NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
644418 | 6qet | 34349 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H1 ASP 1 19.218 -6.203 -2.132 2 H2 ASP 1 H2 ASP 1 18.083 -5.118 -2.758 3 H3 ASP 1 H3 ASP 1 17.637 -6.198 -1.536 4 HA ASP 1 HA ASP 1 19.608 -4.009 -1.269 5 HB2 ASP 1 HB2 ASP 1 17.960 -2.926 0.170 6 HB3 ASP 1 HB3 ASP 1 17.269 -3.206 -1.427 7 H THR 2 H THR 2 20.534 -3.801 0.762 8 HA THR 2 HA THR 2 20.411 -6.200 2.439 9 HB THR 2 HB THR 2 22.380 -3.919 2.667 10 HG1 THR 2 HG1 THR 2 23.646 -4.928 1.201 11 HG21 THR 2 HG21 THR 2 22.497 -6.808 3.550 12 HG22 THR 2 HG22 THR 2 22.256 -5.412 4.602 13 HG23 THR 2 HG23 THR 2 23.785 -5.621 3.748 14 H THR 3 H THR 3 19.429 -2.974 2.228 15 HA THR 3 HA THR 3 18.135 -3.094 4.800 16 HB THR 3 HB THR 3 20.301 -2.164 5.448 17 HG1 THR 3 HG1 THR 3 19.485 -0.059 6.212 18 HG21 THR 3 HG21 THR 3 19.751 -0.022 3.394 19 HG22 THR 3 HG22 THR 3 21.009 -1.257 3.303 20 HG23 THR 3 HG23 THR 3 21.080 -0.014 4.553 21 H SER 4 H SER 4 16.477 -1.459 4.997 22 HA SER 4 HA SER 4 15.248 -0.884 2.507 23 HB2 SER 4 HB2 SER 4 14.483 0.237 5.209 24 HB3 SER 4 HB3 SER 4 13.444 0.035 3.796 25 HG SER 4 HG SER 4 14.233 -2.329 4.131 26 H ASP 5 H ASP 5 16.490 0.495 1.302 27 HA ASP 5 HA ASP 5 16.278 3.295 2.120 28 HB2 ASP 5 HB2 ASP 5 18.610 2.548 2.630 29 HB3 ASP 5 HB3 ASP 5 18.808 2.122 0.933 30 H PHE 6 H PHE 6 14.698 3.670 0.676 31 HA PHE 6 HA PHE 6 15.247 4.168 -2.023 32 HB2 PHE 6 HB2 PHE 6 13.503 2.330 -2.814 33 HB3 PHE 6 HB3 PHE 6 15.217 1.957 -2.697 34 HD1 PHE 6 HD1 PHE 6 12.219 1.940 -0.447 35 HD2 PHE 6 HD2 PHE 6 15.746 -0.052 -1.754 36 HE1 PHE 6 HE1 PHE 6 11.718 0.059 1.062 37 HE2 PHE 6 HE2 PHE 6 15.250 -1.930 -0.250 38 HZ PHE 6 HZ PHE 6 13.232 -1.875 1.162 39 H HIS 7 H HIS 7 12.816 4.159 -3.196 40 HA HIS 7 HA HIS 7 11.322 5.944 -1.485 41 HB2 HIS 7 HB2 HIS 7 10.829 5.018 -4.317 42 HB3 HIS 7 HB3 HIS 7 9.797 6.156 -3.465 43 HD1 HIS 7 HD1 HIS 7 12.454 6.140 -5.808 44 HD2 HIS 7 HD2 HIS 7 11.518 8.457 -2.486 45 HE1 HIS 7 HE1 HIS 7 13.728 8.286 -6.102 46 HE2 HIS 7 HE2 HIS 7 13.298 9.586 -3.986 47 H THR 8 H THR 8 10.307 4.907 0.086 48 HA THR 8 HA THR 8 9.254 2.281 -0.271 49 HB THR 8 HB THR 8 8.350 2.868 2.149 50 HG1 THR 8 HG1 THR 8 9.516 4.508 3.116 51 HG21 THR 8 HG21 THR 8 11.266 2.489 1.475 52 HG22 THR 8 HG22 THR 8 10.066 1.216 1.696 53 HG23 THR 8 HG23 THR 8 10.548 2.220 3.062 54 H CYS 9 H CYS 9 6.987 2.139 1.145 55 HA CYS 9 HA CYS 9 5.087 3.345 -0.698 56 HB2 CYS 9 HB2 CYS 9 4.794 1.275 1.507 57 HB3 CYS 9 HB3 CYS 9 3.457 1.849 0.506 58 H GLN 10 H GLN 10 5.059 2.797 2.808 59 HA GLN 10 HA GLN 10 3.529 5.187 3.230 60 HB2 GLN 10 HB2 GLN 10 4.256 4.392 5.724 61 HB3 GLN 10 HB3 GLN 10 2.870 3.763 4.850 62 HG2 GLN 10 HG2 GLN 10 4.217 1.898 4.043 63 HG3 GLN 10 HG3 GLN 10 5.590 2.521 4.936 64 HE21 GLN 10 HE21 GLN 10 4.347 -0.029 5.124 65 HE22 GLN 10 HE22 GLN 10 3.781 -0.203 6.744 66 H ASP 11 H ASP 11 4.493 7.000 3.012 67 HA ASP 11 HA ASP 11 6.462 8.253 4.321 68 HB2 ASP 11 HB2 ASP 11 8.049 6.427 3.681 69 HB3 ASP 11 HB3 ASP 11 7.757 6.800 1.983 70 H LYS 12 H LYS 12 5.823 7.382 0.923 71 HA LYS 12 HA LYS 12 5.689 10.216 0.211 72 HB2 LYS 12 HB2 LYS 12 5.263 7.777 -1.522 73 HB3 LYS 12 HB3 LYS 12 5.477 9.420 -2.092 74 HG2 LYS 12 HG2 LYS 12 7.782 9.396 -1.252 75 HG3 LYS 12 HG3 LYS 12 7.557 7.728 -0.716 76 HD2 LYS 12 HD2 LYS 12 7.258 8.665 -3.567 77 HD3 LYS 12 HD3 LYS 12 8.709 7.914 -2.906 78 HE2 LYS 12 HE2 LYS 12 7.518 5.873 -2.464 79 HE3 LYS 12 HE3 LYS 12 5.988 6.613 -2.926 80 HZ1 LYS 12 HZ1 LYS 12 6.746 5.300 -4.731 81 HZ2 LYS 12 HZ2 LYS 12 8.283 6.003 -4.696 82 HZ3 LYS 12 HZ3 LYS 12 6.953 6.917 -5.177 83 H GLY 13 H GLY 13 3.684 7.352 0.445 84 HA2 GLY 13 HA2 GLY 13 1.301 9.047 0.082 85 HA3 GLY 13 HA3 GLY 13 1.422 7.459 -0.650 86 H GLY 14 H GLY 14 0.920 5.719 0.456 87 HA2 GLY 14 HA2 GLY 14 0.207 6.064 3.279 88 HA3 GLY 14 HA3 GLY 14 -0.865 5.245 2.159 89 H HIS 15 H HIS 15 -0.667 3.504 3.734 90 HA HIS 15 HA HIS 15 1.937 2.298 4.128 91 HB2 HIS 15 HB2 HIS 15 0.944 1.124 5.916 92 HB3 HIS 15 HB3 HIS 15 0.171 2.700 5.947 93 HD1 HIS 15 HD1 HIS 15 -0.737 -0.587 6.509 94 HD2 HIS 15 HD2 HIS 15 -2.325 2.372 4.049 95 HE1 HIS 15 HE1 HIS 15 -3.121 -1.260 6.093 96 HE2 HIS 15 HE2 HIS 15 -4.024 0.480 4.519 97 H CYS 16 H CYS 16 2.046 -0.100 4.134 98 HA CYS 16 HA CYS 16 1.404 -1.041 1.501 99 HB2 CYS 16 HB2 CYS 16 2.721 -2.445 3.835 100 HB3 CYS 16 HB3 CYS 16 2.687 -3.025 2.171 101 H VAL 17 H VAL 17 -0.201 -2.370 0.923 102 HA VAL 17 HA VAL 17 -1.740 -3.657 3.079 103 HB VAL 17 HB VAL 17 -3.782 -3.340 1.868 104 HG11 VAL 17 HG11 VAL 17 -3.988 -0.888 1.897 105 HG12 VAL 17 HG12 VAL 17 -2.233 -0.765 2.030 106 HG13 VAL 17 HG13 VAL 17 -3.164 -1.521 3.322 107 HG21 VAL 17 HG21 VAL 17 -2.945 -3.549 -0.403 108 HG22 VAL 17 HG22 VAL 17 -2.146 -1.982 -0.267 109 HG23 VAL 17 HG23 VAL 17 -3.907 -2.081 -0.228 110 H SER 18 H SER 18 -2.298 -5.690 2.821 111 HA SER 18 HA SER 18 -0.997 -7.304 0.918 112 HB2 SER 18 HB2 SER 18 -2.250 -9.108 1.935 113 HB3 SER 18 HB3 SER 18 -1.703 -8.029 3.195 114 HG SER 18 HG SER 18 -3.771 -7.130 3.278 115 HA PRO 19 HA PRO 19 -3.416 -6.940 -2.670 116 HB2 PRO 19 HB2 PRO 19 -3.613 -9.544 -3.529 117 HB3 PRO 19 HB3 PRO 19 -2.194 -8.515 -3.733 118 HG2 PRO 19 HG2 PRO 19 -2.757 -10.568 -1.631 119 HG3 PRO 19 HG3 PRO 19 -1.256 -10.267 -2.530 120 HD2 PRO 19 HD2 PRO 19 -1.549 -9.385 -0.031 121 HD3 PRO 19 HD3 PRO 19 -0.721 -8.398 -1.254 122 H LYS 20 H LYS 20 -5.066 -7.407 -0.178 123 HA LYS 20 HA LYS 20 -7.545 -7.914 -1.608 124 HB2 LYS 20 HB2 LYS 20 -6.683 -10.121 -0.600 125 HB3 LYS 20 HB3 LYS 20 -7.065 -9.410 0.961 126 HG2 LYS 20 HG2 LYS 20 -9.405 -9.043 0.054 127 HG3 LYS 20 HG3 LYS 20 -8.941 -10.098 -1.277 128 HD2 LYS 20 HD2 LYS 20 -10.066 -11.423 0.360 129 HD3 LYS 20 HD3 LYS 20 -8.355 -11.841 0.413 130 HE2 LYS 20 HE2 LYS 20 -9.291 -11.627 2.659 131 HE3 LYS 20 HE3 LYS 20 -8.054 -10.408 2.364 132 HZ1 LYS 20 HZ1 LYS 20 -10.992 -9.974 2.232 133 HZ2 LYS 20 HZ2 LYS 20 -9.816 -8.800 1.916 134 HZ3 LYS 20 HZ3 LYS 20 -9.962 -9.451 3.469 135 H ILE 21 H ILE 21 -6.379 -5.563 -0.508 136 HA ILE 21 HA ILE 21 -8.085 -5.055 1.848 137 HB ILE 21 HB ILE 21 -5.484 -3.713 1.095 138 HG12 ILE 21 HG12 ILE 21 -5.143 -5.998 1.899 139 HG13 ILE 21 HG13 ILE 21 -4.569 -4.833 3.086 140 HG21 ILE 21 HG21 ILE 21 -5.625 -2.625 3.290 141 HG22 ILE 21 HG22 ILE 21 -7.219 -3.339 3.531 142 HG23 ILE 21 HG23 ILE 21 -6.965 -2.166 2.239 143 HD11 ILE 21 HD11 ILE 21 -6.626 -5.158 4.375 144 HD12 ILE 21 HD12 ILE 21 -5.723 -6.657 4.168 145 HD13 ILE 21 HD13 ILE 21 -7.164 -6.353 3.197 146 H ARG 22 H ARG 22 -9.141 -3.058 2.001 147 HA ARG 22 HA ARG 22 -10.184 -1.987 -0.398 148 HB2 ARG 22 HB2 ARG 22 -11.454 -2.045 1.700 149 HB3 ARG 22 HB3 ARG 22 -10.298 -0.946 2.441 150 HG2 ARG 22 HG2 ARG 22 -10.921 0.685 0.589 151 HG3 ARG 22 HG3 ARG 22 -12.293 -0.378 0.280 152 HD2 ARG 22 HD2 ARG 22 -11.649 1.046 2.856 153 HD3 ARG 22 HD3 ARG 22 -12.966 1.415 1.746 154 HE ARG 22 HE ARG 22 -12.871 -1.218 3.035 155 HH11 ARG 22 HH11 ARG 22 -14.410 1.903 2.646 156 HH12 ARG 22 HH12 ARG 22 -15.852 1.440 3.491 157 HH21 ARG 22 HH21 ARG 22 -14.773 -1.828 4.156 158 HH22 ARG 22 HH22 ARG 22 -16.055 -0.676 4.351 159 H CYS 23 H CYS 23 -8.815 -0.899 -1.727 160 HA CYS 23 HA CYS 23 -6.969 1.055 -0.607 161 HB2 CYS 23 HB2 CYS 23 -7.415 0.130 -3.447 162 HB3 CYS 23 HB3 CYS 23 -6.170 1.255 -2.936 163 H LEU 24 H LEU 24 -7.725 3.053 -0.231 164 HA LEU 24 HA LEU 24 -9.898 4.193 -1.701 165 HB2 LEU 24 HB2 LEU 24 -8.012 5.123 0.392 166 HB3 LEU 24 HB3 LEU 24 -8.723 6.361 -0.623 167 HG LEU 24 HG LEU 24 -9.974 6.054 1.466 168 HD11 LEU 24 HD11 LEU 24 -11.134 6.814 -0.551 169 HD12 LEU 24 HD12 LEU 24 -12.189 5.866 0.496 170 HD13 LEU 24 HD13 LEU 24 -11.511 5.140 -0.960 171 HD21 LEU 24 HD21 LEU 24 -10.495 3.268 0.437 172 HD22 LEU 24 HD22 LEU 24 -11.269 4.009 1.837 173 HD23 LEU 24 HD23 LEU 24 -9.534 3.694 1.852 174 H GLU 25 H GLU 25 -6.391 4.591 -1.718 175 HA GLU 25 HA GLU 25 -6.536 5.284 -4.541 176 HB2 GLU 25 HB2 GLU 25 -6.571 7.459 -3.475 177 HB3 GLU 25 HB3 GLU 25 -5.207 7.028 -2.462 178 HG2 GLU 25 HG2 GLU 25 -3.788 6.882 -4.461 179 HG3 GLU 25 HG3 GLU 25 -5.165 7.363 -5.451 180 H GLU 26 H GLU 26 -5.217 3.867 -5.482 181 HA GLU 26 HA GLU 26 -3.098 2.614 -3.962 182 HB2 GLU 26 HB2 GLU 26 -3.876 2.247 -6.856 183 HB3 GLU 26 HB3 GLU 26 -2.762 1.235 -5.950 184 HG2 GLU 26 HG2 GLU 26 -4.576 0.562 -4.463 185 HG3 GLU 26 HG3 GLU 26 -5.694 1.572 -5.380 186 H GLN 27 H GLN 27 -0.957 3.011 -4.128 187 HA GLN 27 HA GLN 27 -0.049 4.754 -6.289 188 HB2 GLN 27 HB2 GLN 27 1.266 6.111 -4.769 189 HB3 GLN 27 HB3 GLN 27 -0.446 6.220 -4.376 190 HG2 GLN 27 HG2 GLN 27 0.181 5.867 -2.277 191 HG3 GLN 27 HG3 GLN 27 0.446 4.188 -2.753 192 HE21 GLN 27 HE21 GLN 27 1.942 7.274 -2.189 193 HE22 GLN 27 HE22 GLN 27 3.565 6.685 -2.065 194 H LEU 28 H LEU 28 2.450 4.985 -6.068 195 HA LEU 28 HA LEU 28 3.393 2.250 -6.172 196 HB2 LEU 28 HB2 LEU 28 4.926 2.945 -7.834 197 HB3 LEU 28 HB3 LEU 28 3.369 3.608 -8.256 198 HG LEU 28 HG LEU 28 5.553 5.199 -6.904 199 HD11 LEU 28 HD11 LEU 28 6.310 4.441 -9.082 200 HD12 LEU 28 HD12 LEU 28 5.984 6.175 -9.095 201 HD13 LEU 28 HD13 LEU 28 4.831 5.056 -9.822 202 HD21 LEU 28 HD21 LEU 28 2.948 5.970 -8.205 203 HD22 LEU 28 HD22 LEU 28 4.230 7.121 -7.832 204 HD23 LEU 28 HD23 LEU 28 3.444 6.232 -6.530 205 H GLY 29 H GLY 29 4.983 1.553 -4.926 206 HA2 GLY 29 HA2 GLY 29 7.126 3.179 -3.996 207 HA3 GLY 29 HA3 GLY 29 5.970 2.862 -2.707 208 H LEU 30 H LEU 30 8.005 1.759 -1.835 209 HA LEU 30 HA LEU 30 8.172 -0.957 -2.931 210 HB2 LEU 30 HB2 LEU 30 10.184 0.753 -1.560 211 HB3 LEU 30 HB3 LEU 30 10.311 -0.986 -1.413 212 HG LEU 30 HG LEU 30 10.110 -0.904 -4.038 213 HD11 LEU 30 HD11 LEU 30 11.057 1.847 -3.306 214 HD12 LEU 30 HD12 LEU 30 9.673 1.402 -4.305 215 HD13 LEU 30 HD13 LEU 30 11.313 1.113 -4.892 216 HD21 LEU 30 HD21 LEU 30 12.007 -1.796 -2.816 217 HD22 LEU 30 HD22 LEU 30 12.624 -0.165 -2.554 218 HD23 LEU 30 HD23 LEU 30 12.545 -0.826 -4.188 219 H CYS 31 H CYS 31 7.114 -2.410 -1.895 220 HA CYS 31 HA CYS 31 7.077 -2.362 1.055 221 HB2 CYS 31 HB2 CYS 31 5.065 -3.630 -0.821 222 HB3 CYS 31 HB3 CYS 31 5.018 -3.709 0.936 223 HA PRO 32 HA PRO 32 9.250 -6.169 0.151 224 HB2 PRO 32 HB2 PRO 32 10.382 -6.555 2.515 225 HB3 PRO 32 HB3 PRO 32 10.805 -5.124 1.567 226 HG2 PRO 32 HG2 PRO 32 9.034 -5.363 3.958 227 HG3 PRO 32 HG3 PRO 32 10.123 -4.036 3.495 228 HD2 PRO 32 HD2 PRO 32 7.321 -4.199 3.038 229 HD3 PRO 32 HD3 PRO 32 8.431 -2.979 2.387 230 H LEU 33 H LEU 33 7.575 -7.624 -0.206 231 HA LEU 33 HA LEU 33 7.177 -9.647 1.705 232 HB2 LEU 33 HB2 LEU 33 4.948 -7.655 1.390 233 HB3 LEU 33 HB3 LEU 33 4.587 -9.335 1.716 234 HG LEU 33 HG LEU 33 6.176 -7.478 3.487 235 HD11 LEU 33 HD11 LEU 33 3.470 -8.736 3.857 236 HD12 LEU 33 HD12 LEU 33 3.793 -7.032 3.540 237 HD13 LEU 33 HD13 LEU 33 4.330 -7.767 5.051 238 HD21 LEU 33 HD21 LEU 33 7.122 -9.633 3.707 239 HD22 LEU 33 HD22 LEU 33 5.529 -10.395 3.745 240 HD23 LEU 33 HD23 LEU 33 6.060 -9.387 5.095 241 H LYS 34 H LYS 34 4.450 -8.769 -0.237 242 HA LYS 34 HA LYS 34 5.298 -10.577 -2.383 243 HB2 LYS 34 HB2 LYS 34 2.600 -10.588 -1.017 244 HB3 LYS 34 HB3 LYS 34 3.089 -11.630 -2.349 245 HG2 LYS 34 HG2 LYS 34 4.859 -12.569 -0.842 246 HG3 LYS 34 HG3 LYS 34 4.116 -11.664 0.477 247 HD2 LYS 34 HD2 LYS 34 1.994 -12.836 0.054 248 HD3 LYS 34 HD3 LYS 34 2.778 -13.774 -1.213 249 HE2 LYS 34 HE2 LYS 34 2.693 -15.096 0.786 250 HE3 LYS 34 HE3 LYS 34 4.366 -14.637 0.481 251 HZ1 LYS 34 HZ1 LYS 34 2.548 -13.295 2.408 252 HZ2 LYS 34 HZ2 LYS 34 4.172 -12.909 2.141 253 HZ3 LYS 34 HZ3 LYS 34 3.758 -14.402 2.814 254 H ARG 35 H ARG 35 2.262 -10.228 -3.034 255 HA ARG 35 HA ARG 35 2.510 -8.091 -4.885 256 HB2 ARG 35 HB2 ARG 35 1.290 -10.089 -5.438 257 HB3 ARG 35 HB3 ARG 35 0.238 -9.890 -4.051 258 HG2 ARG 35 HG2 ARG 35 -0.815 -9.332 -6.203 259 HG3 ARG 35 HG3 ARG 35 -0.820 -8.018 -5.029 260 HD2 ARG 35 HD2 ARG 35 1.508 -7.978 -6.783 261 HD3 ARG 35 HD3 ARG 35 -0.019 -7.821 -7.651 262 HE ARG 35 HE ARG 35 -0.308 -6.070 -5.622 263 HH11 ARG 35 HH11 ARG 35 2.265 -6.545 -7.938 264 HH12 ARG 35 HH12 ARG 35 2.682 -4.863 -8.011 265 HH21 ARG 35 HH21 ARG 35 0.217 -3.852 -5.723 266 HH22 ARG 35 HH22 ARG 35 1.516 -3.328 -6.756 267 H TRP 36 H TRP 36 2.901 -7.213 -2.240 268 HA TRP 36 HA TRP 36 0.502 -6.045 -1.215 269 HB2 TRP 36 HB2 TRP 36 3.397 -5.952 -0.455 270 HB3 TRP 36 HB3 TRP 36 2.234 -4.862 0.302 271 HD1 TRP 36 HD1 TRP 36 2.200 -8.690 -0.452 272 HE1 TRP 36 HE1 TRP 36 1.351 -9.884 1.664 273 HE3 TRP 36 HE3 TRP 36 1.500 -4.617 2.532 274 HZ2 TRP 36 HZ2 TRP 36 0.478 -9.167 4.261 275 HZ3 TRP 36 HZ3 TRP 36 0.636 -4.958 4.782 276 HH2 TRP 36 HH2 TRP 36 0.147 -7.170 5.641 277 H THR 37 H THR 37 -0.409 -4.295 -1.836 278 HA THR 37 HA THR 37 0.908 -2.494 -3.695 279 HB THR 37 HB THR 37 -1.936 -2.938 -2.824 280 HG1 THR 37 HG1 THR 37 -2.173 -3.591 -4.919 281 HG21 THR 37 HG21 THR 37 -0.922 -0.650 -4.510 282 HG22 THR 37 HG22 THR 37 -1.787 -0.540 -2.972 283 HG23 THR 37 HG23 THR 37 -2.612 -1.145 -4.413 284 H CYS 38 H CYS 38 1.097 -0.239 -3.371 285 HA CYS 38 HA CYS 38 1.231 0.544 -0.561 286 HB2 CYS 38 HB2 CYS 38 1.957 2.177 -2.997 287 HB3 CYS 38 HB3 CYS 38 2.539 2.378 -1.346 288 H CYS 39 H CYS 39 -0.742 1.091 0.196 289 HA CYS 39 HA CYS 39 -2.521 2.488 -1.642 290 HB2 CYS 39 HB2 CYS 39 -2.936 0.553 0.562 291 HB3 CYS 39 HB3 CYS 39 -4.220 1.693 0.191 292 H LYS 40 H LYS 40 -2.893 4.491 -1.368 293 HA LYS 40 HA LYS 40 -2.166 5.898 1.019 294 HB2 LYS 40 HB2 LYS 40 -1.975 6.823 -1.303 295 HB3 LYS 40 HB3 LYS 40 -3.725 6.877 -1.374 296 HG2 LYS 40 HG2 LYS 40 -2.491 8.254 0.917 297 HG3 LYS 40 HG3 LYS 40 -2.188 8.955 -0.674 298 HD2 LYS 40 HD2 LYS 40 -4.641 8.947 -1.080 299 HD3 LYS 40 HD3 LYS 40 -4.874 8.384 0.577 300 HE2 LYS 40 HE2 LYS 40 -3.436 10.930 -0.148 301 HE3 LYS 40 HE3 LYS 40 -5.151 10.854 0.250 302 HZ1 LYS 40 HZ1 LYS 40 -4.630 10.070 2.428 303 HZ2 LYS 40 HZ2 LYS 40 -3.716 11.469 2.143 304 HZ3 LYS 40 HZ3 LYS 40 -2.981 9.951 2.059 305 H GLU 41 H GLU 41 -3.370 4.937 2.581 306 HA GLU 41 HA GLU 41 -4.998 4.898 4.120 307 HB2 GLU 41 HB2 GLU 41 -6.531 6.678 2.232 308 HB3 GLU 41 HB3 GLU 41 -7.023 6.250 3.861 309 HG2 GLU 41 HG2 GLU 41 -5.039 7.331 4.763 310 HG3 GLU 41 HG3 GLU 41 -4.530 7.755 3.129 311 H ILE 42 H ILE 42 -6.837 3.740 4.646 312 HA ILE 42 HA ILE 42 -8.070 2.186 2.487 313 HB ILE 42 HB ILE 42 -7.981 0.143 3.784 314 HG12 ILE 42 HG12 ILE 42 -7.934 1.290 6.044 315 HG13 ILE 42 HG13 ILE 42 -6.886 -0.109 5.880 316 HG21 ILE 42 HG21 ILE 42 -5.569 -0.321 3.664 317 HG22 ILE 42 HG22 ILE 42 -5.266 1.406 3.468 318 HG23 ILE 42 HG23 ILE 42 -6.175 0.525 2.240 319 HD11 ILE 42 HD11 ILE 42 -5.983 2.755 5.698 320 HD12 ILE 42 HD12 ILE 42 -4.954 1.326 5.660 321 HD13 ILE 42 HD13 ILE 42 -5.848 1.729 7.123 Start of MODEL 2 1 H1 ASP 1 H1 ASP 1 16.764 -6.669 -4.082 2 H2 ASP 1 H2 ASP 1 17.104 -6.929 -5.716 3 H3 ASP 1 H3 ASP 1 15.891 -5.841 -5.268 4 HA ASP 1 HA ASP 1 17.916 -4.714 -5.974 5 HB2 ASP 1 HB2 ASP 1 17.189 -4.436 -3.049 6 HB3 ASP 1 HB3 ASP 1 18.145 -3.266 -3.954 7 H THR 2 H THR 2 20.046 -3.938 -5.103 8 HA THR 2 HA THR 2 21.666 -6.203 -4.281 9 HB THR 2 HB THR 2 22.545 -3.366 -4.862 10 HG1 THR 2 HG1 THR 2 21.419 -4.478 -6.635 11 HG21 THR 2 HG21 THR 2 24.210 -4.694 -3.662 12 HG22 THR 2 HG22 THR 2 24.726 -4.406 -5.324 13 HG23 THR 2 HG23 THR 2 24.070 -5.976 -4.865 14 H THR 3 H THR 3 20.317 -3.315 -3.036 15 HA THR 3 HA THR 3 20.795 -4.060 -0.330 16 HB THR 3 HB THR 3 22.998 -3.033 -0.896 17 HG1 THR 3 HG1 THR 3 22.512 -2.806 1.223 18 HG21 THR 3 HG21 THR 3 21.361 -0.538 -1.356 19 HG22 THR 3 HG22 THR 3 22.278 -1.425 -2.575 20 HG23 THR 3 HG23 THR 3 23.121 -0.600 -1.264 21 H SER 4 H SER 4 19.804 -2.349 1.134 22 HA SER 4 HA SER 4 17.308 -1.561 0.044 23 HB2 SER 4 HB2 SER 4 18.550 -0.772 2.688 24 HB3 SER 4 HB3 SER 4 16.841 -0.669 2.262 25 HG SER 4 HG SER 4 17.710 -3.157 1.795 26 H ASP 5 H ASP 5 17.553 -0.102 -1.567 27 HA ASP 5 HA ASP 5 17.945 2.629 -0.714 28 HB2 ASP 5 HB2 ASP 5 20.227 1.954 -1.415 29 HB3 ASP 5 HB3 ASP 5 19.589 1.498 -2.992 30 H PHE 6 H PHE 6 15.924 3.193 -1.235 31 HA PHE 6 HA PHE 6 15.006 3.490 -3.848 32 HB2 PHE 6 HB2 PHE 6 13.101 1.710 -3.589 33 HB3 PHE 6 HB3 PHE 6 14.669 1.223 -4.213 34 HD1 PHE 6 HD1 PHE 6 14.814 -1.005 -3.644 35 HD2 PHE 6 HD2 PHE 6 13.682 1.805 -0.657 36 HE1 PHE 6 HE1 PHE 6 14.962 -2.768 -1.939 37 HE2 PHE 6 HE2 PHE 6 13.831 0.045 1.054 38 HZ PHE 6 HZ PHE 6 14.455 -2.254 0.414 39 H HIS 7 H HIS 7 12.437 3.657 -3.748 40 HA HIS 7 HA HIS 7 11.875 5.479 -1.560 41 HB2 HIS 7 HB2 HIS 7 10.450 4.768 -4.111 42 HB3 HIS 7 HB3 HIS 7 9.645 5.683 -2.848 43 HD1 HIS 7 HD1 HIS 7 11.425 6.206 -5.854 44 HD2 HIS 7 HD2 HIS 7 11.352 8.088 -2.147 45 HE1 HIS 7 HE1 HIS 7 12.334 8.516 -6.253 46 HE2 HIS 7 HE2 HIS 7 12.175 9.674 -4.021 47 H THR 8 H THR 8 10.933 4.813 0.254 48 HA THR 8 HA THR 8 9.750 2.247 0.494 49 HB THR 8 HB THR 8 8.928 3.284 2.744 50 HG1 THR 8 HG1 THR 8 10.888 4.993 2.990 51 HG21 THR 8 HG21 THR 8 11.077 2.774 3.737 52 HG22 THR 8 HG22 THR 8 11.879 2.968 2.178 53 HG23 THR 8 HG23 THR 8 10.754 1.632 2.429 54 H CYS 9 H CYS 9 7.499 2.286 1.777 55 HA CYS 9 HA CYS 9 5.653 3.431 -0.175 56 HB2 CYS 9 HB2 CYS 9 5.406 1.052 0.213 57 HB3 CYS 9 HB3 CYS 9 5.297 1.305 1.953 58 H GLN 10 H GLN 10 5.459 2.791 3.306 59 HA GLN 10 HA GLN 10 3.732 5.061 3.682 60 HB2 GLN 10 HB2 GLN 10 4.156 4.409 6.177 61 HB3 GLN 10 HB3 GLN 10 3.193 3.350 5.158 62 HG2 GLN 10 HG2 GLN 10 5.303 2.061 4.720 63 HG3 GLN 10 HG3 GLN 10 6.048 3.003 6.005 64 HE21 GLN 10 HE21 GLN 10 5.541 0.143 5.787 65 HE22 GLN 10 HE22 GLN 10 4.589 -0.278 7.164 66 H ASP 11 H ASP 11 4.602 6.936 3.456 67 HA ASP 11 HA ASP 11 6.297 8.336 4.982 68 HB2 ASP 11 HB2 ASP 11 8.072 6.630 4.537 69 HB3 ASP 11 HB3 ASP 11 7.972 7.002 2.822 70 H LYS 12 H LYS 12 6.078 7.463 1.523 71 HA LYS 12 HA LYS 12 5.847 10.295 0.834 72 HB2 LYS 12 HB2 LYS 12 5.921 7.862 -0.960 73 HB3 LYS 12 HB3 LYS 12 6.001 9.530 -1.491 74 HG2 LYS 12 HG2 LYS 12 8.163 8.633 -1.617 75 HG3 LYS 12 HG3 LYS 12 8.163 9.727 -0.244 76 HD2 LYS 12 HD2 LYS 12 8.010 7.857 1.262 77 HD3 LYS 12 HD3 LYS 12 7.855 6.732 -0.086 78 HE2 LYS 12 HE2 LYS 12 10.118 6.707 0.798 79 HE3 LYS 12 HE3 LYS 12 10.092 7.348 -0.844 80 HZ1 LYS 12 HZ1 LYS 12 10.182 9.001 1.625 81 HZ2 LYS 12 HZ2 LYS 12 10.264 9.571 0.030 82 HZ3 LYS 12 HZ3 LYS 12 11.525 8.633 0.655 83 H GLY 13 H GLY 13 3.995 7.315 0.824 84 HA2 GLY 13 HA2 GLY 13 1.687 8.834 -0.215 85 HA3 GLY 13 HA3 GLY 13 2.040 7.206 -0.750 86 H GLY 14 H GLY 14 1.506 5.500 0.485 87 HA2 GLY 14 HA2 GLY 14 0.014 6.070 2.947 88 HA3 GLY 14 HA3 GLY 14 -0.672 5.041 1.698 89 H HIS 15 H HIS 15 -0.713 3.541 3.608 90 HA HIS 15 HA HIS 15 1.865 2.349 4.235 91 HB2 HIS 15 HB2 HIS 15 0.751 1.186 5.968 92 HB3 HIS 15 HB3 HIS 15 0.034 2.787 5.962 93 HD1 HIS 15 HD1 HIS 15 -1.030 -0.397 6.577 94 HD2 HIS 15 HD2 HIS 15 -2.360 2.500 3.898 95 HE1 HIS 15 HE1 HIS 15 -3.385 -1.047 6.002 96 HE2 HIS 15 HE2 HIS 15 -4.125 0.640 4.289 97 H CYS 16 H CYS 16 2.029 -0.050 4.170 98 HA CYS 16 HA CYS 16 1.347 -0.953 1.530 99 HB2 CYS 16 HB2 CYS 16 2.756 -2.347 3.815 100 HB3 CYS 16 HB3 CYS 16 2.593 -2.995 2.186 101 H VAL 17 H VAL 17 -0.242 -2.283 0.942 102 HA VAL 17 HA VAL 17 -1.796 -3.559 3.093 103 HB VAL 17 HB VAL 17 -3.820 -3.268 1.856 104 HG11 VAL 17 HG11 VAL 17 -2.253 -0.705 1.987 105 HG12 VAL 17 HG12 VAL 17 -3.237 -1.418 3.266 106 HG13 VAL 17 HG13 VAL 17 -4.002 -0.807 1.798 107 HG21 VAL 17 HG21 VAL 17 -3.928 -2.083 -0.275 108 HG22 VAL 17 HG22 VAL 17 -2.936 -3.536 -0.401 109 HG23 VAL 17 HG23 VAL 17 -2.169 -1.952 -0.296 110 H SER 18 H SER 18 -2.485 -5.563 2.815 111 HA SER 18 HA SER 18 -1.084 -7.213 0.966 112 HB2 SER 18 HB2 SER 18 -2.232 -9.024 2.093 113 HB3 SER 18 HB3 SER 18 -1.631 -7.890 3.284 114 HG SER 18 HG SER 18 -4.004 -8.744 3.256 115 HA PRO 19 HA PRO 19 -3.819 -7.275 -2.465 116 HB2 PRO 19 HB2 PRO 19 -3.804 -9.931 -3.132 117 HB3 PRO 19 HB3 PRO 19 -2.492 -8.805 -3.496 118 HG2 PRO 19 HG2 PRO 19 -2.761 -10.715 -1.202 119 HG3 PRO 19 HG3 PRO 19 -1.356 -10.414 -2.246 120 HD2 PRO 19 HD2 PRO 19 -1.495 -9.315 0.172 121 HD3 PRO 19 HD3 PRO 19 -0.870 -8.385 -1.206 122 H LYS 20 H LYS 20 -5.132 -7.627 0.185 123 HA LYS 20 HA LYS 20 -7.628 -8.809 -0.788 124 HB2 LYS 20 HB2 LYS 20 -6.338 -10.486 0.601 125 HB3 LYS 20 HB3 LYS 20 -6.501 -9.388 1.961 126 HG2 LYS 20 HG2 LYS 20 -8.145 -11.134 2.119 127 HG3 LYS 20 HG3 LYS 20 -8.950 -9.597 1.804 128 HD2 LYS 20 HD2 LYS 20 -9.194 -10.171 -0.540 129 HD3 LYS 20 HD3 LYS 20 -8.299 -11.671 -0.290 130 HE2 LYS 20 HE2 LYS 20 -10.908 -10.972 1.051 131 HE3 LYS 20 HE3 LYS 20 -10.755 -11.990 -0.379 132 HZ1 LYS 20 HZ1 LYS 20 -10.943 -13.304 1.635 133 HZ2 LYS 20 HZ2 LYS 20 -9.569 -12.563 2.284 134 HZ3 LYS 20 HZ3 LYS 20 -9.432 -13.545 0.912 135 H ILE 21 H ILE 21 -6.218 -6.133 0.062 136 HA ILE 21 HA ILE 21 -8.159 -5.229 2.082 137 HB ILE 21 HB ILE 21 -5.561 -3.938 1.232 138 HG12 ILE 21 HG12 ILE 21 -5.154 -6.056 2.376 139 HG13 ILE 21 HG13 ILE 21 -4.695 -4.707 3.406 140 HG21 ILE 21 HG21 ILE 21 -5.838 -2.537 3.219 141 HG22 ILE 21 HG22 ILE 21 -7.397 -3.297 3.538 142 HG23 ILE 21 HG23 ILE 21 -7.172 -2.321 2.086 143 HD11 ILE 21 HD11 ILE 21 -6.797 -4.953 4.638 144 HD12 ILE 21 HD12 ILE 21 -5.814 -6.416 4.690 145 HD13 ILE 21 HD13 ILE 21 -7.218 -6.332 3.624 146 H ARG 22 H ARG 22 -9.397 -3.409 1.766 147 HA ARG 22 HA ARG 22 -9.940 -2.652 -0.952 148 HB2 ARG 22 HB2 ARG 22 -11.644 -3.012 0.907 149 HB3 ARG 22 HB3 ARG 22 -11.101 -1.482 1.576 150 HG2 ARG 22 HG2 ARG 22 -12.112 -1.701 -1.230 151 HG3 ARG 22 HG3 ARG 22 -13.200 -1.486 0.138 152 HD2 ARG 22 HD2 ARG 22 -11.004 0.365 -0.773 153 HD3 ARG 22 HD3 ARG 22 -12.740 0.668 -0.805 154 HE ARG 22 HE ARG 22 -11.000 0.683 1.555 155 HH11 ARG 22 HH11 ARG 22 -14.188 1.123 0.174 156 HH12 ARG 22 HH12 ARG 22 -14.791 2.007 1.540 157 HH21 ARG 22 HH21 ARG 22 -11.779 1.852 3.339 158 HH22 ARG 22 HH22 ARG 22 -13.431 2.407 3.342 159 H CYS 23 H CYS 23 -8.847 -1.118 -1.966 160 HA CYS 23 HA CYS 23 -7.357 0.889 -0.468 161 HB2 CYS 23 HB2 CYS 23 -7.404 0.250 -3.422 162 HB3 CYS 23 HB3 CYS 23 -6.292 1.353 -2.627 163 H LEU 24 H LEU 24 -7.868 3.024 -0.432 164 HA LEU 24 HA LEU 24 -10.186 3.962 -1.900 165 HB2 LEU 24 HB2 LEU 24 -8.359 5.158 0.142 166 HB3 LEU 24 HB3 LEU 24 -9.301 6.226 -0.875 167 HG LEU 24 HG LEU 24 -10.427 5.898 1.231 168 HD11 LEU 24 HD11 LEU 24 -11.799 6.131 -0.788 169 HD12 LEU 24 HD12 LEU 24 -12.590 5.159 0.451 170 HD13 LEU 24 HD13 LEU 24 -11.851 4.375 -0.943 171 HD21 LEU 24 HD21 LEU 24 -10.363 2.962 0.572 172 HD22 LEU 24 HD22 LEU 24 -11.241 3.694 1.916 173 HD23 LEU 24 HD23 LEU 24 -9.480 3.770 1.868 174 H GLU 25 H GLU 25 -6.731 4.739 -1.726 175 HA GLU 25 HA GLU 25 -6.828 5.355 -4.587 176 HB2 GLU 25 HB2 GLU 25 -6.949 7.486 -3.318 177 HB3 GLU 25 HB3 GLU 25 -5.435 7.077 -2.527 178 HG2 GLU 25 HG2 GLU 25 -5.085 8.653 -4.334 179 HG3 GLU 25 HG3 GLU 25 -4.288 7.116 -4.673 180 H GLU 26 H GLU 26 -5.396 4.090 -5.577 181 HA GLU 26 HA GLU 26 -3.331 2.766 -4.082 182 HB2 GLU 26 HB2 GLU 26 -4.008 2.736 -7.023 183 HB3 GLU 26 HB3 GLU 26 -2.734 1.767 -6.296 184 HG2 GLU 26 HG2 GLU 26 -4.388 0.642 -4.891 185 HG3 GLU 26 HG3 GLU 26 -5.664 1.611 -5.626 186 H GLN 27 H GLN 27 -1.133 2.974 -4.322 187 HA GLN 27 HA GLN 27 -0.074 5.209 -5.847 188 HB2 GLN 27 HB2 GLN 27 -0.131 6.579 -4.063 189 HB3 GLN 27 HB3 GLN 27 -0.682 5.286 -3.019 190 HG2 GLN 27 HG2 GLN 27 1.222 5.916 -1.962 191 HG3 GLN 27 HG3 GLN 27 1.842 4.634 -2.991 192 HE21 GLN 27 HE21 GLN 27 3.263 6.840 -1.813 193 HE22 GLN 27 HE22 GLN 27 3.963 7.736 -3.112 194 H LEU 28 H LEU 28 2.369 5.152 -5.774 195 HA LEU 28 HA LEU 28 3.174 2.342 -5.682 196 HB2 LEU 28 HB2 LEU 28 5.104 3.121 -7.130 197 HB3 LEU 28 HB3 LEU 28 3.516 3.052 -7.856 198 HG LEU 28 HG LEU 28 3.365 5.559 -7.463 199 HD11 LEU 28 HD11 LEU 28 5.463 6.768 -7.235 200 HD12 LEU 28 HD12 LEU 28 6.336 5.247 -7.047 201 HD13 LEU 28 HD13 LEU 28 5.176 5.755 -5.820 202 HD21 LEU 28 HD21 LEU 28 3.733 4.595 -9.633 203 HD22 LEU 28 HD22 LEU 28 5.452 4.408 -9.291 204 HD23 LEU 28 HD23 LEU 28 4.755 6.022 -9.447 205 H GLY 29 H GLY 29 5.032 1.679 -4.757 206 HA2 GLY 29 HA2 GLY 29 6.827 3.341 -3.343 207 HA3 GLY 29 HA3 GLY 29 5.572 2.761 -2.252 208 H LEU 30 H LEU 30 7.655 1.809 -1.301 209 HA LEU 30 HA LEU 30 8.130 -0.803 -2.536 210 HB2 LEU 30 HB2 LEU 30 10.201 0.176 -2.117 211 HB3 LEU 30 HB3 LEU 30 9.689 0.824 -0.572 212 HG LEU 30 HG LEU 30 9.421 -1.868 -0.181 213 HD11 LEU 30 HD11 LEU 30 11.494 -2.895 -0.941 214 HD12 LEU 30 HD12 LEU 30 11.906 -1.424 -1.825 215 HD13 LEU 30 HD13 LEU 30 10.500 -2.376 -2.303 216 HD21 LEU 30 HD21 LEU 30 11.767 -0.075 0.382 217 HD22 LEU 30 HD22 LEU 30 11.431 -1.607 1.195 218 HD23 LEU 30 HD23 LEU 30 10.314 -0.249 1.365 219 H CYS 31 H CYS 31 7.090 -2.440 -1.759 220 HA CYS 31 HA CYS 31 6.659 -2.591 1.145 221 HB2 CYS 31 HB2 CYS 31 4.815 -3.668 -0.998 222 HB3 CYS 31 HB3 CYS 31 4.601 -3.855 0.737 223 HA PRO 32 HA PRO 32 9.130 -6.118 -0.063 224 HB2 PRO 32 HB2 PRO 32 10.386 -6.503 2.243 225 HB3 PRO 32 HB3 PRO 32 10.703 -5.040 1.301 226 HG2 PRO 32 HG2 PRO 32 9.005 -5.402 3.741 227 HG3 PRO 32 HG3 PRO 32 10.080 -4.050 3.315 228 HD2 PRO 32 HD2 PRO 32 7.299 -4.135 2.937 229 HD3 PRO 32 HD3 PRO 32 8.409 -2.985 2.174 230 H LEU 33 H LEU 33 7.420 -7.629 -0.347 231 HA LEU 33 HA LEU 33 7.146 -9.618 1.673 232 HB2 LEU 33 HB2 LEU 33 4.868 -7.710 1.201 233 HB3 LEU 33 HB3 LEU 33 4.563 -9.361 1.701 234 HG LEU 33 HG LEU 33 6.252 -7.400 3.254 235 HD11 LEU 33 HD11 LEU 33 4.384 -7.250 4.801 236 HD12 LEU 33 HD12 LEU 33 3.411 -8.261 3.735 237 HD13 LEU 33 HD13 LEU 33 3.935 -6.664 3.200 238 HD21 LEU 33 HD21 LEU 33 6.878 -9.663 3.696 239 HD22 LEU 33 HD22 LEU 33 5.190 -10.134 3.903 240 HD23 LEU 33 HD23 LEU 33 5.955 -9.048 5.067 241 H LYS 34 H LYS 34 4.400 -8.965 -0.324 242 HA LYS 34 HA LYS 34 5.262 -11.089 -2.161 243 HB2 LYS 34 HB2 LYS 34 2.468 -10.479 -1.188 244 HB3 LYS 34 HB3 LYS 34 2.921 -11.775 -2.289 245 HG2 LYS 34 HG2 LYS 34 3.991 -11.540 0.505 246 HG3 LYS 34 HG3 LYS 34 2.542 -12.437 0.095 247 HD2 LYS 34 HD2 LYS 34 5.143 -12.993 -1.285 248 HD3 LYS 34 HD3 LYS 34 4.779 -13.710 0.281 249 HE2 LYS 34 HE2 LYS 34 4.174 -15.293 -1.397 250 HE3 LYS 34 HE3 LYS 34 2.687 -14.644 -0.715 251 HZ1 LYS 34 HZ1 LYS 34 2.348 -13.316 -2.626 252 HZ2 LYS 34 HZ2 LYS 34 2.722 -14.865 -3.182 253 HZ3 LYS 34 HZ3 LYS 34 3.892 -13.646 -3.235 254 H ARG 35 H ARG 35 2.251 -9.491 -2.536 255 HA ARG 35 HA ARG 35 3.271 -7.931 -4.777 256 HB2 ARG 35 HB2 ARG 35 1.168 -8.313 -5.938 257 HB3 ARG 35 HB3 ARG 35 1.994 -9.823 -5.588 258 HG2 ARG 35 HG2 ARG 35 0.512 -10.277 -3.768 259 HG3 ARG 35 HG3 ARG 35 -0.258 -8.698 -3.957 260 HD2 ARG 35 HD2 ARG 35 -0.190 -10.842 -6.059 261 HD3 ARG 35 HD3 ARG 35 -1.551 -10.549 -4.976 262 HE ARG 35 HE ARG 35 -1.021 -8.134 -6.205 263 HH11 ARG 35 HH11 ARG 35 -1.931 -11.359 -7.217 264 HH12 ARG 35 HH12 ARG 35 -2.772 -10.819 -8.634 265 HH21 ARG 35 HH21 ARG 35 -2.127 -7.418 -8.073 266 HH22 ARG 35 HH22 ARG 35 -2.881 -8.576 -9.124 267 H TRP 36 H TRP 36 3.152 -6.954 -2.193 268 HA TRP 36 HA TRP 36 0.582 -5.968 -1.484 269 HB2 TRP 36 HB2 TRP 36 3.357 -5.660 -0.396 270 HB3 TRP 36 HB3 TRP 36 2.049 -4.670 0.235 271 HD1 TRP 36 HD1 TRP 36 2.164 -8.496 -0.544 272 HE1 TRP 36 HE1 TRP 36 1.331 -9.732 1.535 273 HE3 TRP 36 HE3 TRP 36 1.457 -4.482 2.506 274 HZ2 TRP 36 HZ2 TRP 36 0.488 -9.068 4.163 275 HZ3 TRP 36 HZ3 TRP 36 0.632 -4.863 4.763 276 HH2 TRP 36 HH2 TRP 36 0.167 -7.099 5.585 277 H THR 37 H THR 37 -0.286 -4.019 -1.657 278 HA THR 37 HA THR 37 0.889 -2.246 -3.656 279 HB THR 37 HB THR 37 -1.910 -2.551 -2.559 280 HG1 THR 37 HG1 THR 37 -0.526 -3.402 -4.820 281 HG21 THR 37 HG21 THR 37 -0.896 -0.548 -4.580 282 HG22 THR 37 HG22 THR 37 -1.633 -0.200 -3.010 283 HG23 THR 37 HG23 THR 37 -2.600 -0.916 -4.303 284 H CYS 38 H CYS 38 1.220 -0.031 -3.304 285 HA CYS 38 HA CYS 38 1.327 0.788 -0.518 286 HB2 CYS 38 HB2 CYS 38 3.131 1.309 -2.245 287 HB3 CYS 38 HB3 CYS 38 1.992 2.451 -2.947 288 H CYS 39 H CYS 39 -0.843 0.987 0.061 289 HA CYS 39 HA CYS 39 -2.557 2.490 -1.727 290 HB2 CYS 39 HB2 CYS 39 -2.995 0.621 0.531 291 HB3 CYS 39 HB3 CYS 39 -4.274 1.743 0.099 292 H LYS 40 H LYS 40 -2.785 4.530 -1.518 293 HA LYS 40 HA LYS 40 -2.177 6.029 0.815 294 HB2 LYS 40 HB2 LYS 40 -2.035 6.964 -1.461 295 HB3 LYS 40 HB3 LYS 40 -3.767 6.765 -1.651 296 HG2 LYS 40 HG2 LYS 40 -3.290 9.064 -1.198 297 HG3 LYS 40 HG3 LYS 40 -4.114 8.369 0.200 298 HD2 LYS 40 HD2 LYS 40 -2.079 8.213 1.421 299 HD3 LYS 40 HD3 LYS 40 -1.124 8.608 -0.010 300 HE2 LYS 40 HE2 LYS 40 -1.352 10.497 1.581 301 HE3 LYS 40 HE3 LYS 40 -1.970 10.852 -0.029 302 HZ1 LYS 40 HZ1 LYS 40 -4.192 10.558 0.742 303 HZ2 LYS 40 HZ2 LYS 40 -3.415 11.629 1.794 304 HZ3 LYS 40 HZ3 LYS 40 -3.670 10.016 2.261 305 H GLU 41 H GLU 41 -3.384 4.979 2.417 306 HA GLU 41 HA GLU 41 -5.048 4.910 3.936 307 HB2 GLU 41 HB2 GLU 41 -6.090 6.992 2.112 308 HB3 GLU 41 HB3 GLU 41 -7.235 6.257 3.223 309 HG2 GLU 41 HG2 GLU 41 -6.361 8.254 4.207 310 HG3 GLU 41 HG3 GLU 41 -5.739 6.865 5.094 311 H ILE 42 H ILE 42 -6.847 3.714 4.416 312 HA ILE 42 HA ILE 42 -8.152 2.267 2.234 313 HB ILE 42 HB ILE 42 -7.894 0.133 3.289 314 HG12 ILE 42 HG12 ILE 42 -7.900 0.822 5.648 315 HG13 ILE 42 HG13 ILE 42 -6.555 -0.247 5.297 316 HG21 ILE 42 HG21 ILE 42 -6.146 0.736 1.770 317 HG22 ILE 42 HG22 ILE 42 -5.466 -0.206 3.097 318 HG23 ILE 42 HG23 ILE 42 -5.250 1.545 3.056 319 HD11 ILE 42 HD11 ILE 42 -5.800 1.461 6.766 320 HD12 ILE 42 HD12 ILE 42 -6.456 2.723 5.728 321 HD13 ILE 42 HD13 ILE 42 -5.083 1.761 5.184 Start of MODEL 3 1 H1 ASP 1 H1 ASP 1 19.522 -5.573 -5.645 2 H2 ASP 1 H2 ASP 1 17.975 -4.910 -5.774 3 H3 ASP 1 H3 ASP 1 18.298 -6.069 -4.587 4 HA ASP 1 HA ASP 1 19.419 -3.341 -4.734 5 HB2 ASP 1 HB2 ASP 1 18.152 -2.949 -2.672 6 HB3 ASP 1 HB3 ASP 1 17.075 -3.419 -3.983 7 H THR 2 H THR 2 21.254 -3.013 -3.679 8 HA THR 2 HA THR 2 22.530 -5.183 -2.250 9 HB THR 2 HB THR 2 23.540 -2.347 -2.480 10 HG1 THR 2 HG1 THR 2 23.616 -4.459 -4.392 11 HG21 THR 2 HG21 THR 2 25.740 -3.420 -2.395 12 HG22 THR 2 HG22 THR 2 24.969 -5.002 -2.293 13 HG23 THR 2 HG23 THR 2 24.777 -3.844 -0.979 14 H THR 3 H THR 3 20.566 -2.522 -1.592 15 HA THR 3 HA THR 3 20.308 -3.139 1.165 16 HB THR 3 HB THR 3 22.425 -1.829 1.269 17 HG1 THR 3 HG1 THR 3 20.743 0.007 2.417 18 HG21 THR 3 HG21 THR 3 22.077 -0.391 -0.676 19 HG22 THR 3 HG22 THR 3 22.392 0.571 0.768 20 HG23 THR 3 HG23 THR 3 20.748 0.420 0.150 21 H SER 4 H SER 4 18.538 -1.844 2.104 22 HA SER 4 HA SER 4 16.619 -1.124 0.130 23 HB2 SER 4 HB2 SER 4 16.455 -0.639 3.110 24 HB3 SER 4 HB3 SER 4 15.113 -0.722 1.964 25 HG SER 4 HG SER 4 15.168 -2.706 2.846 26 H ASP 5 H ASP 5 17.264 0.594 -1.024 27 HA ASP 5 HA ASP 5 17.119 3.176 0.329 28 HB2 ASP 5 HB2 ASP 5 19.536 2.678 0.111 29 HB3 ASP 5 HB3 ASP 5 19.323 2.428 -1.618 30 H PHE 6 H PHE 6 15.221 3.726 -0.580 31 HA PHE 6 HA PHE 6 14.956 4.336 -3.309 32 HB2 PHE 6 HB2 PHE 6 13.119 2.503 -3.677 33 HB3 PHE 6 HB3 PHE 6 14.810 2.104 -3.944 34 HD1 PHE 6 HD1 PHE 6 15.086 -0.114 -3.449 35 HD2 PHE 6 HD2 PHE 6 12.795 2.297 -0.792 36 HE1 PHE 6 HE1 PHE 6 14.902 -2.010 -1.894 37 HE2 PHE 6 HE2 PHE 6 12.608 0.402 0.769 38 HZ PHE 6 HZ PHE 6 13.661 -1.756 0.217 39 H HIS 7 H HIS 7 12.401 4.386 -3.797 40 HA HIS 7 HA HIS 7 11.338 6.055 -1.689 41 HB2 HIS 7 HB2 HIS 7 10.374 5.388 -4.467 42 HB3 HIS 7 HB3 HIS 7 9.419 6.337 -3.336 43 HD1 HIS 7 HD1 HIS 7 11.865 6.720 -5.943 44 HD2 HIS 7 HD2 HIS 7 10.912 8.737 -2.435 45 HE1 HIS 7 HE1 HIS 7 12.918 8.992 -6.164 46 HE2 HIS 7 HE2 HIS 7 12.424 10.156 -3.984 47 H THR 8 H THR 8 10.686 4.875 -0.023 48 HA THR 8 HA THR 8 9.439 2.354 -0.208 49 HB THR 8 HB THR 8 8.822 2.933 2.265 50 HG1 THR 8 HG1 THR 8 9.930 4.679 3.095 51 HG21 THR 8 HG21 THR 8 10.607 1.394 1.633 52 HG22 THR 8 HG22 THR 8 11.138 2.430 2.959 53 HG23 THR 8 HG23 THR 8 11.689 2.751 1.316 54 H CYS 9 H CYS 9 7.306 2.346 1.474 55 HA CYS 9 HA CYS 9 5.314 3.496 -0.327 56 HB2 CYS 9 HB2 CYS 9 5.123 1.349 1.810 57 HB3 CYS 9 HB3 CYS 9 3.733 1.962 0.913 58 H GLN 10 H GLN 10 5.382 2.881 3.178 59 HA GLN 10 HA GLN 10 3.651 5.145 3.595 60 HB2 GLN 10 HB2 GLN 10 4.073 4.539 6.065 61 HB3 GLN 10 HB3 GLN 10 3.174 3.402 5.075 62 HG2 GLN 10 HG2 GLN 10 5.401 2.224 4.708 63 HG3 GLN 10 HG3 GLN 10 6.000 3.204 6.044 64 HE21 GLN 10 HE21 GLN 10 5.649 0.316 5.815 65 HE22 GLN 10 HE22 GLN 10 4.591 -0.145 7.097 66 H ASP 11 H ASP 11 4.475 7.010 3.328 67 HA ASP 11 HA ASP 11 6.201 8.447 4.790 68 HB2 ASP 11 HB2 ASP 11 7.994 6.778 4.237 69 HB3 ASP 11 HB3 ASP 11 7.796 7.177 2.539 70 H LYS 12 H LYS 12 5.947 7.568 1.347 71 HA LYS 12 HA LYS 12 5.650 10.376 0.614 72 HB2 LYS 12 HB2 LYS 12 5.736 7.883 -1.091 73 HB3 LYS 12 HB3 LYS 12 5.711 9.523 -1.702 74 HG2 LYS 12 HG2 LYS 12 7.905 8.672 -1.872 75 HG3 LYS 12 HG3 LYS 12 7.913 9.900 -0.615 76 HD2 LYS 12 HD2 LYS 12 7.841 8.129 1.062 77 HD3 LYS 12 HD3 LYS 12 7.836 6.911 -0.211 78 HE2 LYS 12 HE2 LYS 12 10.068 7.163 0.704 79 HE3 LYS 12 HE3 LYS 12 10.027 7.728 -0.965 80 HZ1 LYS 12 HZ1 LYS 12 9.857 9.489 1.423 81 HZ2 LYS 12 HZ2 LYS 12 9.950 9.989 -0.195 82 HZ3 LYS 12 HZ3 LYS 12 11.270 9.215 0.524 83 H GLY 13 H GLY 13 3.826 7.388 0.716 84 HA2 GLY 13 HA2 GLY 13 1.456 8.869 -0.225 85 HA3 GLY 13 HA3 GLY 13 1.791 7.230 -0.744 86 H GLY 14 H GLY 14 1.633 5.558 0.725 87 HA2 GLY 14 HA2 GLY 14 0.365 6.044 3.279 88 HA3 GLY 14 HA3 GLY 14 -0.629 5.242 2.072 89 H HIS 15 H HIS 15 -0.643 3.480 3.686 90 HA HIS 15 HA HIS 15 1.925 2.215 4.233 91 HB2 HIS 15 HB2 HIS 15 0.823 1.050 5.966 92 HB3 HIS 15 HB3 HIS 15 0.131 2.663 5.996 93 HD1 HIS 15 HD1 HIS 15 -0.937 -0.596 6.467 94 HD2 HIS 15 HD2 HIS 15 -2.354 2.493 4.069 95 HE1 HIS 15 HE1 HIS 15 -3.332 -1.167 5.976 96 HE2 HIS 15 HE2 HIS 15 -4.205 0.777 4.642 97 H CYS 16 H CYS 16 2.013 -0.174 4.169 98 HA CYS 16 HA CYS 16 1.304 -1.052 1.528 99 HB2 CYS 16 HB2 CYS 16 2.669 -2.509 3.800 100 HB3 CYS 16 HB3 CYS 16 2.575 -3.068 2.130 101 H VAL 17 H VAL 17 -0.338 -2.335 0.957 102 HA VAL 17 HA VAL 17 -1.857 -3.634 3.117 103 HB VAL 17 HB VAL 17 -3.908 -3.368 1.797 104 HG11 VAL 17 HG11 VAL 17 -4.236 -0.970 2.149 105 HG12 VAL 17 HG12 VAL 17 -2.494 -0.764 2.342 106 HG13 VAL 17 HG13 VAL 17 -3.403 -1.727 3.507 107 HG21 VAL 17 HG21 VAL 17 -2.220 -1.688 -0.054 108 HG22 VAL 17 HG22 VAL 17 -3.976 -1.839 -0.123 109 HG23 VAL 17 HG23 VAL 17 -2.955 -3.243 -0.437 110 H SER 18 H SER 18 -2.403 -5.648 2.893 111 HA SER 18 HA SER 18 -1.083 -7.295 1.038 112 HB2 SER 18 HB2 SER 18 -2.368 -9.086 2.087 113 HB3 SER 18 HB3 SER 18 -1.728 -8.003 3.305 114 HG SER 18 HG SER 18 -3.746 -7.054 3.509 115 HA PRO 19 HA PRO 19 -3.520 -7.153 -2.552 116 HB2 PRO 19 HB2 PRO 19 -3.608 -9.758 -3.348 117 HB3 PRO 19 HB3 PRO 19 -2.188 -8.719 -3.508 118 HG2 PRO 19 HG2 PRO 19 -2.849 -10.691 -1.347 119 HG3 PRO 19 HG3 PRO 19 -1.326 -10.482 -2.234 120 HD2 PRO 19 HD2 PRO 19 -1.601 -9.458 0.196 121 HD3 PRO 19 HD3 PRO 19 -0.782 -8.533 -1.084 122 H LYS 20 H LYS 20 -5.155 -7.595 -0.051 123 HA LYS 20 HA LYS 20 -7.567 -8.458 -1.450 124 HB2 LYS 20 HB2 LYS 20 -6.530 -10.416 -0.168 125 HB3 LYS 20 HB3 LYS 20 -6.940 -9.538 1.295 126 HG2 LYS 20 HG2 LYS 20 -8.614 -11.213 0.805 127 HG3 LYS 20 HG3 LYS 20 -9.304 -9.598 0.674 128 HD2 LYS 20 HD2 LYS 20 -10.028 -11.116 -1.142 129 HD3 LYS 20 HD3 LYS 20 -9.179 -9.691 -1.735 130 HE2 LYS 20 HE2 LYS 20 -8.479 -11.731 -2.903 131 HE3 LYS 20 HE3 LYS 20 -7.149 -10.984 -2.025 132 HZ1 LYS 20 HZ1 LYS 20 -7.078 -13.327 -1.678 133 HZ2 LYS 20 HZ2 LYS 20 -8.701 -13.379 -1.211 134 HZ3 LYS 20 HZ3 LYS 20 -7.564 -12.614 -0.224 135 H ILE 21 H ILE 21 -6.199 -6.022 -0.139 136 HA ILE 21 HA ILE 21 -8.258 -5.312 1.829 137 HB ILE 21 HB ILE 21 -5.670 -3.898 1.162 138 HG12 ILE 21 HG12 ILE 21 -5.252 -6.062 2.206 139 HG13 ILE 21 HG13 ILE 21 -4.883 -4.764 3.334 140 HG21 ILE 21 HG21 ILE 21 -7.617 -3.415 3.413 141 HG22 ILE 21 HG22 ILE 21 -7.349 -2.362 2.025 142 HG23 ILE 21 HG23 ILE 21 -6.063 -2.610 3.206 143 HD11 ILE 21 HD11 ILE 21 -7.373 -6.452 3.333 144 HD12 ILE 21 HD12 ILE 21 -7.020 -5.141 4.457 145 HD13 ILE 21 HD13 ILE 21 -6.014 -6.589 4.447 146 H ARG 22 H ARG 22 -9.657 -3.644 1.530 147 HA ARG 22 HA ARG 22 -10.108 -2.652 -1.094 148 HB2 ARG 22 HB2 ARG 22 -11.872 -3.039 0.653 149 HB3 ARG 22 HB3 ARG 22 -11.248 -1.649 1.524 150 HG2 ARG 22 HG2 ARG 22 -12.052 -1.313 -1.314 151 HG3 ARG 22 HG3 ARG 22 -13.304 -1.440 -0.081 152 HD2 ARG 22 HD2 ARG 22 -11.027 0.537 -0.025 153 HD3 ARG 22 HD3 ARG 22 -12.649 0.898 -0.607 154 HE ARG 22 HE ARG 22 -12.104 0.055 2.169 155 HH11 ARG 22 HH11 ARG 22 -13.655 2.196 -0.138 156 HH12 ARG 22 HH12 ARG 22 -14.544 3.056 1.074 157 HH21 ARG 22 HH21 ARG 22 -13.268 1.201 3.760 158 HH22 ARG 22 HH22 ARG 22 -14.335 2.484 3.283 159 H CYS 23 H CYS 23 -8.879 -1.171 -2.021 160 HA CYS 23 HA CYS 23 -7.414 0.727 -0.338 161 HB2 CYS 23 HB2 CYS 23 -6.234 -0.780 -2.024 162 HB3 CYS 23 HB3 CYS 23 -6.992 0.197 -3.278 163 H LEU 24 H LEU 24 -7.769 2.874 -0.430 164 HA LEU 24 HA LEU 24 -9.981 3.835 -2.023 165 HB2 LEU 24 HB2 LEU 24 -8.306 4.975 0.166 166 HB3 LEU 24 HB3 LEU 24 -9.163 6.079 -0.890 167 HG LEU 24 HG LEU 24 -10.466 5.699 1.101 168 HD11 LEU 24 HD11 LEU 24 -11.699 4.222 -1.214 169 HD12 LEU 24 HD12 LEU 24 -11.661 5.974 -1.023 170 HD13 LEU 24 HD13 LEU 24 -12.555 4.981 0.127 171 HD21 LEU 24 HD21 LEU 24 -11.362 3.450 1.621 172 HD22 LEU 24 HD22 LEU 24 -9.619 3.577 1.825 173 HD23 LEU 24 HD23 LEU 24 -10.281 2.776 0.402 174 H GLU 25 H GLU 25 -6.533 4.747 -1.664 175 HA GLU 25 HA GLU 25 -6.576 5.311 -4.548 176 HB2 GLU 25 HB2 GLU 25 -6.711 7.447 -3.359 177 HB3 GLU 25 HB3 GLU 25 -5.278 7.037 -2.434 178 HG2 GLU 25 HG2 GLU 25 -3.921 7.103 -4.422 179 HG3 GLU 25 HG3 GLU 25 -5.349 7.366 -5.424 180 H GLU 26 H GLU 26 -5.231 3.924 -5.474 181 HA GLU 26 HA GLU 26 -3.217 2.539 -4.004 182 HB2 GLU 26 HB2 GLU 26 -3.744 2.642 -6.971 183 HB3 GLU 26 HB3 GLU 26 -2.622 1.542 -6.188 184 HG2 GLU 26 HG2 GLU 26 -4.456 0.520 -4.960 185 HG3 GLU 26 HG3 GLU 26 -5.592 1.640 -5.712 186 H GLN 27 H GLN 27 -1.053 2.765 -4.026 187 HA GLN 27 HA GLN 27 0.084 5.075 -5.438 188 HB2 GLN 27 HB2 GLN 27 -0.553 5.111 -2.773 189 HB3 GLN 27 HB3 GLN 27 1.111 4.553 -2.723 190 HG2 GLN 27 HG2 GLN 27 0.276 7.023 -4.207 191 HG3 GLN 27 HG3 GLN 27 0.731 7.037 -2.506 192 HE21 GLN 27 HE21 GLN 27 2.869 6.650 -1.935 193 HE22 GLN 27 HE22 GLN 27 4.157 6.744 -3.081 194 H LEU 28 H LEU 28 2.384 4.919 -5.751 195 HA LEU 28 HA LEU 28 3.288 2.144 -5.859 196 HB2 LEU 28 HB2 LEU 28 5.085 3.101 -7.368 197 HB3 LEU 28 HB3 LEU 28 3.447 3.109 -7.981 198 HG LEU 28 HG LEU 28 3.406 5.571 -7.120 199 HD11 LEU 28 HD11 LEU 28 6.371 5.108 -7.397 200 HD12 LEU 28 HD12 LEU 28 5.513 5.529 -5.916 201 HD13 LEU 28 HD13 LEU 28 5.586 6.680 -7.251 202 HD21 LEU 28 HD21 LEU 28 3.232 4.923 -9.448 203 HD22 LEU 28 HD22 LEU 28 4.982 4.726 -9.544 204 HD23 LEU 28 HD23 LEU 28 4.286 6.326 -9.279 205 H GLY 29 H GLY 29 5.082 1.415 -4.841 206 HA2 GLY 29 HA2 GLY 29 7.029 3.106 -3.643 207 HA3 GLY 29 HA3 GLY 29 5.861 2.558 -2.447 208 H LEU 30 H LEU 30 7.972 1.629 -1.614 209 HA LEU 30 HA LEU 30 8.429 -1.009 -2.825 210 HB2 LEU 30 HB2 LEU 30 10.173 0.831 -1.255 211 HB3 LEU 30 HB3 LEU 30 10.449 -0.888 -1.123 212 HG LEU 30 HG LEU 30 11.953 0.095 -2.746 213 HD11 LEU 30 HD11 LEU 30 11.209 -2.185 -3.132 214 HD12 LEU 30 HD12 LEU 30 11.488 -1.343 -4.654 215 HD13 LEU 30 HD13 LEU 30 9.842 -1.593 -4.076 216 HD21 LEU 30 HD21 LEU 30 10.531 2.000 -3.369 217 HD22 LEU 30 HD22 LEU 30 9.503 0.905 -4.295 218 HD23 LEU 30 HD23 LEU 30 11.184 1.148 -4.768 219 H CYS 31 H CYS 31 6.815 -2.187 -1.893 220 HA CYS 31 HA CYS 31 6.885 -2.439 1.038 221 HB2 CYS 31 HB2 CYS 31 4.894 -3.559 -0.951 222 HB3 CYS 31 HB3 CYS 31 4.799 -3.713 0.798 223 HA PRO 32 HA PRO 32 9.074 -6.176 -0.072 224 HB2 PRO 32 HB2 PRO 32 10.334 -6.574 2.226 225 HB3 PRO 32 HB3 PRO 32 10.691 -5.130 1.270 226 HG2 PRO 32 HG2 PRO 32 9.048 -5.410 3.747 227 HG3 PRO 32 HG3 PRO 32 10.101 -4.070 3.247 228 HD2 PRO 32 HD2 PRO 32 7.281 -4.245 2.934 229 HD3 PRO 32 HD3 PRO 32 8.351 -3.017 2.231 230 H LEU 33 H LEU 33 7.365 -7.646 -0.347 231 HA LEU 33 HA LEU 33 7.139 -9.640 1.671 232 HB2 LEU 33 HB2 LEU 33 4.810 -7.807 1.200 233 HB3 LEU 33 HB3 LEU 33 4.545 -9.476 1.662 234 HG LEU 33 HG LEU 33 6.117 -7.462 3.266 235 HD11 LEU 33 HD11 LEU 33 4.264 -7.530 4.834 236 HD12 LEU 33 HD12 LEU 33 3.373 -8.593 3.746 237 HD13 LEU 33 HD13 LEU 33 3.743 -6.940 3.257 238 HD21 LEU 33 HD21 LEU 33 5.916 -9.227 5.029 239 HD22 LEU 33 HD22 LEU 33 6.988 -9.610 3.685 240 HD23 LEU 33 HD23 LEU 33 5.374 -10.326 3.758 241 H LYS 34 H LYS 34 4.425 -9.042 -0.415 242 HA LYS 34 HA LYS 34 5.396 -11.126 -2.243 243 HB2 LYS 34 HB2 LYS 34 2.591 -10.751 -1.158 244 HB3 LYS 34 HB3 LYS 34 3.024 -11.879 -2.441 245 HG2 LYS 34 HG2 LYS 34 4.626 -12.934 -0.798 246 HG3 LYS 34 HG3 LYS 34 3.847 -11.959 0.445 247 HD2 LYS 34 HD2 LYS 34 1.711 -12.981 -0.027 248 HD3 LYS 34 HD3 LYS 34 2.403 -13.882 -1.377 249 HE2 LYS 34 HE2 LYS 34 2.183 -15.338 0.536 250 HE3 LYS 34 HE3 LYS 34 3.888 -15.053 0.207 251 HZ1 LYS 34 HZ1 LYS 34 3.900 -13.398 1.982 252 HZ2 LYS 34 HZ2 LYS 34 3.439 -14.918 2.558 253 HZ3 LYS 34 HZ3 LYS 34 2.273 -13.722 2.310 254 H ARG 35 H ARG 35 2.299 -9.639 -2.477 255 HA ARG 35 HA ARG 35 3.155 -8.081 -4.789 256 HB2 ARG 35 HB2 ARG 35 0.940 -8.542 -5.775 257 HB3 ARG 35 HB3 ARG 35 1.927 -9.981 -5.559 258 HG2 ARG 35 HG2 ARG 35 0.688 -10.632 -3.638 259 HG3 ARG 35 HG3 ARG 35 -0.214 -9.115 -3.655 260 HD2 ARG 35 HD2 ARG 35 -0.224 -11.083 -5.918 261 HD3 ARG 35 HD3 ARG 35 -1.419 -11.098 -4.622 262 HE ARG 35 HE ARG 35 -1.274 -8.514 -5.762 263 HH11 ARG 35 HH11 ARG 35 -2.393 -11.752 -6.503 264 HH12 ARG 35 HH12 ARG 35 -3.659 -11.214 -7.556 265 HH21 ARG 35 HH21 ARG 35 -2.946 -7.802 -7.143 266 HH22 ARG 35 HH22 ARG 35 -3.975 -8.959 -7.927 267 H TRP 36 H TRP 36 3.109 -7.105 -2.183 268 HA TRP 36 HA TRP 36 0.534 -6.150 -1.434 269 HB2 TRP 36 HB2 TRP 36 3.310 -5.849 -0.355 270 HB3 TRP 36 HB3 TRP 36 2.018 -4.832 0.266 271 HD1 TRP 36 HD1 TRP 36 2.067 -8.659 -0.485 272 HE1 TRP 36 HE1 TRP 36 1.215 -9.867 1.600 273 HE3 TRP 36 HE3 TRP 36 1.417 -4.614 2.545 274 HZ2 TRP 36 HZ2 TRP 36 0.381 -9.182 4.227 275 HZ3 TRP 36 HZ3 TRP 36 0.592 -4.976 4.807 276 HH2 TRP 36 HH2 TRP 36 0.091 -7.203 5.641 277 H THR 37 H THR 37 -0.418 -4.344 -1.836 278 HA THR 37 HA THR 37 0.797 -2.447 -3.657 279 HB THR 37 HB THR 37 -2.015 -2.738 -2.579 280 HG1 THR 37 HG1 THR 37 -0.682 -3.530 -4.934 281 HG21 THR 37 HG21 THR 37 -0.949 -0.810 -4.645 282 HG22 THR 37 HG22 THR 37 -1.659 -0.402 -3.080 283 HG23 THR 37 HG23 THR 37 -2.658 -1.117 -4.346 284 H CYS 38 H CYS 38 1.179 -0.261 -3.154 285 HA CYS 38 HA CYS 38 1.185 0.415 -0.330 286 HB2 CYS 38 HB2 CYS 38 1.927 2.166 -2.682 287 HB3 CYS 38 HB3 CYS 38 2.392 2.385 -0.997 288 H CYS 39 H CYS 39 -0.632 1.190 0.568 289 HA CYS 39 HA CYS 39 -2.639 2.292 -1.264 290 HB2 CYS 39 HB2 CYS 39 -3.064 0.315 0.391 291 HB3 CYS 39 HB3 CYS 39 -3.224 1.605 1.576 292 H LYS 40 H LYS 40 -2.860 4.359 -1.335 293 HA LYS 40 HA LYS 40 -1.935 6.084 0.779 294 HB2 LYS 40 HB2 LYS 40 -1.853 6.564 -1.740 295 HB3 LYS 40 HB3 LYS 40 -3.573 6.872 -1.627 296 HG2 LYS 40 HG2 LYS 40 -1.646 8.341 0.124 297 HG3 LYS 40 HG3 LYS 40 -1.927 8.849 -1.539 298 HD2 LYS 40 HD2 LYS 40 -4.413 8.838 -0.925 299 HD3 LYS 40 HD3 LYS 40 -3.867 8.763 0.752 300 HE2 LYS 40 HE2 LYS 40 -4.304 11.065 0.057 301 HE3 LYS 40 HE3 LYS 40 -2.601 10.823 0.441 302 HZ1 LYS 40 HZ1 LYS 40 -3.127 12.110 -1.655 303 HZ2 LYS 40 HZ2 LYS 40 -3.621 10.637 -2.336 304 HZ3 LYS 40 HZ3 LYS 40 -2.024 10.839 -1.815 305 H GLU 41 H GLU 41 -3.174 5.238 2.431 306 HA GLU 41 HA GLU 41 -4.735 5.463 4.019 307 HB2 GLU 41 HB2 GLU 41 -4.919 7.799 3.308 308 HB3 GLU 41 HB3 GLU 41 -6.109 7.348 2.098 309 HG2 GLU 41 HG2 GLU 41 -7.703 6.782 3.754 310 HG3 GLU 41 HG3 GLU 41 -6.501 6.893 5.039 311 H ILE 42 H ILE 42 -6.516 4.363 4.683 312 HA ILE 42 HA ILE 42 -8.038 2.946 2.614 313 HB ILE 42 HB ILE 42 -7.991 0.888 3.871 314 HG12 ILE 42 HG12 ILE 42 -7.787 1.858 6.159 315 HG13 ILE 42 HG13 ILE 42 -6.676 0.531 5.868 316 HG21 ILE 42 HG21 ILE 42 -6.260 1.229 2.232 317 HG22 ILE 42 HG22 ILE 42 -5.642 0.282 3.585 318 HG23 ILE 42 HG23 ILE 42 -5.229 1.992 3.442 319 HD11 ILE 42 HD11 ILE 42 -5.553 2.219 7.114 320 HD12 ILE 42 HD12 ILE 42 -6.025 3.461 5.958 321 HD13 ILE 42 HD13 ILE 42 -4.883 2.207 5.483 Start of MODEL 4 1 H1 ASP 1 H1 ASP 1 19.627 -4.252 -5.314 2 H2 ASP 1 H2 ASP 1 18.269 -3.286 -5.590 3 H3 ASP 1 H3 ASP 1 18.080 -4.852 -4.986 4 HA ASP 1 HA ASP 1 19.418 -2.619 -3.589 5 HB2 ASP 1 HB2 ASP 1 17.473 -2.747 -2.039 6 HB3 ASP 1 HB3 ASP 1 17.027 -2.235 -3.664 7 H THR 2 H THR 2 20.876 -3.295 -2.210 8 HA THR 2 HA THR 2 20.988 -6.052 -1.352 9 HB THR 2 HB THR 2 22.695 -3.769 -0.354 10 HG1 THR 2 HG1 THR 2 22.608 -5.003 -2.845 11 HG21 THR 2 HG21 THR 2 23.244 -6.726 -0.673 12 HG22 THR 2 HG22 THR 2 22.894 -5.906 0.847 13 HG23 THR 2 HG23 THR 2 24.371 -5.529 -0.037 14 H THR 3 H THR 3 20.095 -2.951 -0.167 15 HA THR 3 HA THR 3 18.783 -4.154 2.145 16 HB THR 3 HB THR 3 20.950 -3.310 2.983 17 HG1 THR 3 HG1 THR 3 19.727 -2.924 4.658 18 HG21 THR 3 HG21 THR 3 20.016 -0.631 1.950 19 HG22 THR 3 HG22 THR 3 21.363 -1.579 1.317 20 HG23 THR 3 HG23 THR 3 21.445 -0.908 2.948 21 H SER 4 H SER 4 17.081 -2.640 2.999 22 HA SER 4 HA SER 4 15.688 -1.525 0.786 23 HB2 SER 4 HB2 SER 4 15.016 -1.230 3.721 24 HB3 SER 4 HB3 SER 4 13.918 -1.037 2.353 25 HG SER 4 HG SER 4 14.893 -3.396 2.017 26 H ASP 5 H ASP 5 16.791 0.144 -0.066 27 HA ASP 5 HA ASP 5 16.616 2.662 1.406 28 HB2 ASP 5 HB2 ASP 5 18.955 1.921 1.664 29 HB3 ASP 5 HB3 ASP 5 19.095 1.742 -0.081 30 H PHE 6 H PHE 6 15.033 3.468 0.185 31 HA PHE 6 HA PHE 6 15.319 4.326 -2.455 32 HB2 PHE 6 HB2 PHE 6 13.511 2.646 -3.379 33 HB3 PHE 6 HB3 PHE 6 15.212 2.208 -3.402 34 HD1 PHE 6 HD1 PHE 6 12.777 2.121 -0.568 35 HD2 PHE 6 HD2 PHE 6 15.245 -0.088 -3.242 36 HE1 PHE 6 HE1 PHE 6 12.274 0.057 0.672 37 HE2 PHE 6 HE2 PHE 6 14.742 -2.152 -2.008 38 HZ PHE 6 HZ PHE 6 13.257 -2.082 -0.046 39 H HIS 7 H HIS 7 12.765 4.418 -3.381 40 HA HIS 7 HA HIS 7 11.497 6.031 -1.343 41 HB2 HIS 7 HB2 HIS 7 10.735 5.467 -4.210 42 HB3 HIS 7 HB3 HIS 7 9.821 6.523 -3.143 43 HD1 HIS 7 HD1 HIS 7 12.374 6.645 -5.632 44 HD2 HIS 7 HD2 HIS 7 11.611 8.716 -2.114 45 HE1 HIS 7 HE1 HIS 7 13.728 8.757 -5.781 46 HE2 HIS 7 HE2 HIS 7 13.360 9.926 -3.580 47 H THR 8 H THR 8 10.586 4.863 0.191 48 HA THR 8 HA THR 8 9.398 2.324 -0.270 49 HB THR 8 HB THR 8 8.632 2.776 2.220 50 HG1 THR 8 HG1 THR 8 10.877 4.391 2.394 51 HG21 THR 8 HG21 THR 8 11.527 2.423 1.424 52 HG22 THR 8 HG22 THR 8 10.321 1.139 1.539 53 HG23 THR 8 HG23 THR 8 10.830 2.004 2.990 54 H CYS 9 H CYS 9 7.174 2.172 1.261 55 HA CYS 9 HA CYS 9 5.257 3.483 -0.499 56 HB2 CYS 9 HB2 CYS 9 4.923 1.318 1.591 57 HB3 CYS 9 HB3 CYS 9 3.624 1.933 0.574 58 H GLN 10 H GLN 10 5.213 2.728 2.983 59 HA GLN 10 HA GLN 10 3.626 5.023 3.593 60 HB2 GLN 10 HB2 GLN 10 4.348 4.397 5.993 61 HB3 GLN 10 HB3 GLN 10 3.373 3.233 5.108 62 HG2 GLN 10 HG2 GLN 10 5.444 2.041 4.495 63 HG3 GLN 10 HG3 GLN 10 6.351 3.150 5.517 64 HE21 GLN 10 HE21 GLN 10 6.055 0.265 5.680 65 HE22 GLN 10 HE22 GLN 10 5.416 -0.070 7.246 66 H ASP 11 H ASP 11 4.482 6.916 3.224 67 HA ASP 11 HA ASP 11 6.526 8.258 4.371 68 HB2 ASP 11 HB2 ASP 11 8.019 6.400 3.543 69 HB3 ASP 11 HB3 ASP 11 7.618 6.882 1.900 70 H LYS 12 H LYS 12 5.519 7.374 1.076 71 HA LYS 12 HA LYS 12 5.345 10.245 0.407 72 HB2 LYS 12 HB2 LYS 12 5.169 7.959 -1.531 73 HB3 LYS 12 HB3 LYS 12 5.533 9.635 -1.881 74 HG2 LYS 12 HG2 LYS 12 7.712 9.399 -0.810 75 HG3 LYS 12 HG3 LYS 12 7.348 7.712 -0.433 76 HD2 LYS 12 HD2 LYS 12 7.389 8.846 -3.224 77 HD3 LYS 12 HD3 LYS 12 8.753 8.024 -2.470 78 HE2 LYS 12 HE2 LYS 12 7.638 5.969 -2.424 79 HE3 LYS 12 HE3 LYS 12 6.063 6.710 -2.664 80 HZ1 LYS 12 HZ1 LYS 12 6.764 5.653 -4.673 81 HZ2 LYS 12 HZ2 LYS 12 8.229 6.498 -4.677 82 HZ3 LYS 12 HZ3 LYS 12 6.773 7.327 -4.912 83 H GLY 13 H GLY 13 3.563 7.248 0.542 84 HA2 GLY 13 HA2 GLY 13 1.163 8.667 -0.418 85 HA3 GLY 13 HA3 GLY 13 1.541 7.034 -0.925 86 H GLY 14 H GLY 14 1.495 5.377 0.600 87 HA2 GLY 14 HA2 GLY 14 0.204 5.899 3.125 88 HA3 GLY 14 HA3 GLY 14 -0.753 4.997 1.963 89 H HIS 15 H HIS 15 -0.645 3.375 3.718 90 HA HIS 15 HA HIS 15 1.954 2.149 4.156 91 HB2 HIS 15 HB2 HIS 15 0.947 1.016 5.960 92 HB3 HIS 15 HB3 HIS 15 0.167 2.591 5.960 93 HD1 HIS 15 HD1 HIS 15 -0.662 -0.776 6.412 94 HD2 HIS 15 HD2 HIS 15 -2.374 2.319 4.213 95 HE1 HIS 15 HE1 HIS 15 -3.051 -1.457 6.051 96 HE2 HIS 15 HE2 HIS 15 -4.111 0.513 4.902 97 H CYS 16 H CYS 16 2.078 -0.241 4.101 98 HA CYS 16 HA CYS 16 1.294 -1.156 1.494 99 HB2 CYS 16 HB2 CYS 16 2.722 -2.599 3.737 100 HB3 CYS 16 HB3 CYS 16 2.603 -3.147 2.066 101 H VAL 17 H VAL 17 -0.382 -2.396 0.998 102 HA VAL 17 HA VAL 17 -1.843 -3.687 3.207 103 HB VAL 17 HB VAL 17 -3.908 -3.361 2.070 104 HG11 VAL 17 HG11 VAL 17 -3.275 -1.470 3.370 105 HG12 VAL 17 HG12 VAL 17 -4.025 -0.880 1.886 106 HG13 VAL 17 HG13 VAL 17 -2.271 -0.842 2.065 107 HG21 VAL 17 HG21 VAL 17 -3.177 -3.730 -0.218 108 HG22 VAL 17 HG22 VAL 17 -2.340 -2.177 -0.217 109 HG23 VAL 17 HG23 VAL 17 -4.099 -2.231 -0.099 110 H SER 18 H SER 18 -2.530 -5.726 2.941 111 HA SER 18 HA SER 18 -1.121 -7.349 1.092 112 HB2 SER 18 HB2 SER 18 -2.214 -9.171 2.166 113 HB3 SER 18 HB3 SER 18 -1.882 -7.993 3.417 114 HG SER 18 HG SER 18 -4.140 -9.056 3.079 115 HA PRO 19 HA PRO 19 -3.636 -7.168 -2.468 116 HB2 PRO 19 HB2 PRO 19 -3.626 -9.775 -3.314 117 HB3 PRO 19 HB3 PRO 19 -2.286 -8.643 -3.531 118 HG2 PRO 19 HG2 PRO 19 -2.687 -10.715 -1.407 119 HG3 PRO 19 HG3 PRO 19 -1.226 -10.330 -2.335 120 HD2 PRO 19 HD2 PRO 19 -1.523 -9.436 0.156 121 HD3 PRO 19 HD3 PRO 19 -0.795 -8.412 -1.100 122 H LYS 20 H LYS 20 -5.125 -7.752 0.082 123 HA LYS 20 HA LYS 20 -7.551 -8.768 -1.228 124 HB2 LYS 20 HB2 LYS 20 -6.652 -10.500 0.311 125 HB3 LYS 20 HB3 LYS 20 -6.732 -9.345 1.633 126 HG2 LYS 20 HG2 LYS 20 -8.623 -10.772 1.800 127 HG3 LYS 20 HG3 LYS 20 -9.195 -9.194 1.250 128 HD2 LYS 20 HD2 LYS 20 -8.949 -10.190 -1.120 129 HD3 LYS 20 HD3 LYS 20 -8.915 -11.749 -0.295 130 HE2 LYS 20 HE2 LYS 20 -11.169 -11.325 -0.939 131 HE3 LYS 20 HE3 LYS 20 -11.067 -11.111 0.808 132 HZ1 LYS 20 HZ1 LYS 20 -10.897 -8.707 0.436 133 HZ2 LYS 20 HZ2 LYS 20 -12.343 -9.340 -0.163 134 HZ3 LYS 20 HZ3 LYS 20 -11.091 -8.949 -1.227 135 H ILE 21 H ILE 21 -5.978 -6.281 0.264 136 HA ILE 21 HA ILE 21 -8.196 -5.278 1.851 137 HB ILE 21 HB ILE 21 -5.504 -4.020 1.319 138 HG12 ILE 21 HG12 ILE 21 -5.222 -6.182 2.414 139 HG13 ILE 21 HG13 ILE 21 -4.868 -4.880 3.544 140 HG21 ILE 21 HG21 ILE 21 -5.962 -2.692 3.326 141 HG22 ILE 21 HG22 ILE 21 -7.558 -3.435 3.447 142 HG23 ILE 21 HG23 ILE 21 -7.165 -2.410 2.067 143 HD11 ILE 21 HD11 ILE 21 -6.126 -6.632 4.627 144 HD12 ILE 21 HD12 ILE 21 -7.404 -6.490 3.424 145 HD13 ILE 21 HD13 ILE 21 -7.090 -5.159 4.536 146 H ARG 22 H ARG 22 -9.349 -3.457 1.434 147 HA ARG 22 HA ARG 22 -9.663 -2.682 -1.302 148 HB2 ARG 22 HB2 ARG 22 -11.601 -2.891 0.138 149 HB3 ARG 22 HB3 ARG 22 -10.943 -1.708 1.255 150 HG2 ARG 22 HG2 ARG 22 -11.013 -0.105 -0.761 151 HG3 ARG 22 HG3 ARG 22 -12.122 -1.292 -1.451 152 HD2 ARG 22 HD2 ARG 22 -13.391 0.409 -0.301 153 HD3 ARG 22 HD3 ARG 22 -13.522 -1.115 0.575 154 HE ARG 22 HE ARG 22 -11.458 0.089 1.812 155 HH11 ARG 22 HH11 ARG 22 -14.717 1.130 1.057 156 HH12 ARG 22 HH12 ARG 22 -14.788 2.268 2.363 157 HH21 ARG 22 HH21 ARG 22 -11.538 1.597 3.522 158 HH22 ARG 22 HH22 ARG 22 -12.979 2.537 3.757 159 H CYS 23 H CYS 23 -8.754 -1.003 -2.304 160 HA CYS 23 HA CYS 23 -7.133 0.860 -0.737 161 HB2 CYS 23 HB2 CYS 23 -7.202 0.327 -3.711 162 HB3 CYS 23 HB3 CYS 23 -6.095 1.416 -2.895 163 H LEU 24 H LEU 24 -7.665 2.948 -0.520 164 HA LEU 24 HA LEU 24 -9.967 4.005 -1.925 165 HB2 LEU 24 HB2 LEU 24 -8.310 4.827 0.375 166 HB3 LEU 24 HB3 LEU 24 -8.937 6.138 -0.603 167 HG LEU 24 HG LEU 24 -10.384 5.627 1.320 168 HD11 LEU 24 HD11 LEU 24 -12.487 5.519 0.095 169 HD12 LEU 24 HD12 LEU 24 -11.632 4.980 -1.347 170 HD13 LEU 24 HD13 LEU 24 -11.345 6.596 -0.704 171 HD21 LEU 24 HD21 LEU 24 -11.684 3.555 1.347 172 HD22 LEU 24 HD22 LEU 24 -9.956 3.240 1.503 173 HD23 LEU 24 HD23 LEU 24 -10.766 2.964 -0.039 174 H GLU 25 H GLU 25 -6.491 4.721 -1.679 175 HA GLU 25 HA GLU 25 -6.595 5.539 -4.485 176 HB2 GLU 25 HB2 GLU 25 -6.673 7.611 -3.162 177 HB3 GLU 25 HB3 GLU 25 -5.217 7.125 -2.311 178 HG2 GLU 25 HG2 GLU 25 -4.629 8.729 -3.972 179 HG3 GLU 25 HG3 GLU 25 -4.003 7.159 -4.467 180 H GLU 26 H GLU 26 -5.271 4.140 -5.482 181 HA GLU 26 HA GLU 26 -3.236 2.734 -4.057 182 HB2 GLU 26 HB2 GLU 26 -3.902 2.856 -6.990 183 HB3 GLU 26 HB3 GLU 26 -2.646 1.827 -6.319 184 HG2 GLU 26 HG2 GLU 26 -4.288 0.660 -4.969 185 HG3 GLU 26 HG3 GLU 26 -5.561 1.710 -5.584 186 H GLN 27 H GLN 27 -1.050 2.895 -4.202 187 HA GLN 27 HA GLN 27 0.088 5.250 -5.516 188 HB2 GLN 27 HB2 GLN 27 -0.612 5.268 -2.848 189 HB3 GLN 27 HB3 GLN 27 1.072 4.779 -2.783 190 HG2 GLN 27 HG2 GLN 27 0.120 7.210 -4.253 191 HG3 GLN 27 HG3 GLN 27 0.621 7.233 -2.571 192 HE21 GLN 27 HE21 GLN 27 2.787 6.923 -2.056 193 HE22 GLN 27 HE22 GLN 27 4.035 7.081 -3.247 194 H LEU 28 H LEU 28 2.456 5.117 -5.647 195 HA LEU 28 HA LEU 28 3.290 2.308 -5.758 196 HB2 LEU 28 HB2 LEU 28 5.013 3.233 -7.428 197 HB3 LEU 28 HB3 LEU 28 3.354 3.028 -7.945 198 HG LEU 28 HG LEU 28 3.091 5.541 -7.378 199 HD11 LEU 28 HD11 LEU 28 5.215 5.821 -6.207 200 HD12 LEU 28 HD12 LEU 28 5.120 6.862 -7.628 201 HD13 LEU 28 HD13 LEU 28 6.084 5.387 -7.679 202 HD21 LEU 28 HD21 LEU 28 3.863 6.146 -9.615 203 HD22 LEU 28 HD22 LEU 28 2.988 4.614 -9.619 204 HD23 LEU 28 HD23 LEU 28 4.749 4.625 -9.719 205 H GLY 29 H GLY 29 5.015 1.618 -4.731 206 HA2 GLY 29 HA2 GLY 29 7.194 3.247 -3.924 207 HA3 GLY 29 HA3 GLY 29 6.118 2.932 -2.567 208 H LEU 30 H LEU 30 8.156 1.841 -1.802 209 HA LEU 30 HA LEU 30 8.453 -0.830 -2.980 210 HB2 LEU 30 HB2 LEU 30 10.296 0.915 -1.411 211 HB3 LEU 30 HB3 LEU 30 10.519 -0.820 -1.373 212 HG LEU 30 HG LEU 30 11.999 0.196 -3.001 213 HD11 LEU 30 HD11 LEU 30 11.133 -2.041 -3.455 214 HD12 LEU 30 HD12 LEU 30 11.438 -1.143 -4.942 215 HD13 LEU 30 HD13 LEU 30 9.788 -1.338 -4.353 216 HD21 LEU 30 HD21 LEU 30 9.535 1.136 -4.448 217 HD22 LEU 30 HD22 LEU 30 11.215 1.400 -4.915 218 HD23 LEU 30 HD23 LEU 30 10.569 2.167 -3.459 219 H CYS 31 H CYS 31 6.971 -2.092 -2.038 220 HA CYS 31 HA CYS 31 7.008 -2.298 0.895 221 HB2 CYS 31 HB2 CYS 31 5.089 -3.453 -1.142 222 HB3 CYS 31 HB3 CYS 31 5.002 -3.741 0.591 223 HA PRO 32 HA PRO 32 9.169 -6.113 -0.002 224 HB2 PRO 32 HB2 PRO 32 10.327 -6.442 2.358 225 HB3 PRO 32 HB3 PRO 32 10.746 -5.034 1.374 226 HG2 PRO 32 HG2 PRO 32 9.049 -5.202 3.814 227 HG3 PRO 32 HG3 PRO 32 10.068 -3.864 3.248 228 HD2 PRO 32 HD2 PRO 32 7.238 -4.216 2.879 229 HD3 PRO 32 HD3 PRO 32 8.256 -2.898 2.259 230 H LEU 33 H LEU 33 7.410 -7.526 -0.283 231 HA LEU 33 HA LEU 33 7.062 -9.495 1.708 232 HB2 LEU 33 HB2 LEU 33 4.824 -7.521 1.325 233 HB3 LEU 33 HB3 LEU 33 4.481 -9.181 1.761 234 HG LEU 33 HG LEU 33 6.143 -7.250 3.377 235 HD11 LEU 33 HD11 LEU 33 4.322 -7.343 4.990 236 HD12 LEU 33 HD12 LEU 33 3.387 -8.338 3.874 237 HD13 LEU 33 HD13 LEU 33 3.795 -6.677 3.445 238 HD21 LEU 33 HD21 LEU 33 6.984 -9.434 3.721 239 HD22 LEU 33 HD22 LEU 33 5.356 -10.104 3.860 240 HD23 LEU 33 HD23 LEU 33 5.981 -9.030 5.113 241 H LYS 34 H LYS 34 4.358 -8.645 -0.323 242 HA LYS 34 HA LYS 34 5.176 -10.618 -2.320 243 HB2 LYS 34 HB2 LYS 34 2.484 -10.545 -0.953 244 HB3 LYS 34 HB3 LYS 34 2.985 -11.685 -2.200 245 HG2 LYS 34 HG2 LYS 34 4.746 -12.504 -0.631 246 HG3 LYS 34 HG3 LYS 34 4.036 -11.476 0.612 247 HD2 LYS 34 HD2 LYS 34 1.866 -12.660 0.227 248 HD3 LYS 34 HD3 LYS 34 2.733 -13.785 -0.817 249 HE2 LYS 34 HE2 LYS 34 3.285 -13.284 2.103 250 HE3 LYS 34 HE3 LYS 34 2.460 -14.687 1.434 251 HZ1 LYS 34 HZ1 LYS 34 4.520 -15.200 0.210 252 HZ2 LYS 34 HZ2 LYS 34 4.721 -15.246 1.883 253 HZ3 LYS 34 HZ3 LYS 34 5.297 -13.924 1.003 254 H ARG 35 H ARG 35 1.978 -10.071 -2.713 255 HA ARG 35 HA ARG 35 2.356 -8.124 -4.790 256 HB2 ARG 35 HB2 ARG 35 0.992 -10.106 -5.213 257 HB3 ARG 35 HB3 ARG 35 -0.080 -9.672 -3.887 258 HG2 ARG 35 HG2 ARG 35 -0.679 -7.628 -5.071 259 HG3 ARG 35 HG3 ARG 35 0.330 -8.130 -6.424 260 HD2 ARG 35 HD2 ARG 35 -1.071 -9.997 -6.879 261 HD3 ARG 35 HD3 ARG 35 -1.954 -9.778 -5.368 262 HE ARG 35 HE ARG 35 -2.374 -7.441 -6.645 263 HH11 ARG 35 HH11 ARG 35 -2.762 -10.780 -7.628 264 HH12 ARG 35 HH12 ARG 35 -4.053 -10.439 -8.734 265 HH21 ARG 35 HH21 ARG 35 -4.085 -6.986 -8.084 266 HH22 ARG 35 HH22 ARG 35 -4.816 -8.274 -8.985 267 H TRP 36 H TRP 36 2.788 -7.137 -2.169 268 HA TRP 36 HA TRP 36 0.382 -5.989 -1.135 269 HB2 TRP 36 HB2 TRP 36 3.272 -5.851 -0.362 270 HB3 TRP 36 HB3 TRP 36 2.083 -4.800 0.402 271 HD1 TRP 36 HD1 TRP 36 2.116 -8.617 -0.403 272 HE1 TRP 36 HE1 TRP 36 1.305 -9.855 1.702 273 HE3 TRP 36 HE3 TRP 36 1.396 -4.602 2.653 274 HZ2 TRP 36 HZ2 TRP 36 0.464 -9.192 4.331 275 HZ3 TRP 36 HZ3 TRP 36 0.585 -4.983 4.915 276 HH2 TRP 36 HH2 TRP 36 0.133 -7.222 5.748 277 H THR 37 H THR 37 -0.513 -4.170 -1.564 278 HA THR 37 HA THR 37 0.663 -2.376 -3.529 279 HB THR 37 HB THR 37 -2.090 -2.569 -2.295 280 HG1 THR 37 HG1 THR 37 -1.138 -4.073 -4.034 281 HG21 THR 37 HG21 THR 37 -1.062 -0.631 -4.368 282 HG22 THR 37 HG22 THR 37 -1.772 -0.250 -2.792 283 HG23 THR 37 HG23 THR 37 -2.774 -0.941 -4.073 284 H CYS 38 H CYS 38 1.087 -0.169 -3.164 285 HA CYS 38 HA CYS 38 1.270 0.634 -0.363 286 HB2 CYS 38 HB2 CYS 38 2.011 2.242 -2.818 287 HB3 CYS 38 HB3 CYS 38 2.593 2.460 -1.172 288 H CYS 39 H CYS 39 -0.891 0.908 0.198 289 HA CYS 39 HA CYS 39 -2.593 2.421 -1.587 290 HB2 CYS 39 HB2 CYS 39 -2.988 0.697 0.795 291 HB3 CYS 39 HB3 CYS 39 -4.258 1.826 0.356 292 H LYS 40 H LYS 40 -2.755 4.510 -1.449 293 HA LYS 40 HA LYS 40 -1.969 5.976 0.886 294 HB2 LYS 40 HB2 LYS 40 -1.884 6.720 -1.625 295 HB3 LYS 40 HB3 LYS 40 -3.564 7.162 -1.365 296 HG2 LYS 40 HG2 LYS 40 -1.323 8.162 0.370 297 HG3 LYS 40 HG3 LYS 40 -1.878 9.007 -1.075 298 HD2 LYS 40 HD2 LYS 40 -3.957 9.487 -0.138 299 HD3 LYS 40 HD3 LYS 40 -3.796 8.227 1.082 300 HE2 LYS 40 HE2 LYS 40 -2.087 10.707 0.978 301 HE3 LYS 40 HE3 LYS 40 -3.547 10.559 1.952 302 HZ1 LYS 40 HZ1 LYS 40 -2.514 8.701 3.133 303 HZ2 LYS 40 HZ2 LYS 40 -1.584 10.108 3.267 304 HZ3 LYS 40 HZ3 LYS 40 -1.103 8.880 2.208 305 H GLU 41 H GLU 41 -3.215 5.178 2.464 306 HA GLU 41 HA GLU 41 -4.886 5.066 3.934 307 HB2 GLU 41 HB2 GLU 41 -6.450 6.926 2.146 308 HB3 GLU 41 HB3 GLU 41 -6.785 6.532 3.821 309 HG2 GLU 41 HG2 GLU 41 -4.571 8.203 2.714 310 HG3 GLU 41 HG3 GLU 41 -5.807 8.646 3.882 311 H ILE 42 H ILE 42 -6.832 3.984 4.332 312 HA ILE 42 HA ILE 42 -7.999 2.568 2.058 313 HB ILE 42 HB ILE 42 -7.813 0.416 3.129 314 HG12 ILE 42 HG12 ILE 42 -7.896 1.196 5.493 315 HG13 ILE 42 HG13 ILE 42 -6.630 0.017 5.202 316 HG21 ILE 42 HG21 ILE 42 -5.384 0.063 3.044 317 HG22 ILE 42 HG22 ILE 42 -5.157 1.811 3.010 318 HG23 ILE 42 HG23 ILE 42 -5.997 1.004 1.686 319 HD11 ILE 42 HD11 ILE 42 -5.783 1.700 6.656 320 HD12 ILE 42 HD12 ILE 42 -6.304 2.979 5.567 321 HD13 ILE 42 HD13 ILE 42 -4.999 1.896 5.089 Start of MODEL 5 1 H1 ASP 1 H1 ASP 1 16.870 -4.437 -3.028 2 H2 ASP 1 H2 ASP 1 17.603 -5.556 -4.057 3 H3 ASP 1 H3 ASP 1 17.087 -4.065 -4.662 4 HA ASP 1 HA ASP 1 19.474 -4.095 -4.385 5 HB2 ASP 1 HB2 ASP 1 18.064 -2.000 -3.953 6 HB3 ASP 1 HB3 ASP 1 18.269 -2.342 -2.236 7 H THR 2 H THR 2 21.229 -3.831 -2.673 8 HA THR 2 HA THR 2 21.215 -6.024 -0.877 9 HB THR 2 HB THR 2 23.065 -3.635 -0.809 10 HG1 THR 2 HG1 THR 2 22.742 -5.612 -2.695 11 HG21 THR 2 HG21 THR 2 23.473 -6.515 0.015 12 HG22 THR 2 HG22 THR 2 23.253 -5.150 1.110 13 HG23 THR 2 HG23 THR 2 24.688 -5.238 0.087 14 H THR 3 H THR 3 20.534 -2.635 -0.602 15 HA THR 3 HA THR 3 19.594 -3.040 2.142 16 HB THR 3 HB THR 3 21.831 -2.039 2.304 17 HG1 THR 3 HG1 THR 3 20.208 -1.380 3.809 18 HG21 THR 3 HG21 THR 3 20.679 0.198 0.637 19 HG22 THR 3 HG22 THR 3 21.936 -0.938 0.140 20 HG23 THR 3 HG23 THR 3 22.252 0.219 1.434 21 H SER 4 H SER 4 17.897 -1.599 2.761 22 HA SER 4 HA SER 4 16.252 -0.873 0.541 23 HB2 SER 4 HB2 SER 4 15.774 -0.376 3.486 24 HB3 SER 4 HB3 SER 4 14.565 -0.337 2.199 25 HG SER 4 HG SER 4 15.830 -2.669 2.064 26 H ASP 5 H ASP 5 17.138 0.806 -0.557 27 HA ASP 5 HA ASP 5 16.859 3.412 0.752 28 HB2 ASP 5 HB2 ASP 5 19.297 2.797 0.703 29 HB3 ASP 5 HB3 ASP 5 19.189 2.720 -1.054 30 H PHE 6 H PHE 6 15.066 3.997 -0.323 31 HA PHE 6 HA PHE 6 15.045 4.683 -3.032 32 HB2 PHE 6 HB2 PHE 6 13.268 2.847 -3.648 33 HB3 PHE 6 HB3 PHE 6 14.981 2.485 -3.788 34 HD1 PHE 6 HD1 PHE 6 15.215 0.239 -3.398 35 HD2 PHE 6 HD2 PHE 6 12.744 2.518 -0.787 36 HE1 PHE 6 HE1 PHE 6 14.938 -1.727 -1.950 37 HE2 PHE 6 HE2 PHE 6 12.462 0.552 0.667 38 HZ PHE 6 HZ PHE 6 13.560 -1.576 0.085 39 H HIS 7 H HIS 7 12.450 4.580 -3.726 40 HA HIS 7 HA HIS 7 11.227 6.254 -1.707 41 HB2 HIS 7 HB2 HIS 7 10.396 5.471 -4.499 42 HB3 HIS 7 HB3 HIS 7 9.363 6.409 -3.431 43 HD1 HIS 7 HD1 HIS 7 11.795 6.845 -6.002 44 HD2 HIS 7 HD2 HIS 7 10.817 8.859 -2.500 45 HE1 HIS 7 HE1 HIS 7 12.800 9.138 -6.243 46 HE2 HIS 7 HE2 HIS 7 12.184 10.351 -4.119 47 H THR 8 H THR 8 10.557 5.081 -0.032 48 HA THR 8 HA THR 8 9.403 2.516 -0.214 49 HB THR 8 HB THR 8 8.703 3.051 2.206 50 HG1 THR 8 HG1 THR 8 9.859 4.899 3.048 51 HG21 THR 8 HG21 THR 8 11.013 2.820 3.012 52 HG22 THR 8 HG22 THR 8 11.611 3.234 1.406 53 HG23 THR 8 HG23 THR 8 10.693 1.748 1.648 54 H CYS 9 H CYS 9 7.210 2.421 1.320 55 HA CYS 9 HA CYS 9 5.236 3.599 -0.480 56 HB2 CYS 9 HB2 CYS 9 5.026 1.430 1.634 57 HB3 CYS 9 HB3 CYS 9 3.659 2.022 0.691 58 H GLN 10 H GLN 10 5.285 2.917 3.010 59 HA GLN 10 HA GLN 10 3.596 5.201 3.507 60 HB2 GLN 10 HB2 GLN 10 4.011 4.490 5.942 61 HB3 GLN 10 HB3 GLN 10 3.142 3.365 4.908 62 HG2 GLN 10 HG2 GLN 10 5.380 2.246 4.503 63 HG3 GLN 10 HG3 GLN 10 5.986 3.215 5.844 64 HE21 GLN 10 HE21 GLN 10 5.736 0.340 5.562 65 HE22 GLN 10 HE22 GLN 10 4.742 -0.193 6.870 66 H ASP 11 H ASP 11 4.511 7.081 3.275 67 HA ASP 11 HA ASP 11 6.228 8.450 4.773 68 HB2 ASP 11 HB2 ASP 11 7.950 6.628 4.277 69 HB3 ASP 11 HB3 ASP 11 7.951 7.195 2.612 70 H LYS 12 H LYS 12 6.030 7.535 1.333 71 HA LYS 12 HA LYS 12 5.752 10.344 0.580 72 HB2 LYS 12 HB2 LYS 12 5.916 7.847 -1.119 73 HB3 LYS 12 HB3 LYS 12 5.890 9.488 -1.736 74 HG2 LYS 12 HG2 LYS 12 8.102 8.665 -1.829 75 HG3 LYS 12 HG3 LYS 12 8.052 9.892 -0.570 76 HD2 LYS 12 HD2 LYS 12 7.921 8.109 1.101 77 HD3 LYS 12 HD3 LYS 12 7.993 6.898 -0.178 78 HE2 LYS 12 HE2 LYS 12 10.179 7.114 0.755 79 HE3 LYS 12 HE3 LYS 12 10.193 7.853 -0.845 80 HZ1 LYS 12 HZ1 LYS 12 11.358 9.207 0.785 81 HZ2 LYS 12 HZ2 LYS 12 9.955 9.321 1.731 82 HZ3 LYS 12 HZ3 LYS 12 10.003 10.025 0.190 83 H GLY 13 H GLY 13 3.992 7.328 0.686 84 HA2 GLY 13 HA2 GLY 13 1.609 8.725 -0.347 85 HA3 GLY 13 HA3 GLY 13 2.004 7.084 -0.809 86 H GLY 14 H GLY 14 1.859 5.439 0.715 87 HA2 GLY 14 HA2 GLY 14 0.512 5.956 3.198 88 HA3 GLY 14 HA3 GLY 14 -0.505 5.225 1.974 89 H HIS 15 H HIS 15 -0.686 3.501 3.531 90 HA HIS 15 HA HIS 15 1.755 2.093 4.260 91 HB2 HIS 15 HB2 HIS 15 0.474 1.022 5.937 92 HB3 HIS 15 HB3 HIS 15 -0.123 2.669 5.903 93 HD1 HIS 15 HD1 HIS 15 -1.400 -0.499 6.357 94 HD2 HIS 15 HD2 HIS 15 -2.488 2.633 3.839 95 HE1 HIS 15 HE1 HIS 15 -3.795 -0.927 5.735 96 HE2 HIS 15 HE2 HIS 15 -4.472 1.068 4.364 97 H CYS 16 H CYS 16 1.882 -0.218 4.110 98 HA CYS 16 HA CYS 16 1.149 -1.107 1.476 99 HB2 CYS 16 HB2 CYS 16 2.574 -2.574 3.708 100 HB3 CYS 16 HB3 CYS 16 2.484 -3.085 2.024 101 H VAL 17 H VAL 17 -0.484 -2.416 0.930 102 HA VAL 17 HA VAL 17 -1.953 -3.741 3.110 103 HB VAL 17 HB VAL 17 -4.038 -3.435 1.899 104 HG11 VAL 17 HG11 VAL 17 -2.543 -0.842 2.263 105 HG12 VAL 17 HG12 VAL 17 -3.443 -1.724 3.496 106 HG13 VAL 17 HG13 VAL 17 -4.294 -1.002 2.132 107 HG21 VAL 17 HG21 VAL 17 -2.426 -1.871 -0.118 108 HG22 VAL 17 HG22 VAL 17 -4.187 -2.001 -0.089 109 HG23 VAL 17 HG23 VAL 17 -3.200 -3.433 -0.387 110 H SER 18 H SER 18 -2.593 -5.765 2.818 111 HA SER 18 HA SER 18 -1.174 -7.335 0.933 112 HB2 SER 18 HB2 SER 18 -2.203 -9.203 2.034 113 HB3 SER 18 HB3 SER 18 -1.787 -8.031 3.265 114 HG SER 18 HG SER 18 -3.884 -7.509 3.516 115 HA PRO 19 HA PRO 19 -3.767 -7.351 -2.568 116 HB2 PRO 19 HB2 PRO 19 -3.681 -9.987 -3.324 117 HB3 PRO 19 HB3 PRO 19 -2.386 -8.819 -3.606 118 HG2 PRO 19 HG2 PRO 19 -2.681 -10.820 -1.395 119 HG3 PRO 19 HG3 PRO 19 -1.248 -10.431 -2.367 120 HD2 PRO 19 HD2 PRO 19 -1.519 -9.442 0.089 121 HD3 PRO 19 HD3 PRO 19 -0.866 -8.436 -1.221 122 H LYS 20 H LYS 20 -5.199 -7.905 0.030 123 HA LYS 20 HA LYS 20 -7.667 -8.792 -1.243 124 HB2 LYS 20 HB2 LYS 20 -6.640 -10.789 -0.111 125 HB3 LYS 20 HB3 LYS 20 -6.769 -9.928 1.415 126 HG2 LYS 20 HG2 LYS 20 -8.583 -11.518 1.154 127 HG3 LYS 20 HG3 LYS 20 -9.199 -9.865 1.184 128 HD2 LYS 20 HD2 LYS 20 -9.353 -9.895 -1.268 129 HD3 LYS 20 HD3 LYS 20 -8.762 -11.557 -1.278 130 HE2 LYS 20 HE2 LYS 20 -10.705 -12.229 0.072 131 HE3 LYS 20 HE3 LYS 20 -11.299 -10.572 0.020 132 HZ1 LYS 20 HZ1 LYS 20 -10.938 -12.383 -2.306 133 HZ2 LYS 20 HZ2 LYS 20 -11.421 -10.766 -2.407 134 HZ3 LYS 20 HZ3 LYS 20 -12.409 -11.894 -1.628 135 H ILE 21 H ILE 21 -6.223 -6.388 -0.023 136 HA ILE 21 HA ILE 21 -8.241 -5.570 1.953 137 HB ILE 21 HB ILE 21 -5.573 -4.310 1.293 138 HG12 ILE 21 HG12 ILE 21 -5.327 -6.491 2.400 139 HG13 ILE 21 HG13 ILE 21 -4.812 -5.175 3.448 140 HG21 ILE 21 HG21 ILE 21 -7.517 -3.682 3.511 141 HG22 ILE 21 HG22 ILE 21 -7.176 -2.672 2.107 142 HG23 ILE 21 HG23 ILE 21 -5.920 -2.962 3.309 143 HD11 ILE 21 HD11 ILE 21 -6.066 -6.845 4.677 144 HD12 ILE 21 HD12 ILE 21 -7.443 -6.622 3.599 145 HD13 ILE 21 HD13 ILE 21 -6.925 -5.305 4.651 146 H ARG 22 H ARG 22 -9.520 -3.788 1.592 147 HA ARG 22 HA ARG 22 -9.840 -2.781 -1.038 148 HB2 ARG 22 HB2 ARG 22 -11.416 -1.213 -0.088 149 HB3 ARG 22 HB3 ARG 22 -11.678 -2.813 0.593 150 HG2 ARG 22 HG2 ARG 22 -10.570 -2.188 2.617 151 HG3 ARG 22 HG3 ARG 22 -10.113 -0.629 1.939 152 HD2 ARG 22 HD2 ARG 22 -12.955 -1.532 2.230 153 HD3 ARG 22 HD3 ARG 22 -12.109 -0.610 3.473 154 HE ARG 22 HE ARG 22 -11.933 0.662 0.935 155 HH11 ARG 22 HH11 ARG 22 -14.079 0.170 3.660 156 HH12 ARG 22 HH12 ARG 22 -15.005 1.604 3.348 157 HH21 ARG 22 HH21 ARG 22 -13.168 2.528 0.509 158 HH22 ARG 22 HH22 ARG 22 -14.494 2.940 1.554 159 H CYS 23 H CYS 23 -9.086 -0.943 -1.964 160 HA CYS 23 HA CYS 23 -7.284 0.731 -0.358 161 HB2 CYS 23 HB2 CYS 23 -6.164 -0.825 -2.051 162 HB3 CYS 23 HB3 CYS 23 -6.911 0.174 -3.296 163 H LEU 24 H LEU 24 -7.672 2.862 -0.417 164 HA LEU 24 HA LEU 24 -9.864 3.824 -2.022 165 HB2 LEU 24 HB2 LEU 24 -8.198 4.945 0.173 166 HB3 LEU 24 HB3 LEU 24 -8.988 6.075 -0.911 167 HG LEU 24 HG LEU 24 -10.353 5.737 1.057 168 HD11 LEU 24 HD11 LEU 24 -11.578 4.324 -1.302 169 HD12 LEU 24 HD12 LEU 24 -11.474 6.071 -1.099 170 HD13 LEU 24 HD13 LEU 24 -12.438 5.109 0.019 171 HD21 LEU 24 HD21 LEU 24 -9.606 3.570 1.773 172 HD22 LEU 24 HD22 LEU 24 -10.270 2.816 0.328 173 HD23 LEU 24 HD23 LEU 24 -11.350 3.520 1.531 174 H GLU 25 H GLU 25 -6.423 4.750 -1.660 175 HA GLU 25 HA GLU 25 -6.479 5.338 -4.540 176 HB2 GLU 25 HB2 GLU 25 -6.574 7.436 -3.156 177 HB3 GLU 25 HB3 GLU 25 -4.995 7.009 -2.512 178 HG2 GLU 25 HG2 GLU 25 -4.035 7.112 -4.737 179 HG3 GLU 25 HG3 GLU 25 -5.620 7.478 -5.415 180 H GLU 26 H GLU 26 -5.089 4.034 -5.533 181 HA GLU 26 HA GLU 26 -3.081 2.643 -4.038 182 HB2 GLU 26 HB2 GLU 26 -3.669 2.680 -6.993 183 HB3 GLU 26 HB3 GLU 26 -2.452 1.661 -6.242 184 HG2 GLU 26 HG2 GLU 26 -4.236 0.644 -4.852 185 HG3 GLU 26 HG3 GLU 26 -5.419 1.579 -5.762 186 H GLN 27 H GLN 27 -1.008 2.988 -3.908 187 HA GLN 27 HA GLN 27 0.164 5.274 -5.342 188 HB2 GLN 27 HB2 GLN 27 -0.444 5.165 -2.643 189 HB3 GLN 27 HB3 GLN 27 1.245 4.692 -2.676 190 HG2 GLN 27 HG2 GLN 27 0.188 7.198 -3.948 191 HG3 GLN 27 HG3 GLN 27 0.826 7.116 -2.310 192 HE21 GLN 27 HE21 GLN 27 3.040 6.694 -2.013 193 HE22 GLN 27 HE22 GLN 27 4.183 6.951 -3.281 194 H LEU 28 H LEU 28 2.449 5.066 -5.749 195 HA LEU 28 HA LEU 28 3.307 2.283 -5.827 196 HB2 LEU 28 HB2 LEU 28 4.657 2.806 -7.610 197 HB3 LEU 28 HB3 LEU 28 3.291 3.854 -7.872 198 HG LEU 28 HG LEU 28 5.807 4.822 -6.530 199 HD11 LEU 28 HD11 LEU 28 6.497 5.676 -8.713 200 HD12 LEU 28 HD12 LEU 28 5.135 4.848 -9.465 201 HD13 LEU 28 HD13 LEU 28 6.419 3.915 -8.697 202 HD21 LEU 28 HD21 LEU 28 3.852 6.239 -6.248 203 HD22 LEU 28 HD22 LEU 28 3.576 6.234 -7.990 204 HD23 LEU 28 HD23 LEU 28 5.017 7.006 -7.329 205 H GLY 29 H GLY 29 5.057 1.547 -4.769 206 HA2 GLY 29 HA2 GLY 29 7.097 3.221 -3.704 207 HA3 GLY 29 HA3 GLY 29 5.953 2.750 -2.453 208 H LEU 30 H LEU 30 8.037 1.775 -1.645 209 HA LEU 30 HA LEU 30 8.464 -0.871 -2.841 210 HB2 LEU 30 HB2 LEU 30 10.221 0.959 -1.279 211 HB3 LEU 30 HB3 LEU 30 10.498 -0.762 -1.166 212 HG LEU 30 HG LEU 30 11.987 0.209 -2.798 213 HD11 LEU 30 HD11 LEU 30 9.826 -1.393 -4.150 214 HD12 LEU 30 HD12 LEU 30 11.178 -2.046 -3.224 215 HD13 LEU 30 HD13 LEU 30 11.477 -1.174 -4.728 216 HD21 LEU 30 HD21 LEU 30 11.230 1.339 -4.773 217 HD22 LEU 30 HD22 LEU 30 10.576 2.156 -3.349 218 HD23 LEU 30 HD23 LEU 30 9.545 1.097 -4.312 219 H CYS 31 H CYS 31 6.890 -2.070 -1.918 220 HA CYS 31 HA CYS 31 6.944 -2.348 1.005 221 HB2 CYS 31 HB2 CYS 31 4.993 -3.472 -1.021 222 HB3 CYS 31 HB3 CYS 31 4.893 -3.689 0.721 223 HA PRO 32 HA PRO 32 9.104 -6.126 -0.046 224 HB2 PRO 32 HB2 PRO 32 10.301 -6.522 2.282 225 HB3 PRO 32 HB3 PRO 32 10.688 -5.076 1.339 226 HG2 PRO 32 HG2 PRO 32 9.008 -5.354 3.788 227 HG3 PRO 32 HG3 PRO 32 10.037 -3.998 3.281 228 HD2 PRO 32 HD2 PRO 32 7.210 -4.277 2.917 229 HD3 PRO 32 HD3 PRO 32 8.252 -2.981 2.295 230 H LEU 33 H LEU 33 7.384 -7.559 -0.356 231 HA LEU 33 HA LEU 33 7.058 -9.612 1.541 232 HB2 LEU 33 HB2 LEU 33 4.803 -7.633 1.295 233 HB3 LEU 33 HB3 LEU 33 4.489 -9.310 1.680 234 HG LEU 33 HG LEU 33 6.174 -7.423 3.324 235 HD11 LEU 33 HD11 LEU 33 3.421 -8.523 3.819 236 HD12 LEU 33 HD12 LEU 33 3.835 -6.847 3.457 237 HD13 LEU 33 HD13 LEU 33 4.374 -7.583 4.967 238 HD21 LEU 33 HD21 LEU 33 7.019 -9.629 3.568 239 HD22 LEU 33 HD22 LEU 33 5.394 -10.294 3.744 240 HD23 LEU 33 HD23 LEU 33 6.065 -9.254 5.003 241 H LYS 34 H LYS 34 4.151 -9.010 -0.109 242 HA LYS 34 HA LYS 34 5.009 -10.686 -2.370 243 HB2 LYS 34 HB2 LYS 34 2.312 -10.648 -1.005 244 HB3 LYS 34 HB3 LYS 34 2.764 -11.661 -2.367 245 HG2 LYS 34 HG2 LYS 34 4.451 -12.764 -0.946 246 HG3 LYS 34 HG3 LYS 34 3.889 -11.795 0.418 247 HD2 LYS 34 HD2 LYS 34 1.659 -12.767 0.200 248 HD3 LYS 34 HD3 LYS 34 2.201 -13.719 -1.182 249 HE2 LYS 34 HE2 LYS 34 2.171 -15.089 0.812 250 HE3 LYS 34 HE3 LYS 34 3.828 -14.857 0.258 251 HZ1 LYS 34 HZ1 LYS 34 2.514 -13.416 2.494 252 HZ2 LYS 34 HZ2 LYS 34 4.082 -13.120 1.939 253 HZ3 LYS 34 HZ3 LYS 34 3.700 -14.612 2.633 254 H ARG 35 H ARG 35 1.933 -10.186 -2.975 255 HA ARG 35 HA ARG 35 2.341 -8.069 -4.851 256 HB2 ARG 35 HB2 ARG 35 -0.037 -9.718 -4.073 257 HB3 ARG 35 HB3 ARG 35 -0.174 -8.375 -5.192 258 HG2 ARG 35 HG2 ARG 35 1.680 -9.521 -6.512 259 HG3 ARG 35 HG3 ARG 35 1.327 -10.934 -5.511 260 HD2 ARG 35 HD2 ARG 35 0.088 -10.975 -7.636 261 HD3 ARG 35 HD3 ARG 35 -0.985 -10.905 -6.237 262 HE ARG 35 HE ARG 35 -0.481 -8.277 -7.115 263 HH11 ARG 35 HH11 ARG 35 -2.199 -11.179 -8.088 264 HH12 ARG 35 HH12 ARG 35 -3.344 -10.322 -9.069 265 HH21 ARG 35 HH21 ARG 35 -1.980 -7.156 -8.413 266 HH22 ARG 35 HH22 ARG 35 -3.215 -8.030 -9.262 267 H TRP 36 H TRP 36 2.747 -7.177 -2.211 268 HA TRP 36 HA TRP 36 0.360 -6.016 -1.180 269 HB2 TRP 36 HB2 TRP 36 3.262 -5.881 -0.438 270 HB3 TRP 36 HB3 TRP 36 2.079 -4.832 0.343 271 HD1 TRP 36 HD1 TRP 36 2.159 -8.652 -0.461 272 HE1 TRP 36 HE1 TRP 36 1.338 -9.894 1.637 273 HE3 TRP 36 HE3 TRP 36 1.343 -4.631 2.574 274 HZ2 TRP 36 HZ2 TRP 36 0.461 -9.231 4.256 275 HZ3 TRP 36 HZ3 TRP 36 0.518 -5.019 4.828 276 HH2 TRP 36 HH2 TRP 36 0.088 -7.261 5.665 277 H THR 37 H THR 37 -0.571 -4.293 -1.809 278 HA THR 37 HA THR 37 0.688 -2.479 -3.682 279 HB THR 37 HB THR 37 -2.125 -2.733 -2.594 280 HG1 THR 37 HG1 THR 37 -0.776 -3.864 -4.641 281 HG21 THR 37 HG21 THR 37 -1.676 -0.373 -3.095 282 HG22 THR 37 HG22 THR 37 -2.826 -1.070 -4.235 283 HG23 THR 37 HG23 THR 37 -1.147 -0.820 -4.718 284 H CYS 38 H CYS 38 1.043 -0.222 -3.232 285 HA CYS 38 HA CYS 38 1.193 0.405 -0.394 286 HB2 CYS 38 HB2 CYS 38 1.939 2.158 -2.743 287 HB3 CYS 38 HB3 CYS 38 2.465 2.328 -1.071 288 H CYS 39 H CYS 39 -0.792 0.876 0.410 289 HA CYS 39 HA CYS 39 -2.690 2.258 -1.300 290 HB2 CYS 39 HB2 CYS 39 -3.189 0.271 0.328 291 HB3 CYS 39 HB3 CYS 39 -3.268 1.550 1.534 292 H LYS 40 H LYS 40 -2.734 4.358 -1.333 293 HA LYS 40 HA LYS 40 -1.796 5.902 0.907 294 HB2 LYS 40 HB2 LYS 40 -1.448 6.707 -1.407 295 HB3 LYS 40 HB3 LYS 40 -3.191 6.868 -1.586 296 HG2 LYS 40 HG2 LYS 40 -3.308 8.618 -0.045 297 HG3 LYS 40 HG3 LYS 40 -1.707 8.264 0.608 298 HD2 LYS 40 HD2 LYS 40 -0.690 8.955 -1.484 299 HD3 LYS 40 HD3 LYS 40 -2.284 9.291 -2.163 300 HE2 LYS 40 HE2 LYS 40 -1.025 10.666 0.208 301 HE3 LYS 40 HE3 LYS 40 -1.208 11.344 -1.407 302 HZ1 LYS 40 HZ1 LYS 40 -3.602 11.238 -1.152 303 HZ2 LYS 40 HZ2 LYS 40 -2.920 12.136 0.105 304 HZ3 LYS 40 HZ3 LYS 40 -3.447 10.552 0.391 305 H GLU 41 H GLU 41 -3.028 5.402 2.559 306 HA GLU 41 HA GLU 41 -4.646 5.693 4.072 307 HB2 GLU 41 HB2 GLU 41 -5.953 7.410 1.961 308 HB3 GLU 41 HB3 GLU 41 -6.438 7.300 3.645 309 HG2 GLU 41 HG2 GLU 41 -4.625 8.472 4.403 310 HG3 GLU 41 HG3 GLU 41 -3.632 8.026 3.018 311 H ILE 42 H ILE 42 -6.693 4.917 4.682 312 HA ILE 42 HA ILE 42 -8.020 3.193 2.714 313 HB ILE 42 HB ILE 42 -8.249 1.511 4.642 314 HG12 ILE 42 HG12 ILE 42 -5.915 3.178 5.606 315 HG13 ILE 42 HG13 ILE 42 -7.434 2.905 6.447 316 HG21 ILE 42 HG21 ILE 42 -6.986 1.054 2.637 317 HG22 ILE 42 HG22 ILE 42 -6.119 0.437 4.044 318 HG23 ILE 42 HG23 ILE 42 -5.600 1.938 3.277 319 HD11 ILE 42 HD11 ILE 42 -5.265 0.892 5.921 320 HD12 ILE 42 HD12 ILE 42 -6.827 0.515 6.651 321 HD13 ILE 42 HD13 ILE 42 -5.709 1.607 7.469 Start of MODEL 6 1 H1 ASP 1 H1 ASP 1 20.863 3.891 1.501 2 H2 ASP 1 H2 ASP 1 21.721 5.348 1.554 3 H3 ASP 1 H3 ASP 1 20.626 5.058 0.296 4 HA ASP 1 HA ASP 1 19.744 6.595 1.967 5 HB2 ASP 1 HB2 ASP 1 18.398 4.804 0.575 6 HB3 ASP 1 HB3 ASP 1 18.168 4.042 2.154 7 H THR 2 H THR 2 21.735 4.445 3.299 8 HA THR 2 HA THR 2 22.304 3.817 5.424 9 HB THR 2 HB THR 2 19.924 5.382 6.446 10 HG1 THR 2 HG1 THR 2 20.918 7.099 5.706 11 HG21 THR 2 HG21 THR 2 22.605 4.711 7.683 12 HG22 THR 2 HG22 THR 2 21.054 3.986 8.108 13 HG23 THR 2 HG23 THR 2 21.348 5.693 8.437 14 H THR 3 H THR 3 20.067 2.743 3.676 15 HA THR 3 HA THR 3 19.106 0.575 5.150 16 HB THR 3 HB THR 3 17.706 2.204 6.280 17 HG1 THR 3 HG1 THR 3 16.270 0.675 6.225 18 HG21 THR 3 HG21 THR 3 17.653 3.992 4.697 19 HG22 THR 3 HG22 THR 3 15.992 3.485 5.031 20 HG23 THR 3 HG23 THR 3 16.781 2.986 3.535 21 H SER 4 H SER 4 17.020 -0.280 3.705 22 HA SER 4 HA SER 4 18.019 -0.792 1.155 23 HB2 SER 4 HB2 SER 4 15.121 -0.743 2.036 24 HB3 SER 4 HB3 SER 4 15.754 -1.571 0.613 25 HG SER 4 HG SER 4 17.213 -2.540 2.426 26 H ASP 5 H ASP 5 18.664 0.866 0.016 27 HA ASP 5 HA ASP 5 17.547 3.422 -0.008 28 HB2 ASP 5 HB2 ASP 5 19.924 2.881 -0.498 29 HB3 ASP 5 HB3 ASP 5 19.422 2.213 -2.045 30 H PHE 6 H PHE 6 15.467 3.531 -0.587 31 HA PHE 6 HA PHE 6 14.938 4.018 -3.278 32 HB2 PHE 6 HB2 PHE 6 13.242 2.186 -3.646 33 HB3 PHE 6 HB3 PHE 6 14.934 1.702 -3.658 34 HD1 PHE 6 HD1 PHE 6 14.905 -0.514 -3.094 35 HD2 PHE 6 HD2 PHE 6 12.700 2.237 -0.714 36 HE1 PHE 6 HE1 PHE 6 14.458 -2.294 -1.462 37 HE2 PHE 6 HE2 PHE 6 12.250 0.458 0.926 38 HZ PHE 6 HZ PHE 6 13.135 -1.809 0.553 39 H HIS 7 H HIS 7 12.369 4.129 -3.561 40 HA HIS 7 HA HIS 7 11.537 5.772 -1.301 41 HB2 HIS 7 HB2 HIS 7 10.340 5.487 -4.060 42 HB3 HIS 7 HB3 HIS 7 9.731 6.560 -2.811 43 HD1 HIS 7 HD1 HIS 7 11.660 6.783 -5.718 44 HD2 HIS 7 HD2 HIS 7 12.125 8.239 -1.852 45 HE1 HIS 7 HE1 HIS 7 13.289 8.689 -5.908 46 HE2 HIS 7 HE2 HIS 7 13.422 9.660 -3.586 47 H THR 8 H THR 8 10.544 4.759 0.250 48 HA THR 8 HA THR 8 9.292 2.244 -0.097 49 HB THR 8 HB THR 8 8.534 2.723 2.339 50 HG1 THR 8 HG1 THR 8 9.639 4.418 3.331 51 HG21 THR 8 HG21 THR 8 10.775 2.201 3.187 52 HG22 THR 8 HG22 THR 8 11.467 2.636 1.625 53 HG23 THR 8 HG23 THR 8 10.390 1.246 1.756 54 H CYS 9 H CYS 9 7.047 2.209 1.399 55 HA CYS 9 HA CYS 9 5.172 3.464 -0.444 56 HB2 CYS 9 HB2 CYS 9 4.828 1.362 1.710 57 HB3 CYS 9 HB3 CYS 9 3.515 1.967 0.699 58 H GLN 10 H GLN 10 5.209 2.879 3.059 59 HA GLN 10 HA GLN 10 3.542 5.164 3.540 60 HB2 GLN 10 HB2 GLN 10 4.067 4.578 5.976 61 HB3 GLN 10 HB3 GLN 10 3.194 3.377 5.037 62 HG2 GLN 10 HG2 GLN 10 5.372 2.247 4.622 63 HG3 GLN 10 HG3 GLN 10 6.104 3.357 5.776 64 HE21 GLN 10 HE21 GLN 10 4.068 0.626 5.326 65 HE22 GLN 10 HE22 GLN 10 3.911 0.199 6.989 66 H ASP 11 H ASP 11 4.357 7.060 3.279 67 HA ASP 11 HA ASP 11 6.308 8.408 4.584 68 HB2 ASP 11 HB2 ASP 11 7.931 6.690 3.697 69 HB3 ASP 11 HB3 ASP 11 7.536 7.219 2.063 70 H LYS 12 H LYS 12 5.181 7.616 1.361 71 HA LYS 12 HA LYS 12 5.015 10.491 0.724 72 HB2 LYS 12 HB2 LYS 12 5.248 8.282 -1.303 73 HB3 LYS 12 HB3 LYS 12 5.579 9.995 -1.522 74 HG2 LYS 12 HG2 LYS 12 7.451 9.657 0.185 75 HG3 LYS 12 HG3 LYS 12 7.213 7.930 -0.092 76 HD2 LYS 12 HD2 LYS 12 7.776 8.126 -2.379 77 HD3 LYS 12 HD3 LYS 12 7.760 9.896 -2.295 78 HE2 LYS 12 HE2 LYS 12 9.704 7.993 -1.013 79 HE3 LYS 12 HE3 LYS 12 10.038 9.226 -2.227 80 HZ1 LYS 12 HZ1 LYS 12 10.756 10.035 -0.118 81 HZ2 LYS 12 HZ2 LYS 12 9.276 9.667 0.615 82 HZ3 LYS 12 HZ3 LYS 12 9.371 10.906 -0.540 83 H GLY 13 H GLY 13 3.412 7.403 0.654 84 HA2 GLY 13 HA2 GLY 13 1.001 8.726 -0.398 85 HA3 GLY 13 HA3 GLY 13 1.450 7.103 -0.876 86 H GLY 14 H GLY 14 1.682 5.555 0.926 87 HA2 GLY 14 HA2 GLY 14 0.293 5.980 3.350 88 HA3 GLY 14 HA3 GLY 14 -0.749 5.197 2.174 89 H HIS 15 H HIS 15 -0.764 3.461 3.762 90 HA HIS 15 HA HIS 15 1.734 2.125 4.357 91 HB2 HIS 15 HB2 HIS 15 0.480 0.890 5.969 92 HB3 HIS 15 HB3 HIS 15 -0.155 2.524 6.034 93 HD1 HIS 15 HD1 HIS 15 -1.419 -0.637 6.373 94 HD2 HIS 15 HD2 HIS 15 -2.453 2.514 3.856 95 HE1 HIS 15 HE1 HIS 15 -3.804 -1.053 5.705 96 HE2 HIS 15 HE2 HIS 15 -4.440 0.927 4.298 97 H CYS 16 H CYS 16 1.881 -0.217 4.152 98 HA CYS 16 HA CYS 16 1.222 -1.039 1.480 99 HB2 CYS 16 HB2 CYS 16 2.599 -2.526 3.727 100 HB3 CYS 16 HB3 CYS 16 2.549 -3.029 2.038 101 H VAL 17 H VAL 17 -0.377 -2.370 0.862 102 HA VAL 17 HA VAL 17 -1.933 -3.669 2.998 103 HB VAL 17 HB VAL 17 -3.949 -3.415 1.638 104 HG11 VAL 17 HG11 VAL 17 -3.494 -1.737 3.306 105 HG12 VAL 17 HG12 VAL 17 -4.243 -0.985 1.898 106 HG13 VAL 17 HG13 VAL 17 -2.507 -0.822 2.166 107 HG21 VAL 17 HG21 VAL 17 -3.967 -1.925 -0.322 108 HG22 VAL 17 HG22 VAL 17 -2.973 -3.357 -0.585 109 HG23 VAL 17 HG23 VAL 17 -2.211 -1.806 -0.232 110 H SER 18 H SER 18 -2.490 -5.691 2.794 111 HA SER 18 HA SER 18 -1.120 -7.343 0.944 112 HB2 SER 18 HB2 SER 18 -2.239 -9.169 2.083 113 HB3 SER 18 HB3 SER 18 -1.649 -8.021 3.269 114 HG SER 18 HG SER 18 -3.607 -7.857 3.956 115 HA PRO 19 HA PRO 19 -3.707 -7.501 -2.547 116 HB2 PRO 19 HB2 PRO 19 -3.899 -10.213 -3.012 117 HB3 PRO 19 HB3 PRO 19 -2.537 -9.191 -3.476 118 HG2 PRO 19 HG2 PRO 19 -2.863 -10.927 -1.058 119 HG3 PRO 19 HG3 PRO 19 -1.451 -10.730 -2.114 120 HD2 PRO 19 HD2 PRO 19 -1.543 -9.505 0.237 121 HD3 PRO 19 HD3 PRO 19 -0.893 -8.663 -1.186 122 H LYS 20 H LYS 20 -5.163 -7.875 0.190 123 HA LYS 20 HA LYS 20 -7.732 -8.408 -1.039 124 HB2 LYS 20 HB2 LYS 20 -6.876 -10.628 -0.146 125 HB3 LYS 20 HB3 LYS 20 -6.977 -9.926 1.463 126 HG2 LYS 20 HG2 LYS 20 -9.392 -9.531 1.093 127 HG3 LYS 20 HG3 LYS 20 -9.254 -10.363 -0.458 128 HD2 LYS 20 HD2 LYS 20 -8.492 -12.382 0.717 129 HD3 LYS 20 HD3 LYS 20 -8.677 -11.543 2.259 130 HE2 LYS 20 HE2 LYS 20 -10.878 -12.105 0.276 131 HE3 LYS 20 HE3 LYS 20 -10.599 -12.980 1.779 132 HZ1 LYS 20 HZ1 LYS 20 -11.226 -10.078 1.603 133 HZ2 LYS 20 HZ2 LYS 20 -11.062 -10.987 3.021 134 HZ3 LYS 20 HZ3 LYS 20 -12.348 -11.288 1.967 135 H ILE 21 H ILE 21 -6.635 -6.031 -0.188 136 HA ILE 21 HA ILE 21 -8.180 -5.418 2.256 137 HB ILE 21 HB ILE 21 -5.653 -4.074 1.282 138 HG12 ILE 21 HG12 ILE 21 -5.273 -6.327 2.225 139 HG13 ILE 21 HG13 ILE 21 -4.555 -5.059 3.208 140 HG21 ILE 21 HG21 ILE 21 -5.696 -2.842 3.397 141 HG22 ILE 21 HG22 ILE 21 -7.243 -3.588 3.796 142 HG23 ILE 21 HG23 ILE 21 -7.121 -2.498 2.415 143 HD11 ILE 21 HD11 ILE 21 -7.127 -6.512 3.777 144 HD12 ILE 21 HD12 ILE 21 -6.451 -5.212 4.757 145 HD13 ILE 21 HD13 ILE 21 -5.585 -6.741 4.600 146 H ARG 22 H ARG 22 -9.303 -3.434 2.302 147 HA ARG 22 HA ARG 22 -10.260 -2.389 -0.162 148 HB2 ARG 22 HB2 ARG 22 -11.664 -2.308 1.804 149 HB3 ARG 22 HB3 ARG 22 -10.457 -1.381 2.682 150 HG2 ARG 22 HG2 ARG 22 -10.771 0.425 0.941 151 HG3 ARG 22 HG3 ARG 22 -12.185 -0.480 0.400 152 HD2 ARG 22 HD2 ARG 22 -12.919 1.209 1.925 153 HD3 ARG 22 HD3 ARG 22 -13.074 -0.352 2.719 154 HE ARG 22 HE ARG 22 -10.944 1.616 3.265 155 HH11 ARG 22 HH11 ARG 22 -12.963 -1.066 4.279 156 HH12 ARG 22 HH12 ARG 22 -12.444 -0.991 5.929 157 HH21 ARG 22 HH21 ARG 22 -10.283 1.737 5.419 158 HH22 ARG 22 HH22 ARG 22 -10.906 0.604 6.584 159 H CYS 23 H CYS 23 -8.841 -1.314 -1.472 160 HA CYS 23 HA CYS 23 -7.075 0.659 -0.228 161 HB2 CYS 23 HB2 CYS 23 -6.324 -1.076 -2.032 162 HB3 CYS 23 HB3 CYS 23 -7.090 0.041 -3.160 163 H LEU 24 H LEU 24 -7.419 2.786 -0.399 164 HA LEU 24 HA LEU 24 -9.773 3.695 -1.828 165 HB2 LEU 24 HB2 LEU 24 -8.071 4.740 0.314 166 HB3 LEU 24 HB3 LEU 24 -8.591 5.955 -0.838 167 HG LEU 24 HG LEU 24 -10.940 5.327 -0.431 168 HD11 LEU 24 HD11 LEU 24 -9.809 3.518 1.697 169 HD12 LEU 24 HD12 LEU 24 -10.590 2.993 0.207 170 HD13 LEU 24 HD13 LEU 24 -11.515 3.868 1.427 171 HD21 LEU 24 HD21 LEU 24 -9.930 7.146 0.821 172 HD22 LEU 24 HD22 LEU 24 -9.373 6.008 2.049 173 HD23 LEU 24 HD23 LEU 24 -11.099 6.275 1.813 174 H GLU 25 H GLU 25 -6.344 4.686 -1.716 175 HA GLU 25 HA GLU 25 -6.539 5.085 -4.620 176 HB2 GLU 25 HB2 GLU 25 -6.663 7.286 -3.506 177 HB3 GLU 25 HB3 GLU 25 -5.139 6.951 -2.697 178 HG2 GLU 25 HG2 GLU 25 -4.023 6.826 -4.877 179 HG3 GLU 25 HG3 GLU 25 -5.552 7.205 -5.667 180 H GLU 26 H GLU 26 -5.075 3.919 -5.644 181 HA GLU 26 HA GLU 26 -3.068 2.501 -4.208 182 HB2 GLU 26 HB2 GLU 26 -3.534 2.796 -7.175 183 HB3 GLU 26 HB3 GLU 26 -2.333 1.731 -6.460 184 HG2 GLU 26 HG2 GLU 26 -4.109 0.513 -5.302 185 HG3 GLU 26 HG3 GLU 26 -5.308 1.567 -6.043 186 H GLN 27 H GLN 27 -0.931 2.776 -4.130 187 HA GLN 27 HA GLN 27 0.210 5.225 -5.270 188 HB2 GLN 27 HB2 GLN 27 0.067 6.058 -3.178 189 HB3 GLN 27 HB3 GLN 27 -0.194 4.483 -2.456 190 HG2 GLN 27 HG2 GLN 27 1.769 5.153 -1.488 191 HG3 GLN 27 HG3 GLN 27 2.345 4.176 -2.831 192 HE21 GLN 27 HE21 GLN 27 3.716 6.241 -1.391 193 HE22 GLN 27 HE22 GLN 27 4.154 7.438 -2.558 194 H LEU 28 H LEU 28 2.482 5.162 -5.544 195 HA LEU 28 HA LEU 28 3.482 2.458 -5.979 196 HB2 LEU 28 HB2 LEU 28 4.879 3.326 -7.640 197 HB3 LEU 28 HB3 LEU 28 3.352 4.134 -7.870 198 HG LEU 28 HG LEU 28 5.687 5.395 -6.429 199 HD11 LEU 28 HD11 LEU 28 4.880 5.675 -9.318 200 HD12 LEU 28 HD12 LEU 28 6.322 4.854 -8.720 201 HD13 LEU 28 HD13 LEU 28 6.142 6.595 -8.498 202 HD21 LEU 28 HD21 LEU 28 3.160 6.543 -7.619 203 HD22 LEU 28 HD22 LEU 28 4.494 7.490 -6.959 204 HD23 LEU 28 HD23 LEU 28 3.563 6.430 -5.905 205 H GLY 29 H GLY 29 5.035 1.665 -4.739 206 HA2 GLY 29 HA2 GLY 29 7.218 3.192 -3.786 207 HA3 GLY 29 HA3 GLY 29 6.073 2.915 -2.479 208 H LEU 30 H LEU 30 8.021 1.752 -1.624 209 HA LEU 30 HA LEU 30 8.329 -0.908 -2.820 210 HB2 LEU 30 HB2 LEU 30 10.159 0.850 -1.267 211 HB3 LEU 30 HB3 LEU 30 10.380 -0.880 -1.152 212 HG LEU 30 HG LEU 30 11.879 0.033 -2.807 213 HD11 LEU 30 HD11 LEU 30 11.309 -1.331 -4.720 214 HD12 LEU 30 HD12 LEU 30 9.642 -1.455 -4.165 215 HD13 LEU 30 HD13 LEU 30 10.940 -2.191 -3.226 216 HD21 LEU 30 HD21 LEU 30 11.147 1.219 -4.750 217 HD22 LEU 30 HD22 LEU 30 10.508 2.033 -3.314 218 HD23 LEU 30 HD23 LEU 30 9.454 1.011 -4.294 219 H CYS 31 H CYS 31 6.712 -2.067 -1.905 220 HA CYS 31 HA CYS 31 6.797 -2.384 1.016 221 HB2 CYS 31 HB2 CYS 31 4.795 -3.489 -0.966 222 HB3 CYS 31 HB3 CYS 31 4.704 -3.623 0.784 223 HA PRO 32 HA PRO 32 9.004 -6.079 -0.180 224 HB2 PRO 32 HB2 PRO 32 10.245 -6.550 2.114 225 HB3 PRO 32 HB3 PRO 32 10.605 -5.071 1.214 226 HG2 PRO 32 HG2 PRO 32 8.922 -5.450 3.653 227 HG3 PRO 32 HG3 PRO 32 9.996 -4.098 3.232 228 HD2 PRO 32 HD2 PRO 32 7.191 -4.220 2.869 229 HD3 PRO 32 HD3 PRO 32 8.282 -2.991 2.205 230 H LEU 33 H LEU 33 7.314 -7.532 -0.525 231 HA LEU 33 HA LEU 33 7.148 -9.657 1.336 232 HB2 LEU 33 HB2 LEU 33 4.775 -7.836 1.095 233 HB3 LEU 33 HB3 LEU 33 4.542 -9.546 1.386 234 HG LEU 33 HG LEU 33 6.069 -7.642 3.162 235 HD11 LEU 33 HD11 LEU 33 3.674 -7.299 3.285 236 HD12 LEU 33 HD12 LEU 33 4.284 -8.038 4.765 237 HD13 LEU 33 HD13 LEU 33 3.429 -9.021 3.576 238 HD21 LEU 33 HD21 LEU 33 6.034 -9.613 4.725 239 HD22 LEU 33 HD22 LEU 33 7.123 -9.728 3.344 240 HD23 LEU 33 HD23 LEU 33 5.582 -10.596 3.329 241 H LYS 34 H LYS 34 4.287 -9.129 -0.521 242 HA LYS 34 HA LYS 34 5.344 -10.954 -2.570 243 HB2 LYS 34 HB2 LYS 34 2.530 -10.804 -1.460 244 HB3 LYS 34 HB3 LYS 34 3.035 -11.839 -2.794 245 HG2 LYS 34 HG2 LYS 34 4.679 -12.900 -1.223 246 HG3 LYS 34 HG3 LYS 34 3.909 -11.995 0.078 247 HD2 LYS 34 HD2 LYS 34 2.782 -13.995 0.205 248 HD3 LYS 34 HD3 LYS 34 1.722 -13.079 -0.862 249 HE2 LYS 34 HE2 LYS 34 3.844 -15.008 -1.797 250 HE3 LYS 34 HE3 LYS 34 2.141 -15.413 -1.611 251 HZ1 LYS 34 HZ1 LYS 34 3.329 -13.474 -3.514 252 HZ2 LYS 34 HZ2 LYS 34 1.669 -13.610 -3.241 253 HZ3 LYS 34 HZ3 LYS 34 2.529 -14.918 -3.879 254 H ARG 35 H ARG 35 2.187 -9.562 -2.649 255 HA ARG 35 HA ARG 35 2.946 -7.919 -4.936 256 HB2 ARG 35 HB2 ARG 35 0.712 -8.376 -5.871 257 HB3 ARG 35 HB3 ARG 35 1.705 -9.817 -5.710 258 HG2 ARG 35 HG2 ARG 35 0.512 -10.515 -3.779 259 HG3 ARG 35 HG3 ARG 35 -0.389 -8.999 -3.731 260 HD2 ARG 35 HD2 ARG 35 -0.460 -10.897 -6.052 261 HD3 ARG 35 HD3 ARG 35 -1.618 -10.958 -4.723 262 HE ARG 35 HE ARG 35 -1.420 -8.353 -5.918 263 HH11 ARG 35 HH11 ARG 35 -2.911 -11.512 -6.206 264 HH12 ARG 35 HH12 ARG 35 -4.277 -10.928 -7.100 265 HH21 ARG 35 HH21 ARG 35 -3.207 -7.582 -7.107 266 HH22 ARG 35 HH22 ARG 35 -4.448 -8.686 -7.608 267 H TRP 36 H TRP 36 2.987 -7.034 -2.315 268 HA TRP 36 HA TRP 36 0.459 -6.049 -1.456 269 HB2 TRP 36 HB2 TRP 36 3.284 -5.796 -0.488 270 HB3 TRP 36 HB3 TRP 36 2.025 -4.772 0.197 271 HD1 TRP 36 HD1 TRP 36 2.106 -8.594 -0.587 272 HE1 TRP 36 HE1 TRP 36 1.280 -9.833 1.489 273 HE3 TRP 36 HE3 TRP 36 1.362 -4.579 2.466 274 HZ2 TRP 36 HZ2 TRP 36 0.420 -9.178 4.117 275 HZ3 TRP 36 HZ3 TRP 36 0.534 -4.971 4.721 276 HH2 TRP 36 HH2 TRP 36 0.075 -7.215 5.538 277 H THR 37 H THR 37 -0.489 -4.245 -1.897 278 HA THR 37 HA THR 37 0.760 -2.379 -3.727 279 HB THR 37 HB THR 37 -2.062 -2.720 -2.704 280 HG1 THR 37 HG1 THR 37 -0.683 -3.300 -5.102 281 HG21 THR 37 HG21 THR 37 -1.080 -0.686 -4.714 282 HG22 THR 37 HG22 THR 37 -1.667 -0.328 -3.089 283 HG23 THR 37 HG23 THR 37 -2.766 -1.001 -4.294 284 H CYS 38 H CYS 38 1.222 -0.218 -3.233 285 HA CYS 38 HA CYS 38 1.250 0.468 -0.422 286 HB2 CYS 38 HB2 CYS 38 1.934 2.227 -2.785 287 HB3 CYS 38 HB3 CYS 38 2.447 2.433 -1.113 288 H CYS 39 H CYS 39 -0.622 1.150 0.478 289 HA CYS 39 HA CYS 39 -2.608 2.286 -1.343 290 HB2 CYS 39 HB2 CYS 39 -3.018 0.337 0.368 291 HB3 CYS 39 HB3 CYS 39 -3.214 1.671 1.499 292 H LYS 40 H LYS 40 -2.709 4.356 -1.476 293 HA LYS 40 HA LYS 40 -1.747 6.113 0.576 294 HB2 LYS 40 HB2 LYS 40 -1.669 6.621 -1.884 295 HB3 LYS 40 HB3 LYS 40 -3.416 6.785 -1.859 296 HG2 LYS 40 HG2 LYS 40 -1.728 8.439 -0.032 297 HG3 LYS 40 HG3 LYS 40 -1.907 8.889 -1.727 298 HD2 LYS 40 HD2 LYS 40 -4.368 8.892 -1.417 299 HD3 LYS 40 HD3 LYS 40 -4.122 8.550 0.297 300 HE2 LYS 40 HE2 LYS 40 -2.839 10.634 0.507 301 HE3 LYS 40 HE3 LYS 40 -3.141 10.979 -1.195 302 HZ1 LYS 40 HZ1 LYS 40 -4.674 12.170 0.223 303 HZ2 LYS 40 HZ2 LYS 40 -5.209 10.723 0.924 304 HZ3 LYS 40 HZ3 LYS 40 -5.512 11.037 -0.715 305 H GLU 41 H GLU 41 -2.874 5.565 2.347 306 HA GLU 41 HA GLU 41 -4.445 5.649 3.933 307 HB2 GLU 41 HB2 GLU 41 -5.915 7.455 2.018 308 HB3 GLU 41 HB3 GLU 41 -6.307 7.215 3.713 309 HG2 GLU 41 HG2 GLU 41 -4.067 8.079 4.310 310 HG3 GLU 41 HG3 GLU 41 -3.791 8.430 2.605 311 H ILE 42 H ILE 42 -6.667 5.014 4.495 312 HA ILE 42 HA ILE 42 -7.935 3.278 2.514 313 HB ILE 42 HB ILE 42 -8.185 1.525 4.356 314 HG12 ILE 42 HG12 ILE 42 -5.847 3.102 5.469 315 HG13 ILE 42 HG13 ILE 42 -7.421 2.904 6.228 316 HG21 ILE 42 HG21 ILE 42 -5.462 1.996 3.149 317 HG22 ILE 42 HG22 ILE 42 -6.823 1.187 2.373 318 HG23 ILE 42 HG23 ILE 42 -6.057 0.463 3.787 319 HD11 ILE 42 HD11 ILE 42 -5.331 0.790 5.780 320 HD12 ILE 42 HD12 ILE 42 -6.955 0.471 6.397 321 HD13 ILE 42 HD13 ILE 42 -5.844 1.487 7.316 Start of MODEL 7 1 H1 ASP 1 H1 ASP 1 16.231 -6.046 -7.456 2 H2 ASP 1 H2 ASP 1 14.594 -6.052 -7.040 3 H3 ASP 1 H3 ASP 1 15.717 -6.834 -6.052 4 HA ASP 1 HA ASP 1 15.542 -3.923 -6.551 5 HB2 ASP 1 HB2 ASP 1 15.033 -5.511 -4.021 6 HB3 ASP 1 HB3 ASP 1 14.932 -3.761 -4.184 7 H THR 2 H THR 2 17.444 -6.613 -5.588 8 HA THR 2 HA THR 2 19.645 -6.815 -5.121 9 HB THR 2 HB THR 2 19.860 -3.812 -5.320 10 HG1 THR 2 HG1 THR 2 20.867 -5.004 -7.460 11 HG21 THR 2 HG21 THR 2 22.230 -4.265 -5.781 12 HG22 THR 2 HG22 THR 2 21.947 -5.988 -5.543 13 HG23 THR 2 HG23 THR 2 21.760 -4.870 -4.193 14 H THR 3 H THR 3 18.446 -3.910 -3.535 15 HA THR 3 HA THR 3 18.519 -5.108 -0.952 16 HB THR 3 HB THR 3 20.945 -4.574 -1.276 17 HG1 THR 3 HG1 THR 3 20.777 -4.405 0.817 18 HG21 THR 3 HG21 THR 3 21.632 -2.200 -1.202 19 HG22 THR 3 HG22 THR 3 19.942 -1.728 -1.385 20 HG23 THR 3 HG23 THR 3 20.757 -2.608 -2.678 21 H SER 4 H SER 4 18.099 -3.233 0.741 22 HA SER 4 HA SER 4 15.823 -1.845 -0.325 23 HB2 SER 4 HB2 SER 4 15.576 -1.125 2.124 24 HB3 SER 4 HB3 SER 4 15.419 -2.843 1.766 25 HG SER 4 HG SER 4 17.904 -1.702 2.499 26 H ASP 5 H ASP 5 16.534 -0.241 -1.603 27 HA ASP 5 HA ASP 5 17.141 2.215 -0.232 28 HB2 ASP 5 HB2 ASP 5 19.419 1.437 -0.664 29 HB3 ASP 5 HB3 ASP 5 19.021 1.126 -2.350 30 H PHE 6 H PHE 6 15.237 3.037 -0.946 31 HA PHE 6 HA PHE 6 14.839 3.845 -3.615 32 HB2 PHE 6 HB2 PHE 6 12.756 2.257 -3.877 33 HB3 PHE 6 HB3 PHE 6 14.358 1.680 -4.323 34 HD1 PHE 6 HD1 PHE 6 12.215 1.844 -1.254 35 HD2 PHE 6 HD2 PHE 6 14.909 -0.429 -3.643 36 HE1 PHE 6 HE1 PHE 6 11.978 -0.057 0.290 37 HE2 PHE 6 HE2 PHE 6 14.673 -2.332 -2.103 38 HZ PHE 6 HZ PHE 6 13.207 -2.148 -0.132 39 H HIS 7 H HIS 7 12.173 4.101 -3.812 40 HA HIS 7 HA HIS 7 11.462 5.668 -1.462 41 HB2 HIS 7 HB2 HIS 7 9.985 5.354 -4.085 42 HB3 HIS 7 HB3 HIS 7 9.554 6.461 -2.797 43 HD1 HIS 7 HD1 HIS 7 11.186 6.506 -5.926 44 HD2 HIS 7 HD2 HIS 7 11.949 8.227 -2.216 45 HE1 HIS 7 HE1 HIS 7 12.753 8.421 -6.383 46 HE2 HIS 7 HE2 HIS 7 13.142 9.499 -4.140 47 H THR 8 H THR 8 10.674 4.515 0.141 48 HA THR 8 HA THR 8 9.292 2.069 -0.240 49 HB THR 8 HB THR 8 8.733 2.493 2.289 50 HG1 THR 8 HG1 THR 8 9.900 4.066 3.241 51 HG21 THR 8 HG21 THR 8 10.349 0.852 1.376 52 HG22 THR 8 HG22 THR 8 10.889 1.571 2.894 53 HG23 THR 8 HG23 THR 8 11.583 2.113 1.367 54 H CYS 9 H CYS 9 7.194 2.052 1.440 55 HA CYS 9 HA CYS 9 5.253 3.448 -0.208 56 HB2 CYS 9 HB2 CYS 9 4.886 1.088 0.107 57 HB3 CYS 9 HB3 CYS 9 5.007 1.252 1.861 58 H GLN 10 H GLN 10 5.332 2.678 3.248 59 HA GLN 10 HA GLN 10 3.808 5.007 3.899 60 HB2 GLN 10 HB2 GLN 10 4.590 4.256 6.301 61 HB3 GLN 10 HB3 GLN 10 3.397 3.313 5.416 62 HG2 GLN 10 HG2 GLN 10 5.279 1.893 4.599 63 HG3 GLN 10 HG3 GLN 10 6.320 2.733 5.743 64 HE21 GLN 10 HE21 GLN 10 5.614 -0.065 5.595 65 HE22 GLN 10 HE22 GLN 10 4.870 -0.465 7.100 66 H ASP 11 H ASP 11 4.695 6.866 3.631 67 HA ASP 11 HA ASP 11 6.794 8.073 4.870 68 HB2 ASP 11 HB2 ASP 11 8.244 6.306 3.756 69 HB3 ASP 11 HB3 ASP 11 7.779 6.987 2.197 70 H LYS 12 H LYS 12 5.354 7.485 1.711 71 HA LYS 12 HA LYS 12 5.300 10.402 1.247 72 HB2 LYS 12 HB2 LYS 12 5.335 8.349 -0.944 73 HB3 LYS 12 HB3 LYS 12 5.771 10.053 -1.028 74 HG2 LYS 12 HG2 LYS 12 7.715 9.518 0.465 75 HG3 LYS 12 HG3 LYS 12 7.316 7.813 0.242 76 HD2 LYS 12 HD2 LYS 12 7.700 7.938 -2.089 77 HD3 LYS 12 HD3 LYS 12 7.878 9.700 -2.022 78 HE2 LYS 12 HE2 LYS 12 9.682 7.637 -0.780 79 HE3 LYS 12 HE3 LYS 12 10.059 8.705 -2.129 80 HZ1 LYS 12 HZ1 LYS 12 11.041 9.552 -0.126 81 HZ2 LYS 12 HZ2 LYS 12 9.555 9.526 0.683 82 HZ3 LYS 12 HZ3 LYS 12 9.802 10.598 -0.608 83 H GLY 13 H GLY 13 3.557 7.376 0.964 84 HA2 GLY 13 HA2 GLY 13 1.215 8.903 0.023 85 HA3 GLY 13 HA3 GLY 13 1.623 7.334 -0.637 86 H GLY 14 H GLY 14 1.521 5.525 0.740 87 HA2 GLY 14 HA2 GLY 14 -0.409 5.827 2.946 88 HA3 GLY 14 HA3 GLY 14 -0.693 4.691 1.638 89 H HIS 15 H HIS 15 -0.799 3.326 3.620 90 HA HIS 15 HA HIS 15 1.832 2.352 4.432 91 HB2 HIS 15 HB2 HIS 15 0.678 1.165 6.164 92 HB3 HIS 15 HB3 HIS 15 0.009 2.784 6.132 93 HD1 HIS 15 HD1 HIS 15 -1.153 -0.377 6.750 94 HD2 HIS 15 HD2 HIS 15 -2.367 2.575 4.074 95 HE1 HIS 15 HE1 HIS 15 -3.541 -0.917 6.192 96 HE2 HIS 15 HE2 HIS 15 -4.205 0.787 4.464 97 H CYS 16 H CYS 16 2.067 -0.073 4.452 98 HA CYS 16 HA CYS 16 1.519 -1.004 1.794 99 HB2 CYS 16 HB2 CYS 16 2.892 -2.310 4.147 100 HB3 CYS 16 HB3 CYS 16 2.799 -3.012 2.536 101 H VAL 17 H VAL 17 -0.133 -2.208 1.156 102 HA VAL 17 HA VAL 17 -1.730 -3.537 3.242 103 HB VAL 17 HB VAL 17 -3.726 -3.197 1.957 104 HG11 VAL 17 HG11 VAL 17 -3.917 -0.759 2.018 105 HG12 VAL 17 HG12 VAL 17 -2.165 -0.634 2.175 106 HG13 VAL 17 HG13 VAL 17 -3.112 -1.400 3.449 107 HG21 VAL 17 HG21 VAL 17 -2.010 -1.829 -0.114 108 HG22 VAL 17 HG22 VAL 17 -3.772 -1.920 -0.134 109 HG23 VAL 17 HG23 VAL 17 -2.811 -3.391 -0.294 110 H SER 18 H SER 18 -2.448 -5.522 2.927 111 HA SER 18 HA SER 18 -0.987 -7.146 1.088 112 HB2 SER 18 HB2 SER 18 -2.206 -8.981 2.234 113 HB3 SER 18 HB3 SER 18 -1.361 -7.920 3.340 114 HG SER 18 HG SER 18 -3.956 -8.522 3.294 115 HA PRO 19 HA PRO 19 -3.589 -7.251 -2.364 116 HB2 PRO 19 HB2 PRO 19 -3.592 -9.907 -3.039 117 HB3 PRO 19 HB3 PRO 19 -2.256 -8.791 -3.347 118 HG2 PRO 19 HG2 PRO 19 -2.630 -10.714 -1.081 119 HG3 PRO 19 HG3 PRO 19 -1.180 -10.405 -2.054 120 HD2 PRO 19 HD2 PRO 19 -1.432 -9.333 0.366 121 HD3 PRO 19 HD3 PRO 19 -0.738 -8.391 -0.973 122 H LYS 20 H LYS 20 -5.101 -7.667 0.218 123 HA LYS 20 HA LYS 20 -7.557 -8.448 -1.146 124 HB2 LYS 20 HB2 LYS 20 -6.724 -10.476 0.071 125 HB3 LYS 20 HB3 LYS 20 -6.843 -9.572 1.571 126 HG2 LYS 20 HG2 LYS 20 -8.745 -11.056 1.272 127 HG3 LYS 20 HG3 LYS 20 -9.247 -9.367 1.288 128 HD2 LYS 20 HD2 LYS 20 -10.450 -10.513 -0.447 129 HD3 LYS 20 HD3 LYS 20 -9.293 -9.416 -1.198 130 HE2 LYS 20 HE2 LYS 20 -7.757 -11.301 -1.551 131 HE3 LYS 20 HE3 LYS 20 -8.940 -12.388 -0.823 132 HZ1 LYS 20 HZ1 LYS 20 -10.495 -11.760 -2.602 133 HZ2 LYS 20 HZ2 LYS 20 -9.096 -12.494 -3.202 134 HZ3 LYS 20 HZ3 LYS 20 -9.286 -10.820 -3.320 135 H ILE 21 H ILE 21 -5.942 -6.166 0.333 136 HA ILE 21 HA ILE 21 -7.999 -5.216 2.170 137 HB ILE 21 HB ILE 21 -5.379 -3.933 1.379 138 HG12 ILE 21 HG12 ILE 21 -5.017 -6.073 2.513 139 HG13 ILE 21 HG13 ILE 21 -4.537 -4.731 3.546 140 HG21 ILE 21 HG21 ILE 21 -5.684 -2.548 3.377 141 HG22 ILE 21 HG22 ILE 21 -7.256 -3.298 3.653 142 HG23 ILE 21 HG23 ILE 21 -6.990 -2.312 2.216 143 HD11 ILE 21 HD11 ILE 21 -6.650 -4.943 4.768 144 HD12 ILE 21 HD12 ILE 21 -5.687 -6.418 4.827 145 HD13 ILE 21 HD13 ILE 21 -7.083 -6.320 3.755 146 H ARG 22 H ARG 22 -9.308 -3.483 1.802 147 HA ARG 22 HA ARG 22 -9.903 -2.744 -0.857 148 HB2 ARG 22 HB2 ARG 22 -11.592 -2.751 0.919 149 HB3 ARG 22 HB3 ARG 22 -10.736 -1.460 1.752 150 HG2 ARG 22 HG2 ARG 22 -11.088 -0.043 -0.272 151 HG3 ARG 22 HG3 ARG 22 -12.132 -1.316 -0.904 152 HD2 ARG 22 HD2 ARG 22 -13.541 0.289 0.129 153 HD3 ARG 22 HD3 ARG 22 -13.482 -1.111 1.196 154 HE ARG 22 HE ARG 22 -11.500 0.668 2.025 155 HH11 ARG 22 HH11 ARG 22 -14.989 0.532 1.814 156 HH12 ARG 22 HH12 ARG 22 -15.239 1.604 3.156 157 HH21 ARG 22 HH21 ARG 22 -11.809 2.095 3.767 158 HH22 ARG 22 HH22 ARG 22 -13.429 2.494 4.272 159 H CYS 23 H CYS 23 -8.746 -1.426 -2.081 160 HA CYS 23 HA CYS 23 -6.992 0.550 -0.897 161 HB2 CYS 23 HB2 CYS 23 -6.623 -0.998 -3.019 162 HB3 CYS 23 HB3 CYS 23 -7.427 0.337 -3.842 163 H LEU 24 H LEU 24 -7.329 2.721 -0.877 164 HA LEU 24 HA LEU 24 -9.814 3.721 -2.067 165 HB2 LEU 24 HB2 LEU 24 -8.318 4.349 0.325 166 HB3 LEU 24 HB3 LEU 24 -8.581 5.790 -0.636 167 HG LEU 24 HG LEU 24 -10.333 5.502 1.046 168 HD11 LEU 24 HD11 LEU 24 -10.873 6.620 -1.057 169 HD12 LEU 24 HD12 LEU 24 -12.261 5.740 -0.420 170 HD13 LEU 24 HD13 LEU 24 -11.337 5.074 -1.764 171 HD21 LEU 24 HD21 LEU 24 -10.301 3.076 1.217 172 HD22 LEU 24 HD22 LEU 24 -10.958 2.940 -0.414 173 HD23 LEU 24 HD23 LEU 24 -11.929 3.659 0.871 174 H GLU 25 H GLU 25 -6.374 4.587 -1.789 175 HA GLU 25 HA GLU 25 -6.514 5.605 -4.539 176 HB2 GLU 25 HB2 GLU 25 -6.574 7.545 -3.084 177 HB3 GLU 25 HB3 GLU 25 -5.205 6.946 -2.166 178 HG2 GLU 25 HG2 GLU 25 -4.440 8.693 -3.579 179 HG3 GLU 25 HG3 GLU 25 -3.816 7.173 -4.217 180 H GLU 26 H GLU 26 -5.363 4.008 -5.550 181 HA GLU 26 HA GLU 26 -3.200 2.622 -4.375 182 HB2 GLU 26 HB2 GLU 26 -3.957 2.964 -7.269 183 HB3 GLU 26 HB3 GLU 26 -2.659 1.925 -6.709 184 HG2 GLU 26 HG2 GLU 26 -4.185 0.533 -5.526 185 HG3 GLU 26 HG3 GLU 26 -5.523 1.631 -5.851 186 H GLN 27 H GLN 27 -1.184 3.146 -4.104 187 HA GLN 27 HA GLN 27 -0.088 5.461 -5.539 188 HB2 GLN 27 HB2 GLN 27 -0.335 6.502 -3.551 189 HB3 GLN 27 HB3 GLN 27 -0.533 4.997 -2.671 190 HG2 GLN 27 HG2 GLN 27 1.387 5.793 -1.759 191 HG3 GLN 27 HG3 GLN 27 2.033 4.789 -3.051 192 HE21 GLN 27 HE21 GLN 27 3.416 6.859 -1.844 193 HE22 GLN 27 HE22 GLN 27 3.720 8.064 -3.039 194 H LEU 28 H LEU 28 2.255 5.488 -5.664 195 HA LEU 28 HA LEU 28 3.297 2.803 -5.915 196 HB2 LEU 28 HB2 LEU 28 4.896 3.629 -7.392 197 HB3 LEU 28 HB3 LEU 28 3.428 4.461 -7.800 198 HG LEU 28 HG LEU 28 5.106 6.051 -8.045 199 HD11 LEU 28 HD11 LEU 28 3.260 6.987 -6.840 200 HD12 LEU 28 HD12 LEU 28 4.773 7.734 -6.330 201 HD13 LEU 28 HD13 LEU 28 3.996 6.527 -5.306 202 HD21 LEU 28 HD21 LEU 28 6.947 4.905 -7.054 203 HD22 LEU 28 HD22 LEU 28 6.274 5.130 -5.440 204 HD23 LEU 28 HD23 LEU 28 6.842 6.525 -6.361 205 H GLY 29 H GLY 29 4.559 1.921 -4.507 206 HA2 GLY 29 HA2 GLY 29 6.683 3.275 -3.216 207 HA3 GLY 29 HA3 GLY 29 5.352 3.028 -2.093 208 H LEU 30 H LEU 30 8.005 1.816 -2.017 209 HA LEU 30 HA LEU 30 7.583 -0.885 -2.946 210 HB2 LEU 30 HB2 LEU 30 9.894 0.622 -1.870 211 HB3 LEU 30 HB3 LEU 30 9.922 -1.124 -1.736 212 HG LEU 30 HG LEU 30 9.215 -0.899 -4.318 213 HD11 LEU 30 HD11 LEU 30 10.848 1.548 -3.719 214 HD12 LEU 30 HD12 LEU 30 9.217 1.483 -4.383 215 HD13 LEU 30 HD13 LEU 30 10.581 0.891 -5.334 216 HD21 LEU 30 HD21 LEU 30 11.578 -1.266 -4.872 217 HD22 LEU 30 HD22 LEU 30 11.049 -2.235 -3.496 218 HD23 LEU 30 HD23 LEU 30 12.022 -0.788 -3.232 219 H CYS 31 H CYS 31 6.596 -2.338 -1.865 220 HA CYS 31 HA CYS 31 6.890 -2.442 1.066 221 HB2 CYS 31 HB2 CYS 31 4.672 -3.590 -0.643 222 HB3 CYS 31 HB3 CYS 31 4.772 -3.659 1.113 223 HA PRO 32 HA PRO 32 8.943 -6.194 -0.173 224 HB2 PRO 32 HB2 PRO 32 10.244 -6.689 2.077 225 HB3 PRO 32 HB3 PRO 32 10.605 -5.216 1.168 226 HG2 PRO 32 HG2 PRO 32 8.950 -5.569 3.637 227 HG3 PRO 32 HG3 PRO 32 10.088 -4.265 3.230 228 HD2 PRO 32 HD2 PRO 32 7.298 -4.183 2.911 229 HD3 PRO 32 HD3 PRO 32 8.458 -3.071 2.165 230 H LEU 33 H LEU 33 7.232 -7.620 -0.466 231 HA LEU 33 HA LEU 33 7.108 -9.779 1.325 232 HB2 LEU 33 HB2 LEU 33 4.788 -7.878 1.388 233 HB3 LEU 33 HB3 LEU 33 4.503 -9.595 1.573 234 HG LEU 33 HG LEU 33 6.167 -7.839 3.374 235 HD11 LEU 33 HD11 LEU 33 4.518 -8.422 5.068 236 HD12 LEU 33 HD12 LEU 33 3.596 -9.322 3.863 237 HD13 LEU 33 HD13 LEU 33 3.786 -7.575 3.707 238 HD21 LEU 33 HD21 LEU 33 5.775 -10.810 3.335 239 HD22 LEU 33 HD22 LEU 33 6.294 -9.928 4.772 240 HD23 LEU 33 HD23 LEU 33 7.288 -9.897 3.315 241 H LYS 34 H LYS 34 4.139 -9.019 -0.263 242 HA LYS 34 HA LYS 34 4.929 -10.639 -2.581 243 HB2 LYS 34 HB2 LYS 34 2.319 -10.781 -1.061 244 HB3 LYS 34 HB3 LYS 34 2.701 -11.690 -2.519 245 HG2 LYS 34 HG2 LYS 34 4.580 -12.753 -1.268 246 HG3 LYS 34 HG3 LYS 34 3.992 -11.953 0.186 247 HD2 LYS 34 HD2 LYS 34 3.170 -14.228 0.118 248 HD3 LYS 34 HD3 LYS 34 1.828 -13.104 -0.083 249 HE2 LYS 34 HE2 LYS 34 1.679 -15.028 -1.609 250 HE3 LYS 34 HE3 LYS 34 1.811 -13.499 -2.472 251 HZ1 LYS 34 HZ1 LYS 34 4.151 -13.936 -2.832 252 HZ2 LYS 34 HZ2 LYS 34 3.218 -15.201 -3.445 253 HZ3 LYS 34 HZ3 LYS 34 4.043 -15.394 -1.983 254 H ARG 35 H ARG 35 1.714 -10.070 -2.757 255 HA ARG 35 HA ARG 35 1.990 -8.065 -4.786 256 HB2 ARG 35 HB2 ARG 35 -0.340 -9.592 -3.661 257 HB3 ARG 35 HB3 ARG 35 -0.553 -8.329 -4.859 258 HG2 ARG 35 HG2 ARG 35 1.096 -10.818 -5.190 259 HG3 ARG 35 HG3 ARG 35 -0.508 -10.542 -5.874 260 HD2 ARG 35 HD2 ARG 35 2.051 -9.093 -6.531 261 HD3 ARG 35 HD3 ARG 35 1.104 -10.133 -7.591 262 HE ARG 35 HE ARG 35 -0.455 -7.942 -6.688 263 HH11 ARG 35 HH11 ARG 35 2.102 -8.768 -8.930 264 HH12 ARG 35 HH12 ARG 35 1.742 -7.460 -10.012 265 HH21 ARG 35 HH21 ARG 35 -0.917 -6.215 -8.080 266 HH22 ARG 35 HH22 ARG 35 0.040 -5.987 -9.511 267 H TRP 36 H TRP 36 2.680 -7.151 -2.158 268 HA TRP 36 HA TRP 36 0.449 -5.762 -1.047 269 HB2 TRP 36 HB2 TRP 36 3.388 -5.825 -0.423 270 HB3 TRP 36 HB3 TRP 36 2.292 -4.715 0.400 271 HD1 TRP 36 HD1 TRP 36 2.211 -8.551 -0.353 272 HE1 TRP 36 HE1 TRP 36 1.437 -9.747 1.785 273 HE3 TRP 36 HE3 TRP 36 1.537 -4.480 2.654 274 HZ2 TRP 36 HZ2 TRP 36 0.633 -9.047 4.404 275 HZ3 TRP 36 HZ3 TRP 36 0.748 -4.835 4.932 276 HH2 TRP 36 HH2 TRP 36 0.311 -7.061 5.800 277 H THR 37 H THR 37 -0.325 -3.926 -1.624 278 HA THR 37 HA THR 37 1.092 -2.257 -3.569 279 HB THR 37 HB THR 37 -1.788 -2.693 -2.836 280 HG1 THR 37 HG1 THR 37 -1.243 -3.957 -4.495 281 HG21 THR 37 HG21 THR 37 -0.758 -0.340 -4.428 282 HG22 THR 37 HG22 THR 37 -1.646 -0.280 -2.900 283 HG23 THR 37 HG23 THR 37 -2.443 -0.857 -4.366 284 H CYS 38 H CYS 38 1.253 0.072 -3.265 285 HA CYS 38 HA CYS 38 1.216 0.836 -0.461 286 HB2 CYS 38 HB2 CYS 38 3.079 1.537 -2.048 287 HB3 CYS 38 HB3 CYS 38 1.911 2.609 -2.816 288 H CYS 39 H CYS 39 -0.968 0.861 0.009 289 HA CYS 39 HA CYS 39 -2.724 2.390 -1.688 290 HB2 CYS 39 HB2 CYS 39 -3.033 0.583 0.624 291 HB3 CYS 39 HB3 CYS 39 -4.314 1.749 0.328 292 H LYS 40 H LYS 40 -2.647 4.452 -1.575 293 HA LYS 40 HA LYS 40 -1.955 5.929 0.772 294 HB2 LYS 40 HB2 LYS 40 -1.680 6.670 -1.657 295 HB3 LYS 40 HB3 LYS 40 -3.407 6.963 -1.671 296 HG2 LYS 40 HG2 LYS 40 -1.682 8.262 0.391 297 HG3 LYS 40 HG3 LYS 40 -1.765 8.912 -1.244 298 HD2 LYS 40 HD2 LYS 40 -4.250 9.014 -0.995 299 HD3 LYS 40 HD3 LYS 40 -4.045 8.554 0.696 300 HE2 LYS 40 HE2 LYS 40 -2.670 10.539 1.071 301 HE3 LYS 40 HE3 LYS 40 -2.854 10.991 -0.622 302 HZ1 LYS 40 HZ1 LYS 40 -5.050 10.779 1.367 303 HZ2 LYS 40 HZ2 LYS 40 -5.233 11.207 -0.261 304 HZ3 LYS 40 HZ3 LYS 40 -4.372 12.220 0.783 305 H GLU 41 H GLU 41 -3.265 5.164 2.337 306 HA GLU 41 HA GLU 41 -4.986 5.126 3.763 307 HB2 GLU 41 HB2 GLU 41 -6.291 7.014 1.811 308 HB3 GLU 41 HB3 GLU 41 -6.964 6.548 3.363 309 HG2 GLU 41 HG2 GLU 41 -5.131 7.543 4.536 310 HG3 GLU 41 HG3 GLU 41 -4.302 7.887 3.019 311 H ILE 42 H ILE 42 -7.040 4.149 4.096 312 HA ILE 42 HA ILE 42 -8.040 2.540 1.871 313 HB ILE 42 HB ILE 42 -7.992 0.491 3.166 314 HG12 ILE 42 HG12 ILE 42 -8.133 1.555 5.428 315 HG13 ILE 42 HG13 ILE 42 -6.947 0.268 5.320 316 HG21 ILE 42 HG21 ILE 42 -6.104 0.900 1.741 317 HG22 ILE 42 HG22 ILE 42 -5.576 0.064 3.201 318 HG23 ILE 42 HG23 ILE 42 -5.287 1.795 3.022 319 HD11 ILE 42 HD11 ILE 42 -6.378 3.220 5.320 320 HD12 ILE 42 HD12 ILE 42 -5.165 1.953 5.164 321 HD13 ILE 42 HD13 ILE 42 -6.106 2.095 6.647 Start of MODEL 8 1 H1 ASP 1 H1 ASP 1 18.792 -3.390 -5.435 2 H2 ASP 1 H2 ASP 1 18.350 -4.877 -4.758 3 H3 ASP 1 H3 ASP 1 19.974 -4.547 -5.088 4 HA ASP 1 HA ASP 1 20.002 -2.804 -3.457 5 HB2 ASP 1 HB2 ASP 1 18.046 -2.598 -1.908 6 HB3 ASP 1 HB3 ASP 1 17.724 -2.048 -3.547 7 H THR 2 H THR 2 21.386 -3.632 -2.101 8 HA THR 2 HA THR 2 21.201 -6.294 -1.061 9 HB THR 2 HB THR 2 23.019 -4.106 -0.052 10 HG1 THR 2 HG1 THR 2 24.343 -4.457 -1.767 11 HG21 THR 2 HG21 THR 2 23.352 -7.105 -0.258 12 HG22 THR 2 HG22 THR 2 23.022 -6.199 1.218 13 HG23 THR 2 HG23 THR 2 24.554 -5.977 0.373 14 H THR 3 H THR 3 20.333 -3.129 -0.095 15 HA THR 3 HA THR 3 19.006 -4.149 2.291 16 HB THR 3 HB THR 3 21.169 -3.310 3.104 17 HG1 THR 3 HG1 THR 3 19.605 -1.229 3.991 18 HG21 THR 3 HG21 THR 3 21.694 -1.719 1.347 19 HG22 THR 3 HG22 THR 3 21.731 -0.921 2.921 20 HG23 THR 3 HG23 THR 3 20.349 -0.691 1.848 21 H SER 4 H SER 4 17.232 -2.805 2.937 22 HA SER 4 HA SER 4 15.975 -1.602 0.684 23 HB2 SER 4 HB2 SER 4 15.077 -1.754 3.567 24 HB3 SER 4 HB3 SER 4 14.064 -1.281 2.202 25 HG SER 4 HG SER 4 13.926 -3.542 2.882 26 H ASP 5 H ASP 5 17.022 0.224 0.082 27 HA ASP 5 HA ASP 5 16.390 2.559 1.717 28 HB2 ASP 5 HB2 ASP 5 18.769 2.074 2.176 29 HB3 ASP 5 HB3 ASP 5 19.106 2.124 0.447 30 H PHE 6 H PHE 6 14.900 3.402 0.423 31 HA PHE 6 HA PHE 6 15.396 4.402 -2.153 32 HB2 PHE 6 HB2 PHE 6 13.661 2.735 -3.247 33 HB3 PHE 6 HB3 PHE 6 15.366 2.325 -3.179 34 HD1 PHE 6 HD1 PHE 6 15.540 0.053 -2.988 35 HD2 PHE 6 HD2 PHE 6 12.659 2.088 -0.606 36 HE1 PHE 6 HE1 PHE 6 15.010 -2.053 -1.837 37 HE2 PHE 6 HE2 PHE 6 12.126 -0.018 0.548 38 HZ PHE 6 HZ PHE 6 13.304 -2.091 -0.067 39 H HIS 7 H HIS 7 12.871 4.451 -3.247 40 HA HIS 7 HA HIS 7 11.465 6.059 -1.309 41 HB2 HIS 7 HB2 HIS 7 10.785 5.355 -4.169 42 HB3 HIS 7 HB3 HIS 7 9.860 6.468 -3.174 43 HD1 HIS 7 HD1 HIS 7 12.577 6.363 -5.548 44 HD2 HIS 7 HD2 HIS 7 11.515 8.787 -2.337 45 HE1 HIS 7 HE1 HIS 7 13.898 8.484 -5.834 46 HE2 HIS 7 HE2 HIS 7 13.129 9.989 -3.967 47 H THR 8 H THR 8 10.546 4.875 0.226 48 HA THR 8 HA THR 8 9.372 2.324 -0.291 49 HB THR 8 HB THR 8 8.625 2.696 2.207 50 HG1 THR 8 HG1 THR 8 10.851 4.346 2.404 51 HG21 THR 8 HG21 THR 8 10.337 1.106 1.475 52 HG22 THR 8 HG22 THR 8 10.835 1.932 2.951 53 HG23 THR 8 HG23 THR 8 11.522 2.410 1.399 54 H CYS 9 H CYS 9 7.136 2.192 1.264 55 HA CYS 9 HA CYS 9 5.243 3.531 -0.493 56 HB2 CYS 9 HB2 CYS 9 4.891 1.385 1.615 57 HB3 CYS 9 HB3 CYS 9 3.587 2.020 0.619 58 H GLN 10 H GLN 10 5.256 2.833 3.005 59 HA GLN 10 HA GLN 10 3.723 5.203 3.532 60 HB2 GLN 10 HB2 GLN 10 4.233 4.535 5.964 61 HB3 GLN 10 HB3 GLN 10 3.247 3.440 5.011 62 HG2 GLN 10 HG2 GLN 10 5.482 2.239 4.517 63 HG3 GLN 10 HG3 GLN 10 6.077 3.127 5.916 64 HE21 GLN 10 HE21 GLN 10 5.730 0.265 5.542 65 HE22 GLN 10 HE22 GLN 10 4.655 -0.262 6.788 66 H ASP 11 H ASP 11 4.661 7.063 3.279 67 HA ASP 11 HA ASP 11 6.751 8.269 4.475 68 HB2 ASP 11 HB2 ASP 11 8.220 6.400 3.686 69 HB3 ASP 11 HB3 ASP 11 7.816 6.819 2.024 70 H LYS 12 H LYS 12 5.773 7.474 1.150 71 HA LYS 12 HA LYS 12 5.650 10.355 0.540 72 HB2 LYS 12 HB2 LYS 12 5.289 8.138 -1.449 73 HB3 LYS 12 HB3 LYS 12 5.755 9.797 -1.752 74 HG2 LYS 12 HG2 LYS 12 7.944 9.379 -0.773 75 HG3 LYS 12 HG3 LYS 12 7.478 7.711 -0.426 76 HD2 LYS 12 HD2 LYS 12 7.486 8.905 -3.194 77 HD3 LYS 12 HD3 LYS 12 8.838 8.006 -2.512 78 HE2 LYS 12 HE2 LYS 12 7.647 6.002 -2.479 79 HE3 LYS 12 HE3 LYS 12 6.090 6.809 -2.604 80 HZ1 LYS 12 HZ1 LYS 12 6.686 7.460 -4.879 81 HZ2 LYS 12 HZ2 LYS 12 6.636 5.781 -4.685 82 HZ3 LYS 12 HZ3 LYS 12 8.123 6.582 -4.752 83 H GLY 13 H GLY 13 3.763 7.418 0.677 84 HA2 GLY 13 HA2 GLY 13 1.368 8.963 -0.068 85 HA3 GLY 13 HA3 GLY 13 1.645 7.345 -0.677 86 H GLY 14 H GLY 14 1.589 5.610 0.756 87 HA2 GLY 14 HA2 GLY 14 0.435 6.024 3.374 88 HA3 GLY 14 HA3 GLY 14 -0.622 5.269 2.189 89 H HIS 15 H HIS 15 -0.598 3.468 3.743 90 HA HIS 15 HA HIS 15 1.977 2.189 4.216 91 HB2 HIS 15 HB2 HIS 15 0.870 0.962 5.931 92 HB3 HIS 15 HB3 HIS 15 0.261 2.604 6.039 93 HD1 HIS 15 HD1 HIS 15 -0.997 -0.535 6.550 94 HD2 HIS 15 HD2 HIS 15 -2.245 2.549 4.046 95 HE1 HIS 15 HE1 HIS 15 -3.408 -1.010 6.028 96 HE2 HIS 15 HE2 HIS 15 -4.136 0.851 4.509 97 H CYS 16 H CYS 16 2.078 -0.201 4.101 98 HA CYS 16 HA CYS 16 1.284 -1.035 1.466 99 HB2 CYS 16 HB2 CYS 16 2.758 -2.513 3.656 100 HB3 CYS 16 HB3 CYS 16 2.577 -3.068 1.993 101 H VAL 17 H VAL 17 -0.332 -2.382 0.931 102 HA VAL 17 HA VAL 17 -1.818 -3.637 3.138 103 HB VAL 17 HB VAL 17 -3.892 -3.359 1.859 104 HG11 VAL 17 HG11 VAL 17 -3.349 -1.709 3.538 105 HG12 VAL 17 HG12 VAL 17 -4.170 -0.939 2.180 106 HG13 VAL 17 HG13 VAL 17 -2.424 -0.775 2.364 107 HG21 VAL 17 HG21 VAL 17 -2.217 -1.727 -0.049 108 HG22 VAL 17 HG22 VAL 17 -3.977 -1.846 -0.079 109 HG23 VAL 17 HG23 VAL 17 -2.990 -3.273 -0.397 110 H SER 18 H SER 18 -2.475 -5.642 2.901 111 HA SER 18 HA SER 18 -1.083 -7.304 1.094 112 HB2 SER 18 HB2 SER 18 -2.302 -9.099 2.197 113 HB3 SER 18 HB3 SER 18 -1.712 -7.960 3.385 114 HG SER 18 HG SER 18 -4.186 -8.768 3.065 115 HA PRO 19 HA PRO 19 -3.462 -7.317 -2.524 116 HB2 PRO 19 HB2 PRO 19 -3.521 -9.960 -3.224 117 HB3 PRO 19 HB3 PRO 19 -2.111 -8.912 -3.405 118 HG2 PRO 19 HG2 PRO 19 -2.778 -10.811 -1.182 119 HG3 PRO 19 HG3 PRO 19 -1.245 -10.607 -2.052 120 HD2 PRO 19 HD2 PRO 19 -1.569 -9.502 0.334 121 HD3 PRO 19 HD3 PRO 19 -0.754 -8.605 -0.966 122 H LYS 20 H LYS 20 -5.132 -7.749 -0.004 123 HA LYS 20 HA LYS 20 -7.530 -8.528 -1.473 124 HB2 LYS 20 HB2 LYS 20 -6.578 -10.514 -0.128 125 HB3 LYS 20 HB3 LYS 20 -7.086 -9.622 1.300 126 HG2 LYS 20 HG2 LYS 20 -9.391 -9.630 0.488 127 HG3 LYS 20 HG3 LYS 20 -8.882 -10.529 -0.944 128 HD2 LYS 20 HD2 LYS 20 -8.066 -12.337 0.559 129 HD3 LYS 20 HD3 LYS 20 -8.742 -11.449 1.923 130 HE2 LYS 20 HE2 LYS 20 -10.275 -12.535 -0.436 131 HE3 LYS 20 HE3 LYS 20 -10.261 -13.204 1.194 132 HZ1 LYS 20 HZ1 LYS 20 -11.223 -11.091 1.980 133 HZ2 LYS 20 HZ2 LYS 20 -12.228 -11.898 0.886 134 HZ3 LYS 20 HZ3 LYS 20 -11.334 -10.559 0.377 135 H ILE 21 H ILE 21 -6.063 -6.183 -0.026 136 HA ILE 21 HA ILE 21 -8.190 -5.350 1.803 137 HB ILE 21 HB ILE 21 -5.557 -3.997 1.185 138 HG12 ILE 21 HG12 ILE 21 -5.198 -6.148 2.278 139 HG13 ILE 21 HG13 ILE 21 -4.838 -4.832 3.388 140 HG21 ILE 21 HG21 ILE 21 -5.995 -2.668 3.187 141 HG22 ILE 21 HG22 ILE 21 -7.558 -3.461 3.374 142 HG23 ILE 21 HG23 ILE 21 -7.252 -2.434 1.973 143 HD11 ILE 21 HD11 ILE 21 -7.012 -5.156 4.460 144 HD12 ILE 21 HD12 ILE 21 -6.019 -6.612 4.514 145 HD13 ILE 21 HD13 ILE 21 -7.346 -6.493 3.360 146 H ARG 22 H ARG 22 -9.620 -3.799 1.328 147 HA ARG 22 HA ARG 22 -9.905 -2.839 -1.323 148 HB2 ARG 22 HB2 ARG 22 -11.810 -3.277 0.157 149 HB3 ARG 22 HB3 ARG 22 -11.265 -2.023 1.254 150 HG2 ARG 22 HG2 ARG 22 -11.824 -1.298 -1.563 151 HG3 ARG 22 HG3 ARG 22 -13.181 -1.596 -0.477 152 HD2 ARG 22 HD2 ARG 22 -10.957 0.405 -0.082 153 HD3 ARG 22 HD3 ARG 22 -12.630 0.765 -0.501 154 HE ARG 22 HE ARG 22 -11.891 -0.515 2.052 155 HH11 ARG 22 HH11 ARG 22 -13.639 1.930 0.248 156 HH12 ARG 22 HH12 ARG 22 -14.419 2.582 1.652 157 HH21 ARG 22 HH21 ARG 22 -12.915 0.347 3.894 158 HH22 ARG 22 HH22 ARG 22 -14.002 1.687 3.725 159 H CYS 23 H CYS 23 -8.754 -1.255 -2.210 160 HA CYS 23 HA CYS 23 -7.435 0.687 -0.446 161 HB2 CYS 23 HB2 CYS 23 -6.120 -0.757 -2.099 162 HB3 CYS 23 HB3 CYS 23 -6.857 0.217 -3.369 163 H LEU 24 H LEU 24 -7.713 2.873 -0.696 164 HA LEU 24 HA LEU 24 -9.967 3.682 -2.360 165 HB2 LEU 24 HB2 LEU 24 -8.551 4.935 -0.042 166 HB3 LEU 24 HB3 LEU 24 -9.504 5.934 -1.118 167 HG LEU 24 HG LEU 24 -10.812 5.327 0.827 168 HD11 LEU 24 HD11 LEU 24 -11.773 3.817 -1.593 169 HD12 LEU 24 HD12 LEU 24 -11.963 5.548 -1.323 170 HD13 LEU 24 HD13 LEU 24 -12.762 4.396 -0.254 171 HD21 LEU 24 HD21 LEU 24 -9.717 3.287 1.486 172 HD22 LEU 24 HD22 LEU 24 -10.267 2.477 0.022 173 HD23 LEU 24 HD23 LEU 24 -11.435 2.976 1.245 174 H GLU 25 H GLU 25 -6.613 4.783 -1.718 175 HA GLU 25 HA GLU 25 -6.535 5.502 -4.572 176 HB2 GLU 25 HB2 GLU 25 -6.674 7.557 -3.234 177 HB3 GLU 25 HB3 GLU 25 -5.273 7.055 -2.304 178 HG2 GLU 25 HG2 GLU 25 -3.874 7.208 -4.277 179 HG3 GLU 25 HG3 GLU 25 -5.277 7.624 -5.261 180 H GLU 26 H GLU 26 -5.275 3.983 -5.458 181 HA GLU 26 HA GLU 26 -3.279 2.588 -4.026 182 HB2 GLU 26 HB2 GLU 26 -3.853 2.771 -6.975 183 HB3 GLU 26 HB3 GLU 26 -2.574 1.766 -6.311 184 HG2 GLU 26 HG2 GLU 26 -4.274 0.592 -4.945 185 HG3 GLU 26 HG3 GLU 26 -5.522 1.529 -5.764 186 H GLN 27 H GLN 27 -1.183 2.817 -3.885 187 HA GLN 27 HA GLN 27 0.039 5.222 -5.038 188 HB2 GLN 27 HB2 GLN 27 -0.198 5.927 -2.880 189 HB3 GLN 27 HB3 GLN 27 -0.221 4.302 -2.227 190 HG2 GLN 27 HG2 GLN 27 1.695 5.332 -1.374 191 HG3 GLN 27 HG3 GLN 27 2.259 4.242 -2.630 192 HE21 GLN 27 HE21 GLN 27 3.575 6.533 -1.510 193 HE22 GLN 27 HE22 GLN 27 3.880 7.609 -2.827 194 H LEU 28 H LEU 28 2.330 5.118 -5.268 195 HA LEU 28 HA LEU 28 3.242 2.371 -5.731 196 HB2 LEU 28 HB2 LEU 28 4.827 3.586 -7.406 197 HB3 LEU 28 HB3 LEU 28 3.178 3.210 -7.855 198 HG LEU 28 HG LEU 28 2.674 5.643 -7.061 199 HD11 LEU 28 HD11 LEU 28 5.620 5.849 -7.662 200 HD12 LEU 28 HD12 LEU 28 4.870 6.083 -6.082 201 HD13 LEU 28 HD13 LEU 28 4.513 7.198 -7.402 202 HD21 LEU 28 HD21 LEU 28 2.430 4.855 -9.340 203 HD22 LEU 28 HD22 LEU 28 4.162 5.048 -9.610 204 HD23 LEU 28 HD23 LEU 28 3.154 6.463 -9.316 205 H GLY 29 H GLY 29 4.914 1.681 -4.684 206 HA2 GLY 29 HA2 GLY 29 7.154 3.259 -3.943 207 HA3 GLY 29 HA3 GLY 29 6.105 2.977 -2.559 208 H LEU 30 H LEU 30 8.109 1.831 -1.826 209 HA LEU 30 HA LEU 30 8.364 -0.826 -3.037 210 HB2 LEU 30 HB2 LEU 30 10.206 0.852 -1.401 211 HB3 LEU 30 HB3 LEU 30 10.375 -0.889 -1.341 212 HG LEU 30 HG LEU 30 11.939 0.056 -2.925 213 HD11 LEU 30 HD11 LEU 30 9.717 -1.401 -4.343 214 HD12 LEU 30 HD12 LEU 30 11.009 -2.149 -3.403 215 HD13 LEU 30 HD13 LEU 30 11.389 -1.267 -4.881 216 HD21 LEU 30 HD21 LEU 30 9.563 1.084 -4.458 217 HD22 LEU 30 HD22 LEU 30 11.268 1.275 -4.872 218 HD23 LEU 30 HD23 LEU 30 10.608 2.078 -3.443 219 H CYS 31 H CYS 31 6.778 -2.023 -2.173 220 HA CYS 31 HA CYS 31 6.754 -2.320 0.751 221 HB2 CYS 31 HB2 CYS 31 4.830 -3.392 -1.320 222 HB3 CYS 31 HB3 CYS 31 4.701 -3.647 0.412 223 HA PRO 32 HA PRO 32 8.977 -6.030 -0.325 224 HB2 PRO 32 HB2 PRO 32 10.292 -6.324 1.958 225 HB3 PRO 32 HB3 PRO 32 10.624 -4.926 0.929 226 HG2 PRO 32 HG2 PRO 32 9.063 -5.087 3.464 227 HG3 PRO 32 HG3 PRO 32 10.074 -3.763 2.852 228 HD2 PRO 32 HD2 PRO 32 7.241 -4.014 2.642 229 HD3 PRO 32 HD3 PRO 32 8.268 -2.785 1.876 230 H LEU 33 H LEU 33 7.246 -7.463 -0.498 231 HA LEU 33 HA LEU 33 7.135 -9.468 1.489 232 HB2 LEU 33 HB2 LEU 33 4.755 -7.641 1.234 233 HB3 LEU 33 HB3 LEU 33 4.556 -9.313 1.705 234 HG LEU 33 HG LEU 33 6.166 -7.246 3.206 235 HD11 LEU 33 HD11 LEU 33 3.778 -6.856 3.390 236 HD12 LEU 33 HD12 LEU 33 4.450 -7.433 4.915 237 HD13 LEU 33 HD13 LEU 33 3.534 -8.531 3.884 238 HD21 LEU 33 HD21 LEU 33 6.237 -9.002 4.966 239 HD22 LEU 33 HD22 LEU 33 7.177 -9.366 3.521 240 HD23 LEU 33 HD23 LEU 33 5.611 -10.140 3.773 241 H LYS 34 H LYS 34 4.208 -8.938 -0.227 242 HA LYS 34 HA LYS 34 5.091 -10.701 -2.397 243 HB2 LYS 34 HB2 LYS 34 2.485 -10.838 -0.869 244 HB3 LYS 34 HB3 LYS 34 2.904 -11.836 -2.258 245 HG2 LYS 34 HG2 LYS 34 4.808 -12.750 -0.964 246 HG3 LYS 34 HG3 LYS 34 4.250 -11.835 0.433 247 HD2 LYS 34 HD2 LYS 34 2.180 -13.051 0.481 248 HD3 LYS 34 HD3 LYS 34 2.579 -13.872 -1.028 249 HE2 LYS 34 HE2 LYS 34 4.135 -14.130 1.542 250 HE3 LYS 34 HE3 LYS 34 2.929 -15.284 0.977 251 HZ1 LYS 34 HZ1 LYS 34 5.148 -16.021 0.422 252 HZ2 LYS 34 HZ2 LYS 34 5.460 -14.586 -0.414 253 HZ3 LYS 34 HZ3 LYS 34 4.295 -15.664 -0.992 254 H ARG 35 H ARG 35 1.841 -10.261 -2.610 255 HA ARG 35 HA ARG 35 2.068 -8.323 -4.724 256 HB2 ARG 35 HB2 ARG 35 -0.063 -10.130 -3.711 257 HB3 ARG 35 HB3 ARG 35 -0.537 -8.732 -4.670 258 HG2 ARG 35 HG2 ARG 35 1.453 -10.805 -5.524 259 HG3 ARG 35 HG3 ARG 35 -0.249 -10.776 -6.002 260 HD2 ARG 35 HD2 ARG 35 1.916 -8.793 -6.674 261 HD3 ARG 35 HD3 ARG 35 0.932 -9.751 -7.779 262 HE ARG 35 HE ARG 35 -0.952 -8.296 -6.609 263 HH11 ARG 35 HH11 ARG 35 2.180 -7.288 -7.802 264 HH12 ARG 35 HH12 ARG 35 1.653 -5.685 -8.194 265 HH21 ARG 35 HH21 ARG 35 -1.646 -6.197 -7.120 266 HH22 ARG 35 HH22 ARG 35 -0.532 -5.062 -7.816 267 H TRP 36 H TRP 36 2.650 -7.326 -2.151 268 HA TRP 36 HA TRP 36 0.341 -6.039 -1.077 269 HB2 TRP 36 HB2 TRP 36 3.269 -6.005 -0.432 270 HB3 TRP 36 HB3 TRP 36 2.146 -4.898 0.358 271 HD1 TRP 36 HD1 TRP 36 2.093 -8.752 -0.337 272 HE1 TRP 36 HE1 TRP 36 1.298 -9.897 1.833 273 HE3 TRP 36 HE3 TRP 36 1.442 -4.612 2.585 274 HZ2 TRP 36 HZ2 TRP 36 0.492 -9.131 4.438 275 HZ3 TRP 36 HZ3 TRP 36 0.652 -4.907 4.867 276 HH2 TRP 36 HH2 TRP 36 0.191 -7.106 5.786 277 H THR 37 H THR 37 -0.548 -4.339 -1.823 278 HA THR 37 HA THR 37 0.810 -2.552 -3.661 279 HB THR 37 HB THR 37 -2.049 -2.756 -2.689 280 HG1 THR 37 HG1 THR 37 -0.618 -3.737 -4.843 281 HG21 THR 37 HG21 THR 37 -2.579 -1.100 -4.492 282 HG22 THR 37 HG22 THR 37 -0.848 -0.783 -4.631 283 HG23 THR 37 HG23 THR 37 -1.694 -0.430 -3.121 284 H CYS 38 H CYS 38 1.161 -0.300 -3.227 285 HA CYS 38 HA CYS 38 1.196 0.382 -0.401 286 HB2 CYS 38 HB2 CYS 38 1.881 2.220 -2.711 287 HB3 CYS 38 HB3 CYS 38 2.420 2.321 -1.041 288 H CYS 39 H CYS 39 -0.554 1.268 0.555 289 HA CYS 39 HA CYS 39 -2.618 2.296 -1.267 290 HB2 CYS 39 HB2 CYS 39 -2.998 0.320 0.411 291 HB3 CYS 39 HB3 CYS 39 -3.180 1.623 1.578 292 H LYS 40 H LYS 40 -2.845 4.369 -1.340 293 HA LYS 40 HA LYS 40 -1.902 6.070 0.788 294 HB2 LYS 40 HB2 LYS 40 -1.806 6.610 -1.712 295 HB3 LYS 40 HB3 LYS 40 -3.531 6.905 -1.613 296 HG2 LYS 40 HG2 LYS 40 -1.574 8.346 0.141 297 HG3 LYS 40 HG3 LYS 40 -1.976 8.908 -1.481 298 HD2 LYS 40 HD2 LYS 40 -4.396 8.872 -0.759 299 HD3 LYS 40 HD3 LYS 40 -3.813 8.614 0.887 300 HE2 LYS 40 HE2 LYS 40 -4.285 10.987 0.387 301 HE3 LYS 40 HE3 LYS 40 -2.604 10.697 0.832 302 HZ1 LYS 40 HZ1 LYS 40 -3.488 10.794 -1.991 303 HZ2 LYS 40 HZ2 LYS 40 -1.914 10.928 -1.378 304 HZ3 LYS 40 HZ3 LYS 40 -3.018 12.183 -1.146 305 H GLU 41 H GLU 41 -3.113 5.321 2.455 306 HA GLU 41 HA GLU 41 -4.698 5.458 4.020 307 HB2 GLU 41 HB2 GLU 41 -4.885 7.817 3.291 308 HB3 GLU 41 HB3 GLU 41 -6.143 7.349 2.158 309 HG2 GLU 41 HG2 GLU 41 -7.105 8.306 4.162 310 HG3 GLU 41 HG3 GLU 41 -7.540 6.605 4.014 311 H ILE 42 H ILE 42 -6.638 4.522 4.638 312 HA ILE 42 HA ILE 42 -8.028 3.068 2.511 313 HB ILE 42 HB ILE 42 -8.190 1.067 3.926 314 HG12 ILE 42 HG12 ILE 42 -7.811 2.196 6.149 315 HG13 ILE 42 HG13 ILE 42 -6.874 0.732 5.908 316 HG21 ILE 42 HG21 ILE 42 -5.858 0.324 3.633 317 HG22 ILE 42 HG22 ILE 42 -5.397 1.999 3.316 318 HG23 ILE 42 HG23 ILE 42 -6.507 1.167 2.226 319 HD11 ILE 42 HD11 ILE 42 -4.920 2.156 5.338 320 HD12 ILE 42 HD12 ILE 42 -5.507 2.352 6.987 321 HD13 ILE 42 HD13 ILE 42 -5.885 3.566 5.769 Start of MODEL 9 1 H1 ASP 1 H1 ASP 1 15.150 -5.848 -3.791 2 H2 ASP 1 H2 ASP 1 15.210 -6.535 -2.246 3 H3 ASP 1 H3 ASP 1 16.309 -7.027 -3.433 4 HA ASP 1 HA ASP 1 17.286 -4.833 -3.483 5 HB2 ASP 1 HB2 ASP 1 16.676 -3.208 -1.726 6 HB3 ASP 1 HB3 ASP 1 15.325 -3.542 -2.801 7 H THR 2 H THR 2 19.252 -5.077 -2.692 8 HA THR 2 HA THR 2 19.762 -6.911 -0.535 9 HB THR 2 HB THR 2 21.752 -5.061 -1.858 10 HG1 THR 2 HG1 THR 2 20.298 -6.939 -3.026 11 HG21 THR 2 HG21 THR 2 22.072 -7.763 -0.536 12 HG22 THR 2 HG22 THR 2 22.536 -6.212 0.165 13 HG23 THR 2 HG23 THR 2 23.362 -6.811 -1.273 14 H THR 3 H THR 3 19.652 -3.513 -1.054 15 HA THR 3 HA THR 3 19.588 -3.083 1.828 16 HB THR 3 HB THR 3 21.849 -2.427 1.259 17 HG1 THR 3 HG1 THR 3 21.630 -0.663 2.405 18 HG21 THR 3 HG21 THR 3 20.607 -0.682 -0.868 19 HG22 THR 3 HG22 THR 3 21.588 -2.122 -1.145 20 HG23 THR 3 HG23 THR 3 22.313 -0.688 -0.416 21 H SER 4 H SER 4 18.023 -1.644 2.417 22 HA SER 4 HA SER 4 16.191 -0.925 0.326 23 HB2 SER 4 HB2 SER 4 15.980 -0.466 3.306 24 HB3 SER 4 HB3 SER 4 14.672 -0.315 2.128 25 HG SER 4 HG SER 4 15.409 -2.650 1.632 26 H ASP 5 H ASP 5 17.030 0.696 -0.832 27 HA ASP 5 HA ASP 5 16.997 3.321 0.444 28 HB2 ASP 5 HB2 ASP 5 19.382 2.626 0.340 29 HB3 ASP 5 HB3 ASP 5 19.219 2.389 -1.396 30 H PHE 6 H PHE 6 15.192 3.984 -0.564 31 HA PHE 6 HA PHE 6 15.026 4.585 -3.286 32 HB2 PHE 6 HB2 PHE 6 13.183 2.783 -3.755 33 HB3 PHE 6 HB3 PHE 6 14.877 2.353 -3.948 34 HD1 PHE 6 HD1 PHE 6 12.749 2.579 -0.877 35 HD2 PHE 6 HD2 PHE 6 15.066 0.120 -3.466 36 HE1 PHE 6 HE1 PHE 6 12.460 0.684 0.666 37 HE2 PHE 6 HE2 PHE 6 14.777 -1.774 -1.927 38 HZ PHE 6 HZ PHE 6 13.474 -1.494 0.139 39 H HIS 7 H HIS 7 12.412 4.561 -3.831 40 HA HIS 7 HA HIS 7 11.284 6.218 -1.742 41 HB2 HIS 7 HB2 HIS 7 10.385 5.519 -4.530 42 HB3 HIS 7 HB3 HIS 7 9.359 6.405 -3.410 43 HD1 HIS 7 HD1 HIS 7 11.408 7.105 -6.122 44 HD2 HIS 7 HD2 HIS 7 11.132 8.703 -2.297 45 HE1 HIS 7 HE1 HIS 7 12.430 9.396 -6.277 46 HE2 HIS 7 HE2 HIS 7 12.418 10.266 -3.913 47 H THR 8 H THR 8 10.626 5.041 -0.067 48 HA THR 8 HA THR 8 9.433 2.491 -0.254 49 HB THR 8 HB THR 8 8.770 3.054 2.200 50 HG1 THR 8 HG1 THR 8 10.341 4.791 2.915 51 HG21 THR 8 HG21 THR 8 10.634 1.597 1.614 52 HG22 THR 8 HG22 THR 8 11.087 2.656 2.949 53 HG23 THR 8 HG23 THR 8 11.661 2.999 1.318 54 H CYS 9 H CYS 9 7.271 2.402 1.335 55 HA CYS 9 HA CYS 9 5.265 3.600 -0.410 56 HB2 CYS 9 HB2 CYS 9 5.080 1.435 1.706 57 HB3 CYS 9 HB3 CYS 9 3.709 2.022 0.763 58 H GLN 10 H GLN 10 5.338 2.900 3.087 59 HA GLN 10 HA GLN 10 3.639 5.186 3.567 60 HB2 GLN 10 HB2 GLN 10 4.041 4.474 6.014 61 HB3 GLN 10 HB3 GLN 10 3.140 3.380 4.977 62 HG2 GLN 10 HG2 GLN 10 5.337 2.194 4.566 63 HG3 GLN 10 HG3 GLN 10 5.982 3.146 5.901 64 HE21 GLN 10 HE21 GLN 10 5.605 0.268 5.613 65 HE22 GLN 10 HE22 GLN 10 4.604 -0.218 6.932 66 H ASP 11 H ASP 11 4.555 7.059 3.348 67 HA ASP 11 HA ASP 11 6.317 8.402 4.838 68 HB2 ASP 11 HB2 ASP 11 7.983 6.546 4.324 69 HB3 ASP 11 HB3 ASP 11 7.956 7.077 2.649 70 H LYS 12 H LYS 12 6.091 7.500 1.396 71 HA LYS 12 HA LYS 12 5.873 10.309 0.642 72 HB2 LYS 12 HB2 LYS 12 5.985 7.800 -1.041 73 HB3 LYS 12 HB3 LYS 12 5.983 9.434 -1.671 74 HG2 LYS 12 HG2 LYS 12 8.185 8.608 -1.762 75 HG3 LYS 12 HG3 LYS 12 8.146 9.817 -0.486 76 HD2 LYS 12 HD2 LYS 12 7.978 7.999 1.153 77 HD3 LYS 12 HD3 LYS 12 8.077 6.817 -0.153 78 HE2 LYS 12 HE2 LYS 12 10.242 7.039 0.848 79 HE3 LYS 12 HE3 LYS 12 10.285 7.766 -0.756 80 HZ1 LYS 12 HZ1 LYS 12 10.083 9.944 0.255 81 HZ2 LYS 12 HZ2 LYS 12 11.417 9.131 0.898 82 HZ3 LYS 12 HZ3 LYS 12 9.987 9.256 1.801 83 H GLY 13 H GLY 13 4.021 7.345 0.741 84 HA2 GLY 13 HA2 GLY 13 1.678 8.829 -0.265 85 HA3 GLY 13 HA3 GLY 13 2.015 7.182 -0.751 86 H GLY 14 H GLY 14 1.765 5.518 0.724 87 HA2 GLY 14 HA2 GLY 14 0.417 6.062 3.229 88 HA3 GLY 14 HA3 GLY 14 -0.557 5.286 1.991 89 H HIS 15 H HIS 15 -0.697 3.544 3.622 90 HA HIS 15 HA HIS 15 1.797 2.216 4.321 91 HB2 HIS 15 HB2 HIS 15 0.540 1.060 5.974 92 HB3 HIS 15 HB3 HIS 15 -0.093 2.697 5.975 93 HD1 HIS 15 HD1 HIS 15 -1.309 -0.515 6.325 94 HD2 HIS 15 HD2 HIS 15 -2.429 2.675 3.906 95 HE1 HIS 15 HE1 HIS 15 -3.684 -0.965 5.663 96 HE2 HIS 15 HE2 HIS 15 -4.396 1.086 4.400 97 H CYS 16 H CYS 16 1.948 -0.135 4.199 98 HA CYS 16 HA CYS 16 1.263 -1.031 1.554 99 HB2 CYS 16 HB2 CYS 16 2.686 -2.445 3.818 100 HB3 CYS 16 HB3 CYS 16 2.563 -3.037 2.164 101 H VAL 17 H VAL 17 -0.327 -2.359 0.973 102 HA VAL 17 HA VAL 17 -1.897 -3.625 3.116 103 HB VAL 17 HB VAL 17 -3.927 -3.316 1.796 104 HG11 VAL 17 HG11 VAL 17 -3.390 -1.616 3.430 105 HG12 VAL 17 HG12 VAL 17 -4.180 -0.889 2.032 106 HG13 VAL 17 HG13 VAL 17 -2.435 -0.735 2.238 107 HG21 VAL 17 HG21 VAL 17 -3.962 -1.882 -0.188 108 HG22 VAL 17 HG22 VAL 17 -2.963 -3.314 -0.440 109 HG23 VAL 17 HG23 VAL 17 -2.204 -1.754 -0.123 110 H SER 18 H SER 18 -2.490 -5.642 2.876 111 HA SER 18 HA SER 18 -1.103 -7.257 1.010 112 HB2 SER 18 HB2 SER 18 -2.360 -9.088 2.111 113 HB3 SER 18 HB3 SER 18 -1.561 -8.038 3.258 114 HG SER 18 HG SER 18 -4.313 -8.090 2.579 115 HA PRO 19 HA PRO 19 -3.385 -7.503 -2.683 116 HB2 PRO 19 HB2 PRO 19 -3.981 -10.316 -1.826 117 HB3 PRO 19 HB3 PRO 19 -3.540 -9.708 -3.428 118 HG2 PRO 19 HG2 PRO 19 -1.707 -10.815 -1.854 119 HG3 PRO 19 HG3 PRO 19 -1.321 -9.396 -2.846 120 HD2 PRO 19 HD2 PRO 19 -1.649 -9.607 0.081 121 HD3 PRO 19 HD3 PRO 19 -0.767 -8.406 -0.880 122 H LYS 20 H LYS 20 -5.080 -9.074 0.040 123 HA LYS 20 HA LYS 20 -7.639 -8.543 -1.265 124 HB2 LYS 20 HB2 LYS 20 -7.036 -10.806 -0.283 125 HB3 LYS 20 HB3 LYS 20 -7.180 -10.062 1.299 126 HG2 LYS 20 HG2 LYS 20 -9.210 -11.257 0.721 127 HG3 LYS 20 HG3 LYS 20 -9.519 -9.524 0.841 128 HD2 LYS 20 HD2 LYS 20 -9.412 -9.332 -1.595 129 HD3 LYS 20 HD3 LYS 20 -9.082 -11.061 -1.718 130 HE2 LYS 20 HE2 LYS 20 -11.413 -10.663 -2.171 131 HE3 LYS 20 HE3 LYS 20 -11.257 -11.512 -0.637 132 HZ1 LYS 20 HZ1 LYS 20 -11.538 -9.391 0.509 133 HZ2 LYS 20 HZ2 LYS 20 -12.869 -9.740 -0.475 134 HZ3 LYS 20 HZ3 LYS 20 -11.726 -8.599 -0.974 135 H ILE 21 H ILE 21 -6.372 -6.237 -0.353 136 HA ILE 21 HA ILE 21 -8.165 -5.460 1.859 137 HB ILE 21 HB ILE 21 -5.509 -4.243 1.084 138 HG12 ILE 21 HG12 ILE 21 -5.310 -6.383 2.276 139 HG13 ILE 21 HG13 ILE 21 -4.733 -5.041 3.253 140 HG21 ILE 21 HG21 ILE 21 -7.386 -3.469 3.312 141 HG22 ILE 21 HG22 ILE 21 -7.075 -2.535 1.850 142 HG23 ILE 21 HG23 ILE 21 -5.786 -2.786 3.027 143 HD11 ILE 21 HD11 ILE 21 -5.990 -6.588 4.609 144 HD12 ILE 21 HD12 ILE 21 -7.377 -6.449 3.531 145 HD13 ILE 21 HD13 ILE 21 -6.861 -5.059 4.486 146 H ARG 22 H ARG 22 -9.504 -3.739 1.546 147 HA ARG 22 HA ARG 22 -9.961 -2.813 -1.106 148 HB2 ARG 22 HB2 ARG 22 -11.786 -3.116 0.487 149 HB3 ARG 22 HB3 ARG 22 -11.075 -1.918 1.557 150 HG2 ARG 22 HG2 ARG 22 -11.622 -0.996 -1.166 151 HG3 ARG 22 HG3 ARG 22 -13.038 -1.409 -0.202 152 HD2 ARG 22 HD2 ARG 22 -10.849 0.519 0.572 153 HD3 ARG 22 HD3 ARG 22 -12.484 0.946 0.059 154 HE ARG 22 HE ARG 22 -12.106 -0.725 2.439 155 HH11 ARG 22 HH11 ARG 22 -13.162 2.284 0.997 156 HH12 ARG 22 HH12 ARG 22 -13.939 2.844 2.441 157 HH21 ARG 22 HH21 ARG 22 -13.123 0.011 4.334 158 HH22 ARG 22 HH22 ARG 22 -13.914 1.554 4.339 159 H CYS 23 H CYS 23 -8.846 -1.270 -2.089 160 HA CYS 23 HA CYS 23 -7.293 0.601 -0.451 161 HB2 CYS 23 HB2 CYS 23 -6.202 -0.889 -2.228 162 HB3 CYS 23 HB3 CYS 23 -6.989 0.151 -3.412 163 H LEU 24 H LEU 24 -7.509 2.769 -0.627 164 HA LEU 24 HA LEU 24 -9.825 3.766 -2.078 165 HB2 LEU 24 HB2 LEU 24 -8.105 4.783 0.119 166 HB3 LEU 24 HB3 LEU 24 -8.906 5.964 -0.900 167 HG LEU 24 HG LEU 24 -11.085 4.978 -0.338 168 HD11 LEU 24 HD11 LEU 24 -9.503 3.181 1.489 169 HD12 LEU 24 HD12 LEU 24 -10.398 2.681 0.058 170 HD13 LEU 24 HD13 LEU 24 -11.259 3.323 1.457 171 HD21 LEU 24 HD21 LEU 24 -10.205 6.822 0.984 172 HD22 LEU 24 HD22 LEU 24 -9.409 5.678 2.065 173 HD23 LEU 24 HD23 LEU 24 -11.169 5.731 1.976 174 H GLU 25 H GLU 25 -6.394 4.710 -1.734 175 HA GLU 25 HA GLU 25 -6.433 5.392 -4.594 176 HB2 GLU 25 HB2 GLU 25 -6.589 7.466 -3.231 177 HB3 GLU 25 HB3 GLU 25 -5.085 7.029 -2.438 178 HG2 GLU 25 HG2 GLU 25 -4.587 8.645 -4.102 179 HG3 GLU 25 HG3 GLU 25 -3.969 7.092 -4.661 180 H GLU 26 H GLU 26 -5.132 3.910 -5.480 181 HA GLU 26 HA GLU 26 -3.085 2.599 -4.018 182 HB2 GLU 26 HB2 GLU 26 -3.582 2.673 -6.989 183 HB3 GLU 26 HB3 GLU 26 -2.439 1.615 -6.184 184 HG2 GLU 26 HG2 GLU 26 -4.280 0.584 -4.938 185 HG3 GLU 26 HG3 GLU 26 -5.420 1.617 -5.798 186 H GLN 27 H GLN 27 -0.996 2.939 -3.893 187 HA GLN 27 HA GLN 27 0.164 5.221 -5.340 188 HB2 GLN 27 HB2 GLN 27 -0.432 5.188 -2.661 189 HB3 GLN 27 HB3 GLN 27 1.230 4.623 -2.658 190 HG2 GLN 27 HG2 GLN 27 0.353 7.145 -4.027 191 HG3 GLN 27 HG3 GLN 27 0.895 7.088 -2.354 192 HE21 GLN 27 HE21 GLN 27 3.057 6.595 -1.912 193 HE22 GLN 27 HE22 GLN 27 4.287 6.758 -3.110 194 H LEU 28 H LEU 28 2.438 5.027 -5.722 195 HA LEU 28 HA LEU 28 3.300 2.235 -5.814 196 HB2 LEU 28 HB2 LEU 28 5.066 3.257 -7.427 197 HB3 LEU 28 HB3 LEU 28 3.432 2.961 -7.979 198 HG LEU 28 HG LEU 28 2.987 5.431 -7.446 199 HD11 LEU 28 HD11 LEU 28 4.947 5.890 -6.115 200 HD12 LEU 28 HD12 LEU 28 4.963 6.884 -7.571 201 HD13 LEU 28 HD13 LEU 28 5.997 5.460 -7.465 202 HD21 LEU 28 HD21 LEU 28 4.867 4.657 -9.667 203 HD22 LEU 28 HD22 LEU 28 3.902 6.132 -9.612 204 HD23 LEU 28 HD23 LEU 28 3.107 4.561 -9.700 205 H GLY 29 H GLY 29 5.091 1.528 -4.837 206 HA2 GLY 29 HA2 GLY 29 7.130 3.207 -3.792 207 HA3 GLY 29 HA3 GLY 29 5.984 2.763 -2.533 208 H LEU 30 H LEU 30 8.066 1.783 -1.711 209 HA LEU 30 HA LEU 30 8.490 -0.870 -2.892 210 HB2 LEU 30 HB2 LEU 30 10.242 0.969 -1.339 211 HB3 LEU 30 HB3 LEU 30 10.519 -0.750 -1.206 212 HG LEU 30 HG LEU 30 12.007 0.219 -2.848 213 HD11 LEU 30 HD11 LEU 30 9.872 -1.432 -4.183 214 HD12 LEU 30 HD12 LEU 30 11.207 -2.058 -3.217 215 HD13 LEU 30 HD13 LEU 30 11.533 -1.222 -4.735 216 HD21 LEU 30 HD21 LEU 30 10.544 2.130 -3.436 217 HD22 LEU 30 HD22 LEU 30 9.559 1.027 -4.401 218 HD23 LEU 30 HD23 LEU 30 11.246 1.311 -4.835 219 H CYS 31 H CYS 31 6.905 -2.057 -1.968 220 HA CYS 31 HA CYS 31 6.958 -2.318 0.957 221 HB2 CYS 31 HB2 CYS 31 4.990 -3.403 -1.073 222 HB3 CYS 31 HB3 CYS 31 4.897 -3.667 0.663 223 HA PRO 32 HA PRO 32 9.078 -6.123 -0.062 224 HB2 PRO 32 HB2 PRO 32 10.214 -6.560 2.303 225 HB3 PRO 32 HB3 PRO 32 10.692 -5.160 1.337 226 HG2 PRO 32 HG2 PRO 32 8.996 -5.291 3.776 227 HG3 PRO 32 HG3 PRO 32 10.068 -3.988 3.223 228 HD2 PRO 32 HD2 PRO 32 7.234 -4.194 2.878 229 HD3 PRO 32 HD3 PRO 32 8.305 -2.938 2.233 230 H LEU 33 H LEU 33 7.363 -7.492 -0.409 231 HA LEU 33 HA LEU 33 6.859 -9.595 1.343 232 HB2 LEU 33 HB2 LEU 33 4.733 -7.447 1.294 233 HB3 LEU 33 HB3 LEU 33 4.324 -9.116 1.580 234 HG LEU 33 HG LEU 33 6.067 -7.378 3.312 235 HD11 LEU 33 HD11 LEU 33 3.396 -8.653 3.828 236 HD12 LEU 33 HD12 LEU 33 3.703 -6.937 3.560 237 HD13 LEU 33 HD13 LEU 33 4.349 -7.736 4.995 238 HD21 LEU 33 HD21 LEU 33 7.024 -9.551 3.359 239 HD22 LEU 33 HD22 LEU 33 5.439 -10.311 3.524 240 HD23 LEU 33 HD23 LEU 33 6.096 -9.342 4.844 241 H LYS 34 H LYS 34 4.098 -10.051 0.257 242 HA LYS 34 HA LYS 34 4.898 -11.019 -2.316 243 HB2 LYS 34 HB2 LYS 34 2.218 -11.045 -0.931 244 HB3 LYS 34 HB3 LYS 34 2.562 -11.855 -2.452 245 HG2 LYS 34 HG2 LYS 34 4.264 -13.228 -1.320 246 HG3 LYS 34 HG3 LYS 34 3.832 -12.461 0.207 247 HD2 LYS 34 HD2 LYS 34 1.971 -14.069 -1.541 248 HD3 LYS 34 HD3 LYS 34 2.741 -14.645 -0.062 249 HE2 LYS 34 HE2 LYS 34 1.574 -12.906 1.210 250 HE3 LYS 34 HE3 LYS 34 0.798 -12.344 -0.267 251 HZ1 LYS 34 HZ1 LYS 34 -0.261 -14.515 -0.472 252 HZ2 LYS 34 HZ2 LYS 34 -0.672 -13.764 0.984 253 HZ3 LYS 34 HZ3 LYS 34 0.459 -15.017 0.972 254 H ARG 35 H ARG 35 1.803 -10.363 -2.866 255 HA ARG 35 HA ARG 35 2.421 -8.352 -4.813 256 HB2 ARG 35 HB2 ARG 35 -0.100 -9.869 -4.176 257 HB3 ARG 35 HB3 ARG 35 0.003 -8.674 -5.457 258 HG2 ARG 35 HG2 ARG 35 1.947 -10.928 -5.385 259 HG3 ARG 35 HG3 ARG 35 0.310 -11.202 -5.980 260 HD2 ARG 35 HD2 ARG 35 1.919 -10.670 -7.777 261 HD3 ARG 35 HD3 ARG 35 0.592 -9.520 -7.679 262 HE ARG 35 HE ARG 35 2.119 -7.944 -6.676 263 HH11 ARG 35 HH11 ARG 35 3.581 -10.771 -8.130 264 HH12 ARG 35 HH12 ARG 35 5.125 -10.017 -8.353 265 HH21 ARG 35 HH21 ARG 35 4.155 -6.941 -6.980 266 HH22 ARG 35 HH22 ARG 35 5.454 -7.839 -7.701 267 H TRP 36 H TRP 36 2.696 -7.355 -2.214 268 HA TRP 36 HA TRP 36 0.290 -6.148 -1.275 269 HB2 TRP 36 HB2 TRP 36 3.182 -5.979 -0.494 270 HB3 TRP 36 HB3 TRP 36 1.990 -4.902 0.228 271 HD1 TRP 36 HD1 TRP 36 2.010 -8.747 -0.423 272 HE1 TRP 36 HE1 TRP 36 1.243 -9.898 1.745 273 HE3 TRP 36 HE3 TRP 36 1.362 -4.611 2.502 274 HZ2 TRP 36 HZ2 TRP 36 0.458 -9.139 4.360 275 HZ3 TRP 36 HZ3 TRP 36 0.590 -4.913 4.794 276 HH2 TRP 36 HH2 TRP 36 0.154 -7.121 5.713 277 H THR 37 H THR 37 -0.534 -4.258 -1.629 278 HA THR 37 HA THR 37 0.687 -2.482 -3.604 279 HB THR 37 HB THR 37 -2.101 -2.583 -2.416 280 HG1 THR 37 HG1 THR 37 -0.982 -3.540 -4.848 281 HG21 THR 37 HG21 THR 37 -1.590 -0.318 -3.118 282 HG22 THR 37 HG22 THR 37 -2.735 -1.054 -4.241 283 HG23 THR 37 HG23 THR 37 -1.036 -0.906 -4.684 284 H CYS 38 H CYS 38 1.022 -0.228 -3.178 285 HA CYS 38 HA CYS 38 1.184 0.442 -0.339 286 HB2 CYS 38 HB2 CYS 38 1.956 2.145 -2.718 287 HB3 CYS 38 HB3 CYS 38 2.453 2.362 -1.044 288 H CYS 39 H CYS 39 -0.716 1.122 0.519 289 HA CYS 39 HA CYS 39 -2.629 2.372 -1.317 290 HB2 CYS 39 HB2 CYS 39 -3.122 0.348 0.279 291 HB3 CYS 39 HB3 CYS 39 -3.321 1.618 1.476 292 H LYS 40 H LYS 40 -2.809 4.477 -1.310 293 HA LYS 40 HA LYS 40 -1.993 6.028 0.984 294 HB2 LYS 40 HB2 LYS 40 -1.904 6.676 -1.576 295 HB3 LYS 40 HB3 LYS 40 -3.549 7.223 -1.274 296 HG2 LYS 40 HG2 LYS 40 -1.162 8.123 0.328 297 HG3 LYS 40 HG3 LYS 40 -1.805 8.995 -1.063 298 HD2 LYS 40 HD2 LYS 40 -3.817 9.481 0.036 299 HD3 LYS 40 HD3 LYS 40 -3.528 8.258 1.269 300 HE2 LYS 40 HE2 LYS 40 -1.817 10.711 0.942 301 HE3 LYS 40 HE3 LYS 40 -3.220 10.650 2.006 302 HZ1 LYS 40 HZ1 LYS 40 -0.788 8.950 2.206 303 HZ2 LYS 40 HZ2 LYS 40 -2.158 8.795 3.194 304 HZ3 LYS 40 HZ3 LYS 40 -1.224 10.208 3.250 305 H GLU 41 H GLU 41 -3.217 5.434 2.608 306 HA GLU 41 HA GLU 41 -4.843 5.497 4.118 307 HB2 GLU 41 HB2 GLU 41 -6.435 7.129 2.143 308 HB3 GLU 41 HB3 GLU 41 -6.813 6.889 3.838 309 HG2 GLU 41 HG2 GLU 41 -4.662 8.532 2.607 310 HG3 GLU 41 HG3 GLU 41 -5.849 8.973 3.823 311 H ILE 42 H ILE 42 -6.972 4.696 4.647 312 HA ILE 42 HA ILE 42 -8.110 2.823 2.717 313 HB ILE 42 HB ILE 42 -8.160 1.100 4.615 314 HG12 ILE 42 HG12 ILE 42 -5.925 2.899 5.578 315 HG13 ILE 42 HG13 ILE 42 -7.432 2.565 6.418 316 HG21 ILE 42 HG21 ILE 42 -6.895 0.770 2.591 317 HG22 ILE 42 HG22 ILE 42 -5.957 0.212 3.977 318 HG23 ILE 42 HG23 ILE 42 -5.576 1.759 3.220 319 HD11 ILE 42 HD11 ILE 42 -5.190 0.633 5.889 320 HD12 ILE 42 HD12 ILE 42 -6.732 0.206 6.635 321 HD13 ILE 42 HD13 ILE 42 -5.645 1.341 7.437 Start of MODEL 10 1 H1 ASP 1 H1 ASP 1 17.501 -7.014 -1.198 2 H2 ASP 1 H2 ASP 1 18.782 -7.089 -2.295 3 H3 ASP 1 H3 ASP 1 17.385 -6.223 -2.688 4 HA ASP 1 HA ASP 1 19.183 -4.746 -2.075 5 HB2 ASP 1 HB2 ASP 1 17.969 -3.474 -0.321 6 HB3 ASP 1 HB3 ASP 1 16.914 -3.998 -1.629 7 H THR 2 H THR 2 20.812 -4.165 -0.715 8 HA THR 2 HA THR 2 21.656 -6.144 1.231 9 HB THR 2 HB THR 2 23.039 -3.583 0.404 10 HG1 THR 2 HG1 THR 2 23.226 -6.230 -0.655 11 HG21 THR 2 HG21 THR 2 25.070 -4.706 1.189 12 HG22 THR 2 HG22 THR 2 24.111 -6.101 1.681 13 HG23 THR 2 HG23 THR 2 23.887 -4.550 2.488 14 H THR 3 H THR 3 20.134 -3.104 1.103 15 HA THR 3 HA THR 3 19.665 -3.056 3.922 16 HB THR 3 HB THR 3 21.930 -2.037 3.827 17 HG1 THR 3 HG1 THR 3 20.702 -1.264 5.486 18 HG21 THR 3 HG21 THR 3 20.597 0.081 2.138 19 HG22 THR 3 HG22 THR 3 21.826 -1.061 1.595 20 HG23 THR 3 HG23 THR 3 22.232 0.167 2.793 21 H SER 4 H SER 4 18.121 -1.306 4.460 22 HA SER 4 HA SER 4 16.316 -0.945 2.268 23 HB2 SER 4 HB2 SER 4 15.486 -1.503 4.517 24 HB3 SER 4 HB3 SER 4 16.095 0.033 5.123 25 HG SER 4 HG SER 4 14.327 0.912 4.438 26 H ASP 5 H ASP 5 17.227 0.412 0.853 27 HA ASP 5 HA ASP 5 16.914 3.221 1.518 28 HB2 ASP 5 HB2 ASP 5 19.288 3.042 1.783 29 HB3 ASP 5 HB3 ASP 5 19.441 2.045 0.342 30 H PHE 6 H PHE 6 15.174 3.401 0.284 31 HA PHE 6 HA PHE 6 15.306 3.591 -2.501 32 HB2 PHE 6 HB2 PHE 6 13.585 1.624 -2.837 33 HB3 PHE 6 HB3 PHE 6 15.311 1.297 -2.859 34 HD1 PHE 6 HD1 PHE 6 15.829 -0.702 -1.892 35 HD2 PHE 6 HD2 PHE 6 12.728 1.639 -0.157 36 HE1 PHE 6 HE1 PHE 6 15.529 -2.403 -0.146 37 HE2 PHE 6 HE2 PHE 6 12.425 -0.059 1.591 38 HZ PHE 6 HZ PHE 6 13.818 -2.091 1.597 39 H HIS 7 H HIS 7 12.784 3.466 -3.309 40 HA HIS 7 HA HIS 7 11.523 5.393 -1.538 41 HB2 HIS 7 HB2 HIS 7 10.891 4.450 -4.332 42 HB3 HIS 7 HB3 HIS 7 9.800 5.500 -3.431 43 HD1 HIS 7 HD1 HIS 7 11.847 5.971 -6.061 44 HD2 HIS 7 HD2 HIS 7 11.915 7.647 -2.255 45 HE1 HIS 7 HE1 HIS 7 13.109 8.131 -6.298 46 HE2 HIS 7 HE2 HIS 7 12.955 9.214 -4.032 47 H THR 8 H THR 8 10.715 4.332 0.163 48 HA THR 8 HA THR 8 9.366 1.842 -0.017 49 HB THR 8 HB THR 8 8.632 2.485 2.368 50 HG1 THR 8 HG1 THR 8 9.582 4.263 3.252 51 HG21 THR 8 HG21 THR 8 11.571 2.349 1.683 52 HG22 THR 8 HG22 THR 8 10.489 0.970 1.884 53 HG23 THR 8 HG23 THR 8 10.865 2.004 3.262 54 H CYS 9 H CYS 9 7.111 1.912 1.327 55 HA CYS 9 HA CYS 9 5.339 3.392 -0.451 56 HB2 CYS 9 HB2 CYS 9 4.831 1.239 1.618 57 HB3 CYS 9 HB3 CYS 9 3.553 2.019 0.689 58 H GLN 10 H GLN 10 5.190 2.683 3.037 59 HA GLN 10 HA GLN 10 3.732 5.108 3.500 60 HB2 GLN 10 HB2 GLN 10 4.101 4.394 5.958 61 HB3 GLN 10 HB3 GLN 10 3.083 3.389 4.944 62 HG2 GLN 10 HG2 GLN 10 5.216 2.021 4.521 63 HG3 GLN 10 HG3 GLN 10 5.856 2.864 5.930 64 HE21 GLN 10 HE21 GLN 10 5.283 0.036 5.538 65 HE22 GLN 10 HE22 GLN 10 4.162 -0.402 6.779 66 H ASP 11 H ASP 11 4.781 6.895 3.260 67 HA ASP 11 HA ASP 11 6.690 8.077 4.737 68 HB2 ASP 11 HB2 ASP 11 8.202 6.145 4.089 69 HB3 ASP 11 HB3 ASP 11 8.103 6.702 2.422 70 H LYS 12 H LYS 12 6.226 7.314 1.274 71 HA LYS 12 HA LYS 12 6.101 10.176 0.663 72 HB2 LYS 12 HB2 LYS 12 5.952 7.772 -1.165 73 HB3 LYS 12 HB3 LYS 12 6.033 9.443 -1.685 74 HG2 LYS 12 HG2 LYS 12 8.144 8.460 -1.987 75 HG3 LYS 12 HG3 LYS 12 8.290 9.587 -0.647 76 HD2 LYS 12 HD2 LYS 12 8.164 7.712 0.904 77 HD3 LYS 12 HD3 LYS 12 7.988 6.592 -0.446 78 HE2 LYS 12 HE2 LYS 12 10.273 6.562 0.274 79 HE3 LYS 12 HE3 LYS 12 10.188 7.362 -1.293 80 HZ1 LYS 12 HZ1 LYS 12 10.307 9.498 -0.179 81 HZ2 LYS 12 HZ2 LYS 12 11.637 8.543 0.247 82 HZ3 LYS 12 HZ3 LYS 12 10.350 8.739 1.335 83 H GLY 13 H GLY 13 4.149 7.272 0.668 84 HA2 GLY 13 HA2 GLY 13 1.805 8.911 -0.048 85 HA3 GLY 13 HA3 GLY 13 2.048 7.305 -0.708 86 H GLY 14 H GLY 14 1.234 5.644 0.308 87 HA2 GLY 14 HA2 GLY 14 0.189 6.081 3.020 88 HA3 GLY 14 HA3 GLY 14 -0.713 5.214 1.788 89 H HIS 15 H HIS 15 -0.765 3.539 3.463 90 HA HIS 15 HA HIS 15 1.781 2.313 4.166 91 HB2 HIS 15 HB2 HIS 15 0.566 1.157 5.865 92 HB3 HIS 15 HB3 HIS 15 -0.007 2.814 5.871 93 HD1 HIS 15 HD1 HIS 15 -1.362 -0.262 6.461 94 HD2 HIS 15 HD2 HIS 15 -2.407 2.731 3.772 95 HE1 HIS 15 HE1 HIS 15 -3.775 -0.675 5.894 96 HE2 HIS 15 HE2 HIS 15 -4.343 1.065 4.170 97 H CYS 16 H CYS 16 1.995 -0.030 4.110 98 HA CYS 16 HA CYS 16 1.306 -1.025 1.514 99 HB2 CYS 16 HB2 CYS 16 2.712 -2.374 3.832 100 HB3 CYS 16 HB3 CYS 16 2.622 -2.994 2.185 101 H VAL 17 H VAL 17 -0.407 -2.186 0.997 102 HA VAL 17 HA VAL 17 -1.848 -3.578 3.160 103 HB VAL 17 HB VAL 17 -3.921 -3.288 1.925 104 HG11 VAL 17 HG11 VAL 17 -4.210 -0.874 2.178 105 HG12 VAL 17 HG12 VAL 17 -2.460 -0.675 2.275 106 HG13 VAL 17 HG13 VAL 17 -3.317 -1.571 3.529 107 HG21 VAL 17 HG21 VAL 17 -2.295 -1.712 -0.072 108 HG22 VAL 17 HG22 VAL 17 -4.054 -1.856 -0.064 109 HG23 VAL 17 HG23 VAL 17 -3.053 -3.281 -0.352 110 H SER 18 H SER 18 -2.379 -5.613 2.901 111 HA SER 18 HA SER 18 -0.936 -7.172 1.045 112 HB2 SER 18 HB2 SER 18 -2.066 -9.050 2.101 113 HB3 SER 18 HB3 SER 18 -1.516 -7.920 3.321 114 HG SER 18 HG SER 18 -3.520 -7.411 3.810 115 HA PRO 19 HA PRO 19 -3.496 -7.299 -2.506 116 HB2 PRO 19 HB2 PRO 19 -3.298 -9.921 -3.258 117 HB3 PRO 19 HB3 PRO 19 -2.024 -8.721 -3.503 118 HG2 PRO 19 HG2 PRO 19 -2.334 -10.720 -1.289 119 HG3 PRO 19 HG3 PRO 19 -0.887 -10.320 -2.236 120 HD2 PRO 19 HD2 PRO 19 -1.223 -9.307 0.202 121 HD3 PRO 19 HD3 PRO 19 -0.561 -8.308 -1.109 122 H LYS 20 H LYS 20 -4.922 -7.770 0.033 123 HA LYS 20 HA LYS 20 -7.303 -9.013 -1.123 124 HB2 LYS 20 HB2 LYS 20 -6.138 -10.727 0.266 125 HB3 LYS 20 HB3 LYS 20 -6.268 -9.655 1.650 126 HG2 LYS 20 HG2 LYS 20 -8.681 -9.807 1.585 127 HG3 LYS 20 HG3 LYS 20 -8.600 -10.800 0.129 128 HD2 LYS 20 HD2 LYS 20 -7.354 -11.570 2.763 129 HD3 LYS 20 HD3 LYS 20 -8.962 -12.079 2.250 130 HE2 LYS 20 HE2 LYS 20 -6.397 -12.651 0.764 131 HE3 LYS 20 HE3 LYS 20 -7.236 -13.789 1.814 132 HZ1 LYS 20 HZ1 LYS 20 -9.145 -13.687 0.338 133 HZ2 LYS 20 HZ2 LYS 20 -7.768 -14.176 -0.505 134 HZ3 LYS 20 HZ3 LYS 20 -8.341 -12.596 -0.673 135 H ILE 21 H ILE 21 -5.857 -6.432 0.203 136 HA ILE 21 HA ILE 21 -8.057 -5.552 1.911 137 HB ILE 21 HB ILE 21 -5.439 -4.190 1.266 138 HG12 ILE 21 HG12 ILE 21 -5.081 -6.264 2.509 139 HG13 ILE 21 HG13 ILE 21 -4.744 -4.868 3.526 140 HG21 ILE 21 HG21 ILE 21 -7.160 -2.597 1.911 141 HG22 ILE 21 HG22 ILE 21 -5.944 -2.742 3.180 142 HG23 ILE 21 HG23 ILE 21 -7.507 -3.538 3.362 143 HD11 ILE 21 HD11 ILE 21 -6.927 -5.124 4.589 144 HD12 ILE 21 HD12 ILE 21 -5.934 -6.572 4.757 145 HD13 ILE 21 HD13 ILE 21 -7.246 -6.535 3.580 146 H ARG 22 H ARG 22 -9.527 -4.070 1.300 147 HA ARG 22 HA ARG 22 -9.682 -3.153 -1.379 148 HB2 ARG 22 HB2 ARG 22 -11.638 -3.563 0.133 149 HB3 ARG 22 HB3 ARG 22 -11.169 -2.142 1.053 150 HG2 ARG 22 HG2 ARG 22 -11.619 -1.865 -1.864 151 HG3 ARG 22 HG3 ARG 22 -13.013 -2.019 -0.798 152 HD2 ARG 22 HD2 ARG 22 -10.818 0.026 -0.477 153 HD3 ARG 22 HD3 ARG 22 -12.370 0.333 -1.260 154 HE ARG 22 HE ARG 22 -12.204 -0.535 1.551 155 HH11 ARG 22 HH11 ARG 22 -13.331 1.700 -0.896 156 HH12 ARG 22 HH12 ARG 22 -14.322 2.599 0.205 157 HH21 ARG 22 HH21 ARG 22 -13.494 0.661 3.003 158 HH22 ARG 22 HH22 ARG 22 -14.401 2.021 2.423 159 H CYS 23 H CYS 23 -8.814 -1.392 -2.273 160 HA CYS 23 HA CYS 23 -7.340 0.434 -0.516 161 HB2 CYS 23 HB2 CYS 23 -6.212 -0.848 -2.435 162 HB3 CYS 23 HB3 CYS 23 -7.081 0.244 -3.510 163 H LEU 24 H LEU 24 -7.507 2.675 -0.760 164 HA LEU 24 HA LEU 24 -9.954 3.588 -2.079 165 HB2 LEU 24 HB2 LEU 24 -8.298 4.597 0.164 166 HB3 LEU 24 HB3 LEU 24 -9.077 5.802 -0.844 167 HG LEU 24 HG LEU 24 -10.396 5.222 1.165 168 HD11 LEU 24 HD11 LEU 24 -12.529 4.920 0.033 169 HD12 LEU 24 HD12 LEU 24 -11.693 4.410 -1.431 170 HD13 LEU 24 HD13 LEU 24 -11.508 6.060 -0.841 171 HD21 LEU 24 HD21 LEU 24 -9.758 2.876 1.361 172 HD22 LEU 24 HD22 LEU 24 -10.629 2.507 -0.123 173 HD23 LEU 24 HD23 LEU 24 -11.508 3.057 1.303 174 H GLU 25 H GLU 25 -6.591 4.767 -1.704 175 HA GLU 25 HA GLU 25 -6.691 5.425 -4.572 176 HB2 GLU 25 HB2 GLU 25 -6.856 7.487 -3.230 177 HB3 GLU 25 HB3 GLU 25 -5.357 7.072 -2.415 178 HG2 GLU 25 HG2 GLU 25 -4.144 7.250 -4.511 179 HG3 GLU 25 HG3 GLU 25 -5.648 7.606 -5.360 180 H GLU 26 H GLU 26 -5.402 3.986 -5.521 181 HA GLU 26 HA GLU 26 -3.280 2.696 -4.128 182 HB2 GLU 26 HB2 GLU 26 -3.989 2.700 -7.062 183 HB3 GLU 26 HB3 GLU 26 -2.731 1.707 -6.340 184 HG2 GLU 26 HG2 GLU 26 -4.398 0.598 -4.944 185 HG3 GLU 26 HG3 GLU 26 -5.662 1.586 -5.677 186 H GLN 27 H GLN 27 -1.281 3.259 -3.913 187 HA GLN 27 HA GLN 27 -0.153 5.363 -5.624 188 HB2 GLN 27 HB2 GLN 27 -0.149 6.628 -3.765 189 HB3 GLN 27 HB3 GLN 27 -0.601 5.270 -2.754 190 HG2 GLN 27 HG2 GLN 27 1.377 5.881 -1.819 191 HG3 GLN 27 HG3 GLN 27 1.924 4.663 -2.961 192 HE21 GLN 27 HE21 GLN 27 3.379 6.862 -1.780 193 HE22 GLN 27 HE22 GLN 27 3.955 7.826 -3.090 194 H LEU 28 H LEU 28 2.237 5.265 -5.754 195 HA LEU 28 HA LEU 28 3.041 2.453 -5.774 196 HB2 LEU 28 HB2 LEU 28 4.859 3.326 -7.366 197 HB3 LEU 28 HB3 LEU 28 3.224 3.123 -7.952 198 HG LEU 28 HG LEU 28 2.908 5.611 -7.579 199 HD11 LEU 28 HD11 LEU 28 5.913 5.536 -7.362 200 HD12 LEU 28 HD12 LEU 28 4.793 6.004 -6.082 201 HD13 LEU 28 HD13 LEU 28 4.924 6.984 -7.543 202 HD21 LEU 28 HD21 LEU 28 4.099 6.157 -9.664 203 HD22 LEU 28 HD22 LEU 28 3.182 4.652 -9.756 204 HD23 LEU 28 HD23 LEU 28 4.933 4.606 -9.553 205 H GLY 29 H GLY 29 4.954 1.778 -5.023 206 HA2 GLY 29 HA2 GLY 29 6.884 3.373 -3.728 207 HA3 GLY 29 HA3 GLY 29 5.699 2.820 -2.550 208 H LEU 30 H LEU 30 7.721 1.738 -1.711 209 HA LEU 30 HA LEU 30 7.987 -0.857 -3.033 210 HB2 LEU 30 HB2 LEU 30 10.008 0.548 -2.977 211 HB3 LEU 30 HB3 LEU 30 9.980 0.477 -1.240 212 HG LEU 30 HG LEU 30 9.988 -2.093 -2.721 213 HD11 LEU 30 HD11 LEU 30 12.436 -2.035 -2.836 214 HD12 LEU 30 HD12 LEU 30 12.412 -0.343 -2.343 215 HD13 LEU 30 HD13 LEU 30 11.698 -0.824 -3.883 216 HD21 LEU 30 HD21 LEU 30 11.294 -1.086 -0.211 217 HD22 LEU 30 HD22 LEU 30 11.246 -2.766 -0.761 218 HD23 LEU 30 HD23 LEU 30 9.753 -1.937 -0.300 219 H CYS 31 H CYS 31 6.856 -2.256 -2.080 220 HA CYS 31 HA CYS 31 6.872 -2.416 0.862 221 HB2 CYS 31 HB2 CYS 31 4.807 -3.507 -1.064 222 HB3 CYS 31 HB3 CYS 31 4.783 -3.708 0.684 223 HA PRO 32 HA PRO 32 9.019 -6.142 -0.272 224 HB2 PRO 32 HB2 PRO 32 10.230 -6.598 2.038 225 HB3 PRO 32 HB3 PRO 32 10.613 -5.138 1.118 226 HG2 PRO 32 HG2 PRO 32 8.904 -5.457 3.549 227 HG3 PRO 32 HG3 PRO 32 10.003 -4.129 3.118 228 HD2 PRO 32 HD2 PRO 32 7.200 -4.200 2.732 229 HD3 PRO 32 HD3 PRO 32 8.330 -3.013 2.049 230 H LEU 33 H LEU 33 7.251 -7.582 -0.601 231 HA LEU 33 HA LEU 33 7.133 -9.704 1.255 232 HB2 LEU 33 HB2 LEU 33 4.790 -7.839 1.210 233 HB3 LEU 33 HB3 LEU 33 4.522 -9.555 1.435 234 HG LEU 33 HG LEU 33 6.140 -7.739 3.220 235 HD11 LEU 33 HD11 LEU 33 3.748 -7.485 3.507 236 HD12 LEU 33 HD12 LEU 33 4.469 -8.285 4.903 237 HD13 LEU 33 HD13 LEU 33 3.575 -9.229 3.710 238 HD21 LEU 33 HD21 LEU 33 6.282 -9.772 4.678 239 HD22 LEU 33 HD22 LEU 33 7.267 -9.802 3.220 240 HD23 LEU 33 HD23 LEU 33 5.755 -10.712 3.280 241 H LYS 34 H LYS 34 4.324 -8.801 -0.689 242 HA LYS 34 HA LYS 34 5.148 -10.734 -2.724 243 HB2 LYS 34 HB2 LYS 34 2.515 -10.720 -1.253 244 HB3 LYS 34 HB3 LYS 34 2.859 -11.710 -2.668 245 HG2 LYS 34 HG2 LYS 34 4.799 -12.659 -1.319 246 HG3 LYS 34 HG3 LYS 34 4.046 -11.897 0.078 247 HD2 LYS 34 HD2 LYS 34 2.019 -13.172 -0.269 248 HD3 LYS 34 HD3 LYS 34 2.683 -13.881 -1.741 249 HE2 LYS 34 HE2 LYS 34 4.449 -14.946 -0.428 250 HE3 LYS 34 HE3 LYS 34 3.789 -14.234 1.042 251 HZ1 LYS 34 HZ1 LYS 34 2.371 -16.157 -0.721 252 HZ2 LYS 34 HZ2 LYS 34 1.761 -15.489 0.708 253 HZ3 LYS 34 HZ3 LYS 34 3.091 -16.532 0.761 254 H ARG 35 H ARG 35 1.969 -9.317 -2.286 255 HA ARG 35 HA ARG 35 2.346 -7.759 -4.735 256 HB2 ARG 35 HB2 ARG 35 0.098 -9.501 -3.861 257 HB3 ARG 35 HB3 ARG 35 -0.272 -8.075 -4.816 258 HG2 ARG 35 HG2 ARG 35 1.488 -8.953 -6.448 259 HG3 ARG 35 HG3 ARG 35 1.324 -10.478 -5.572 260 HD2 ARG 35 HD2 ARG 35 -0.149 -10.289 -7.583 261 HD3 ARG 35 HD3 ARG 35 -1.011 -10.599 -6.076 262 HE ARG 35 HE ARG 35 -0.820 -7.799 -6.703 263 HH11 ARG 35 HH11 ARG 35 -2.642 -10.731 -7.298 264 HH12 ARG 35 HH12 ARG 35 -4.100 -9.890 -7.724 265 HH21 ARG 35 HH21 ARG 35 -2.751 -6.695 -7.239 266 HH22 ARG 35 HH22 ARG 35 -4.165 -7.602 -7.675 267 H TRP 36 H TRP 36 2.838 -6.784 -2.145 268 HA TRP 36 HA TRP 36 0.458 -5.652 -1.060 269 HB2 TRP 36 HB2 TRP 36 3.368 -5.519 -0.354 270 HB3 TRP 36 HB3 TRP 36 2.180 -4.510 0.474 271 HD1 TRP 36 HD1 TRP 36 2.315 -8.314 -0.440 272 HE1 TRP 36 HE1 TRP 36 1.530 -9.621 1.634 273 HE3 TRP 36 HE3 TRP 36 1.428 -4.391 2.697 274 HZ2 TRP 36 HZ2 TRP 36 0.647 -9.045 4.262 275 HZ3 TRP 36 HZ3 TRP 36 0.614 -4.852 4.942 276 HH2 TRP 36 HH2 TRP 36 0.234 -7.119 5.715 277 H THR 37 H THR 37 -0.486 -3.904 -1.596 278 HA THR 37 HA THR 37 0.726 -2.089 -3.514 279 HB THR 37 HB THR 37 -2.086 -2.208 -2.395 280 HG1 THR 37 HG1 THR 37 -1.232 -3.998 -3.787 281 HG21 THR 37 HG21 THR 37 -1.585 0.020 -3.211 282 HG22 THR 37 HG22 THR 37 -2.680 -0.793 -4.331 283 HG23 THR 37 HG23 THR 37 -0.967 -0.646 -4.724 284 H CYS 38 H CYS 38 1.069 0.116 -3.126 285 HA CYS 38 HA CYS 38 1.227 0.884 -0.333 286 HB2 CYS 38 HB2 CYS 38 1.847 2.588 -2.746 287 HB3 CYS 38 HB3 CYS 38 2.487 2.743 -1.110 288 H CYS 39 H CYS 39 -0.905 1.086 0.314 289 HA CYS 39 HA CYS 39 -2.775 2.473 -1.396 290 HB2 CYS 39 HB2 CYS 39 -3.196 0.447 0.220 291 HB3 CYS 39 HB3 CYS 39 -3.414 1.724 1.406 292 H LYS 40 H LYS 40 -2.799 4.581 -1.431 293 HA LYS 40 HA LYS 40 -2.047 6.203 0.798 294 HB2 LYS 40 HB2 LYS 40 -1.850 7.091 -1.472 295 HB3 LYS 40 HB3 LYS 40 -3.584 6.928 -1.705 296 HG2 LYS 40 HG2 LYS 40 -3.011 9.233 -1.260 297 HG3 LYS 40 HG3 LYS 40 -3.969 8.582 0.070 298 HD2 LYS 40 HD2 LYS 40 -1.866 8.180 1.324 299 HD3 LYS 40 HD3 LYS 40 -0.976 8.960 0.016 300 HE2 LYS 40 HE2 LYS 40 -3.112 10.238 1.719 301 HE3 LYS 40 HE3 LYS 40 -1.376 10.500 1.871 302 HZ1 LYS 40 HZ1 LYS 40 -1.395 11.382 -0.412 303 HZ2 LYS 40 HZ2 LYS 40 -2.349 12.292 0.649 304 HZ3 LYS 40 HZ3 LYS 40 -3.081 11.232 -0.445 305 H GLU 41 H GLU 41 -3.215 5.501 2.504 306 HA GLU 41 HA GLU 41 -4.853 5.477 4.036 307 HB2 GLU 41 HB2 GLU 41 -6.358 7.277 2.139 308 HB3 GLU 41 HB3 GLU 41 -6.733 6.995 3.831 309 HG2 GLU 41 HG2 GLU 41 -4.229 8.291 2.783 310 HG3 GLU 41 HG3 GLU 41 -5.597 9.121 3.524 311 H ILE 42 H ILE 42 -6.963 4.615 4.526 312 HA ILE 42 HA ILE 42 -8.215 3.167 2.329 313 HB ILE 42 HB ILE 42 -8.579 1.185 3.768 314 HG12 ILE 42 HG12 ILE 42 -8.175 2.324 5.973 315 HG13 ILE 42 HG13 ILE 42 -7.336 0.796 5.783 316 HG21 ILE 42 HG21 ILE 42 -6.865 1.117 2.101 317 HG22 ILE 42 HG22 ILE 42 -6.306 0.263 3.540 318 HG23 ILE 42 HG23 ILE 42 -5.714 1.888 3.192 319 HD11 ILE 42 HD11 ILE 42 -5.258 2.003 5.325 320 HD12 ILE 42 HD12 ILE 42 -5.939 2.428 6.894 321 HD13 ILE 42 HD13 ILE 42 -6.110 3.532 5.532
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