NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563391 | 2m4z | 19030 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H GLU 1 1.058 0.894 0.417 2 HA GLU 1 HA GLU 1 2.793 0.832 -1.751 3 HB2 GLU 1 1HB GLU 1 3.224 0.432 0.784 4 HB3 GLU 1 2HB GLU 1 2.917 -1.256 0.401 5 HG2 GLU 1 1HG GLU 1 5.273 -0.872 0.354 6 HG3 GLU 1 2HG GLU 1 4.715 -1.156 -1.293 7 H CYS 2 H CYS 2 3.069 -0.473 -3.454 8 HA CYS 2 HA CYS 2 1.098 -2.479 -4.016 9 HB2 CYS 2 1HB CYS 2 3.589 -2.078 -5.645 10 HB3 CYS 2 2HB CYS 2 1.977 -2.538 -6.183 11 H LEU 3 H LEU 3 1.228 -4.617 -3.742 12 HA LEU 3 HA LEU 3 3.796 -5.727 -2.826 13 HB2 LEU 3 1HB LEU 3 1.348 -7.298 -2.402 14 HB3 LEU 3 2HB LEU 3 2.710 -7.005 -1.323 15 HG LEU 3 HG LEU 3 0.790 -4.782 -1.817 16 HD11 LEU 3 1HD1 LEU 3 -0.702 -5.585 -0.089 17 HD12 LEU 3 2HD1 LEU 3 0.248 -7.060 0.083 18 HD13 LEU 3 3HD1 LEU 3 -0.632 -6.748 -1.413 19 HD21 LEU 3 3HD2 LEU 3 1.707 -5.418 0.884 20 HD22 LEU 3 1HD2 LEU 3 1.749 -3.894 -0.001 21 HD23 LEU 3 2HD2 LEU 3 3.014 -5.096 -0.256 22 H GLU 4 H GLU 4 4.618 -6.197 -4.878 23 HA GLU 4 HA GLU 4 3.089 -7.991 -6.596 24 HB2 GLU 4 1HB GLU 4 4.699 -7.547 -8.287 25 HB3 GLU 4 2HB GLU 4 4.363 -6.009 -7.504 26 HG2 GLU 4 1HG GLU 4 6.443 -6.674 -6.042 27 HG3 GLU 4 2HG GLU 4 6.822 -7.673 -7.443 28 H ILE 5 H ILE 5 5.547 -8.096 -4.224 29 HA ILE 5 HA ILE 5 6.829 -10.497 -5.118 30 HB ILE 5 HB ILE 5 8.048 -8.954 -3.699 31 HG12 ILE 5 1HG1 ILE 5 8.950 -10.533 -2.096 32 HG13 ILE 5 2HG1 ILE 5 7.482 -11.500 -2.167 33 HG21 ILE 5 1HG2 ILE 5 6.296 -7.984 -2.403 34 HG22 ILE 5 2HG2 ILE 5 5.895 -9.540 -1.678 35 HG23 ILE 5 3HG2 ILE 5 7.422 -8.751 -1.284 36 HD11 ILE 5 3HD1 ILE 5 9.284 -12.526 -3.428 37 HD12 ILE 5 1HD1 ILE 5 7.957 -12.057 -4.489 38 HD13 ILE 5 2HD1 ILE 5 9.423 -11.079 -4.426 39 H PHE 6 H PHE 6 3.923 -9.797 -3.481 40 HA PHE 6 HA PHE 6 2.272 -11.505 -3.236 41 HB2 PHE 6 1HB PHE 6 2.801 -13.725 -3.029 42 HB3 PHE 6 2HB PHE 6 4.275 -13.160 -3.809 43 HD1 PHE 6 HD2 PHE 6 5.460 -11.764 -1.389 44 HD2 PHE 6 HD1 PHE 6 3.675 -15.595 -1.892 45 HE1 PHE 6 HE2 PHE 6 6.787 -12.626 0.495 46 HE2 PHE 6 HE1 PHE 6 4.999 -16.463 -0.008 47 HZ PHE 6 HZ PHE 6 6.558 -14.979 1.188 48 H LYS 7 H LYS 7 3.438 -9.416 -1.551 49 HA LYS 7 HA LYS 7 3.555 -10.390 1.136 50 HB2 LYS 7 1HB LYS 7 4.147 -7.974 -0.197 51 HB3 LYS 7 2HB LYS 7 2.916 -7.587 0.998 52 HG2 LYS 7 1HG LYS 7 5.150 -7.279 1.901 53 HG3 LYS 7 2HG LYS 7 4.295 -8.568 2.752 54 HD2 LYS 7 1HD LYS 7 5.614 -10.226 1.837 55 HD3 LYS 7 2HD LYS 7 6.046 -9.251 0.431 56 HE2 LYS 7 1HE LYS 7 6.962 -8.610 3.226 57 HE3 LYS 7 2HE LYS 7 7.882 -9.633 2.123 58 HZ1 LYS 7 3HZ LYS 7 8.109 -6.953 2.297 59 HZ2 LYS 7 1HZ LYS 7 7.061 -7.120 0.980 60 HZ3 LYS 7 2HZ LYS 7 8.573 -7.875 0.957 61 H ALA 8 H ALA 8 2.026 -10.219 2.765 62 HA ALA 8 HA ALA 8 -0.600 -10.777 2.212 63 HB1 ALA 8 1HB ALA 8 0.747 -9.631 4.620 64 HB2 ALA 8 2HB ALA 8 -1.008 -9.805 4.588 65 HB3 ALA 8 3HB ALA 8 0.022 -11.223 4.390 66 H CYS 9 H CYS 9 -2.072 -9.638 1.150 67 HA CYS 9 HA CYS 9 -1.915 -6.734 1.079 68 HB2 CYS 9 1HB CYS 9 -2.848 -6.926 -0.950 69 HB3 CYS 9 2HB CYS 9 -2.674 -8.669 -0.773 70 H ASN 10 H ASN 10 -3.590 -5.349 1.702 71 HA ASN 10 HA ASN 10 -5.209 -6.371 3.888 72 HB2 ASN 10 1HB ASN 10 -4.401 -3.655 2.930 73 HB3 ASN 10 2HB ASN 10 -5.834 -3.806 3.943 74 HD21 ASN 10 2HD2 ASN 10 -3.109 -2.635 4.369 75 HD22 ASN 10 1HD2 ASN 10 -2.557 -3.347 5.843 76 HA PRO 11 HA PRO 11 -8.996 -6.624 1.676 77 HB2 PRO 11 1HB PRO 11 -10.761 -6.063 3.661 78 HB3 PRO 11 2HB PRO 11 -9.879 -7.592 3.563 79 HG2 PRO 11 1HG PRO 11 -9.301 -5.175 5.232 80 HG3 PRO 11 2HG PRO 11 -9.237 -6.889 5.685 81 HD2 PRO 11 1HD PRO 11 -7.020 -5.460 5.072 82 HD3 PRO 11 2HD PRO 11 -7.165 -7.195 4.724 83 H SER 12 H SER 12 -8.725 -3.795 3.821 84 HA SER 12 HA SER 12 -10.343 -2.252 1.915 85 HB2 SER 12 1HB SER 12 -11.214 -2.164 4.164 86 HB3 SER 12 2HB SER 12 -9.632 -1.725 4.809 87 HG SER 12 HG SER 12 -11.479 -0.176 3.393 88 H ASN 13 H ASN 13 -7.350 -2.067 3.819 89 HA ASN 13 HA ASN 13 -6.431 0.361 2.727 90 HB2 ASN 13 1HB ASN 13 -5.331 -1.791 4.399 91 HB3 ASN 13 2HB ASN 13 -4.130 -0.963 3.412 92 HD21 ASN 13 2HD2 ASN 13 -3.764 1.241 3.733 93 HD22 ASN 13 1HD2 ASN 13 -4.253 2.040 5.184 94 H ASP 14 H ASP 14 -6.586 0.384 0.504 95 HA ASP 14 HA ASP 14 -5.822 -1.602 -1.272 96 HB2 ASP 14 1HB ASP 14 -5.726 1.401 -1.623 97 HB3 ASP 14 2HB ASP 14 -5.572 0.238 -2.938 98 H GLN 15 H GLN 15 -3.921 -2.616 -1.254 99 HA GLN 15 HA GLN 15 -1.476 -1.051 -0.825 100 HB2 GLN 15 1HB GLN 15 -1.793 -4.055 -0.807 101 HB3 GLN 15 2HB GLN 15 -0.385 -3.138 -0.290 102 HG2 GLN 15 1HG GLN 15 -2.168 -2.058 1.350 103 HG3 GLN 15 2HG GLN 15 -2.957 -3.613 1.094 104 HE21 GLN 15 2HE2 GLN 15 -0.366 -1.942 2.587 105 HE22 GLN 15 1HE2 GLN 15 0.315 -3.289 3.427 106 H CYS 16 H CYS 16 -2.345 -3.932 -2.742 107 HA CYS 16 HA CYS 16 -0.373 -3.937 -4.587 108 HB2 CYS 16 1HB CYS 16 -3.201 -4.294 -5.535 109 HB3 CYS 16 2HB CYS 16 -1.759 -5.196 -5.990 110 H CYS 17 H CYS 17 -0.007 -3.043 -6.648 111 HA CYS 17 HA CYS 17 -0.590 -0.275 -6.858 112 HB2 CYS 17 1HB CYS 17 1.025 -2.243 -8.286 113 HB3 CYS 17 2HB CYS 17 0.300 -1.054 -9.363 114 H LYS 18 H LYS 18 -1.191 0.366 -9.364 115 HA LYS 18 HA LYS 18 -3.953 -0.559 -9.630 116 HB2 LYS 18 1HB LYS 18 -2.467 1.900 -10.436 117 HB3 LYS 18 2HB LYS 18 -3.879 1.437 -11.376 118 HG2 LYS 18 1HG LYS 18 -4.515 3.017 -9.679 119 HG3 LYS 18 2HG LYS 18 -5.224 1.442 -9.313 120 HD2 LYS 18 1HD LYS 18 -3.713 1.046 -7.564 121 HD3 LYS 18 2HD LYS 18 -2.608 2.307 -8.116 122 HE2 LYS 18 1HE LYS 18 -5.396 2.959 -7.222 123 HE3 LYS 18 2HE LYS 18 -4.085 2.776 -6.058 124 HZ1 LYS 18 3HZ LYS 18 -3.196 4.727 -6.641 125 HZ2 LYS 18 1HZ LYS 18 -4.708 5.067 -7.319 126 HZ3 LYS 18 2HZ LYS 18 -3.456 4.485 -8.295 127 H SER 19 H SER 19 -1.720 0.634 -12.114 128 HA SER 19 HA SER 19 -2.726 -0.995 -14.148 129 HB2 SER 19 1HB SER 19 -0.129 0.494 -13.819 130 HB3 SER 19 2HB SER 19 -0.454 -0.470 -15.260 131 HG SER 19 HG SER 19 -1.516 1.196 -15.946 132 H SER 20 H SER 20 -0.456 -1.663 -11.638 133 HA SER 20 HA SER 20 0.999 -3.765 -12.768 134 HB2 SER 20 1HB SER 20 0.155 -3.495 -9.873 135 HB3 SER 20 2HB SER 20 1.517 -4.432 -10.489 136 HG SER 20 HG SER 20 2.340 -2.378 -11.295 137 H LYS 21 H LYS 21 0.766 -6.028 -12.617 138 HA LYS 21 HA LYS 21 -1.986 -6.913 -12.812 139 HB2 LYS 21 1HB LYS 21 0.678 -8.194 -13.363 140 HB3 LYS 21 2HB LYS 21 -0.797 -9.152 -13.321 141 HG2 LYS 21 1HG LYS 21 -0.755 -8.693 -15.534 142 HG3 LYS 21 2HG LYS 21 -1.611 -7.248 -14.990 143 HD2 LYS 21 1HD LYS 21 0.040 -6.384 -16.377 144 HD3 LYS 21 2HD LYS 21 0.750 -6.217 -14.769 145 HE2 LYS 21 1HE LYS 21 2.477 -7.108 -16.066 146 HE3 LYS 21 2HE LYS 21 1.818 -8.503 -15.213 147 HZ1 LYS 21 3HZ LYS 21 1.694 -9.419 -17.227 148 HZ2 LYS 21 1HZ LYS 21 1.880 -7.941 -18.030 149 HZ3 LYS 21 2HZ LYS 21 0.352 -8.422 -17.487 150 H LEU 22 H LEU 22 0.532 -6.903 -10.485 151 HA LEU 22 HA LEU 22 0.275 -9.104 -8.958 152 HB2 LEU 22 1HB LEU 22 0.103 -6.998 -7.103 153 HB3 LEU 22 2HB LEU 22 1.542 -7.863 -7.636 154 HG LEU 22 HG LEU 22 0.533 -5.552 -9.239 155 HD11 LEU 22 1HD1 LEU 22 2.309 -5.287 -6.820 156 HD12 LEU 22 2HD1 LEU 22 0.613 -4.806 -6.879 157 HD13 LEU 22 3HD1 LEU 22 1.795 -3.999 -7.910 158 HD21 LEU 22 3HD2 LEU 22 2.329 -6.201 -10.393 159 HD22 LEU 22 1HD2 LEU 22 2.909 -7.225 -9.079 160 HD23 LEU 22 2HD2 LEU 22 3.281 -5.500 -9.083 161 H VAL 23 H VAL 23 -1.561 -10.206 -8.638 162 HA VAL 23 HA VAL 23 -3.965 -8.756 -7.783 163 HB VAL 23 HB VAL 23 -4.266 -10.248 -9.693 164 HG11 VAL 23 1HG1 VAL 23 -4.077 -12.775 -8.327 165 HG12 VAL 23 2HG1 VAL 23 -3.323 -12.256 -9.835 166 HG13 VAL 23 3HG1 VAL 23 -2.529 -11.931 -8.294 167 HG21 VAL 23 3HG2 VAL 23 -5.597 -11.354 -7.221 168 HG22 VAL 23 1HG2 VAL 23 -6.110 -9.906 -8.088 169 HG23 VAL 23 2HG2 VAL 23 -6.184 -11.481 -8.879 170 H CYS 24 H CYS 24 -5.102 -9.331 -5.926 171 HA CYS 24 HA CYS 24 -3.622 -11.028 -4.024 172 HB2 CYS 24 1HB CYS 24 -3.386 -9.019 -2.964 173 HB3 CYS 24 2HB CYS 24 -4.817 -8.329 -3.724 174 H SER 25 H SER 25 -6.708 -10.111 -5.358 175 HA SER 25 HA SER 25 -8.308 -11.613 -3.535 176 HB2 SER 25 1HB SER 25 -9.457 -9.886 -4.646 177 HB3 SER 25 2HB SER 25 -8.820 -10.355 -6.222 178 HG SER 25 HG SER 25 -10.793 -11.200 -6.280 179 H ARG 26 H ARG 26 -7.446 -12.172 -6.952 180 HA ARG 26 HA ARG 26 -8.543 -14.626 -7.365 181 HB2 ARG 26 1HB ARG 26 -5.958 -13.440 -8.328 182 HB3 ARG 26 2HB ARG 26 -6.432 -15.064 -8.809 183 HG2 ARG 26 1HG ARG 26 -8.600 -14.047 -9.622 184 HG3 ARG 26 2HG ARG 26 -7.834 -12.474 -9.393 185 HD2 ARG 26 1HD ARG 26 -7.343 -12.868 -11.598 186 HD3 ARG 26 2HD ARG 26 -5.916 -13.551 -10.820 187 HE ARG 26 HE ARG 26 -7.544 -15.679 -10.994 188 HH11 ARG 26 1HH1 ARG 26 -6.560 -13.289 -13.325 189 HH12 ARG 26 2HH1 ARG 26 -6.681 -14.367 -14.676 190 HH21 ARG 26 1HH2 ARG 26 -7.707 -17.109 -12.764 191 HH22 ARG 26 2HH2 ARG 26 -7.334 -16.539 -14.356 192 H LYS 27 H LYS 27 -5.253 -14.093 -6.094 193 HA LYS 27 HA LYS 27 -5.176 -16.873 -5.194 194 HB2 LYS 27 1HB LYS 27 -3.263 -15.278 -6.345 195 HB3 LYS 27 2HB LYS 27 -2.841 -15.182 -4.640 196 HG2 LYS 27 1HG LYS 27 -1.634 -17.014 -5.165 197 HG3 LYS 27 2HG LYS 27 -3.168 -17.821 -4.834 198 HD2 LYS 27 1HD LYS 27 -2.441 -16.859 -7.587 199 HD3 LYS 27 2HD LYS 27 -1.943 -18.445 -6.992 200 HE2 LYS 27 1HE LYS 27 -4.790 -17.456 -7.111 201 HE3 LYS 27 2HE LYS 27 -4.038 -18.509 -8.307 202 HZ1 LYS 27 3HZ LYS 27 -4.595 -20.227 -7.051 203 HZ2 LYS 27 1HZ LYS 27 -5.236 -19.210 -5.862 204 HZ3 LYS 27 2HZ LYS 27 -3.604 -19.650 -5.807 205 H THR 28 H THR 28 -3.485 -16.721 -3.050 206 HA THR 28 HA THR 28 -5.164 -16.319 -0.896 207 HB THR 28 HB THR 28 -2.359 -15.797 -0.236 208 HG1 THR 28 HG1 THR 28 -3.010 -18.241 -1.550 209 HG21 THR 28 3HG2 THR 28 -3.078 -16.832 1.599 210 HG22 THR 28 1HG2 THR 28 -3.303 -18.317 0.675 211 HG23 THR 28 2HG2 THR 28 -4.625 -17.158 0.819 212 H ARG 29 H ARG 29 -4.537 -14.774 0.999 213 HA ARG 29 HA ARG 29 -5.319 -12.211 0.364 214 HB2 ARG 29 1HB ARG 29 -4.483 -11.554 2.588 215 HB3 ARG 29 2HB ARG 29 -5.386 -13.062 2.639 216 HG2 ARG 29 1HG ARG 29 -2.510 -13.412 2.254 217 HG3 ARG 29 2HG ARG 29 -2.952 -12.646 3.781 218 HD2 ARG 29 1HD ARG 29 -4.475 -15.050 2.923 219 HD3 ARG 29 2HD ARG 29 -2.830 -15.278 3.517 220 HE ARG 29 HE ARG 29 -4.496 -13.658 5.222 221 HH11 ARG 29 1HH1 ARG 29 -3.441 -16.882 4.440 222 HH12 ARG 29 2HH1 ARG 29 -3.807 -17.523 6.008 223 HH21 ARG 29 1HH2 ARG 29 -4.982 -14.489 7.290 224 HH22 ARG 29 2HH2 ARG 29 -4.685 -16.161 7.627 225 H ALA 30 H ALA 30 -2.221 -13.649 0.004 226 HA ALA 30 HA ALA 30 -0.677 -11.246 0.024 227 HB1 ALA 30 1HB ALA 30 0.850 -12.965 -1.395 228 HB2 ALA 30 2HB ALA 30 0.772 -12.933 0.367 229 HB3 ALA 30 3HB ALA 30 -0.200 -14.093 -0.538 230 H CYS 31 H CYS 31 -0.018 -9.966 -1.649 231 HA CYS 31 HA CYS 31 -1.474 -10.308 -4.171 232 HB2 CYS 31 1HB CYS 31 -1.274 -8.114 -2.601 233 HB3 CYS 31 2HB CYS 31 0.076 -7.832 -3.695 234 H LYS 32 H LYS 32 -0.428 -11.171 -5.824 235 HA LYS 32 HA LYS 32 2.355 -10.440 -6.313 236 HB2 LYS 32 1HB LYS 32 3.183 -12.620 -6.429 237 HB3 LYS 32 2HB LYS 32 2.163 -12.650 -4.997 238 HG2 LYS 32 1HG LYS 32 0.390 -13.392 -6.907 239 HG3 LYS 32 2HG LYS 32 1.888 -14.075 -7.544 240 HD2 LYS 32 1HD LYS 32 1.382 -14.484 -4.661 241 HD3 LYS 32 2HD LYS 32 0.315 -15.346 -5.773 242 HE2 LYS 32 1HE LYS 32 2.357 -16.198 -6.938 243 HE3 LYS 32 2HE LYS 32 3.325 -15.473 -5.655 244 HZ1 LYS 32 3HZ LYS 32 2.939 -17.803 -5.217 245 HZ2 LYS 32 1HZ LYS 32 1.263 -17.582 -5.303 246 HZ3 LYS 32 2HZ LYS 32 2.148 -16.866 -4.052 247 H TYR 33 H TYR 33 3.006 -10.647 -8.483 248 HA TYR 33 HA TYR 33 1.081 -10.075 -10.406 249 HB2 TYR 33 1HB TYR 33 2.828 -10.222 -12.024 250 HB3 TYR 33 2HB TYR 33 3.562 -9.616 -10.544 251 HD1 TYR 33 HD2 TYR 33 4.980 -11.119 -9.167 252 HD2 TYR 33 HD1 TYR 33 3.483 -12.313 -12.966 253 HE1 TYR 33 HE2 TYR 33 6.641 -12.931 -9.245 254 HE2 TYR 33 HE1 TYR 33 5.139 -14.130 -13.055 255 HH TYR 33 HH TYR 33 7.457 -14.632 -10.407 256 H GLN 34 H GLN 34 0.072 -11.255 -12.006 257 HA GLN 34 HA GLN 34 -0.435 -14.010 -11.394 258 HB2 GLN 34 1HB GLN 34 -2.210 -12.518 -12.217 259 HB3 GLN 34 2HB GLN 34 -1.351 -12.337 -13.740 260 HG2 GLN 34 1HG GLN 34 -1.618 -14.730 -14.171 261 HG3 GLN 34 2HG GLN 34 -2.497 -14.898 -12.652 262 HE21 GLN 34 2HE2 GLN 34 -3.263 -15.332 -15.502 263 HE22 GLN 34 1HE2 GLN 34 -4.705 -14.406 -15.719 264 H ILE 35 H ILE 35 0.670 -15.701 -12.105 265 HA ILE 35 HA ILE 35 2.928 -15.595 -13.691 266 HB ILE 35 HB ILE 35 2.743 -18.020 -13.945 267 HG12 ILE 35 1HG1 ILE 35 0.013 -17.723 -12.676 268 HG13 ILE 35 2HG1 ILE 35 0.294 -18.077 -14.377 269 HG21 ILE 35 1HG2 ILE 35 1.870 -18.045 -11.230 270 HG22 ILE 35 2HG2 ILE 35 3.509 -18.158 -11.869 271 HG23 ILE 35 3HG2 ILE 35 2.806 -16.579 -11.520 272 HD11 ILE 35 3HD1 ILE 35 1.712 -20.058 -13.288 273 HD12 ILE 35 1HD1 ILE 35 0.518 -19.821 -12.012 274 HD13 ILE 35 2HD1 ILE 35 -0.008 -20.188 -13.655 Start of MODEL 2 1 H1 GLU 1 H GLU 1 1.814 0.046 1.033 2 HA GLU 1 HA GLU 1 1.978 0.961 -1.599 3 HB2 GLU 1 1HB GLU 1 3.798 -0.592 0.192 4 HB3 GLU 1 2HB GLU 1 4.210 -0.445 -1.511 5 HG2 GLU 1 1HG GLU 1 4.603 1.801 -1.370 6 HG3 GLU 1 2HG GLU 1 3.511 2.018 -0.003 7 H CYS 2 H CYS 2 3.013 -0.461 -3.388 8 HA CYS 2 HA CYS 2 1.084 -2.475 -4.051 9 HB2 CYS 2 1HB CYS 2 3.615 -2.004 -5.598 10 HB3 CYS 2 2HB CYS 2 2.027 -2.475 -6.193 11 H LEU 3 H LEU 3 1.218 -4.609 -3.784 12 HA LEU 3 HA LEU 3 3.781 -5.724 -2.862 13 HB2 LEU 3 1HB LEU 3 1.339 -7.311 -2.479 14 HB3 LEU 3 2HB LEU 3 2.688 -7.021 -1.383 15 HG LEU 3 HG LEU 3 0.744 -4.815 -1.875 16 HD11 LEU 3 1HD1 LEU 3 -0.997 -5.796 -0.907 17 HD12 LEU 3 2HD1 LEU 3 0.001 -6.426 0.403 18 HD13 LEU 3 3HD1 LEU 3 -0.151 -7.331 -1.103 19 HD21 LEU 3 3HD2 LEU 3 1.675 -5.448 0.823 20 HD22 LEU 3 1HD2 LEU 3 1.682 -3.917 -0.053 21 HD23 LEU 3 2HD2 LEU 3 2.972 -5.091 -0.318 22 H GLU 4 H GLU 4 4.622 -6.162 -4.914 23 HA GLU 4 HA GLU 4 3.113 -7.940 -6.667 24 HB2 GLU 4 1HB GLU 4 4.706 -7.448 -8.347 25 HB3 GLU 4 2HB GLU 4 4.400 -5.927 -7.519 26 HG2 GLU 4 1HG GLU 4 6.468 -6.508 -6.116 27 HG3 GLU 4 2HG GLU 4 6.814 -7.690 -7.377 28 H ILE 5 H ILE 5 5.553 -8.064 -4.279 29 HA ILE 5 HA ILE 5 6.843 -10.455 -5.200 30 HB ILE 5 HB ILE 5 8.069 -8.920 -3.778 31 HG12 ILE 5 1HG1 ILE 5 8.975 -10.508 -2.184 32 HG13 ILE 5 2HG1 ILE 5 7.506 -11.475 -2.257 33 HG21 ILE 5 1HG2 ILE 5 5.658 -8.845 -2.307 34 HG22 ILE 5 2HG2 ILE 5 6.914 -9.451 -1.228 35 HG23 ILE 5 3HG2 ILE 5 7.126 -7.903 -2.046 36 HD11 ILE 5 3HD1 ILE 5 9.334 -12.474 -3.526 37 HD12 ILE 5 1HD1 ILE 5 7.974 -12.046 -4.564 38 HD13 ILE 5 2HD1 ILE 5 9.417 -11.032 -4.538 39 H PHE 6 H PHE 6 3.947 -9.764 -3.539 40 HA PHE 6 HA PHE 6 2.297 -11.477 -3.300 41 HB2 PHE 6 1HB PHE 6 2.831 -13.694 -3.128 42 HB3 PHE 6 2HB PHE 6 4.318 -13.123 -3.878 43 HD1 PHE 6 HD2 PHE 6 5.543 -11.785 -1.489 44 HD2 PHE 6 HD1 PHE 6 3.608 -15.550 -1.933 45 HE1 PHE 6 HE2 PHE 6 6.838 -12.671 0.407 46 HE2 PHE 6 HE1 PHE 6 4.899 -16.441 -0.037 47 HZ PHE 6 HZ PHE 6 6.518 -15.002 1.134 48 H LYS 7 H LYS 7 3.424 -9.388 -1.616 49 HA LYS 7 HA LYS 7 3.557 -10.383 1.070 50 HB2 LYS 7 1HB LYS 7 4.430 -8.110 -0.112 51 HB3 LYS 7 2HB LYS 7 2.946 -7.523 0.626 52 HG2 LYS 7 1HG LYS 7 4.429 -7.123 2.310 53 HG3 LYS 7 2HG LYS 7 3.894 -8.748 2.746 54 HD2 LYS 7 1HD LYS 7 5.854 -9.718 1.739 55 HD3 LYS 7 2HD LYS 7 6.356 -8.148 1.108 56 HE2 LYS 7 1HE LYS 7 7.661 -8.230 2.974 57 HE3 LYS 7 2HE LYS 7 6.220 -7.489 3.669 58 HZ1 LYS 7 3HZ LYS 7 6.270 -10.391 3.668 59 HZ2 LYS 7 1HZ LYS 7 5.751 -9.315 4.867 60 HZ3 LYS 7 2HZ LYS 7 7.400 -9.644 4.682 61 H ALA 8 H ALA 8 2.004 -10.388 2.635 62 HA ALA 8 HA ALA 8 -0.620 -10.839 2.066 63 HB1 ALA 8 1HB ALA 8 -0.566 -11.279 4.239 64 HB2 ALA 8 2HB ALA 8 0.913 -10.336 4.431 65 HB3 ALA 8 3HB ALA 8 -0.659 -9.547 4.560 66 H CYS 9 H CYS 9 -2.056 -9.633 1.027 67 HA CYS 9 HA CYS 9 -1.870 -6.730 1.102 68 HB2 CYS 9 1HB CYS 9 -2.735 -6.828 -0.959 69 HB3 CYS 9 2HB CYS 9 -2.639 -8.582 -0.847 70 H ASN 10 H ASN 10 -3.582 -5.364 1.716 71 HA ASN 10 HA ASN 10 -5.236 -6.474 3.838 72 HB2 ASN 10 1HB ASN 10 -4.329 -3.749 3.049 73 HB3 ASN 10 2HB ASN 10 -5.851 -3.876 3.925 74 HD21 ASN 10 2HD2 ASN 10 -5.200 -3.000 5.819 75 HD22 ASN 10 1HD2 ASN 10 -4.008 -3.706 6.851 76 HA PRO 11 HA PRO 11 -8.979 -6.608 1.540 77 HB2 PRO 11 1HB PRO 11 -10.781 -6.132 3.514 78 HB3 PRO 11 2HB PRO 11 -9.903 -7.658 3.362 79 HG2 PRO 11 1HG PRO 11 -9.349 -5.325 5.154 80 HG3 PRO 11 2HG PRO 11 -9.301 -7.058 5.527 81 HD2 PRO 11 1HD PRO 11 -7.066 -5.613 5.026 82 HD3 PRO 11 2HD PRO 11 -7.210 -7.329 4.594 83 H SER 12 H SER 12 -8.714 -3.877 3.808 84 HA SER 12 HA SER 12 -10.351 -2.250 1.997 85 HB2 SER 12 1HB SER 12 -9.670 -2.081 4.907 86 HB3 SER 12 2HB SER 12 -10.105 -0.606 4.045 87 HG SER 12 HG SER 12 -12.082 -1.227 4.346 88 H ASN 13 H ASN 13 -7.265 -2.174 3.753 89 HA ASN 13 HA ASN 13 -6.368 0.267 2.632 90 HB2 ASN 13 1HB ASN 13 -5.518 -1.169 4.704 91 HB3 ASN 13 2HB ASN 13 -4.400 -1.801 3.498 92 HD21 ASN 13 2HD2 ASN 13 -4.850 0.530 5.777 93 HD22 ASN 13 1HD2 ASN 13 -3.684 1.685 5.237 94 H ASP 14 H ASP 14 -6.599 0.226 0.408 95 HA ASP 14 HA ASP 14 -5.855 -1.795 -1.337 96 HB2 ASP 14 1HB ASP 14 -7.130 -0.007 -2.219 97 HB3 ASP 14 2HB ASP 14 -5.966 1.198 -1.673 98 H GLN 15 H GLN 15 -3.936 -2.794 -1.204 99 HA GLN 15 HA GLN 15 -1.503 -1.209 -0.869 100 HB2 GLN 15 1HB GLN 15 -2.100 -4.152 -0.668 101 HB3 GLN 15 2HB GLN 15 -0.450 -3.548 -0.732 102 HG2 GLN 15 1HG GLN 15 -1.306 -2.013 1.233 103 HG3 GLN 15 2HG GLN 15 -2.477 -3.317 1.422 104 HE21 GLN 15 2HE2 GLN 15 0.791 -2.334 1.802 105 HE22 GLN 15 1HE2 GLN 15 1.366 -3.771 2.569 106 H CYS 16 H CYS 16 -2.414 -4.019 -2.873 107 HA CYS 16 HA CYS 16 -0.468 -4.001 -4.737 108 HB2 CYS 16 1HB CYS 16 -3.316 -4.232 -5.667 109 HB3 CYS 16 2HB CYS 16 -1.906 -5.150 -6.186 110 H CYS 17 H CYS 17 -0.017 -2.987 -6.696 111 HA CYS 17 HA CYS 17 -0.557 -0.213 -6.805 112 HB2 CYS 17 1HB CYS 17 1.050 -2.140 -8.276 113 HB3 CYS 17 2HB CYS 17 0.334 -0.935 -9.341 114 H LYS 18 H LYS 18 -1.120 0.556 -9.282 115 HA LYS 18 HA LYS 18 -3.917 -0.201 -9.572 116 HB2 LYS 18 1HB LYS 18 -2.241 2.113 -10.368 117 HB3 LYS 18 2HB LYS 18 -3.588 1.719 -11.428 118 HG2 LYS 18 1HG LYS 18 -4.395 3.323 -9.909 119 HG3 LYS 18 2HG LYS 18 -5.060 1.776 -9.380 120 HD2 LYS 18 1HD LYS 18 -4.321 2.792 -7.405 121 HD3 LYS 18 2HD LYS 18 -3.033 1.656 -7.815 122 HE2 LYS 18 1HE LYS 18 -2.817 4.414 -8.886 123 HE3 LYS 18 2HE LYS 18 -2.559 4.196 -7.156 124 HZ1 LYS 18 3HZ LYS 18 -0.955 3.252 -9.407 125 HZ2 LYS 18 1HZ LYS 18 -1.036 2.256 -8.042 126 HZ3 LYS 18 2HZ LYS 18 -0.462 3.840 -7.900 127 H SER 19 H SER 19 -1.755 0.798 -12.175 128 HA SER 19 HA SER 19 -2.865 -0.931 -14.069 129 HB2 SER 19 1HB SER 19 -0.219 0.519 -13.974 130 HB3 SER 19 2HB SER 19 -0.720 -0.441 -15.367 131 HG SER 19 HG SER 19 -2.717 0.939 -15.211 132 H SER 20 H SER 20 -0.580 -1.520 -11.590 133 HA SER 20 HA SER 20 0.950 -3.591 -12.633 134 HB2 SER 20 1HB SER 20 1.427 -4.216 -10.371 135 HB3 SER 20 2HB SER 20 1.239 -2.462 -10.388 136 HG SER 20 HG SER 20 -1.069 -3.027 -9.829 137 H LYS 21 H LYS 21 0.765 -5.859 -12.534 138 HA LYS 21 HA LYS 21 -1.962 -6.804 -12.860 139 HB2 LYS 21 1HB LYS 21 0.698 -8.186 -13.257 140 HB3 LYS 21 2HB LYS 21 -0.866 -8.915 -13.598 141 HG2 LYS 21 1HG LYS 21 -1.281 -7.450 -15.386 142 HG3 LYS 21 2HG LYS 21 0.017 -6.358 -14.897 143 HD2 LYS 21 1HD LYS 21 1.651 -7.679 -15.792 144 HD3 LYS 21 2HD LYS 21 0.739 -9.169 -15.534 145 HE2 LYS 21 1HE LYS 21 -0.839 -8.296 -17.348 146 HE3 LYS 21 2HE LYS 21 0.431 -7.132 -17.721 147 HZ1 LYS 21 3HZ LYS 21 1.752 -8.717 -18.601 148 HZ2 LYS 21 1HZ LYS 21 0.280 -9.508 -18.863 149 HZ3 LYS 21 2HZ LYS 21 1.237 -9.923 -17.532 150 H LEU 22 H LEU 22 0.546 -6.868 -10.503 151 HA LEU 22 HA LEU 22 0.268 -9.132 -9.071 152 HB2 LEU 22 1HB LEU 22 0.138 -7.175 -7.096 153 HB3 LEU 22 2HB LEU 22 1.586 -7.927 -7.761 154 HG LEU 22 HG LEU 22 0.441 -5.557 -9.158 155 HD11 LEU 22 1HD1 LEU 22 2.103 -5.408 -6.648 156 HD12 LEU 22 2HD1 LEU 22 0.429 -4.882 -6.821 157 HD13 LEU 22 3HD1 LEU 22 1.709 -4.054 -7.707 158 HD21 LEU 22 3HD2 LEU 22 2.283 -5.997 -10.335 159 HD22 LEU 22 1HD2 LEU 22 2.908 -7.093 -9.102 160 HD23 LEU 22 2HD2 LEU 22 3.185 -5.357 -8.960 161 H VAL 23 H VAL 23 -1.521 -10.252 -8.655 162 HA VAL 23 HA VAL 23 -3.961 -8.822 -7.871 163 HB VAL 23 HB VAL 23 -4.184 -10.401 -9.737 164 HG11 VAL 23 1HG1 VAL 23 -4.070 -12.875 -8.320 165 HG12 VAL 23 2HG1 VAL 23 -3.155 -12.368 -9.742 166 HG13 VAL 23 3HG1 VAL 23 -2.533 -12.032 -8.126 167 HG21 VAL 23 3HG2 VAL 23 -5.594 -11.485 -7.305 168 HG22 VAL 23 1HG2 VAL 23 -6.040 -9.975 -8.100 169 HG23 VAL 23 2HG2 VAL 23 -6.155 -11.501 -8.977 170 H CYS 24 H CYS 24 -5.085 -9.324 -5.995 171 HA CYS 24 HA CYS 24 -3.605 -10.949 -4.030 172 HB2 CYS 24 1HB CYS 24 -3.376 -8.895 -3.051 173 HB3 CYS 24 2HB CYS 24 -4.819 -8.246 -3.825 174 H SER 25 H SER 25 -6.693 -10.083 -5.398 175 HA SER 25 HA SER 25 -8.280 -11.548 -3.527 176 HB2 SER 25 1HB SER 25 -9.031 -9.626 -5.067 177 HB3 SER 25 2HB SER 25 -9.129 -10.849 -6.334 178 HG SER 25 HG SER 25 -10.701 -10.506 -4.056 179 H ARG 26 H ARG 26 -7.478 -12.149 -6.953 180 HA ARG 26 HA ARG 26 -8.570 -14.633 -7.271 181 HB2 ARG 26 1HB ARG 26 -6.013 -13.489 -8.382 182 HB3 ARG 26 2HB ARG 26 -6.631 -15.059 -8.876 183 HG2 ARG 26 1HG ARG 26 -8.741 -13.934 -9.572 184 HG3 ARG 26 2HG ARG 26 -7.965 -12.387 -9.228 185 HD2 ARG 26 1HD ARG 26 -6.267 -12.822 -10.886 186 HD3 ARG 26 2HD ARG 26 -6.906 -14.442 -11.163 187 HE ARG 26 HE ARG 26 -8.875 -12.438 -11.627 188 HH11 ARG 26 1HH1 ARG 26 -6.091 -13.991 -13.025 189 HH12 ARG 26 2HH1 ARG 26 -6.577 -13.683 -14.659 190 HH21 ARG 26 1HH2 ARG 26 -9.526 -12.026 -13.774 191 HH22 ARG 26 2HH2 ARG 26 -8.531 -12.564 -15.084 192 H LYS 27 H LYS 27 -5.231 -13.996 -6.191 193 HA LYS 27 HA LYS 27 -4.976 -16.765 -5.321 194 HB2 LYS 27 1HB LYS 27 -2.919 -14.562 -5.136 195 HB3 LYS 27 2HB LYS 27 -2.640 -16.294 -5.014 196 HG2 LYS 27 1HG LYS 27 -3.705 -14.979 -7.497 197 HG3 LYS 27 2HG LYS 27 -1.984 -15.219 -7.190 198 HD2 LYS 27 1HD LYS 27 -2.219 -17.576 -7.189 199 HD3 LYS 27 2HD LYS 27 -3.980 -17.471 -7.116 200 HE2 LYS 27 1HE LYS 27 -2.298 -16.506 -9.426 201 HE3 LYS 27 2HE LYS 27 -3.100 -18.075 -9.361 202 HZ1 LYS 27 3HZ LYS 27 -4.173 -15.731 -10.288 203 HZ2 LYS 27 1HZ LYS 27 -4.904 -15.949 -8.778 204 HZ3 LYS 27 2HZ LYS 27 -5.017 -17.159 -9.954 205 H THR 28 H THR 28 -3.282 -16.557 -3.184 206 HA THR 28 HA THR 28 -4.968 -16.340 -1.009 207 HB THR 28 HB THR 28 -2.180 -15.644 -0.390 208 HG1 THR 28 HG1 THR 28 -2.775 -18.081 -1.750 209 HG21 THR 28 3HG2 THR 28 -4.347 -17.295 0.622 210 HG22 THR 28 1HG2 THR 28 -2.975 -16.589 1.476 211 HG23 THR 28 2HG2 THR 28 -2.798 -18.137 0.649 212 H ARG 29 H ARG 29 -4.465 -14.814 0.924 213 HA ARG 29 HA ARG 29 -5.410 -12.286 0.352 214 HB2 ARG 29 1HB ARG 29 -3.618 -12.966 2.687 215 HB3 ARG 29 2HB ARG 29 -4.802 -11.669 2.603 216 HG2 ARG 29 1HG ARG 29 -5.365 -14.625 2.632 217 HG3 ARG 29 2HG ARG 29 -5.675 -13.470 3.929 218 HD2 ARG 29 1HD ARG 29 -7.124 -12.248 2.171 219 HD3 ARG 29 2HD ARG 29 -7.071 -13.779 1.298 220 HE ARG 29 HE ARG 29 -8.546 -14.642 2.812 221 HH11 ARG 29 1HH1 ARG 29 -7.105 -11.772 4.155 222 HH12 ARG 29 2HH1 ARG 29 -8.134 -11.749 5.549 223 HH21 ARG 29 1HH2 ARG 29 -9.907 -14.624 4.643 224 HH22 ARG 29 2HH2 ARG 29 -9.727 -13.373 5.826 225 H ALA 30 H ALA 30 -2.223 -13.512 -0.000 226 HA ALA 30 HA ALA 30 -0.882 -10.971 0.073 227 HB1 ALA 30 1HB ALA 30 0.772 -12.733 -1.285 228 HB2 ALA 30 2HB ALA 30 0.797 -12.383 0.444 229 HB3 ALA 30 3HB ALA 30 -0.129 -13.755 -0.165 230 H CYS 31 H CYS 31 -0.088 -9.780 -1.655 231 HA CYS 31 HA CYS 31 -1.485 -10.240 -4.191 232 HB2 CYS 31 1HB CYS 31 -1.343 -7.978 -2.725 233 HB3 CYS 31 2HB CYS 31 0.051 -7.741 -3.774 234 H LYS 32 H LYS 32 -0.409 -11.112 -5.821 235 HA LYS 32 HA LYS 32 2.402 -10.436 -6.230 236 HB2 LYS 32 1HB LYS 32 3.211 -12.607 -6.231 237 HB3 LYS 32 2HB LYS 32 2.061 -12.654 -4.902 238 HG2 LYS 32 1HG LYS 32 0.427 -13.410 -6.854 239 HG3 LYS 32 2HG LYS 32 1.950 -13.953 -7.560 240 HD2 LYS 32 1HD LYS 32 1.467 -14.621 -4.713 241 HD3 LYS 32 2HD LYS 32 0.495 -15.474 -5.915 242 HE2 LYS 32 1HE LYS 32 2.760 -15.881 -7.099 243 HE3 LYS 32 2HE LYS 32 3.468 -15.471 -5.538 244 HZ1 LYS 32 3HZ LYS 32 1.594 -17.693 -6.131 245 HZ2 LYS 32 1HZ LYS 32 2.026 -17.229 -4.562 246 HZ3 LYS 32 2HZ LYS 32 3.204 -17.813 -5.625 247 H TYR 33 H TYR 33 3.119 -10.687 -8.376 248 HA TYR 33 HA TYR 33 1.330 -10.047 -10.376 249 HB2 TYR 33 1HB TYR 33 3.151 -10.816 -11.960 250 HB3 TYR 33 2HB TYR 33 3.646 -9.642 -10.747 251 HD1 TYR 33 HD1 TYR 33 3.765 -13.224 -11.661 252 HD2 TYR 33 HD2 TYR 33 5.325 -10.160 -9.154 253 HE1 TYR 33 HE1 TYR 33 5.563 -14.739 -10.939 254 HE2 TYR 33 HE2 TYR 33 7.129 -11.666 -8.426 255 HH TYR 33 HH TYR 33 8.287 -13.651 -9.179 256 H GLN 34 H GLN 34 0.370 -11.189 -12.076 257 HA GLN 34 HA GLN 34 -0.609 -13.773 -11.385 258 HB2 GLN 34 1HB GLN 34 -0.853 -12.243 -13.981 259 HB3 GLN 34 2HB GLN 34 -1.786 -13.668 -13.544 260 HG2 GLN 34 1HG GLN 34 -2.824 -12.466 -11.718 261 HG3 GLN 34 2HG GLN 34 -1.840 -11.046 -12.068 262 HE21 GLN 34 2HE2 GLN 34 -3.960 -10.009 -12.194 263 HE22 GLN 34 1HE2 GLN 34 -4.818 -10.054 -13.693 264 H ILE 35 H ILE 35 0.184 -15.713 -11.864 265 HA ILE 35 HA ILE 35 2.600 -15.901 -13.454 266 HB ILE 35 HB ILE 35 1.090 -18.074 -11.998 267 HG12 ILE 35 1HG1 ILE 35 3.621 -16.671 -11.134 268 HG13 ILE 35 2HG1 ILE 35 2.020 -16.179 -10.590 269 HG21 ILE 35 1HG2 ILE 35 3.737 -18.815 -12.197 270 HG22 ILE 35 2HG2 ILE 35 2.409 -19.430 -13.180 271 HG23 ILE 35 3HG2 ILE 35 3.395 -18.092 -13.768 272 HD11 ILE 35 3HD1 ILE 35 1.942 -17.794 -9.072 273 HD12 ILE 35 1HD1 ILE 35 2.483 -19.015 -10.223 274 HD13 ILE 35 2HD1 ILE 35 3.665 -18.016 -9.376 Start of MODEL 3 1 H1 GLU 1 H GLU 1 1.304 -0.772 0.569 2 HA GLU 1 HA GLU 1 1.907 1.036 -1.595 3 HB2 GLU 1 1HB GLU 1 4.224 -0.005 -1.887 4 HB3 GLU 1 2HB GLU 1 4.040 1.201 -0.622 5 HG2 GLU 1 1HG GLU 1 4.139 -0.387 1.077 6 HG3 GLU 1 2HG GLU 1 3.786 -1.719 -0.022 7 H CYS 2 H CYS 2 3.018 -0.429 -3.436 8 HA CYS 2 HA CYS 2 1.063 -2.448 -4.006 9 HB2 CYS 2 1HB CYS 2 3.556 -2.022 -5.627 10 HB3 CYS 2 2HB CYS 2 1.950 -2.498 -6.171 11 H LEU 3 H LEU 3 1.205 -4.586 -3.738 12 HA LEU 3 HA LEU 3 3.777 -5.684 -2.822 13 HB2 LEU 3 1HB LEU 3 1.394 -7.319 -2.394 14 HB3 LEU 3 2HB LEU 3 2.701 -6.907 -1.286 15 HG LEU 3 HG LEU 3 0.638 -4.847 -1.924 16 HD11 LEU 3 1HD1 LEU 3 -1.026 -5.783 -0.745 17 HD12 LEU 3 2HD1 LEU 3 0.073 -6.532 0.412 18 HD13 LEU 3 3HD1 LEU 3 -0.218 -7.298 -1.149 19 HD21 LEU 3 3HD2 LEU 3 1.506 -5.196 0.820 20 HD22 LEU 3 1HD2 LEU 3 1.573 -3.769 -0.214 21 HD23 LEU 3 2HD2 LEU 3 2.864 -4.970 -0.283 22 H GLU 4 H GLU 4 4.606 -6.146 -4.873 23 HA GLU 4 HA GLU 4 3.087 -7.944 -6.598 24 HB2 GLU 4 1HB GLU 4 4.689 -7.482 -8.288 25 HB3 GLU 4 2HB GLU 4 4.351 -5.949 -7.496 26 HG2 GLU 4 1HG GLU 4 6.485 -6.956 -6.070 27 HG3 GLU 4 2HG GLU 4 6.840 -7.413 -7.735 28 H ILE 5 H ILE 5 5.544 -8.039 -4.225 29 HA ILE 5 HA ILE 5 6.837 -10.434 -5.127 30 HB ILE 5 HB ILE 5 8.054 -8.879 -3.715 31 HG12 ILE 5 1HG1 ILE 5 8.980 -10.454 -2.123 32 HG13 ILE 5 2HG1 ILE 5 7.519 -11.434 -2.187 33 HG21 ILE 5 1HG2 ILE 5 6.358 -7.899 -2.390 34 HG22 ILE 5 2HG2 ILE 5 5.881 -9.458 -1.719 35 HG23 ILE 5 3HG2 ILE 5 7.429 -8.743 -1.271 36 HD11 ILE 5 3HD1 ILE 5 9.330 -12.435 -3.462 37 HD12 ILE 5 1HD1 ILE 5 7.983 -11.988 -4.508 38 HD13 ILE 5 2HD1 ILE 5 9.435 -10.987 -4.463 39 H PHE 6 H PHE 6 3.936 -9.744 -3.477 40 HA PHE 6 HA PHE 6 2.301 -11.477 -3.236 41 HB2 PHE 6 1HB PHE 6 2.860 -13.687 -2.965 42 HB3 PHE 6 2HB PHE 6 4.318 -13.117 -3.770 43 HD1 PHE 6 HD2 PHE 6 5.464 -11.632 -1.363 44 HD2 PHE 6 HD1 PHE 6 3.809 -15.527 -1.821 45 HE1 PHE 6 HE2 PHE 6 6.819 -12.427 0.530 46 HE2 PHE 6 HE1 PHE 6 5.162 -16.328 0.072 47 HZ PHE 6 HZ PHE 6 6.670 -14.778 1.249 48 H LYS 7 H LYS 7 3.465 -9.349 -1.569 49 HA LYS 7 HA LYS 7 3.566 -10.264 1.131 50 HB2 LYS 7 1HB LYS 7 4.345 -7.983 -0.117 51 HB3 LYS 7 2HB LYS 7 2.851 -7.441 0.635 52 HG2 LYS 7 1HG LYS 7 4.398 -6.948 2.257 53 HG3 LYS 7 2HG LYS 7 3.842 -8.542 2.773 54 HD2 LYS 7 1HD LYS 7 5.775 -9.584 1.752 55 HD3 LYS 7 2HD LYS 7 6.309 -8.028 1.112 56 HE2 LYS 7 1HE LYS 7 7.617 -8.241 3.002 57 HE3 LYS 7 2HE LYS 7 6.261 -7.288 3.604 58 HZ1 LYS 7 3HZ LYS 7 5.274 -9.529 4.258 59 HZ2 LYS 7 1HZ LYS 7 6.559 -8.942 5.190 60 HZ3 LYS 7 2HZ LYS 7 6.831 -10.153 4.041 61 H ALA 8 H ALA 8 2.020 -10.175 2.730 62 HA ALA 8 HA ALA 8 -0.595 -10.766 2.150 63 HB1 ALA 8 1HB ALA 8 -0.670 -11.079 4.344 64 HB2 ALA 8 2HB ALA 8 0.921 -10.330 4.480 65 HB3 ALA 8 3HB ALA 8 -0.534 -9.344 4.632 66 H CYS 9 H CYS 9 -2.026 -9.613 1.041 67 HA CYS 9 HA CYS 9 -1.930 -6.711 1.057 68 HB2 CYS 9 1HB CYS 9 -2.766 -6.918 -1.006 69 HB3 CYS 9 2HB CYS 9 -2.717 -8.667 -0.809 70 H ASN 10 H ASN 10 -3.659 -5.367 1.659 71 HA ASN 10 HA ASN 10 -5.319 -6.493 3.780 72 HB2 ASN 10 1HB ASN 10 -4.377 -3.753 3.060 73 HB3 ASN 10 2HB ASN 10 -5.875 -3.904 3.973 74 HD21 ASN 10 2HD2 ASN 10 -5.180 -3.112 5.884 75 HD22 ASN 10 1HD2 ASN 10 -3.959 -3.855 6.854 76 HA PRO 11 HA PRO 11 -9.043 -6.473 1.448 77 HB2 PRO 11 1HB PRO 11 -10.851 -6.011 3.420 78 HB3 PRO 11 2HB PRO 11 -10.008 -7.553 3.232 79 HG2 PRO 11 1HG PRO 11 -9.416 -5.285 5.094 80 HG3 PRO 11 2HG PRO 11 -9.412 -7.028 5.417 81 HD2 PRO 11 1HD PRO 11 -7.140 -5.623 4.977 82 HD3 PRO 11 2HD PRO 11 -7.320 -7.322 4.494 83 H SER 12 H SER 12 -8.881 -3.847 3.858 84 HA SER 12 HA SER 12 -10.442 -2.128 2.087 85 HB2 SER 12 1HB SER 12 -9.499 -1.760 4.938 86 HB3 SER 12 2HB SER 12 -10.412 -0.550 4.037 87 HG SER 12 HG SER 12 -11.719 -1.939 5.371 88 H ASN 13 H ASN 13 -7.386 -1.955 3.917 89 HA ASN 13 HA ASN 13 -6.471 0.412 2.689 90 HB2 ASN 13 1HB ASN 13 -4.711 -1.746 3.856 91 HB3 ASN 13 2HB ASN 13 -4.376 -0.020 3.751 92 HD21 ASN 13 2HD2 ASN 13 -4.804 1.181 5.462 93 HD22 ASN 13 1HD2 ASN 13 -5.784 0.711 6.805 94 H ASP 14 H ASP 14 -6.660 0.268 0.463 95 HA ASP 14 HA ASP 14 -5.837 -1.827 -1.165 96 HB2 ASP 14 1HB ASP 14 -5.712 -0.135 -2.977 97 HB3 ASP 14 2HB ASP 14 -7.190 -0.007 -2.027 98 H GLN 15 H GLN 15 -3.895 -2.742 -1.206 99 HA GLN 15 HA GLN 15 -1.516 -1.069 -0.823 100 HB2 GLN 15 1HB GLN 15 -2.067 -3.995 -0.461 101 HB3 GLN 15 2HB GLN 15 -0.417 -3.423 -0.663 102 HG2 GLN 15 1HG GLN 15 -1.008 -1.790 1.254 103 HG3 GLN 15 2HG GLN 15 -2.333 -2.910 1.568 104 HE21 GLN 15 2HE2 GLN 15 -1.826 -5.082 2.112 105 HE22 GLN 15 1HE2 GLN 15 -0.300 -5.481 2.818 106 H CYS 16 H CYS 16 -2.325 -3.972 -2.736 107 HA CYS 16 HA CYS 16 -0.367 -3.939 -4.595 108 HB2 CYS 16 1HB CYS 16 -3.188 -4.327 -5.543 109 HB3 CYS 16 2HB CYS 16 -1.737 -5.221 -5.985 110 H CYS 17 H CYS 17 -0.027 -3.031 -6.654 111 HA CYS 17 HA CYS 17 -0.655 -0.269 -6.846 112 HB2 CYS 17 1HB CYS 17 0.988 -2.204 -8.292 113 HB3 CYS 17 2HB CYS 17 0.248 -1.011 -9.355 114 H LYS 18 H LYS 18 -1.260 0.361 -9.362 115 HA LYS 18 HA LYS 18 -4.006 -0.619 -9.632 116 HB2 LYS 18 1HB LYS 18 -2.581 1.886 -10.413 117 HB3 LYS 18 2HB LYS 18 -3.993 1.401 -11.343 118 HG2 LYS 18 1HG LYS 18 -4.722 2.911 -9.666 119 HG3 LYS 18 2HG LYS 18 -5.272 1.300 -9.199 120 HD2 LYS 18 1HD LYS 18 -3.480 1.096 -7.605 121 HD3 LYS 18 2HD LYS 18 -2.767 2.616 -8.151 122 HE2 LYS 18 1HE LYS 18 -3.974 2.963 -6.081 123 HE3 LYS 18 2HE LYS 18 -4.784 3.807 -7.400 124 HZ1 LYS 18 3HZ LYS 18 -6.583 2.483 -7.261 125 HZ2 LYS 18 1HZ LYS 18 -6.051 2.245 -5.672 126 HZ3 LYS 18 2HZ LYS 18 -5.694 1.099 -6.864 127 H SER 19 H SER 19 -1.780 0.653 -12.085 128 HA SER 19 HA SER 19 -2.748 -0.958 -14.152 129 HB2 SER 19 1HB SER 19 -0.470 -0.380 -15.234 130 HB3 SER 19 2HB SER 19 -1.557 0.949 -14.832 131 HG SER 19 HG SER 19 0.409 0.069 -13.011 132 H SER 20 H SER 20 -0.512 -1.642 -11.624 133 HA SER 20 HA SER 20 0.982 -3.708 -12.792 134 HB2 SER 20 1HB SER 20 0.156 -3.492 -9.888 135 HB3 SER 20 2HB SER 20 1.541 -4.375 -10.530 136 HG SER 20 HG SER 20 2.630 -2.587 -10.513 137 H LYS 21 H LYS 21 0.777 -5.974 -12.655 138 HA LYS 21 HA LYS 21 -1.962 -6.892 -12.850 139 HB2 LYS 21 1HB LYS 21 0.708 -7.934 -13.596 140 HB3 LYS 21 2HB LYS 21 -0.505 -9.139 -13.187 141 HG2 LYS 21 1HG LYS 21 -0.736 -8.913 -15.476 142 HG3 LYS 21 2HG LYS 21 -2.012 -7.868 -14.845 143 HD2 LYS 21 1HD LYS 21 -0.905 -5.936 -15.435 144 HD3 LYS 21 2HD LYS 21 0.683 -6.706 -15.389 145 HE2 LYS 21 1HE LYS 21 0.301 -6.389 -17.662 146 HE3 LYS 21 2HE LYS 21 -0.159 -8.071 -17.402 147 HZ1 LYS 21 3HZ LYS 21 -2.336 -6.241 -17.029 148 HZ2 LYS 21 1HZ LYS 21 -2.255 -7.646 -17.968 149 HZ3 LYS 21 2HZ LYS 21 -1.694 -6.179 -18.593 150 H LEU 22 H LEU 22 0.540 -6.848 -10.510 151 HA LEU 22 HA LEU 22 0.304 -9.053 -8.983 152 HB2 LEU 22 1HB LEU 22 0.086 -6.926 -7.143 153 HB3 LEU 22 2HB LEU 22 1.533 -7.804 -7.634 154 HG LEU 22 HG LEU 22 0.554 -5.501 -9.274 155 HD11 LEU 22 1HD1 LEU 22 2.353 -5.230 -6.874 156 HD12 LEU 22 2HD1 LEU 22 0.653 -4.762 -6.901 157 HD13 LEU 22 3HD1 LEU 22 1.808 -3.947 -7.955 158 HD21 LEU 22 3HD2 LEU 22 2.343 -6.175 -10.424 159 HD22 LEU 22 1HD2 LEU 22 2.906 -7.205 -9.107 160 HD23 LEU 22 2HD2 LEU 22 3.304 -5.486 -9.114 161 H VAL 23 H VAL 23 -1.511 -10.181 -8.654 162 HA VAL 23 HA VAL 23 -3.945 -8.763 -7.831 163 HB VAL 23 HB VAL 23 -4.208 -10.283 -9.724 164 HG11 VAL 23 1HG1 VAL 23 -4.051 -12.781 -9.197 165 HG12 VAL 23 2HG1 VAL 23 -2.540 -11.905 -9.450 166 HG13 VAL 23 3HG1 VAL 23 -3.069 -12.299 -7.814 167 HG21 VAL 23 3HG2 VAL 23 -5.539 -11.488 -7.306 168 HG22 VAL 23 1HG2 VAL 23 -6.028 -9.953 -8.024 169 HG23 VAL 23 2HG2 VAL 23 -6.143 -11.441 -8.962 170 H CYS 24 H CYS 24 -5.045 -9.275 -5.953 171 HA CYS 24 HA CYS 24 -3.583 -10.975 -4.039 172 HB2 CYS 24 1HB CYS 24 -3.319 -9.033 -2.911 173 HB3 CYS 24 2HB CYS 24 -4.605 -8.227 -3.803 174 H SER 25 H SER 25 -6.653 -10.036 -5.383 175 HA SER 25 HA SER 25 -8.273 -11.474 -3.522 176 HB2 SER 25 1HB SER 25 -9.293 -9.667 -4.724 177 HB3 SER 25 2HB SER 25 -8.835 -10.365 -6.278 178 HG SER 25 HG SER 25 -10.804 -11.233 -4.455 179 H ARG 26 H ARG 26 -7.481 -12.091 -6.947 180 HA ARG 26 HA ARG 26 -8.615 -14.547 -7.281 181 HB2 ARG 26 1HB ARG 26 -6.020 -13.453 -8.350 182 HB3 ARG 26 2HB ARG 26 -6.642 -15.022 -8.844 183 HG2 ARG 26 1HG ARG 26 -8.721 -13.897 -9.603 184 HG3 ARG 26 2HG ARG 26 -7.962 -12.347 -9.234 185 HD2 ARG 26 1HD ARG 26 -6.236 -12.742 -10.855 186 HD3 ARG 26 2HD ARG 26 -6.808 -14.387 -11.128 187 HE ARG 26 HE ARG 26 -8.401 -13.558 -12.543 188 HH11 ARG 26 1HH1 ARG 26 -7.139 -10.956 -10.604 189 HH12 ARG 26 2HH1 ARG 26 -7.975 -9.720 -11.486 190 HH21 ARG 26 1HH2 ARG 26 -9.506 -11.940 -13.711 191 HH22 ARG 26 2HH2 ARG 26 -9.322 -10.281 -13.252 192 H LYS 27 H LYS 27 -5.288 -13.990 -6.126 193 HA LYS 27 HA LYS 27 -5.151 -16.765 -5.224 194 HB2 LYS 27 1HB LYS 27 -3.140 -14.599 -5.692 195 HB3 LYS 27 2HB LYS 27 -2.737 -15.922 -4.605 196 HG2 LYS 27 1HG LYS 27 -1.904 -16.404 -6.806 197 HG3 LYS 27 2HG LYS 27 -3.216 -17.520 -6.419 198 HD2 LYS 27 1HD LYS 27 -4.755 -16.271 -7.776 199 HD3 LYS 27 2HD LYS 27 -3.559 -14.999 -8.040 200 HE2 LYS 27 1HE LYS 27 -2.780 -17.749 -8.808 201 HE3 LYS 27 2HE LYS 27 -4.016 -16.971 -9.795 202 HZ1 LYS 27 3HZ LYS 27 -2.558 -15.463 -10.596 203 HZ2 LYS 27 1HZ LYS 27 -1.434 -16.679 -10.246 204 HZ3 LYS 27 2HZ LYS 27 -1.649 -15.391 -9.171 205 H THR 28 H THR 28 -3.551 -16.735 -3.091 206 HA THR 28 HA THR 28 -5.189 -16.269 -0.931 207 HB THR 28 HB THR 28 -2.321 -15.895 -0.352 208 HG1 THR 28 HG1 THR 28 -3.303 -18.202 -1.707 209 HG21 THR 28 3HG2 THR 28 -3.262 -18.226 0.822 210 HG22 THR 28 1HG2 THR 28 -4.671 -17.167 0.782 211 HG23 THR 28 2HG2 THR 28 -3.188 -16.632 1.573 212 H ARG 29 H ARG 29 -4.523 -14.777 0.978 213 HA ARG 29 HA ARG 29 -5.204 -12.185 0.412 214 HB2 ARG 29 1HB ARG 29 -3.723 -13.450 2.681 215 HB3 ARG 29 2HB ARG 29 -3.837 -11.696 2.612 216 HG2 ARG 29 1HG ARG 29 -5.647 -12.257 3.918 217 HG3 ARG 29 2HG ARG 29 -6.375 -12.122 2.316 218 HD2 ARG 29 1HD ARG 29 -7.205 -14.110 3.380 219 HD3 ARG 29 2HD ARG 29 -6.136 -14.577 2.058 220 HE ARG 29 HE ARG 29 -4.728 -14.431 4.521 221 HH11 ARG 29 1HH1 ARG 29 -6.933 -16.416 2.700 222 HH12 ARG 29 2HH1 ARG 29 -6.431 -17.893 3.454 223 HH21 ARG 29 1HH2 ARG 29 -4.058 -16.369 5.521 224 HH22 ARG 29 2HH2 ARG 29 -4.797 -17.865 5.059 225 H ALA 30 H ALA 30 -2.119 -13.702 0.038 226 HA ALA 30 HA ALA 30 -0.523 -11.349 -0.009 227 HB1 ALA 30 1HB ALA 30 0.944 -13.056 -1.461 228 HB2 ALA 30 2HB ALA 30 0.848 -13.122 0.299 229 HB3 ALA 30 3HB ALA 30 -0.146 -14.201 -0.680 230 H CYS 31 H CYS 31 0.037 -10.016 -1.654 231 HA CYS 31 HA CYS 31 -1.443 -10.340 -4.164 232 HB2 CYS 31 1HB CYS 31 -1.307 -8.178 -2.569 233 HB3 CYS 31 2HB CYS 31 0.067 -7.845 -3.618 234 H LYS 32 H LYS 32 -0.402 -11.142 -5.850 235 HA LYS 32 HA LYS 32 2.339 -10.320 -6.392 236 HB2 LYS 32 1HB LYS 32 3.236 -12.500 -6.572 237 HB3 LYS 32 2HB LYS 32 2.374 -12.472 -5.039 238 HG2 LYS 32 1HG LYS 32 0.501 -13.328 -6.925 239 HG3 LYS 32 2HG LYS 32 1.997 -14.178 -7.319 240 HD2 LYS 32 1HD LYS 32 1.410 -14.085 -4.455 241 HD3 LYS 32 2HD LYS 32 0.193 -14.941 -5.404 242 HE2 LYS 32 1HE LYS 32 1.605 -16.680 -5.082 243 HE3 LYS 32 2HE LYS 32 2.406 -15.985 -6.490 244 HZ1 LYS 32 3HZ LYS 32 3.814 -14.712 -4.888 245 HZ2 LYS 32 1HZ LYS 32 4.057 -16.387 -4.866 246 HZ3 LYS 32 2HZ LYS 32 3.155 -15.647 -3.642 247 H TYR 33 H TYR 33 2.952 -10.535 -8.573 248 HA TYR 33 HA TYR 33 0.881 -10.182 -10.443 249 HB2 TYR 33 1HB TYR 33 2.623 -10.129 -12.122 250 HB3 TYR 33 2HB TYR 33 3.182 -9.271 -10.691 251 HD1 TYR 33 HD1 TYR 33 4.873 -10.314 -9.208 252 HD2 TYR 33 HD2 TYR 33 3.725 -12.101 -12.895 253 HE1 TYR 33 HE1 TYR 33 6.887 -11.725 -9.144 254 HE2 TYR 33 HE2 TYR 33 5.735 -13.517 -12.841 255 HH TYR 33 HH TYR 33 8.104 -13.307 -11.723 256 H GLN 34 H GLN 34 -0.276 -11.577 -11.605 257 HA GLN 34 HA GLN 34 -0.203 -14.340 -11.135 258 HB2 GLN 34 1HB GLN 34 -1.741 -14.476 -13.117 259 HB3 GLN 34 2HB GLN 34 -2.248 -13.349 -11.866 260 HG2 GLN 34 1HG GLN 34 -0.618 -11.981 -13.773 261 HG3 GLN 34 2HG GLN 34 -1.899 -12.857 -14.608 262 HE21 GLN 34 2HE2 GLN 34 -2.841 -10.867 -15.191 263 HE22 GLN 34 1HE2 GLN 34 -3.757 -9.944 -14.054 264 H ILE 35 H ILE 35 0.441 -16.079 -12.436 265 HA ILE 35 HA ILE 35 2.710 -15.463 -14.173 266 HB ILE 35 HB ILE 35 1.808 -18.148 -13.126 267 HG12 ILE 35 1HG1 ILE 35 4.094 -17.655 -11.801 268 HG13 ILE 35 2HG1 ILE 35 3.515 -16.002 -11.981 269 HG21 ILE 35 1HG2 ILE 35 4.309 -17.250 -14.542 270 HG22 ILE 35 2HG2 ILE 35 4.146 -18.803 -13.724 271 HG23 ILE 35 3HG2 ILE 35 3.116 -18.421 -15.103 272 HD11 ILE 35 3HD1 ILE 35 2.180 -16.298 -10.251 273 HD12 ILE 35 1HD1 ILE 35 1.337 -17.583 -11.115 274 HD13 ILE 35 2HD1 ILE 35 2.728 -17.967 -10.100 Start of MODEL 4 1 H1 GLU 1 H GLU 1 1.974 -0.347 0.976 2 HA GLU 1 HA GLU 1 1.899 1.031 -1.585 3 HB2 GLU 1 1HB GLU 1 4.011 -0.584 -0.165 4 HB3 GLU 1 2HB GLU 1 4.208 -0.032 -1.822 5 HG2 GLU 1 1HG GLU 1 5.283 1.612 -0.631 6 HG3 GLU 1 2HG GLU 1 3.677 2.306 -0.849 7 H CYS 2 H CYS 2 3.019 -0.444 -3.402 8 HA CYS 2 HA CYS 2 1.062 -2.459 -3.991 9 HB2 CYS 2 1HB CYS 2 3.556 -2.031 -5.605 10 HB3 CYS 2 2HB CYS 2 1.949 -2.493 -6.153 11 H LEU 3 H LEU 3 1.211 -4.599 -3.740 12 HA LEU 3 HA LEU 3 3.781 -5.692 -2.810 13 HB2 LEU 3 1HB LEU 3 1.358 -7.303 -2.419 14 HB3 LEU 3 2HB LEU 3 2.695 -6.977 -1.318 15 HG LEU 3 HG LEU 3 0.721 -4.809 -1.849 16 HD11 LEU 3 1HD1 LEU 3 -1.015 -5.818 -0.904 17 HD12 LEU 3 2HD1 LEU 3 -0.028 -6.386 0.442 18 HD13 LEU 3 3HD1 LEU 3 -0.128 -7.337 -1.039 19 HD21 LEU 3 3HD2 LEU 3 1.645 -5.405 0.863 20 HD22 LEU 3 1HD2 LEU 3 1.625 -3.880 -0.023 21 HD23 LEU 3 2HD2 LEU 3 2.940 -5.028 -0.275 22 H GLU 4 H GLU 4 4.627 -6.137 -4.857 23 HA GLU 4 HA GLU 4 3.131 -7.931 -6.605 24 HB2 GLU 4 1HB GLU 4 4.748 -7.454 -8.278 25 HB3 GLU 4 2HB GLU 4 4.394 -5.927 -7.482 26 HG2 GLU 4 1HG GLU 4 6.459 -6.501 -6.023 27 HG3 GLU 4 2HG GLU 4 6.856 -7.606 -7.338 28 H ILE 5 H ILE 5 5.568 -8.032 -4.212 29 HA ILE 5 HA ILE 5 6.872 -10.420 -5.117 30 HB ILE 5 HB ILE 5 8.080 -8.866 -3.695 31 HG12 ILE 5 1HG1 ILE 5 9.003 -10.446 -2.103 32 HG13 ILE 5 2HG1 ILE 5 7.545 -11.429 -2.179 33 HG21 ILE 5 1HG2 ILE 5 6.384 -7.892 -2.371 34 HG22 ILE 5 2HG2 ILE 5 5.896 -9.454 -1.716 35 HG23 ILE 5 3HG2 ILE 5 7.443 -8.748 -1.250 36 HD11 ILE 5 3HD1 ILE 5 9.369 -12.416 -3.449 37 HD12 ILE 5 1HD1 ILE 5 8.022 -11.976 -4.498 38 HD13 ILE 5 2HD1 ILE 5 9.467 -10.965 -4.446 39 H PHE 6 H PHE 6 3.965 -9.739 -3.473 40 HA PHE 6 HA PHE 6 2.328 -11.466 -3.238 41 HB2 PHE 6 1HB PHE 6 2.880 -13.679 -3.010 42 HB3 PHE 6 2HB PHE 6 4.351 -13.104 -3.787 43 HD1 PHE 6 HD2 PHE 6 5.527 -11.682 -1.387 44 HD2 PHE 6 HD1 PHE 6 3.752 -15.524 -1.839 45 HE1 PHE 6 HE2 PHE 6 6.854 -12.515 0.510 46 HE2 PHE 6 HE1 PHE 6 5.076 -16.363 0.058 47 HZ PHE 6 HZ PHE 6 6.630 -14.858 1.234 48 H LYS 7 H LYS 7 3.440 -9.350 -1.563 49 HA LYS 7 HA LYS 7 3.551 -10.307 1.133 50 HB2 LYS 7 1HB LYS 7 4.374 -8.022 -0.090 51 HB3 LYS 7 2HB LYS 7 2.896 -7.465 0.685 52 HG2 LYS 7 1HG LYS 7 4.438 -7.036 2.318 53 HG3 LYS 7 2HG LYS 7 3.901 -8.651 2.786 54 HD2 LYS 7 1HD LYS 7 5.832 -9.645 1.730 55 HD3 LYS 7 2HD LYS 7 6.338 -8.075 1.101 56 HE2 LYS 7 1HE LYS 7 6.239 -7.438 3.673 57 HE3 LYS 7 2HE LYS 7 6.505 -9.171 3.859 58 HZ1 LYS 7 3HZ LYS 7 8.419 -7.264 3.396 59 HZ2 LYS 7 1HZ LYS 7 8.249 -8.050 1.907 60 HZ3 LYS 7 2HZ LYS 7 8.625 -8.940 3.296 61 H ALA 8 H ALA 8 1.993 -10.256 2.708 62 HA ALA 8 HA ALA 8 -0.621 -10.780 2.127 63 HB1 ALA 8 1HB ALA 8 -1.099 -9.950 4.497 64 HB2 ALA 8 2HB ALA 8 0.086 -11.243 4.309 65 HB3 ALA 8 3HB ALA 8 0.625 -9.587 4.582 66 H CYS 9 H CYS 9 -2.093 -9.630 1.079 67 HA CYS 9 HA CYS 9 -1.940 -6.725 1.046 68 HB2 CYS 9 1HB CYS 9 -2.871 -6.892 -0.987 69 HB3 CYS 9 2HB CYS 9 -2.689 -8.636 -0.834 70 H ASN 10 H ASN 10 -3.652 -5.354 1.641 71 HA ASN 10 HA ASN 10 -5.278 -6.412 3.814 72 HB2 ASN 10 1HB ASN 10 -4.313 -3.732 2.988 73 HB3 ASN 10 2HB ASN 10 -5.880 -3.783 3.791 74 HD21 ASN 10 2HD2 ASN 10 -3.062 -2.885 4.531 75 HD22 ASN 10 1HD2 ASN 10 -2.809 -3.585 6.090 76 HA PRO 11 HA PRO 11 -9.044 -6.581 1.558 77 HB2 PRO 11 1HB PRO 11 -10.824 -6.059 3.540 78 HB3 PRO 11 2HB PRO 11 -9.953 -7.591 3.410 79 HG2 PRO 11 1HG PRO 11 -9.373 -5.223 5.148 80 HG3 PRO 11 2HG PRO 11 -9.327 -6.948 5.556 81 HD2 PRO 11 1HD PRO 11 -7.093 -5.521 5.003 82 HD3 PRO 11 2HD PRO 11 -7.247 -7.245 4.607 83 H SER 12 H SER 12 -8.833 -3.823 3.807 84 HA SER 12 HA SER 12 -10.434 -2.222 1.946 85 HB2 SER 12 1HB SER 12 -11.194 -2.207 4.265 86 HB3 SER 12 2HB SER 12 -9.602 -1.677 4.807 87 HG SER 12 HG SER 12 -10.495 0.227 4.593 88 H ASN 13 H ASN 13 -7.428 -1.997 3.841 89 HA ASN 13 HA ASN 13 -6.518 0.396 2.668 90 HB2 ASN 13 1HB ASN 13 -4.670 -1.731 3.727 91 HB3 ASN 13 2HB ASN 13 -4.488 0.020 3.798 92 HD21 ASN 13 2HD2 ASN 13 -6.160 1.169 5.097 93 HD22 ASN 13 1HD2 ASN 13 -6.676 0.420 6.566 94 H ASP 14 H ASP 14 -6.668 0.326 0.443 95 HA ASP 14 HA ASP 14 -5.872 -1.713 -1.254 96 HB2 ASP 14 1HB ASP 14 -7.039 0.614 -1.703 97 HB3 ASP 14 2HB ASP 14 -5.394 1.122 -2.075 98 H GLN 15 H GLN 15 -3.967 -2.697 -1.317 99 HA GLN 15 HA GLN 15 -1.534 -1.125 -0.839 100 HB2 GLN 15 1HB GLN 15 -2.006 -4.108 -0.742 101 HB3 GLN 15 2HB GLN 15 -0.444 -3.340 -0.497 102 HG2 GLN 15 1HG GLN 15 -1.867 -1.998 1.321 103 HG3 GLN 15 2HG GLN 15 -2.781 -3.505 1.295 104 HE21 GLN 15 2HE2 GLN 15 -0.005 -1.917 2.407 105 HE22 GLN 15 1HE2 GLN 15 0.765 -3.270 3.157 106 H CYS 16 H CYS 16 -2.378 -3.984 -2.801 107 HA CYS 16 HA CYS 16 -0.396 -3.958 -4.634 108 HB2 CYS 16 1HB CYS 16 -3.211 -4.301 -5.618 109 HB3 CYS 16 2HB CYS 16 -1.766 -5.205 -6.057 110 H CYS 17 H CYS 17 -0.019 -3.034 -6.680 111 HA CYS 17 HA CYS 17 -0.618 -0.262 -6.851 112 HB2 CYS 17 1HB CYS 17 1.049 -2.190 -8.271 113 HB3 CYS 17 2HB CYS 17 0.325 -1.004 -9.353 114 H LYS 18 H LYS 18 -1.169 0.396 -9.372 115 HA LYS 18 HA LYS 18 -3.920 -0.546 -9.698 116 HB2 LYS 18 1HB LYS 18 -2.440 1.933 -10.463 117 HB3 LYS 18 2HB LYS 18 -3.847 1.470 -11.411 118 HG2 LYS 18 1HG LYS 18 -4.540 3.013 -9.729 119 HG3 LYS 18 2HG LYS 18 -5.175 1.420 -9.315 120 HD2 LYS 18 1HD LYS 18 -3.450 1.102 -7.669 121 HD3 LYS 18 2HD LYS 18 -2.645 2.592 -8.164 122 HE2 LYS 18 1HE LYS 18 -5.479 2.614 -7.188 123 HE3 LYS 18 2HE LYS 18 -4.130 2.621 -6.053 124 HZ1 LYS 18 3HZ LYS 18 -4.555 4.620 -8.209 125 HZ2 LYS 18 1HZ LYS 18 -3.312 4.639 -7.061 126 HZ3 LYS 18 2HZ LYS 18 -4.916 4.860 -6.574 127 H SER 19 H SER 19 -1.643 0.691 -12.120 128 HA SER 19 HA SER 19 -2.598 -0.918 -14.195 129 HB2 SER 19 1HB SER 19 -0.363 -0.346 -15.294 130 HB3 SER 19 2HB SER 19 -1.362 1.018 -14.795 131 HG SER 19 HG SER 19 1.114 0.284 -13.948 132 H SER 20 H SER 20 -0.459 -1.640 -11.611 133 HA SER 20 HA SER 20 1.049 -3.719 -12.757 134 HB2 SER 20 1HB SER 20 0.180 -3.468 -9.868 135 HB3 SER 20 2HB SER 20 1.553 -4.391 -10.478 136 HG SER 20 HG SER 20 2.528 -2.456 -11.093 137 H LYS 21 H LYS 21 0.814 -5.983 -12.613 138 HA LYS 21 HA LYS 21 -1.941 -6.863 -12.825 139 HB2 LYS 21 1HB LYS 21 -0.965 -8.996 -13.576 140 HB3 LYS 21 2HB LYS 21 -0.345 -7.630 -14.495 141 HG2 LYS 21 1HG LYS 21 1.733 -7.694 -13.351 142 HG3 LYS 21 2HG LYS 21 1.116 -8.848 -12.167 143 HD2 LYS 21 1HD LYS 21 1.736 -10.543 -13.465 144 HD3 LYS 21 2HD LYS 21 0.739 -9.923 -14.783 145 HE2 LYS 21 1HE LYS 21 3.028 -10.138 -15.525 146 HE3 LYS 21 2HE LYS 21 2.590 -8.433 -15.442 147 HZ1 LYS 21 3HZ LYS 21 4.688 -8.556 -14.470 148 HZ2 LYS 21 1HZ LYS 21 4.330 -9.971 -13.615 149 HZ3 LYS 21 2HZ LYS 21 3.641 -8.500 -13.143 150 H LEU 22 H LEU 22 0.563 -6.858 -10.491 151 HA LEU 22 HA LEU 22 0.322 -9.074 -8.983 152 HB2 LEU 22 1HB LEU 22 0.108 -6.971 -7.120 153 HB3 LEU 22 2HB LEU 22 1.557 -7.835 -7.630 154 HG LEU 22 HG LEU 22 0.565 -5.521 -9.243 155 HD11 LEU 22 1HD1 LEU 22 2.339 -5.256 -6.824 156 HD12 LEU 22 2HD1 LEU 22 0.637 -4.798 -6.867 157 HD13 LEU 22 3HD1 LEU 22 1.799 -3.968 -7.902 158 HD21 LEU 22 3HD2 LEU 22 2.366 -6.181 -10.386 159 HD22 LEU 22 1HD2 LEU 22 2.941 -7.197 -9.063 160 HD23 LEU 22 2HD2 LEU 22 3.309 -5.472 -9.074 161 H VAL 23 H VAL 23 -1.489 -10.205 -8.651 162 HA VAL 23 HA VAL 23 -3.926 -8.793 -7.827 163 HB VAL 23 HB VAL 23 -4.158 -10.322 -9.732 164 HG11 VAL 23 1HG1 VAL 23 -4.014 -12.792 -9.267 165 HG12 VAL 23 2HG1 VAL 23 -2.469 -11.940 -9.319 166 HG13 VAL 23 3HG1 VAL 23 -3.181 -12.383 -7.767 167 HG21 VAL 23 3HG2 VAL 23 -5.553 -11.408 -7.288 168 HG22 VAL 23 1HG2 VAL 23 -6.032 -9.944 -8.149 169 HG23 VAL 23 2HG2 VAL 23 -6.105 -11.509 -8.960 170 H CYS 24 H CYS 24 -5.061 -9.363 -5.970 171 HA CYS 24 HA CYS 24 -3.568 -11.022 -4.044 172 HB2 CYS 24 1HB CYS 24 -3.369 -9.012 -2.986 173 HB3 CYS 24 2HB CYS 24 -4.784 -8.332 -3.783 174 H SER 25 H SER 25 -6.663 -10.153 -5.396 175 HA SER 25 HA SER 25 -8.248 -11.667 -3.571 176 HB2 SER 25 1HB SER 25 -8.930 -9.738 -5.220 177 HB3 SER 25 2HB SER 25 -9.160 -11.062 -6.361 178 HG SER 25 HG SER 25 -11.072 -11.031 -5.412 179 H ARG 26 H ARG 26 -7.315 -12.235 -6.967 180 HA ARG 26 HA ARG 26 -8.396 -14.701 -7.386 181 HB2 ARG 26 1HB ARG 26 -5.809 -13.495 -8.322 182 HB3 ARG 26 2HB ARG 26 -6.266 -15.123 -8.804 183 HG2 ARG 26 1HG ARG 26 -8.368 -14.210 -9.737 184 HG3 ARG 26 2HG ARG 26 -7.795 -12.588 -9.345 185 HD2 ARG 26 1HD ARG 26 -5.924 -12.830 -10.832 186 HD3 ARG 26 2HD ARG 26 -6.315 -14.525 -11.116 187 HE ARG 26 HE ARG 26 -7.814 -13.852 -12.695 188 HH11 ARG 26 1HH1 ARG 26 -7.176 -11.177 -10.561 189 HH12 ARG 26 2HH1 ARG 26 -8.115 -10.049 -11.482 190 HH21 ARG 26 1HH2 ARG 26 -9.053 -12.377 -13.916 191 HH22 ARG 26 2HH2 ARG 26 -9.183 -10.733 -13.390 192 H LYS 27 H LYS 27 -5.103 -14.151 -6.125 193 HA LYS 27 HA LYS 27 -5.019 -16.917 -5.192 194 HB2 LYS 27 1HB LYS 27 -3.106 -15.246 -6.299 195 HB3 LYS 27 2HB LYS 27 -2.689 -15.266 -4.591 196 HG2 LYS 27 1HG LYS 27 -1.517 -17.089 -5.170 197 HG3 LYS 27 2HG LYS 27 -3.079 -17.897 -5.014 198 HD2 LYS 27 1HD LYS 27 -3.451 -17.827 -7.354 199 HD3 LYS 27 2HD LYS 27 -2.110 -16.706 -7.604 200 HE2 LYS 27 1HE LYS 27 -0.514 -18.349 -7.341 201 HE3 LYS 27 2HE LYS 27 -1.579 -19.377 -6.382 202 HZ1 LYS 27 3HZ LYS 27 -2.899 -19.451 -8.632 203 HZ2 LYS 27 1HZ LYS 27 -1.597 -20.494 -8.347 204 HZ3 LYS 27 2HZ LYS 27 -1.379 -19.107 -9.289 205 H THR 28 H THR 28 -3.340 -16.732 -3.037 206 HA THR 28 HA THR 28 -5.035 -16.350 -0.895 207 HB THR 28 HB THR 28 -2.236 -15.761 -0.242 208 HG1 THR 28 HG1 THR 28 -2.914 -18.149 -1.648 209 HG21 THR 28 3HG2 THR 28 -3.165 -18.277 0.716 210 HG22 THR 28 1HG2 THR 28 -4.477 -17.109 0.863 211 HG23 THR 28 2HG2 THR 28 -2.917 -16.782 1.617 212 H ARG 29 H ARG 29 -4.486 -14.779 0.988 213 HA ARG 29 HA ARG 29 -5.312 -12.239 0.331 214 HB2 ARG 29 1HB ARG 29 -4.290 -11.569 2.570 215 HB3 ARG 29 2HB ARG 29 -5.472 -12.871 2.595 216 HG2 ARG 29 1HG ARG 29 -2.752 -13.836 2.256 217 HG3 ARG 29 2HG ARG 29 -2.978 -12.919 3.746 218 HD2 ARG 29 1HD ARG 29 -4.578 -14.391 4.559 219 HD3 ARG 29 2HD ARG 29 -4.946 -15.029 2.957 220 HE ARG 29 HE ARG 29 -2.265 -15.592 3.780 221 HH11 ARG 29 1HH1 ARG 29 -5.579 -16.623 4.045 222 HH12 ARG 29 2HH1 ARG 29 -5.176 -18.271 4.394 223 HH21 ARG 29 1HH2 ARG 29 -1.720 -17.759 4.239 224 HH22 ARG 29 2HH2 ARG 29 -2.980 -18.916 4.505 225 H ALA 30 H ALA 30 -2.166 -13.603 0.043 226 HA ALA 30 HA ALA 30 -0.689 -11.160 0.048 227 HB1 ALA 30 1HB ALA 30 0.887 -12.880 -1.342 228 HB2 ALA 30 2HB ALA 30 0.819 -12.782 0.418 229 HB3 ALA 30 3HB ALA 30 -0.130 -14.000 -0.434 230 H CYS 31 H CYS 31 -0.014 -9.898 -1.639 231 HA CYS 31 HA CYS 31 -1.437 -10.298 -4.171 232 HB2 CYS 31 1HB CYS 31 -1.287 -8.078 -2.632 233 HB3 CYS 31 2HB CYS 31 0.074 -7.794 -3.713 234 H LYS 32 H LYS 32 -0.366 -11.141 -5.819 235 HA LYS 32 HA LYS 32 2.421 -10.397 -6.266 236 HB2 LYS 32 1HB LYS 32 3.250 -12.585 -6.396 237 HB3 LYS 32 2HB LYS 32 2.243 -12.599 -4.954 238 HG2 LYS 32 1HG LYS 32 0.442 -13.360 -6.814 239 HG3 LYS 32 2HG LYS 32 1.924 -14.028 -7.501 240 HD2 LYS 32 1HD LYS 32 1.473 -14.451 -4.604 241 HD3 LYS 32 2HD LYS 32 0.432 -15.344 -5.715 242 HE2 LYS 32 1HE LYS 32 2.541 -16.074 -6.900 243 HE3 LYS 32 2HE LYS 32 3.438 -15.397 -5.542 244 HZ1 LYS 32 3HZ LYS 32 2.618 -16.982 -4.100 245 HZ2 LYS 32 1HZ LYS 32 2.827 -17.880 -5.519 246 HZ3 LYS 32 2HZ LYS 32 1.284 -17.352 -5.072 247 H TYR 33 H TYR 33 3.106 -10.605 -8.428 248 HA TYR 33 HA TYR 33 1.258 -9.991 -10.386 249 HB2 TYR 33 1HB TYR 33 3.088 -10.703 -12.008 250 HB3 TYR 33 2HB TYR 33 3.530 -9.484 -10.819 251 HD1 TYR 33 HD1 TYR 33 3.753 -13.118 -11.555 252 HD2 TYR 33 HD2 TYR 33 5.338 -9.834 -9.362 253 HE1 TYR 33 HE1 TYR 33 5.639 -14.520 -10.830 254 HE2 TYR 33 HE2 TYR 33 7.229 -11.227 -8.632 255 HH TYR 33 HH TYR 33 7.704 -13.671 -8.326 256 H GLN 34 H GLN 34 0.076 -11.114 -11.860 257 HA GLN 34 HA GLN 34 -0.592 -13.811 -11.260 258 HB2 GLN 34 1HB GLN 34 -2.001 -11.897 -12.377 259 HB3 GLN 34 2HB GLN 34 -1.316 -12.532 -13.867 260 HG2 GLN 34 1HG GLN 34 -2.193 -14.784 -13.191 261 HG3 GLN 34 2HG GLN 34 -3.051 -13.973 -11.882 262 HE21 GLN 34 2HE2 GLN 34 -5.077 -14.462 -12.637 263 HE22 GLN 34 1HE2 GLN 34 -5.743 -13.767 -14.071 264 H ILE 35 H ILE 35 -0.196 -15.691 -12.412 265 HA ILE 35 HA ILE 35 2.051 -15.533 -14.311 266 HB ILE 35 HB ILE 35 1.267 -17.853 -12.543 267 HG12 ILE 35 1HG1 ILE 35 3.649 -15.997 -12.356 268 HG13 ILE 35 2HG1 ILE 35 2.230 -15.916 -11.318 269 HG21 ILE 35 1HG2 ILE 35 3.610 -17.482 -14.404 270 HG22 ILE 35 2HG2 ILE 35 3.401 -18.831 -13.288 271 HG23 ILE 35 3HG2 ILE 35 2.265 -18.602 -14.618 272 HD11 ILE 35 3HD1 ILE 35 3.129 -17.397 -9.953 273 HD12 ILE 35 1HD1 ILE 35 3.241 -18.571 -11.264 274 HD13 ILE 35 2HD1 ILE 35 4.568 -17.446 -10.972 Start of MODEL 5 1 H1 GLU 1 H GLU 1 1.739 -0.494 0.972 2 HA GLU 1 HA GLU 1 2.045 0.951 -1.552 3 HB2 GLU 1 1HB GLU 1 3.930 -0.861 -0.036 4 HB3 GLU 1 2HB GLU 1 4.306 -0.122 -1.587 5 HG2 GLU 1 1HG GLU 1 4.556 1.960 -0.698 6 HG3 GLU 1 2HG GLU 1 3.439 1.649 0.630 7 H CYS 2 H CYS 2 3.052 -0.463 -3.361 8 HA CYS 2 HA CYS 2 1.112 -2.469 -4.012 9 HB2 CYS 2 1HB CYS 2 3.627 -2.003 -5.584 10 HB3 CYS 2 2HB CYS 2 2.028 -2.459 -6.164 11 H LEU 3 H LEU 3 1.238 -4.601 -3.739 12 HA LEU 3 HA LEU 3 3.811 -5.730 -2.861 13 HB2 LEU 3 1HB LEU 3 1.394 -7.331 -2.436 14 HB3 LEU 3 2HB LEU 3 2.738 -6.992 -1.347 15 HG LEU 3 HG LEU 3 0.716 -4.860 -1.881 16 HD11 LEU 3 1HD1 LEU 3 -0.724 -5.675 -0.151 17 HD12 LEU 3 2HD1 LEU 3 0.344 -7.043 0.161 18 HD13 LEU 3 3HD1 LEU 3 -0.539 -6.943 -1.363 19 HD21 LEU 3 3HD2 LEU 3 1.701 -5.318 0.821 20 HD22 LEU 3 1HD2 LEU 3 1.692 -3.845 -0.149 21 HD23 LEU 3 2HD2 LEU 3 2.991 -5.023 -0.346 22 H GLU 4 H GLU 4 4.620 -6.175 -4.922 23 HA GLU 4 HA GLU 4 3.073 -7.935 -6.660 24 HB2 GLU 4 1HB GLU 4 4.651 -7.458 -8.356 25 HB3 GLU 4 2HB GLU 4 4.376 -5.936 -7.521 26 HG2 GLU 4 1HG GLU 4 6.445 -6.373 -6.200 27 HG3 GLU 4 2HG GLU 4 6.742 -7.768 -7.236 28 H ILE 5 H ILE 5 5.540 -8.091 -4.301 29 HA ILE 5 HA ILE 5 6.786 -10.499 -5.240 30 HB ILE 5 HB ILE 5 8.048 -8.970 -3.838 31 HG12 ILE 5 1HG1 ILE 5 8.979 -10.572 -2.275 32 HG13 ILE 5 2HG1 ILE 5 7.503 -11.529 -2.321 33 HG21 ILE 5 1HG2 ILE 5 6.393 -7.976 -2.475 34 HG22 ILE 5 2HG2 ILE 5 5.898 -9.533 -1.814 35 HG23 ILE 5 3HG2 ILE 5 7.464 -8.850 -1.381 36 HD11 ILE 5 3HD1 ILE 5 9.276 -12.547 -3.635 37 HD12 ILE 5 1HD1 ILE 5 7.917 -12.073 -4.654 38 HD13 ILE 5 2HD1 ILE 5 9.384 -11.093 -4.627 39 H PHE 6 H PHE 6 3.921 -9.771 -3.550 40 HA PHE 6 HA PHE 6 2.259 -11.472 -3.288 41 HB2 PHE 6 1HB PHE 6 2.780 -13.695 -3.054 42 HB3 PHE 6 2HB PHE 6 4.241 -13.144 -3.869 43 HD1 PHE 6 HD2 PHE 6 5.449 -11.714 -1.464 44 HD2 PHE 6 HD1 PHE 6 3.696 -15.564 -1.936 45 HE1 PHE 6 HE2 PHE 6 6.808 -12.558 0.405 46 HE2 PHE 6 HE1 PHE 6 5.052 -16.414 -0.067 47 HZ PHE 6 HZ PHE 6 6.612 -14.910 1.106 48 H LYS 7 H LYS 7 3.516 -9.389 -1.620 49 HA LYS 7 HA LYS 7 3.648 -10.324 1.067 50 HB2 LYS 7 1HB LYS 7 4.246 -7.946 -0.277 51 HB3 LYS 7 2HB LYS 7 2.956 -7.518 0.839 52 HG2 LYS 7 1HG LYS 7 5.084 -7.144 1.888 53 HG3 LYS 7 2HG LYS 7 4.270 -8.493 2.684 54 HD2 LYS 7 1HD LYS 7 5.825 -9.537 0.548 55 HD3 LYS 7 2HD LYS 7 6.843 -8.434 1.477 56 HE2 LYS 7 1HE LYS 7 5.165 -10.588 2.745 57 HE3 LYS 7 2HE LYS 7 6.834 -10.845 2.236 58 HZ1 LYS 7 3HZ LYS 7 5.796 -9.171 4.417 59 HZ2 LYS 7 1HZ LYS 7 7.256 -8.744 3.676 60 HZ3 LYS 7 2HZ LYS 7 7.096 -10.254 4.420 61 H ALA 8 H ALA 8 2.163 -9.960 2.767 62 HA ALA 8 HA ALA 8 -0.470 -10.642 2.276 63 HB1 ALA 8 1HB ALA 8 0.329 -10.968 4.457 64 HB2 ALA 8 2HB ALA 8 0.820 -9.282 4.621 65 HB3 ALA 8 3HB ALA 8 -0.892 -9.704 4.607 66 H CYS 9 H CYS 9 -2.017 -9.576 1.249 67 HA CYS 9 HA CYS 9 -1.911 -6.661 1.093 68 HB2 CYS 9 1HB CYS 9 -2.755 -6.926 -0.962 69 HB3 CYS 9 2HB CYS 9 -2.606 -8.666 -0.735 70 H ASN 10 H ASN 10 -3.612 -5.321 1.707 71 HA ASN 10 HA ASN 10 -5.317 -6.436 3.796 72 HB2 ASN 10 1HB ASN 10 -4.450 -3.661 3.048 73 HB3 ASN 10 2HB ASN 10 -5.861 -3.897 4.075 74 HD21 ASN 10 2HD2 ASN 10 -4.954 -3.002 5.882 75 HD22 ASN 10 1HD2 ASN 10 -3.662 -3.744 6.758 76 HA PRO 11 HA PRO 11 -9.002 -6.405 1.404 77 HB2 PRO 11 1HB PRO 11 -10.840 -5.931 3.345 78 HB3 PRO 11 2HB PRO 11 -10.000 -7.477 3.173 79 HG2 PRO 11 1HG PRO 11 -9.429 -5.209 5.041 80 HG3 PRO 11 2HG PRO 11 -9.437 -6.952 5.367 81 HD2 PRO 11 1HD PRO 11 -7.152 -5.556 4.961 82 HD3 PRO 11 2HD PRO 11 -7.332 -7.255 4.479 83 H SER 12 H SER 12 -8.858 -3.773 3.808 84 HA SER 12 HA SER 12 -10.395 -2.052 2.019 85 HB2 SER 12 1HB SER 12 -10.950 -2.180 4.459 86 HB3 SER 12 2HB SER 12 -9.384 -1.448 4.806 87 HG SER 12 HG SER 12 -10.896 0.181 4.731 88 H ASN 13 H ASN 13 -7.323 -1.949 3.819 89 HA ASN 13 HA ASN 13 -6.386 0.431 2.629 90 HB2 ASN 13 1HB ASN 13 -4.596 -1.751 3.685 91 HB3 ASN 13 2HB ASN 13 -4.321 -0.012 3.696 92 HD21 ASN 13 2HD2 ASN 13 -4.811 1.074 5.472 93 HD22 ASN 13 1HD2 ASN 13 -5.751 0.472 6.791 94 H ASP 14 H ASP 14 -6.597 0.344 0.405 95 HA ASP 14 HA ASP 14 -5.851 -1.726 -1.285 96 HB2 ASP 14 1HB ASP 14 -5.520 0.156 -2.999 97 HB3 ASP 14 2HB ASP 14 -7.108 0.015 -2.250 98 H GLN 15 H GLN 15 -3.931 -2.722 -1.040 99 HA GLN 15 HA GLN 15 -1.501 -1.143 -0.729 100 HB2 GLN 15 1HB GLN 15 -1.942 -4.134 -0.698 101 HB3 GLN 15 2HB GLN 15 -0.400 -3.340 -0.402 102 HG2 GLN 15 1HG GLN 15 -1.819 -2.078 1.438 103 HG3 GLN 15 2HG GLN 15 -2.799 -3.540 1.326 104 HE21 GLN 15 2HE2 GLN 15 0.437 -2.321 1.945 105 HE22 GLN 15 1HE2 GLN 15 0.961 -3.662 2.900 106 H CYS 16 H CYS 16 -2.339 -3.980 -2.724 107 HA CYS 16 HA CYS 16 -0.377 -3.920 -4.572 108 HB2 CYS 16 1HB CYS 16 -3.207 -4.251 -5.526 109 HB3 CYS 16 2HB CYS 16 -1.764 -5.132 -6.018 110 H CYS 17 H CYS 17 0.002 -2.953 -6.591 111 HA CYS 17 HA CYS 17 -0.571 -0.185 -6.719 112 HB2 CYS 17 1HB CYS 17 1.017 -2.117 -8.216 113 HB3 CYS 17 2HB CYS 17 0.279 -0.909 -9.262 114 H LYS 18 H LYS 18 -1.212 0.569 -9.167 115 HA LYS 18 HA LYS 18 -4.000 -0.224 -9.391 116 HB2 LYS 18 1HB LYS 18 -2.354 2.075 -10.307 117 HB3 LYS 18 2HB LYS 18 -3.759 1.659 -11.279 118 HG2 LYS 18 1HG LYS 18 -4.437 3.321 -9.734 119 HG3 LYS 18 2HG LYS 18 -5.134 1.793 -9.191 120 HD2 LYS 18 1HD LYS 18 -4.278 2.879 -7.261 121 HD3 LYS 18 2HD LYS 18 -3.157 1.571 -7.644 122 HE2 LYS 18 1HE LYS 18 -1.969 3.626 -7.060 123 HE3 LYS 18 2HE LYS 18 -1.660 3.157 -8.731 124 HZ1 LYS 18 3HZ LYS 18 -2.761 4.945 -9.534 125 HZ2 LYS 18 1HZ LYS 18 -2.309 5.614 -8.047 126 HZ3 LYS 18 2HZ LYS 18 -3.870 4.999 -8.259 127 H SER 19 H SER 19 -2.008 0.781 -12.106 128 HA SER 19 HA SER 19 -3.122 -1.023 -13.911 129 HB2 SER 19 1HB SER 19 -1.964 0.936 -14.711 130 HB3 SER 19 2HB SER 19 -0.452 0.399 -13.979 131 HG SER 19 HG SER 19 -0.983 -0.005 -16.374 132 H SER 20 H SER 20 -0.712 -1.503 -11.522 133 HA SER 20 HA SER 20 0.857 -3.527 -12.535 134 HB2 SER 20 1HB SER 20 1.264 -4.208 -10.251 135 HB3 SER 20 2HB SER 20 1.123 -2.450 -10.291 136 HG SER 20 HG SER 20 -0.087 -3.677 -8.602 137 H LYS 21 H LYS 21 0.756 -5.802 -12.469 138 HA LYS 21 HA LYS 21 -1.927 -6.843 -12.861 139 HB2 LYS 21 1HB LYS 21 0.724 -8.268 -13.142 140 HB3 LYS 21 2HB LYS 21 -0.836 -8.824 -13.735 141 HG2 LYS 21 1HG LYS 21 0.709 -6.429 -14.703 142 HG3 LYS 21 2HG LYS 21 0.458 -7.950 -15.562 143 HD2 LYS 21 1HD LYS 21 -2.060 -7.408 -15.287 144 HD3 LYS 21 2HD LYS 21 -1.503 -5.762 -14.974 145 HE2 LYS 21 1HE LYS 21 -1.788 -5.652 -17.237 146 HE3 LYS 21 2HE LYS 21 -0.110 -6.190 -17.174 147 HZ1 LYS 21 3HZ LYS 21 -1.952 -8.375 -17.128 148 HZ2 LYS 21 1HZ LYS 21 -0.635 -8.097 -18.155 149 HZ3 LYS 21 2HZ LYS 21 -2.143 -7.420 -18.511 150 H LEU 22 H LEU 22 0.541 -6.854 -10.459 151 HA LEU 22 HA LEU 22 0.247 -9.172 -9.075 152 HB2 LEU 22 1HB LEU 22 0.227 -7.302 -7.048 153 HB3 LEU 22 2HB LEU 22 1.651 -7.992 -7.824 154 HG LEU 22 HG LEU 22 0.408 -5.574 -9.040 155 HD11 LEU 22 1HD1 LEU 22 2.258 -5.439 -6.667 156 HD12 LEU 22 2HD1 LEU 22 0.523 -5.134 -6.594 157 HD13 LEU 22 3HD1 LEU 22 1.562 -4.088 -7.562 158 HD21 LEU 22 3HD2 LEU 22 2.211 -5.911 -10.307 159 HD22 LEU 22 1HD2 LEU 22 2.900 -7.062 -9.161 160 HD23 LEU 22 2HD2 LEU 22 3.156 -5.331 -8.934 161 H VAL 23 H VAL 23 -1.584 -10.238 -8.690 162 HA VAL 23 HA VAL 23 -3.957 -8.746 -7.822 163 HB VAL 23 HB VAL 23 -4.281 -10.240 -9.734 164 HG11 VAL 23 1HG1 VAL 23 -4.244 -12.749 -9.193 165 HG12 VAL 23 2HG1 VAL 23 -2.702 -11.943 -9.489 166 HG13 VAL 23 3HG1 VAL 23 -3.209 -12.301 -7.838 167 HG21 VAL 23 3HG2 VAL 23 -5.652 -11.286 -7.259 168 HG22 VAL 23 1HG2 VAL 23 -6.123 -9.836 -8.146 169 HG23 VAL 23 2HG2 VAL 23 -6.234 -11.418 -8.918 170 H CYS 24 H CYS 24 -5.096 -9.305 -5.960 171 HA CYS 24 HA CYS 24 -3.634 -11.027 -4.066 172 HB2 CYS 24 1HB CYS 24 -3.357 -8.994 -3.041 173 HB3 CYS 24 2HB CYS 24 -4.824 -8.319 -3.742 174 H SER 25 H SER 25 -6.722 -10.034 -5.356 175 HA SER 25 HA SER 25 -8.330 -11.522 -3.535 176 HB2 SER 25 1HB SER 25 -9.088 -9.570 -4.982 177 HB3 SER 25 2HB SER 25 -9.115 -10.701 -6.334 178 HG SER 25 HG SER 25 -10.970 -10.316 -4.468 179 H ARG 26 H ARG 26 -7.467 -12.086 -6.951 180 HA ARG 26 HA ARG 26 -8.625 -14.522 -7.361 181 HB2 ARG 26 1HB ARG 26 -6.030 -13.378 -8.356 182 HB3 ARG 26 2HB ARG 26 -6.555 -14.983 -8.846 183 HG2 ARG 26 1HG ARG 26 -8.651 -13.988 -9.706 184 HG3 ARG 26 2HG ARG 26 -8.013 -12.392 -9.309 185 HD2 ARG 26 1HD ARG 26 -6.119 -12.781 -10.814 186 HD3 ARG 26 2HD ARG 26 -6.767 -14.372 -11.213 187 HE ARG 26 HE ARG 26 -8.808 -12.736 -11.845 188 HH11 ARG 26 1HH1 ARG 26 -5.418 -12.688 -12.637 189 HH12 ARG 26 2HH1 ARG 26 -5.653 -11.915 -14.169 190 HH21 ARG 26 1HH2 ARG 26 -9.130 -11.718 -13.861 191 HH22 ARG 26 2HH2 ARG 26 -7.765 -11.363 -14.864 192 H LYS 27 H LYS 27 -5.301 -14.044 -6.157 193 HA LYS 27 HA LYS 27 -5.241 -16.826 -5.269 194 HB2 LYS 27 1HB LYS 27 -2.992 -14.837 -5.033 195 HB3 LYS 27 2HB LYS 27 -2.895 -16.593 -5.066 196 HG2 LYS 27 1HG LYS 27 -3.875 -16.353 -7.453 197 HG3 LYS 27 2HG LYS 27 -3.323 -14.681 -7.319 198 HD2 LYS 27 1HD LYS 27 -1.089 -15.297 -7.186 199 HD3 LYS 27 2HD LYS 27 -1.470 -16.939 -6.662 200 HE2 LYS 27 1HE LYS 27 -0.633 -16.787 -9.003 201 HE3 LYS 27 2HE LYS 27 -2.224 -17.532 -8.856 202 HZ1 LYS 27 3HZ LYS 27 -3.247 -15.493 -9.553 203 HZ2 LYS 27 1HZ LYS 27 -2.074 -15.926 -10.692 204 HZ3 LYS 27 2HZ LYS 27 -1.758 -14.691 -9.581 205 H THR 28 H THR 28 -3.527 -16.700 -3.139 206 HA THR 28 HA THR 28 -5.192 -16.304 -0.968 207 HB THR 28 HB THR 28 -2.361 -15.836 -0.350 208 HG1 THR 28 HG1 THR 28 -3.173 -18.157 -1.794 209 HG21 THR 28 3HG2 THR 28 -4.657 -17.254 0.690 210 HG22 THR 28 1HG2 THR 28 -3.196 -16.723 1.521 211 HG23 THR 28 2HG2 THR 28 -3.221 -18.276 0.687 212 H ARG 29 H ARG 29 -4.490 -14.791 0.943 213 HA ARG 29 HA ARG 29 -5.255 -12.210 0.347 214 HB2 ARG 29 1HB ARG 29 -4.196 -11.608 2.568 215 HB3 ARG 29 2HB ARG 29 -5.369 -12.918 2.606 216 HG2 ARG 29 1HG ARG 29 -3.655 -13.703 3.945 217 HG3 ARG 29 2HG ARG 29 -3.322 -14.465 2.389 218 HD2 ARG 29 1HD ARG 29 -1.306 -13.538 2.361 219 HD3 ARG 29 2HD ARG 29 -2.038 -11.935 2.420 220 HE ARG 29 HE ARG 29 -1.555 -11.820 4.668 221 HH11 ARG 29 1HH1 ARG 29 -1.031 -15.061 3.509 222 HH12 ARG 29 2HH1 ARG 29 -0.236 -15.589 4.956 223 HH21 ARG 29 1HH2 ARG 29 -0.511 -12.503 6.577 224 HH22 ARG 29 2HH2 ARG 29 0.058 -14.133 6.700 225 H ALA 30 H ALA 30 -2.193 -13.689 -0.098 226 HA ALA 30 HA ALA 30 -0.608 -11.311 -0.068 227 HB1 ALA 30 1HB ALA 30 0.899 -12.995 -1.506 228 HB2 ALA 30 2HB ALA 30 0.784 -13.064 0.253 229 HB3 ALA 30 3HB ALA 30 -0.184 -14.156 -0.738 230 H CYS 31 H CYS 31 0.014 -10.001 -1.725 231 HA CYS 31 HA CYS 31 -1.475 -10.301 -4.232 232 HB2 CYS 31 1HB CYS 31 -1.300 -8.138 -2.649 233 HB3 CYS 31 2HB CYS 31 0.093 -7.839 -3.684 234 H LYS 32 H LYS 32 -0.449 -11.160 -5.900 235 HA LYS 32 HA LYS 32 2.301 -10.384 -6.465 236 HB2 LYS 32 1HB LYS 32 3.177 -12.567 -6.593 237 HB3 LYS 32 2HB LYS 32 2.286 -12.526 -5.077 238 HG2 LYS 32 1HG LYS 32 0.431 -13.380 -6.966 239 HG3 LYS 32 2HG LYS 32 1.926 -14.222 -7.378 240 HD2 LYS 32 1HD LYS 32 1.316 -14.153 -4.509 241 HD3 LYS 32 2HD LYS 32 0.144 -15.042 -5.486 242 HE2 LYS 32 1HE LYS 32 3.128 -15.489 -5.446 243 HE3 LYS 32 2HE LYS 32 1.919 -16.509 -4.669 244 HZ1 LYS 32 3HZ LYS 32 2.309 -17.600 -6.643 245 HZ2 LYS 32 1HZ LYS 32 2.490 -16.175 -7.537 246 HZ3 LYS 32 2HZ LYS 32 0.952 -16.671 -7.039 247 H TYR 33 H TYR 33 2.903 -10.644 -8.645 248 HA TYR 33 HA TYR 33 0.809 -10.319 -10.508 249 HB2 TYR 33 1HB TYR 33 2.505 -10.132 -12.166 250 HB3 TYR 33 2HB TYR 33 3.171 -9.422 -10.700 251 HD1 TYR 33 HD2 TYR 33 4.741 -10.850 -9.289 252 HD2 TYR 33 HD1 TYR 33 3.616 -11.884 -13.260 253 HE1 TYR 33 HE2 TYR 33 6.688 -12.344 -9.445 254 HE2 TYR 33 HE1 TYR 33 5.560 -13.382 -13.427 255 HH TYR 33 HH TYR 33 7.984 -13.536 -10.880 256 H GLN 34 H GLN 34 -0.184 -11.702 -11.873 257 HA GLN 34 HA GLN 34 -0.335 -14.415 -11.308 258 HB2 GLN 34 1HB GLN 34 -1.488 -14.628 -13.493 259 HB3 GLN 34 2HB GLN 34 -2.093 -13.289 -12.525 260 HG2 GLN 34 1HG GLN 34 -1.944 -12.281 -14.557 261 HG3 GLN 34 2HG GLN 34 -0.344 -11.915 -13.915 262 HE21 GLN 34 2HE2 GLN 34 0.225 -11.639 -16.168 263 HE22 GLN 34 1HE2 GLN 34 0.648 -13.023 -17.111 264 H ILE 35 H ILE 35 0.444 -16.272 -12.352 265 HA ILE 35 HA ILE 35 3.149 -16.084 -13.245 266 HB ILE 35 HB ILE 35 1.333 -18.494 -13.344 267 HG12 ILE 35 1HG1 ILE 35 3.222 -17.614 -11.150 268 HG13 ILE 35 2HG1 ILE 35 1.467 -17.502 -11.077 269 HG21 ILE 35 1HG2 ILE 35 3.444 -18.568 -14.685 270 HG22 ILE 35 2HG2 ILE 35 4.337 -18.375 -13.178 271 HG23 ILE 35 3HG2 ILE 35 3.328 -19.799 -13.428 272 HD11 ILE 35 3HD1 ILE 35 3.172 -19.968 -11.103 273 HD12 ILE 35 1HD1 ILE 35 2.048 -19.421 -9.860 274 HD13 ILE 35 2HD1 ILE 35 1.435 -20.008 -11.406 Start of MODEL 6 1 H1 GLU 1 H GLU 1 0.256 0.626 -0.532 2 HA GLU 1 HA GLU 1 2.996 0.553 -1.610 3 HB2 GLU 1 1HB GLU 1 1.774 -0.589 0.873 4 HB3 GLU 1 2HB GLU 1 3.169 -1.382 0.154 5 HG2 GLU 1 1HG GLU 1 4.063 0.045 1.762 6 HG3 GLU 1 2HG GLU 1 4.304 0.891 0.235 7 H CYS 2 H CYS 2 2.987 -0.516 -3.481 8 HA CYS 2 HA CYS 2 1.082 -2.557 -4.103 9 HB2 CYS 2 1HB CYS 2 3.617 -2.100 -5.649 10 HB3 CYS 2 2HB CYS 2 2.036 -2.600 -6.242 11 H LEU 3 H LEU 3 1.218 -4.684 -3.792 12 HA LEU 3 HA LEU 3 3.782 -5.778 -2.848 13 HB2 LEU 3 1HB LEU 3 1.345 -7.364 -2.435 14 HB3 LEU 3 2HB LEU 3 2.690 -7.044 -1.342 15 HG LEU 3 HG LEU 3 0.731 -4.863 -1.888 16 HD11 LEU 3 1HD1 LEU 3 -0.986 -5.780 -0.796 17 HD12 LEU 3 2HD1 LEU 3 0.060 -6.512 0.420 18 HD13 LEU 3 3HD1 LEU 3 -0.200 -7.326 -1.122 19 HD21 LEU 3 3HD2 LEU 3 1.671 -5.411 0.824 20 HD22 LEU 3 1HD2 LEU 3 1.673 -3.907 -0.098 21 HD23 LEU 3 2HD2 LEU 3 2.966 -5.084 -0.328 22 H GLU 4 H GLU 4 4.624 -6.255 -4.890 23 HA GLU 4 HA GLU 4 3.118 -8.067 -6.611 24 HB2 GLU 4 1HB GLU 4 4.746 -7.627 -8.289 25 HB3 GLU 4 2HB GLU 4 4.383 -6.086 -7.525 26 HG2 GLU 4 1HG GLU 4 6.436 -6.559 -6.061 27 HG3 GLU 4 2HG GLU 4 6.840 -7.773 -7.274 28 H ILE 5 H ILE 5 5.555 -8.146 -4.218 29 HA ILE 5 HA ILE 5 6.851 -10.550 -5.090 30 HB ILE 5 HB ILE 5 8.065 -8.989 -3.686 31 HG12 ILE 5 1HG1 ILE 5 8.973 -10.549 -2.070 32 HG13 ILE 5 2HG1 ILE 5 7.505 -11.519 -2.125 33 HG21 ILE 5 1HG2 ILE 5 5.644 -8.931 -2.210 34 HG22 ILE 5 2HG2 ILE 5 6.929 -9.466 -1.129 35 HG23 ILE 5 3HG2 ILE 5 7.086 -7.939 -1.996 36 HD11 ILE 5 3HD1 ILE 5 9.321 -12.548 -3.377 37 HD12 ILE 5 1HD1 ILE 5 7.974 -12.119 -4.431 38 HD13 ILE 5 2HD1 ILE 5 9.426 -11.119 -4.405 39 H PHE 6 H PHE 6 3.944 -9.838 -3.458 40 HA PHE 6 HA PHE 6 2.298 -11.554 -3.204 41 HB2 PHE 6 1HB PHE 6 2.839 -13.767 -2.964 42 HB3 PHE 6 2HB PHE 6 4.319 -13.206 -3.736 43 HD1 PHE 6 HD2 PHE 6 5.506 -11.783 -1.352 44 HD2 PHE 6 HD1 PHE 6 3.674 -15.603 -1.761 45 HE1 PHE 6 HE2 PHE 6 6.815 -12.612 0.558 46 HE2 PHE 6 HE1 PHE 6 4.980 -16.438 0.150 47 HZ PHE 6 HZ PHE 6 6.554 -14.942 1.311 48 H LYS 7 H LYS 7 3.402 -9.425 -1.553 49 HA LYS 7 HA LYS 7 3.515 -10.363 1.155 50 HB2 LYS 7 1HB LYS 7 4.372 -8.103 -0.076 51 HB3 LYS 7 2HB LYS 7 2.885 -7.518 0.659 52 HG2 LYS 7 1HG LYS 7 4.365 -7.080 2.334 53 HG3 LYS 7 2HG LYS 7 3.855 -8.707 2.793 54 HD2 LYS 7 1HD LYS 7 5.825 -9.657 1.766 55 HD3 LYS 7 2HD LYS 7 6.308 -8.074 1.153 56 HE2 LYS 7 1HE LYS 7 6.799 -7.274 3.310 57 HE3 LYS 7 2HE LYS 7 5.935 -8.599 4.087 58 HZ1 LYS 7 3HZ LYS 7 7.694 -9.958 3.912 59 HZ2 LYS 7 1HZ LYS 7 8.584 -8.527 3.762 60 HZ3 LYS 7 2HZ LYS 7 8.135 -9.393 2.380 61 H ALA 8 H ALA 8 1.948 -10.342 2.707 62 HA ALA 8 HA ALA 8 -0.674 -10.811 2.107 63 HB1 ALA 8 1HB ALA 8 -1.187 -10.484 4.412 64 HB2 ALA 8 2HB ALA 8 0.442 -11.153 4.322 65 HB3 ALA 8 3HB ALA 8 0.212 -9.433 4.635 66 H CYS 9 H CYS 9 -2.081 -9.600 1.033 67 HA CYS 9 HA CYS 9 -1.895 -6.702 1.097 68 HB2 CYS 9 1HB CYS 9 -2.804 -6.797 -0.948 69 HB3 CYS 9 2HB CYS 9 -2.652 -8.548 -0.842 70 H ASN 10 H ASN 10 -3.565 -5.317 1.743 71 HA ASN 10 HA ASN 10 -5.204 -6.379 3.888 72 HB2 ASN 10 1HB ASN 10 -4.327 -3.678 3.003 73 HB3 ASN 10 2HB ASN 10 -5.851 -3.780 3.880 74 HD21 ASN 10 2HD2 ASN 10 -5.267 -2.888 5.771 75 HD22 ASN 10 1HD2 ASN 10 -4.052 -3.527 6.820 76 HA PRO 11 HA PRO 11 -8.977 -6.638 1.652 77 HB2 PRO 11 1HB PRO 11 -10.757 -6.120 3.636 78 HB3 PRO 11 2HB PRO 11 -9.861 -7.639 3.522 79 HG2 PRO 11 1HG PRO 11 -9.312 -5.240 5.226 80 HG3 PRO 11 2HG PRO 11 -9.235 -6.959 5.656 81 HD2 PRO 11 1HD PRO 11 -7.028 -5.502 5.074 82 HD3 PRO 11 2HD PRO 11 -7.155 -7.234 4.701 83 H SER 12 H SER 12 -8.652 -3.816 3.788 84 HA SER 12 HA SER 12 -10.325 -2.270 1.930 85 HB2 SER 12 1HB SER 12 -9.524 -1.667 4.787 86 HB3 SER 12 2HB SER 12 -10.541 -0.638 3.779 87 HG SER 12 HG SER 12 -12.078 -2.278 3.721 88 H ASN 13 H ASN 13 -7.282 -2.122 3.750 89 HA ASN 13 HA ASN 13 -6.394 0.318 2.624 90 HB2 ASN 13 1HB ASN 13 -5.558 -1.114 4.713 91 HB3 ASN 13 2HB ASN 13 -4.405 -1.710 3.523 92 HD21 ASN 13 2HD2 ASN 13 -2.647 -0.549 3.157 93 HD22 ASN 13 1HD2 ASN 13 -2.392 1.080 3.674 94 H ASP 14 H ASP 14 -6.587 0.263 0.397 95 HA ASP 14 HA ASP 14 -5.808 -1.754 -1.331 96 HB2 ASP 14 1HB ASP 14 -7.027 0.494 -1.799 97 HB3 ASP 14 2HB ASP 14 -5.405 1.135 -2.049 98 H GLN 15 H GLN 15 -3.900 -2.747 -1.335 99 HA GLN 15 HA GLN 15 -1.464 -1.162 -0.927 100 HB2 GLN 15 1HB GLN 15 -2.139 -4.056 -0.553 101 HB3 GLN 15 2HB GLN 15 -0.465 -3.577 -0.796 102 HG2 GLN 15 1HG GLN 15 -0.976 -1.883 1.122 103 HG3 GLN 15 2HG GLN 15 -2.289 -3.001 1.485 104 HE21 GLN 15 2HE2 GLN 15 0.961 -2.314 1.920 105 HE22 GLN 15 1HE2 GLN 15 1.454 -3.818 2.611 106 H CYS 16 H CYS 16 -2.346 -4.037 -2.849 107 HA CYS 16 HA CYS 16 -0.385 -4.056 -4.700 108 HB2 CYS 16 1HB CYS 16 -3.213 -4.357 -5.659 109 HB3 CYS 16 2HB CYS 16 -1.787 -5.291 -6.102 110 H CYS 17 H CYS 17 -0.007 -3.153 -6.754 111 HA CYS 17 HA CYS 17 -0.574 -0.373 -6.942 112 HB2 CYS 17 1HB CYS 17 1.084 -2.322 -8.336 113 HB3 CYS 17 2HB CYS 17 0.365 -1.152 -9.438 114 H LYS 18 H LYS 18 -1.116 0.275 -9.466 115 HA LYS 18 HA LYS 18 -3.878 -0.632 -9.785 116 HB2 LYS 18 1HB LYS 18 -2.354 1.807 -10.581 117 HB3 LYS 18 2HB LYS 18 -3.755 1.350 -11.541 118 HG2 LYS 18 1HG LYS 18 -4.436 2.936 -9.887 119 HG3 LYS 18 2HG LYS 18 -5.118 1.362 -9.473 120 HD2 LYS 18 1HD LYS 18 -3.696 1.075 -7.670 121 HD3 LYS 18 2HD LYS 18 -2.495 2.201 -8.308 122 HE2 LYS 18 1HE LYS 18 -3.713 3.099 -6.357 123 HE3 LYS 18 2HE LYS 18 -3.928 4.077 -7.808 124 HZ1 LYS 18 3HZ LYS 18 -6.099 3.346 -8.073 125 HZ2 LYS 18 1HZ LYS 18 -5.972 3.539 -6.397 126 HZ3 LYS 18 2HZ LYS 18 -5.888 1.994 -7.079 127 H SER 19 H SER 19 -1.608 0.534 -12.244 128 HA SER 19 HA SER 19 -2.583 -1.105 -14.281 129 HB2 SER 19 1HB SER 19 0.165 0.139 -14.011 130 HB3 SER 19 2HB SER 19 -0.516 -0.510 -15.503 131 HG SER 19 HG SER 19 -0.713 1.896 -14.865 132 H SER 20 H SER 20 -0.413 -1.794 -11.703 133 HA SER 20 HA SER 20 1.057 -3.914 -12.806 134 HB2 SER 20 1HB SER 20 0.183 -3.603 -9.924 135 HB3 SER 20 2HB SER 20 1.542 -4.561 -10.513 136 HG SER 20 HG SER 20 1.496 -1.868 -11.210 137 H LYS 21 H LYS 21 0.797 -6.172 -12.631 138 HA LYS 21 HA LYS 21 -1.970 -7.025 -12.827 139 HB2 LYS 21 1HB LYS 21 0.673 -8.140 -13.584 140 HB3 LYS 21 2HB LYS 21 -0.587 -9.303 -13.193 141 HG2 LYS 21 1HG LYS 21 -1.063 -7.083 -15.149 142 HG3 LYS 21 2HG LYS 21 -0.307 -8.603 -15.635 143 HD2 LYS 21 1HD LYS 21 -2.229 -9.854 -15.039 144 HD3 LYS 21 2HD LYS 21 -2.942 -8.485 -14.183 145 HE2 LYS 21 1HE LYS 21 -4.096 -8.640 -16.236 146 HE3 LYS 21 2HE LYS 21 -2.981 -7.286 -16.411 147 HZ1 LYS 21 3HZ LYS 21 -2.885 -9.943 -17.660 148 HZ2 LYS 21 1HZ LYS 21 -1.437 -9.108 -17.395 149 HZ3 LYS 21 2HZ LYS 21 -2.646 -8.420 -18.357 150 H LEU 22 H LEU 22 0.551 -7.028 -10.510 151 HA LEU 22 HA LEU 22 0.296 -9.229 -8.982 152 HB2 LEU 22 1HB LEU 22 0.127 -7.124 -7.126 153 HB3 LEU 22 2HB LEU 22 1.566 -7.988 -7.663 154 HG LEU 22 HG LEU 22 0.554 -5.679 -9.267 155 HD11 LEU 22 1HD1 LEU 22 2.328 -5.400 -6.848 156 HD12 LEU 22 2HD1 LEU 22 0.628 -4.937 -6.901 157 HD13 LEU 22 3HD1 LEU 22 1.798 -4.117 -7.936 158 HD21 LEU 22 3HD2 LEU 22 2.353 -6.340 -10.414 159 HD22 LEU 22 1HD2 LEU 22 2.944 -7.338 -9.084 160 HD23 LEU 22 2HD2 LEU 22 3.296 -5.610 -9.114 161 H VAL 23 H VAL 23 -1.521 -10.337 -8.615 162 HA VAL 23 HA VAL 23 -3.938 -8.890 -7.794 163 HB VAL 23 HB VAL 23 -4.195 -10.444 -9.676 164 HG11 VAL 23 1HG1 VAL 23 -4.048 -12.891 -9.234 165 HG12 VAL 23 2HG1 VAL 23 -2.492 -12.060 -9.184 166 HG13 VAL 23 3HG1 VAL 23 -3.296 -12.519 -7.683 167 HG21 VAL 23 3HG2 VAL 23 -5.596 -11.541 -7.245 168 HG22 VAL 23 1HG2 VAL 23 -6.032 -10.017 -8.018 169 HG23 VAL 23 2HG2 VAL 23 -6.172 -11.531 -8.912 170 H CYS 24 H CYS 24 -5.041 -9.386 -5.909 171 HA CYS 24 HA CYS 24 -3.573 -11.064 -3.981 172 HB2 CYS 24 1HB CYS 24 -3.295 -9.073 -2.923 173 HB3 CYS 24 2HB CYS 24 -4.654 -8.324 -3.754 174 H SER 25 H SER 25 -6.658 -10.112 -5.296 175 HA SER 25 HA SER 25 -8.260 -11.551 -3.424 176 HB2 SER 25 1HB SER 25 -8.971 -9.614 -4.975 177 HB3 SER 25 2HB SER 25 -9.125 -10.850 -6.223 178 HG SER 25 HG SER 25 -10.977 -11.321 -5.378 179 H ARG 26 H ARG 26 -7.480 -12.172 -6.851 180 HA ARG 26 HA ARG 26 -8.631 -14.625 -7.176 181 HB2 ARG 26 1HB ARG 26 -6.044 -13.537 -8.271 182 HB3 ARG 26 2HB ARG 26 -6.677 -15.103 -8.760 183 HG2 ARG 26 1HG ARG 26 -8.701 -14.043 -9.594 184 HG3 ARG 26 2HG ARG 26 -8.101 -12.468 -9.070 185 HD2 ARG 26 1HD ARG 26 -7.491 -12.432 -11.278 186 HD3 ARG 26 2HD ARG 26 -6.037 -13.119 -10.555 187 HE ARG 26 HE ARG 26 -6.451 -15.065 -11.679 188 HH11 ARG 26 1HH1 ARG 26 -9.360 -13.153 -11.624 189 HH12 ARG 26 2HH1 ARG 26 -10.228 -14.206 -12.691 190 HH21 ARG 26 1HH2 ARG 26 -7.583 -16.459 -13.086 191 HH22 ARG 26 2HH2 ARG 26 -9.217 -16.086 -13.521 192 H LYS 27 H LYS 27 -5.278 -14.087 -6.085 193 HA LYS 27 HA LYS 27 -5.129 -16.858 -5.186 194 HB2 LYS 27 1HB LYS 27 -2.993 -14.720 -5.127 195 HB3 LYS 27 2HB LYS 27 -2.760 -16.442 -4.859 196 HG2 LYS 27 1HG LYS 27 -3.949 -15.555 -7.435 197 HG3 LYS 27 2HG LYS 27 -2.218 -15.334 -7.175 198 HD2 LYS 27 1HD LYS 27 -1.977 -17.713 -6.692 199 HD3 LYS 27 2HD LYS 27 -3.714 -17.943 -6.910 200 HE2 LYS 27 1HE LYS 27 -2.086 -16.726 -9.101 201 HE3 LYS 27 2HE LYS 27 -2.063 -18.473 -8.861 202 HZ1 LYS 27 3HZ LYS 27 -4.124 -16.808 -9.966 203 HZ2 LYS 27 1HZ LYS 27 -4.702 -17.869 -8.782 204 HZ3 LYS 27 2HZ LYS 27 -3.878 -18.474 -10.129 205 H THR 28 H THR 28 -3.408 -16.699 -3.072 206 HA THR 28 HA THR 28 -5.045 -16.381 -0.879 207 HB THR 28 HB THR 28 -2.235 -15.755 -0.303 208 HG1 THR 28 HG1 THR 28 -2.877 -18.224 -1.575 209 HG21 THR 28 3HG2 THR 28 -3.127 -16.613 1.576 210 HG22 THR 28 1HG2 THR 28 -2.821 -18.176 0.819 211 HG23 THR 28 2HG2 THR 28 -4.418 -17.435 0.701 212 H ARG 29 H ARG 29 -4.522 -14.836 1.011 213 HA ARG 29 HA ARG 29 -5.382 -12.293 0.403 214 HB2 ARG 29 1HB ARG 29 -3.857 -13.398 2.743 215 HB3 ARG 29 2HB ARG 29 -4.252 -11.686 2.661 216 HG2 ARG 29 1HG ARG 29 -5.957 -12.665 3.936 217 HG3 ARG 29 2HG ARG 29 -6.661 -12.403 2.340 218 HD2 ARG 29 1HD ARG 29 -6.513 -14.682 1.783 219 HD3 ARG 29 2HD ARG 29 -5.401 -15.017 3.109 220 HE ARG 29 HE ARG 29 -7.649 -14.173 4.366 221 HH11 ARG 29 1HH1 ARG 29 -6.998 -16.616 1.973 222 HH12 ARG 29 2HH1 ARG 29 -8.283 -17.655 2.495 223 HH21 ARG 29 1HH2 ARG 29 -9.344 -15.531 5.062 224 HH22 ARG 29 2HH2 ARG 29 -9.618 -17.036 4.251 225 H ALA 30 H ALA 30 -2.225 -13.615 0.074 226 HA ALA 30 HA ALA 30 -0.799 -11.130 0.107 227 HB1 ALA 30 1HB ALA 30 0.819 -12.865 -1.251 228 HB2 ALA 30 2HB ALA 30 0.773 -12.672 0.501 229 HB3 ALA 30 3HB ALA 30 -0.159 -13.956 -0.269 230 H CYS 31 H CYS 31 -0.060 -9.915 -1.608 231 HA CYS 31 HA CYS 31 -1.472 -10.350 -4.140 232 HB2 CYS 31 1HB CYS 31 -1.298 -8.100 -2.640 233 HB3 CYS 31 2HB CYS 31 0.058 -7.852 -3.735 234 H LYS 32 H LYS 32 -0.401 -11.225 -5.771 235 HA LYS 32 HA LYS 32 2.401 -10.527 -6.203 236 HB2 LYS 32 1HB LYS 32 3.193 -12.734 -6.313 237 HB3 LYS 32 2HB LYS 32 2.188 -12.707 -4.869 238 HG2 LYS 32 1HG LYS 32 0.379 -13.455 -6.743 239 HG3 LYS 32 2HG LYS 32 1.854 -14.187 -7.377 240 HD2 LYS 32 1HD LYS 32 1.164 -14.494 -4.484 241 HD3 LYS 32 2HD LYS 32 0.365 -15.506 -5.690 242 HE2 LYS 32 1HE LYS 32 3.348 -15.239 -5.651 243 HE3 LYS 32 2HE LYS 32 2.534 -16.357 -4.558 244 HZ1 LYS 32 3HZ LYS 32 3.017 -16.587 -7.375 245 HZ2 LYS 32 1HZ LYS 32 1.401 -16.882 -6.968 246 HZ3 LYS 32 2HZ LYS 32 2.633 -17.786 -6.244 247 H TYR 33 H TYR 33 3.102 -10.771 -8.356 248 HA TYR 33 HA TYR 33 1.363 -10.089 -10.351 249 HB2 TYR 33 1HB TYR 33 4.084 -11.224 -10.264 250 HB3 TYR 33 2HB TYR 33 3.229 -11.460 -11.784 251 HD1 TYR 33 HD2 TYR 33 2.071 -9.293 -12.747 252 HD2 TYR 33 HD1 TYR 33 5.284 -9.271 -9.958 253 HE1 TYR 33 HE2 TYR 33 2.637 -6.998 -13.426 254 HE2 TYR 33 HE1 TYR 33 5.859 -6.976 -10.629 255 HH TYR 33 HH TYR 33 4.570 -4.988 -11.678 256 H GLN 34 H GLN 34 -0.241 -11.078 -11.369 257 HA GLN 34 HA GLN 34 -1.135 -13.636 -10.831 258 HB2 GLN 34 1HB GLN 34 -2.288 -11.652 -12.057 259 HB3 GLN 34 2HB GLN 34 -1.619 -12.378 -13.512 260 HG2 GLN 34 1HG GLN 34 -2.741 -14.550 -12.552 261 HG3 GLN 34 2HG GLN 34 -3.744 -13.381 -11.694 262 HE21 GLN 34 2HE2 GLN 34 -5.293 -14.670 -13.133 263 HE22 GLN 34 1HE2 GLN 34 -5.647 -13.968 -14.671 264 H ILE 35 H ILE 35 0.344 -12.648 -13.926 265 HA ILE 35 HA ILE 35 0.820 -15.329 -14.742 266 HB ILE 35 HB ILE 35 2.121 -12.823 -15.813 267 HG12 ILE 35 1HG1 ILE 35 -0.305 -12.592 -15.871 268 HG13 ILE 35 2HG1 ILE 35 0.311 -12.848 -17.500 269 HG21 ILE 35 1HG2 ILE 35 2.146 -15.654 -16.589 270 HG22 ILE 35 2HG2 ILE 35 1.841 -14.523 -17.907 271 HG23 ILE 35 3HG2 ILE 35 3.304 -14.369 -16.935 272 HD11 ILE 35 3HD1 ILE 35 -1.172 -14.470 -17.718 273 HD12 ILE 35 1HD1 ILE 35 -0.267 -15.393 -16.519 274 HD13 ILE 35 2HD1 ILE 35 -1.611 -14.369 -16.013 Start of MODEL 7 1 H1 GLU 1 H GLU 1 3.601 1.364 -1.985 2 HA GLU 1 HA GLU 1 2.240 -0.223 0.002 3 HB2 GLU 1 1HB GLU 1 1.112 1.487 -2.223 4 HB3 GLU 1 2HB GLU 1 0.198 0.804 -0.886 5 HG2 GLU 1 1HG GLU 1 1.637 2.125 0.669 6 HG3 GLU 1 2HG GLU 1 2.334 2.913 -0.745 7 H CYS 2 H CYS 2 2.984 -0.442 -3.382 8 HA CYS 2 HA CYS 2 1.035 -2.453 -3.992 9 HB2 CYS 2 1HB CYS 2 3.536 -2.002 -5.593 10 HB3 CYS 2 2HB CYS 2 1.934 -2.471 -6.153 11 H LEU 3 H LEU 3 1.172 -4.593 -3.747 12 HA LEU 3 HA LEU 3 3.741 -5.708 -2.842 13 HB2 LEU 3 1HB LEU 3 1.329 -7.323 -2.445 14 HB3 LEU 3 2HB LEU 3 2.659 -6.978 -1.341 15 HG LEU 3 HG LEU 3 0.648 -4.844 -1.892 16 HD11 LEU 3 1HD1 LEU 3 -1.040 -5.787 -0.765 17 HD12 LEU 3 2HD1 LEU 3 0.036 -6.555 0.402 18 HD13 LEU 3 3HD1 LEU 3 -0.248 -7.312 -1.165 19 HD21 LEU 3 3HD2 LEU 3 1.569 -5.348 0.827 20 HD22 LEU 3 1HD2 LEU 3 1.583 -3.860 -0.119 21 HD23 LEU 3 2HD2 LEU 3 2.884 -5.035 -0.308 22 H GLU 4 H GLU 4 4.573 -6.144 -4.897 23 HA GLU 4 HA GLU 4 3.054 -7.915 -6.649 24 HB2 GLU 4 1HB GLU 4 4.660 -7.434 -8.330 25 HB3 GLU 4 2HB GLU 4 4.327 -5.911 -7.517 26 HG2 GLU 4 1HG GLU 4 6.390 -6.419 -6.102 27 HG3 GLU 4 2HG GLU 4 6.761 -7.645 -7.314 28 H ILE 5 H ILE 5 5.504 -8.049 -4.272 29 HA ILE 5 HA ILE 5 6.787 -10.439 -5.204 30 HB ILE 5 HB ILE 5 8.016 -8.903 -3.781 31 HG12 ILE 5 1HG1 ILE 5 8.944 -10.499 -2.212 32 HG13 ILE 5 2HG1 ILE 5 7.477 -11.471 -2.275 33 HG21 ILE 5 1HG2 ILE 5 5.618 -8.833 -2.302 34 HG22 ILE 5 2HG2 ILE 5 6.864 -9.472 -1.231 35 HG23 ILE 5 3HG2 ILE 5 7.096 -7.913 -2.022 36 HD11 ILE 5 3HD1 ILE 5 9.275 -12.470 -3.570 37 HD12 ILE 5 1HD1 ILE 5 7.924 -12.006 -4.604 38 HD13 ILE 5 2HD1 ILE 5 9.381 -11.013 -4.559 39 H PHE 6 H PHE 6 3.896 -9.751 -3.537 40 HA PHE 6 HA PHE 6 2.250 -11.471 -3.301 41 HB2 PHE 6 1HB PHE 6 2.792 -13.689 -3.078 42 HB3 PHE 6 2HB PHE 6 4.255 -13.118 -3.874 43 HD1 PHE 6 HD2 PHE 6 5.438 -11.696 -1.459 44 HD2 PHE 6 HD1 PHE 6 3.702 -15.551 -1.950 45 HE1 PHE 6 HE2 PHE 6 6.786 -12.538 0.418 46 HE2 PHE 6 HE1 PHE 6 5.047 -16.399 -0.072 47 HZ PHE 6 HZ PHE 6 6.592 -14.893 1.114 48 H LYS 7 H LYS 7 3.417 -9.374 -1.618 49 HA LYS 7 HA LYS 7 3.542 -10.333 1.070 50 HB2 LYS 7 1HB LYS 7 4.330 -8.038 -0.154 51 HB3 LYS 7 2HB LYS 7 2.853 -7.496 0.633 52 HG2 LYS 7 1HG LYS 7 4.413 -7.052 2.248 53 HG3 LYS 7 2HG LYS 7 3.877 -8.664 2.728 54 HD2 LYS 7 1HD LYS 7 5.799 -9.661 1.639 55 HD3 LYS 7 2HD LYS 7 6.312 -8.080 1.043 56 HE2 LYS 7 1HE LYS 7 6.774 -7.314 3.251 57 HE3 LYS 7 2HE LYS 7 6.010 -8.732 3.967 58 HZ1 LYS 7 3HZ LYS 7 7.853 -9.923 2.515 59 HZ2 LYS 7 1HZ LYS 7 8.158 -9.384 4.089 60 HZ3 LYS 7 2HZ LYS 7 8.653 -8.454 2.767 61 H ALA 8 H ALA 8 2.008 -10.254 2.680 62 HA ALA 8 HA ALA 8 -0.614 -10.815 2.119 63 HB1 ALA 8 1HB ALA 8 0.364 -9.413 4.604 64 HB2 ALA 8 2HB ALA 8 -1.111 -10.368 4.442 65 HB3 ALA 8 3HB ALA 8 0.464 -11.150 4.312 66 H CYS 9 H CYS 9 -2.069 -9.655 1.052 67 HA CYS 9 HA CYS 9 -1.947 -6.752 1.065 68 HB2 CYS 9 1HB CYS 9 -2.872 -6.909 -0.969 69 HB3 CYS 9 2HB CYS 9 -2.701 -8.655 -0.827 70 H ASN 10 H ASN 10 -3.673 -5.400 1.674 71 HA ASN 10 HA ASN 10 -5.287 -6.499 3.838 72 HB2 ASN 10 1HB ASN 10 -4.321 -3.805 3.065 73 HB3 ASN 10 2HB ASN 10 -5.888 -3.869 3.865 74 HD21 ASN 10 2HD2 ASN 10 -3.054 -3.004 4.616 75 HD22 ASN 10 1HD2 ASN 10 -2.811 -3.729 6.166 76 HA PRO 11 HA PRO 11 -9.055 -6.622 1.581 77 HB2 PRO 11 1HB PRO 11 -10.834 -6.139 3.575 78 HB3 PRO 11 2HB PRO 11 -9.963 -7.669 3.414 79 HG2 PRO 11 1HG PRO 11 -9.381 -5.336 5.198 80 HG3 PRO 11 2HG PRO 11 -9.335 -7.069 5.571 81 HD2 PRO 11 1HD PRO 11 -7.101 -5.631 5.045 82 HD3 PRO 11 2HD PRO 11 -7.256 -7.347 4.616 83 H SER 12 H SER 12 -8.748 -3.889 3.839 84 HA SER 12 HA SER 12 -10.387 -2.256 2.033 85 HB2 SER 12 1HB SER 12 -9.742 -2.117 4.950 86 HB3 SER 12 2HB SER 12 -10.139 -0.624 4.099 87 HG SER 12 HG SER 12 -12.070 -1.368 4.743 88 H ASN 13 H ASN 13 -7.329 -2.158 3.843 89 HA ASN 13 HA ASN 13 -6.419 0.276 2.728 90 HB2 ASN 13 1HB ASN 13 -5.296 -1.876 4.399 91 HB3 ASN 13 2HB ASN 13 -4.115 -1.018 3.414 92 HD21 ASN 13 2HD2 ASN 13 -4.560 1.465 3.443 93 HD22 ASN 13 1HD2 ASN 13 -4.758 2.137 5.022 94 H ASP 14 H ASP 14 -6.662 0.209 0.496 95 HA ASP 14 HA ASP 14 -5.869 -1.802 -1.236 96 HB2 ASP 14 1HB ASP 14 -5.797 1.183 -1.729 97 HB3 ASP 14 2HB ASP 14 -5.778 -0.063 -2.974 98 H GLN 15 H GLN 15 -3.934 -2.764 -1.130 99 HA GLN 15 HA GLN 15 -1.532 -1.128 -0.787 100 HB2 GLN 15 1HB GLN 15 -2.100 -4.066 -0.508 101 HB3 GLN 15 2HB GLN 15 -0.450 -3.472 -0.640 102 HG2 GLN 15 1HG GLN 15 -1.187 -1.888 1.306 103 HG3 GLN 15 2HG GLN 15 -2.425 -3.117 1.557 104 HE21 GLN 15 2HE2 GLN 15 -1.816 -5.183 2.203 105 HE22 GLN 15 1HE2 GLN 15 -0.253 -5.516 2.861 106 H CYS 16 H CYS 16 -2.385 -3.987 -2.748 107 HA CYS 16 HA CYS 16 -0.432 -3.952 -4.609 108 HB2 CYS 16 1HB CYS 16 -3.262 -4.277 -5.555 109 HB3 CYS 16 2HB CYS 16 -1.827 -5.183 -6.023 110 H CYS 17 H CYS 17 -0.079 -3.013 -6.652 111 HA CYS 17 HA CYS 17 -0.673 -0.239 -6.793 112 HB2 CYS 17 1HB CYS 17 0.976 -2.157 -8.244 113 HB3 CYS 17 2HB CYS 17 0.241 -0.965 -9.311 114 H LYS 18 H LYS 18 -1.262 0.458 -9.286 115 HA LYS 18 HA LYS 18 -4.011 -0.496 -9.600 116 HB2 LYS 18 1HB LYS 18 -2.677 1.893 -10.884 117 HB3 LYS 18 2HB LYS 18 -4.396 1.524 -10.885 118 HG2 LYS 18 1HG LYS 18 -2.681 2.427 -8.597 119 HG3 LYS 18 2HG LYS 18 -4.123 3.194 -9.269 120 HD2 LYS 18 1HD LYS 18 -4.019 0.590 -7.746 121 HD3 LYS 18 2HD LYS 18 -4.647 2.128 -7.151 122 HE2 LYS 18 1HE LYS 18 -5.748 0.507 -9.446 123 HE3 LYS 18 2HE LYS 18 -6.465 0.670 -7.843 124 HZ1 LYS 18 3HZ LYS 18 -6.500 2.510 -10.080 125 HZ2 LYS 18 1HZ LYS 18 -6.232 3.227 -8.571 126 HZ3 LYS 18 2HZ LYS 18 -7.622 2.300 -8.832 127 H SER 19 H SER 19 -1.702 0.766 -11.988 128 HA SER 19 HA SER 19 -2.689 -0.792 -14.100 129 HB2 SER 19 1HB SER 19 -1.355 1.280 -14.398 130 HB3 SER 19 2HB SER 19 0.076 0.416 -13.835 131 HG SER 19 HG SER 19 -1.277 0.239 -16.257 132 H SER 20 H SER 20 -0.578 -1.578 -11.525 133 HA SER 20 HA SER 20 0.940 -3.628 -12.728 134 HB2 SER 20 1HB SER 20 0.106 -3.413 -9.826 135 HB3 SER 20 2HB SER 20 1.467 -4.336 -10.463 136 HG SER 20 HG SER 20 2.117 -2.134 -11.322 137 H LYS 21 H LYS 21 0.705 -5.894 -12.615 138 HA LYS 21 HA LYS 21 -2.050 -6.770 -12.815 139 HB2 LYS 21 1HB LYS 21 0.550 -8.252 -13.247 140 HB3 LYS 21 2HB LYS 21 -1.048 -8.920 -13.551 141 HG2 LYS 21 1HG LYS 21 -1.405 -7.573 -15.396 142 HG3 LYS 21 2HG LYS 21 -0.201 -6.386 -14.889 143 HD2 LYS 21 1HD LYS 21 0.717 -7.588 -16.731 144 HD3 LYS 21 2HD LYS 21 1.552 -8.140 -15.278 145 HE2 LYS 21 1HE LYS 21 0.455 -10.190 -15.278 146 HE3 LYS 21 2HE LYS 21 -0.859 -9.597 -16.293 147 HZ1 LYS 21 3HZ LYS 21 1.584 -10.824 -17.061 148 HZ2 LYS 21 1HZ LYS 21 1.423 -9.312 -17.802 149 HZ3 LYS 21 2HZ LYS 21 0.218 -10.482 -17.999 150 H LEU 22 H LEU 22 0.467 -6.793 -10.494 151 HA LEU 22 HA LEU 22 0.227 -9.023 -9.007 152 HB2 LEU 22 1HB LEU 22 0.033 -6.937 -7.122 153 HB3 LEU 22 2HB LEU 22 1.475 -7.803 -7.649 154 HG LEU 22 HG LEU 22 0.482 -5.467 -9.231 155 HD11 LEU 22 1HD1 LEU 22 2.284 -5.239 -6.828 156 HD12 LEU 22 2HD1 LEU 22 0.584 -4.774 -6.845 157 HD13 LEU 22 3HD1 LEU 22 1.737 -3.937 -7.884 158 HD21 LEU 22 3HD2 LEU 22 2.267 -6.126 -10.399 159 HD22 LEU 22 1HD2 LEU 22 2.849 -7.159 -9.093 160 HD23 LEU 22 2HD2 LEU 22 3.228 -5.437 -9.089 161 H VAL 23 H VAL 23 -1.589 -10.150 -8.681 162 HA VAL 23 HA VAL 23 -4.013 -8.736 -7.823 163 HB VAL 23 HB VAL 23 -4.286 -10.227 -9.740 164 HG11 VAL 23 1HG1 VAL 23 -4.073 -12.753 -8.371 165 HG12 VAL 23 2HG1 VAL 23 -3.327 -12.228 -9.881 166 HG13 VAL 23 3HG1 VAL 23 -2.535 -11.892 -8.341 167 HG21 VAL 23 3HG2 VAL 23 -5.619 -11.398 -7.302 168 HG22 VAL 23 1HG2 VAL 23 -6.123 -9.905 -8.094 169 HG23 VAL 23 2HG2 VAL 23 -6.210 -11.438 -8.962 170 H CYS 24 H CYS 24 -5.131 -9.312 -5.962 171 HA CYS 24 HA CYS 24 -3.642 -11.015 -4.071 172 HB2 CYS 24 1HB CYS 24 -3.405 -9.016 -2.997 173 HB3 CYS 24 2HB CYS 24 -4.828 -8.315 -3.760 174 H SER 25 H SER 25 -6.732 -10.102 -5.397 175 HA SER 25 HA SER 25 -8.327 -11.605 -3.571 176 HB2 SER 25 1HB SER 25 -9.101 -9.671 -5.047 177 HB3 SER 25 2HB SER 25 -9.121 -10.827 -6.378 178 HG SER 25 HG SER 25 -10.856 -11.735 -5.575 179 H ARG 26 H ARG 26 -7.424 -12.166 -6.976 180 HA ARG 26 HA ARG 26 -8.534 -14.615 -7.406 181 HB2 ARG 26 1HB ARG 26 -5.938 -13.430 -8.340 182 HB3 ARG 26 2HB ARG 26 -6.398 -15.058 -8.820 183 HG2 ARG 26 1HG ARG 26 -8.542 -14.084 -9.693 184 HG3 ARG 26 2HG ARG 26 -7.840 -12.489 -9.412 185 HD2 ARG 26 1HD ARG 26 -6.183 -12.805 -11.025 186 HD3 ARG 26 2HD ARG 26 -6.390 -14.556 -11.026 187 HE ARG 26 HE ARG 26 -8.700 -13.086 -11.924 188 HH11 ARG 26 1HH1 ARG 26 -5.695 -14.582 -12.848 189 HH12 ARG 26 2HH1 ARG 26 -6.160 -14.795 -14.503 190 HH21 ARG 26 1HH2 ARG 26 -9.324 -13.362 -14.100 191 HH22 ARG 26 2HH2 ARG 26 -8.224 -14.100 -15.215 192 H LYS 27 H LYS 27 -5.236 -14.116 -6.137 193 HA LYS 27 HA LYS 27 -5.197 -16.888 -5.214 194 HB2 LYS 27 1HB LYS 27 -2.959 -14.869 -5.061 195 HB3 LYS 27 2HB LYS 27 -2.836 -16.617 -4.920 196 HG2 LYS 27 1HG LYS 27 -3.721 -15.196 -7.419 197 HG3 LYS 27 2HG LYS 27 -2.058 -15.690 -7.095 198 HD2 LYS 27 1HD LYS 27 -2.948 -18.035 -6.785 199 HD3 LYS 27 2HD LYS 27 -4.482 -17.446 -7.430 200 HE2 LYS 27 1HE LYS 27 -3.304 -18.403 -9.250 201 HE3 LYS 27 2HE LYS 27 -3.198 -16.655 -9.448 202 HZ1 LYS 27 3HZ LYS 27 -0.981 -16.826 -8.309 203 HZ2 LYS 27 1HZ LYS 27 -1.058 -17.505 -9.856 204 HZ3 LYS 27 2HZ LYS 27 -1.091 -18.504 -8.492 205 H THR 28 H THR 28 -3.504 -16.741 -3.068 206 HA THR 28 HA THR 28 -5.182 -16.310 -0.918 207 HB THR 28 HB THR 28 -2.320 -15.834 -0.361 208 HG1 THR 28 HG1 THR 28 -3.132 -18.389 -1.301 209 HG21 THR 28 3HG2 THR 28 -3.016 -18.039 1.011 210 HG22 THR 28 1HG2 THR 28 -4.612 -17.334 0.755 211 HG23 THR 28 2HG2 THR 28 -3.357 -16.404 1.575 212 H ARG 29 H ARG 29 -4.542 -14.761 0.968 213 HA ARG 29 HA ARG 29 -5.304 -12.197 0.329 214 HB2 ARG 29 1HB ARG 29 -4.403 -11.534 2.541 215 HB3 ARG 29 2HB ARG 29 -5.367 -13.002 2.607 216 HG2 ARG 29 1HG ARG 29 -2.858 -13.998 2.225 217 HG3 ARG 29 2HG ARG 29 -2.545 -12.576 3.221 218 HD2 ARG 29 1HD ARG 29 -4.645 -13.587 4.543 219 HD3 ARG 29 2HD ARG 29 -3.986 -15.077 3.868 220 HE ARG 29 HE ARG 29 -1.828 -13.817 4.957 221 HH11 ARG 29 1HH1 ARG 29 -4.942 -14.821 6.146 222 HH12 ARG 29 2HH1 ARG 29 -4.384 -15.089 7.764 223 HH21 ARG 29 1HH2 ARG 29 -1.080 -14.167 7.084 224 HH22 ARG 29 2HH2 ARG 29 -2.187 -14.716 8.297 225 H ALA 30 H ALA 30 -2.201 -13.652 -0.010 226 HA ALA 30 HA ALA 30 -0.643 -11.268 -0.030 227 HB1 ALA 30 1HB ALA 30 0.861 -12.979 -1.464 228 HB2 ALA 30 2HB ALA 30 0.777 -12.989 0.298 229 HB3 ALA 30 3HB ALA 30 -0.203 -14.118 -0.637 230 H CYS 31 H CYS 31 -0.038 -9.960 -1.690 231 HA CYS 31 HA CYS 31 -1.501 -10.304 -4.208 232 HB2 CYS 31 1HB CYS 31 -1.348 -8.123 -2.628 233 HB3 CYS 31 2HB CYS 31 0.017 -7.810 -3.695 234 H LYS 32 H LYS 32 -0.455 -11.115 -5.887 235 HA LYS 32 HA LYS 32 2.310 -10.336 -6.388 236 HB2 LYS 32 1HB LYS 32 3.175 -12.514 -6.546 237 HB3 LYS 32 2HB LYS 32 2.225 -12.529 -5.066 238 HG2 LYS 32 1HG LYS 32 0.415 -13.306 -6.996 239 HG3 LYS 32 2HG LYS 32 1.918 -14.088 -7.491 240 HD2 LYS 32 1HD LYS 32 1.268 -14.230 -4.615 241 HD3 LYS 32 2HD LYS 32 0.207 -15.138 -5.695 242 HE2 LYS 32 1HE LYS 32 3.214 -15.358 -5.580 243 HE3 LYS 32 2HE LYS 32 2.072 -16.506 -4.883 244 HZ1 LYS 32 3HZ LYS 32 1.170 -16.670 -7.256 245 HZ2 LYS 32 1HZ LYS 32 2.636 -17.441 -6.912 246 HZ3 LYS 32 2HZ LYS 32 2.631 -15.960 -7.728 247 H TYR 33 H TYR 33 2.949 -10.537 -8.564 248 HA TYR 33 HA TYR 33 0.945 -10.066 -10.463 249 HB2 TYR 33 1HB TYR 33 2.691 -10.058 -12.101 250 HB3 TYR 33 2HB TYR 33 3.355 -9.360 -10.627 251 HD1 TYR 33 HD2 TYR 33 5.014 -10.581 -9.310 252 HD2 TYR 33 HD1 TYR 33 3.480 -12.182 -12.941 253 HE1 TYR 33 HE2 TYR 33 6.861 -12.204 -9.368 254 HE2 TYR 33 HE1 TYR 33 5.322 -13.810 -13.008 255 HH TYR 33 HH TYR 33 7.683 -13.958 -12.073 256 H GLN 34 H GLN 34 -0.181 -11.343 -11.815 257 HA GLN 34 HA GLN 34 -0.549 -14.045 -11.304 258 HB2 GLN 34 1HB GLN 34 -1.094 -12.513 -13.852 259 HB3 GLN 34 2HB GLN 34 -1.722 -14.116 -13.493 260 HG2 GLN 34 1HG GLN 34 -3.067 -13.299 -11.732 261 HG3 GLN 34 2HG GLN 34 -2.259 -11.732 -11.750 262 HE21 GLN 34 2HE2 GLN 34 -3.597 -13.744 -14.341 263 HE22 GLN 34 1HE2 GLN 34 -4.681 -12.544 -14.950 264 H ILE 35 H ILE 35 0.721 -15.734 -11.638 265 HA ILE 35 HA ILE 35 3.059 -15.552 -13.289 266 HB ILE 35 HB ILE 35 3.458 -17.895 -12.634 267 HG12 ILE 35 1HG1 ILE 35 0.904 -17.662 -11.034 268 HG13 ILE 35 2HG1 ILE 35 1.017 -18.513 -12.571 269 HG21 ILE 35 1HG2 ILE 35 2.645 -16.462 -10.142 270 HG22 ILE 35 2HG2 ILE 35 4.099 -17.404 -10.471 271 HG23 ILE 35 3HG2 ILE 35 3.914 -15.795 -11.170 272 HD11 ILE 35 3HD1 ILE 35 3.068 -19.417 -10.781 273 HD12 ILE 35 1HD1 ILE 35 1.482 -19.534 -10.019 274 HD13 ILE 35 2HD1 ILE 35 1.778 -20.328 -11.566 Start of MODEL 8 1 H1 GLU 1 H GLU 1 2.725 2.037 -1.962 2 HA GLU 1 HA GLU 1 3.351 0.059 -0.993 3 HB2 GLU 1 1HB GLU 1 0.490 0.343 -0.070 4 HB3 GLU 1 2HB GLU 1 1.609 -0.841 0.591 5 HG2 GLU 1 1HG GLU 1 1.646 0.952 2.090 6 HG3 GLU 1 2HG GLU 1 3.127 1.106 1.146 7 H CYS 2 H CYS 2 3.081 -0.551 -3.511 8 HA CYS 2 HA CYS 2 1.086 -2.550 -4.029 9 HB2 CYS 2 1HB CYS 2 3.573 -2.203 -5.673 10 HB3 CYS 2 2HB CYS 2 1.956 -2.661 -6.196 11 H LEU 3 H LEU 3 1.211 -4.690 -3.740 12 HA LEU 3 HA LEU 3 3.767 -5.789 -2.780 13 HB2 LEU 3 1HB LEU 3 1.334 -7.371 -2.356 14 HB3 LEU 3 2HB LEU 3 2.666 -7.020 -1.257 15 HG LEU 3 HG LEU 3 0.701 -4.860 -1.859 16 HD11 LEU 3 1HD1 LEU 3 -1.044 -5.876 -0.947 17 HD12 LEU 3 2HD1 LEU 3 -0.096 -6.313 0.474 18 HD13 LEU 3 3HD1 LEU 3 -0.123 -7.380 -0.929 19 HD21 LEU 3 3HD2 LEU 3 1.605 -5.374 0.873 20 HD22 LEU 3 1HD2 LEU 3 1.607 -3.880 -0.063 21 HD23 LEU 3 2HD2 LEU 3 2.913 -5.048 -0.265 22 H GLU 4 H GLU 4 4.610 -6.288 -4.818 23 HA GLU 4 HA GLU 4 3.098 -8.108 -6.524 24 HB2 GLU 4 1HB GLU 4 4.722 -7.687 -8.207 25 HB3 GLU 4 2HB GLU 4 4.375 -6.138 -7.451 26 HG2 GLU 4 1HG GLU 4 6.448 -6.818 -5.956 27 HG3 GLU 4 2HG GLU 4 6.843 -7.775 -7.382 28 H ILE 5 H ILE 5 5.533 -8.175 -4.130 29 HA ILE 5 HA ILE 5 6.818 -10.594 -4.979 30 HB ILE 5 HB ILE 5 8.035 -9.016 -3.591 31 HG12 ILE 5 1HG1 ILE 5 8.952 -10.569 -1.971 32 HG13 ILE 5 2HG1 ILE 5 7.488 -11.544 -2.022 33 HG21 ILE 5 1HG2 ILE 5 5.621 -8.949 -2.109 34 HG22 ILE 5 2HG2 ILE 5 6.903 -9.493 -1.029 35 HG23 ILE 5 3HG2 ILE 5 7.069 -7.965 -1.893 36 HD11 ILE 5 3HD1 ILE 5 9.294 -12.575 -3.276 37 HD12 ILE 5 1HD1 ILE 5 7.954 -12.135 -4.335 38 HD13 ILE 5 2HD1 ILE 5 9.412 -11.143 -4.299 39 H PHE 6 H PHE 6 3.915 -9.852 -3.356 40 HA PHE 6 HA PHE 6 2.263 -11.561 -3.083 41 HB2 PHE 6 1HB PHE 6 2.798 -13.773 -2.802 42 HB3 PHE 6 2HB PHE 6 4.273 -13.227 -3.593 43 HD1 PHE 6 HD2 PHE 6 5.451 -11.755 -1.219 44 HD2 PHE 6 HD1 PHE 6 3.666 -15.601 -1.598 45 HE1 PHE 6 HE2 PHE 6 6.773 -12.554 0.697 46 HE2 PHE 6 HE1 PHE 6 4.984 -16.405 0.318 47 HZ PHE 6 HZ PHE 6 6.541 -14.882 1.467 48 H LYS 7 H LYS 7 3.394 -9.416 -1.455 49 HA LYS 7 HA LYS 7 3.502 -10.308 1.262 50 HB2 LYS 7 1HB LYS 7 4.332 -8.059 -0.007 51 HB3 LYS 7 2HB LYS 7 2.844 -7.477 0.728 52 HG2 LYS 7 1HG LYS 7 4.369 -6.997 2.366 53 HG3 LYS 7 2HG LYS 7 3.811 -8.590 2.882 54 HD2 LYS 7 1HD LYS 7 5.750 -9.636 1.900 55 HD3 LYS 7 2HD LYS 7 6.276 -8.099 1.212 56 HE2 LYS 7 1HE LYS 7 7.594 -8.225 3.094 57 HE3 LYS 7 2HE LYS 7 6.220 -7.300 3.698 58 HZ1 LYS 7 3HZ LYS 7 6.251 -8.845 5.308 59 HZ2 LYS 7 1HZ LYS 7 7.086 -9.982 4.373 60 HZ3 LYS 7 2HZ LYS 7 5.415 -9.795 4.185 61 H ALA 8 H ALA 8 1.954 -10.155 2.859 62 HA ALA 8 HA ALA 8 -0.665 -10.719 2.293 63 HB1 ALA 8 1HB ALA 8 -0.580 -11.056 4.485 64 HB2 ALA 8 2HB ALA 8 0.846 -10.028 4.638 65 HB3 ALA 8 3HB ALA 8 -0.765 -9.316 4.710 66 H CYS 9 H CYS 9 -2.116 -9.595 1.186 67 HA CYS 9 HA CYS 9 -1.971 -6.694 1.082 68 HB2 CYS 9 1HB CYS 9 -2.889 -6.923 -0.948 69 HB3 CYS 9 2HB CYS 9 -2.729 -8.663 -0.739 70 H ASN 10 H ASN 10 -3.606 -5.295 1.727 71 HA ASN 10 HA ASN 10 -5.257 -6.296 3.896 72 HB2 ASN 10 1HB ASN 10 -4.277 -3.646 3.005 73 HB3 ASN 10 2HB ASN 10 -5.848 -3.663 3.801 74 HD21 ASN 10 2HD2 ASN 10 -3.113 -2.688 4.579 75 HD22 ASN 10 1HD2 ASN 10 -2.841 -3.379 6.139 76 HA PRO 11 HA PRO 11 -9.033 -6.507 1.661 77 HB2 PRO 11 1HB PRO 11 -10.803 -5.926 3.636 78 HB3 PRO 11 2HB PRO 11 -9.939 -7.465 3.542 79 HG2 PRO 11 1HG PRO 11 -9.342 -5.056 5.216 80 HG3 PRO 11 2HG PRO 11 -9.301 -6.770 5.668 81 HD2 PRO 11 1HD PRO 11 -7.064 -5.367 5.070 82 HD3 PRO 11 2HD PRO 11 -7.226 -7.100 4.719 83 H SER 12 H SER 12 -8.762 -3.685 3.819 84 HA SER 12 HA SER 12 -10.368 -2.125 1.922 85 HB2 SER 12 1HB SER 12 -9.511 -1.377 4.727 86 HB3 SER 12 2HB SER 12 -10.675 -0.520 3.716 87 HG SER 12 HG SER 12 -10.988 -3.212 4.550 88 H ASN 13 H ASN 13 -7.353 -1.919 3.797 89 HA ASN 13 HA ASN 13 -6.425 0.463 2.608 90 HB2 ASN 13 1HB ASN 13 -5.259 -1.685 4.290 91 HB3 ASN 13 2HB ASN 13 -4.120 -0.715 3.360 92 HD21 ASN 13 2HD2 ASN 13 -3.981 -0.642 6.042 93 HD22 ASN 13 1HD2 ASN 13 -4.546 0.877 6.641 94 H ASP 14 H ASP 14 -6.586 0.386 0.385 95 HA ASP 14 HA ASP 14 -5.821 -1.676 -1.302 96 HB2 ASP 14 1HB ASP 14 -7.056 0.472 -1.896 97 HB3 ASP 14 2HB ASP 14 -5.475 1.244 -1.980 98 H GLN 15 H GLN 15 -3.922 -2.679 -1.328 99 HA GLN 15 HA GLN 15 -1.476 -1.110 -0.913 100 HB2 GLN 15 1HB GLN 15 -1.921 -4.097 -0.766 101 HB3 GLN 15 2HB GLN 15 -0.389 -3.284 -0.472 102 HG2 GLN 15 1HG GLN 15 -1.899 -1.962 1.281 103 HG3 GLN 15 2HG GLN 15 -2.795 -3.480 1.230 104 HE21 GLN 15 2HE2 GLN 15 -0.071 -1.854 2.426 105 HE22 GLN 15 1HE2 GLN 15 0.679 -3.193 3.220 106 H CYS 16 H CYS 16 -2.346 -4.020 -2.787 107 HA CYS 16 HA CYS 16 -0.379 -4.055 -4.635 108 HB2 CYS 16 1HB CYS 16 -3.201 -4.412 -5.592 109 HB3 CYS 16 2HB CYS 16 -1.763 -5.339 -6.008 110 H CYS 17 H CYS 17 -0.011 -3.190 -6.707 111 HA CYS 17 HA CYS 17 -0.598 -0.422 -6.954 112 HB2 CYS 17 1HB CYS 17 1.038 -2.403 -8.343 113 HB3 CYS 17 2HB CYS 17 0.322 -1.225 -9.439 114 H LYS 18 H LYS 18 -1.163 0.160 -9.495 115 HA LYS 18 HA LYS 18 -3.923 -0.773 -9.769 116 HB2 LYS 18 1HB LYS 18 -2.434 1.663 -10.672 117 HB3 LYS 18 2HB LYS 18 -3.904 1.188 -11.512 118 HG2 LYS 18 1HG LYS 18 -4.468 2.807 -9.854 119 HG3 LYS 18 2HG LYS 18 -5.100 1.242 -9.338 120 HD2 LYS 18 1HD LYS 18 -3.273 0.958 -7.794 121 HD3 LYS 18 2HD LYS 18 -2.490 2.422 -8.391 122 HE2 LYS 18 1HE LYS 18 -4.521 3.694 -7.647 123 HE3 LYS 18 2HE LYS 18 -5.085 2.213 -6.874 124 HZ1 LYS 18 3HZ LYS 18 -2.583 3.684 -6.247 125 HZ2 LYS 18 1HZ LYS 18 -3.026 2.204 -5.558 126 HZ3 LYS 18 2HZ LYS 18 -3.963 3.583 -5.274 127 H SER 19 H SER 19 -1.659 0.383 -12.243 128 HA SER 19 HA SER 19 -2.639 -1.279 -14.264 129 HB2 SER 19 1HB SER 19 -0.610 -0.662 -15.515 130 HB3 SER 19 2HB SER 19 -1.318 0.743 -14.718 131 HG SER 19 HG SER 19 1.049 -0.635 -14.141 132 H SER 20 H SER 20 -0.434 -1.919 -11.698 133 HA SER 20 HA SER 20 1.041 -4.039 -12.786 134 HB2 SER 20 1HB SER 20 0.183 -3.725 -9.901 135 HB3 SER 20 2HB SER 20 1.561 -4.650 -10.498 136 HG SER 20 HG SER 20 2.628 -2.813 -10.937 137 H LYS 21 H LYS 21 0.802 -6.297 -12.588 138 HA LYS 21 HA LYS 21 -1.953 -7.178 -12.774 139 HB2 LYS 21 1HB LYS 21 0.656 -8.661 -13.144 140 HB3 LYS 21 2HB LYS 21 -0.935 -9.364 -13.406 141 HG2 LYS 21 1HG LYS 21 -0.128 -6.885 -14.866 142 HG3 LYS 21 2HG LYS 21 0.413 -8.471 -15.422 143 HD2 LYS 21 1HD LYS 21 -1.812 -9.212 -15.760 144 HD3 LYS 21 2HD LYS 21 -2.479 -7.833 -14.884 145 HE2 LYS 21 1HE LYS 21 -2.832 -7.223 -17.083 146 HE3 LYS 21 2HE LYS 21 -1.299 -6.429 -16.724 147 HZ1 LYS 21 3HZ LYS 21 -1.107 -9.128 -17.774 148 HZ2 LYS 21 1HZ LYS 21 -0.181 -7.758 -18.130 149 HZ3 LYS 21 2HZ LYS 21 -1.695 -7.968 -18.855 150 H LEU 22 H LEU 22 0.549 -7.117 -10.438 151 HA LEU 22 HA LEU 22 0.296 -9.289 -8.869 152 HB2 LEU 22 1HB LEU 22 0.097 -7.135 -7.065 153 HB3 LEU 22 2HB LEU 22 1.540 -8.021 -7.553 154 HG LEU 22 HG LEU 22 0.559 -5.746 -9.227 155 HD11 LEU 22 1HD1 LEU 22 2.342 -5.425 -6.820 156 HD12 LEU 22 2HD1 LEU 22 0.641 -4.961 -6.869 157 HD13 LEU 22 3HD1 LEU 22 1.803 -4.164 -7.929 158 HD21 LEU 22 3HD2 LEU 22 2.355 -6.442 -10.355 159 HD22 LEU 22 1HD2 LEU 22 2.923 -7.432 -9.010 160 HD23 LEU 22 2HD2 LEU 22 3.305 -5.711 -9.060 161 H VAL 23 H VAL 23 -1.534 -10.395 -8.531 162 HA VAL 23 HA VAL 23 -3.952 -8.942 -7.725 163 HB VAL 23 HB VAL 23 -4.224 -10.485 -9.602 164 HG11 VAL 23 1HG1 VAL 23 -4.106 -12.973 -9.048 165 HG12 VAL 23 2HG1 VAL 23 -2.575 -12.125 -9.279 166 HG13 VAL 23 3HG1 VAL 23 -3.142 -12.496 -7.650 167 HG21 VAL 23 3HG2 VAL 23 -5.592 -11.670 -7.199 168 HG22 VAL 23 1HG2 VAL 23 -6.030 -10.099 -7.871 169 HG23 VAL 23 2HG2 VAL 23 -6.195 -11.555 -8.853 170 H CYS 24 H CYS 24 -5.084 -9.460 -5.854 171 HA CYS 24 HA CYS 24 -3.615 -11.119 -3.910 172 HB2 CYS 24 1HB CYS 24 -3.377 -9.117 -2.857 173 HB3 CYS 24 2HB CYS 24 -4.748 -8.396 -3.693 174 H SER 25 H SER 25 -6.697 -10.214 -5.264 175 HA SER 25 HA SER 25 -8.297 -11.683 -3.410 176 HB2 SER 25 1HB SER 25 -9.073 -9.754 -4.880 177 HB3 SER 25 2HB SER 25 -9.092 -10.904 -6.217 178 HG SER 25 HG SER 25 -11.070 -11.177 -5.485 179 H ARG 26 H ARG 26 -7.495 -12.268 -6.838 180 HA ARG 26 HA ARG 26 -8.604 -14.730 -7.195 181 HB2 ARG 26 1HB ARG 26 -6.012 -13.609 -8.244 182 HB3 ARG 26 2HB ARG 26 -6.622 -15.177 -8.753 183 HG2 ARG 26 1HG ARG 26 -8.660 -14.115 -9.585 184 HG3 ARG 26 2HG ARG 26 -8.041 -12.542 -9.079 185 HD2 ARG 26 1HD ARG 26 -6.019 -13.082 -10.560 186 HD3 ARG 26 2HD ARG 26 -7.030 -14.351 -11.249 187 HE ARG 26 HE ARG 26 -8.298 -11.779 -11.231 188 HH11 ARG 26 1HH1 ARG 26 -6.114 -13.863 -12.964 189 HH12 ARG 26 2HH1 ARG 26 -6.400 -13.107 -14.496 190 HH21 ARG 26 1HH2 ARG 26 -8.684 -10.775 -13.243 191 HH22 ARG 26 2HH2 ARG 26 -7.861 -11.350 -14.653 192 H LYS 27 H LYS 27 -5.285 -14.155 -6.023 193 HA LYS 27 HA LYS 27 -5.132 -16.934 -5.137 194 HB2 LYS 27 1HB LYS 27 -2.940 -14.885 -4.906 195 HB3 LYS 27 2HB LYS 27 -2.795 -16.637 -4.962 196 HG2 LYS 27 1HG LYS 27 -3.678 -16.506 -7.325 197 HG3 LYS 27 2HG LYS 27 -3.451 -14.759 -7.213 198 HD2 LYS 27 1HD LYS 27 -1.517 -15.736 -8.263 199 HD3 LYS 27 2HD LYS 27 -1.065 -15.154 -6.658 200 HE2 LYS 27 1HE LYS 27 -0.838 -17.280 -5.805 201 HE3 LYS 27 2HE LYS 27 -1.946 -17.985 -6.981 202 HZ1 LYS 27 3HZ LYS 27 -0.234 -18.521 -8.253 203 HZ2 LYS 27 1HZ LYS 27 0.831 -17.920 -7.084 204 HZ3 LYS 27 2HZ LYS 27 0.281 -16.911 -8.326 205 H THR 28 H THR 28 -3.432 -16.784 -3.014 206 HA THR 28 HA THR 28 -5.079 -16.441 -0.833 207 HB THR 28 HB THR 28 -2.218 -15.861 -0.337 208 HG1 THR 28 HG1 THR 28 -2.933 -18.468 -1.180 209 HG21 THR 28 3HG2 THR 28 -2.785 -18.057 1.079 210 HG22 THR 28 1HG2 THR 28 -4.425 -17.458 0.834 211 HG23 THR 28 2HG2 THR 28 -3.223 -16.438 1.623 212 H ARG 29 H ARG 29 -4.556 -14.895 1.054 213 HA ARG 29 HA ARG 29 -5.388 -12.348 0.442 214 HB2 ARG 29 1HB ARG 29 -3.596 -13.041 2.773 215 HB3 ARG 29 2HB ARG 29 -4.737 -11.706 2.673 216 HG2 ARG 29 1HG ARG 29 -5.387 -14.641 2.793 217 HG3 ARG 29 2HG ARG 29 -5.673 -13.429 4.043 218 HD2 ARG 29 1HD ARG 29 -7.104 -12.238 2.276 219 HD3 ARG 29 2HD ARG 29 -7.047 -13.765 1.396 220 HE ARG 29 HE ARG 29 -7.874 -14.077 4.120 221 HH11 ARG 29 1HH1 ARG 29 -8.942 -13.270 0.906 222 HH12 ARG 29 2HH1 ARG 29 -10.585 -13.735 1.194 223 HH21 ARG 29 1HH2 ARG 29 -10.035 -14.693 4.512 224 HH22 ARG 29 2HH2 ARG 29 -11.207 -14.544 3.246 225 H ALA 30 H ALA 30 -2.228 -13.690 0.148 226 HA ALA 30 HA ALA 30 -0.780 -11.227 0.164 227 HB1 ALA 30 1HB ALA 30 0.834 -12.928 -1.201 228 HB2 ALA 30 2HB ALA 30 0.743 -12.829 0.558 229 HB3 ALA 30 3HB ALA 30 -0.178 -14.061 -0.305 230 H CYS 31 H CYS 31 -0.066 -9.987 -1.536 231 HA CYS 31 HA CYS 31 -1.489 -10.393 -4.067 232 HB2 CYS 31 1HB CYS 31 -1.304 -8.160 -2.538 233 HB3 CYS 31 2HB CYS 31 0.042 -7.899 -3.643 234 H LYS 32 H LYS 32 -0.421 -11.273 -5.697 235 HA LYS 32 HA LYS 32 2.364 -10.540 -6.167 236 HB2 LYS 32 1HB LYS 32 3.186 -12.745 -6.277 237 HB3 LYS 32 2HB LYS 32 2.239 -12.690 -4.796 238 HG2 LYS 32 1HG LYS 32 0.361 -13.514 -6.554 239 HG3 LYS 32 2HG LYS 32 1.812 -14.228 -7.261 240 HD2 LYS 32 1HD LYS 32 1.569 -14.529 -4.346 241 HD3 LYS 32 2HD LYS 32 0.337 -15.371 -5.288 242 HE2 LYS 32 1HE LYS 32 2.271 -16.804 -4.863 243 HE3 LYS 32 2HE LYS 32 2.075 -16.483 -6.586 244 HZ1 LYS 32 3HZ LYS 32 3.797 -14.778 -6.408 245 HZ2 LYS 32 1HZ LYS 32 4.381 -16.297 -5.944 246 HZ3 LYS 32 2HZ LYS 32 4.004 -15.141 -4.769 247 H TYR 33 H TYR 33 3.042 -10.805 -8.325 248 HA TYR 33 HA TYR 33 1.161 -10.271 -10.288 249 HB2 TYR 33 1HB TYR 33 2.919 -10.520 -11.881 250 HB3 TYR 33 2HB TYR 33 3.654 -9.884 -10.414 251 HD1 TYR 33 HD2 TYR 33 4.941 -11.441 -8.921 252 HD2 TYR 33 HD1 TYR 33 3.604 -12.594 -12.792 253 HE1 TYR 33 HE2 TYR 33 6.554 -13.298 -8.918 254 HE2 TYR 33 HE1 TYR 33 5.212 -14.455 -12.800 255 HH TYR 33 HH TYR 33 7.362 -15.035 -11.691 256 H GLN 34 H GLN 34 -0.041 -11.463 -11.669 257 HA GLN 34 HA GLN 34 -0.304 -14.291 -11.096 258 HB2 GLN 34 1HB GLN 34 -2.281 -12.784 -11.386 259 HB3 GLN 34 2HB GLN 34 -1.845 -12.614 -13.081 260 HG2 GLN 34 1HG GLN 34 -3.589 -14.236 -12.883 261 HG3 GLN 34 2HG GLN 34 -2.100 -15.053 -13.354 262 HE21 GLN 34 2HE2 GLN 34 -2.413 -17.034 -12.537 263 HE22 GLN 34 1HE2 GLN 34 -2.682 -17.381 -10.867 264 H ILE 35 H ILE 35 0.178 -12.325 -14.032 265 HA ILE 35 HA ILE 35 1.229 -14.698 -15.392 266 HB ILE 35 HB ILE 35 0.499 -12.001 -16.539 267 HG12 ILE 35 1HG1 ILE 35 -1.473 -13.189 -15.746 268 HG13 ILE 35 2HG1 ILE 35 -1.436 -13.205 -17.505 269 HG21 ILE 35 1HG2 ILE 35 0.545 -13.460 -18.690 270 HG22 ILE 35 2HG2 ILE 35 2.054 -12.834 -18.028 271 HG23 ILE 35 3HG2 ILE 35 1.591 -14.511 -17.736 272 HD11 ILE 35 3HD1 ILE 35 -0.589 -15.473 -15.720 273 HD12 ILE 35 1HD1 ILE 35 -2.125 -15.353 -16.577 274 HD13 ILE 35 2HD1 ILE 35 -0.617 -15.487 -17.483 Start of MODEL 9 1 H1 GLU 1 H GLU 1 3.833 0.905 -2.108 2 HA GLU 1 HA GLU 1 2.030 -0.236 -0.100 3 HB2 GLU 1 1HB GLU 1 1.468 1.502 -2.508 4 HB3 GLU 1 2HB GLU 1 0.238 0.886 -1.414 5 HG2 GLU 1 1HG GLU 1 1.357 2.093 0.440 6 HG3 GLU 1 2HG GLU 1 2.461 2.796 -0.740 7 H CYS 2 H CYS 2 2.970 -0.528 -3.480 8 HA CYS 2 HA CYS 2 1.033 -2.550 -4.091 9 HB2 CYS 2 1HB CYS 2 3.550 -2.102 -5.669 10 HB3 CYS 2 2HB CYS 2 1.957 -2.588 -6.242 11 H LEU 3 H LEU 3 1.170 -4.685 -3.817 12 HA LEU 3 HA LEU 3 3.734 -5.788 -2.883 13 HB2 LEU 3 1HB LEU 3 1.263 -7.347 -2.496 14 HB3 LEU 3 2HB LEU 3 2.637 -7.112 -1.418 15 HG LEU 3 HG LEU 3 0.746 -4.847 -1.851 16 HD11 LEU 3 1HD1 LEU 3 -0.995 -5.779 -0.828 17 HD12 LEU 3 2HD1 LEU 3 0.025 -6.484 0.425 18 HD13 LEU 3 3HD1 LEU 3 -0.211 -7.336 -1.101 19 HD21 LEU 3 3HD2 LEU 3 1.712 -5.521 0.823 20 HD22 LEU 3 1HD2 LEU 3 1.753 -3.988 -0.048 21 HD23 LEU 3 2HD2 LEU 3 2.999 -5.201 -0.341 22 H GLU 4 H GLU 4 4.579 -6.243 -4.930 23 HA GLU 4 HA GLU 4 3.075 -8.036 -6.672 24 HB2 GLU 4 1HB GLU 4 4.704 -7.577 -8.344 25 HB3 GLU 4 2HB GLU 4 4.337 -6.045 -7.564 26 HG2 GLU 4 1HG GLU 4 6.460 -7.028 -6.101 27 HG3 GLU 4 2HG GLU 4 6.846 -7.478 -7.761 28 H ILE 5 H ILE 5 5.509 -8.140 -4.277 29 HA ILE 5 HA ILE 5 6.801 -10.538 -5.177 30 HB ILE 5 HB ILE 5 8.030 -8.992 -3.771 31 HG12 ILE 5 1HG1 ILE 5 8.933 -10.562 -2.160 32 HG13 ILE 5 2HG1 ILE 5 7.462 -11.527 -2.221 33 HG21 ILE 5 1HG2 ILE 5 5.621 -8.884 -2.308 34 HG22 ILE 5 2HG2 ILE 5 6.863 -9.497 -1.217 35 HG23 ILE 5 3HG2 ILE 5 7.099 -7.958 -2.044 36 HD11 ILE 5 3HD1 ILE 5 9.277 -12.552 -3.479 37 HD12 ILE 5 1HD1 ILE 5 7.929 -12.117 -4.528 38 HD13 ILE 5 2HD1 ILE 5 9.383 -11.118 -4.500 39 H PHE 6 H PHE 6 3.906 -9.830 -3.519 40 HA PHE 6 HA PHE 6 2.257 -11.541 -3.263 41 HB2 PHE 6 1HB PHE 6 2.791 -13.757 -3.062 42 HB3 PHE 6 2HB PHE 6 4.274 -13.194 -3.826 43 HD1 PHE 6 HD2 PHE 6 5.494 -11.820 -1.446 44 HD2 PHE 6 HD1 PHE 6 3.589 -15.603 -1.861 45 HE1 PHE 6 HE2 PHE 6 6.799 -12.681 0.454 46 HE2 PHE 6 HE1 PHE 6 4.890 -16.470 0.039 47 HZ PHE 6 HZ PHE 6 6.499 -15.009 1.198 48 H LYS 7 H LYS 7 3.393 -9.435 -1.600 49 HA LYS 7 HA LYS 7 3.522 -10.402 1.096 50 HB2 LYS 7 1HB LYS 7 4.492 -8.201 -0.025 51 HB3 LYS 7 2HB LYS 7 2.945 -7.539 0.487 52 HG2 LYS 7 1HG LYS 7 4.530 -9.060 2.481 53 HG3 LYS 7 2HG LYS 7 5.088 -7.449 2.026 54 HD2 LYS 7 1HD LYS 7 2.414 -7.036 2.403 55 HD3 LYS 7 2HD LYS 7 2.770 -8.262 3.623 56 HE2 LYS 7 1HE LYS 7 3.102 -6.168 4.671 57 HE3 LYS 7 2HE LYS 7 4.709 -6.811 4.336 58 HZ1 LYS 7 3HZ LYS 7 5.156 -4.973 3.216 59 HZ2 LYS 7 1HZ LYS 7 3.598 -4.377 3.497 60 HZ3 LYS 7 2HZ LYS 7 3.911 -5.312 2.123 61 H ALA 8 H ALA 8 1.969 -10.386 2.661 62 HA ALA 8 HA ALA 8 -0.656 -10.840 2.098 63 HB1 ALA 8 1HB ALA 8 0.146 -9.394 4.605 64 HB2 ALA 8 2HB ALA 8 -1.128 -10.594 4.384 65 HB3 ALA 8 3HB ALA 8 0.566 -11.083 4.319 66 H CYS 9 H CYS 9 -2.115 -9.651 1.073 67 HA CYS 9 HA CYS 9 -1.915 -6.746 1.092 68 HB2 CYS 9 1HB CYS 9 -2.801 -6.875 -0.960 69 HB3 CYS 9 2HB CYS 9 -2.702 -8.627 -0.821 70 H ASN 10 H ASN 10 -3.616 -5.366 1.701 71 HA ASN 10 HA ASN 10 -5.257 -6.437 3.852 72 HB2 ASN 10 1HB ASN 10 -4.367 -3.720 3.005 73 HB3 ASN 10 2HB ASN 10 -5.863 -3.846 3.926 74 HD21 ASN 10 2HD2 ASN 10 -3.181 -2.734 4.570 75 HD22 ASN 10 1HD2 ASN 10 -2.723 -3.503 6.048 76 HA PRO 11 HA PRO 11 -9.018 -6.594 1.588 77 HB2 PRO 11 1HB PRO 11 -10.803 -6.082 3.569 78 HB3 PRO 11 2HB PRO 11 -9.931 -7.614 3.433 79 HG2 PRO 11 1HG PRO 11 -9.355 -5.255 5.184 80 HG3 PRO 11 2HG PRO 11 -9.309 -6.982 5.583 81 HD2 PRO 11 1HD PRO 11 -7.074 -5.552 5.042 82 HD3 PRO 11 2HD PRO 11 -7.227 -7.274 4.637 83 H SER 12 H SER 12 -8.813 -3.848 3.853 84 HA SER 12 HA SER 12 -10.405 -2.236 1.992 85 HB2 SER 12 1HB SER 12 -10.945 -2.406 4.500 86 HB3 SER 12 2HB SER 12 -9.528 -1.386 4.749 87 HG SER 12 HG SER 12 -10.968 0.139 4.454 88 H ASN 13 H ASN 13 -7.367 -2.125 3.831 89 HA ASN 13 HA ASN 13 -6.458 0.314 2.721 90 HB2 ASN 13 1HB ASN 13 -5.323 -1.841 4.395 91 HB3 ASN 13 2HB ASN 13 -4.153 -0.925 3.448 92 HD21 ASN 13 2HD2 ASN 13 -3.614 -0.549 5.854 93 HD22 ASN 13 1HD2 ASN 13 -4.276 0.893 6.538 94 H ASP 14 H ASP 14 -6.672 0.233 0.486 95 HA ASP 14 HA ASP 14 -5.872 -1.772 -1.236 96 HB2 ASP 14 1HB ASP 14 -7.041 0.561 -1.650 97 HB3 ASP 14 2HB ASP 14 -5.398 1.071 -2.029 98 H GLN 15 H GLN 15 -3.970 -2.744 -1.396 99 HA GLN 15 HA GLN 15 -1.530 -1.174 -0.916 100 HB2 GLN 15 1HB GLN 15 -2.157 -4.100 -0.624 101 HB3 GLN 15 2HB GLN 15 -0.496 -3.533 -0.736 102 HG2 GLN 15 1HG GLN 15 -1.303 -1.912 1.189 103 HG3 GLN 15 2HG GLN 15 -2.476 -3.202 1.445 104 HE21 GLN 15 2HE2 GLN 15 -1.802 -5.163 2.226 105 HE22 GLN 15 1HE2 GLN 15 -0.209 -5.439 2.837 106 H CYS 16 H CYS 16 -2.432 -4.032 -2.855 107 HA CYS 16 HA CYS 16 -0.471 -4.053 -4.707 108 HB2 CYS 16 1HB CYS 16 -3.304 -4.331 -5.661 109 HB3 CYS 16 2HB CYS 16 -1.885 -5.267 -6.119 110 H CYS 17 H CYS 17 -0.090 -3.140 -6.757 111 HA CYS 17 HA CYS 17 -0.640 -0.355 -6.926 112 HB2 CYS 17 1HB CYS 17 1.013 -2.302 -8.324 113 HB3 CYS 17 2HB CYS 17 0.294 -1.133 -9.427 114 H LYS 18 H LYS 18 -1.179 0.312 -9.445 115 HA LYS 18 HA LYS 18 -3.945 -0.577 -9.770 116 HB2 LYS 18 1HB LYS 18 -2.465 1.897 -10.292 117 HB3 LYS 18 2HB LYS 18 -3.553 1.445 -11.598 118 HG2 LYS 18 1HG LYS 18 -4.602 2.953 -9.974 119 HG3 LYS 18 2HG LYS 18 -5.425 1.395 -10.074 120 HD2 LYS 18 1HD LYS 18 -3.365 1.280 -8.082 121 HD3 LYS 18 2HD LYS 18 -4.410 2.670 -7.780 122 HE2 LYS 18 1HE LYS 18 -5.819 0.193 -8.491 123 HE3 LYS 18 2HE LYS 18 -4.933 0.128 -6.968 124 HZ1 LYS 18 3HZ LYS 18 -7.049 0.906 -6.414 125 HZ2 LYS 18 1HZ LYS 18 -7.123 1.961 -7.734 126 HZ3 LYS 18 2HZ LYS 18 -6.094 2.302 -6.436 127 H SER 19 H SER 19 -1.661 0.585 -12.220 128 HA SER 19 HA SER 19 -2.648 -1.041 -14.265 129 HB2 SER 19 1HB SER 19 -1.367 0.898 -14.843 130 HB3 SER 19 2HB SER 19 0.029 0.323 -13.932 131 HG SER 19 HG SER 19 0.631 -0.692 -15.656 132 H SER 20 H SER 20 -0.495 -1.753 -11.685 133 HA SER 20 HA SER 20 0.978 -3.868 -12.798 134 HB2 SER 20 1HB SER 20 0.100 -3.559 -9.918 135 HB3 SER 20 2HB SER 20 1.448 -4.533 -10.504 136 HG SER 20 HG SER 20 2.635 -2.797 -10.643 137 H LYS 21 H LYS 21 0.712 -6.126 -12.636 138 HA LYS 21 HA LYS 21 -2.058 -6.971 -12.834 139 HB2 LYS 21 1HB LYS 21 0.570 -8.042 -13.658 140 HB3 LYS 21 2HB LYS 21 -0.628 -9.246 -13.200 141 HG2 LYS 21 1HG LYS 21 -1.196 -9.101 -15.368 142 HG3 LYS 21 2HG LYS 21 -2.122 -7.703 -14.815 143 HD2 LYS 21 1HD LYS 21 0.715 -7.245 -15.541 144 HD3 LYS 21 2HD LYS 21 -0.409 -7.583 -16.860 145 HE2 LYS 21 1HE LYS 21 -1.879 -5.783 -15.636 146 HE3 LYS 21 2HE LYS 21 -0.328 -5.279 -14.967 147 HZ1 LYS 21 3HZ LYS 21 0.408 -4.559 -16.971 148 HZ2 LYS 21 1HZ LYS 21 -1.248 -4.337 -17.238 149 HZ3 LYS 21 2HZ LYS 21 -0.469 -5.707 -17.852 150 H LEU 22 H LEU 22 0.475 -7.002 -10.529 151 HA LEU 22 HA LEU 22 0.221 -9.217 -9.022 152 HB2 LEU 22 1HB LEU 22 0.071 -7.140 -7.139 153 HB3 LEU 22 2HB LEU 22 1.508 -7.988 -7.707 154 HG LEU 22 HG LEU 22 0.473 -5.665 -9.271 155 HD11 LEU 22 1HD1 LEU 22 2.231 -5.406 -6.838 156 HD12 LEU 22 2HD1 LEU 22 0.533 -4.935 -6.909 157 HD13 LEU 22 3HD1 LEU 22 1.719 -4.112 -7.922 158 HD21 LEU 22 3HD2 LEU 22 2.277 -6.302 -10.425 159 HD22 LEU 22 1HD2 LEU 22 2.882 -7.300 -9.103 160 HD23 LEU 22 2HD2 LEU 22 3.212 -5.567 -9.122 161 H VAL 23 H VAL 23 -1.587 -10.327 -8.632 162 HA VAL 23 HA VAL 23 -4.005 -8.883 -7.806 163 HB VAL 23 HB VAL 23 -4.263 -10.446 -9.682 164 HG11 VAL 23 1HG1 VAL 23 -4.152 -12.912 -9.145 165 HG12 VAL 23 2HG1 VAL 23 -2.601 -12.080 -9.269 166 HG13 VAL 23 3HG1 VAL 23 -3.272 -12.465 -7.684 167 HG21 VAL 23 3HG2 VAL 23 -5.655 -11.508 -7.229 168 HG22 VAL 23 1HG2 VAL 23 -6.106 -10.013 -8.049 169 HG23 VAL 23 2HG2 VAL 23 -6.230 -11.556 -8.895 170 H CYS 24 H CYS 24 -5.102 -9.379 -5.916 171 HA CYS 24 HA CYS 24 -3.619 -11.043 -3.987 172 HB2 CYS 24 1HB CYS 24 -3.351 -9.057 -2.922 173 HB3 CYS 24 2HB CYS 24 -4.697 -8.305 -3.772 174 H SER 25 H SER 25 -6.706 -10.131 -5.316 175 HA SER 25 HA SER 25 -8.298 -11.568 -3.428 176 HB2 SER 25 1HB SER 25 -10.122 -11.232 -5.107 177 HB3 SER 25 2HB SER 25 -9.298 -9.740 -4.657 178 HG SER 25 HG SER 25 -9.663 -10.110 -6.974 179 H ARG 26 H ARG 26 -7.492 -12.194 -6.847 180 HA ARG 26 HA ARG 26 -8.638 -14.652 -7.173 181 HB2 ARG 26 1HB ARG 26 -6.065 -13.534 -8.265 182 HB3 ARG 26 2HB ARG 26 -6.654 -15.123 -8.737 183 HG2 ARG 26 1HG ARG 26 -8.753 -14.065 -9.515 184 HG3 ARG 26 2HG ARG 26 -8.051 -12.488 -9.144 185 HD2 ARG 26 1HD ARG 26 -6.128 -13.177 -10.673 186 HD3 ARG 26 2HD ARG 26 -7.180 -14.486 -11.212 187 HE ARG 26 HE ARG 26 -8.377 -11.869 -11.351 188 HH11 ARG 26 1HH1 ARG 26 -6.457 -14.254 -13.008 189 HH12 ARG 26 2HH1 ARG 26 -6.841 -13.656 -14.588 190 HH21 ARG 26 1HH2 ARG 26 -8.891 -11.072 -13.425 191 HH22 ARG 26 2HH2 ARG 26 -8.225 -11.845 -14.824 192 H LYS 27 H LYS 27 -5.288 -14.101 -6.080 193 HA LYS 27 HA LYS 27 -5.134 -16.867 -5.168 194 HB2 LYS 27 1HB LYS 27 -3.285 -15.163 -6.313 195 HB3 LYS 27 2HB LYS 27 -2.827 -15.158 -4.615 196 HG2 LYS 27 1HG LYS 27 -1.605 -16.937 -5.270 197 HG3 LYS 27 2HG LYS 27 -3.120 -17.787 -4.956 198 HD2 LYS 27 1HD LYS 27 -2.508 -16.647 -7.663 199 HD3 LYS 27 2HD LYS 27 -1.902 -18.233 -7.181 200 HE2 LYS 27 1HE LYS 27 -4.796 -17.378 -7.215 201 HE3 LYS 27 2HE LYS 27 -4.011 -18.407 -8.412 202 HZ1 LYS 27 3HZ LYS 27 -3.476 -19.588 -5.995 203 HZ2 LYS 27 1HZ LYS 27 -4.604 -20.109 -7.143 204 HZ3 LYS 27 2HZ LYS 27 -5.092 -19.104 -5.874 205 H THR 28 H THR 28 -3.394 -16.667 -3.056 206 HA THR 28 HA THR 28 -5.034 -16.364 -0.862 207 HB THR 28 HB THR 28 -2.196 -15.703 -0.369 208 HG1 THR 28 HG1 THR 28 -2.830 -18.312 -1.280 209 HG21 THR 28 3HG2 THR 28 -3.269 -16.325 1.565 210 HG22 THR 28 1HG2 THR 28 -2.624 -17.884 1.053 211 HG23 THR 28 2HG2 THR 28 -4.313 -17.483 0.743 212 H ARG 29 H ARG 29 -4.542 -14.801 1.016 213 HA ARG 29 HA ARG 29 -5.437 -12.274 0.392 214 HB2 ARG 29 1HB ARG 29 -3.650 -12.938 2.736 215 HB3 ARG 29 2HB ARG 29 -4.798 -11.610 2.626 216 HG2 ARG 29 1HG ARG 29 -5.447 -14.548 2.716 217 HG3 ARG 29 2HG ARG 29 -5.709 -13.363 3.997 218 HD2 ARG 29 1HD ARG 29 -7.104 -12.134 2.151 219 HD3 ARG 29 2HD ARG 29 -7.171 -13.738 1.423 220 HE ARG 29 HE ARG 29 -8.556 -12.844 3.772 221 HH11 ARG 29 1HH1 ARG 29 -7.263 -15.611 2.102 222 HH12 ARG 29 2HH1 ARG 29 -8.334 -16.737 2.866 223 HH21 ARG 29 1HH2 ARG 29 -9.973 -14.317 4.785 224 HH22 ARG 29 2HH2 ARG 29 -9.876 -16.000 4.392 225 H ALA 30 H ALA 30 -2.256 -13.549 0.090 226 HA ALA 30 HA ALA 30 -0.873 -11.040 0.104 227 HB1 ALA 30 1HB ALA 30 0.747 -12.814 -1.254 228 HB2 ALA 30 2HB ALA 30 0.760 -12.509 0.484 229 HB3 ALA 30 3HB ALA 30 -0.183 -13.848 -0.169 230 H CYS 31 H CYS 31 -0.113 -9.850 -1.628 231 HA CYS 31 HA CYS 31 -1.524 -10.317 -4.156 232 HB2 CYS 31 1HB CYS 31 -1.329 -8.045 -2.676 233 HB3 CYS 31 2HB CYS 31 0.003 -7.815 -3.805 234 H LYS 32 H LYS 32 -0.454 -11.193 -5.787 235 HA LYS 32 HA LYS 32 2.356 -10.516 -6.208 236 HB2 LYS 32 1HB LYS 32 3.150 -12.702 -6.252 237 HB3 LYS 32 2HB LYS 32 2.046 -12.725 -4.883 238 HG2 LYS 32 1HG LYS 32 0.362 -13.451 -6.849 239 HG3 LYS 32 2HG LYS 32 1.878 -14.101 -7.480 240 HD2 LYS 32 1HD LYS 32 1.293 -14.601 -4.620 241 HD3 LYS 32 2HD LYS 32 0.297 -15.458 -5.799 242 HE2 LYS 32 1HE LYS 32 2.003 -16.953 -5.626 243 HE3 LYS 32 2HE LYS 32 2.673 -15.924 -6.890 244 HZ1 LYS 32 3HZ LYS 32 3.282 -15.742 -3.989 245 HZ2 LYS 32 1HZ LYS 32 3.898 -14.710 -5.180 246 HZ3 LYS 32 2HZ LYS 32 4.310 -16.351 -5.187 247 H TYR 33 H TYR 33 3.065 -10.763 -8.358 248 HA TYR 33 HA TYR 33 1.323 -10.074 -10.357 249 HB2 TYR 33 1HB TYR 33 4.060 -11.152 -10.253 250 HB3 TYR 33 2HB TYR 33 3.222 -11.434 -11.775 251 HD1 TYR 33 HD1 TYR 33 1.958 -9.280 -12.715 252 HD2 TYR 33 HD2 TYR 33 5.269 -9.200 -10.043 253 HE1 TYR 33 HE1 TYR 33 2.472 -6.983 -13.429 254 HE2 TYR 33 HE2 TYR 33 5.790 -6.902 -10.749 255 HH TYR 33 HH TYR 33 5.373 -5.467 -12.797 256 H GLN 34 H GLN 34 -0.123 -11.079 -11.608 257 HA GLN 34 HA GLN 34 -1.159 -13.569 -11.030 258 HB2 GLN 34 1HB GLN 34 -2.348 -11.881 -12.353 259 HB3 GLN 34 2HB GLN 34 -1.226 -12.124 -13.685 260 HG2 GLN 34 1HG GLN 34 -3.394 -13.254 -14.003 261 HG3 GLN 34 2HG GLN 34 -2.018 -14.356 -14.028 262 HE21 GLN 34 2HE2 GLN 34 -3.000 -16.190 -13.384 263 HE22 GLN 34 1HE2 GLN 34 -3.763 -16.401 -11.848 264 H ILE 35 H ILE 35 1.040 -12.740 -13.708 265 HA ILE 35 HA ILE 35 1.437 -15.536 -14.341 266 HB ILE 35 HB ILE 35 2.850 -13.123 -15.483 267 HG12 ILE 35 1HG1 ILE 35 1.177 -13.868 -17.439 268 HG13 ILE 35 2HG1 ILE 35 0.216 -14.381 -16.056 269 HG21 ILE 35 1HG2 ILE 35 4.102 -14.580 -16.591 270 HG22 ILE 35 2HG2 ILE 35 3.279 -15.915 -15.786 271 HG23 ILE 35 3HG2 ILE 35 2.652 -15.281 -17.308 272 HD11 ILE 35 3HD1 ILE 35 0.213 -11.889 -17.153 273 HD12 ILE 35 1HD1 ILE 35 -0.326 -12.288 -15.522 274 HD13 ILE 35 2HD1 ILE 35 1.313 -11.693 -15.789 Start of MODEL 10 1 H1 GLU 1 H GLU 1 0.443 1.133 -0.914 2 HA GLU 1 HA GLU 1 3.238 0.657 -1.705 3 HB2 GLU 1 1HB GLU 1 1.705 -0.603 0.575 4 HB3 GLU 1 2HB GLU 1 3.418 -0.800 0.229 5 HG2 GLU 1 1HG GLU 1 3.557 0.767 1.856 6 HG3 GLU 1 2HG GLU 1 3.398 1.832 0.461 7 H CYS 2 H CYS 2 3.161 -0.472 -3.565 8 HA CYS 2 HA CYS 2 1.177 -2.490 -4.060 9 HB2 CYS 2 1HB CYS 2 3.684 -2.175 -5.680 10 HB3 CYS 2 2HB CYS 2 2.075 -2.651 -6.212 11 H LEU 3 H LEU 3 1.306 -4.622 -3.717 12 HA LEU 3 HA LEU 3 3.853 -5.686 -2.696 13 HB2 LEU 3 1HB LEU 3 1.442 -7.285 -2.259 14 HB3 LEU 3 2HB LEU 3 2.737 -6.857 -1.144 15 HG LEU 3 HG LEU 3 0.742 -4.769 -1.877 16 HD11 LEU 3 1HD1 LEU 3 -0.681 -5.557 0.016 17 HD12 LEU 3 2HD1 LEU 3 0.234 -7.064 0.006 18 HD13 LEU 3 3HD1 LEU 3 -0.715 -6.600 -1.406 19 HD21 LEU 3 3HD2 LEU 3 1.532 -5.132 0.900 20 HD22 LEU 3 1HD2 LEU 3 1.617 -3.699 -0.125 21 HD23 LEU 3 2HD2 LEU 3 2.907 -4.901 -0.181 22 H GLU 4 H GLU 4 4.727 -6.233 -4.707 23 HA GLU 4 HA GLU 4 3.245 -8.099 -6.390 24 HB2 GLU 4 1HB GLU 4 4.850 -7.688 -8.070 25 HB3 GLU 4 2HB GLU 4 4.566 -6.128 -7.310 26 HG2 GLU 4 1HG GLU 4 6.614 -6.705 -5.862 27 HG3 GLU 4 2HG GLU 4 6.950 -7.919 -7.096 28 H ILE 5 H ILE 5 5.645 -8.100 -3.958 29 HA ILE 5 HA ILE 5 6.958 -10.528 -4.725 30 HB ILE 5 HB ILE 5 8.130 -8.919 -3.334 31 HG12 ILE 5 1HG1 ILE 5 9.008 -10.435 -1.658 32 HG13 ILE 5 2HG1 ILE 5 7.551 -11.420 -1.734 33 HG21 ILE 5 1HG2 ILE 5 6.406 -7.891 -2.093 34 HG22 ILE 5 2HG2 ILE 5 5.888 -9.426 -1.396 35 HG23 ILE 5 3HG2 ILE 5 7.426 -8.711 -0.911 36 HD11 ILE 5 3HD1 ILE 5 9.402 -12.461 -2.915 37 HD12 ILE 5 1HD1 ILE 5 8.089 -12.053 -4.019 38 HD13 ILE 5 2HD1 ILE 5 9.538 -11.048 -3.961 39 H PHE 6 H PHE 6 4.009 -9.780 -3.190 40 HA PHE 6 HA PHE 6 2.363 -11.496 -2.931 41 HB2 PHE 6 1HB PHE 6 2.905 -13.700 -2.584 42 HB3 PHE 6 2HB PHE 6 4.386 -13.159 -3.368 43 HD1 PHE 6 HD2 PHE 6 5.472 -11.610 -0.972 44 HD2 PHE 6 HD1 PHE 6 3.819 -15.512 -1.368 45 HE1 PHE 6 HE2 PHE 6 6.775 -12.356 0.978 46 HE2 PHE 6 HE1 PHE 6 5.118 -16.264 0.581 47 HZ PHE 6 HZ PHE 6 6.600 -14.686 1.756 48 H LYS 7 H LYS 7 3.501 -9.327 -1.298 49 HA LYS 7 HA LYS 7 3.560 -10.144 1.426 50 HB2 LYS 7 1HB LYS 7 4.308 -7.891 0.123 51 HB3 LYS 7 2HB LYS 7 2.779 -7.358 0.810 52 HG2 LYS 7 1HG LYS 7 4.283 -6.761 2.445 53 HG3 LYS 7 2HG LYS 7 3.722 -8.333 3.020 54 HD2 LYS 7 1HD LYS 7 5.697 -9.400 2.078 55 HD3 LYS 7 2HD LYS 7 6.247 -7.850 1.437 56 HE2 LYS 7 1HE LYS 7 6.477 -6.970 3.681 57 HE3 LYS 7 2HE LYS 7 5.822 -8.459 4.361 58 HZ1 LYS 7 3HZ LYS 7 7.932 -9.107 4.504 59 HZ2 LYS 7 1HZ LYS 7 8.488 -7.872 3.489 60 HZ3 LYS 7 2HZ LYS 7 7.895 -9.310 2.824 61 H ALA 8 H ALA 8 1.999 -9.888 3.038 62 HA ALA 8 HA ALA 8 -0.590 -10.638 2.464 63 HB1 ALA 8 1HB ALA 8 0.846 -9.686 4.802 64 HB2 ALA 8 2HB ALA 8 -0.858 -9.232 4.821 65 HB3 ALA 8 3HB ALA 8 -0.399 -10.928 4.666 66 H CYS 9 H CYS 9 -1.972 -9.595 1.184 67 HA CYS 9 HA CYS 9 -1.980 -6.712 0.997 68 HB2 CYS 9 1HB CYS 9 -2.878 -7.086 -1.019 69 HB3 CYS 9 2HB CYS 9 -2.698 -8.810 -0.706 70 H ASN 10 H ASN 10 -3.735 -5.354 1.490 71 HA ASN 10 HA ASN 10 -5.332 -6.299 3.738 72 HB2 ASN 10 1HB ASN 10 -4.409 -3.663 2.747 73 HB3 ASN 10 2HB ASN 10 -5.986 -3.685 3.531 74 HD21 ASN 10 2HD2 ASN 10 -3.277 -2.619 4.289 75 HD22 ASN 10 1HD2 ASN 10 -3.004 -3.238 5.879 76 HA PRO 11 HA PRO 11 -9.089 -6.690 1.494 77 HB2 PRO 11 1HB PRO 11 -10.884 -6.074 3.436 78 HB3 PRO 11 2HB PRO 11 -9.982 -7.594 3.409 79 HG2 PRO 11 1HG PRO 11 -9.454 -5.106 4.987 80 HG3 PRO 11 2HG PRO 11 -9.374 -6.799 5.508 81 HD2 PRO 11 1HD PRO 11 -7.168 -5.367 4.864 82 HD3 PRO 11 2HD PRO 11 -7.286 -7.116 4.583 83 H SER 12 H SER 12 -8.914 -3.782 3.546 84 HA SER 12 HA SER 12 -10.490 -2.332 1.533 85 HB2 SER 12 1HB SER 12 -9.835 -1.371 4.319 86 HB3 SER 12 2HB SER 12 -11.092 -0.778 3.235 87 HG SER 12 HG SER 12 -10.993 -3.218 4.655 88 H ASN 13 H ASN 13 -7.565 -2.078 3.524 89 HA ASN 13 HA ASN 13 -6.654 0.359 2.428 90 HB2 ASN 13 1HB ASN 13 -5.569 -1.751 4.170 91 HB3 ASN 13 2HB ASN 13 -4.357 -0.890 3.227 92 HD21 ASN 13 2HD2 ASN 13 -4.023 1.297 3.586 93 HD22 ASN 13 1HD2 ASN 13 -4.616 2.099 4.996 94 H ASP 14 H ASP 14 -6.766 0.299 0.192 95 HA ASP 14 HA ASP 14 -5.854 -1.713 -1.489 96 HB2 ASP 14 1HB ASP 14 -7.188 0.378 -2.094 97 HB3 ASP 14 2HB ASP 14 -5.644 1.223 -2.147 98 H GLN 15 H GLN 15 -3.902 -2.616 -1.402 99 HA GLN 15 HA GLN 15 -1.559 -0.895 -0.986 100 HB2 GLN 15 1HB GLN 15 -1.660 -3.906 -0.818 101 HB3 GLN 15 2HB GLN 15 -0.376 -2.846 -0.254 102 HG2 GLN 15 1HG GLN 15 -2.464 -1.890 1.165 103 HG3 GLN 15 2HG GLN 15 -2.913 -3.588 1.020 104 HE21 GLN 15 2HE2 GLN 15 -1.741 -5.128 2.086 105 HE22 GLN 15 1HE2 GLN 15 -0.509 -4.755 3.239 106 H CYS 16 H CYS 16 -2.246 -3.918 -2.755 107 HA CYS 16 HA CYS 16 -0.223 -3.941 -4.545 108 HB2 CYS 16 1HB CYS 16 -2.991 -4.468 -5.571 109 HB3 CYS 16 2HB CYS 16 -1.502 -5.353 -5.887 110 H CYS 17 H CYS 17 0.163 -3.147 -6.643 111 HA CYS 17 HA CYS 17 -0.494 -0.423 -7.024 112 HB2 CYS 17 1HB CYS 17 1.143 -2.446 -8.364 113 HB3 CYS 17 2HB CYS 17 0.420 -1.290 -9.479 114 H LYS 18 H LYS 18 -1.102 0.062 -9.565 115 HA LYS 18 HA LYS 18 -3.837 -0.959 -9.791 116 HB2 LYS 18 1HB LYS 18 -2.446 1.532 -10.657 117 HB3 LYS 18 2HB LYS 18 -3.822 0.984 -11.605 118 HG2 LYS 18 1HG LYS 18 -4.556 2.581 -9.969 119 HG3 LYS 18 2HG LYS 18 -5.197 0.989 -9.559 120 HD2 LYS 18 1HD LYS 18 -3.407 0.700 -7.910 121 HD3 LYS 18 2HD LYS 18 -2.775 2.297 -8.319 122 HE2 LYS 18 1HE LYS 18 -5.600 1.892 -7.380 123 HE3 LYS 18 2HE LYS 18 -4.264 2.102 -6.249 124 HZ1 LYS 18 3HZ LYS 18 -4.030 4.115 -8.138 125 HZ2 LYS 18 1HZ LYS 18 -4.489 4.274 -6.517 126 HZ3 LYS 18 2HZ LYS 18 -5.667 4.066 -7.713 127 H SER 19 H SER 19 -1.605 0.220 -12.287 128 HA SER 19 HA SER 19 -2.551 -1.491 -14.285 129 HB2 SER 19 1HB SER 19 0.182 -0.203 -14.092 130 HB3 SER 19 2HB SER 19 -0.566 -0.831 -15.560 131 HG SER 19 HG SER 19 -2.345 0.753 -14.812 132 H SER 20 H SER 20 -0.263 -2.010 -11.747 133 HA SER 20 HA SER 20 1.240 -4.116 -12.800 134 HB2 SER 20 1HB SER 20 0.386 -3.797 -9.914 135 HB3 SER 20 2HB SER 20 1.793 -4.677 -10.510 136 HG SER 20 HG SER 20 2.669 -2.714 -11.201 137 H LYS 21 H LYS 21 1.065 -6.377 -12.570 138 HA LYS 21 HA LYS 21 -1.654 -7.343 -12.770 139 HB2 LYS 21 1HB LYS 21 0.945 -8.880 -12.935 140 HB3 LYS 21 2HB LYS 21 -0.643 -9.466 -13.411 141 HG2 LYS 21 1HG LYS 21 -0.539 -8.470 -15.405 142 HG3 LYS 21 2HG LYS 21 0.122 -6.978 -14.730 143 HD2 LYS 21 1HD LYS 21 1.754 -7.918 -16.212 144 HD3 LYS 21 2HD LYS 21 2.333 -8.120 -14.556 145 HE2 LYS 21 1HE LYS 21 1.283 -10.443 -14.657 146 HE3 LYS 21 2HE LYS 21 1.159 -10.187 -16.396 147 HZ1 LYS 21 3HZ LYS 21 3.328 -11.169 -15.059 148 HZ2 LYS 21 1HZ LYS 21 3.764 -9.570 -15.403 149 HZ3 LYS 21 2HZ LYS 21 3.310 -10.612 -16.656 150 H LEU 22 H LEU 22 0.776 -7.131 -10.367 151 HA LEU 22 HA LEU 22 0.538 -9.255 -8.732 152 HB2 LEU 22 1HB LEU 22 0.206 -6.998 -7.045 153 HB3 LEU 22 2HB LEU 22 1.669 -7.922 -7.376 154 HG LEU 22 HG LEU 22 0.794 -5.721 -9.213 155 HD11 LEU 22 1HD1 LEU 22 2.580 -5.353 -6.818 156 HD12 LEU 22 2HD1 LEU 22 0.888 -4.860 -6.872 157 HD13 LEU 22 3HD1 LEU 22 2.055 -4.124 -7.969 158 HD21 LEU 22 3HD2 LEU 22 2.585 -6.487 -10.292 159 HD22 LEU 22 1HD2 LEU 22 3.069 -7.498 -8.930 160 HD23 LEU 22 2HD2 LEU 22 3.549 -5.801 -8.983 161 H VAL 23 H VAL 23 -1.298 -10.395 -8.491 162 HA VAL 23 HA VAL 23 -3.756 -8.981 -7.735 163 HB VAL 23 HB VAL 23 -3.924 -10.529 -9.640 164 HG11 VAL 23 1HG1 VAL 23 -3.803 -12.982 -9.173 165 HG12 VAL 23 2HG1 VAL 23 -2.249 -12.148 -9.104 166 HG13 VAL 23 3HG1 VAL 23 -3.080 -12.592 -7.612 167 HG21 VAL 23 3HG2 VAL 23 -5.417 -11.534 -7.218 168 HG22 VAL 23 1HG2 VAL 23 -5.859 -10.112 -8.163 169 HG23 VAL 23 2HG2 VAL 23 -5.902 -11.712 -8.904 170 H CYS 24 H CYS 24 -4.929 -9.533 -5.900 171 HA CYS 24 HA CYS 24 -3.487 -11.189 -3.932 172 HB2 CYS 24 1HB CYS 24 -3.304 -9.204 -2.844 173 HB3 CYS 24 2HB CYS 24 -4.646 -8.480 -3.725 174 H SER 25 H SER 25 -6.543 -10.317 -5.363 175 HA SER 25 HA SER 25 -8.178 -11.808 -3.561 176 HB2 SER 25 1HB SER 25 -8.894 -9.889 -5.117 177 HB3 SER 25 2HB SER 25 -8.933 -11.105 -6.393 178 HG SER 25 HG SER 25 -10.330 -12.301 -4.819 179 H ARG 26 H ARG 26 -7.268 -12.394 -6.962 180 HA ARG 26 HA ARG 26 -8.326 -14.868 -7.353 181 HB2 ARG 26 1HB ARG 26 -5.769 -13.633 -8.319 182 HB3 ARG 26 2HB ARG 26 -6.172 -15.286 -8.762 183 HG2 ARG 26 1HG ARG 26 -8.459 -14.177 -9.462 184 HG3 ARG 26 2HG ARG 26 -7.448 -12.735 -9.581 185 HD2 ARG 26 1HD ARG 26 -6.164 -13.614 -11.286 186 HD3 ARG 26 2HD ARG 26 -6.534 -15.280 -10.844 187 HE ARG 26 HE ARG 26 -8.039 -13.579 -12.601 188 HH11 ARG 26 1HH1 ARG 26 -8.180 -16.331 -10.473 189 HH12 ARG 26 2HH1 ARG 26 -9.566 -17.024 -11.247 190 HH21 ARG 26 1HH2 ARG 26 -9.864 -14.482 -13.630 191 HH22 ARG 26 2HH2 ARG 26 -10.523 -15.972 -13.044 192 H LYS 27 H LYS 27 -5.046 -14.280 -6.079 193 HA LYS 27 HA LYS 27 -4.925 -17.047 -5.154 194 HB2 LYS 27 1HB LYS 27 -3.033 -15.422 -6.284 195 HB3 LYS 27 2HB LYS 27 -2.644 -15.287 -4.574 196 HG2 LYS 27 1HG LYS 27 -1.415 -17.117 -4.946 197 HG3 LYS 27 2HG LYS 27 -2.957 -17.966 -4.819 198 HD2 LYS 27 1HD LYS 27 -1.867 -18.734 -6.801 199 HD3 LYS 27 2HD LYS 27 -3.209 -17.699 -7.296 200 HE2 LYS 27 1HE LYS 27 -1.834 -16.062 -8.083 201 HE3 LYS 27 2HE LYS 27 -0.564 -16.414 -6.912 202 HZ1 LYS 27 3HZ LYS 27 -1.198 -18.239 -9.156 203 HZ2 LYS 27 1HZ LYS 27 0.184 -18.223 -8.181 204 HZ3 LYS 27 2HZ LYS 27 -0.074 -16.983 -9.301 205 H THR 28 H THR 28 -3.294 -16.876 -2.980 206 HA THR 28 HA THR 28 -5.018 -16.490 -0.859 207 HB THR 28 HB THR 28 -2.211 -15.945 -0.183 208 HG1 THR 28 HG1 THR 28 -2.894 -18.415 -1.432 209 HG21 THR 28 3HG2 THR 28 -4.397 -17.802 0.662 210 HG22 THR 28 1HG2 THR 28 -3.489 -16.632 1.619 211 HG23 THR 28 2HG2 THR 28 -2.731 -18.147 1.126 212 H ARG 29 H ARG 29 -4.463 -14.938 1.043 213 HA ARG 29 HA ARG 29 -5.254 -12.384 0.394 214 HB2 ARG 29 1HB ARG 29 -3.503 -13.083 2.754 215 HB3 ARG 29 2HB ARG 29 -4.620 -11.730 2.626 216 HG2 ARG 29 1HG ARG 29 -5.334 -14.652 2.744 217 HG3 ARG 29 2HG ARG 29 -5.584 -13.444 4.005 218 HD2 ARG 29 1HD ARG 29 -6.852 -13.393 1.269 219 HD3 ARG 29 2HD ARG 29 -7.643 -13.951 2.743 220 HE ARG 29 HE ARG 29 -6.668 -11.334 3.119 221 HH11 ARG 29 1HH1 ARG 29 -9.159 -13.082 1.428 222 HH12 ARG 29 2HH1 ARG 29 -10.265 -11.748 1.411 223 HH21 ARG 29 1HH2 ARG 29 -8.115 -9.571 3.103 224 HH22 ARG 29 2HH2 ARG 29 -9.670 -9.751 2.364 225 H ALA 30 H ALA 30 -2.124 -13.785 0.122 226 HA ALA 30 HA ALA 30 -0.606 -11.372 0.169 227 HB1 ALA 30 1HB ALA 30 0.992 -13.025 -1.204 228 HB2 ALA 30 2HB ALA 30 0.812 -13.094 0.549 229 HB3 ALA 30 3HB ALA 30 -0.092 -14.210 -0.475 230 H CYS 31 H CYS 31 0.062 -10.066 -1.477 231 HA CYS 31 HA CYS 31 -1.342 -10.403 -4.029 232 HB2 CYS 31 1HB CYS 31 -1.179 -8.218 -2.424 233 HB3 CYS 31 2HB CYS 31 0.161 -7.910 -3.524 234 H LYS 32 H LYS 32 -0.246 -11.278 -5.643 235 HA LYS 32 HA LYS 32 2.509 -10.458 -6.128 236 HB2 LYS 32 1HB LYS 32 3.406 -12.644 -6.240 237 HB3 LYS 32 2HB LYS 32 2.504 -12.579 -4.731 238 HG2 LYS 32 1HG LYS 32 0.665 -13.476 -6.614 239 HG3 LYS 32 2HG LYS 32 2.167 -14.318 -7.004 240 HD2 LYS 32 1HD LYS 32 1.510 -14.195 -4.139 241 HD3 LYS 32 2HD LYS 32 0.389 -15.137 -5.124 242 HE2 LYS 32 1HE LYS 32 2.208 -16.515 -4.212 243 HE3 LYS 32 2HE LYS 32 2.222 -16.478 -5.975 244 HZ1 LYS 32 3HZ LYS 32 4.442 -16.214 -5.223 245 HZ2 LYS 32 1HZ LYS 32 4.012 -14.993 -4.134 246 HZ3 LYS 32 2HZ LYS 32 3.940 -14.705 -5.799 247 H TYR 33 H TYR 33 3.180 -10.700 -8.284 248 HA TYR 33 HA TYR 33 1.269 -10.278 -10.243 249 HB2 TYR 33 1HB TYR 33 3.057 -10.627 -11.868 250 HB3 TYR 33 2HB TYR 33 3.650 -9.697 -10.497 251 HD1 TYR 33 HD1 TYR 33 5.095 -10.812 -8.791 252 HD2 TYR 33 HD2 TYR 33 3.998 -12.735 -12.425 253 HE1 TYR 33 HE1 TYR 33 6.925 -12.426 -8.482 254 HE2 TYR 33 HE2 TYR 33 5.824 -14.355 -12.125 255 HH TYR 33 HH TYR 33 7.312 -15.194 -10.608 256 H GLN 34 H GLN 34 -0.139 -11.562 -11.221 257 HA GLN 34 HA GLN 34 0.279 -14.468 -11.084 258 HB2 GLN 34 1HB GLN 34 -1.762 -13.881 -10.022 259 HB3 GLN 34 2HB GLN 34 -2.214 -12.793 -11.328 260 HG2 GLN 34 1HG GLN 34 -3.223 -14.419 -12.441 261 HG3 GLN 34 2HG GLN 34 -1.817 -15.474 -12.306 262 HE21 GLN 34 2HE2 GLN 34 -1.904 -17.161 -10.967 263 HE22 GLN 34 1HE2 GLN 34 -3.193 -17.489 -9.864 264 H ILE 35 H ILE 35 -1.564 -12.356 -13.279 265 HA ILE 35 HA ILE 35 -0.073 -13.484 -15.541 266 HB ILE 35 HB ILE 35 -2.193 -13.676 -16.831 267 HG12 ILE 35 1HG1 ILE 35 -3.747 -13.753 -14.294 268 HG13 ILE 35 2HG1 ILE 35 -3.342 -12.169 -14.945 269 HG21 ILE 35 1HG2 ILE 35 -2.041 -15.832 -16.334 270 HG22 ILE 35 2HG2 ILE 35 -1.129 -15.420 -14.883 271 HG23 ILE 35 3HG2 ILE 35 -2.885 -15.562 -14.809 272 HD11 ILE 35 3HD1 ILE 35 -5.075 -14.302 -16.102 273 HD12 ILE 35 1HD1 ILE 35 -5.409 -12.586 -15.868 274 HD13 ILE 35 2HD1 ILE 35 -4.315 -13.106 -17.151 Start of MODEL 11 1 H1 GLU 1 H GLU 1 2.081 -0.277 1.017 2 HA GLU 1 HA GLU 1 1.836 0.953 -1.558 3 HB2 GLU 1 1HB GLU 1 4.038 -0.685 -0.297 4 HB3 GLU 1 2HB GLU 1 4.163 0.052 -1.889 5 HG2 GLU 1 1HG GLU 1 3.819 1.477 0.738 6 HG3 GLU 1 2HG GLU 1 5.263 1.440 -0.271 7 H CYS 2 H CYS 2 2.984 -0.479 -3.415 8 HA CYS 2 HA CYS 2 1.049 -2.501 -4.032 9 HB2 CYS 2 1HB CYS 2 3.561 -2.036 -5.614 10 HB3 CYS 2 2HB CYS 2 1.969 -2.526 -6.186 11 H LEU 3 H LEU 3 1.194 -4.638 -3.777 12 HA LEU 3 HA LEU 3 3.762 -5.739 -2.852 13 HB2 LEU 3 1HB LEU 3 1.300 -7.312 -2.472 14 HB3 LEU 3 2HB LEU 3 2.672 -7.071 -1.391 15 HG LEU 3 HG LEU 3 0.771 -4.815 -1.817 16 HD11 LEU 3 1HD1 LEU 3 -0.974 -5.762 -0.818 17 HD12 LEU 3 2HD1 LEU 3 0.037 -6.468 0.442 18 HD13 LEU 3 3HD1 LEU 3 -0.181 -7.313 -1.090 19 HD21 LEU 3 3HD2 LEU 3 1.726 -5.512 0.857 20 HD22 LEU 3 1HD2 LEU 3 1.759 -3.968 0.004 21 HD23 LEU 3 2HD2 LEU 3 3.015 -5.169 -0.298 22 H GLU 4 H GLU 4 4.606 -6.178 -4.902 23 HA GLU 4 HA GLU 4 3.106 -7.963 -6.655 24 HB2 GLU 4 1HB GLU 4 4.730 -7.488 -8.325 25 HB3 GLU 4 2HB GLU 4 4.366 -5.962 -7.533 26 HG2 GLU 4 1HG GLU 4 6.420 -6.442 -6.084 27 HG3 GLU 4 2HG GLU 4 6.823 -7.654 -7.298 28 H ILE 5 H ILE 5 5.542 -8.077 -4.263 29 HA ILE 5 HA ILE 5 6.837 -10.468 -5.179 30 HB ILE 5 HB ILE 5 8.065 -8.926 -3.767 31 HG12 ILE 5 1HG1 ILE 5 8.979 -10.505 -2.171 32 HG13 ILE 5 2HG1 ILE 5 7.511 -11.474 -2.233 33 HG21 ILE 5 1HG2 ILE 5 6.343 -7.947 -2.454 34 HG22 ILE 5 2HG2 ILE 5 5.910 -9.503 -1.747 35 HG23 ILE 5 3HG2 ILE 5 7.450 -8.747 -1.338 36 HD11 ILE 5 3HD1 ILE 5 9.337 -12.476 -3.505 37 HD12 ILE 5 1HD1 ILE 5 7.969 -12.058 -4.538 38 HD13 ILE 5 2HD1 ILE 5 9.409 -11.040 -4.526 39 H PHE 6 H PHE 6 3.945 -9.774 -3.512 40 HA PHE 6 HA PHE 6 2.300 -11.492 -3.264 41 HB2 PHE 6 1HB PHE 6 2.841 -13.707 -3.067 42 HB3 PHE 6 2HB PHE 6 4.322 -13.136 -3.830 43 HD1 PHE 6 HD2 PHE 6 5.545 -11.766 -1.454 44 HD2 PHE 6 HD1 PHE 6 3.638 -15.550 -1.864 45 HE1 PHE 6 HE2 PHE 6 6.852 -12.627 0.444 46 HE2 PHE 6 HE1 PHE 6 4.942 -16.416 0.034 47 HZ PHE 6 HZ PHE 6 6.553 -14.955 1.190 48 H LYS 7 H LYS 7 3.411 -9.383 -1.598 49 HA LYS 7 HA LYS 7 3.540 -10.361 1.097 50 HB2 LYS 7 1HB LYS 7 4.140 -7.939 -0.247 51 HB3 LYS 7 2HB LYS 7 2.949 -7.558 0.990 52 HG2 LYS 7 1HG LYS 7 5.236 -7.292 1.806 53 HG3 LYS 7 2HG LYS 7 4.364 -8.544 2.695 54 HD2 LYS 7 1HD LYS 7 5.669 -10.219 1.883 55 HD3 LYS 7 2HD LYS 7 5.921 -9.417 0.331 56 HE2 LYS 7 1HE LYS 7 7.655 -8.113 1.141 57 HE3 LYS 7 2HE LYS 7 7.133 -8.280 2.816 58 HZ1 LYS 7 3HZ LYS 7 7.743 -10.709 2.557 59 HZ2 LYS 7 1HZ LYS 7 9.029 -9.610 2.618 60 HZ3 LYS 7 2HZ LYS 7 8.544 -10.263 1.135 61 H ALA 8 H ALA 8 1.981 -10.343 2.657 62 HA ALA 8 HA ALA 8 -0.640 -10.793 2.092 63 HB1 ALA 8 1HB ALA 8 0.884 -10.219 4.455 64 HB2 ALA 8 2HB ALA 8 -0.704 -9.459 4.556 65 HB3 ALA 8 3HB ALA 8 -0.574 -11.195 4.274 66 H CYS 9 H CYS 9 -2.134 -9.621 1.102 67 HA CYS 9 HA CYS 9 -1.921 -6.715 1.070 68 HB2 CYS 9 1HB CYS 9 -2.847 -6.852 -0.966 69 HB3 CYS 9 2HB CYS 9 -2.697 -8.600 -0.826 70 H ASN 10 H ASN 10 -3.623 -5.327 1.667 71 HA ASN 10 HA ASN 10 -5.254 -6.375 3.839 72 HB2 ASN 10 1HB ASN 10 -4.345 -3.671 2.975 73 HB3 ASN 10 2HB ASN 10 -5.846 -3.776 3.891 74 HD21 ASN 10 2HD2 ASN 10 -5.144 -2.864 5.750 75 HD22 ASN 10 1HD2 ASN 10 -3.929 -3.556 6.766 76 HA PRO 11 HA PRO 11 -9.025 -6.524 1.589 77 HB2 PRO 11 1HB PRO 11 -10.799 -5.991 3.574 78 HB3 PRO 11 2HB PRO 11 -9.936 -7.529 3.444 79 HG2 PRO 11 1HG PRO 11 -9.341 -5.163 5.179 80 HG3 PRO 11 2HG PRO 11 -9.303 -6.888 5.588 81 HD2 PRO 11 1HD PRO 11 -7.062 -5.474 5.030 82 HD3 PRO 11 2HD PRO 11 -7.226 -7.197 4.636 83 H SER 12 H SER 12 -8.743 -3.756 3.813 84 HA SER 12 HA SER 12 -10.352 -2.148 1.958 85 HB2 SER 12 1HB SER 12 -9.612 -1.788 4.861 86 HB3 SER 12 2HB SER 12 -10.322 -0.487 3.906 87 HG SER 12 HG SER 12 -11.481 -3.055 4.253 88 H ASN 13 H ASN 13 -7.277 -2.118 3.722 89 HA ASN 13 HA ASN 13 -6.353 0.332 2.634 90 HB2 ASN 13 1HB ASN 13 -5.525 -1.180 4.685 91 HB3 ASN 13 2HB ASN 13 -4.381 -1.733 3.466 92 HD21 ASN 13 2HD2 ASN 13 -5.021 0.576 5.777 93 HD22 ASN 13 1HD2 ASN 13 -3.834 1.746 5.322 94 H ASP 14 H ASP 14 -6.592 0.299 0.406 95 HA ASP 14 HA ASP 14 -5.857 -1.710 -1.352 96 HB2 ASP 14 1HB ASP 14 -5.649 1.267 -1.849 97 HB3 ASP 14 2HB ASP 14 -5.776 0.011 -3.076 98 H GLN 15 H GLN 15 -3.946 -2.730 -1.169 99 HA GLN 15 HA GLN 15 -1.501 -1.162 -0.852 100 HB2 GLN 15 1HB GLN 15 -2.131 -4.093 -0.601 101 HB3 GLN 15 2HB GLN 15 -0.472 -3.515 -0.684 102 HG2 GLN 15 1HG GLN 15 -1.305 -1.929 1.256 103 HG3 GLN 15 2HG GLN 15 -2.482 -3.222 1.477 104 HE21 GLN 15 2HE2 GLN 15 -1.826 -5.182 2.260 105 HE22 GLN 15 1HE2 GLN 15 -0.240 -5.474 2.879 106 H CYS 16 H CYS 16 -2.409 -4.006 -2.808 107 HA CYS 16 HA CYS 16 -0.457 -4.012 -4.669 108 HB2 CYS 16 1HB CYS 16 -3.295 -4.283 -5.612 109 HB3 CYS 16 2HB CYS 16 -1.877 -5.215 -6.084 110 H CYS 17 H CYS 17 -0.083 -3.083 -6.712 111 HA CYS 17 HA CYS 17 -0.641 -0.297 -6.860 112 HB2 CYS 17 1HB CYS 17 1.021 -2.228 -8.269 113 HB3 CYS 17 2HB CYS 17 0.299 -1.055 -9.366 114 H LYS 18 H LYS 18 -1.178 0.383 -9.378 115 HA LYS 18 HA LYS 18 -3.941 -0.515 -9.711 116 HB2 LYS 18 1HB LYS 18 -2.466 1.968 -10.226 117 HB3 LYS 18 2HB LYS 18 -3.570 1.520 -11.520 118 HG2 LYS 18 1HG LYS 18 -4.633 3.008 -9.914 119 HG3 LYS 18 2HG LYS 18 -5.414 1.425 -9.937 120 HD2 LYS 18 1HD LYS 18 -3.287 1.446 -8.007 121 HD3 LYS 18 2HD LYS 18 -4.380 2.801 -7.716 122 HE2 LYS 18 1HE LYS 18 -6.225 0.962 -8.065 123 HE3 LYS 18 2HE LYS 18 -4.913 -0.131 -7.628 124 HZ1 LYS 18 3HZ LYS 18 -5.007 2.062 -5.841 125 HZ2 LYS 18 1HZ LYS 18 -5.154 0.410 -5.508 126 HZ3 LYS 18 2HZ LYS 18 -6.523 1.316 -5.914 127 H SER 19 H SER 19 -1.659 0.676 -12.149 128 HA SER 19 HA SER 19 -2.637 -0.942 -14.206 129 HB2 SER 19 1HB SER 19 -0.126 0.640 -13.806 130 HB3 SER 19 2HB SER 19 -0.246 -0.442 -15.194 131 HG SER 19 HG SER 19 -1.122 1.346 -15.984 132 H SER 20 H SER 20 -0.504 -1.669 -11.621 133 HA SER 20 HA SER 20 0.992 -3.763 -12.751 134 HB2 SER 20 1HB SER 20 0.109 -3.471 -9.870 135 HB3 SER 20 2HB SER 20 1.458 -4.444 -10.458 136 HG SER 20 HG SER 20 2.635 -2.719 -10.381 137 H LYS 21 H LYS 21 0.740 -6.024 -12.603 138 HA LYS 21 HA LYS 21 -2.025 -6.883 -12.812 139 HB2 LYS 21 1HB LYS 21 -1.029 -9.044 -13.538 140 HB3 LYS 21 2HB LYS 21 -0.511 -7.674 -14.512 141 HG2 LYS 21 1HG LYS 21 1.628 -7.650 -13.516 142 HG3 LYS 21 2HG LYS 21 1.121 -8.747 -12.230 143 HD2 LYS 21 1HD LYS 21 2.468 -9.925 -13.880 144 HD3 LYS 21 2HD LYS 21 0.809 -10.530 -13.889 145 HE2 LYS 21 1HE LYS 21 0.302 -9.390 -15.892 146 HE3 LYS 21 2HE LYS 21 1.755 -8.397 -15.785 147 HZ1 LYS 21 3HZ LYS 21 1.943 -10.180 -17.438 148 HZ2 LYS 21 1HZ LYS 21 1.740 -11.335 -16.218 149 HZ3 LYS 21 2HZ LYS 21 3.100 -10.330 -16.213 150 H LEU 22 H LEU 22 0.502 -6.914 -10.501 151 HA LEU 22 HA LEU 22 0.258 -9.139 -9.008 152 HB2 LEU 22 1HB LEU 22 0.091 -7.074 -7.113 153 HB3 LEU 22 2HB LEU 22 1.534 -7.911 -7.682 154 HG LEU 22 HG LEU 22 0.490 -5.584 -9.235 155 HD11 LEU 22 1HD1 LEU 22 2.247 -5.329 -6.801 156 HD12 LEU 22 2HD1 LEU 22 0.546 -4.873 -6.865 157 HD13 LEU 22 3HD1 LEU 22 1.722 -4.032 -7.874 158 HD21 LEU 22 3HD2 LEU 22 2.299 -6.203 -10.391 159 HD22 LEU 22 1HD2 LEU 22 2.906 -7.209 -9.074 160 HD23 LEU 22 2HD2 LEU 22 3.229 -5.474 -9.080 161 H VAL 23 H VAL 23 -1.545 -10.262 -8.628 162 HA VAL 23 HA VAL 23 -3.972 -8.836 -7.799 163 HB VAL 23 HB VAL 23 -4.221 -10.385 -9.686 164 HG11 VAL 23 1HG1 VAL 23 -4.040 -12.823 -9.280 165 HG12 VAL 23 2HG1 VAL 23 -2.491 -11.984 -9.175 166 HG13 VAL 23 3HG1 VAL 23 -3.330 -12.476 -7.703 167 HG21 VAL 23 3HG2 VAL 23 -5.605 -11.453 -7.229 168 HG22 VAL 23 1HG2 VAL 23 -6.076 -9.979 -8.077 169 HG23 VAL 23 2HG2 VAL 23 -6.173 -11.538 -8.897 170 H CYS 24 H CYS 24 -5.083 -9.370 -5.921 171 HA CYS 24 HA CYS 24 -3.585 -11.025 -3.995 172 HB2 CYS 24 1HB CYS 24 -3.354 -9.031 -2.930 173 HB3 CYS 24 2HB CYS 24 -4.729 -8.310 -3.760 174 H SER 25 H SER 25 -6.684 -10.139 -5.323 175 HA SER 25 HA SER 25 -8.257 -11.627 -3.460 176 HB2 SER 25 1HB SER 25 -10.089 -11.283 -5.113 177 HB3 SER 25 2HB SER 25 -9.263 -9.786 -4.684 178 HG SER 25 HG SER 25 -8.565 -9.603 -6.667 179 H ARG 26 H ARG 26 -7.445 -12.193 -6.888 180 HA ARG 26 HA ARG 26 -8.550 -14.671 -7.237 181 HB2 ARG 26 1HB ARG 26 -6.005 -13.495 -8.339 182 HB3 ARG 26 2HB ARG 26 -6.585 -15.080 -8.834 183 HG2 ARG 26 1HG ARG 26 -8.679 -14.056 -9.605 184 HG3 ARG 26 2HG ARG 26 -8.054 -12.470 -9.148 185 HD2 ARG 26 1HD ARG 26 -6.092 -12.980 -10.688 186 HD3 ARG 26 2HD ARG 26 -7.060 -14.323 -11.296 187 HE ARG 26 HE ARG 26 -8.433 -11.799 -11.339 188 HH11 ARG 26 1HH1 ARG 26 -6.265 -13.909 -13.062 189 HH12 ARG 26 2HH1 ARG 26 -6.646 -13.246 -14.617 190 HH21 ARG 26 1HH2 ARG 26 -8.943 -10.917 -13.380 191 HH22 ARG 26 2HH2 ARG 26 -8.169 -11.543 -14.797 192 H LYS 27 H LYS 27 -5.203 -14.059 -6.165 193 HA LYS 27 HA LYS 27 -4.968 -16.835 -5.307 194 HB2 LYS 27 1HB LYS 27 -2.896 -14.639 -5.181 195 HB3 LYS 27 2HB LYS 27 -2.617 -16.365 -4.991 196 HG2 LYS 27 1HG LYS 27 -3.770 -15.262 -7.523 197 HG3 LYS 27 2HG LYS 27 -2.029 -15.263 -7.232 198 HD2 LYS 27 1HD LYS 27 -2.230 -17.284 -8.271 199 HD3 LYS 27 2HD LYS 27 -2.514 -17.794 -6.605 200 HE2 LYS 27 1HE LYS 27 -4.749 -18.132 -6.946 201 HE3 LYS 27 2HE LYS 27 -4.851 -16.914 -8.216 202 HZ1 LYS 27 3HZ LYS 27 -5.004 -19.415 -8.813 203 HZ2 LYS 27 1HZ LYS 27 -3.317 -19.376 -8.693 204 HZ3 LYS 27 2HZ LYS 27 -4.108 -18.376 -9.803 205 H THR 28 H THR 28 -3.246 -16.646 -3.189 206 HA THR 28 HA THR 28 -4.891 -16.434 -0.991 207 HB THR 28 HB THR 28 -2.104 -15.701 -0.415 208 HG1 THR 28 HG1 THR 28 -2.637 -18.204 -1.665 209 HG21 THR 28 3HG2 THR 28 -2.861 -18.271 0.539 210 HG22 THR 28 1HG2 THR 28 -4.233 -17.183 0.744 211 HG23 THR 28 2HG2 THR 28 -2.670 -16.775 1.451 212 H ARG 29 H ARG 29 -4.447 -14.902 0.923 213 HA ARG 29 HA ARG 29 -5.404 -12.385 0.353 214 HB2 ARG 29 1HB ARG 29 -3.893 -13.507 2.685 215 HB3 ARG 29 2HB ARG 29 -4.267 -11.790 2.634 216 HG2 ARG 29 1HG ARG 29 -5.957 -12.909 3.900 217 HG3 ARG 29 2HG ARG 29 -6.662 -12.369 2.375 218 HD2 ARG 29 1HD ARG 29 -6.840 -14.506 1.545 219 HD3 ARG 29 2HD ARG 29 -5.521 -15.116 2.544 220 HE ARG 29 HE ARG 29 -7.068 -15.683 4.113 221 HH11 ARG 29 1HH1 ARG 29 -8.412 -13.182 2.099 222 HH12 ARG 29 2HH1 ARG 29 -9.967 -13.221 2.863 223 HH21 ARG 29 1HH2 ARG 29 -9.110 -15.744 5.127 224 HH22 ARG 29 2HH2 ARG 29 -10.362 -14.678 4.586 225 H ALA 30 H ALA 30 -2.194 -13.573 0.030 226 HA ALA 30 HA ALA 30 -0.882 -11.021 0.104 227 HB1 ALA 30 1HB ALA 30 0.791 -12.758 -1.262 228 HB2 ALA 30 2HB ALA 30 0.808 -12.423 0.470 229 HB3 ALA 30 3HB ALA 30 -0.103 -13.799 -0.153 230 H CYS 31 H CYS 31 -0.089 -9.819 -1.620 231 HA CYS 31 HA CYS 31 -1.486 -10.275 -4.158 232 HB2 CYS 31 1HB CYS 31 -1.299 -8.010 -2.659 233 HB3 CYS 31 2HB CYS 31 0.029 -7.769 -3.790 234 H LYS 32 H LYS 32 -0.406 -11.132 -5.792 235 HA LYS 32 HA LYS 32 2.405 -10.447 -6.191 236 HB2 LYS 32 1HB LYS 32 3.202 -12.632 -6.256 237 HB3 LYS 32 2HB LYS 32 2.095 -12.667 -4.890 238 HG2 LYS 32 1HG LYS 32 0.386 -13.408 -6.775 239 HG3 LYS 32 2HG LYS 32 1.875 -13.956 -7.548 240 HD2 LYS 32 1HD LYS 32 1.480 -14.636 -4.685 241 HD3 LYS 32 2HD LYS 32 0.492 -15.492 -5.871 242 HE2 LYS 32 1HE LYS 32 2.612 -16.033 -7.100 243 HE3 LYS 32 2HE LYS 32 3.500 -15.365 -5.731 244 HZ1 LYS 32 3HZ LYS 32 2.544 -17.022 -4.302 245 HZ2 LYS 32 1HZ LYS 32 3.254 -17.794 -5.629 246 HZ3 LYS 32 2HZ LYS 32 1.574 -17.619 -5.553 247 H TYR 33 H TYR 33 3.127 -10.672 -8.339 248 HA TYR 33 HA TYR 33 1.369 -9.983 -10.338 249 HB2 TYR 33 1HB TYR 33 3.128 -10.401 -11.899 250 HB3 TYR 33 2HB TYR 33 3.887 -9.848 -10.411 251 HD1 TYR 33 HD2 TYR 33 5.142 -11.418 -8.998 252 HD2 TYR 33 HD1 TYR 33 3.463 -12.642 -12.711 253 HE1 TYR 33 HE2 TYR 33 6.563 -13.425 -8.973 254 HE2 TYR 33 HE1 TYR 33 4.878 -14.653 -12.696 255 HH TYR 33 HH TYR 33 7.335 -15.151 -10.218 256 H GLN 34 H GLN 34 0.285 -11.057 -11.970 257 HA GLN 34 HA GLN 34 -0.608 -13.708 -11.324 258 HB2 GLN 34 1HB GLN 34 -2.134 -11.996 -12.236 259 HB3 GLN 34 2HB GLN 34 -1.220 -11.995 -13.739 260 HG2 GLN 34 1HG GLN 34 -1.775 -14.577 -13.657 261 HG3 GLN 34 2HG GLN 34 -3.119 -14.005 -12.669 262 HE21 GLN 34 2HE2 GLN 34 -3.781 -11.661 -13.827 263 HE22 GLN 34 1HE2 GLN 34 -4.318 -11.916 -15.448 264 H ILE 35 H ILE 35 0.415 -15.501 -11.886 265 HA ILE 35 HA ILE 35 2.660 -15.685 -13.484 266 HB ILE 35 HB ILE 35 1.864 -17.444 -11.904 267 HG12 ILE 35 1HG1 ILE 35 2.417 -19.383 -13.583 268 HG13 ILE 35 2HG1 ILE 35 2.730 -18.064 -14.706 269 HG21 ILE 35 1HG2 ILE 35 0.263 -19.113 -12.716 270 HG22 ILE 35 2HG2 ILE 35 -0.470 -17.516 -12.577 271 HG23 ILE 35 3HG2 ILE 35 -0.010 -18.140 -14.161 272 HD11 ILE 35 3HD1 ILE 35 4.062 -17.434 -12.307 273 HD12 ILE 35 1HD1 ILE 35 4.409 -19.125 -12.671 274 HD13 ILE 35 2HD1 ILE 35 4.761 -17.875 -13.865 Start of MODEL 12 1 H1 GLU 1 H GLU 1 3.470 1.539 -1.789 2 HA GLU 1 HA GLU 1 2.447 -0.389 -0.066 3 HB2 GLU 1 1HB GLU 1 0.248 0.518 -0.584 4 HB3 GLU 1 2HB GLU 1 1.419 1.818 -0.415 5 HG2 GLU 1 1HG GLU 1 0.936 0.755 -3.137 6 HG3 GLU 1 2HG GLU 1 -0.332 1.731 -2.398 7 H CYS 2 H CYS 2 3.082 -0.609 -3.393 8 HA CYS 2 HA CYS 2 1.085 -2.581 -4.019 9 HB2 CYS 2 1HB CYS 2 3.584 -2.157 -5.628 10 HB3 CYS 2 2HB CYS 2 1.970 -2.592 -6.182 11 H LEU 3 H LEU 3 1.202 -4.721 -3.775 12 HA LEU 3 HA LEU 3 3.764 -5.863 -2.885 13 HB2 LEU 3 1HB LEU 3 1.292 -7.412 -2.487 14 HB3 LEU 3 2HB LEU 3 2.672 -7.180 -1.414 15 HG LEU 3 HG LEU 3 0.731 -4.945 -1.839 16 HD11 LEU 3 1HD1 LEU 3 -0.851 -5.772 -0.419 17 HD12 LEU 3 2HD1 LEU 3 0.281 -6.850 0.397 18 HD13 LEU 3 3HD1 LEU 3 -0.342 -7.269 -1.199 19 HD21 LEU 3 3HD2 LEU 3 1.776 -5.483 0.820 20 HD22 LEU 3 1HD2 LEU 3 1.819 -4.001 -0.136 21 HD23 LEU 3 2HD2 LEU 3 3.049 -5.242 -0.378 22 H GLU 4 H GLU 4 4.581 -6.303 -4.945 23 HA GLU 4 HA GLU 4 3.038 -8.053 -6.695 24 HB2 GLU 4 1HB GLU 4 4.638 -7.583 -8.380 25 HB3 GLU 4 2HB GLU 4 4.339 -6.060 -7.555 26 HG2 GLU 4 1HG GLU 4 6.400 -6.575 -6.170 27 HG3 GLU 4 2HG GLU 4 6.734 -7.852 -7.339 28 H ILE 5 H ILE 5 5.490 -8.224 -4.324 29 HA ILE 5 HA ILE 5 6.722 -10.642 -5.268 30 HB ILE 5 HB ILE 5 8.010 -9.117 -3.887 31 HG12 ILE 5 1HG1 ILE 5 8.941 -10.716 -2.323 32 HG13 ILE 5 2HG1 ILE 5 7.454 -11.658 -2.343 33 HG21 ILE 5 1HG2 ILE 5 5.642 -9.012 -2.345 34 HG22 ILE 5 2HG2 ILE 5 6.927 -9.624 -1.304 35 HG23 ILE 5 3HG2 ILE 5 7.126 -8.082 -2.136 36 HD11 ILE 5 3HD1 ILE 5 9.194 -12.711 -3.668 37 HD12 ILE 5 1HD1 ILE 5 7.837 -12.220 -4.681 38 HD13 ILE 5 2HD1 ILE 5 9.320 -11.265 -4.670 39 H PHE 6 H PHE 6 3.877 -9.882 -3.558 40 HA PHE 6 HA PHE 6 2.205 -11.570 -3.273 41 HB2 PHE 6 1HB PHE 6 2.713 -13.792 -3.039 42 HB3 PHE 6 2HB PHE 6 4.182 -13.257 -3.848 43 HD1 PHE 6 HD2 PHE 6 5.435 -11.845 -1.483 44 HD2 PHE 6 HD1 PHE 6 3.561 -15.647 -1.867 45 HE1 PHE 6 HE2 PHE 6 6.777 -12.692 0.397 46 HE2 PHE 6 HE1 PHE 6 4.899 -16.500 0.013 47 HZ PHE 6 HZ PHE 6 6.511 -15.023 1.147 48 H LYS 7 H LYS 7 3.452 -9.474 -1.636 49 HA LYS 7 HA LYS 7 3.587 -10.405 1.063 50 HB2 LYS 7 1HB LYS 7 4.266 -8.059 -0.291 51 HB3 LYS 7 2HB LYS 7 2.976 -7.579 0.804 52 HG2 LYS 7 1HG LYS 7 5.118 -7.263 1.861 53 HG3 LYS 7 2HG LYS 7 4.232 -8.551 2.680 54 HD2 LYS 7 1HD LYS 7 5.767 -10.096 2.146 55 HD3 LYS 7 2HD LYS 7 5.925 -9.498 0.493 56 HE2 LYS 7 1HE LYS 7 7.177 -8.219 2.921 57 HE3 LYS 7 2HE LYS 7 8.013 -9.304 1.812 58 HZ1 LYS 7 3HZ LYS 7 8.398 -7.618 0.453 59 HZ2 LYS 7 1HZ LYS 7 7.713 -6.560 1.581 60 HZ3 LYS 7 2HZ LYS 7 6.753 -7.235 0.364 61 H ALA 8 H ALA 8 2.084 -10.206 2.707 62 HA ALA 8 HA ALA 8 -0.560 -10.720 2.196 63 HB1 ALA 8 1HB ALA 8 0.161 -9.163 4.642 64 HB2 ALA 8 2HB ALA 8 -0.943 -10.527 4.464 65 HB3 ALA 8 3HB ALA 8 0.800 -10.791 4.413 66 H CYS 9 H CYS 9 -2.093 -9.571 1.241 67 HA CYS 9 HA CYS 9 -1.879 -6.656 1.174 68 HB2 CYS 9 1HB CYS 9 -2.724 -6.818 -0.891 69 HB3 CYS 9 2HB CYS 9 -2.630 -8.569 -0.728 70 H ASN 10 H ASN 10 -3.594 -5.289 1.761 71 HA ASN 10 HA ASN 10 -5.250 -6.359 3.898 72 HB2 ASN 10 1HB ASN 10 -4.455 -3.616 2.999 73 HB3 ASN 10 2HB ASN 10 -5.893 -3.806 3.997 74 HD21 ASN 10 2HD2 ASN 10 -3.046 -2.725 4.360 75 HD22 ASN 10 1HD2 ASN 10 -2.551 -3.413 5.866 76 HA PRO 11 HA PRO 11 -8.982 -6.602 1.594 77 HB2 PRO 11 1HB PRO 11 -10.797 -6.095 3.549 78 HB3 PRO 11 2HB PRO 11 -9.900 -7.615 3.441 79 HG2 PRO 11 1HG PRO 11 -9.380 -5.227 5.170 80 HG3 PRO 11 2HG PRO 11 -9.312 -6.948 5.590 81 HD2 PRO 11 1HD PRO 11 -7.094 -5.489 5.057 82 HD3 PRO 11 2HD PRO 11 -7.215 -7.218 4.671 83 H SER 12 H SER 12 -8.795 -3.816 3.805 84 HA SER 12 HA SER 12 -10.410 -2.254 1.917 85 HB2 SER 12 1HB SER 12 -10.443 -0.581 3.854 86 HB3 SER 12 2HB SER 12 -11.313 -2.095 4.103 87 HG SER 12 HG SER 12 -10.119 -2.239 5.825 88 H ASN 13 H ASN 13 -7.361 -2.148 3.722 89 HA ASN 13 HA ASN 13 -6.475 0.314 2.626 90 HB2 ASN 13 1HB ASN 13 -5.646 -1.168 4.703 91 HB3 ASN 13 2HB ASN 13 -4.465 -1.692 3.506 92 HD21 ASN 13 2HD2 ASN 13 -4.638 0.204 5.985 93 HD22 ASN 13 1HD2 ASN 13 -3.700 1.562 5.473 94 H ASP 14 H ASP 14 -6.682 0.249 0.394 95 HA ASP 14 HA ASP 14 -5.894 -1.749 -1.340 96 HB2 ASP 14 1HB ASP 14 -5.615 1.212 -1.887 97 HB3 ASP 14 2HB ASP 14 -5.840 -0.072 -3.072 98 H GLN 15 H GLN 15 -3.991 -2.764 -1.255 99 HA GLN 15 HA GLN 15 -1.548 -1.203 -0.836 100 HB2 GLN 15 1HB GLN 15 -2.105 -4.166 -0.707 101 HB3 GLN 15 2HB GLN 15 -0.489 -3.484 -0.586 102 HG2 GLN 15 1HG GLN 15 -1.692 -2.039 1.304 103 HG3 GLN 15 2HG GLN 15 -2.705 -3.480 1.366 104 HE21 GLN 15 2HE2 GLN 15 -2.081 -4.867 2.841 105 HE22 GLN 15 1HE2 GLN 15 -0.455 -5.178 3.334 106 H CYS 16 H CYS 16 -2.407 -4.040 -2.823 107 HA CYS 16 HA CYS 16 -0.432 -4.019 -4.657 108 HB2 CYS 16 1HB CYS 16 -3.258 -4.306 -5.632 109 HB3 CYS 16 2HB CYS 16 -1.827 -5.214 -6.108 110 H CYS 17 H CYS 17 -0.019 -3.065 -6.674 111 HA CYS 17 HA CYS 17 -0.561 -0.287 -6.817 112 HB2 CYS 17 1HB CYS 17 1.040 -2.238 -8.277 113 HB3 CYS 17 2HB CYS 17 0.335 -1.022 -9.338 114 H LYS 18 H LYS 18 -1.169 0.494 -9.245 115 HA LYS 18 HA LYS 18 -3.951 -0.280 -9.528 116 HB2 LYS 18 1HB LYS 18 -2.256 1.985 -10.438 117 HB3 LYS 18 2HB LYS 18 -3.647 1.578 -11.435 118 HG2 LYS 18 1HG LYS 18 -4.302 3.279 -9.904 119 HG3 LYS 18 2HG LYS 18 -5.076 1.773 -9.407 120 HD2 LYS 18 1HD LYS 18 -3.276 1.448 -7.738 121 HD3 LYS 18 2HD LYS 18 -2.606 3.015 -8.196 122 HE2 LYS 18 1HE LYS 18 -3.887 3.496 -6.312 123 HE3 LYS 18 2HE LYS 18 -4.942 3.939 -7.653 124 HZ1 LYS 18 3HZ LYS 18 -5.159 1.700 -5.780 125 HZ2 LYS 18 1HZ LYS 18 -5.728 1.472 -7.356 126 HZ3 LYS 18 2HZ LYS 18 -6.367 2.710 -6.398 127 H SER 19 H SER 19 -1.923 0.674 -12.230 128 HA SER 19 HA SER 19 -3.025 -1.121 -14.038 129 HB2 SER 19 1HB SER 19 -0.504 0.487 -13.979 130 HB3 SER 19 2HB SER 19 -0.707 -0.722 -15.246 131 HG SER 19 HG SER 19 -1.772 0.829 -16.193 132 H SER 20 H SER 20 -0.649 -1.635 -11.609 133 HA SER 20 HA SER 20 0.856 -3.729 -12.576 134 HB2 SER 20 1HB SER 20 1.239 -4.374 -10.282 135 HB3 SER 20 2HB SER 20 1.136 -2.614 -10.347 136 HG SER 20 HG SER 20 -0.106 -3.781 -8.645 137 H LYS 21 H LYS 21 0.680 -5.997 -12.471 138 HA LYS 21 HA LYS 21 -2.041 -6.955 -12.836 139 HB2 LYS 21 1HB LYS 21 0.611 -8.363 -13.198 140 HB3 LYS 21 2HB LYS 21 -0.960 -9.030 -13.622 141 HG2 LYS 21 1HG LYS 21 -1.111 -6.807 -15.049 142 HG3 LYS 21 2HG LYS 21 0.648 -6.942 -14.979 143 HD2 LYS 21 1HD LYS 21 0.211 -8.161 -16.873 144 HD3 LYS 21 2HD LYS 21 0.157 -9.437 -15.654 145 HE2 LYS 21 1HE LYS 21 -2.356 -7.978 -16.300 146 HE3 LYS 21 2HE LYS 21 -1.753 -9.164 -17.457 147 HZ1 LYS 21 3HZ LYS 21 -2.990 -9.571 -14.896 148 HZ2 LYS 21 1HZ LYS 21 -1.567 -10.465 -15.093 149 HZ3 LYS 21 2HZ LYS 21 -2.832 -10.635 -16.201 150 H LEU 22 H LEU 22 0.462 -7.029 -10.471 151 HA LEU 22 HA LEU 22 0.136 -9.319 -9.063 152 HB2 LEU 22 1HB LEU 22 0.149 -7.433 -7.049 153 HB3 LEU 22 2HB LEU 22 1.560 -8.152 -7.824 154 HG LEU 22 HG LEU 22 0.353 -5.729 -9.063 155 HD11 LEU 22 1HD1 LEU 22 2.199 -5.591 -6.688 156 HD12 LEU 22 2HD1 LEU 22 0.467 -5.264 -6.622 157 HD13 LEU 22 3HD1 LEU 22 1.521 -4.241 -7.599 158 HD21 LEU 22 3HD2 LEU 22 2.151 -6.127 -10.324 159 HD22 LEU 22 1HD2 LEU 22 2.838 -7.243 -9.143 160 HD23 LEU 22 2HD2 LEU 22 3.094 -5.506 -8.967 161 H VAL 23 H VAL 23 -1.686 -10.367 -8.609 162 HA VAL 23 HA VAL 23 -4.053 -8.842 -7.782 163 HB VAL 23 HB VAL 23 -4.382 -10.403 -9.641 164 HG11 VAL 23 1HG1 VAL 23 -4.343 -12.884 -9.045 165 HG12 VAL 23 2HG1 VAL 23 -2.788 -12.091 -9.305 166 HG13 VAL 23 3HG1 VAL 23 -3.351 -12.415 -7.665 167 HG21 VAL 23 3HG2 VAL 23 -5.755 -11.356 -7.130 168 HG22 VAL 23 1HG2 VAL 23 -6.220 -9.933 -8.063 169 HG23 VAL 23 2HG2 VAL 23 -6.340 -11.538 -8.783 170 H CYS 24 H CYS 24 -5.174 -9.319 -5.892 171 HA CYS 24 HA CYS 24 -3.717 -10.991 -3.950 172 HB2 CYS 24 1HB CYS 24 -3.409 -8.928 -2.996 173 HB3 CYS 24 2HB CYS 24 -4.870 -8.258 -3.714 174 H SER 25 H SER 25 -6.799 -10.019 -5.264 175 HA SER 25 HA SER 25 -8.413 -11.419 -3.376 176 HB2 SER 25 1HB SER 25 -9.217 -9.527 -4.815 177 HB3 SER 25 2HB SER 25 -9.150 -10.616 -6.200 178 HG SER 25 HG SER 25 -11.242 -10.521 -5.259 179 H ARG 26 H ARG 26 -7.583 -12.115 -6.776 180 HA ARG 26 HA ARG 26 -8.768 -14.553 -7.086 181 HB2 ARG 26 1HB ARG 26 -6.171 -13.473 -8.146 182 HB3 ARG 26 2HB ARG 26 -6.719 -15.088 -8.575 183 HG2 ARG 26 1HG ARG 26 -8.811 -14.100 -9.450 184 HG3 ARG 26 2HG ARG 26 -8.154 -12.498 -9.113 185 HD2 ARG 26 1HD ARG 26 -6.251 -13.008 -10.605 186 HD3 ARG 26 2HD ARG 26 -6.999 -14.558 -10.988 187 HE ARG 26 HE ARG 26 -7.751 -11.968 -11.995 188 HH11 ARG 26 1HH1 ARG 26 -8.798 -15.233 -11.389 189 HH12 ARG 26 2HH1 ARG 26 -10.052 -15.191 -12.584 190 HH21 ARG 26 1HH2 ARG 26 -9.399 -11.901 -13.571 191 HH22 ARG 26 2HH2 ARG 26 -10.392 -13.296 -13.825 192 H LYS 27 H LYS 27 -5.417 -14.074 -5.954 193 HA LYS 27 HA LYS 27 -5.368 -16.820 -4.969 194 HB2 LYS 27 1HB LYS 27 -3.120 -14.819 -4.817 195 HB3 LYS 27 2HB LYS 27 -3.016 -16.574 -4.761 196 HG2 LYS 27 1HG LYS 27 -3.908 -15.010 -7.173 197 HG3 LYS 27 2HG LYS 27 -2.257 -15.572 -6.901 198 HD2 LYS 27 1HD LYS 27 -4.694 -17.345 -7.056 199 HD3 LYS 27 2HD LYS 27 -3.546 -17.080 -8.370 200 HE2 LYS 27 1HE LYS 27 -1.761 -17.877 -6.716 201 HE3 LYS 27 2HE LYS 27 -3.107 -18.467 -5.742 202 HZ1 LYS 27 3HZ LYS 27 -2.048 -19.483 -8.245 203 HZ2 LYS 27 1HZ LYS 27 -3.735 -19.479 -8.119 204 HZ3 LYS 27 2HZ LYS 27 -2.803 -20.305 -6.975 205 H THR 28 H THR 28 -3.644 -16.632 -2.849 206 HA THR 28 HA THR 28 -5.300 -16.176 -0.684 207 HB THR 28 HB THR 28 -2.492 -15.676 -0.044 208 HG1 THR 28 HG1 THR 28 -3.156 -18.113 -1.366 209 HG21 THR 28 3HG2 THR 28 -4.748 -16.968 1.054 210 HG22 THR 28 1HG2 THR 28 -3.158 -16.756 1.786 211 HG23 THR 28 2HG2 THR 28 -3.507 -18.203 0.840 212 H ARG 29 H ARG 29 -4.598 -14.606 1.178 213 HA ARG 29 HA ARG 29 -5.367 -12.044 0.507 214 HB2 ARG 29 1HB ARG 29 -4.828 -11.410 2.705 215 HB3 ARG 29 2HB ARG 29 -5.200 -13.125 2.821 216 HG2 ARG 29 1HG ARG 29 -2.392 -12.102 2.535 217 HG3 ARG 29 2HG ARG 29 -3.180 -12.307 4.101 218 HD2 ARG 29 1HD ARG 29 -2.769 -14.471 2.040 219 HD3 ARG 29 2HD ARG 29 -1.806 -14.249 3.500 220 HE ARG 29 HE ARG 29 -4.636 -14.555 3.966 221 HH11 ARG 29 1HH1 ARG 29 -1.573 -16.171 3.611 222 HH12 ARG 29 2HH1 ARG 29 -2.067 -17.581 4.487 223 HH21 ARG 29 1HH2 ARG 29 -5.298 -16.407 5.122 224 HH22 ARG 29 2HH2 ARG 29 -4.187 -17.715 5.345 225 H ALA 30 H ALA 30 -2.299 -13.531 0.116 226 HA ALA 30 HA ALA 30 -0.731 -11.138 0.059 227 HB1 ALA 30 1HB ALA 30 0.758 -12.929 -1.327 228 HB2 ALA 30 2HB ALA 30 0.724 -12.808 0.433 229 HB3 ALA 30 3HB ALA 30 -0.279 -14.004 -0.388 230 H CYS 31 H CYS 31 -0.064 -9.927 -1.666 231 HA CYS 31 HA CYS 31 -1.556 -10.334 -4.158 232 HB2 CYS 31 1HB CYS 31 -1.342 -8.095 -2.681 233 HB3 CYS 31 2HB CYS 31 0.042 -7.868 -3.745 234 H LYS 32 H LYS 32 -0.547 -11.247 -5.807 235 HA LYS 32 HA LYS 32 2.239 -10.577 -6.353 236 HB2 LYS 32 1HB LYS 32 3.033 -12.783 -6.423 237 HB3 LYS 32 2HB LYS 32 2.077 -12.719 -4.949 238 HG2 LYS 32 1HG LYS 32 0.251 -13.504 -6.857 239 HG3 LYS 32 2HG LYS 32 1.730 -14.345 -7.326 240 HD2 LYS 32 1HD LYS 32 1.590 -14.609 -4.551 241 HD3 LYS 32 2HD LYS 32 -0.062 -14.861 -5.120 242 HE2 LYS 32 1HE LYS 32 1.143 -16.969 -5.041 243 HE3 LYS 32 2HE LYS 32 0.754 -16.544 -6.707 244 HZ1 LYS 32 3HZ LYS 32 3.351 -15.700 -5.664 245 HZ2 LYS 32 1HZ LYS 32 2.921 -16.195 -7.224 246 HZ3 LYS 32 2HZ LYS 32 3.145 -17.344 -6.004 247 H TYR 33 H TYR 33 2.857 -10.878 -8.523 248 HA TYR 33 HA TYR 33 0.797 -10.484 -10.415 249 HB2 TYR 33 1HB TYR 33 2.591 -10.582 -12.093 250 HB3 TYR 33 2HB TYR 33 3.044 -9.567 -10.728 251 HD1 TYR 33 HD2 TYR 33 3.649 -12.776 -12.418 252 HD2 TYR 33 HD1 TYR 33 4.858 -10.178 -9.272 253 HE1 TYR 33 HE2 TYR 33 5.708 -14.090 -12.132 254 HE2 TYR 33 HE1 TYR 33 6.921 -11.484 -8.979 255 HH TYR 33 HH TYR 33 7.634 -13.937 -9.479 256 H GLN 34 H GLN 34 -0.074 -11.819 -11.961 257 HA GLN 34 HA GLN 34 -0.458 -14.506 -11.346 258 HB2 GLN 34 1HB GLN 34 -1.007 -12.783 -13.701 259 HB3 GLN 34 2HB GLN 34 -1.058 -14.522 -13.957 260 HG2 GLN 34 1HG GLN 34 -3.233 -14.127 -13.421 261 HG3 GLN 34 2HG GLN 34 -2.578 -14.471 -11.821 262 HE21 GLN 34 2HE2 GLN 34 -4.915 -13.071 -12.130 263 HE22 GLN 34 1HE2 GLN 34 -4.674 -11.429 -11.648 264 H ILE 35 H ILE 35 1.230 -13.363 -14.270 265 HA ILE 35 HA ILE 35 3.058 -15.659 -13.987 266 HB ILE 35 HB ILE 35 2.140 -14.391 -16.570 267 HG12 ILE 35 1HG1 ILE 35 0.328 -15.647 -15.517 268 HG13 ILE 35 2HG1 ILE 35 0.924 -16.507 -16.932 269 HG21 ILE 35 1HG2 ILE 35 4.256 -15.227 -17.015 270 HG22 ILE 35 2HG2 ILE 35 4.060 -16.587 -15.910 271 HG23 ILE 35 3HG2 ILE 35 3.208 -16.576 -17.454 272 HD11 ILE 35 3HD1 ILE 35 0.479 -18.017 -15.078 273 HD12 ILE 35 1HD1 ILE 35 2.191 -18.006 -15.500 274 HD13 ILE 35 2HD1 ILE 35 1.628 -17.132 -14.075 Start of MODEL 13 1 H1 GLU 1 H GLU 1 0.423 0.179 0.325 2 HA GLU 1 HA GLU 1 2.532 0.854 -1.609 3 HB2 GLU 1 1HB GLU 1 2.506 -0.702 0.946 4 HB3 GLU 1 2HB GLU 1 3.716 -1.077 -0.273 5 HG2 GLU 1 1HG GLU 1 4.524 1.206 -0.213 6 HG3 GLU 1 2HG GLU 1 3.272 1.637 0.951 7 H CYS 2 H CYS 2 2.935 -0.421 -3.320 8 HA CYS 2 HA CYS 2 1.055 -2.479 -3.983 9 HB2 CYS 2 1HB CYS 2 3.599 -1.958 -5.498 10 HB3 CYS 2 2HB CYS 2 2.039 -2.495 -6.113 11 H LEU 3 H LEU 3 1.234 -4.616 -3.735 12 HA LEU 3 HA LEU 3 3.795 -5.670 -2.738 13 HB2 LEU 3 1HB LEU 3 1.341 -7.278 -2.435 14 HB3 LEU 3 2HB LEU 3 2.687 -7.043 -1.323 15 HG LEU 3 HG LEU 3 0.743 -4.818 -1.772 16 HD11 LEU 3 1HD1 LEU 3 -0.942 -5.749 -0.632 17 HD12 LEU 3 2HD1 LEU 3 0.140 -6.572 0.491 18 HD13 LEU 3 3HD1 LEU 3 -0.199 -7.282 -1.088 19 HD21 LEU 3 3HD2 LEU 3 1.734 -5.438 0.905 20 HD22 LEU 3 1HD2 LEU 3 1.727 -3.912 0.020 21 HD23 LEU 3 2HD2 LEU 3 3.011 -5.088 -0.262 22 H GLU 4 H GLU 4 4.707 -6.087 -4.763 23 HA GLU 4 HA GLU 4 3.292 -7.893 -6.565 24 HB2 GLU 4 1HB GLU 4 5.012 -7.415 -8.167 25 HB3 GLU 4 2HB GLU 4 4.509 -5.894 -7.442 26 HG2 GLU 4 1HG GLU 4 6.576 -5.458 -6.801 27 HG3 GLU 4 2HG GLU 4 6.679 -6.993 -5.941 28 H ILE 5 H ILE 5 5.653 -7.976 -4.098 29 HA ILE 5 HA ILE 5 7.007 -10.348 -4.983 30 HB ILE 5 HB ILE 5 8.180 -8.783 -3.547 31 HG12 ILE 5 1HG1 ILE 5 9.087 -10.348 -1.934 32 HG13 ILE 5 2HG1 ILE 5 7.635 -11.339 -2.024 33 HG21 ILE 5 1HG2 ILE 5 5.740 -8.765 -2.110 34 HG22 ILE 5 2HG2 ILE 5 7.007 -9.311 -1.013 35 HG23 ILE 5 3HG2 ILE 5 7.172 -7.769 -1.852 36 HD11 ILE 5 3HD1 ILE 5 9.476 -12.331 -3.260 37 HD12 ILE 5 1HD1 ILE 5 8.150 -11.894 -4.336 38 HD13 ILE 5 2HD1 ILE 5 9.595 -10.884 -4.260 39 H PHE 6 H PHE 6 4.066 -9.691 -3.396 40 HA PHE 6 HA PHE 6 2.443 -11.436 -3.185 41 HB2 PHE 6 1HB PHE 6 3.016 -13.642 -2.931 42 HB3 PHE 6 2HB PHE 6 4.495 -13.054 -3.683 43 HD1 PHE 6 HD2 PHE 6 5.600 -11.602 -1.264 44 HD2 PHE 6 HD1 PHE 6 3.892 -15.471 -1.736 45 HE1 PHE 6 HE2 PHE 6 6.899 -12.406 0.664 46 HE2 PHE 6 HE1 PHE 6 5.187 -16.282 0.192 47 HZ PHE 6 HZ PHE 6 6.694 -14.750 1.395 48 H LYS 7 H LYS 7 3.526 -9.301 -1.496 49 HA LYS 7 HA LYS 7 3.592 -10.234 1.205 50 HB2 LYS 7 1HB LYS 7 4.363 -7.928 -0.039 51 HB3 LYS 7 2HB LYS 7 2.881 -7.413 0.756 52 HG2 LYS 7 1HG LYS 7 4.418 -6.954 2.380 53 HG3 LYS 7 2HG LYS 7 3.948 -8.593 2.835 54 HD2 LYS 7 1HD LYS 7 5.899 -9.496 1.712 55 HD3 LYS 7 2HD LYS 7 6.348 -7.885 1.148 56 HE2 LYS 7 1HE LYS 7 6.231 -7.363 3.749 57 HE3 LYS 7 2HE LYS 7 6.570 -9.090 3.854 58 HZ1 LYS 7 3HZ LYS 7 8.617 -8.838 2.874 59 HZ2 LYS 7 1HZ LYS 7 8.509 -7.398 3.755 60 HZ3 LYS 7 2HZ LYS 7 8.205 -7.397 2.091 61 H ALA 8 H ALA 8 2.010 -10.183 2.762 62 HA ALA 8 HA ALA 8 -0.591 -10.758 2.122 63 HB1 ALA 8 1HB ALA 8 -1.158 -10.224 4.451 64 HB2 ALA 8 2HB ALA 8 0.332 -11.160 4.330 65 HB3 ALA 8 3HB ALA 8 0.403 -9.425 4.638 66 H CYS 9 H CYS 9 -2.051 -9.605 1.058 67 HA CYS 9 HA CYS 9 -1.948 -6.694 1.119 68 HB2 CYS 9 1HB CYS 9 -2.717 -6.831 -0.977 69 HB3 CYS 9 2HB CYS 9 -2.606 -8.584 -0.847 70 H ASN 10 H ASN 10 -3.687 -5.382 1.723 71 HA ASN 10 HA ASN 10 -5.416 -6.574 3.739 72 HB2 ASN 10 1HB ASN 10 -4.525 -3.804 3.073 73 HB3 ASN 10 2HB ASN 10 -6.050 -4.003 3.931 74 HD21 ASN 10 2HD2 ASN 10 -3.232 -3.022 4.609 75 HD22 ASN 10 1HD2 ASN 10 -2.883 -3.813 6.106 76 HA PRO 11 HA PRO 11 -9.055 -6.638 1.277 77 HB2 PRO 11 1HB PRO 11 -10.943 -6.246 3.188 78 HB3 PRO 11 2HB PRO 11 -10.050 -7.762 3.016 79 HG2 PRO 11 1HG PRO 11 -9.588 -5.496 4.918 80 HG3 PRO 11 2HG PRO 11 -9.545 -7.242 5.226 81 HD2 PRO 11 1HD PRO 11 -7.301 -5.768 4.878 82 HD3 PRO 11 2HD PRO 11 -7.415 -7.467 4.375 83 H SER 12 H SER 12 -8.943 -4.004 3.673 84 HA SER 12 HA SER 12 -10.526 -2.319 1.877 85 HB2 SER 12 1HB SER 12 -9.677 -1.915 4.754 86 HB3 SER 12 2HB SER 12 -10.640 -0.766 3.824 87 HG SER 12 HG SER 12 -11.337 -3.414 4.560 88 H ASN 13 H ASN 13 -7.503 -2.173 3.754 89 HA ASN 13 HA ASN 13 -6.604 0.257 2.626 90 HB2 ASN 13 1HB ASN 13 -5.416 -1.903 4.285 91 HB3 ASN 13 2HB ASN 13 -4.293 -0.870 3.406 92 HD21 ASN 13 2HD2 ASN 13 -4.095 -0.792 6.030 93 HD22 ASN 13 1HD2 ASN 13 -4.766 0.660 6.684 94 H ASP 14 H ASP 14 -6.783 0.155 0.389 95 HA ASP 14 HA ASP 14 -5.919 -1.861 -1.296 96 HB2 ASP 14 1HB ASP 14 -7.233 0.187 -1.943 97 HB3 ASP 14 2HB ASP 14 -5.722 1.091 -1.910 98 H GLN 15 H GLN 15 -3.987 -2.796 -1.328 99 HA GLN 15 HA GLN 15 -1.600 -1.149 -0.866 100 HB2 GLN 15 1HB GLN 15 -2.198 -4.064 -0.507 101 HB3 GLN 15 2HB GLN 15 -0.534 -3.530 -0.710 102 HG2 GLN 15 1HG GLN 15 -1.125 -1.865 1.199 103 HG3 GLN 15 2HG GLN 15 -2.433 -3.001 1.525 104 HE21 GLN 15 2HE2 GLN 15 0.883 -2.337 1.860 105 HE22 GLN 15 1HE2 GLN 15 1.342 -3.810 2.637 106 H CYS 16 H CYS 16 -2.417 -4.028 -2.814 107 HA CYS 16 HA CYS 16 -0.423 -4.024 -4.631 108 HB2 CYS 16 1HB CYS 16 -3.255 -4.345 -5.593 109 HB3 CYS 16 2HB CYS 16 -1.815 -5.225 -6.095 110 H CYS 17 H CYS 17 -0.017 -3.106 -6.673 111 HA CYS 17 HA CYS 17 -0.610 -0.328 -6.854 112 HB2 CYS 17 1HB CYS 17 1.120 -2.241 -8.201 113 HB3 CYS 17 2HB CYS 17 0.403 -1.096 -9.331 114 H LYS 18 H LYS 18 -1.126 0.367 -9.347 115 HA LYS 18 HA LYS 18 -3.851 -0.601 -9.761 116 HB2 LYS 18 1HB LYS 18 -2.362 1.886 -10.456 117 HB3 LYS 18 2HB LYS 18 -3.705 1.416 -11.489 118 HG2 LYS 18 1HG LYS 18 -4.446 2.972 -9.796 119 HG3 LYS 18 2HG LYS 18 -5.188 1.392 -9.537 120 HD2 LYS 18 1HD LYS 18 -3.595 0.896 -7.780 121 HD3 LYS 18 2HD LYS 18 -2.750 2.417 -8.081 122 HE2 LYS 18 1HE LYS 18 -5.633 2.211 -7.222 123 HE3 LYS 18 2HE LYS 18 -4.284 2.470 -6.117 124 HZ1 LYS 18 3HZ LYS 18 -5.702 4.401 -7.456 125 HZ2 LYS 18 1HZ LYS 18 -4.224 4.321 -8.276 126 HZ3 LYS 18 2HZ LYS 18 -4.252 4.618 -6.611 127 H SER 19 H SER 19 -1.527 0.645 -12.132 128 HA SER 19 HA SER 19 -2.421 -0.965 -14.229 129 HB2 SER 19 1HB SER 19 -0.983 1.129 -14.380 130 HB3 SER 19 2HB SER 19 0.395 0.103 -13.985 131 HG SER 19 HG SER 19 -1.181 0.169 -16.297 132 H SER 20 H SER 20 -0.246 -1.647 -11.632 133 HA SER 20 HA SER 20 1.251 -3.740 -12.722 134 HB2 SER 20 1HB SER 20 0.299 -3.476 -9.860 135 HB3 SER 20 2HB SER 20 1.669 -4.433 -10.422 136 HG SER 20 HG SER 20 1.650 -1.731 -11.088 137 H LYS 21 H LYS 21 1.017 -6.004 -12.597 138 HA LYS 21 HA LYS 21 -1.734 -6.888 -12.870 139 HB2 LYS 21 1HB LYS 21 0.754 -8.570 -13.148 140 HB3 LYS 21 2HB LYS 21 -0.844 -8.893 -13.808 141 HG2 LYS 21 1HG LYS 21 -0.562 -6.824 -15.211 142 HG3 LYS 21 2HG LYS 21 1.122 -6.795 -14.683 143 HD2 LYS 21 1HD LYS 21 1.399 -9.086 -15.583 144 HD3 LYS 21 2HD LYS 21 -0.258 -9.017 -16.190 145 HE2 LYS 21 1HE LYS 21 0.339 -7.083 -17.573 146 HE3 LYS 21 2HE LYS 21 1.994 -7.167 -16.972 147 HZ1 LYS 21 3HZ LYS 21 2.484 -8.847 -18.339 148 HZ2 LYS 21 1HZ LYS 21 1.106 -8.380 -19.203 149 HZ3 LYS 21 2HZ LYS 21 1.013 -9.641 -18.080 150 H LEU 22 H LEU 22 0.765 -6.939 -10.521 151 HA LEU 22 HA LEU 22 0.489 -9.180 -9.054 152 HB2 LEU 22 1HB LEU 22 0.350 -7.206 -7.104 153 HB3 LEU 22 2HB LEU 22 1.805 -7.943 -7.771 154 HG LEU 22 HG LEU 22 0.637 -5.614 -9.206 155 HD11 LEU 22 1HD1 LEU 22 2.249 -5.363 -6.671 156 HD12 LEU 22 2HD1 LEU 22 0.552 -4.924 -6.862 157 HD13 LEU 22 3HD1 LEU 22 1.796 -4.045 -7.752 158 HD21 LEU 22 3HD2 LEU 22 3.309 -5.254 -9.059 159 HD22 LEU 22 1HD2 LEU 22 2.506 -6.184 -10.325 160 HD23 LEU 22 2HD2 LEU 22 3.214 -7.012 -8.937 161 H VAL 23 H VAL 23 -1.319 -10.293 -8.683 162 HA VAL 23 HA VAL 23 -3.750 -8.857 -7.883 163 HB VAL 23 HB VAL 23 -3.995 -10.401 -9.768 164 HG11 VAL 23 1HG1 VAL 23 -3.795 -12.835 -9.390 165 HG12 VAL 23 2HG1 VAL 23 -2.252 -11.991 -9.248 166 HG13 VAL 23 3HG1 VAL 23 -3.113 -12.507 -7.798 167 HG21 VAL 23 3HG2 VAL 23 -5.392 -11.629 -7.410 168 HG22 VAL 23 1HG2 VAL 23 -5.801 -10.019 -8.003 169 HG23 VAL 23 2HG2 VAL 23 -5.986 -11.421 -9.057 170 H CYS 24 H CYS 24 -4.877 -9.373 -6.014 171 HA CYS 24 HA CYS 24 -3.414 -11.039 -4.072 172 HB2 CYS 24 1HB CYS 24 -3.178 -9.062 -2.987 173 HB3 CYS 24 2HB CYS 24 -4.509 -8.309 -3.860 174 H SER 25 H SER 25 -6.486 -10.140 -5.444 175 HA SER 25 HA SER 25 -8.099 -11.595 -3.590 176 HB2 SER 25 1HB SER 25 -8.526 -10.097 -6.102 177 HB3 SER 25 2HB SER 25 -9.676 -11.397 -5.794 178 HG SER 25 HG SER 25 -9.323 -8.994 -4.482 179 H ARG 26 H ARG 26 -7.210 -12.210 -6.990 180 HA ARG 26 HA ARG 26 -8.337 -14.653 -7.387 181 HB2 ARG 26 1HB ARG 26 -5.690 -13.562 -8.313 182 HB3 ARG 26 2HB ARG 26 -6.258 -15.147 -8.821 183 HG2 ARG 26 1HG ARG 26 -8.201 -14.172 -9.856 184 HG3 ARG 26 2HG ARG 26 -7.763 -12.575 -9.245 185 HD2 ARG 26 1HD ARG 26 -6.741 -12.289 -11.213 186 HD3 ARG 26 2HD ARG 26 -5.491 -13.352 -10.567 187 HE ARG 26 HE ARG 26 -7.487 -14.010 -12.564 188 HH11 ARG 26 1HH1 ARG 26 -5.073 -15.167 -10.339 189 HH12 ARG 26 2HH1 ARG 26 -4.861 -16.682 -11.153 190 HH21 ARG 26 1HH2 ARG 26 -7.218 -16.000 -13.644 191 HH22 ARG 26 2HH2 ARG 26 -6.081 -17.154 -13.034 192 H LYS 27 H LYS 27 -5.040 -14.171 -6.111 193 HA LYS 27 HA LYS 27 -5.038 -16.930 -5.146 194 HB2 LYS 27 1HB LYS 27 -2.786 -14.915 -5.092 195 HB3 LYS 27 2HB LYS 27 -2.661 -16.646 -4.806 196 HG2 LYS 27 1HG LYS 27 -3.635 -15.537 -7.417 197 HG3 LYS 27 2HG LYS 27 -1.919 -15.774 -7.076 198 HD2 LYS 27 1HD LYS 27 -2.553 -18.173 -6.466 199 HD3 LYS 27 2HD LYS 27 -4.099 -17.837 -7.249 200 HE2 LYS 27 1HE LYS 27 -2.544 -18.913 -8.791 201 HE3 LYS 27 2HE LYS 27 -2.934 -17.277 -9.320 202 HZ1 LYS 27 3HZ LYS 27 -0.465 -18.180 -9.222 203 HZ2 LYS 27 1HZ LYS 27 -0.574 -17.600 -7.637 204 HZ3 LYS 27 2HZ LYS 27 -0.839 -16.555 -8.939 205 H THR 28 H THR 28 -3.323 -16.749 -3.008 206 HA THR 28 HA THR 28 -4.977 -16.302 -0.854 207 HB THR 28 HB THR 28 -2.153 -15.719 -0.276 208 HG1 THR 28 HG1 THR 28 -2.818 -18.271 -1.345 209 HG21 THR 28 3HG2 THR 28 -4.403 -17.168 0.843 210 HG22 THR 28 1HG2 THR 28 -2.976 -16.513 1.645 211 HG23 THR 28 2HG2 THR 28 -2.916 -18.113 0.905 212 H ARG 29 H ARG 29 -4.457 -14.696 0.979 213 HA ARG 29 HA ARG 29 -5.248 -12.162 0.263 214 HB2 ARG 29 1HB ARG 29 -4.406 -11.436 2.490 215 HB3 ARG 29 2HB ARG 29 -5.381 -12.898 2.552 216 HG2 ARG 29 1HG ARG 29 -3.074 -14.104 2.410 217 HG3 ARG 29 2HG ARG 29 -2.454 -12.554 2.981 218 HD2 ARG 29 1HD ARG 29 -4.781 -13.758 4.390 219 HD3 ARG 29 2HD ARG 29 -3.185 -14.457 4.659 220 HE ARG 29 HE ARG 29 -2.973 -11.694 4.967 221 HH11 ARG 29 1HH1 ARG 29 -4.522 -14.401 6.513 222 HH12 ARG 29 2HH1 ARG 29 -4.499 -13.682 8.089 223 HH21 ARG 29 1HH2 ARG 29 -2.936 -10.736 7.037 224 HH22 ARG 29 2HH2 ARG 29 -3.597 -11.597 8.386 225 H ALA 30 H ALA 30 -2.107 -13.557 0.053 226 HA ALA 30 HA ALA 30 -0.605 -11.134 0.027 227 HB1 ALA 30 1HB ALA 30 0.978 -12.870 -1.313 228 HB2 ALA 30 2HB ALA 30 0.864 -12.785 0.446 229 HB3 ALA 30 3HB ALA 30 -0.073 -13.987 -0.442 230 H CYS 31 H CYS 31 0.066 -9.881 -1.659 231 HA CYS 31 HA CYS 31 -1.316 -10.317 -4.208 232 HB2 CYS 31 1HB CYS 31 -1.188 -8.078 -2.684 233 HB3 CYS 31 2HB CYS 31 0.168 -7.798 -3.771 234 H LYS 32 H LYS 32 -0.217 -11.165 -5.834 235 HA LYS 32 HA LYS 32 2.569 -10.404 -6.253 236 HB2 LYS 32 1HB LYS 32 3.405 -12.608 -6.385 237 HB3 LYS 32 2HB LYS 32 2.451 -12.564 -4.908 238 HG2 LYS 32 1HG LYS 32 0.671 -13.350 -6.907 239 HG3 LYS 32 2HG LYS 32 2.162 -14.238 -7.226 240 HD2 LYS 32 1HD LYS 32 1.114 -14.097 -4.434 241 HD3 LYS 32 2HD LYS 32 0.358 -15.202 -5.584 242 HE2 LYS 32 1HE LYS 32 2.794 -15.954 -6.068 243 HE3 LYS 32 2HE LYS 32 3.156 -15.194 -4.519 244 HZ1 LYS 32 3HZ LYS 32 1.829 -17.679 -5.069 245 HZ2 LYS 32 1HZ LYS 32 0.973 -16.707 -3.980 246 HZ3 LYS 32 2HZ LYS 32 2.573 -17.143 -3.647 247 H TYR 33 H TYR 33 3.287 -10.647 -8.402 248 HA TYR 33 HA TYR 33 1.560 -10.006 -10.411 249 HB2 TYR 33 1HB TYR 33 4.282 -11.135 -10.301 250 HB3 TYR 33 2HB TYR 33 3.433 -11.392 -11.822 251 HD1 TYR 33 HD2 TYR 33 2.559 -9.391 -13.078 252 HD2 TYR 33 HD1 TYR 33 5.190 -9.024 -9.754 253 HE1 TYR 33 HE2 TYR 33 3.124 -7.104 -13.784 254 HE2 TYR 33 HE1 TYR 33 5.762 -6.736 -10.451 255 HH TYR 33 HH TYR 33 5.719 -5.328 -12.361 256 H GLN 34 H GLN 34 -0.219 -11.036 -11.027 257 HA GLN 34 HA GLN 34 -0.842 -13.703 -10.616 258 HB2 GLN 34 1HB GLN 34 -2.707 -13.378 -12.052 259 HB3 GLN 34 2HB GLN 34 -2.422 -11.838 -11.253 260 HG2 GLN 34 1HG GLN 34 -1.036 -11.282 -13.369 261 HG3 GLN 34 2HG GLN 34 -1.940 -12.610 -14.095 262 HE21 GLN 34 2HE2 GLN 34 -3.011 -11.267 -15.525 263 HE22 GLN 34 1HE2 GLN 34 -4.253 -10.176 -15.023 264 H ILE 35 H ILE 35 -1.459 -15.197 -12.568 265 HA ILE 35 HA ILE 35 0.812 -15.289 -14.441 266 HB ILE 35 HB ILE 35 0.719 -17.783 -14.277 267 HG12 ILE 35 1HG1 ILE 35 -0.720 -17.426 -11.668 268 HG13 ILE 35 2HG1 ILE 35 -1.635 -17.620 -13.159 269 HG21 ILE 35 1HG2 ILE 35 2.199 -17.881 -12.487 270 HG22 ILE 35 2HG2 ILE 35 2.294 -16.196 -12.996 271 HG23 ILE 35 3HG2 ILE 35 1.339 -16.637 -11.581 272 HD11 ILE 35 3HD1 ILE 35 -0.435 -19.608 -11.527 273 HD12 ILE 35 1HD1 ILE 35 -1.418 -19.808 -12.977 274 HD13 ILE 35 2HD1 ILE 35 0.333 -19.641 -13.115 Start of MODEL 14 1 H1 GLU 1 H GLU 1 2.665 -0.608 1.009 2 HA GLU 1 HA GLU 1 2.353 0.810 -1.511 3 HB2 GLU 1 1HB GLU 1 4.497 0.690 -0.046 4 HB3 GLU 1 2HB GLU 1 4.720 -0.889 -0.786 5 HG2 GLU 1 1HG GLU 1 5.051 -0.000 -2.897 6 HG3 GLU 1 2HG GLU 1 4.262 1.522 -2.489 7 H CYS 2 H CYS 2 2.925 -0.290 -3.553 8 HA CYS 2 HA CYS 2 1.260 -2.417 -4.121 9 HB2 CYS 2 1HB CYS 2 3.818 -1.944 -5.639 10 HB3 CYS 2 2HB CYS 2 2.267 -2.504 -6.256 11 H LEU 3 H LEU 3 1.338 -4.546 -3.813 12 HA LEU 3 HA LEU 3 3.872 -5.714 -2.876 13 HB2 LEU 3 1HB LEU 3 1.348 -7.200 -2.512 14 HB3 LEU 3 2HB LEU 3 2.731 -7.030 -1.432 15 HG LEU 3 HG LEU 3 0.934 -4.686 -1.835 16 HD11 LEU 3 1HD1 LEU 3 -0.850 -5.559 -0.836 17 HD12 LEU 3 2HD1 LEU 3 0.132 -6.329 0.410 18 HD13 LEU 3 3HD1 LEU 3 -0.133 -7.143 -1.131 19 HD21 LEU 3 3HD2 LEU 3 2.050 -5.612 0.763 20 HD22 LEU 3 1HD2 LEU 3 1.784 -3.975 0.165 21 HD23 LEU 3 2HD2 LEU 3 3.150 -4.919 -0.430 22 H GLU 4 H GLU 4 4.718 -6.180 -4.921 23 HA GLU 4 HA GLU 4 3.186 -7.941 -6.672 24 HB2 GLU 4 1HB GLU 4 4.806 -7.495 -8.344 25 HB3 GLU 4 2HB GLU 4 4.505 -5.962 -7.539 26 HG2 GLU 4 1HG GLU 4 6.545 -6.336 -6.180 27 HG3 GLU 4 2HG GLU 4 6.866 -7.782 -7.136 28 H ILE 5 H ILE 5 5.611 -8.092 -4.271 29 HA ILE 5 HA ILE 5 6.846 -10.525 -5.172 30 HB ILE 5 HB ILE 5 8.125 -8.989 -3.795 31 HG12 ILE 5 1HG1 ILE 5 9.026 -10.571 -2.196 32 HG13 ILE 5 2HG1 ILE 5 7.536 -11.507 -2.226 33 HG21 ILE 5 1HG2 ILE 5 6.480 -7.942 -2.461 34 HG22 ILE 5 2HG2 ILE 5 5.958 -9.478 -1.770 35 HG23 ILE 5 3HG2 ILE 5 7.533 -8.810 -1.344 36 HD11 ILE 5 3HD1 ILE 5 9.292 -12.583 -3.512 37 HD12 ILE 5 1HD1 ILE 5 7.950 -12.102 -4.549 38 HD13 ILE 5 2HD1 ILE 5 9.435 -11.151 -4.531 39 H PHE 6 H PHE 6 3.989 -9.731 -3.491 40 HA PHE 6 HA PHE 6 2.305 -11.407 -3.204 41 HB2 PHE 6 1HB PHE 6 2.797 -13.629 -2.966 42 HB3 PHE 6 2HB PHE 6 4.288 -13.108 -3.746 43 HD1 PHE 6 HD2 PHE 6 5.564 -11.725 -1.413 44 HD2 PHE 6 HD1 PHE 6 3.545 -15.460 -1.718 45 HE1 PHE 6 HE2 PHE 6 6.860 -12.578 0.496 46 HE2 PHE 6 HE1 PHE 6 4.837 -16.318 0.192 47 HZ PHE 6 HZ PHE 6 6.498 -14.877 1.301 48 H LYS 7 H LYS 7 3.478 -9.292 -1.586 49 HA LYS 7 HA LYS 7 3.625 -10.202 1.125 50 HB2 LYS 7 1HB LYS 7 4.478 -7.963 -0.139 51 HB3 LYS 7 2HB LYS 7 3.005 -7.357 0.606 52 HG2 LYS 7 1HG LYS 7 4.524 -6.907 2.248 53 HG3 LYS 7 2HG LYS 7 3.983 -8.511 2.747 54 HD2 LYS 7 1HD LYS 7 5.919 -9.527 1.717 55 HD3 LYS 7 2HD LYS 7 6.433 -7.967 1.070 56 HE2 LYS 7 1HE LYS 7 7.759 -8.129 2.941 57 HE3 LYS 7 2HE LYS 7 6.376 -7.244 3.583 58 HZ1 LYS 7 3HZ LYS 7 6.946 -10.139 3.879 59 HZ2 LYS 7 1HZ LYS 7 5.476 -9.427 4.319 60 HZ3 LYS 7 2HZ LYS 7 6.904 -8.970 5.101 61 H ALA 8 H ALA 8 2.089 -10.158 2.707 62 HA ALA 8 HA ALA 8 -0.541 -10.628 2.179 63 HB1 ALA 8 1HB ALA 8 0.955 -9.751 4.558 64 HB2 ALA 8 2HB ALA 8 -0.786 -9.468 4.603 65 HB3 ALA 8 3HB ALA 8 -0.164 -11.098 4.349 66 H CYS 9 H CYS 9 -1.980 -9.451 1.109 67 HA CYS 9 HA CYS 9 -1.803 -6.544 1.123 68 HB2 CYS 9 1HB CYS 9 -2.593 -6.719 -0.960 69 HB3 CYS 9 2HB CYS 9 -2.597 -8.470 -0.776 70 H ASN 10 H ASN 10 -3.445 -5.172 1.802 71 HA ASN 10 HA ASN 10 -4.989 -6.103 4.013 72 HB2 ASN 10 1HB ASN 10 -4.605 -3.480 2.631 73 HB3 ASN 10 2HB ASN 10 -5.983 -3.670 3.711 74 HD21 ASN 10 2HD2 ASN 10 -4.536 -1.838 4.620 75 HD22 ASN 10 1HD2 ASN 10 -3.439 -2.327 5.862 76 HA PRO 11 HA PRO 11 -8.756 -7.224 2.049 77 HB2 PRO 11 1HB PRO 11 -10.527 -6.635 4.021 78 HB3 PRO 11 2HB PRO 11 -9.430 -8.019 4.096 79 HG2 PRO 11 1HG PRO 11 -9.170 -5.325 5.375 80 HG3 PRO 11 2HG PRO 11 -8.839 -6.926 6.062 81 HD2 PRO 11 1HD PRO 11 -6.878 -5.301 5.143 82 HD3 PRO 11 2HD PRO 11 -6.773 -7.071 5.051 83 H SER 12 H SER 12 -8.997 -4.147 3.842 84 HA SER 12 HA SER 12 -10.914 -3.149 1.883 85 HB2 SER 12 1HB SER 12 -9.994 -2.231 4.589 86 HB3 SER 12 2HB SER 12 -10.802 -1.098 3.506 87 HG SER 12 HG SER 12 -12.003 -2.677 5.095 88 H ASN 13 H ASN 13 -8.223 -1.498 3.519 89 HA ASN 13 HA ASN 13 -7.724 0.151 1.236 90 HB2 ASN 13 1HB ASN 13 -7.352 0.674 3.762 91 HB3 ASN 13 2HB ASN 13 -5.805 -0.135 3.528 92 HD21 ASN 13 2HD2 ASN 13 -4.182 1.119 2.989 93 HD22 ASN 13 1HD2 ASN 13 -4.295 2.653 2.202 94 H ASP 14 H ASP 14 -7.379 -1.670 -0.269 95 HA ASP 14 HA ASP 14 -5.339 -3.515 -0.173 96 HB2 ASP 14 1HB ASP 14 -7.162 -3.170 -1.963 97 HB3 ASP 14 2HB ASP 14 -6.020 -2.064 -2.721 98 H GLN 15 H GLN 15 -3.252 -3.558 -1.272 99 HA GLN 15 HA GLN 15 -1.906 -0.940 -1.151 100 HB2 GLN 15 1HB GLN 15 -0.544 -3.596 -0.749 101 HB3 GLN 15 2HB GLN 15 0.056 -1.993 -0.342 102 HG2 GLN 15 1HG GLN 15 -1.615 -1.798 1.414 103 HG3 GLN 15 2HG GLN 15 -2.253 -3.387 0.995 104 HE21 GLN 15 2HE2 GLN 15 -1.675 -4.847 2.419 105 HE22 GLN 15 1HE2 GLN 15 -0.142 -4.960 3.207 106 H CYS 16 H CYS 16 -2.364 -3.893 -2.948 107 HA CYS 16 HA CYS 16 -0.375 -3.958 -4.776 108 HB2 CYS 16 1HB CYS 16 -3.219 -4.131 -5.734 109 HB3 CYS 16 2HB CYS 16 -1.825 -5.080 -6.241 110 H CYS 17 H CYS 17 0.063 -3.025 -6.803 111 HA CYS 17 HA CYS 17 -0.373 -0.224 -6.937 112 HB2 CYS 17 1HB CYS 17 1.198 -2.214 -8.354 113 HB3 CYS 17 2HB CYS 17 0.511 -1.027 -9.458 114 H LYS 18 H LYS 18 -0.893 0.512 -9.439 115 HA LYS 18 HA LYS 18 -3.710 -0.165 -9.732 116 HB2 LYS 18 1HB LYS 18 -1.958 2.078 -10.585 117 HB3 LYS 18 2HB LYS 18 -3.339 1.710 -11.611 118 HG2 LYS 18 1HG LYS 18 -3.957 3.416 -10.049 119 HG3 LYS 18 2HG LYS 18 -4.812 1.928 -9.634 120 HD2 LYS 18 1HD LYS 18 -3.390 1.510 -7.794 121 HD3 LYS 18 2HD LYS 18 -2.219 2.718 -8.328 122 HE2 LYS 18 1HE LYS 18 -3.783 4.498 -7.850 123 HE3 LYS 18 2HE LYS 18 -5.036 3.328 -7.439 124 HZ1 LYS 18 3HZ LYS 18 -3.171 2.561 -5.753 125 HZ2 LYS 18 1HZ LYS 18 -4.273 3.787 -5.373 126 HZ3 LYS 18 2HZ LYS 18 -2.714 4.183 -5.893 127 H SER 19 H SER 19 -1.505 0.723 -12.338 128 HA SER 19 HA SER 19 -2.654 -1.016 -14.204 129 HB2 SER 19 1HB SER 19 -0.083 0.523 -14.095 130 HB3 SER 19 2HB SER 19 -0.349 -0.632 -15.400 131 HG SER 19 HG SER 19 -1.099 1.367 -16.057 132 H SER 20 H SER 20 -0.388 -1.606 -11.708 133 HA SER 20 HA SER 20 1.102 -3.727 -12.704 134 HB2 SER 20 1HB SER 20 1.563 -4.314 -10.432 135 HB3 SER 20 2HB SER 20 1.392 -2.559 -10.474 136 HG SER 20 HG SER 20 -0.958 -3.190 -9.962 137 H LYS 21 H LYS 21 0.869 -5.988 -12.565 138 HA LYS 21 HA LYS 21 -1.877 -6.882 -12.885 139 HB2 LYS 21 1HB LYS 21 0.024 -7.534 -14.438 140 HB3 LYS 21 2HB LYS 21 0.630 -8.544 -13.131 141 HG2 LYS 21 1HG LYS 21 -0.577 -10.049 -14.379 142 HG3 LYS 21 2HG LYS 21 -1.758 -9.563 -13.160 143 HD2 LYS 21 1HD LYS 21 -3.007 -9.396 -15.087 144 HD3 LYS 21 2HD LYS 21 -2.398 -7.747 -14.932 145 HE2 LYS 21 1HE LYS 21 -0.781 -9.715 -16.470 146 HE3 LYS 21 2HE LYS 21 -2.248 -9.079 -17.212 147 HZ1 LYS 21 3HZ LYS 21 0.263 -7.850 -16.983 148 HZ2 LYS 21 1HZ LYS 21 -0.854 -6.932 -16.105 149 HZ3 LYS 21 2HZ LYS 21 -1.130 -7.261 -17.741 150 H LEU 22 H LEU 22 0.631 -6.967 -10.527 151 HA LEU 22 HA LEU 22 0.299 -9.202 -9.061 152 HB2 LEU 22 1HB LEU 22 0.226 -7.229 -7.108 153 HB3 LEU 22 2HB LEU 22 1.657 -8.004 -7.784 154 HG LEU 22 HG LEU 22 0.538 -5.634 -9.197 155 HD11 LEU 22 1HD1 LEU 22 2.173 -5.475 -6.669 156 HD12 LEU 22 2HD1 LEU 22 0.511 -4.922 -6.876 157 HD13 LEU 22 3HD1 LEU 22 1.820 -4.128 -7.751 158 HD21 LEU 22 3HD2 LEU 22 2.383 -6.113 -10.356 159 HD22 LEU 22 1HD2 LEU 22 3.000 -7.181 -9.095 160 HD23 LEU 22 2HD2 LEU 22 3.277 -5.443 -8.991 161 H VAL 23 H VAL 23 -1.502 -10.275 -8.592 162 HA VAL 23 HA VAL 23 -3.917 -8.778 -7.858 163 HB VAL 23 HB VAL 23 -4.190 -10.401 -9.664 164 HG11 VAL 23 1HG1 VAL 23 -4.072 -12.860 -9.020 165 HG12 VAL 23 2HG1 VAL 23 -2.536 -12.024 -9.254 166 HG13 VAL 23 3HG1 VAL 23 -3.132 -12.337 -7.623 167 HG21 VAL 23 3HG2 VAL 23 -5.561 -11.437 -7.190 168 HG22 VAL 23 1HG2 VAL 23 -6.015 -9.937 -8.000 169 HG23 VAL 23 2HG2 VAL 23 -6.152 -11.475 -8.851 170 H CYS 24 H CYS 24 -5.058 -9.211 -5.971 171 HA CYS 24 HA CYS 24 -3.600 -10.783 -3.948 172 HB2 CYS 24 1HB CYS 24 -3.356 -8.696 -3.042 173 HB3 CYS 24 2HB CYS 24 -4.797 -8.067 -3.834 174 H SER 25 H SER 25 -6.688 -9.905 -5.324 175 HA SER 25 HA SER 25 -8.287 -11.307 -3.421 176 HB2 SER 25 1HB SER 25 -9.317 -9.538 -4.680 177 HB3 SER 25 2HB SER 25 -8.874 -10.295 -6.210 178 HG SER 25 HG SER 25 -10.428 -11.768 -5.957 179 H ARG 26 H ARG 26 -7.575 -12.014 -6.848 180 HA ARG 26 HA ARG 26 -8.666 -14.506 -7.055 181 HB2 ARG 26 1HB ARG 26 -6.115 -13.441 -8.266 182 HB3 ARG 26 2HB ARG 26 -6.818 -14.987 -8.722 183 HG2 ARG 26 1HG ARG 26 -8.878 -13.811 -9.403 184 HG3 ARG 26 2HG ARG 26 -8.091 -12.276 -9.028 185 HD2 ARG 26 1HD ARG 26 -6.673 -12.408 -10.824 186 HD3 ARG 26 2HD ARG 26 -6.711 -14.171 -10.861 187 HE ARG 26 HE ARG 26 -8.439 -14.038 -12.339 188 HH11 ARG 26 1HH1 ARG 26 -8.248 -11.034 -10.590 189 HH12 ARG 26 2HH1 ARG 26 -9.490 -10.263 -11.519 190 HH21 ARG 26 1HH2 ARG 26 -10.076 -13.034 -13.570 191 HH22 ARG 26 2HH2 ARG 26 -10.530 -11.401 -13.213 192 H LYS 27 H LYS 27 -5.340 -13.792 -5.996 193 HA LYS 27 HA LYS 27 -5.040 -16.550 -5.084 194 HB2 LYS 27 1HB LYS 27 -3.184 -14.301 -5.677 195 HB3 LYS 27 2HB LYS 27 -2.677 -15.469 -4.464 196 HG2 LYS 27 1HG LYS 27 -1.772 -16.231 -6.486 197 HG3 LYS 27 2HG LYS 27 -3.175 -17.261 -6.188 198 HD2 LYS 27 1HD LYS 27 -4.502 -15.829 -7.704 199 HD3 LYS 27 2HD LYS 27 -3.050 -14.884 -8.045 200 HE2 LYS 27 1HE LYS 27 -3.389 -16.487 -9.812 201 HE3 LYS 27 2HE LYS 27 -1.960 -16.940 -8.885 202 HZ1 LYS 27 3HZ LYS 27 -3.211 -18.621 -7.759 203 HZ2 LYS 27 1HZ LYS 27 -3.430 -18.828 -9.424 204 HZ3 LYS 27 2HZ LYS 27 -4.653 -18.126 -8.491 205 H THR 28 H THR 28 -3.392 -16.389 -2.974 206 HA THR 28 HA THR 28 -5.021 -16.055 -0.788 207 HB THR 28 HB THR 28 -2.204 -15.407 -0.236 208 HG1 THR 28 HG1 THR 28 -2.800 -17.967 -1.313 209 HG21 THR 28 3HG2 THR 28 -2.612 -17.633 1.096 210 HG22 THR 28 1HG2 THR 28 -4.304 -17.294 0.736 211 HG23 THR 28 2HG2 THR 28 -3.342 -16.122 1.637 212 H ARG 29 H ARG 29 -4.532 -14.496 1.092 213 HA ARG 29 HA ARG 29 -5.408 -11.966 0.475 214 HB2 ARG 29 1HB ARG 29 -3.947 -13.115 2.814 215 HB3 ARG 29 2HB ARG 29 -4.167 -11.372 2.730 216 HG2 ARG 29 1HG ARG 29 -6.011 -11.987 3.932 217 HG3 ARG 29 2HG ARG 29 -6.665 -12.009 2.293 218 HD2 ARG 29 1HD ARG 29 -7.400 -14.003 3.344 219 HD3 ARG 29 2HD ARG 29 -6.117 -14.464 2.226 220 HE ARG 29 HE ARG 29 -4.886 -14.053 4.655 221 HH11 ARG 29 1HH1 ARG 29 -7.386 -16.126 3.401 222 HH12 ARG 29 2HH1 ARG 29 -7.049 -17.419 4.504 223 HH21 ARG 29 1HH2 ARG 29 -4.431 -15.749 6.112 224 HH22 ARG 29 2HH2 ARG 29 -5.368 -17.203 6.046 225 H ALA 30 H ALA 30 -2.222 -13.250 0.186 226 HA ALA 30 HA ALA 30 -0.853 -10.729 0.155 227 HB1 ALA 30 1HB ALA 30 0.767 -12.569 -1.150 228 HB2 ALA 30 2HB ALA 30 0.814 -12.145 0.562 229 HB3 ALA 30 3HB ALA 30 -0.139 -13.527 0.021 230 H CYS 31 H CYS 31 -0.047 -9.606 -1.612 231 HA CYS 31 HA CYS 31 -1.454 -10.132 -4.130 232 HB2 CYS 31 1HB CYS 31 -1.274 -7.824 -2.739 233 HB3 CYS 31 2HB CYS 31 0.117 -7.642 -3.803 234 H LYS 32 H LYS 32 -0.397 -11.050 -5.747 235 HA LYS 32 HA LYS 32 2.423 -10.434 -6.178 236 HB2 LYS 32 1HB LYS 32 3.201 -12.619 -6.121 237 HB3 LYS 32 2HB LYS 32 2.069 -12.598 -4.775 238 HG2 LYS 32 1HG LYS 32 0.397 -13.396 -6.682 239 HG3 LYS 32 2HG LYS 32 1.904 -13.999 -7.375 240 HD2 LYS 32 1HD LYS 32 1.467 -14.540 -4.502 241 HD3 LYS 32 2HD LYS 32 0.416 -15.398 -5.631 242 HE2 LYS 32 1HE LYS 32 3.426 -15.348 -5.796 243 HE3 LYS 32 2HE LYS 32 2.491 -16.636 -5.039 244 HZ1 LYS 32 3HZ LYS 32 3.220 -16.529 -7.653 245 HZ2 LYS 32 1HZ LYS 32 1.605 -16.025 -7.696 246 HZ3 LYS 32 2HZ LYS 32 2.007 -17.518 -7.010 247 H TYR 33 H TYR 33 3.131 -10.767 -8.317 248 HA TYR 33 HA TYR 33 1.373 -10.150 -10.337 249 HB2 TYR 33 1HB TYR 33 3.951 -10.154 -10.340 250 HB3 TYR 33 2HB TYR 33 3.815 -11.831 -10.856 251 HD1 TYR 33 HD2 TYR 33 2.523 -12.321 -12.996 252 HD2 TYR 33 HD1 TYR 33 3.760 -8.403 -11.890 253 HE1 TYR 33 HE2 TYR 33 2.259 -11.586 -15.328 254 HE2 TYR 33 HE1 TYR 33 3.499 -7.657 -14.219 255 HH TYR 33 HH TYR 33 2.494 -9.916 -16.770 256 H GLN 34 H GLN 34 0.152 -11.258 -11.803 257 HA GLN 34 HA GLN 34 -0.406 -14.048 -11.149 258 HB2 GLN 34 1HB GLN 34 -2.188 -12.192 -11.438 259 HB3 GLN 34 2HB GLN 34 -1.916 -12.407 -13.163 260 HG2 GLN 34 1HG GLN 34 -2.332 -14.926 -12.617 261 HG3 GLN 34 2HG GLN 34 -3.130 -14.275 -11.187 262 HE21 GLN 34 2HE2 GLN 34 -4.173 -15.702 -13.564 263 HE22 GLN 34 1HE2 GLN 34 -5.414 -14.681 -14.198 264 H ILE 35 H ILE 35 0.509 -15.623 -12.271 265 HA ILE 35 HA ILE 35 1.826 -15.064 -14.788 266 HB ILE 35 HB ILE 35 1.598 -17.686 -13.306 267 HG12 ILE 35 1HG1 ILE 35 4.138 -16.946 -12.902 268 HG13 ILE 35 2HG1 ILE 35 3.416 -15.346 -13.024 269 HG21 ILE 35 1HG2 ILE 35 3.931 -17.676 -14.781 270 HG22 ILE 35 2HG2 ILE 35 2.440 -18.522 -15.192 271 HG23 ILE 35 3HG2 ILE 35 2.755 -16.918 -15.855 272 HD11 ILE 35 3HD1 ILE 35 2.233 -17.396 -11.206 273 HD12 ILE 35 1HD1 ILE 35 3.648 -16.466 -10.713 274 HD13 ILE 35 2HD1 ILE 35 2.145 -15.637 -11.121 Start of MODEL 15 1 H1 GLU 1 H GLU 1 1.097 0.734 0.536 2 HA GLU 1 HA GLU 1 2.696 0.834 -1.745 3 HB2 GLU 1 1HB GLU 1 2.920 -1.142 0.532 4 HB3 GLU 1 2HB GLU 1 4.202 -0.679 -0.579 5 HG2 GLU 1 1HG GLU 1 4.156 1.592 0.290 6 HG3 GLU 1 2HG GLU 1 2.844 1.156 1.383 7 H CYS 2 H CYS 2 3.096 -0.531 -3.415 8 HA CYS 2 HA CYS 2 1.104 -2.520 -4.000 9 HB2 CYS 2 1HB CYS 2 3.592 -2.134 -5.630 10 HB3 CYS 2 2HB CYS 2 1.969 -2.554 -6.165 11 H LEU 3 H LEU 3 1.234 -4.661 -3.741 12 HA LEU 3 HA LEU 3 3.799 -5.775 -2.821 13 HB2 LEU 3 1HB LEU 3 1.325 -7.324 -2.420 14 HB3 LEU 3 2HB LEU 3 2.705 -7.092 -1.349 15 HG LEU 3 HG LEU 3 0.784 -4.845 -1.782 16 HD11 LEU 3 1HD1 LEU 3 -0.755 -5.629 -0.229 17 HD12 LEU 3 2HD1 LEU 3 0.334 -6.884 0.364 18 HD13 LEU 3 3HD1 LEU 3 -0.421 -7.049 -1.221 19 HD21 LEU 3 3HD2 LEU 3 1.823 -5.419 0.880 20 HD22 LEU 3 1HD2 LEU 3 1.848 -3.920 -0.050 21 HD23 LEU 3 2HD2 LEU 3 3.088 -5.145 -0.319 22 H GLU 4 H GLU 4 4.630 -6.233 -4.873 23 HA GLU 4 HA GLU 4 3.108 -8.017 -6.608 24 HB2 GLU 4 1HB GLU 4 4.698 -7.546 -8.295 25 HB3 GLU 4 2HB GLU 4 4.406 -6.018 -7.477 26 HG2 GLU 4 1HG GLU 4 6.479 -6.684 -6.062 27 HG3 GLU 4 2HG GLU 4 6.818 -7.769 -7.409 28 H ILE 5 H ILE 5 5.551 -8.138 -4.223 29 HA ILE 5 HA ILE 5 6.819 -10.548 -5.131 30 HB ILE 5 HB ILE 5 8.071 -9.004 -3.741 31 HG12 ILE 5 1HG1 ILE 5 8.986 -10.579 -2.143 32 HG13 ILE 5 2HG1 ILE 5 7.508 -11.534 -2.181 33 HG21 ILE 5 1HG2 ILE 5 6.375 -7.997 -2.420 34 HG22 ILE 5 2HG2 ILE 5 5.923 -9.544 -1.705 35 HG23 ILE 5 3HG2 ILE 5 7.475 -8.809 -1.306 36 HD11 ILE 5 3HD1 ILE 5 9.293 -12.578 -3.463 37 HD12 ILE 5 1HD1 ILE 5 7.939 -12.125 -4.498 38 HD13 ILE 5 2HD1 ILE 5 9.405 -11.144 -4.484 39 H PHE 6 H PHE 6 3.942 -9.813 -3.459 40 HA PHE 6 HA PHE 6 2.286 -11.517 -3.187 41 HB2 PHE 6 1HB PHE 6 2.814 -13.733 -2.957 42 HB3 PHE 6 2HB PHE 6 4.296 -13.183 -3.732 43 HD1 PHE 6 HD2 PHE 6 5.534 -11.785 -1.380 44 HD2 PHE 6 HD1 PHE 6 3.604 -15.563 -1.729 45 HE1 PHE 6 HE2 PHE 6 6.842 -12.625 0.527 46 HE2 PHE 6 HE1 PHE 6 4.909 -16.409 0.179 47 HZ PHE 6 HZ PHE 6 6.531 -14.940 1.308 48 H LYS 7 H LYS 7 3.420 -9.393 -1.552 49 HA LYS 7 HA LYS 7 3.567 -10.318 1.155 50 HB2 LYS 7 1HB LYS 7 4.217 -7.964 -0.197 51 HB3 LYS 7 2HB LYS 7 2.904 -7.506 0.879 52 HG2 LYS 7 1HG LYS 7 4.962 -7.129 2.015 53 HG3 LYS 7 2HG LYS 7 4.176 -8.524 2.760 54 HD2 LYS 7 1HD LYS 7 5.871 -9.878 2.225 55 HD3 LYS 7 2HD LYS 7 5.921 -9.282 0.564 56 HE2 LYS 7 1HE LYS 7 7.937 -8.495 1.209 57 HE3 LYS 7 2HE LYS 7 6.970 -7.165 1.843 58 HZ1 LYS 7 3HZ LYS 7 6.879 -8.762 3.920 59 HZ2 LYS 7 1HZ LYS 7 8.160 -7.681 3.686 60 HZ3 LYS 7 2HZ LYS 7 8.342 -9.311 3.273 61 H ALA 8 H ALA 8 2.037 -10.195 2.767 62 HA ALA 8 HA ALA 8 -0.591 -10.736 2.218 63 HB1 ALA 8 1HB ALA 8 0.663 -10.912 4.435 64 HB2 ALA 8 2HB ALA 8 0.195 -9.231 4.693 65 HB3 ALA 8 3HB ALA 8 -1.044 -10.471 4.500 66 H CYS 9 H CYS 9 -2.045 -9.577 1.148 67 HA CYS 9 HA CYS 9 -1.891 -6.672 1.133 68 HB2 CYS 9 1HB CYS 9 -2.794 -6.831 -0.911 69 HB3 CYS 9 2HB CYS 9 -2.632 -8.578 -0.761 70 H ASN 10 H ASN 10 -3.616 -5.307 1.715 71 HA ASN 10 HA ASN 10 -5.258 -6.381 3.869 72 HB2 ASN 10 1HB ASN 10 -4.342 -3.670 3.043 73 HB3 ASN 10 2HB ASN 10 -5.863 -3.780 3.923 74 HD21 ASN 10 2HD2 ASN 10 -3.115 -2.750 4.590 75 HD22 ASN 10 1HD2 ASN 10 -2.734 -3.499 6.100 76 HA PRO 11 HA PRO 11 -9.004 -6.530 1.577 77 HB2 PRO 11 1HB PRO 11 -10.802 -6.021 3.546 78 HB3 PRO 11 2HB PRO 11 -9.930 -7.553 3.414 79 HG2 PRO 11 1HG PRO 11 -9.365 -5.198 5.174 80 HG3 PRO 11 2HG PRO 11 -9.324 -6.926 5.569 81 HD2 PRO 11 1HD PRO 11 -7.084 -5.496 5.047 82 HD3 PRO 11 2HD PRO 11 -7.235 -7.217 4.638 83 H SER 12 H SER 12 -8.757 -3.777 3.823 84 HA SER 12 HA SER 12 -10.371 -2.165 1.980 85 HB2 SER 12 1HB SER 12 -11.037 -2.216 4.373 86 HB3 SER 12 2HB SER 12 -9.475 -1.517 4.800 87 HG SER 12 HG SER 12 -11.574 -0.346 3.308 88 H ASN 13 H ASN 13 -7.320 -2.026 3.801 89 HA ASN 13 HA ASN 13 -6.408 0.386 2.648 90 HB2 ASN 13 1HB ASN 13 -5.259 -1.764 4.320 91 HB3 ASN 13 2HB ASN 13 -4.099 -0.858 3.352 92 HD21 ASN 13 2HD2 ASN 13 -3.529 -0.473 5.751 93 HD22 ASN 13 1HD2 ASN 13 -4.174 0.977 6.434 94 H ASP 14 H ASP 14 -6.614 0.324 0.422 95 HA ASP 14 HA ASP 14 -5.849 -1.713 -1.295 96 HB2 ASP 14 1HB ASP 14 -5.598 0.118 -3.012 97 HB3 ASP 14 2HB ASP 14 -7.134 0.111 -2.151 98 H GLN 15 H GLN 15 -3.932 -2.703 -1.219 99 HA GLN 15 HA GLN 15 -1.505 -1.105 -0.859 100 HB2 GLN 15 1HB GLN 15 -2.093 -4.045 -0.598 101 HB3 GLN 15 2HB GLN 15 -0.444 -3.436 -0.664 102 HG2 GLN 15 1HG GLN 15 -1.323 -1.861 1.261 103 HG3 GLN 15 2HG GLN 15 -2.484 -3.171 1.472 104 HE21 GLN 15 2HE2 GLN 15 -1.811 -5.115 2.276 105 HE22 GLN 15 1HE2 GLN 15 -0.227 -5.382 2.911 106 H CYS 16 H CYS 16 -2.386 -3.967 -2.801 107 HA CYS 16 HA CYS 16 -0.433 -3.977 -4.657 108 HB2 CYS 16 1HB CYS 16 -3.283 -4.257 -5.573 109 HB3 CYS 16 2HB CYS 16 -1.864 -5.157 -6.098 110 H CYS 17 H CYS 17 0.014 -3.009 -6.641 111 HA CYS 17 HA CYS 17 -0.530 -0.243 -6.818 112 HB2 CYS 17 1HB CYS 17 1.046 -2.215 -8.278 113 HB3 CYS 17 2HB CYS 17 0.345 -0.998 -9.340 114 H LYS 18 H LYS 18 -1.123 0.486 -9.289 115 HA LYS 18 HA LYS 18 -3.918 -0.290 -9.548 116 HB2 LYS 18 1HB LYS 18 -2.260 2.020 -10.395 117 HB3 LYS 18 2HB LYS 18 -3.619 1.606 -11.431 118 HG2 LYS 18 1HG LYS 18 -4.410 3.230 -9.923 119 HG3 LYS 18 2HG LYS 18 -5.064 1.688 -9.366 120 HD2 LYS 18 1HD LYS 18 -4.307 2.700 -7.407 121 HD3 LYS 18 2HD LYS 18 -2.992 1.604 -7.839 122 HE2 LYS 18 1HE LYS 18 -2.880 4.368 -8.909 123 HE3 LYS 18 2HE LYS 18 -2.581 4.154 -7.185 124 HZ1 LYS 18 3HZ LYS 18 -0.993 3.268 -9.471 125 HZ2 LYS 18 1HZ LYS 18 -1.020 2.261 -8.111 126 HZ3 LYS 18 2HZ LYS 18 -0.489 3.861 -7.969 127 H SER 19 H SER 19 -1.832 0.709 -12.203 128 HA SER 19 HA SER 19 -2.932 -1.060 -14.055 129 HB2 SER 19 1HB SER 19 -0.181 0.204 -14.097 130 HB3 SER 19 2HB SER 19 -1.012 -0.493 -15.487 131 HG SER 19 HG SER 19 -2.743 1.112 -14.824 132 H SER 20 H SER 20 -0.596 -1.596 -11.605 133 HA SER 20 HA SER 20 0.929 -3.672 -12.634 134 HB2 SER 20 1HB SER 20 1.430 -4.269 -10.369 135 HB3 SER 20 2HB SER 20 1.227 -2.517 -10.402 136 HG SER 20 HG SER 20 -1.119 -3.248 -9.882 137 H LYS 21 H LYS 21 0.761 -5.939 -12.511 138 HA LYS 21 HA LYS 21 -1.955 -6.910 -12.821 139 HB2 LYS 21 1HB LYS 21 0.612 -8.481 -13.059 140 HB3 LYS 21 2HB LYS 21 -0.969 -8.917 -13.694 141 HG2 LYS 21 1HG LYS 21 -0.859 -6.990 -15.222 142 HG3 LYS 21 2HG LYS 21 0.759 -6.629 -14.616 143 HD2 LYS 21 1HD LYS 21 1.203 -7.851 -16.535 144 HD3 LYS 21 2HD LYS 21 1.280 -9.084 -15.275 145 HE2 LYS 21 1HE LYS 21 -1.139 -9.579 -15.774 146 HE3 LYS 21 2HE LYS 21 -0.985 -8.527 -17.181 147 HZ1 LYS 21 3HZ LYS 21 -0.006 -10.144 -18.315 148 HZ2 LYS 21 1HZ LYS 21 -0.382 -11.206 -17.052 149 HZ3 LYS 21 2HZ LYS 21 1.122 -10.432 -17.088 150 H LEU 22 H LEU 22 0.557 -6.940 -10.459 151 HA LEU 22 HA LEU 22 0.256 -9.174 -8.985 152 HB2 LEU 22 1HB LEU 22 0.157 -7.190 -7.041 153 HB3 LEU 22 2HB LEU 22 1.596 -7.956 -7.710 154 HG LEU 22 HG LEU 22 0.454 -5.603 -9.134 155 HD11 LEU 22 1HD1 LEU 22 2.124 -5.406 -6.632 156 HD12 LEU 22 2HD1 LEU 22 0.441 -4.907 -6.796 157 HD13 LEU 22 3HD1 LEU 22 1.700 -4.072 -7.705 158 HD21 LEU 22 3HD2 LEU 22 2.303 -6.040 -10.298 159 HD22 LEU 22 1HD2 LEU 22 2.910 -7.145 -9.065 160 HD23 LEU 22 2HD2 LEU 22 3.205 -5.413 -8.918 161 H VAL 23 H VAL 23 -1.568 -10.259 -8.607 162 HA VAL 23 HA VAL 23 -3.972 -8.783 -7.796 163 HB VAL 23 HB VAL 23 -4.250 -10.329 -9.675 164 HG11 VAL 23 1HG1 VAL 23 -4.168 -12.812 -9.122 165 HG12 VAL 23 2HG1 VAL 23 -2.621 -11.989 -9.322 166 HG13 VAL 23 3HG1 VAL 23 -3.225 -12.353 -7.705 167 HG21 VAL 23 3HG2 VAL 23 -5.639 -11.340 -7.196 168 HG22 VAL 23 1HG2 VAL 23 -6.113 -9.908 -8.109 169 HG23 VAL 23 2HG2 VAL 23 -6.201 -11.502 -8.860 170 H CYS 24 H CYS 24 -5.128 -9.325 -5.936 171 HA CYS 24 HA CYS 24 -3.653 -10.968 -3.983 172 HB2 CYS 24 1HB CYS 24 -3.436 -8.883 -3.032 173 HB3 CYS 24 2HB CYS 24 -4.942 -8.291 -3.727 174 H SER 25 H SER 25 -6.740 -10.091 -5.350 175 HA SER 25 HA SER 25 -8.334 -11.581 -3.510 176 HB2 SER 25 1HB SER 25 -9.488 -9.865 -4.635 177 HB3 SER 25 2HB SER 25 -8.854 -10.349 -6.208 178 HG SER 25 HG SER 25 -10.711 -11.339 -6.347 179 H ARG 26 H ARG 26 -7.484 -12.162 -6.927 180 HA ARG 26 HA ARG 26 -8.565 -14.655 -7.259 181 HB2 ARG 26 1HB ARG 26 -6.049 -13.437 -8.374 182 HB3 ARG 26 2HB ARG 26 -6.576 -15.048 -8.844 183 HG2 ARG 26 1HG ARG 26 -8.806 -13.930 -9.441 184 HG3 ARG 26 2HG ARG 26 -7.904 -12.416 -9.358 185 HD2 ARG 26 1HD ARG 26 -6.535 -12.990 -11.149 186 HD3 ARG 26 2HD ARG 26 -6.888 -14.710 -10.991 187 HE ARG 26 HE ARG 26 -9.288 -13.632 -11.632 188 HH11 ARG 26 1HH1 ARG 26 -6.113 -13.449 -13.049 189 HH12 ARG 26 2HH1 ARG 26 -6.704 -13.247 -14.665 190 HH21 ARG 26 1HH2 ARG 26 -10.078 -13.366 -13.756 191 HH22 ARG 26 2HH2 ARG 26 -8.959 -13.198 -15.066 192 H LYS 27 H LYS 27 -5.226 -13.994 -6.192 193 HA LYS 27 HA LYS 27 -4.931 -16.762 -5.344 194 HB2 LYS 27 1HB LYS 27 -3.172 -14.910 -6.389 195 HB3 LYS 27 2HB LYS 27 -2.752 -14.924 -4.682 196 HG2 LYS 27 1HG LYS 27 -1.414 -16.616 -5.310 197 HG3 LYS 27 2HG LYS 27 -2.891 -17.568 -5.141 198 HD2 LYS 27 1HD LYS 27 -3.338 -17.315 -7.526 199 HD3 LYS 27 2HD LYS 27 -1.885 -16.328 -7.703 200 HE2 LYS 27 1HE LYS 27 -0.468 -18.153 -7.250 201 HE3 LYS 27 2HE LYS 27 -1.793 -19.128 -6.618 202 HZ1 LYS 27 3HZ LYS 27 -1.357 -18.345 -9.447 203 HZ2 LYS 27 1HZ LYS 27 -2.742 -19.136 -8.884 204 HZ3 LYS 27 2HZ LYS 27 -1.236 -19.900 -8.793 205 H THR 28 H THR 28 -3.267 -16.558 -3.186 206 HA THR 28 HA THR 28 -4.991 -16.390 -1.029 207 HB THR 28 HB THR 28 -2.211 -15.711 -0.359 208 HG1 THR 28 HG1 THR 28 -2.829 -18.036 -1.888 209 HG21 THR 28 3HG2 THR 28 -4.363 -17.522 0.515 210 HG22 THR 28 1HG2 THR 28 -3.184 -16.620 1.466 211 HG23 THR 28 2HG2 THR 28 -2.725 -18.146 0.711 212 H ARG 29 H ARG 29 -4.428 -14.897 0.949 213 HA ARG 29 HA ARG 29 -5.397 -12.361 0.421 214 HB2 ARG 29 1HB ARG 29 -3.582 -13.037 2.738 215 HB3 ARG 29 2HB ARG 29 -4.822 -11.791 2.678 216 HG2 ARG 29 1HG ARG 29 -5.228 -14.771 2.715 217 HG3 ARG 29 2HG ARG 29 -5.651 -13.609 3.974 218 HD2 ARG 29 1HD ARG 29 -7.695 -13.793 3.013 219 HD3 ARG 29 2HD ARG 29 -7.033 -12.554 1.948 220 HE ARG 29 HE ARG 29 -7.178 -14.050 0.239 221 HH11 ARG 29 1HH1 ARG 29 -7.062 -15.815 3.237 222 HH12 ARG 29 2HH1 ARG 29 -7.284 -17.361 2.487 223 HH21 ARG 29 1HH2 ARG 29 -7.471 -16.079 -0.761 224 HH22 ARG 29 2HH2 ARG 29 -7.515 -17.510 0.212 225 H ALA 30 H ALA 30 -2.228 -13.581 -0.013 226 HA ALA 30 HA ALA 30 -0.886 -11.035 0.107 227 HB1 ALA 30 1HB ALA 30 0.806 -12.727 -1.245 228 HB2 ALA 30 2HB ALA 30 0.763 -12.488 0.502 229 HB3 ALA 30 3HB ALA 30 -0.124 -13.826 -0.227 230 H CYS 31 H CYS 31 -0.058 -9.852 -1.625 231 HA CYS 31 HA CYS 31 -1.490 -10.265 -4.149 232 HB2 CYS 31 1HB CYS 31 -1.270 -8.015 -2.666 233 HB3 CYS 31 2HB CYS 31 0.105 -7.804 -3.745 234 H LYS 32 H LYS 32 -0.448 -11.175 -5.780 235 HA LYS 32 HA LYS 32 2.377 -10.561 -6.210 236 HB2 LYS 32 1HB LYS 32 2.698 -13.051 -6.779 237 HB3 LYS 32 2HB LYS 32 2.666 -12.590 -5.082 238 HG2 LYS 32 1HG LYS 32 0.478 -13.426 -4.794 239 HG3 LYS 32 2HG LYS 32 0.233 -13.586 -6.535 240 HD2 LYS 32 1HD LYS 32 2.238 -15.152 -4.911 241 HD3 LYS 32 2HD LYS 32 0.660 -15.751 -5.427 242 HE2 LYS 32 1HE LYS 32 1.776 -16.534 -7.209 243 HE3 LYS 32 2HE LYS 32 1.702 -14.868 -7.781 244 HZ1 LYS 32 3HZ LYS 32 3.890 -14.641 -7.561 245 HZ2 LYS 32 1HZ LYS 32 3.967 -16.322 -7.383 246 HZ3 LYS 32 2HZ LYS 32 3.907 -15.329 -6.015 247 H TYR 33 H TYR 33 3.067 -10.779 -8.364 248 HA TYR 33 HA TYR 33 1.097 -10.241 -10.315 249 HB2 TYR 33 1HB TYR 33 2.927 -10.233 -11.911 250 HB3 TYR 33 2HB TYR 33 3.428 -9.409 -10.439 251 HD1 TYR 33 HD2 TYR 33 5.019 -10.495 -8.892 252 HD2 TYR 33 HD1 TYR 33 3.991 -12.256 -12.627 253 HE1 TYR 33 HE2 TYR 33 6.984 -11.966 -8.733 254 HE2 TYR 33 HE1 TYR 33 5.953 -13.732 -12.478 255 HH TYR 33 HH TYR 33 7.996 -13.976 -11.392 256 H GLN 34 H GLN 34 -0.049 -11.545 -11.591 257 HA GLN 34 HA GLN 34 -0.123 -14.321 -11.204 258 HB2 GLN 34 1HB GLN 34 -1.694 -14.387 -13.029 259 HB3 GLN 34 2HB GLN 34 -2.007 -12.946 -12.070 260 HG2 GLN 34 1HG GLN 34 -0.816 -11.590 -13.712 261 HG3 GLN 34 2HG GLN 34 -0.498 -13.034 -14.673 262 HE21 GLN 34 2HE2 GLN 34 -2.673 -14.346 -14.967 263 HE22 GLN 34 1HE2 GLN 34 -3.977 -13.399 -15.591 264 H ILE 35 H ILE 35 0.065 -15.905 -13.098 265 HA ILE 35 HA ILE 35 2.713 -15.524 -14.303 266 HB ILE 35 HB ILE 35 1.162 -18.100 -14.064 267 HG12 ILE 35 1HG1 ILE 35 1.648 -17.158 -11.837 268 HG13 ILE 35 2HG1 ILE 35 2.578 -18.621 -12.140 269 HG21 ILE 35 1HG2 ILE 35 2.722 -18.693 -15.572 270 HG22 ILE 35 2HG2 ILE 35 3.765 -17.326 -15.183 271 HG23 ILE 35 3HG2 ILE 35 3.783 -18.767 -14.165 272 HD11 ILE 35 3HD1 ILE 35 3.900 -16.893 -11.034 273 HD12 ILE 35 1HD1 ILE 35 4.545 -17.296 -12.625 274 HD13 ILE 35 2HD1 ILE 35 3.620 -15.811 -12.398 Start of MODEL 16 1 H1 GLU 1 H GLU 1 0.472 0.885 -0.420 2 HA GLU 1 HA GLU 1 3.114 0.419 -1.544 3 HB2 GLU 1 1HB GLU 1 1.629 -0.586 0.855 4 HB3 GLU 1 2HB GLU 1 3.018 -1.482 0.256 5 HG2 GLU 1 1HG GLU 1 3.796 -0.049 1.966 6 HG3 GLU 1 2HG GLU 1 4.348 0.627 0.435 7 H CYS 2 H CYS 2 3.023 -0.585 -3.470 8 HA CYS 2 HA CYS 2 1.074 -2.594 -4.086 9 HB2 CYS 2 1HB CYS 2 3.591 -2.149 -5.667 10 HB3 CYS 2 2HB CYS 2 1.997 -2.629 -6.240 11 H LEU 3 H LEU 3 1.199 -4.730 -3.820 12 HA LEU 3 HA LEU 3 3.761 -5.853 -2.902 13 HB2 LEU 3 1HB LEU 3 1.277 -7.392 -2.507 14 HB3 LEU 3 2HB LEU 3 2.662 -7.180 -1.439 15 HG LEU 3 HG LEU 3 0.798 -4.889 -1.841 16 HD11 LEU 3 1HD1 LEU 3 -0.958 -5.826 -0.857 17 HD12 LEU 3 2HD1 LEU 3 0.044 -6.499 0.429 18 HD13 LEU 3 3HD1 LEU 3 -0.168 -7.387 -1.081 19 HD21 LEU 3 3HD2 LEU 3 1.786 -5.622 0.816 20 HD22 LEU 3 1HD2 LEU 3 1.802 -4.067 -0.015 21 HD23 LEU 3 2HD2 LEU 3 3.052 -5.263 -0.358 22 H GLU 4 H GLU 4 4.591 -6.307 -4.955 23 HA GLU 4 HA GLU 4 3.066 -8.084 -6.694 24 HB2 GLU 4 1HB GLU 4 4.687 -7.630 -8.374 25 HB3 GLU 4 2HB GLU 4 4.339 -6.097 -7.585 26 HG2 GLU 4 1HG GLU 4 6.385 -6.423 -6.204 27 HG3 GLU 4 2HG GLU 4 6.755 -7.842 -7.183 28 H ILE 5 H ILE 5 5.511 -8.213 -4.313 29 HA ILE 5 HA ILE 5 6.784 -10.616 -5.227 30 HB ILE 5 HB ILE 5 8.030 -9.088 -3.820 31 HG12 ILE 5 1HG1 ILE 5 8.925 -10.668 -2.217 32 HG13 ILE 5 2HG1 ILE 5 7.443 -11.616 -2.267 33 HG21 ILE 5 1HG2 ILE 5 6.326 -8.075 -2.512 34 HG22 ILE 5 2HG2 ILE 5 5.862 -9.621 -1.803 35 HG23 ILE 5 3HG2 ILE 5 7.413 -8.892 -1.390 36 HD11 ILE 5 3HD1 ILE 5 9.251 -12.655 -3.535 37 HD12 ILE 5 1HD1 ILE 5 7.887 -12.227 -4.567 38 HD13 ILE 5 2HD1 ILE 5 9.341 -11.228 -4.568 39 H PHE 6 H PHE 6 3.901 -9.896 -3.551 40 HA PHE 6 HA PHE 6 2.239 -11.592 -3.292 41 HB2 PHE 6 1HB PHE 6 2.754 -13.814 -3.126 42 HB3 PHE 6 2HB PHE 6 4.241 -13.257 -3.885 43 HD1 PHE 6 HD2 PHE 6 5.502 -11.934 -1.511 44 HD2 PHE 6 HD1 PHE 6 3.512 -15.674 -1.929 45 HE1 PHE 6 HE2 PHE 6 6.801 -12.832 0.376 46 HE2 PHE 6 HE1 PHE 6 4.807 -16.577 -0.042 47 HZ PHE 6 HZ PHE 6 6.455 -15.157 1.113 48 H LYS 7 H LYS 7 3.382 -9.509 -1.624 49 HA LYS 7 HA LYS 7 3.516 -10.515 1.065 50 HB2 LYS 7 1HB LYS 7 4.162 -8.093 -0.263 51 HB3 LYS 7 2HB LYS 7 2.996 -7.700 0.993 52 HG2 LYS 7 1HG LYS 7 5.251 -7.482 1.833 53 HG3 LYS 7 2HG LYS 7 4.420 -8.806 2.652 54 HD2 LYS 7 1HD LYS 7 5.832 -10.353 1.835 55 HD3 LYS 7 2HD LYS 7 5.880 -9.604 0.237 56 HE2 LYS 7 1HE LYS 7 8.041 -9.269 0.933 57 HE3 LYS 7 2HE LYS 7 7.286 -7.774 1.481 58 HZ1 LYS 7 3HZ LYS 7 6.940 -9.527 3.553 59 HZ2 LYS 7 1HZ LYS 7 8.078 -8.278 3.478 60 HZ3 LYS 7 2HZ LYS 7 8.510 -9.845 3.011 61 H ALA 8 H ALA 8 1.967 -10.473 2.633 62 HA ALA 8 HA ALA 8 -0.667 -10.856 2.081 63 HB1 ALA 8 1HB ALA 8 -1.127 -10.603 4.366 64 HB2 ALA 8 2HB ALA 8 0.559 -11.119 4.302 65 HB3 ALA 8 3HB ALA 8 0.166 -9.423 4.585 66 H CYS 9 H CYS 9 -2.140 -9.642 1.110 67 HA CYS 9 HA CYS 9 -1.861 -6.738 1.110 68 HB2 CYS 9 1HB CYS 9 -2.771 -6.831 -0.935 69 HB3 CYS 9 2HB CYS 9 -2.667 -8.585 -0.815 70 H ASN 10 H ASN 10 -3.509 -5.323 1.752 71 HA ASN 10 HA ASN 10 -5.158 -6.350 3.908 72 HB2 ASN 10 1HB ASN 10 -4.334 -3.627 2.974 73 HB3 ASN 10 2HB ASN 10 -5.752 -3.787 4.006 74 HD21 ASN 10 2HD2 ASN 10 -4.926 -2.840 5.799 75 HD22 ASN 10 1HD2 ASN 10 -3.614 -3.493 6.715 76 HA PRO 11 HA PRO 11 -8.942 -6.538 1.683 77 HB2 PRO 11 1HB PRO 11 -10.705 -5.982 3.672 78 HB3 PRO 11 2HB PRO 11 -9.839 -7.519 3.557 79 HG2 PRO 11 1HG PRO 11 -9.239 -5.129 5.257 80 HG3 PRO 11 2HG PRO 11 -9.195 -6.849 5.688 81 HD2 PRO 11 1HD PRO 11 -6.961 -5.437 5.098 82 HD3 PRO 11 2HD PRO 11 -7.123 -7.165 4.728 83 H SER 12 H SER 12 -8.651 -3.739 3.867 84 HA SER 12 HA SER 12 -10.277 -2.160 2.003 85 HB2 SER 12 1HB SER 12 -9.443 -1.613 4.860 86 HB3 SER 12 2HB SER 12 -10.387 -0.504 3.868 87 HG SER 12 HG SER 12 -11.175 -2.745 5.204 88 H ASN 13 H ASN 13 -7.202 -2.066 3.771 89 HA ASN 13 HA ASN 13 -6.290 0.358 2.627 90 HB2 ASN 13 1HB ASN 13 -5.448 -1.092 4.706 91 HB3 ASN 13 2HB ASN 13 -4.316 -1.694 3.499 92 HD21 ASN 13 2HD2 ASN 13 -3.848 -0.072 5.879 93 HD22 ASN 13 1HD2 ASN 13 -3.070 1.369 5.327 94 H ASP 14 H ASP 14 -6.549 0.273 0.399 95 HA ASP 14 HA ASP 14 -5.816 -1.755 -1.328 96 HB2 ASP 14 1HB ASP 14 -5.922 1.233 -1.664 97 HB3 ASP 14 2HB ASP 14 -5.434 0.186 -2.993 98 H GLN 15 H GLN 15 -3.915 -2.783 -1.229 99 HA GLN 15 HA GLN 15 -1.457 -1.231 -0.896 100 HB2 GLN 15 1HB GLN 15 -2.112 -4.155 -0.630 101 HB3 GLN 15 2HB GLN 15 -0.447 -3.597 -0.735 102 HG2 GLN 15 1HG GLN 15 -1.208 -1.999 1.208 103 HG3 GLN 15 2HG GLN 15 -2.436 -3.243 1.442 104 HE21 GLN 15 2HE2 GLN 15 0.882 -2.408 1.751 105 HE22 GLN 15 1HE2 GLN 15 1.400 -3.852 2.546 106 H CYS 16 H CYS 16 -2.411 -4.062 -2.850 107 HA CYS 16 HA CYS 16 -0.466 -4.097 -4.718 108 HB2 CYS 16 1HB CYS 16 -3.312 -4.321 -5.649 109 HB3 CYS 16 2HB CYS 16 -1.912 -5.272 -6.132 110 H CYS 17 H CYS 17 -0.085 -3.172 -6.762 111 HA CYS 17 HA CYS 17 -0.599 -0.377 -6.903 112 HB2 CYS 17 1HB CYS 17 1.034 -2.329 -8.314 113 HB3 CYS 17 2HB CYS 17 0.323 -1.152 -9.413 114 H LYS 18 H LYS 18 -1.128 0.310 -9.424 115 HA LYS 18 HA LYS 18 -3.909 -0.533 -9.746 116 HB2 LYS 18 1HB LYS 18 -2.333 1.883 -10.479 117 HB3 LYS 18 2HB LYS 18 -3.691 1.459 -11.514 118 HG2 LYS 18 1HG LYS 18 -4.336 3.066 -9.803 119 HG3 LYS 18 2HG LYS 18 -5.195 1.537 -9.606 120 HD2 LYS 18 1HD LYS 18 -3.908 0.927 -7.742 121 HD3 LYS 18 2HD LYS 18 -2.661 2.123 -8.104 122 HE2 LYS 18 1HE LYS 18 -3.757 3.174 -6.389 123 HE3 LYS 18 2HE LYS 18 -4.644 3.814 -7.771 124 HZ1 LYS 18 3HZ LYS 18 -5.516 1.440 -6.221 125 HZ2 LYS 18 1HZ LYS 18 -6.398 2.278 -7.397 126 HZ3 LYS 18 2HZ LYS 18 -6.060 3.011 -5.910 127 H SER 19 H SER 19 -1.626 0.599 -12.209 128 HA SER 19 HA SER 19 -2.642 -1.019 -14.245 129 HB2 SER 19 1HB SER 19 -1.282 0.972 -14.692 130 HB3 SER 19 2HB SER 19 0.129 0.178 -13.993 131 HG SER 19 HG SER 19 0.227 -0.072 -16.202 132 H SER 20 H SER 20 -0.482 -1.755 -11.677 133 HA SER 20 HA SER 20 0.961 -3.886 -12.794 134 HB2 SER 20 1HB SER 20 0.092 -3.568 -9.911 135 HB3 SER 20 2HB SER 20 1.426 -4.560 -10.500 136 HG SER 20 HG SER 20 2.104 -2.356 -11.436 137 H LYS 21 H LYS 21 0.671 -6.142 -12.632 138 HA LYS 21 HA LYS 21 -2.112 -6.954 -12.816 139 HB2 LYS 21 1HB LYS 21 0.005 -7.668 -14.288 140 HB3 LYS 21 2HB LYS 21 0.095 -8.932 -13.068 141 HG2 LYS 21 1HG LYS 21 -2.115 -9.689 -13.601 142 HG3 LYS 21 2HG LYS 21 -2.363 -8.327 -14.696 143 HD2 LYS 21 1HD LYS 21 -0.077 -10.204 -15.139 144 HD3 LYS 21 2HD LYS 21 -1.703 -10.659 -15.654 145 HE2 LYS 21 1HE LYS 21 -0.951 -9.633 -17.555 146 HE3 LYS 21 2HE LYS 21 -1.672 -8.255 -16.726 147 HZ1 LYS 21 3HZ LYS 21 0.756 -8.169 -17.703 148 HZ2 LYS 21 1HZ LYS 21 1.143 -8.833 -16.195 149 HZ3 LYS 21 2HZ LYS 21 0.344 -7.345 -16.284 150 H LEU 22 H LEU 22 0.441 -7.024 -10.536 151 HA LEU 22 HA LEU 22 0.182 -9.246 -9.041 152 HB2 LEU 22 1HB LEU 22 0.067 -7.187 -7.139 153 HB3 LEU 22 2HB LEU 22 1.494 -8.034 -7.735 154 HG LEU 22 HG LEU 22 0.452 -5.697 -9.271 155 HD11 LEU 22 1HD1 LEU 22 2.215 -5.449 -6.840 156 HD12 LEU 22 2HD1 LEU 22 0.516 -4.984 -6.903 157 HD13 LEU 22 3HD1 LEU 22 1.696 -4.150 -7.913 158 HD21 LEU 22 3HD2 LEU 22 2.254 -6.326 -10.432 159 HD22 LEU 22 1HD2 LEU 22 2.866 -7.327 -9.114 160 HD23 LEU 22 2HD2 LEU 22 3.190 -5.593 -9.128 161 H VAL 23 H VAL 23 -1.623 -10.347 -8.622 162 HA VAL 23 HA VAL 23 -4.028 -8.890 -7.782 163 HB VAL 23 HB VAL 23 -4.311 -10.455 -9.651 164 HG11 VAL 23 1HG1 VAL 23 -4.233 -12.954 -8.343 165 HG12 VAL 23 2HG1 VAL 23 -3.221 -12.390 -9.674 166 HG13 VAL 23 3HG1 VAL 23 -2.702 -12.146 -8.006 167 HG21 VAL 23 3HG2 VAL 23 -5.684 -11.535 -7.197 168 HG22 VAL 23 1HG2 VAL 23 -6.127 -10.015 -7.975 169 HG23 VAL 23 2HG2 VAL 23 -6.280 -11.535 -8.857 170 H CYS 24 H CYS 24 -5.110 -9.373 -5.881 171 HA CYS 24 HA CYS 24 -3.622 -11.042 -3.960 172 HB2 CYS 24 1HB CYS 24 -3.331 -9.053 -2.906 173 HB3 CYS 24 2HB CYS 24 -4.683 -8.296 -3.742 174 H SER 25 H SER 25 -6.716 -10.106 -5.259 175 HA SER 25 HA SER 25 -8.294 -11.540 -3.355 176 HB2 SER 25 1HB SER 25 -9.358 -9.734 -4.502 177 HB3 SER 25 2HB SER 25 -8.913 -10.387 -6.079 178 HG SER 25 HG SER 25 -10.496 -11.818 -5.956 179 H ARG 26 H ARG 26 -7.581 -12.142 -6.799 180 HA ARG 26 HA ARG 26 -8.739 -14.605 -7.091 181 HB2 ARG 26 1HB ARG 26 -6.197 -13.510 -8.287 182 HB3 ARG 26 2HB ARG 26 -6.879 -15.056 -8.773 183 HG2 ARG 26 1HG ARG 26 -8.966 -13.886 -9.408 184 HG3 ARG 26 2HG ARG 26 -8.179 -12.353 -9.027 185 HD2 ARG 26 1HD ARG 26 -7.982 -12.651 -11.369 186 HD3 ARG 26 2HD ARG 26 -6.393 -12.987 -10.683 187 HE ARG 26 HE ARG 26 -7.500 -15.435 -10.804 188 HH11 ARG 26 1HH1 ARG 26 -7.205 -12.872 -13.143 189 HH12 ARG 26 2HH1 ARG 26 -7.145 -13.944 -14.503 190 HH21 ARG 26 1HH2 ARG 26 -7.422 -16.856 -12.587 191 HH22 ARG 26 2HH2 ARG 26 -7.269 -16.209 -14.186 192 H LYS 27 H LYS 27 -5.355 -14.024 -6.125 193 HA LYS 27 HA LYS 27 -5.108 -16.802 -5.284 194 HB2 LYS 27 1HB LYS 27 -3.033 -14.608 -5.180 195 HB3 LYS 27 2HB LYS 27 -2.751 -16.335 -5.011 196 HG2 LYS 27 1HG LYS 27 -3.947 -15.196 -7.509 197 HG3 LYS 27 2HG LYS 27 -2.201 -15.223 -7.251 198 HD2 LYS 27 1HD LYS 27 -2.269 -17.643 -6.962 199 HD3 LYS 27 2HD LYS 27 -4.022 -17.630 -7.171 200 HE2 LYS 27 1HE LYS 27 -3.732 -16.748 -9.441 201 HE3 LYS 27 2HE LYS 27 -1.983 -16.784 -9.228 202 HZ1 LYS 27 3HZ LYS 27 -2.828 -18.718 -10.447 203 HZ2 LYS 27 1HZ LYS 27 -3.754 -19.164 -9.103 204 HZ3 LYS 27 2HZ LYS 27 -2.066 -19.165 -9.004 205 H THR 28 H THR 28 -3.345 -16.630 -3.199 206 HA THR 28 HA THR 28 -4.943 -16.442 -0.967 207 HB THR 28 HB THR 28 -2.134 -15.700 -0.472 208 HG1 THR 28 HG1 THR 28 -2.821 -18.109 -1.836 209 HG21 THR 28 3HG2 THR 28 -2.706 -18.180 0.639 210 HG22 THR 28 1HG2 THR 28 -4.244 -17.320 0.687 211 HG23 THR 28 2HG2 THR 28 -2.817 -16.617 1.449 212 H ARG 29 H ARG 29 -4.494 -14.924 0.947 213 HA ARG 29 HA ARG 29 -5.463 -12.405 0.407 214 HB2 ARG 29 1HB ARG 29 -3.651 -13.091 2.726 215 HB3 ARG 29 2HB ARG 29 -4.842 -11.798 2.661 216 HG2 ARG 29 1HG ARG 29 -6.518 -13.160 3.219 217 HG3 ARG 29 2HG ARG 29 -5.965 -14.437 2.134 218 HD2 ARG 29 1HD ARG 29 -4.523 -13.855 4.695 219 HD3 ARG 29 2HD ARG 29 -5.962 -14.873 4.679 220 HE ARG 29 HE ARG 29 -4.311 -15.893 2.732 221 HH11 ARG 29 1HH1 ARG 29 -4.115 -15.322 6.160 222 HH12 ARG 29 2HH1 ARG 29 -3.032 -16.643 6.450 223 HH21 ARG 29 1HH2 ARG 29 -2.885 -17.635 3.101 224 HH22 ARG 29 2HH2 ARG 29 -2.332 -17.957 4.709 225 H ALA 30 H ALA 30 -2.251 -13.581 0.053 226 HA ALA 30 HA ALA 30 -0.961 -11.012 0.122 227 HB1 ALA 30 1HB ALA 30 0.705 -12.796 -1.234 228 HB2 ALA 30 2HB ALA 30 0.773 -12.354 0.472 229 HB3 ALA 30 3HB ALA 30 -0.149 -13.769 -0.036 230 H CYS 31 H CYS 31 -0.137 -9.843 -1.622 231 HA CYS 31 HA CYS 31 -1.540 -10.321 -4.152 232 HB2 CYS 31 1HB CYS 31 -1.333 -8.038 -2.687 233 HB3 CYS 31 2HB CYS 31 -0.000 -7.826 -3.818 234 H LYS 32 H LYS 32 -0.473 -11.197 -5.786 235 HA LYS 32 HA LYS 32 2.351 -10.557 -6.181 236 HB2 LYS 32 1HB LYS 32 3.119 -12.742 -6.204 237 HB3 LYS 32 2HB LYS 32 1.960 -12.784 -4.881 238 HG2 LYS 32 1HG LYS 32 0.336 -13.474 -6.884 239 HG3 LYS 32 2HG LYS 32 1.862 -14.075 -7.536 240 HD2 LYS 32 1HD LYS 32 1.019 -14.704 -4.726 241 HD3 LYS 32 2HD LYS 32 0.435 -15.660 -6.090 242 HE2 LYS 32 1HE LYS 32 2.875 -15.929 -6.746 243 HE3 LYS 32 2HE LYS 32 3.268 -15.277 -5.156 244 HZ1 LYS 32 3HZ LYS 32 2.246 -17.884 -5.880 245 HZ2 LYS 32 1HZ LYS 32 1.501 -17.186 -4.531 246 HZ3 LYS 32 2HZ LYS 32 3.177 -17.416 -4.547 247 H TYR 33 H TYR 33 3.073 -10.800 -8.328 248 HA TYR 33 HA TYR 33 1.357 -10.068 -10.334 249 HB2 TYR 33 1HB TYR 33 4.079 -11.183 -10.217 250 HB3 TYR 33 2HB TYR 33 3.250 -11.441 -11.748 251 HD1 TYR 33 HD1 TYR 33 2.019 -9.260 -12.675 252 HD2 TYR 33 HD2 TYR 33 5.315 -9.251 -9.984 253 HE1 TYR 33 HE1 TYR 33 2.569 -6.964 -13.366 254 HE2 TYR 33 HE2 TYR 33 5.873 -6.955 -10.666 255 HH TYR 33 HH TYR 33 4.265 -5.390 -13.342 256 H GLN 34 H GLN 34 -0.053 -11.048 -11.658 257 HA GLN 34 HA GLN 34 -1.161 -13.512 -11.098 258 HB2 GLN 34 1HB GLN 34 -1.191 -11.753 -13.519 259 HB3 GLN 34 2HB GLN 34 -1.921 -13.351 -13.608 260 HG2 GLN 34 1HG GLN 34 -3.384 -12.787 -11.734 261 HG3 GLN 34 2HG GLN 34 -2.656 -11.183 -11.653 262 HE21 GLN 34 2HE2 GLN 34 -5.234 -11.108 -11.901 263 HE22 GLN 34 1HE2 GLN 34 -5.744 -10.743 -13.511 264 H ILE 35 H ILE 35 1.266 -12.720 -13.567 265 HA ILE 35 HA ILE 35 1.642 -15.575 -14.098 266 HB ILE 35 HB ILE 35 2.868 -13.217 -15.532 267 HG12 ILE 35 1HG1 ILE 35 0.546 -14.948 -16.401 268 HG13 ILE 35 2HG1 ILE 35 0.368 -13.347 -15.692 269 HG21 ILE 35 1HG2 ILE 35 4.169 -15.257 -15.753 270 HG22 ILE 35 2HG2 ILE 35 2.729 -16.140 -16.257 271 HG23 ILE 35 3HG2 ILE 35 3.381 -14.861 -17.280 272 HD11 ILE 35 3HD1 ILE 35 1.225 -14.142 -18.395 273 HD12 ILE 35 1HD1 ILE 35 0.298 -12.742 -17.858 274 HD13 ILE 35 2HD1 ILE 35 2.053 -12.759 -17.681 Start of MODEL 17 1 H1 GLU 1 H GLU 1 0.565 0.220 0.229 2 HA GLU 1 HA GLU 1 2.733 0.782 -1.680 3 HB2 GLU 1 1HB GLU 1 2.668 -1.040 0.730 4 HB3 GLU 1 2HB GLU 1 4.017 -0.931 -0.392 5 HG2 GLU 1 1HG GLU 1 4.716 0.466 1.275 6 HG3 GLU 1 2HG GLU 1 3.927 1.608 0.189 7 H CYS 2 H CYS 2 3.009 -0.483 -3.410 8 HA CYS 2 HA CYS 2 1.057 -2.494 -4.011 9 HB2 CYS 2 1HB CYS 2 3.558 -2.046 -5.615 10 HB3 CYS 2 2HB CYS 2 1.958 -2.522 -6.173 11 H LEU 3 H LEU 3 1.192 -4.634 -3.766 12 HA LEU 3 HA LEU 3 3.760 -5.750 -2.858 13 HB2 LEU 3 1HB LEU 3 1.307 -7.325 -2.464 14 HB3 LEU 3 2HB LEU 3 2.674 -7.063 -1.383 15 HG LEU 3 HG LEU 3 0.746 -4.832 -1.832 16 HD11 LEU 3 1HD1 LEU 3 -0.974 -5.761 -0.759 17 HD12 LEU 3 2HD1 LEU 3 0.072 -6.522 0.439 18 HD13 LEU 3 3HD1 LEU 3 -0.206 -7.308 -1.115 19 HD21 LEU 3 3HD2 LEU 3 1.711 -5.474 0.849 20 HD22 LEU 3 1HD2 LEU 3 1.737 -3.947 -0.033 21 HD23 LEU 3 2HD2 LEU 3 3.000 -5.146 -0.311 22 H GLU 4 H GLU 4 4.589 -6.187 -4.916 23 HA GLU 4 HA GLU 4 3.069 -7.963 -6.662 24 HB2 GLU 4 1HB GLU 4 4.679 -7.488 -8.344 25 HB3 GLU 4 2HB GLU 4 4.334 -5.963 -7.540 26 HG2 GLU 4 1HG GLU 4 6.395 -6.419 -6.127 27 HG3 GLU 4 2HG GLU 4 6.773 -7.689 -7.289 28 H ILE 5 H ILE 5 5.519 -8.093 -4.286 29 HA ILE 5 HA ILE 5 6.802 -10.484 -5.215 30 HB ILE 5 HB ILE 5 8.038 -8.952 -3.799 31 HG12 ILE 5 1HG1 ILE 5 8.955 -10.541 -2.216 32 HG13 ILE 5 2HG1 ILE 5 7.483 -11.504 -2.274 33 HG21 ILE 5 1HG2 ILE 5 6.300 -7.986 -2.482 34 HG22 ILE 5 2HG2 ILE 5 5.903 -9.545 -1.761 35 HG23 ILE 5 3HG2 ILE 5 7.436 -8.762 -1.378 36 HD11 ILE 5 3HD1 ILE 5 9.292 -12.512 -3.559 37 HD12 ILE 5 1HD1 ILE 5 7.928 -12.077 -4.587 38 HD13 ILE 5 2HD1 ILE 5 9.376 -11.071 -4.571 39 H PHE 6 H PHE 6 3.916 -9.791 -3.540 40 HA PHE 6 HA PHE 6 2.268 -11.507 -3.298 41 HB2 PHE 6 1HB PHE 6 2.806 -13.725 -3.100 42 HB3 PHE 6 2HB PHE 6 4.281 -13.155 -3.873 43 HD1 PHE 6 HD2 PHE 6 5.501 -11.778 -1.487 44 HD2 PHE 6 HD1 PHE 6 3.633 -15.577 -1.922 45 HE1 PHE 6 HE2 PHE 6 6.823 -12.640 0.401 46 HE2 PHE 6 HE1 PHE 6 4.951 -16.445 -0.034 47 HZ PHE 6 HZ PHE 6 6.550 -14.977 1.129 48 H LYS 7 H LYS 7 3.386 -9.406 -1.626 49 HA LYS 7 HA LYS 7 3.516 -10.390 1.066 50 HB2 LYS 7 1HB LYS 7 4.134 -7.976 -0.265 51 HB3 LYS 7 2HB LYS 7 2.916 -7.581 0.940 52 HG2 LYS 7 1HG LYS 7 5.093 -7.286 1.895 53 HG3 LYS 7 2HG LYS 7 4.316 -8.675 2.658 54 HD2 LYS 7 1HD LYS 7 5.866 -10.104 1.892 55 HD3 LYS 7 2HD LYS 7 5.891 -9.360 0.291 56 HE2 LYS 7 1HE LYS 7 7.998 -8.831 0.988 57 HE3 LYS 7 2HE LYS 7 7.127 -7.427 1.604 58 HZ1 LYS 7 3HZ LYS 7 8.116 -7.980 3.520 59 HZ2 LYS 7 1HZ LYS 7 8.421 -9.575 3.044 60 HZ3 LYS 7 2HZ LYS 7 6.898 -9.148 3.644 61 H ALA 8 H ALA 8 1.959 -10.377 2.629 62 HA ALA 8 HA ALA 8 -0.667 -10.819 2.052 63 HB1 ALA 8 1HB ALA 8 0.620 -9.717 4.528 64 HB2 ALA 8 2HB ALA 8 -1.113 -10.034 4.445 65 HB3 ALA 8 3HB ALA 8 0.036 -11.352 4.218 66 H CYS 9 H CYS 9 -2.122 -9.611 1.044 67 HA CYS 9 HA CYS 9 -1.903 -6.711 1.078 68 HB2 CYS 9 1HB CYS 9 -2.862 -6.800 -0.947 69 HB3 CYS 9 2HB CYS 9 -2.693 -8.550 -0.847 70 H ASN 10 H ASN 10 -3.590 -5.317 1.706 71 HA ASN 10 HA ASN 10 -5.209 -6.379 3.880 72 HB2 ASN 10 1HB ASN 10 -4.306 -3.668 3.026 73 HB3 ASN 10 2HB ASN 10 -5.791 -3.782 3.967 74 HD21 ASN 10 2HD2 ASN 10 -5.037 -2.869 5.811 75 HD22 ASN 10 1HD2 ASN 10 -3.813 -3.578 6.804 76 HA PRO 11 HA PRO 11 -9.001 -6.497 1.665 77 HB2 PRO 11 1HB PRO 11 -10.754 -5.974 3.670 78 HB3 PRO 11 2HB PRO 11 -9.898 -7.513 3.520 79 HG2 PRO 11 1HG PRO 11 -9.278 -5.163 5.268 80 HG3 PRO 11 2HG PRO 11 -9.242 -6.892 5.663 81 HD2 PRO 11 1HD PRO 11 -7.002 -5.480 5.095 82 HD3 PRO 11 2HD PRO 11 -7.176 -7.200 4.689 83 H SER 12 H SER 12 -8.671 -3.743 3.898 84 HA SER 12 HA SER 12 -10.298 -2.116 2.076 85 HB2 SER 12 1HB SER 12 -9.603 -1.893 4.988 86 HB3 SER 12 2HB SER 12 -10.116 -0.464 4.092 87 HG SER 12 HG SER 12 -11.839 -1.660 5.138 88 H ASN 13 H ASN 13 -7.207 -2.108 3.813 89 HA ASN 13 HA ASN 13 -6.285 0.344 2.723 90 HB2 ASN 13 1HB ASN 13 -5.450 -1.155 4.773 91 HB3 ASN 13 2HB ASN 13 -4.322 -1.735 3.552 92 HD21 ASN 13 2HD2 ASN 13 -5.579 1.209 5.039 93 HD22 ASN 13 1HD2 ASN 13 -4.124 2.125 4.875 94 H ASP 14 H ASP 14 -6.560 0.291 0.493 95 HA ASP 14 HA ASP 14 -5.822 -1.717 -1.262 96 HB2 ASP 14 1HB ASP 14 -5.527 0.192 -2.935 97 HB3 ASP 14 2HB ASP 14 -7.094 0.073 -2.138 98 H GLN 15 H GLN 15 -3.903 -2.724 -1.101 99 HA GLN 15 HA GLN 15 -1.466 -1.139 -0.806 100 HB2 GLN 15 1HB GLN 15 -2.084 -4.069 -0.533 101 HB3 GLN 15 2HB GLN 15 -0.426 -3.495 -0.652 102 HG2 GLN 15 1HG GLN 15 -1.189 -1.901 1.294 103 HG3 GLN 15 2HG GLN 15 -2.401 -3.158 1.541 104 HE21 GLN 15 2HE2 GLN 15 -1.772 -5.169 2.261 105 HE22 GLN 15 1HE2 GLN 15 -0.192 -5.488 2.884 106 H CYS 16 H CYS 16 -2.379 -3.989 -2.751 107 HA CYS 16 HA CYS 16 -0.443 -3.992 -4.628 108 HB2 CYS 16 1HB CYS 16 -3.286 -4.271 -5.550 109 HB3 CYS 16 2HB CYS 16 -1.870 -5.201 -6.029 110 H CYS 17 H CYS 17 -0.089 -3.064 -6.676 111 HA CYS 17 HA CYS 17 -0.650 -0.280 -6.821 112 HB2 CYS 17 1HB CYS 17 0.989 -2.214 -8.256 113 HB3 CYS 17 2HB CYS 17 0.261 -1.030 -9.336 114 H LYS 18 H LYS 18 -1.232 0.420 -9.311 115 HA LYS 18 HA LYS 18 -3.989 -0.503 -9.627 116 HB2 LYS 18 1HB LYS 18 -2.611 1.857 -10.919 117 HB3 LYS 18 2HB LYS 18 -4.335 1.510 -10.943 118 HG2 LYS 18 1HG LYS 18 -2.642 2.415 -8.643 119 HG3 LYS 18 2HG LYS 18 -4.075 3.182 -9.333 120 HD2 LYS 18 1HD LYS 18 -5.389 1.181 -8.573 121 HD3 LYS 18 2HD LYS 18 -3.947 0.647 -7.707 122 HE2 LYS 18 1HE LYS 18 -3.952 2.743 -6.431 123 HE3 LYS 18 2HE LYS 18 -5.406 3.254 -7.286 124 HZ1 LYS 18 3HZ LYS 18 -5.451 2.000 -4.948 125 HZ2 LYS 18 1HZ LYS 18 -5.542 0.663 -5.981 126 HZ3 LYS 18 2HZ LYS 18 -6.703 1.888 -6.080 127 H SER 19 H SER 19 -1.675 0.712 -12.033 128 HA SER 19 HA SER 19 -2.678 -0.861 -14.125 129 HB2 SER 19 1HB SER 19 -0.005 0.508 -13.777 130 HB3 SER 19 2HB SER 19 -0.509 -0.269 -15.277 131 HG SER 19 HG SER 19 -2.309 1.165 -15.299 132 H SER 20 H SER 20 -0.565 -1.636 -11.547 133 HA SER 20 HA SER 20 0.937 -3.709 -12.727 134 HB2 SER 20 1HB SER 20 0.094 -3.452 -9.831 135 HB3 SER 20 2HB SER 20 1.438 -4.411 -10.450 136 HG SER 20 HG SER 20 2.608 -2.681 -10.366 137 H LYS 21 H LYS 21 0.686 -5.972 -12.597 138 HA LYS 21 HA LYS 21 -2.079 -6.829 -12.789 139 HB2 LYS 21 1HB LYS 21 0.573 -7.999 -13.506 140 HB3 LYS 21 2HB LYS 21 -0.784 -9.091 -13.262 141 HG2 LYS 21 1HG LYS 21 -0.977 -8.727 -15.497 142 HG3 LYS 21 2HG LYS 21 -1.987 -7.409 -14.898 143 HD2 LYS 21 1HD LYS 21 -0.560 -6.488 -16.561 144 HD3 LYS 21 2HD LYS 21 0.054 -5.941 -14.999 145 HE2 LYS 21 1HE LYS 21 1.917 -7.289 -15.109 146 HE3 LYS 21 2HE LYS 21 1.146 -8.446 -16.194 147 HZ1 LYS 21 3HZ LYS 21 2.731 -6.170 -16.826 148 HZ2 LYS 21 1HZ LYS 21 1.227 -6.089 -17.597 149 HZ3 LYS 21 2HZ LYS 21 2.225 -7.435 -17.829 150 H LEU 22 H LEU 22 0.457 -6.870 -10.488 151 HA LEU 22 HA LEU 22 0.214 -9.099 -9.000 152 HB2 LEU 22 1HB LEU 22 0.055 -7.032 -7.102 153 HB3 LEU 22 2HB LEU 22 1.492 -7.881 -7.669 154 HG LEU 22 HG LEU 22 0.462 -5.544 -9.218 155 HD11 LEU 22 1HD1 LEU 22 2.249 -5.309 -6.804 156 HD12 LEU 22 2HD1 LEU 22 0.548 -4.845 -6.841 157 HD13 LEU 22 3HD1 LEU 22 1.714 -4.006 -7.865 158 HD21 LEU 22 3HD2 LEU 22 2.254 -6.179 -10.390 159 HD22 LEU 22 1HD2 LEU 22 2.860 -7.196 -9.083 160 HD23 LEU 22 2HD2 LEU 22 3.203 -5.466 -9.085 161 H VAL 23 H VAL 23 -1.598 -10.217 -8.637 162 HA VAL 23 HA VAL 23 -4.013 -8.788 -7.778 163 HB VAL 23 HB VAL 23 -4.294 -10.303 -9.680 164 HG11 VAL 23 1HG1 VAL 23 -4.186 -12.843 -8.477 165 HG12 VAL 23 2HG1 VAL 23 -3.157 -12.209 -9.763 166 HG13 VAL 23 3HG1 VAL 23 -2.672 -12.034 -8.076 167 HG21 VAL 23 3HG2 VAL 23 -5.645 -11.513 -7.279 168 HG22 VAL 23 1HG2 VAL 23 -6.091 -9.940 -7.939 169 HG23 VAL 23 2HG2 VAL 23 -6.257 -11.391 -8.928 170 H CYS 24 H CYS 24 -5.103 -9.317 -5.894 171 HA CYS 24 HA CYS 24 -3.619 -11.025 -4.003 172 HB2 CYS 24 1HB CYS 24 -3.342 -9.054 -2.909 173 HB3 CYS 24 2HB CYS 24 -4.702 -8.291 -3.726 174 H SER 25 H SER 25 -6.708 -10.077 -5.304 175 HA SER 25 HA SER 25 -8.299 -11.546 -3.441 176 HB2 SER 25 1HB SER 25 -9.109 -9.607 -4.841 177 HB3 SER 25 2HB SER 25 -9.087 -10.690 -6.232 178 HG SER 25 HG SER 25 -11.147 -10.658 -5.314 179 H ARG 26 H ARG 26 -7.525 -12.111 -6.878 180 HA ARG 26 HA ARG 26 -8.669 -14.567 -7.232 181 HB2 ARG 26 1HB ARG 26 -6.090 -13.460 -8.330 182 HB3 ARG 26 2HB ARG 26 -6.742 -15.008 -8.848 183 HG2 ARG 26 1HG ARG 26 -8.832 -13.821 -9.514 184 HG3 ARG 26 2HG ARG 26 -8.011 -12.300 -9.160 185 HD2 ARG 26 1HD ARG 26 -6.229 -12.997 -10.782 186 HD3 ARG 26 2HD ARG 26 -7.260 -14.356 -11.229 187 HE ARG 26 HE ARG 26 -8.704 -11.942 -11.439 188 HH11 ARG 26 1HH1 ARG 26 -6.169 -13.741 -13.006 189 HH12 ARG 26 2HH1 ARG 26 -6.487 -13.075 -14.574 190 HH21 ARG 26 1HH2 ARG 26 -9.133 -11.058 -13.498 191 HH22 ARG 26 2HH2 ARG 26 -8.173 -11.549 -14.853 192 H LYS 27 H LYS 27 -5.310 -14.021 -6.162 193 HA LYS 27 HA LYS 27 -5.130 -16.804 -5.311 194 HB2 LYS 27 1HB LYS 27 -2.964 -14.725 -5.071 195 HB3 LYS 27 2HB LYS 27 -2.792 -16.474 -5.134 196 HG2 LYS 27 1HG LYS 27 -3.884 -16.162 -7.507 197 HG3 LYS 27 2HG LYS 27 -3.242 -14.527 -7.334 198 HD2 LYS 27 1HD LYS 27 -1.047 -15.253 -7.297 199 HD3 LYS 27 2HD LYS 27 -1.485 -16.877 -6.761 200 HE2 LYS 27 1HE LYS 27 -0.730 -16.857 -9.093 201 HE3 LYS 27 2HE LYS 27 -2.410 -17.374 -8.952 202 HZ1 LYS 27 3HZ LYS 27 -3.149 -15.565 -10.040 203 HZ2 LYS 27 1HZ LYS 27 -1.582 -15.531 -10.677 204 HZ3 LYS 27 2HZ LYS 27 -1.988 -14.531 -9.374 205 H THR 28 H THR 28 -3.392 -16.656 -3.204 206 HA THR 28 HA THR 28 -5.022 -16.398 -0.997 207 HB THR 28 HB THR 28 -2.191 -15.758 -0.474 208 HG1 THR 28 HG1 THR 28 -2.809 -18.320 -1.526 209 HG21 THR 28 3HG2 THR 28 -2.612 -18.006 0.842 210 HG22 THR 28 1HG2 THR 28 -4.301 -17.605 0.538 211 HG23 THR 28 2HG2 THR 28 -3.273 -16.478 1.421 212 H ARG 29 H ARG 29 -4.505 -14.881 0.917 213 HA ARG 29 HA ARG 29 -5.394 -12.337 0.359 214 HB2 ARG 29 1HB ARG 29 -3.598 -13.084 2.673 215 HB3 ARG 29 2HB ARG 29 -4.713 -11.725 2.604 216 HG2 ARG 29 1HG ARG 29 -5.445 -14.645 2.616 217 HG3 ARG 29 2HG ARG 29 -5.651 -13.497 3.940 218 HD2 ARG 29 1HD ARG 29 -7.013 -12.173 2.101 219 HD3 ARG 29 2HD ARG 29 -7.186 -13.786 1.409 220 HE ARG 29 HE ARG 29 -7.853 -14.041 4.065 221 HH11 ARG 29 1HH1 ARG 29 -8.987 -12.188 1.346 222 HH12 ARG 29 2HH1 ARG 29 -10.624 -12.118 1.910 223 HH21 ARG 29 1HH2 ARG 29 -10.004 -13.957 4.818 224 HH22 ARG 29 2HH2 ARG 29 -11.201 -13.124 3.885 225 H ALA 30 H ALA 30 -2.225 -13.619 -0.007 226 HA ALA 30 HA ALA 30 -0.826 -11.119 0.060 227 HB1 ALA 30 1HB ALA 30 0.791 -12.836 -1.343 228 HB2 ALA 30 2HB ALA 30 0.781 -12.630 0.409 229 HB3 ALA 30 3HB ALA 30 -0.156 -13.928 -0.332 230 H CYS 31 H CYS 31 -0.083 -9.884 -1.646 231 HA CYS 31 HA CYS 31 -1.515 -10.283 -4.173 232 HB2 CYS 31 1HB CYS 31 -1.304 -8.050 -2.634 233 HB3 CYS 31 2HB CYS 31 0.016 -7.792 -3.770 234 H LYS 32 H LYS 32 -0.459 -11.127 -5.830 235 HA LYS 32 HA LYS 32 2.338 -10.423 -6.278 236 HB2 LYS 32 1HB LYS 32 3.150 -12.611 -6.379 237 HB3 LYS 32 2HB LYS 32 2.113 -12.628 -4.959 238 HG2 LYS 32 1HG LYS 32 0.340 -13.376 -6.836 239 HG3 LYS 32 2HG LYS 32 1.826 -14.024 -7.535 240 HD2 LYS 32 1HD LYS 32 1.407 -14.509 -4.649 241 HD3 LYS 32 2HD LYS 32 0.326 -15.361 -5.753 242 HE2 LYS 32 1HE LYS 32 2.106 -16.465 -6.814 243 HE3 LYS 32 2HE LYS 32 3.304 -15.358 -6.144 244 HZ1 LYS 32 3HZ LYS 32 2.984 -16.294 -3.985 245 HZ2 LYS 32 1HZ LYS 32 3.267 -17.566 -5.065 246 HZ3 LYS 32 2HZ LYS 32 1.697 -17.253 -4.519 247 H TYR 33 H TYR 33 3.019 -10.648 -8.440 248 HA TYR 33 HA TYR 33 1.080 -10.108 -10.383 249 HB2 TYR 33 1HB TYR 33 2.852 -10.132 -11.970 250 HB3 TYR 33 2HB TYR 33 3.544 -9.528 -10.469 251 HD1 TYR 33 HD2 TYR 33 4.798 -11.220 -8.991 252 HD2 TYR 33 HD1 TYR 33 3.826 -11.947 -13.069 253 HE1 TYR 33 HE2 TYR 33 6.538 -12.955 -9.090 254 HE2 TYR 33 HE1 TYR 33 5.562 -13.685 -13.179 255 HH TYR 33 HH TYR 33 7.636 -14.293 -12.007 256 H GLN 34 H GLN 34 0.291 -11.327 -12.124 257 HA GLN 34 HA GLN 34 -0.273 -14.054 -11.504 258 HB2 GLN 34 1HB GLN 34 -1.578 -14.063 -13.540 259 HB3 GLN 34 2HB GLN 34 -1.874 -12.564 -12.669 260 HG2 GLN 34 1HG GLN 34 -0.299 -11.411 -14.165 261 HG3 GLN 34 2HG GLN 34 -0.084 -12.913 -15.063 262 HE21 GLN 34 2HE2 GLN 34 -0.853 -11.986 -16.959 263 HE22 GLN 34 1HE2 GLN 34 -2.529 -11.642 -17.200 264 H ILE 35 H ILE 35 0.587 -15.897 -12.299 265 HA ILE 35 HA ILE 35 3.105 -15.683 -13.716 266 HB ILE 35 HB ILE 35 1.675 -18.153 -12.729 267 HG12 ILE 35 1HG1 ILE 35 3.980 -16.669 -11.453 268 HG13 ILE 35 2HG1 ILE 35 2.302 -16.488 -10.953 269 HG21 ILE 35 1HG2 ILE 35 3.205 -19.255 -13.906 270 HG22 ILE 35 2HG2 ILE 35 4.036 -17.761 -14.333 271 HG23 ILE 35 3HG2 ILE 35 4.427 -18.586 -12.825 272 HD11 ILE 35 3HD1 ILE 35 2.371 -18.342 -9.739 273 HD12 ILE 35 1HD1 ILE 35 3.127 -19.263 -11.040 274 HD13 ILE 35 2HD1 ILE 35 4.121 -18.291 -9.954 Start of MODEL 18 1 H1 GLU 1 H GLU 1 1.723 0.145 0.772 2 HA GLU 1 HA GLU 1 2.266 0.912 -1.883 3 HB2 GLU 1 1HB GLU 1 3.720 -0.694 0.181 4 HB3 GLU 1 2HB GLU 1 4.321 -0.673 -1.471 5 HG2 GLU 1 1HG GLU 1 5.513 1.034 -0.508 6 HG3 GLU 1 2HG GLU 1 4.159 1.902 -1.230 7 H CYS 2 H CYS 2 3.098 -0.576 -3.587 8 HA CYS 2 HA CYS 2 1.125 -2.579 -4.146 9 HB2 CYS 2 1HB CYS 2 3.633 -2.218 -5.756 10 HB3 CYS 2 2HB CYS 2 2.019 -2.659 -6.303 11 H LEU 3 H LEU 3 1.232 -4.707 -3.819 12 HA LEU 3 HA LEU 3 3.791 -5.829 -2.892 13 HB2 LEU 3 1HB LEU 3 1.316 -7.353 -2.432 14 HB3 LEU 3 2HB LEU 3 2.696 -7.081 -1.370 15 HG LEU 3 HG LEU 3 0.783 -4.845 -1.876 16 HD11 LEU 3 1HD1 LEU 3 -0.698 -5.576 -0.166 17 HD12 LEU 3 2HD1 LEU 3 0.317 -6.968 0.206 18 HD13 LEU 3 3HD1 LEU 3 -0.550 -6.894 -1.328 19 HD21 LEU 3 3HD2 LEU 3 1.813 -5.388 0.806 20 HD22 LEU 3 1HD2 LEU 3 1.806 -3.892 -0.129 21 HD23 LEU 3 2HD2 LEU 3 3.068 -5.095 -0.399 22 H GLU 4 H GLU 4 4.600 -6.344 -4.939 23 HA GLU 4 HA GLU 4 3.044 -8.154 -6.617 24 HB2 GLU 4 1HB GLU 4 4.619 -7.737 -8.331 25 HB3 GLU 4 2HB GLU 4 4.356 -6.187 -7.543 26 HG2 GLU 4 1HG GLU 4 6.427 -6.622 -6.204 27 HG3 GLU 4 2HG GLU 4 6.715 -8.022 -7.234 28 H ILE 5 H ILE 5 5.510 -8.241 -4.254 29 HA ILE 5 HA ILE 5 6.751 -10.680 -5.113 30 HB ILE 5 HB ILE 5 8.016 -9.112 -3.758 31 HG12 ILE 5 1HG1 ILE 5 8.937 -10.664 -2.141 32 HG13 ILE 5 2HG1 ILE 5 7.456 -11.616 -2.156 33 HG21 ILE 5 1HG2 ILE 5 6.365 -8.064 -2.434 34 HG22 ILE 5 2HG2 ILE 5 5.855 -9.596 -1.726 35 HG23 ILE 5 3HG2 ILE 5 7.425 -8.911 -1.307 36 HD11 ILE 5 3HD1 ILE 5 9.224 -12.688 -3.432 37 HD12 ILE 5 1HD1 ILE 5 7.873 -12.237 -4.471 38 HD13 ILE 5 2HD1 ILE 5 9.347 -11.268 -4.470 39 H PHE 6 H PHE 6 3.886 -9.891 -3.449 40 HA PHE 6 HA PHE 6 2.219 -11.578 -3.136 41 HB2 PHE 6 1HB PHE 6 2.733 -13.792 -2.858 42 HB3 PHE 6 2HB PHE 6 4.215 -13.269 -3.653 43 HD1 PHE 6 HD2 PHE 6 5.461 -11.822 -1.327 44 HD2 PHE 6 HD1 PHE 6 3.530 -15.605 -1.604 45 HE1 PHE 6 HE2 PHE 6 6.773 -12.628 0.591 46 HE2 PHE 6 HE1 PHE 6 4.838 -16.417 0.315 47 HZ PHE 6 HZ PHE 6 6.463 -14.929 1.414 48 H LYS 7 H LYS 7 3.396 -9.432 -1.546 49 HA LYS 7 HA LYS 7 3.550 -10.291 1.176 50 HB2 LYS 7 1HB LYS 7 4.357 -8.059 -0.125 51 HB3 LYS 7 2HB LYS 7 2.873 -7.468 0.610 52 HG2 LYS 7 1HG LYS 7 4.685 -8.974 2.381 53 HG3 LYS 7 2HG LYS 7 5.260 -7.401 1.822 54 HD2 LYS 7 1HD LYS 7 2.698 -6.815 2.515 55 HD3 LYS 7 2HD LYS 7 3.093 -8.070 3.692 56 HE2 LYS 7 1HE LYS 7 4.970 -5.790 3.188 57 HE3 LYS 7 2HE LYS 7 3.592 -5.599 4.271 58 HZ1 LYS 7 3HZ LYS 7 4.564 -6.829 5.846 59 HZ2 LYS 7 1HZ LYS 7 6.004 -6.528 5.009 60 HZ3 LYS 7 2HZ LYS 7 5.162 -7.972 4.751 61 H ALA 8 H ALA 8 2.034 -10.121 2.803 62 HA ALA 8 HA ALA 8 -0.598 -10.694 2.284 63 HB1 ALA 8 1HB ALA 8 0.851 -10.585 4.524 64 HB2 ALA 8 2HB ALA 8 -0.092 -9.108 4.729 65 HB3 ALA 8 3HB ALA 8 -0.912 -10.656 4.528 66 H CYS 9 H CYS 9 -2.032 -9.556 1.164 67 HA CYS 9 HA CYS 9 -1.898 -6.656 1.095 68 HB2 CYS 9 1HB CYS 9 -2.824 -6.871 -0.933 69 HB3 CYS 9 2HB CYS 9 -2.674 -8.614 -0.734 70 H ASN 10 H ASN 10 -3.610 -5.275 1.672 71 HA ASN 10 HA ASN 10 -5.229 -6.299 3.869 72 HB2 ASN 10 1HB ASN 10 -4.269 -3.624 3.003 73 HB3 ASN 10 2HB ASN 10 -5.813 -3.677 3.850 74 HD21 ASN 10 2HD2 ASN 10 -2.971 -2.774 4.504 75 HD22 ASN 10 1HD2 ASN 10 -2.676 -3.464 6.060 76 HA PRO 11 HA PRO 11 -9.002 -6.460 1.624 77 HB2 PRO 11 1HB PRO 11 -10.773 -5.908 3.606 78 HB3 PRO 11 2HB PRO 11 -9.913 -7.447 3.488 79 HG2 PRO 11 1HG PRO 11 -9.311 -5.069 5.203 80 HG3 PRO 11 2HG PRO 11 -9.276 -6.791 5.626 81 HD2 PRO 11 1HD PRO 11 -7.034 -5.385 5.055 82 HD3 PRO 11 2HD PRO 11 -7.202 -7.111 4.674 83 H SER 12 H SER 12 -8.623 -3.656 3.777 84 HA SER 12 HA SER 12 -10.257 -2.064 1.924 85 HB2 SER 12 1HB SER 12 -10.964 -2.085 4.303 86 HB3 SER 12 2HB SER 12 -9.403 -1.400 4.753 87 HG SER 12 HG SER 12 -11.527 -0.218 3.339 88 H ASN 13 H ASN 13 -7.196 -2.018 3.716 89 HA ASN 13 HA ASN 13 -6.250 0.413 2.621 90 HB2 ASN 13 1HB ASN 13 -5.428 -1.118 4.663 91 HB3 ASN 13 2HB ASN 13 -4.288 -1.667 3.437 92 HD21 ASN 13 2HD2 ASN 13 -2.526 -0.502 3.113 93 HD22 ASN 13 1HD2 ASN 13 -2.260 1.103 3.694 94 H ASP 14 H ASP 14 -6.489 0.395 0.394 95 HA ASP 14 HA ASP 14 -5.772 -1.616 -1.372 96 HB2 ASP 14 1HB ASP 14 -7.021 0.191 -2.244 97 HB3 ASP 14 2HB ASP 14 -5.854 1.380 -1.671 98 H GLN 15 H GLN 15 -3.866 -2.642 -1.249 99 HA GLN 15 HA GLN 15 -1.413 -1.071 -0.947 100 HB2 GLN 15 1HB GLN 15 -2.086 -3.971 -0.565 101 HB3 GLN 15 2HB GLN 15 -0.414 -3.466 -0.772 102 HG2 GLN 15 1HG GLN 15 -1.052 -1.766 1.137 103 HG3 GLN 15 2HG GLN 15 -2.279 -2.983 1.485 104 HE21 GLN 15 2HE2 GLN 15 -1.637 -5.042 2.145 105 HE22 GLN 15 1HE2 GLN 15 -0.050 -5.351 2.754 106 H CYS 16 H CYS 16 -2.337 -3.965 -2.820 107 HA CYS 16 HA CYS 16 -0.404 -4.024 -4.697 108 HB2 CYS 16 1HB CYS 16 -3.263 -4.310 -5.582 109 HB3 CYS 16 2HB CYS 16 -1.853 -5.234 -6.091 110 H CYS 17 H CYS 17 0.010 -3.112 -6.721 111 HA CYS 17 HA CYS 17 -0.514 -0.344 -6.947 112 HB2 CYS 17 1HB CYS 17 1.027 -2.359 -8.385 113 HB3 CYS 17 2HB CYS 17 0.315 -1.164 -9.465 114 H LYS 18 H LYS 18 -1.140 0.332 -9.427 115 HA LYS 18 HA LYS 18 -3.942 -0.443 -9.629 116 HB2 LYS 18 1HB LYS 18 -2.317 1.882 -10.431 117 HB3 LYS 18 2HB LYS 18 -3.583 1.437 -11.568 118 HG2 LYS 18 1HG LYS 18 -4.323 3.128 -9.958 119 HG3 LYS 18 2HG LYS 18 -5.258 1.636 -9.837 120 HD2 LYS 18 1HD LYS 18 -2.951 1.572 -8.098 121 HD3 LYS 18 2HD LYS 18 -3.961 2.981 -7.768 122 HE2 LYS 18 1HE LYS 18 -5.413 0.452 -8.158 123 HE3 LYS 18 2HE LYS 18 -4.382 0.512 -6.730 124 HZ1 LYS 18 3HZ LYS 18 -6.794 2.034 -7.346 125 HZ2 LYS 18 1HZ LYS 18 -5.579 2.840 -6.488 126 HZ3 LYS 18 2HZ LYS 18 -6.251 1.418 -5.867 127 H SER 19 H SER 19 -1.853 0.512 -12.306 128 HA SER 19 HA SER 19 -2.988 -1.266 -14.135 129 HB2 SER 19 1HB SER 19 -0.697 -0.833 -15.366 130 HB3 SER 19 2HB SER 19 -1.862 0.476 -15.167 131 HG SER 19 HG SER 19 0.555 0.017 -13.809 132 H SER 20 H SER 20 -0.651 -1.793 -11.689 133 HA SER 20 HA SER 20 0.860 -3.886 -12.716 134 HB2 SER 20 1HB SER 20 1.387 -4.456 -10.449 135 HB3 SER 20 2HB SER 20 1.200 -2.704 -10.507 136 HG SER 20 HG SER 20 -1.148 -3.412 -9.946 137 H LYS 21 H LYS 21 0.681 -6.151 -12.556 138 HA LYS 21 HA LYS 21 -2.043 -7.110 -12.823 139 HB2 LYS 21 1HB LYS 21 0.671 -8.195 -13.428 140 HB3 LYS 21 2HB LYS 21 -0.652 -9.333 -13.205 141 HG2 LYS 21 1HG LYS 21 -0.697 -8.998 -15.475 142 HG3 LYS 21 2HG LYS 21 -1.890 -7.821 -14.919 143 HD2 LYS 21 1HD LYS 21 -0.105 -6.088 -14.952 144 HD3 LYS 21 2HD LYS 21 0.986 -7.283 -15.658 145 HE2 LYS 21 1HE LYS 21 0.215 -6.224 -17.545 146 HE3 LYS 21 2HE LYS 21 -0.935 -7.554 -17.414 147 HZ1 LYS 21 3HZ LYS 21 -1.419 -4.764 -17.325 148 HZ2 LYS 21 1HZ LYS 21 -1.977 -5.493 -15.903 149 HZ3 LYS 21 2HZ LYS 21 -2.531 -6.037 -17.406 150 H LEU 22 H LEU 22 0.484 -7.112 -10.477 151 HA LEU 22 HA LEU 22 0.179 -9.316 -8.959 152 HB2 LEU 22 1HB LEU 22 0.101 -7.286 -7.057 153 HB3 LEU 22 2HB LEU 22 1.531 -8.084 -7.709 154 HG LEU 22 HG LEU 22 0.408 -5.749 -9.179 155 HD11 LEU 22 1HD1 LEU 22 2.112 -5.523 -6.703 156 HD12 LEU 22 2HD1 LEU 22 0.432 -5.008 -6.852 157 HD13 LEU 22 3HD1 LEU 22 1.687 -4.205 -7.796 158 HD21 LEU 22 3HD2 LEU 22 2.237 -6.236 -10.354 159 HD22 LEU 22 1HD2 LEU 22 2.840 -7.326 -9.105 160 HD23 LEU 22 2HD2 LEU 22 3.164 -5.596 -8.996 161 H VAL 23 H VAL 23 -1.655 -10.380 -8.564 162 HA VAL 23 HA VAL 23 -4.039 -8.873 -7.753 163 HB VAL 23 HB VAL 23 -4.343 -10.437 -9.613 164 HG11 VAL 23 1HG1 VAL 23 -4.273 -12.909 -9.059 165 HG12 VAL 23 2HG1 VAL 23 -2.713 -12.101 -9.227 166 HG13 VAL 23 3HG1 VAL 23 -3.352 -12.462 -7.623 167 HG21 VAL 23 3HG2 VAL 23 -5.726 -11.386 -7.105 168 HG22 VAL 23 1HG2 VAL 23 -6.200 -9.983 -8.062 169 HG23 VAL 23 2HG2 VAL 23 -6.295 -11.600 -8.760 170 H CYS 24 H CYS 24 -5.190 -9.389 -5.881 171 HA CYS 24 HA CYS 24 -3.714 -11.019 -3.918 172 HB2 CYS 24 1HB CYS 24 -3.480 -8.933 -2.981 173 HB3 CYS 24 2HB CYS 24 -4.974 -8.329 -3.690 174 H SER 25 H SER 25 -6.801 -10.147 -5.285 175 HA SER 25 HA SER 25 -8.393 -11.608 -3.417 176 HB2 SER 25 1HB SER 25 -9.212 -9.708 -4.867 177 HB3 SER 25 2HB SER 25 -9.159 -10.821 -6.234 178 HG SER 25 HG SER 25 -11.192 -11.008 -5.495 179 H ARG 26 H ARG 26 -7.544 -12.225 -6.828 180 HA ARG 26 HA ARG 26 -8.649 -14.708 -7.148 181 HB2 ARG 26 1HB ARG 26 -6.108 -13.532 -8.252 182 HB3 ARG 26 2HB ARG 26 -6.655 -15.138 -8.715 183 HG2 ARG 26 1HG ARG 26 -8.751 -14.180 -9.543 184 HG3 ARG 26 2HG ARG 26 -8.182 -12.570 -9.095 185 HD2 ARG 26 1HD ARG 26 -6.348 -12.742 -10.658 186 HD3 ARG 26 2HD ARG 26 -6.788 -14.406 -11.039 187 HE ARG 26 HE ARG 26 -8.911 -12.550 -11.538 188 HH11 ARG 26 1HH1 ARG 26 -5.993 -13.936 -12.838 189 HH12 ARG 26 2HH1 ARG 26 -6.440 -13.655 -14.488 190 HH21 ARG 26 1HH2 ARG 26 -9.510 -12.174 -13.707 191 HH22 ARG 26 2HH2 ARG 26 -8.440 -12.652 -14.981 192 H LYS 27 H LYS 27 -5.307 -14.082 -6.069 193 HA LYS 27 HA LYS 27 -5.068 -16.844 -5.177 194 HB2 LYS 27 1HB LYS 27 -2.987 -14.675 -4.934 195 HB3 LYS 27 2HB LYS 27 -2.740 -16.416 -4.913 196 HG2 LYS 27 1HG LYS 27 -3.689 -16.349 -7.313 197 HG3 LYS 27 2HG LYS 27 -3.328 -14.623 -7.231 198 HD2 LYS 27 1HD LYS 27 -1.132 -14.972 -7.472 199 HD3 LYS 27 2HD LYS 27 -1.129 -16.276 -6.282 200 HE2 LYS 27 1HE LYS 27 -0.611 -17.514 -8.108 201 HE3 LYS 27 2HE LYS 27 -2.364 -17.536 -8.289 202 HZ1 LYS 27 3HZ LYS 27 -1.693 -15.272 -9.571 203 HZ2 LYS 27 1HZ LYS 27 -1.920 -16.769 -10.327 204 HZ3 LYS 27 2HZ LYS 27 -0.361 -16.253 -9.922 205 H THR 28 H THR 28 -3.382 -16.628 -3.033 206 HA THR 28 HA THR 28 -5.086 -16.389 -0.868 207 HB THR 28 HB THR 28 -2.264 -15.737 -0.291 208 HG1 THR 28 HG1 THR 28 -2.897 -18.302 -1.337 209 HG21 THR 28 3HG2 THR 28 -4.468 -17.321 0.809 210 HG22 THR 28 1HG2 THR 28 -3.143 -16.501 1.633 211 HG23 THR 28 2HG2 THR 28 -2.892 -18.101 0.935 212 H ARG 29 H ARG 29 -4.516 -14.860 1.070 213 HA ARG 29 HA ARG 29 -5.449 -12.325 0.491 214 HB2 ARG 29 1HB ARG 29 -3.944 -13.470 2.816 215 HB3 ARG 29 2HB ARG 29 -4.280 -11.745 2.760 216 HG2 ARG 29 1HG ARG 29 -6.074 -12.522 3.956 217 HG3 ARG 29 2HG ARG 29 -6.728 -12.518 2.317 218 HD2 ARG 29 1HD ARG 29 -7.297 -14.586 3.462 219 HD3 ARG 29 2HD ARG 29 -6.210 -14.903 2.110 220 HE ARG 29 HE ARG 29 -4.571 -14.629 4.286 221 HH11 ARG 29 1HH1 ARG 29 -7.269 -16.662 3.445 222 HH12 ARG 29 2HH1 ARG 29 -6.725 -18.001 4.401 223 HH21 ARG 29 1HH2 ARG 29 -3.845 -16.385 5.547 224 HH22 ARG 29 2HH2 ARG 29 -4.778 -17.842 5.597 225 H ALA 30 H ALA 30 -2.296 -13.593 0.077 226 HA ALA 30 HA ALA 30 -0.914 -11.070 0.150 227 HB1 ALA 30 1HB ALA 30 0.752 -12.779 -1.190 228 HB2 ALA 30 2HB ALA 30 0.697 -12.566 0.560 229 HB3 ALA 30 3HB ALA 30 -0.202 -13.880 -0.196 230 H CYS 31 H CYS 31 -0.096 -9.906 -1.595 231 HA CYS 31 HA CYS 31 -1.549 -10.325 -4.106 232 HB2 CYS 31 1HB CYS 31 -1.293 -8.066 -2.640 233 HB3 CYS 31 2HB CYS 31 0.071 -7.876 -3.738 234 H LYS 32 H LYS 32 -0.523 -11.283 -5.719 235 HA LYS 32 HA LYS 32 2.302 -10.688 -6.183 236 HB2 LYS 32 1HB LYS 32 2.597 -13.189 -6.726 237 HB3 LYS 32 2HB LYS 32 2.586 -12.706 -5.035 238 HG2 LYS 32 1HG LYS 32 0.391 -13.516 -4.717 239 HG3 LYS 32 2HG LYS 32 0.132 -13.702 -6.453 240 HD2 LYS 32 1HD LYS 32 2.143 -15.256 -4.824 241 HD3 LYS 32 2HD LYS 32 0.552 -15.851 -5.304 242 HE2 LYS 32 1HE LYS 32 1.643 -16.681 -7.082 243 HE3 LYS 32 2HE LYS 32 1.556 -15.029 -7.691 244 HZ1 LYS 32 3HZ LYS 32 3.753 -14.938 -7.669 245 HZ2 LYS 32 1HZ LYS 32 3.836 -16.530 -7.102 246 HZ3 LYS 32 2HZ LYS 32 3.784 -15.243 -6.005 247 H TYR 33 H TYR 33 2.974 -10.936 -8.339 248 HA TYR 33 HA TYR 33 0.990 -10.409 -10.281 249 HB2 TYR 33 1HB TYR 33 2.808 -10.422 -11.890 250 HB3 TYR 33 2HB TYR 33 3.322 -9.585 -10.430 251 HD1 TYR 33 HD1 TYR 33 4.910 -10.675 -8.873 252 HD2 TYR 33 HD2 TYR 33 3.878 -12.436 -12.606 253 HE1 TYR 33 HE1 TYR 33 6.872 -12.149 -8.713 254 HE2 TYR 33 HE2 TYR 33 5.836 -13.916 -12.456 255 HH TYR 33 HH TYR 33 8.045 -13.765 -9.675 256 H GLN 34 H GLN 34 -0.166 -11.723 -11.537 257 HA GLN 34 HA GLN 34 -0.269 -14.488 -11.117 258 HB2 GLN 34 1HB GLN 34 -1.430 -12.610 -13.115 259 HB3 GLN 34 2HB GLN 34 -1.478 -14.328 -13.485 260 HG2 GLN 34 1HG GLN 34 -2.398 -13.474 -10.801 261 HG3 GLN 34 2HG GLN 34 -3.427 -13.101 -12.183 262 HE21 GLN 34 2HE2 GLN 34 -4.379 -14.740 -10.270 263 HE22 GLN 34 1HE2 GLN 34 -4.462 -16.366 -10.848 264 H ILE 35 H ILE 35 0.562 -12.988 -14.238 265 HA ILE 35 HA ILE 35 2.419 -15.221 -14.710 266 HB ILE 35 HB ILE 35 2.245 -14.557 -17.124 267 HG12 ILE 35 1HG1 ILE 35 -0.244 -13.054 -16.401 268 HG13 ILE 35 2HG1 ILE 35 1.306 -12.222 -16.374 269 HG21 ILE 35 1HG2 ILE 35 0.600 -16.061 -17.389 270 HG22 ILE 35 2HG2 ILE 35 0.662 -16.183 -15.632 271 HG23 ILE 35 3HG2 ILE 35 -0.536 -15.142 -16.401 272 HD11 ILE 35 3HD1 ILE 35 1.344 -13.500 -18.799 273 HD12 ILE 35 1HD1 ILE 35 -0.345 -13.026 -18.623 274 HD13 ILE 35 2HD1 ILE 35 0.928 -11.809 -18.523 Start of MODEL 19 1 H1 GLU 1 H GLU 1 1.106 1.682 -0.331 2 HA GLU 1 HA GLU 1 3.242 0.469 -1.380 3 HB2 GLU 1 1HB GLU 1 1.500 -0.352 0.914 4 HB3 GLU 1 2HB GLU 1 2.861 -1.365 0.454 5 HG2 GLU 1 1HG GLU 1 3.487 0.138 2.237 6 HG3 GLU 1 2HG GLU 1 4.377 0.524 0.765 7 H CYS 2 H CYS 2 3.086 -0.479 -3.364 8 HA CYS 2 HA CYS 2 1.109 -2.471 -3.963 9 HB2 CYS 2 1HB CYS 2 3.601 -2.047 -5.583 10 HB3 CYS 2 2HB CYS 2 1.988 -2.493 -6.130 11 H LEU 3 H LEU 3 1.234 -4.611 -3.713 12 HA LEU 3 HA LEU 3 3.802 -5.740 -2.823 13 HB2 LEU 3 1HB LEU 3 1.385 -7.341 -2.405 14 HB3 LEU 3 2HB LEU 3 2.722 -6.996 -1.310 15 HG LEU 3 HG LEU 3 0.706 -4.865 -1.861 16 HD11 LEU 3 1HD1 LEU 3 -0.718 -5.687 -0.084 17 HD12 LEU 3 2HD1 LEU 3 0.310 -7.105 0.118 18 HD13 LEU 3 3HD1 LEU 3 -0.606 -6.885 -1.373 19 HD21 LEU 3 3HD2 LEU 3 1.646 -5.321 0.853 20 HD22 LEU 3 1HD2 LEU 3 1.676 -3.854 -0.126 21 HD23 LEU 3 2HD2 LEU 3 2.962 -5.051 -0.291 22 H GLU 4 H GLU 4 4.618 -6.189 -4.881 23 HA GLU 4 HA GLU 4 3.076 -7.949 -6.622 24 HB2 GLU 4 1HB GLU 4 4.668 -7.480 -8.312 25 HB3 GLU 4 2HB GLU 4 4.379 -5.955 -7.487 26 HG2 GLU 4 1HG GLU 4 6.458 -6.702 -6.068 27 HG3 GLU 4 2HG GLU 4 6.797 -7.681 -7.494 28 H ILE 5 H ILE 5 5.534 -8.105 -4.254 29 HA ILE 5 HA ILE 5 6.784 -10.513 -5.185 30 HB ILE 5 HB ILE 5 8.036 -8.984 -3.773 31 HG12 ILE 5 1HG1 ILE 5 8.959 -10.587 -2.208 32 HG13 ILE 5 2HG1 ILE 5 7.484 -11.546 -2.262 33 HG21 ILE 5 1HG2 ILE 5 6.364 -7.997 -2.421 34 HG22 ILE 5 2HG2 ILE 5 5.879 -9.556 -1.759 35 HG23 ILE 5 3HG2 ILE 5 7.439 -8.861 -1.323 36 HD11 ILE 5 3HD1 ILE 5 9.266 -12.560 -3.569 37 HD12 ILE 5 1HD1 ILE 5 7.911 -12.087 -4.594 38 HD13 ILE 5 2HD1 ILE 5 9.376 -11.105 -4.559 39 H PHE 6 H PHE 6 3.907 -9.786 -3.513 40 HA PHE 6 HA PHE 6 2.244 -11.485 -3.261 41 HB2 PHE 6 1HB PHE 6 2.761 -13.710 -3.025 42 HB3 PHE 6 2HB PHE 6 4.221 -13.159 -3.840 43 HD1 PHE 6 HD2 PHE 6 5.415 -11.726 -1.419 44 HD2 PHE 6 HD1 PHE 6 3.693 -15.586 -1.923 45 HE1 PHE 6 HE2 PHE 6 6.774 -12.573 0.448 46 HE2 PHE 6 HE1 PHE 6 5.048 -16.439 -0.055 47 HZ PHE 6 HZ PHE 6 6.593 -14.932 1.133 48 H LYS 7 H LYS 7 3.495 -9.407 -1.582 49 HA LYS 7 HA LYS 7 3.622 -10.344 1.103 50 HB2 LYS 7 1HB LYS 7 4.373 -8.047 -0.145 51 HB3 LYS 7 2HB LYS 7 2.906 -7.515 0.665 52 HG2 LYS 7 1HG LYS 7 4.503 -7.051 2.244 53 HG3 LYS 7 2HG LYS 7 3.966 -8.655 2.750 54 HD2 LYS 7 1HD LYS 7 5.865 -9.672 1.630 55 HD3 LYS 7 2HD LYS 7 6.382 -8.095 1.028 56 HE2 LYS 7 1HE LYS 7 6.388 -7.450 3.555 57 HE3 LYS 7 2HE LYS 7 6.474 -9.193 3.807 58 HZ1 LYS 7 3HZ LYS 7 8.337 -8.145 1.856 59 HZ2 LYS 7 1HZ LYS 7 8.582 -9.274 3.093 60 HZ3 LYS 7 2HZ LYS 7 8.604 -7.619 3.442 61 H ALA 8 H ALA 8 2.133 -9.953 2.808 62 HA ALA 8 HA ALA 8 -0.494 -10.674 2.312 63 HB1 ALA 8 1HB ALA 8 1.007 -10.358 4.546 64 HB2 ALA 8 2HB ALA 8 -0.114 -9.005 4.699 65 HB3 ALA 8 3HB ALA 8 -0.733 -10.649 4.546 66 H CYS 9 H CYS 9 -2.020 -9.619 1.240 67 HA CYS 9 HA CYS 9 -1.946 -6.708 1.083 68 HB2 CYS 9 1HB CYS 9 -2.779 -7.001 -0.972 69 HB3 CYS 9 2HB CYS 9 -2.645 -8.739 -0.723 70 H ASN 10 H ASN 10 -3.641 -5.371 1.703 71 HA ASN 10 HA ASN 10 -5.371 -6.502 3.769 72 HB2 ASN 10 1HB ASN 10 -4.444 -3.723 3.106 73 HB3 ASN 10 2HB ASN 10 -5.856 -3.968 4.130 74 HD21 ASN 10 2HD2 ASN 10 -4.944 -3.160 5.970 75 HD22 ASN 10 1HD2 ASN 10 -3.658 -3.946 6.815 76 HA PRO 11 HA PRO 11 -9.032 -6.314 1.348 77 HB2 PRO 11 1HB PRO 11 -10.876 -5.849 3.285 78 HB3 PRO 11 2HB PRO 11 -10.073 -7.410 3.078 79 HG2 PRO 11 1HG PRO 11 -9.464 -5.208 5.012 80 HG3 PRO 11 2HG PRO 11 -9.518 -6.958 5.291 81 HD2 PRO 11 1HD PRO 11 -7.196 -5.609 4.944 82 HD3 PRO 11 2HD PRO 11 -7.412 -7.289 4.413 83 H SER 12 H SER 12 -8.875 -3.759 3.835 84 HA SER 12 HA SER 12 -10.367 -1.955 2.102 85 HB2 SER 12 1HB SER 12 -9.453 -1.815 4.969 86 HB3 SER 12 2HB SER 12 -10.077 -0.393 4.133 87 HG SER 12 HG SER 12 -11.983 -1.657 3.691 88 H ASN 13 H ASN 13 -7.275 -1.909 3.877 89 HA ASN 13 HA ASN 13 -6.302 0.445 2.674 90 HB2 ASN 13 1HB ASN 13 -4.615 -1.807 3.772 91 HB3 ASN 13 2HB ASN 13 -4.186 -0.103 3.659 92 HD21 ASN 13 2HD2 ASN 13 -5.152 1.376 5.082 93 HD22 ASN 13 1HD2 ASN 13 -5.869 0.858 6.567 94 H ASP 14 H ASP 14 -6.528 0.374 0.453 95 HA ASP 14 HA ASP 14 -5.822 -1.717 -1.241 96 HB2 ASP 14 1HB ASP 14 -5.901 1.267 -1.681 97 HB3 ASP 14 2HB ASP 14 -5.546 0.129 -2.979 98 H GLN 15 H GLN 15 -3.894 -2.707 -0.952 99 HA GLN 15 HA GLN 15 -1.465 -1.122 -0.711 100 HB2 GLN 15 1HB GLN 15 -1.846 -4.121 -0.680 101 HB3 GLN 15 2HB GLN 15 -0.350 -3.271 -0.315 102 HG2 GLN 15 1HG GLN 15 -1.939 -2.081 1.461 103 HG3 GLN 15 2HG GLN 15 -2.786 -3.621 1.320 104 HE21 GLN 15 2HE2 GLN 15 0.158 -2.041 2.280 105 HE22 GLN 15 1HE2 GLN 15 0.816 -3.364 3.174 106 H CYS 16 H CYS 16 -2.327 -3.983 -2.662 107 HA CYS 16 HA CYS 16 -0.387 -3.950 -4.533 108 HB2 CYS 16 1HB CYS 16 -3.233 -4.282 -5.440 109 HB3 CYS 16 2HB CYS 16 -1.800 -5.164 -5.957 110 H CYS 17 H CYS 17 -0.019 -3.001 -6.559 111 HA CYS 17 HA CYS 17 -0.601 -0.233 -6.713 112 HB2 CYS 17 1HB CYS 17 0.999 -2.173 -8.187 113 HB3 CYS 17 2HB CYS 17 0.255 -0.980 -9.247 114 H LYS 18 H LYS 18 -1.267 0.524 -9.132 115 HA LYS 18 HA LYS 18 -4.029 -0.369 -9.391 116 HB2 LYS 18 1HB LYS 18 -2.607 1.920 -10.761 117 HB3 LYS 18 2HB LYS 18 -4.338 1.614 -10.781 118 HG2 LYS 18 1HG LYS 18 -2.628 2.529 -8.497 119 HG3 LYS 18 2HG LYS 18 -4.039 3.316 -9.209 120 HD2 LYS 18 1HD LYS 18 -5.406 1.367 -8.407 121 HD3 LYS 18 2HD LYS 18 -3.979 0.814 -7.528 122 HE2 LYS 18 1HE LYS 18 -5.187 2.017 -5.936 123 HE3 LYS 18 2HE LYS 18 -3.959 3.157 -6.484 124 HZ1 LYS 18 3HZ LYS 18 -6.314 3.327 -8.072 125 HZ2 LYS 18 1HZ LYS 18 -5.519 4.540 -7.200 126 HZ3 LYS 18 2HZ LYS 18 -6.672 3.566 -6.437 127 H SER 19 H SER 19 -1.869 0.779 -11.951 128 HA SER 19 HA SER 19 -2.944 -0.895 -13.920 129 HB2 SER 19 1HB SER 19 -0.268 0.511 -13.788 130 HB3 SER 19 2HB SER 19 -0.888 -0.290 -15.232 131 HG SER 19 HG SER 19 -1.716 1.629 -15.565 132 H SER 20 H SER 20 -0.670 -1.533 -11.444 133 HA SER 20 HA SER 20 0.881 -3.559 -12.572 134 HB2 SER 20 1HB SER 20 1.427 -4.210 -10.335 135 HB3 SER 20 2HB SER 20 1.210 -2.460 -10.314 136 HG SER 20 HG SER 20 -1.047 -3.017 -9.674 137 H LYS 21 H LYS 21 0.719 -5.829 -12.505 138 HA LYS 21 HA LYS 21 -1.997 -6.798 -12.805 139 HB2 LYS 21 1HB LYS 21 0.660 -8.190 -13.186 140 HB3 LYS 21 2HB LYS 21 -0.908 -8.888 -13.568 141 HG2 LYS 21 1HG LYS 21 -1.246 -7.457 -15.370 142 HG3 LYS 21 2HG LYS 21 -0.029 -6.309 -14.807 143 HD2 LYS 21 1HD LYS 21 0.720 -9.108 -15.583 144 HD3 LYS 21 2HD LYS 21 0.551 -7.839 -16.798 145 HE2 LYS 21 1HE LYS 21 2.263 -7.458 -14.364 146 HE3 LYS 21 2HE LYS 21 2.881 -8.274 -15.799 147 HZ1 LYS 21 3HZ LYS 21 3.284 -5.796 -15.622 148 HZ2 LYS 21 1HZ LYS 21 1.635 -5.595 -15.941 149 HZ3 LYS 21 2HZ LYS 21 2.631 -6.351 -17.080 150 H LEU 22 H LEU 22 0.535 -6.878 -10.464 151 HA LEU 22 HA LEU 22 0.242 -9.141 -9.034 152 HB2 LEU 22 1HB LEU 22 0.167 -7.200 -7.048 153 HB3 LEU 22 2HB LEU 22 1.599 -7.950 -7.750 154 HG LEU 22 HG LEU 22 0.439 -5.565 -9.105 155 HD11 LEU 22 1HD1 LEU 22 2.121 -5.442 -6.606 156 HD12 LEU 22 2HD1 LEU 22 0.451 -4.900 -6.768 157 HD13 LEU 22 3HD1 LEU 22 1.735 -4.077 -7.654 158 HD21 LEU 22 3HD2 LEU 22 2.268 -5.990 -10.305 159 HD22 LEU 22 1HD2 LEU 22 2.902 -7.103 -9.093 160 HD23 LEU 22 2HD2 LEU 22 3.187 -5.370 -8.932 161 H VAL 23 H VAL 23 -1.589 -10.226 -8.677 162 HA VAL 23 HA VAL 23 -3.974 -8.759 -7.798 163 HB VAL 23 HB VAL 23 -4.280 -10.244 -9.723 164 HG11 VAL 23 1HG1 VAL 23 -4.195 -12.729 -9.299 165 HG12 VAL 23 2HG1 VAL 23 -2.631 -11.914 -9.384 166 HG13 VAL 23 3HG1 VAL 23 -3.310 -12.363 -7.819 167 HG21 VAL 23 3HG2 VAL 23 -5.655 -11.272 -7.241 168 HG22 VAL 23 1HG2 VAL 23 -6.144 -9.860 -8.178 169 HG23 VAL 23 2HG2 VAL 23 -6.220 -11.467 -8.900 170 H CYS 24 H CYS 24 -5.107 -9.339 -5.940 171 HA CYS 24 HA CYS 24 -3.634 -11.065 -4.059 172 HB2 CYS 24 1HB CYS 24 -3.371 -9.054 -3.000 173 HB3 CYS 24 2HB CYS 24 -4.818 -8.361 -3.724 174 H SER 25 H SER 25 -6.721 -10.100 -5.361 175 HA SER 25 HA SER 25 -8.322 -11.608 -3.544 176 HB2 SER 25 1HB SER 25 -9.256 -9.714 -4.786 177 HB3 SER 25 2HB SER 25 -8.971 -10.556 -6.309 178 HG SER 25 HG SER 25 -11.075 -10.935 -5.777 179 H ARG 26 H ARG 26 -7.454 -12.133 -6.965 180 HA ARG 26 HA ARG 26 -8.596 -14.571 -7.403 181 HB2 ARG 26 1HB ARG 26 -6.013 -13.391 -8.380 182 HB3 ARG 26 2HB ARG 26 -6.504 -15.005 -8.876 183 HG2 ARG 26 1HG ARG 26 -8.645 -14.009 -9.699 184 HG3 ARG 26 2HG ARG 26 -7.952 -12.418 -9.375 185 HD2 ARG 26 1HD ARG 26 -7.526 -12.790 -11.646 186 HD3 ARG 26 2HD ARG 26 -6.001 -13.165 -10.844 187 HE ARG 26 HE ARG 26 -6.196 -15.299 -11.615 188 HH11 ARG 26 1HH1 ARG 26 -9.354 -13.834 -11.611 189 HH12 ARG 26 2HH1 ARG 26 -10.126 -15.188 -12.367 190 HH21 ARG 26 1HH2 ARG 26 -7.201 -17.088 -12.611 191 HH22 ARG 26 2HH2 ARG 26 -8.901 -17.039 -12.934 192 H LYS 27 H LYS 27 -5.280 -14.087 -6.179 193 HA LYS 27 HA LYS 27 -5.214 -16.878 -5.313 194 HB2 LYS 27 1HB LYS 27 -3.304 -15.280 -6.460 195 HB3 LYS 27 2HB LYS 27 -2.866 -15.202 -4.758 196 HG2 LYS 27 1HG LYS 27 -1.678 -17.039 -5.288 197 HG3 LYS 27 2HG LYS 27 -3.221 -17.844 -4.994 198 HD2 LYS 27 1HD LYS 27 -2.540 -16.812 -7.722 199 HD3 LYS 27 2HD LYS 27 -1.912 -18.367 -7.171 200 HE2 LYS 27 1HE LYS 27 -4.828 -17.593 -7.229 201 HE3 LYS 27 2HE LYS 27 -4.017 -18.570 -8.451 202 HZ1 LYS 27 3HZ LYS 27 -3.376 -19.931 -6.277 203 HZ2 LYS 27 1HZ LYS 27 -4.789 -20.231 -7.158 204 HZ3 LYS 27 2HZ LYS 27 -4.851 -19.286 -5.757 205 H THR 28 H THR 28 -3.510 -16.776 -3.182 206 HA THR 28 HA THR 28 -5.170 -16.388 -1.009 207 HB THR 28 HB THR 28 -2.346 -15.922 -0.373 208 HG1 THR 28 HG1 THR 28 -3.116 -18.253 -1.826 209 HG21 THR 28 3HG2 THR 28 -4.635 -17.298 0.667 210 HG22 THR 28 1HG2 THR 28 -3.113 -16.913 1.470 211 HG23 THR 28 2HG2 THR 28 -3.275 -18.416 0.561 212 H ARG 29 H ARG 29 -4.491 -14.886 0.908 213 HA ARG 29 HA ARG 29 -5.247 -12.302 0.329 214 HB2 ARG 29 1HB ARG 29 -4.145 -11.723 2.555 215 HB3 ARG 29 2HB ARG 29 -5.372 -12.982 2.582 216 HG2 ARG 29 1HG ARG 29 -3.646 -13.782 3.940 217 HG3 ARG 29 2HG ARG 29 -3.453 -14.640 2.410 218 HD2 ARG 29 1HD ARG 29 -1.423 -13.778 2.089 219 HD3 ARG 29 2HD ARG 29 -1.993 -12.143 2.422 220 HE ARG 29 HE ARG 29 -1.826 -13.229 4.884 221 HH11 ARG 29 1HH1 ARG 29 0.402 -13.056 2.215 222 HH12 ARG 29 2HH1 ARG 29 1.811 -13.044 3.222 223 HH21 ARG 29 1HH2 ARG 29 0.022 -13.214 6.221 224 HH22 ARG 29 2HH2 ARG 29 1.594 -13.134 5.501 225 H ALA 30 H ALA 30 -2.181 -13.776 -0.120 226 HA ALA 30 HA ALA 30 -0.594 -11.403 -0.072 227 HB1 ALA 30 1HB ALA 30 0.908 -13.065 -1.534 228 HB2 ALA 30 2HB ALA 30 0.789 -13.169 0.223 229 HB3 ALA 30 3HB ALA 30 -0.179 -14.239 -0.791 230 H CYS 31 H CYS 31 0.016 -10.067 -1.710 231 HA CYS 31 HA CYS 31 -1.476 -10.335 -4.219 232 HB2 CYS 31 1HB CYS 31 -1.294 -8.194 -2.602 233 HB3 CYS 31 2HB CYS 31 0.084 -7.876 -3.650 234 H LYS 32 H LYS 32 -0.447 -11.180 -5.893 235 HA LYS 32 HA LYS 32 2.299 -10.384 -6.454 236 HB2 LYS 32 1HB LYS 32 3.182 -12.561 -6.609 237 HB3 LYS 32 2HB LYS 32 2.287 -12.547 -5.095 238 HG2 LYS 32 1HG LYS 32 0.424 -13.383 -6.962 239 HG3 LYS 32 2HG LYS 32 1.919 -14.183 -7.452 240 HD2 LYS 32 1HD LYS 32 1.362 -14.225 -4.563 241 HD3 LYS 32 2HD LYS 32 0.222 -15.131 -5.561 242 HE2 LYS 32 1HE LYS 32 2.072 -16.541 -4.801 243 HE3 LYS 32 2HE LYS 32 2.061 -16.377 -6.556 244 HZ1 LYS 32 3HZ LYS 32 3.757 -14.595 -6.274 245 HZ2 LYS 32 1HZ LYS 32 4.287 -16.136 -5.819 246 HZ3 LYS 32 2HZ LYS 32 3.857 -15.006 -4.636 247 H TYR 33 H TYR 33 2.899 -10.611 -8.638 248 HA TYR 33 HA TYR 33 0.816 -10.246 -10.497 249 HB2 TYR 33 1HB TYR 33 2.509 -10.061 -12.149 250 HB3 TYR 33 2HB TYR 33 3.209 -9.408 -10.672 251 HD1 TYR 33 HD1 TYR 33 4.745 -10.918 -9.309 252 HD2 TYR 33 HD2 TYR 33 3.558 -11.819 -13.294 253 HE1 TYR 33 HE1 TYR 33 6.643 -12.469 -9.517 254 HE2 TYR 33 HE2 TYR 33 5.453 -13.372 -13.513 255 HH TYR 33 HH TYR 33 8.045 -13.386 -11.627 256 H GLN 34 H GLN 34 -0.162 -11.587 -11.930 257 HA GLN 34 HA GLN 34 -0.438 -14.288 -11.378 258 HB2 GLN 34 1HB GLN 34 -1.636 -14.472 -13.449 259 HB3 GLN 34 2HB GLN 34 -2.001 -12.902 -12.746 260 HG2 GLN 34 1HG GLN 34 0.038 -12.179 -14.288 261 HG3 GLN 34 2HG GLN 34 -0.504 -13.584 -15.204 262 HE21 GLN 34 2HE2 GLN 34 -0.938 -11.940 -16.846 263 HE22 GLN 34 1HE2 GLN 34 -2.451 -11.108 -16.808 264 H ILE 35 H ILE 35 0.284 -16.179 -12.437 265 HA ILE 35 HA ILE 35 3.048 -16.132 -13.135 266 HB ILE 35 HB ILE 35 2.979 -18.454 -13.168 267 HG12 ILE 35 1HG1 ILE 35 1.335 -18.784 -14.909 268 HG13 ILE 35 2HG1 ILE 35 0.876 -19.755 -13.514 269 HG21 ILE 35 1HG2 ILE 35 0.612 -17.808 -11.423 270 HG22 ILE 35 2HG2 ILE 35 1.777 -19.114 -11.220 271 HG23 ILE 35 3HG2 ILE 35 2.280 -17.440 -10.986 272 HD11 ILE 35 3HD1 ILE 35 -0.322 -17.127 -14.353 273 HD12 ILE 35 1HD1 ILE 35 -1.072 -18.720 -14.453 274 HD13 ILE 35 2HD1 ILE 35 -0.737 -18.000 -12.878 Start of MODEL 20 1 H1 GLU 1 H GLU 1 2.377 1.396 -2.693 2 HA GLU 1 HA GLU 1 2.840 -0.305 -0.331 3 HB2 GLU 1 1HB GLU 1 0.341 -0.228 -0.011 4 HB3 GLU 1 2HB GLU 1 1.184 1.282 0.303 5 HG2 GLU 1 1HG GLU 1 0.088 0.835 -2.417 6 HG3 GLU 1 2HG GLU 1 -1.039 1.191 -1.109 7 H CYS 2 H CYS 2 2.987 -0.544 -3.439 8 HA CYS 2 HA CYS 2 1.061 -2.571 -4.066 9 HB2 CYS 2 1HB CYS 2 3.598 -2.109 -5.612 10 HB3 CYS 2 2HB CYS 2 2.022 -2.623 -6.206 11 H LEU 3 H LEU 3 1.200 -4.705 -3.787 12 HA LEU 3 HA LEU 3 3.756 -5.800 -2.820 13 HB2 LEU 3 1HB LEU 3 1.281 -7.360 -2.456 14 HB3 LEU 3 2HB LEU 3 2.645 -7.125 -1.365 15 HG LEU 3 HG LEU 3 0.744 -4.869 -1.823 16 HD11 LEU 3 1HD1 LEU 3 -0.989 -5.813 -0.802 17 HD12 LEU 3 2HD1 LEU 3 0.033 -6.476 0.473 18 HD13 LEU 3 3HD1 LEU 3 -0.181 -7.363 -1.036 19 HD21 LEU 3 3HD2 LEU 3 1.710 -5.498 0.859 20 HD22 LEU 3 1HD2 LEU 3 1.754 -3.980 -0.038 21 HD23 LEU 3 2HD2 LEU 3 3.001 -5.198 -0.305 22 H GLU 4 H GLU 4 4.624 -6.259 -4.855 23 HA GLU 4 HA GLU 4 3.144 -8.059 -6.610 24 HB2 GLU 4 1HB GLU 4 4.829 -7.625 -8.252 25 HB3 GLU 4 2HB GLU 4 4.391 -6.087 -7.521 26 HG2 GLU 4 1HG GLU 4 6.481 -6.916 -5.957 27 HG3 GLU 4 2HG GLU 4 6.943 -7.484 -7.560 28 H ILE 5 H ILE 5 5.549 -8.155 -4.186 29 HA ILE 5 HA ILE 5 6.844 -10.562 -5.065 30 HB ILE 5 HB ILE 5 8.069 -9.004 -3.666 31 HG12 ILE 5 1HG1 ILE 5 8.968 -10.566 -2.043 32 HG13 ILE 5 2HG1 ILE 5 7.497 -11.531 -2.104 33 HG21 ILE 5 1HG2 ILE 5 6.380 -7.985 -2.365 34 HG22 ILE 5 2HG2 ILE 5 5.875 -9.529 -1.679 35 HG23 ILE 5 3HG2 ILE 5 7.429 -8.830 -1.226 36 HD11 ILE 5 3HD1 ILE 5 9.299 -12.574 -3.352 37 HD12 ILE 5 1HD1 ILE 5 7.972 -12.116 -4.419 38 HD13 ILE 5 2HD1 ILE 5 9.440 -11.139 -4.367 39 H PHE 6 H PHE 6 3.943 -9.833 -3.432 40 HA PHE 6 HA PHE 6 2.291 -11.545 -3.175 41 HB2 PHE 6 1HB PHE 6 2.827 -13.758 -2.921 42 HB3 PHE 6 2HB PHE 6 4.311 -13.204 -3.691 43 HD1 PHE 6 HD2 PHE 6 5.495 -11.771 -1.315 44 HD2 PHE 6 HD1 PHE 6 3.651 -15.587 -1.701 45 HE1 PHE 6 HE2 PHE 6 6.797 -12.590 0.606 46 HE2 PHE 6 HE1 PHE 6 4.948 -16.412 0.220 47 HZ PHE 6 HZ PHE 6 6.525 -14.914 1.375 48 H LYS 7 H LYS 7 3.424 -9.413 -1.530 49 HA LYS 7 HA LYS 7 3.526 -10.327 1.180 50 HB2 LYS 7 1HB LYS 7 4.352 -8.062 -0.080 51 HB3 LYS 7 2HB LYS 7 2.877 -7.491 0.689 52 HG2 LYS 7 1HG LYS 7 4.383 -7.047 2.336 53 HG3 LYS 7 2HG LYS 7 3.910 -8.685 2.795 54 HD2 LYS 7 1HD LYS 7 5.870 -9.595 1.711 55 HD3 LYS 7 2HD LYS 7 6.315 -7.997 1.106 56 HE2 LYS 7 1HE LYS 7 6.011 -8.550 4.042 57 HE3 LYS 7 2HE LYS 7 7.522 -8.871 3.191 58 HZ1 LYS 7 3HZ LYS 7 6.691 -6.466 4.251 59 HZ2 LYS 7 1HZ LYS 7 6.555 -6.277 2.576 60 HZ3 LYS 7 2HZ LYS 7 8.035 -6.730 3.258 61 H ALA 8 H ALA 8 1.962 -10.294 2.738 62 HA ALA 8 HA ALA 8 -0.656 -10.791 2.151 63 HB1 ALA 8 1HB ALA 8 -0.478 -11.248 4.325 64 HB2 ALA 8 2HB ALA 8 0.835 -10.090 4.543 65 HB3 ALA 8 3HB ALA 8 -0.841 -9.545 4.605 66 H CYS 9 H CYS 9 -2.096 -9.614 1.084 67 HA CYS 9 HA CYS 9 -1.931 -6.709 1.107 68 HB2 CYS 9 1HB CYS 9 -2.762 -6.864 -0.964 69 HB3 CYS 9 2HB CYS 9 -2.695 -8.616 -0.804 70 H ASN 10 H ASN 10 -3.606 -5.341 1.750 71 HA ASN 10 HA ASN 10 -5.279 -6.426 3.859 72 HB2 ASN 10 1HB ASN 10 -4.392 -3.708 3.023 73 HB3 ASN 10 2HB ASN 10 -5.912 -3.833 3.904 74 HD21 ASN 10 2HD2 ASN 10 -5.281 -2.934 5.789 75 HD22 ASN 10 1HD2 ASN 10 -4.075 -3.606 6.828 76 HA PRO 11 HA PRO 11 -9.016 -6.625 1.557 77 HB2 PRO 11 1HB PRO 11 -10.825 -6.127 3.518 78 HB3 PRO 11 2HB PRO 11 -9.937 -7.650 3.395 79 HG2 PRO 11 1HG PRO 11 -9.403 -5.281 5.146 80 HG3 PRO 11 2HG PRO 11 -9.344 -7.007 5.550 81 HD2 PRO 11 1HD PRO 11 -7.118 -5.556 5.029 82 HD3 PRO 11 2HD PRO 11 -7.250 -7.280 4.627 83 H SER 12 H SER 12 -8.845 -3.869 3.810 84 HA SER 12 HA SER 12 -10.450 -2.279 1.942 85 HB2 SER 12 1HB SER 12 -9.583 -1.521 4.737 86 HB3 SER 12 2HB SER 12 -10.832 -0.753 3.758 87 HG SER 12 HG SER 12 -12.175 -2.149 4.540 88 H ASN 13 H ASN 13 -7.378 -2.206 3.708 89 HA ASN 13 HA ASN 13 -6.496 0.256 2.595 90 HB2 ASN 13 1HB ASN 13 -5.672 -1.171 4.698 91 HB3 ASN 13 2HB ASN 13 -4.506 -1.758 3.516 92 HD21 ASN 13 2HD2 ASN 13 -2.714 -0.634 3.312 93 HD22 ASN 13 1HD2 ASN 13 -2.491 1.016 3.771 94 H ASP 14 H ASP 14 -6.711 0.155 0.363 95 HA ASP 14 HA ASP 14 -5.895 -1.875 -1.332 96 HB2 ASP 14 1HB ASP 14 -7.134 0.390 -1.801 97 HB3 ASP 14 2HB ASP 14 -5.511 0.983 -2.144 98 H GLN 15 H GLN 15 -3.967 -2.834 -1.296 99 HA GLN 15 HA GLN 15 -1.563 -1.200 -0.916 100 HB2 GLN 15 1HB GLN 15 -2.156 -4.121 -0.562 101 HB3 GLN 15 2HB GLN 15 -0.498 -3.563 -0.736 102 HG2 GLN 15 1HG GLN 15 -1.162 -1.913 1.174 103 HG3 GLN 15 2HG GLN 15 -2.434 -3.094 1.477 104 HE21 GLN 15 2HE2 GLN 15 0.897 -2.363 1.752 105 HE22 GLN 15 1HE2 GLN 15 1.380 -3.810 2.564 106 H CYS 16 H CYS 16 -2.447 -4.072 -2.844 107 HA CYS 16 HA CYS 16 -0.477 -4.112 -4.684 108 HB2 CYS 16 1HB CYS 16 -3.319 -4.369 -5.629 109 HB3 CYS 16 2HB CYS 16 -1.905 -5.295 -6.122 110 H CYS 17 H CYS 17 -0.072 -3.204 -6.731 111 HA CYS 17 HA CYS 17 -0.600 -0.415 -6.908 112 HB2 CYS 17 1HB CYS 17 1.068 -2.367 -8.267 113 HB3 CYS 17 2HB CYS 17 0.352 -1.226 -9.402 114 H LYS 18 H LYS 18 -1.116 0.262 -9.424 115 HA LYS 18 HA LYS 18 -3.880 -0.621 -9.783 116 HB2 LYS 18 1HB LYS 18 -2.332 1.819 -10.507 117 HB3 LYS 18 2HB LYS 18 -3.695 1.382 -11.528 118 HG2 LYS 18 1HG LYS 18 -4.446 2.939 -9.883 119 HG3 LYS 18 2HG LYS 18 -5.133 1.357 -9.506 120 HD2 LYS 18 1HD LYS 18 -3.707 1.041 -7.685 121 HD3 LYS 18 2HD LYS 18 -2.571 2.271 -8.242 122 HE2 LYS 18 1HE LYS 18 -3.632 3.389 -6.538 123 HE3 LYS 18 2HE LYS 18 -4.612 3.874 -7.920 124 HZ1 LYS 18 3HZ LYS 18 -6.359 2.599 -7.249 125 HZ2 LYS 18 1HZ LYS 18 -5.707 2.982 -5.735 126 HZ3 LYS 18 2HZ LYS 18 -5.394 1.474 -6.434 127 H SER 19 H SER 19 -1.521 0.523 -12.176 128 HA SER 19 HA SER 19 -2.501 -1.072 -14.255 129 HB2 SER 19 1HB SER 19 -0.982 0.996 -14.392 130 HB3 SER 19 2HB SER 19 0.355 -0.117 -14.104 131 HG SER 19 HG SER 19 -0.113 -1.162 -15.996 132 H SER 20 H SER 20 -0.348 -1.801 -11.665 133 HA SER 20 HA SER 20 1.097 -3.933 -12.765 134 HB2 SER 20 1HB SER 20 0.197 -3.625 -9.891 135 HB3 SER 20 2HB SER 20 1.542 -4.609 -10.468 136 HG SER 20 HG SER 20 2.611 -2.733 -11.077 137 H LYS 21 H LYS 21 0.808 -6.189 -12.614 138 HA LYS 21 HA LYS 21 -1.971 -7.005 -12.829 139 HB2 LYS 21 1HB LYS 21 0.651 -8.106 -13.644 140 HB3 LYS 21 2HB LYS 21 -0.577 -9.291 -13.218 141 HG2 LYS 21 1HG LYS 21 -0.969 -9.073 -15.453 142 HG3 LYS 21 2HG LYS 21 -2.073 -7.849 -14.821 143 HD2 LYS 21 1HD LYS 21 -0.055 -6.244 -15.108 144 HD3 LYS 21 2HD LYS 21 0.570 -7.494 -16.186 145 HE2 LYS 21 1HE LYS 21 -1.525 -7.371 -17.486 146 HE3 LYS 21 2HE LYS 21 -2.077 -6.067 -16.436 147 HZ1 LYS 21 3HZ LYS 21 0.523 -5.574 -17.527 148 HZ2 LYS 21 1HZ LYS 21 -0.855 -4.593 -17.539 149 HZ3 LYS 21 2HZ LYS 21 -0.647 -5.773 -18.733 150 H LEU 22 H LEU 22 0.557 -7.078 -10.520 151 HA LEU 22 HA LEU 22 0.278 -9.303 -9.031 152 HB2 LEU 22 1HB LEU 22 0.172 -7.290 -7.106 153 HB3 LEU 22 2HB LEU 22 1.609 -8.079 -7.754 154 HG LEU 22 HG LEU 22 0.491 -5.743 -9.225 155 HD11 LEU 22 1HD1 LEU 22 2.176 -5.499 -6.737 156 HD12 LEU 22 2HD1 LEU 22 0.482 -5.031 -6.878 157 HD13 LEU 22 3HD1 LEU 22 1.711 -4.187 -7.820 158 HD21 LEU 22 3HD2 LEU 22 3.177 -5.474 -9.134 159 HD22 LEU 22 1HD2 LEU 22 2.318 -6.392 -10.371 160 HD23 LEU 22 2HD2 LEU 22 3.023 -7.225 -8.986 161 H VAL 23 H VAL 23 -1.527 -10.400 -8.608 162 HA VAL 23 HA VAL 23 -3.941 -8.936 -7.807 163 HB VAL 23 HB VAL 23 -4.185 -10.532 -9.666 164 HG11 VAL 23 1HG1 VAL 23 -4.042 -12.950 -9.214 165 HG12 VAL 23 2HG1 VAL 23 -2.482 -12.141 -9.048 166 HG13 VAL 23 3HG1 VAL 23 -3.399 -12.595 -7.611 167 HG21 VAL 23 3HG2 VAL 23 -5.625 -11.500 -7.202 168 HG22 VAL 23 1HG2 VAL 23 -6.051 -10.037 -8.090 169 HG23 VAL 23 2HG2 VAL 23 -6.174 -11.612 -8.874 170 H CYS 24 H CYS 24 -5.046 -9.407 -5.914 171 HA CYS 24 HA CYS 24 -3.571 -11.047 -3.958 172 HB2 CYS 24 1HB CYS 24 -3.311 -9.058 -2.904 173 HB3 CYS 24 2HB CYS 24 -4.633 -8.303 -3.789 174 H SER 25 H SER 25 -6.649 -10.164 -5.321 175 HA SER 25 HA SER 25 -8.248 -11.575 -3.416 176 HB2 SER 25 1HB SER 25 -9.094 -9.691 -4.828 177 HB3 SER 25 2HB SER 25 -8.990 -10.751 -6.233 178 HG SER 25 HG SER 25 -10.488 -11.390 -3.915 179 H ARG 26 H ARG 26 -7.411 -12.239 -6.820 180 HA ARG 26 HA ARG 26 -8.561 -14.684 -7.160 181 HB2 ARG 26 1HB ARG 26 -5.964 -13.569 -8.178 182 HB3 ARG 26 2HB ARG 26 -6.475 -15.194 -8.615 183 HG2 ARG 26 1HG ARG 26 -8.611 -14.189 -9.464 184 HG3 ARG 26 2HG ARG 26 -7.875 -12.604 -9.220 185 HD2 ARG 26 1HD ARG 26 -6.143 -13.089 -10.793 186 HD3 ARG 26 2HD ARG 26 -6.643 -14.776 -10.904 187 HE ARG 26 HE ARG 26 -8.693 -12.914 -11.667 188 HH11 ARG 26 1HH1 ARG 26 -5.918 -14.716 -12.748 189 HH12 ARG 26 2HH1 ARG 26 -6.400 -14.712 -14.412 190 HH21 ARG 26 1HH2 ARG 26 -9.339 -12.902 -13.855 191 HH22 ARG 26 2HH2 ARG 26 -8.346 -13.679 -15.041 192 H LYS 27 H LYS 27 -5.238 -14.185 -5.963 193 HA LYS 27 HA LYS 27 -5.201 -16.936 -4.979 194 HB2 LYS 27 1HB LYS 27 -2.962 -14.909 -4.943 195 HB3 LYS 27 2HB LYS 27 -2.827 -16.644 -4.689 196 HG2 LYS 27 1HG LYS 27 -3.831 -15.480 -7.266 197 HG3 LYS 27 2HG LYS 27 -2.115 -15.744 -6.950 198 HD2 LYS 27 1HD LYS 27 -2.587 -17.744 -7.921 199 HD3 LYS 27 2HD LYS 27 -3.033 -18.153 -6.262 200 HE2 LYS 27 1HE LYS 27 -5.241 -18.242 -6.740 201 HE3 LYS 27 2HE LYS 27 -5.152 -16.916 -7.898 202 HZ1 LYS 27 3HZ LYS 27 -5.293 -19.635 -8.442 203 HZ2 LYS 27 1HZ LYS 27 -3.741 -19.140 -8.900 204 HZ3 LYS 27 2HZ LYS 27 -5.101 -18.370 -9.548 205 H THR 28 H THR 28 -3.458 -16.729 -2.865 206 HA THR 28 HA THR 28 -5.084 -16.294 -0.690 207 HB THR 28 HB THR 28 -2.266 -15.666 -0.148 208 HG1 THR 28 HG1 THR 28 -2.968 -18.150 -1.364 209 HG21 THR 28 3HG2 THR 28 -3.092 -18.123 0.973 210 HG22 THR 28 1HG2 THR 28 -4.473 -17.031 1.056 211 HG23 THR 28 2HG2 THR 28 -2.934 -16.562 1.778 212 H ARG 29 H ARG 29 -4.591 -14.672 1.123 213 HA ARG 29 HA ARG 29 -5.413 -12.151 0.400 214 HB2 ARG 29 1HB ARG 29 -4.425 -11.422 2.631 215 HB3 ARG 29 2HB ARG 29 -5.587 -12.741 2.678 216 HG2 ARG 29 1HG ARG 29 -2.837 -13.653 2.388 217 HG3 ARG 29 2HG ARG 29 -3.118 -12.728 3.864 218 HD2 ARG 29 1HD ARG 29 -5.269 -14.284 3.964 219 HD3 ARG 29 2HD ARG 29 -4.231 -15.344 3.012 220 HE ARG 29 HE ARG 29 -2.948 -14.317 5.361 221 HH11 ARG 29 1HH1 ARG 29 -5.050 -16.799 4.121 222 HH12 ARG 29 2HH1 ARG 29 -4.676 -17.928 5.381 223 HH21 ARG 29 1HH2 ARG 29 -2.447 -15.794 7.026 224 HH22 ARG 29 2HH2 ARG 29 -3.196 -17.354 7.034 225 H ALA 30 H ALA 30 -2.255 -13.508 0.185 226 HA ALA 30 HA ALA 30 -0.798 -11.051 0.130 227 HB1 ALA 30 1HB ALA 30 0.786 -12.845 -1.195 228 HB2 ALA 30 2HB ALA 30 0.750 -12.610 0.553 229 HB3 ALA 30 3HB ALA 30 -0.207 -13.895 -0.183 230 H CYS 31 H CYS 31 -0.074 -9.865 -1.601 231 HA CYS 31 HA CYS 31 -1.476 -10.351 -4.130 232 HB2 CYS 31 1HB CYS 31 -1.295 -8.070 -2.667 233 HB3 CYS 31 2HB CYS 31 0.049 -7.844 -3.781 234 H LYS 32 H LYS 32 -0.400 -11.241 -5.750 235 HA LYS 32 HA LYS 32 2.409 -10.560 -6.172 236 HB2 LYS 32 1HB LYS 32 3.193 -12.766 -6.243 237 HB3 LYS 32 2HB LYS 32 2.158 -12.734 -4.821 238 HG2 LYS 32 1HG LYS 32 0.429 -13.465 -6.831 239 HG3 LYS 32 2HG LYS 32 1.929 -14.289 -7.265 240 HD2 LYS 32 1HD LYS 32 1.614 -14.606 -4.485 241 HD3 LYS 32 2HD LYS 32 0.037 -14.930 -5.208 242 HE2 LYS 32 1HE LYS 32 2.312 -16.136 -6.618 243 HE3 LYS 32 2HE LYS 32 2.050 -16.747 -4.985 244 HZ1 LYS 32 3HZ LYS 32 0.748 -18.110 -6.315 245 HZ2 LYS 32 1HZ LYS 32 0.222 -16.841 -7.301 246 HZ3 LYS 32 2HZ LYS 32 -0.370 -16.986 -5.724 247 H TYR 33 H TYR 33 3.123 -10.832 -8.318 248 HA TYR 33 HA TYR 33 1.365 -10.180 -10.324 249 HB2 TYR 33 1HB TYR 33 4.129 -11.163 -10.198 250 HB3 TYR 33 2HB TYR 33 3.310 -11.524 -11.713 251 HD1 TYR 33 HD2 TYR 33 1.981 -9.454 -12.736 252 HD2 TYR 33 HD1 TYR 33 5.251 -9.155 -10.029 253 HE1 TYR 33 HE2 TYR 33 2.412 -7.163 -13.518 254 HE2 TYR 33 HE1 TYR 33 5.690 -6.862 -10.803 255 HH TYR 33 HH TYR 33 4.746 -5.621 -13.503 256 H GLN 34 H GLN 34 -0.186 -11.227 -11.368 257 HA GLN 34 HA GLN 34 -0.616 -14.033 -10.921 258 HB2 GLN 34 1HB GLN 34 -2.643 -13.721 -12.260 259 HB3 GLN 34 2HB GLN 34 -2.504 -12.481 -11.021 260 HG2 GLN 34 1HG GLN 34 -2.187 -10.810 -12.526 261 HG3 GLN 34 2HG GLN 34 -1.408 -11.866 -13.703 262 HE21 GLN 34 2HE2 GLN 34 -3.140 -13.779 -14.222 263 HE22 GLN 34 1HE2 GLN 34 -4.631 -13.154 -14.832 264 H ILE 35 H ILE 35 1.019 -12.164 -13.255 265 HA ILE 35 HA ILE 35 0.720 -13.556 -15.613 266 HB ILE 35 HB ILE 35 2.109 -11.482 -15.249 267 HG12 ILE 35 1HG1 ILE 35 3.950 -13.185 -16.747 268 HG13 ILE 35 2HG1 ILE 35 2.266 -13.459 -17.182 269 HG21 ILE 35 1HG2 ILE 35 4.204 -11.535 -14.337 270 HG22 ILE 35 2HG2 ILE 35 3.427 -12.798 -13.384 271 HG23 ILE 35 3HG2 ILE 35 4.460 -13.231 -14.746 272 HD11 ILE 35 3HD1 ILE 35 2.475 -10.714 -17.121 273 HD12 ILE 35 1HD1 ILE 35 4.011 -11.237 -17.810 274 HD13 ILE 35 2HD1 ILE 35 2.494 -11.736 -18.558
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