NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
646532 | 6mzt | 30538 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.175 0.106 0.148 2 HA2 GLY 1 HA2 GLY 1 3.207 0.896 -1.817 3 HA3 GLY 1 HA3 GLY 1 3.013 -0.707 -1.127 4 H ASP 2 H ASP 2 0.636 1.433 -2.671 5 HA ASP 2 HA ASP 2 -0.707 -0.559 -4.051 6 HB2 ASP 2 HB2 ASP 2 -1.440 1.343 -5.587 7 HB3 ASP 2 HB3 ASP 2 -1.769 1.548 -3.868 8 H ILE 3 H ILE 3 -0.478 -1.554 -5.989 9 HA ILE 3 HA ILE 3 2.116 -1.373 -7.262 10 HB ILE 3 HB ILE 3 -0.242 -3.146 -7.911 11 HG12 ILE 3 HG12 ILE 3 1.553 -4.832 -6.899 12 HG13 ILE 3 HG13 ILE 3 2.076 -3.383 -6.049 13 HG21 ILE 3 HG21 ILE 3 2.563 -3.029 -8.969 14 HG22 ILE 3 HG22 ILE 3 1.602 -4.505 -9.044 15 HG23 ILE 3 HG23 ILE 3 1.045 -3.047 -9.864 16 HD11 ILE 3 HD11 ILE 3 0.471 -3.684 -4.566 17 HD12 ILE 3 HD12 ILE 3 -0.742 -3.546 -5.839 18 HD13 ILE 3 HD13 ILE 3 -0.066 -5.123 -5.433 19 H LYS 4 H LYS 4 2.562 -0.210 -9.008 20 HA LYS 4 HA LYS 4 0.605 1.417 -10.268 21 HB2 LYS 4 HB2 LYS 4 2.960 2.093 -10.064 22 HB3 LYS 4 HB3 LYS 4 3.433 0.777 -11.131 23 HG2 LYS 4 HG2 LYS 4 3.384 2.439 -12.659 24 HG3 LYS 4 HG3 LYS 4 1.680 1.981 -12.733 25 HD2 LYS 4 HD2 LYS 4 0.989 3.849 -11.593 26 HD3 LYS 4 HD3 LYS 4 2.521 4.022 -10.733 27 HE2 LYS 4 HE2 LYS 4 3.569 5.026 -12.558 28 HE3 LYS 4 HE3 LYS 4 2.363 4.430 -13.697 29 HZ1 LYS 4 HZ1 LYS 4 2.334 6.807 -12.057 30 HZ2 LYS 4 HZ2 LYS 4 0.877 5.948 -12.058 31 HZ3 LYS 4 HZ3 LYS 4 1.541 6.490 -13.516 32 H CYS 5 H CYS 5 -0.559 1.122 -12.078 33 HA CYS 5 HA CYS 5 0.156 -0.745 -14.117 34 HB2 CYS 5 HB2 CYS 5 -1.853 -2.200 -13.857 35 HB3 CYS 5 HB3 CYS 5 -0.683 -2.380 -12.553 36 H SER 6 H SER 6 -1.981 -1.090 -15.558 37 HA SER 6 HA SER 6 -3.296 1.539 -15.766 38 HB2 SER 6 HB2 SER 6 -1.444 0.913 -17.509 39 HB3 SER 6 HB3 SER 6 -2.704 -0.105 -18.205 40 HG SER 6 HG SER 6 -2.526 2.138 -19.004 41 H GLY 7 H GLY 7 -3.501 -1.839 -16.893 42 HA2 GLY 7 HA2 GLY 7 -6.403 -1.588 -17.114 43 HA3 GLY 7 HA3 GLY 7 -5.433 -2.954 -17.646 44 H THR 8 H THR 8 -7.452 -3.905 -16.501 45 HA THR 8 HA THR 8 -7.344 -3.956 -13.626 46 HB THR 8 HB THR 8 -8.891 -5.991 -15.168 47 HG1 THR 8 HG1 THR 8 -10.300 -4.528 -15.918 48 HG21 THR 8 HG21 THR 8 -8.817 -5.005 -12.515 49 HG22 THR 8 HG22 THR 8 -9.888 -6.232 -13.191 50 HG23 THR 8 HG23 THR 8 -10.369 -4.536 -13.208 51 H ARG 9 H ARG 9 -6.854 -6.404 -16.175 52 HA ARG 9 HA ARG 9 -6.063 -8.518 -14.589 53 HB2 ARG 9 HB2 ARG 9 -4.801 -9.322 -16.589 54 HB3 ARG 9 HB3 ARG 9 -6.457 -8.842 -16.935 55 HG2 ARG 9 HG2 ARG 9 -5.486 -6.593 -17.632 56 HG3 ARG 9 HG3 ARG 9 -3.917 -7.401 -17.610 57 HD2 ARG 9 HD2 ARG 9 -4.858 -9.104 -19.174 58 HD3 ARG 9 HD3 ARG 9 -6.318 -8.121 -19.284 59 HE ARG 9 HE ARG 9 -5.215 -6.752 -20.734 60 HH11 ARG 9 HH11 ARG 9 -2.864 -8.542 -18.895 61 HH12 ARG 9 HH12 ARG 9 -1.510 -7.937 -19.790 62 HH21 ARG 9 HH21 ARG 9 -3.441 -5.947 -21.920 63 HH22 ARG 9 HH22 ARG 9 -1.840 -6.459 -21.510 64 H GLN 10 H GLN 10 -4.081 -5.889 -15.898 65 HA GLN 10 HA GLN 10 -1.566 -6.751 -15.175 66 HB2 GLN 10 HB2 GLN 10 -2.798 -4.029 -15.396 67 HB3 GLN 10 HB3 GLN 10 -1.148 -4.196 -14.812 68 HG2 GLN 10 HG2 GLN 10 -1.959 -5.511 -17.363 69 HG3 GLN 10 HG3 GLN 10 -1.604 -3.785 -17.332 70 HE21 GLN 10 HE21 GLN 10 0.307 -3.606 -18.291 71 HE22 GLN 10 HE22 GLN 10 1.736 -4.472 -17.851 72 H CYS 11 H CYS 11 -4.110 -5.472 -13.161 73 HA CYS 11 HA CYS 11 -2.393 -5.142 -10.858 74 HB2 CYS 11 HB2 CYS 11 -4.264 -3.621 -11.121 75 HB3 CYS 11 HB3 CYS 11 -5.397 -4.969 -11.174 76 H TRP 12 H TRP 12 -4.787 -7.451 -12.024 77 HA TRP 12 HA TRP 12 -5.118 -9.006 -9.753 78 HB2 TRP 12 HB2 TRP 12 -5.051 -9.893 -12.646 79 HB3 TRP 12 HB3 TRP 12 -5.677 -10.856 -11.310 80 HD1 TRP 12 HD1 TRP 12 -6.802 -7.583 -10.421 81 HE1 TRP 12 HE1 TRP 12 -9.182 -7.097 -11.273 82 HE3 TRP 12 HE3 TRP 12 -7.220 -11.349 -13.854 83 HZ2 TRP 12 HZ2 TRP 12 -10.996 -8.170 -13.151 84 HZ3 TRP 12 HZ3 TRP 12 -9.310 -11.550 -15.136 85 HH2 TRP 12 HH2 TRP 12 -11.158 -9.992 -14.790 86 H GLY 13 H GLY 13 -2.556 -9.102 -12.186 87 HA2 GLY 13 HA2 GLY 13 -1.264 -11.442 -11.518 88 HA3 GLY 13 HA3 GLY 13 -0.441 -9.997 -12.088 89 HA PRO 14 HA PRO 14 1.452 -9.313 -8.198 90 HB2 PRO 14 HB2 PRO 14 1.025 -6.687 -7.657 91 HB3 PRO 14 HB3 PRO 14 2.126 -7.240 -8.924 92 HG2 PRO 14 HG2 PRO 14 -0.694 -6.261 -9.159 93 HG3 PRO 14 HG3 PRO 14 0.708 -5.889 -10.178 94 HD2 PRO 14 HD2 PRO 14 -1.176 -7.697 -10.894 95 HD3 PRO 14 HD3 PRO 14 0.529 -7.860 -11.361 96 H CYS 15 H CYS 15 -1.904 -8.346 -8.421 97 HA CYS 15 HA CYS 15 -2.362 -7.918 -5.661 98 HB2 CYS 15 HB2 CYS 15 -3.874 -7.094 -7.434 99 HB3 CYS 15 HB3 CYS 15 -4.326 -8.756 -7.804 100 H LYS 16 H LYS 16 -2.367 -10.768 -7.688 101 HA LYS 16 HA LYS 16 -3.640 -12.486 -5.798 102 HB2 LYS 16 HB2 LYS 16 -3.062 -12.686 -8.448 103 HB3 LYS 16 HB3 LYS 16 -1.800 -13.701 -7.761 104 HG2 LYS 16 HG2 LYS 16 -4.705 -14.040 -7.078 105 HG3 LYS 16 HG3 LYS 16 -3.933 -14.864 -8.434 106 HD2 LYS 16 HD2 LYS 16 -3.013 -15.044 -5.566 107 HD3 LYS 16 HD3 LYS 16 -4.037 -16.237 -6.368 108 HE2 LYS 16 HE2 LYS 16 -1.208 -15.477 -7.079 109 HE3 LYS 16 HE3 LYS 16 -1.767 -17.014 -6.422 110 HZ1 LYS 16 HZ1 LYS 16 -3.113 -17.261 -8.487 111 HZ2 LYS 16 HZ2 LYS 16 -1.441 -17.293 -8.740 112 HZ3 LYS 16 HZ3 LYS 16 -2.325 -15.900 -9.114 113 H LYS 17 H LYS 17 -0.284 -11.746 -6.615 114 HA LYS 17 HA LYS 17 0.982 -13.699 -5.080 115 HB2 LYS 17 HB2 LYS 17 1.938 -11.933 -6.754 116 HB3 LYS 17 HB3 LYS 17 2.121 -10.935 -5.318 117 HG2 LYS 17 HG2 LYS 17 4.188 -11.962 -5.545 118 HG3 LYS 17 HG3 LYS 17 3.374 -12.941 -4.324 119 HD2 LYS 17 HD2 LYS 17 2.630 -14.404 -6.316 120 HD3 LYS 17 HD3 LYS 17 3.912 -13.578 -7.205 121 HE2 LYS 17 HE2 LYS 17 5.498 -14.271 -5.404 122 HE3 LYS 17 HE3 LYS 17 4.198 -15.230 -4.700 123 HZ1 LYS 17 HZ1 LYS 17 4.057 -16.391 -6.893 124 HZ2 LYS 17 HZ2 LYS 17 5.485 -16.673 -6.033 125 HZ3 LYS 17 HZ3 LYS 17 5.485 -15.603 -7.343 126 H GLN 18 H GLN 18 -0.395 -10.605 -4.165 127 HA GLN 18 HA GLN 18 0.601 -10.857 -1.439 128 HB2 GLN 18 HB2 GLN 18 -0.852 -8.714 -2.957 129 HB3 GLN 18 HB3 GLN 18 -0.793 -8.674 -1.199 130 HG2 GLN 18 HG2 GLN 18 1.692 -8.759 -1.351 131 HG3 GLN 18 HG3 GLN 18 1.535 -8.594 -3.100 132 HE21 GLN 18 HE21 GLN 18 -0.444 -6.765 -3.355 133 HE22 GLN 18 HE22 GLN 18 0.046 -5.254 -2.675 134 H THR 19 H THR 19 -2.502 -10.754 -3.157 135 HA THR 19 HA THR 19 -3.706 -12.221 -0.918 136 HB THR 19 HB THR 19 -5.727 -10.878 -0.990 137 HG1 THR 19 HG1 THR 19 -4.347 -9.501 -3.056 138 HG21 THR 19 HG21 THR 19 -4.115 -10.111 0.593 139 HG22 THR 19 HG22 THR 19 -4.781 -8.683 -0.201 140 HG23 THR 19 HG23 THR 19 -3.188 -9.285 -0.660 141 H THR 20 H THR 20 -4.610 -14.025 -1.635 142 HA THR 20 HA THR 20 -4.738 -14.926 -4.198 143 HB THR 20 HB THR 20 -6.629 -16.429 -3.450 144 HG1 THR 20 HG1 THR 20 -7.030 -16.288 -1.125 145 HG21 THR 20 HG21 THR 20 -4.686 -16.640 -1.259 146 HG22 THR 20 HG22 THR 20 -3.965 -16.508 -2.864 147 HG23 THR 20 HG23 THR 20 -5.110 -17.803 -2.515 148 H CYS 21 H CYS 21 -7.082 -12.885 -2.562 149 HA CYS 21 HA CYS 21 -9.099 -13.055 -4.558 150 HB2 CYS 21 HB2 CYS 21 -8.565 -11.065 -2.352 151 HB3 CYS 21 HB3 CYS 21 -9.947 -10.935 -3.435 152 H THR 22 H THR 22 -8.243 -12.662 -6.575 153 HA THR 22 HA THR 22 -6.555 -10.480 -7.203 154 HB THR 22 HB THR 22 -7.551 -10.977 -9.605 155 HG1 THR 22 HG1 THR 22 -8.981 -12.524 -9.568 156 HG21 THR 22 HG21 THR 22 -5.780 -12.431 -9.959 157 HG22 THR 22 HG22 THR 22 -5.969 -13.205 -8.385 158 HG23 THR 22 HG23 THR 22 -5.274 -11.589 -8.496 159 H ASN 23 H ASN 23 -9.978 -10.778 -6.834 160 HA ASN 23 HA ASN 23 -11.015 -8.806 -8.428 161 HB2 ASN 23 HB2 ASN 23 -12.154 -10.359 -6.666 162 HB3 ASN 23 HB3 ASN 23 -11.906 -9.004 -5.569 163 HD21 ASN 23 HD21 ASN 23 -13.496 -7.605 -5.452 164 HD22 ASN 23 HD22 ASN 23 -14.693 -7.316 -6.664 165 H SER 24 H SER 24 -10.054 -6.895 -8.765 166 HA SER 24 HA SER 24 -9.891 -5.032 -6.545 167 HB2 SER 24 HB2 SER 24 -7.660 -6.128 -6.588 168 HB3 SER 24 HB3 SER 24 -7.458 -5.597 -8.256 169 HG SER 24 HG SER 24 -7.183 -3.575 -7.603 170 H LYS 25 H LYS 25 -9.040 -2.829 -7.458 171 HA LYS 25 HA LYS 25 -10.042 -2.429 -10.191 172 HB2 LYS 25 HB2 LYS 25 -11.518 -1.728 -8.001 173 HB3 LYS 25 HB3 LYS 25 -10.628 -0.242 -8.307 174 HG2 LYS 25 HG2 LYS 25 -11.436 -0.698 -10.784 175 HG3 LYS 25 HG3 LYS 25 -12.707 -1.586 -9.940 176 HD2 LYS 25 HD2 LYS 25 -12.885 0.571 -8.496 177 HD3 LYS 25 HD3 LYS 25 -12.052 1.333 -9.852 178 HE2 LYS 25 HE2 LYS 25 -14.477 -0.363 -10.311 179 HE3 LYS 25 HE3 LYS 25 -14.644 1.315 -9.796 180 HZ1 LYS 25 HZ1 LYS 25 -13.353 0.307 -12.268 181 HZ2 LYS 25 HZ2 LYS 25 -13.211 1.906 -11.736 182 HZ3 LYS 25 HZ3 LYS 25 -14.730 1.284 -12.147 183 H CYS 26 H CYS 26 -8.495 -1.542 -11.374 184 HA CYS 26 HA CYS 26 -6.303 -0.127 -10.101 185 HB2 CYS 26 HB2 CYS 26 -6.193 -1.865 -12.067 186 HB3 CYS 26 HB3 CYS 26 -6.553 -0.462 -13.067 187 H MET 27 H MET 27 -6.930 1.888 -9.506 188 HA MET 27 HA MET 27 -7.903 3.652 -11.654 189 HB2 MET 27 HB2 MET 27 -9.022 4.968 -9.796 190 HB3 MET 27 HB3 MET 27 -9.744 3.411 -10.185 191 HG2 MET 27 HG2 MET 27 -8.976 2.423 -8.233 192 HG3 MET 27 HG3 MET 27 -7.738 3.652 -7.983 193 HE1 MET 27 HE1 MET 27 -9.093 3.068 -5.403 194 HE2 MET 27 HE2 MET 27 -8.077 4.484 -5.671 195 HE3 MET 27 HE3 MET 27 -9.640 4.659 -4.874 196 H ASN 28 H ASN 28 -6.933 5.624 -11.864 197 HA ASN 28 HA ASN 28 -5.322 7.219 -11.688 198 HB2 ASN 28 HB2 ASN 28 -5.212 6.507 -8.753 199 HB3 ASN 28 HB3 ASN 28 -4.768 8.038 -9.500 200 HD21 ASN 28 HD21 ASN 28 -6.652 7.571 -7.376 201 HD22 ASN 28 HD22 ASN 28 -8.184 8.142 -7.935 202 H GLY 29 H GLY 29 -4.533 4.554 -12.365 203 HA2 GLY 29 HA2 GLY 29 -2.610 3.351 -12.712 204 HA3 GLY 29 HA3 GLY 29 -1.742 4.805 -12.243 205 H LYS 30 H LYS 30 -3.983 3.311 -10.049 206 HA LYS 30 HA LYS 30 -1.730 2.186 -8.522 207 HB2 LYS 30 HB2 LYS 30 -4.114 3.531 -7.256 208 HB3 LYS 30 HB3 LYS 30 -2.630 3.010 -6.470 209 HG2 LYS 30 HG2 LYS 30 -1.579 4.723 -8.215 210 HG3 LYS 30 HG3 LYS 30 -3.185 5.438 -8.063 211 HD2 LYS 30 HD2 LYS 30 -1.710 4.666 -5.589 212 HD3 LYS 30 HD3 LYS 30 -1.231 6.135 -6.445 213 HE2 LYS 30 HE2 LYS 30 -2.804 6.895 -4.907 214 HE3 LYS 30 HE3 LYS 30 -3.739 6.721 -6.392 215 HZ1 LYS 30 HZ1 LYS 30 -5.025 5.187 -5.459 216 HZ2 LYS 30 HZ2 LYS 30 -4.350 5.625 -3.972 217 HZ3 LYS 30 HZ3 LYS 30 -3.710 4.321 -4.839 218 H CYS 31 H CYS 31 -2.122 0.292 -7.399 219 HA CYS 31 HA CYS 31 -4.618 -1.079 -8.127 220 HB2 CYS 31 HB2 CYS 31 -2.678 -2.234 -8.955 221 HB3 CYS 31 HB3 CYS 31 -1.894 -2.153 -7.380 222 H LYS 32 H LYS 32 -6.095 -1.178 -6.582 223 HA LYS 32 HA LYS 32 -5.197 -1.335 -3.779 224 HB2 LYS 32 HB2 LYS 32 -6.377 0.715 -4.091 225 HB3 LYS 32 HB3 LYS 32 -7.661 -0.083 -4.991 226 HG2 LYS 32 HG2 LYS 32 -8.416 0.484 -2.768 227 HG3 LYS 32 HG3 LYS 32 -8.337 -1.269 -2.954 228 HD2 LYS 32 HD2 LYS 32 -7.415 -0.789 -0.827 229 HD3 LYS 32 HD3 LYS 32 -6.048 -1.149 -1.884 230 HE2 LYS 32 HE2 LYS 32 -5.267 0.747 -0.883 231 HE3 LYS 32 HE3 LYS 32 -6.104 1.465 -2.258 232 HZ1 LYS 32 HZ1 LYS 32 -6.720 2.656 -0.312 233 HZ2 LYS 32 HZ2 LYS 32 -7.106 1.238 0.524 234 HZ3 LYS 32 HZ3 LYS 32 -8.062 1.737 -0.779 235 H CYS 33 H CYS 33 -5.158 -3.517 -3.467 236 HA CYS 33 HA CYS 33 -7.027 -5.354 -4.480 237 HB2 CYS 33 HB2 CYS 33 -4.974 -5.409 -2.309 238 HB3 CYS 33 HB3 CYS 33 -6.151 -6.716 -2.387 239 H TYR 34 H TYR 34 -9.006 -5.942 -3.847 240 HA TYR 34 HA TYR 34 -10.328 -4.461 -1.781 241 HB2 TYR 34 HB2 TYR 34 -11.183 -6.651 -3.658 242 HB3 TYR 34 HB3 TYR 34 -12.247 -6.075 -2.381 243 HD1 TYR 34 HD1 TYR 34 -12.057 -5.894 -5.666 244 HD2 TYR 34 HD2 TYR 34 -11.810 -3.202 -2.381 245 HE1 TYR 34 HE1 TYR 34 -12.800 -4.057 -7.123 246 HE2 TYR 34 HE2 TYR 34 -12.554 -1.358 -3.829 247 HH TYR 34 HH TYR 34 -13.917 -1.154 -5.997 248 H GLY 35 H GLY 35 -9.054 -7.719 -2.132 249 HA2 GLY 35 HA2 GLY 35 -8.428 -9.192 -0.453 250 HA3 GLY 35 HA3 GLY 35 -9.061 -8.060 0.732 251 H CYS 36 H CYS 36 -9.483 -10.699 1.135 252 HA CYS 36 HA CYS 36 -12.081 -11.442 0.085 253 HB2 CYS 36 HB2 CYS 36 -10.385 -12.842 2.163 254 HB3 CYS 36 HB3 CYS 36 -11.773 -13.518 1.317 255 H VAL 37 H VAL 37 -13.887 -10.690 0.954 256 HA VAL 37 HA VAL 37 -13.975 -10.253 3.868 257 HB VAL 37 HB VAL 37 -15.453 -8.366 3.555 258 HG11 VAL 37 HG11 VAL 37 -12.807 -8.304 3.174 259 HG12 VAL 37 HG12 VAL 37 -13.333 -7.658 1.618 260 HG13 VAL 37 HG13 VAL 37 -13.818 -6.860 3.115 261 HG21 VAL 37 HG21 VAL 37 -16.739 -8.435 1.720 262 HG22 VAL 37 HG22 VAL 37 -15.387 -7.628 0.926 263 HG23 VAL 37 HG23 VAL 37 -15.558 -9.379 0.812 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.007 0.986 0.226 2 HA2 GLY 1 HA2 GLY 1 2.431 1.354 -1.555 3 HA3 GLY 1 HA3 GLY 1 3.090 -0.257 -1.304 4 H ASP 2 H ASP 2 0.295 1.465 -2.640 5 HA ASP 2 HA ASP 2 -0.894 -0.652 -3.994 6 HB2 ASP 2 HB2 ASP 2 -0.782 2.167 -5.064 7 HB3 ASP 2 HB3 ASP 2 -2.065 0.978 -5.274 8 H ILE 3 H ILE 3 -0.571 -1.647 -5.921 9 HA ILE 3 HA ILE 3 2.028 -1.342 -7.139 10 HB ILE 3 HB ILE 3 -0.254 -3.181 -7.875 11 HG12 ILE 3 HG12 ILE 3 1.566 -4.823 -6.839 12 HG13 ILE 3 HG13 ILE 3 2.024 -3.369 -5.959 13 HG21 ILE 3 HG21 ILE 3 1.108 -2.964 -9.788 14 HG22 ILE 3 HG22 ILE 3 2.588 -3.004 -8.833 15 HG23 ILE 3 HG23 ILE 3 1.614 -4.463 -9.010 16 HD11 ILE 3 HD11 ILE 3 -0.848 -3.943 -5.963 17 HD12 ILE 3 HD12 ILE 3 0.154 -5.141 -5.145 18 HD13 ILE 3 HD13 ILE 3 0.216 -3.450 -4.646 19 H LYS 4 H LYS 4 2.504 -0.293 -8.964 20 HA LYS 4 HA LYS 4 0.549 1.363 -10.219 21 HB2 LYS 4 HB2 LYS 4 2.862 2.100 -10.011 22 HB3 LYS 4 HB3 LYS 4 3.407 0.742 -10.988 23 HG2 LYS 4 HG2 LYS 4 2.044 1.661 -12.873 24 HG3 LYS 4 HG3 LYS 4 1.758 3.094 -11.881 25 HD2 LYS 4 HD2 LYS 4 3.982 3.752 -11.966 26 HD3 LYS 4 HD3 LYS 4 4.550 2.130 -12.368 27 HE2 LYS 4 HE2 LYS 4 3.505 2.337 -14.585 28 HE3 LYS 4 HE3 LYS 4 2.988 3.973 -14.177 29 HZ1 LYS 4 HZ1 LYS 4 4.944 4.719 -14.847 30 HZ2 LYS 4 HZ2 LYS 4 5.442 3.150 -15.235 31 HZ3 LYS 4 HZ3 LYS 4 5.736 3.773 -13.690 32 H CYS 5 H CYS 5 -0.594 1.056 -12.040 33 HA CYS 5 HA CYS 5 0.161 -0.853 -14.042 34 HB2 CYS 5 HB2 CYS 5 -1.981 -2.179 -13.818 35 HB3 CYS 5 HB3 CYS 5 -0.780 -2.467 -12.563 36 H SER 6 H SER 6 -2.009 -1.178 -15.502 37 HA SER 6 HA SER 6 -3.161 1.510 -15.851 38 HB2 SER 6 HB2 SER 6 -2.639 -0.277 -18.203 39 HB3 SER 6 HB3 SER 6 -2.793 1.479 -18.151 40 HG SER 6 HG SER 6 -0.589 0.377 -18.344 41 H GLY 7 H GLY 7 -3.551 -1.914 -16.762 42 HA2 GLY 7 HA2 GLY 7 -6.449 -1.486 -16.954 43 HA3 GLY 7 HA3 GLY 7 -5.571 -2.876 -17.577 44 H THR 8 H THR 8 -7.537 -3.834 -16.406 45 HA THR 8 HA THR 8 -7.399 -3.956 -13.540 46 HB THR 8 HB THR 8 -8.926 -5.999 -15.083 47 HG1 THR 8 HG1 THR 8 -9.668 -3.249 -14.921 48 HG21 THR 8 HG21 THR 8 -10.412 -4.513 -13.139 49 HG22 THR 8 HG22 THR 8 -8.867 -5.005 -12.442 50 HG23 THR 8 HG23 THR 8 -9.955 -6.215 -13.120 51 H ARG 9 H ARG 9 -6.886 -6.351 -16.135 52 HA ARG 9 HA ARG 9 -6.063 -8.484 -14.590 53 HB2 ARG 9 HB2 ARG 9 -4.798 -9.234 -16.609 54 HB3 ARG 9 HB3 ARG 9 -6.461 -8.769 -16.942 55 HG2 ARG 9 HG2 ARG 9 -5.544 -6.506 -17.620 56 HG3 ARG 9 HG3 ARG 9 -3.948 -7.259 -17.577 57 HD2 ARG 9 HD2 ARG 9 -6.172 -8.518 -19.131 58 HD3 ARG 9 HD3 ARG 9 -5.268 -7.167 -19.813 59 HE ARG 9 HE ARG 9 -3.427 -9.049 -18.893 60 HH11 ARG 9 HH11 ARG 9 -5.895 -8.759 -21.332 61 HH12 ARG 9 HH12 ARG 9 -5.125 -9.859 -22.427 62 HH21 ARG 9 HH21 ARG 9 -2.404 -10.499 -20.326 63 HH22 ARG 9 HH22 ARG 9 -3.140 -10.848 -21.854 64 H GLN 10 H GLN 10 -4.110 -5.819 -15.875 65 HA GLN 10 HA GLN 10 -1.587 -6.663 -15.162 66 HB2 GLN 10 HB2 GLN 10 -2.734 -3.869 -15.101 67 HB3 GLN 10 HB3 GLN 10 -1.019 -4.233 -14.965 68 HG2 GLN 10 HG2 GLN 10 -2.586 -5.231 -17.302 69 HG3 GLN 10 HG3 GLN 10 -2.012 -3.565 -17.256 70 HE21 GLN 10 HE21 GLN 10 -0.638 -3.898 -19.001 71 HE22 GLN 10 HE22 GLN 10 0.826 -4.806 -18.859 72 H CYS 11 H CYS 11 -4.137 -5.416 -13.131 73 HA CYS 11 HA CYS 11 -2.419 -5.104 -10.827 74 HB2 CYS 11 HB2 CYS 11 -4.309 -3.593 -11.101 75 HB3 CYS 11 HB3 CYS 11 -5.426 -4.954 -11.113 76 H TRP 12 H TRP 12 -4.801 -7.411 -12.018 77 HA TRP 12 HA TRP 12 -5.132 -8.988 -9.763 78 HB2 TRP 12 HB2 TRP 12 -5.051 -9.848 -12.663 79 HB3 TRP 12 HB3 TRP 12 -5.678 -10.826 -11.338 80 HD1 TRP 12 HD1 TRP 12 -6.820 -7.566 -10.424 81 HE1 TRP 12 HE1 TRP 12 -9.199 -7.082 -11.281 82 HE3 TRP 12 HE3 TRP 12 -7.208 -11.301 -13.893 83 HZ2 TRP 12 HZ2 TRP 12 -11.000 -8.143 -13.177 84 HZ3 TRP 12 HZ3 TRP 12 -9.292 -11.498 -15.186 85 HH2 TRP 12 HH2 TRP 12 -11.149 -9.951 -14.833 86 H GLY 13 H GLY 13 -2.563 -9.056 -12.193 87 HA2 GLY 13 HA2 GLY 13 -1.264 -11.394 -11.537 88 HA3 GLY 13 HA3 GLY 13 -0.445 -9.944 -12.097 89 HA PRO 14 HA PRO 14 1.438 -9.276 -8.198 90 HB2 PRO 14 HB2 PRO 14 0.996 -6.657 -7.638 91 HB3 PRO 14 HB3 PRO 14 2.102 -7.194 -8.908 92 HG2 PRO 14 HG2 PRO 14 -0.722 -6.229 -9.140 93 HG3 PRO 14 HG3 PRO 14 0.679 -5.842 -10.155 94 HD2 PRO 14 HD2 PRO 14 -1.195 -7.653 -10.888 95 HD3 PRO 14 HD3 PRO 14 0.512 -7.804 -11.352 96 H CYS 15 H CYS 15 -1.925 -8.341 -8.423 97 HA CYS 15 HA CYS 15 -2.394 -7.924 -5.663 98 HB2 CYS 15 HB2 CYS 15 -3.913 -7.110 -7.428 99 HB3 CYS 15 HB3 CYS 15 -4.339 -8.773 -7.819 100 H LYS 16 H LYS 16 -2.366 -10.769 -7.697 101 HA LYS 16 HA LYS 16 -3.624 -12.506 -5.815 102 HB2 LYS 16 HB2 LYS 16 -3.032 -12.692 -8.463 103 HB3 LYS 16 HB3 LYS 16 -1.766 -13.699 -7.773 104 HG2 LYS 16 HG2 LYS 16 -4.678 -14.058 -7.122 105 HG3 LYS 16 HG3 LYS 16 -3.875 -14.886 -8.457 106 HD2 LYS 16 HD2 LYS 16 -3.014 -15.038 -5.569 107 HD3 LYS 16 HD3 LYS 16 -3.999 -16.250 -6.391 108 HE2 LYS 16 HE2 LYS 16 -1.164 -15.451 -7.029 109 HE3 LYS 16 HE3 LYS 16 -1.720 -16.996 -6.388 110 HZ1 LYS 16 HZ1 LYS 16 -3.046 -17.194 -8.507 111 HZ2 LYS 16 HZ2 LYS 16 -1.368 -17.334 -8.667 112 HZ3 LYS 16 HZ3 LYS 16 -2.141 -15.894 -9.103 113 H LYS 17 H LYS 17 -0.275 -11.720 -6.616 114 HA LYS 17 HA LYS 17 1.009 -13.664 -5.084 115 HB2 LYS 17 HB2 LYS 17 1.960 -11.903 -6.751 116 HB3 LYS 17 HB3 LYS 17 2.105 -10.881 -5.327 117 HG2 LYS 17 HG2 LYS 17 4.197 -11.878 -5.541 118 HG3 LYS 17 HG3 LYS 17 3.396 -12.821 -4.283 119 HD2 LYS 17 HD2 LYS 17 2.879 -14.571 -5.848 120 HD3 LYS 17 HD3 LYS 17 3.482 -13.603 -7.194 121 HE2 LYS 17 HE2 LYS 17 5.728 -13.694 -6.291 122 HE3 LYS 17 HE3 LYS 17 5.150 -14.563 -4.871 123 HZ1 LYS 17 HZ1 LYS 17 4.265 -16.144 -6.822 124 HZ2 LYS 17 HZ2 LYS 17 5.766 -16.344 -6.070 125 HZ3 LYS 17 HZ3 LYS 17 5.665 -15.537 -7.554 126 H GLN 18 H GLN 18 -0.402 -10.587 -4.165 127 HA GLN 18 HA GLN 18 0.586 -10.837 -1.437 128 HB2 GLN 18 HB2 GLN 18 -0.822 -8.705 -2.991 129 HB3 GLN 18 HB3 GLN 18 -0.900 -8.675 -1.234 130 HG2 GLN 18 HG2 GLN 18 1.440 -8.435 -1.037 131 HG3 GLN 18 HG3 GLN 18 1.694 -8.822 -2.739 132 HE21 GLN 18 HE21 GLN 18 0.033 -6.478 -0.664 133 HE22 GLN 18 HE22 GLN 18 0.323 -5.111 -1.681 134 H THR 19 H THR 19 -2.512 -10.765 -3.163 135 HA THR 19 HA THR 19 -3.705 -12.253 -0.933 136 HB THR 19 HB THR 19 -5.683 -10.926 -0.884 137 HG1 THR 19 HG1 THR 19 -6.263 -9.903 -2.633 138 HG21 THR 19 HG21 THR 19 -4.850 -9.148 0.251 139 HG22 THR 19 HG22 THR 19 -3.778 -8.673 -1.066 140 HG23 THR 19 HG23 THR 19 -3.320 -9.991 0.010 141 H THR 20 H THR 20 -4.595 -14.063 -1.655 142 HA THR 20 HA THR 20 -4.702 -14.959 -4.221 143 HB THR 20 HB THR 20 -6.553 -16.499 -3.495 144 HG1 THR 20 HG1 THR 20 -7.723 -15.685 -1.922 145 HG21 THR 20 HG21 THR 20 -5.146 -17.809 -2.200 146 HG22 THR 20 HG22 THR 20 -4.476 -16.422 -1.342 147 HG23 THR 20 HG23 THR 20 -4.004 -16.739 -3.010 148 H CYS 21 H CYS 21 -7.071 -12.940 -2.591 149 HA CYS 21 HA CYS 21 -9.077 -13.125 -4.598 150 HB2 CYS 21 HB2 CYS 21 -8.569 -11.146 -2.377 151 HB3 CYS 21 HB3 CYS 21 -9.938 -11.004 -3.476 152 H THR 22 H THR 22 -8.251 -12.708 -6.615 153 HA THR 22 HA THR 22 -6.558 -10.530 -7.240 154 HB THR 22 HB THR 22 -7.532 -10.994 -9.637 155 HG1 THR 22 HG1 THR 22 -9.172 -12.351 -9.422 156 HG21 THR 22 HG21 THR 22 -6.147 -13.298 -9.454 157 HG22 THR 22 HG22 THR 22 -5.637 -12.515 -7.958 158 HG23 THR 22 HG23 THR 22 -5.386 -11.709 -9.505 159 H ASN 23 H ASN 23 -9.981 -10.818 -6.854 160 HA ASN 23 HA ASN 23 -11.017 -8.825 -8.423 161 HB2 ASN 23 HB2 ASN 23 -12.145 -10.397 -6.658 162 HB3 ASN 23 HB3 ASN 23 -11.908 -9.035 -5.568 163 HD21 ASN 23 HD21 ASN 23 -13.476 -7.606 -5.480 164 HD22 ASN 23 HD22 ASN 23 -14.684 -7.346 -6.688 165 H SER 24 H SER 24 -10.049 -6.913 -8.741 166 HA SER 24 HA SER 24 -9.869 -5.080 -6.498 167 HB2 SER 24 HB2 SER 24 -7.642 -6.167 -6.558 168 HB3 SER 24 HB3 SER 24 -7.452 -5.645 -8.232 169 HG SER 24 HG SER 24 -6.565 -4.296 -6.383 170 H LYS 25 H LYS 25 -9.063 -2.860 -7.364 171 HA LYS 25 HA LYS 25 -10.093 -2.423 -10.085 172 HB2 LYS 25 HB2 LYS 25 -10.994 -1.209 -7.532 173 HB3 LYS 25 HB3 LYS 25 -10.848 -0.125 -8.910 174 HG2 LYS 25 HG2 LYS 25 -12.382 -2.699 -9.070 175 HG3 LYS 25 HG3 LYS 25 -13.115 -1.199 -8.495 176 HD2 LYS 25 HD2 LYS 25 -12.187 -0.187 -10.690 177 HD3 LYS 25 HD3 LYS 25 -12.056 -1.866 -11.218 178 HE2 LYS 25 HE2 LYS 25 -14.608 -0.780 -10.074 179 HE3 LYS 25 HE3 LYS 25 -14.207 -0.568 -11.777 180 HZ1 LYS 25 HZ1 LYS 25 -15.368 -2.516 -11.843 181 HZ2 LYS 25 HZ2 LYS 25 -14.853 -3.025 -10.314 182 HZ3 LYS 25 HZ3 LYS 25 -13.804 -3.128 -11.636 183 H CYS 26 H CYS 26 -8.565 -1.544 -11.298 184 HA CYS 26 HA CYS 26 -6.355 -0.118 -10.046 185 HB2 CYS 26 HB2 CYS 26 -6.200 -1.937 -11.921 186 HB3 CYS 26 HB3 CYS 26 -6.580 -0.597 -12.997 187 H MET 27 H MET 27 -6.868 1.944 -9.587 188 HA MET 27 HA MET 27 -7.825 3.613 -11.813 189 HB2 MET 27 HB2 MET 27 -9.103 4.965 -10.170 190 HB3 MET 27 HB3 MET 27 -9.699 3.317 -10.319 191 HG2 MET 27 HG2 MET 27 -7.693 3.695 -8.222 192 HG3 MET 27 HG3 MET 27 -9.190 4.590 -7.978 193 HE1 MET 27 HE1 MET 27 -11.295 2.119 -6.279 194 HE2 MET 27 HE2 MET 27 -10.309 3.565 -6.064 195 HE3 MET 27 HE3 MET 27 -11.498 3.492 -7.367 196 H ASN 28 H ASN 28 -6.835 5.567 -12.062 197 HA ASN 28 HA ASN 28 -5.253 7.187 -11.861 198 HB2 ASN 28 HB2 ASN 28 -5.193 6.534 -8.911 199 HB3 ASN 28 HB3 ASN 28 -4.768 8.059 -9.684 200 HD21 ASN 28 HD21 ASN 28 -6.907 6.952 -7.710 201 HD22 ASN 28 HD22 ASN 28 -8.352 7.729 -8.252 202 H GLY 29 H GLY 29 -4.439 4.512 -12.469 203 HA2 GLY 29 HA2 GLY 29 -2.506 3.307 -12.745 204 HA3 GLY 29 HA3 GLY 29 -1.653 4.776 -12.290 205 H LYS 30 H LYS 30 -3.936 3.321 -10.111 206 HA LYS 30 HA LYS 30 -1.713 2.246 -8.509 207 HB2 LYS 30 HB2 LYS 30 -4.137 3.599 -7.332 208 HB3 LYS 30 HB3 LYS 30 -2.671 3.103 -6.497 209 HG2 LYS 30 HG2 LYS 30 -1.589 4.788 -8.254 210 HG3 LYS 30 HG3 LYS 30 -3.203 5.496 -8.150 211 HD2 LYS 30 HD2 LYS 30 -1.818 4.778 -5.618 212 HD3 LYS 30 HD3 LYS 30 -1.259 6.202 -6.496 213 HE2 LYS 30 HE2 LYS 30 -4.172 5.804 -5.931 214 HE3 LYS 30 HE3 LYS 30 -3.103 6.464 -4.694 215 HZ1 LYS 30 HZ1 LYS 30 -2.799 8.381 -5.846 216 HZ2 LYS 30 HZ2 LYS 30 -4.353 8.002 -6.400 217 HZ3 LYS 30 HZ3 LYS 30 -3.004 7.658 -7.362 218 H CYS 31 H CYS 31 -2.092 0.351 -7.405 219 HA CYS 31 HA CYS 31 -4.581 -1.038 -8.126 220 HB2 CYS 31 HB2 CYS 31 -2.630 -2.183 -8.945 221 HB3 CYS 31 HB3 CYS 31 -1.854 -2.094 -7.367 222 H LYS 32 H LYS 32 -6.054 -1.244 -6.589 223 HA LYS 32 HA LYS 32 -5.158 -1.366 -3.784 224 HB2 LYS 32 HB2 LYS 32 -6.313 0.701 -4.086 225 HB3 LYS 32 HB3 LYS 32 -7.611 -0.081 -4.980 226 HG2 LYS 32 HG2 LYS 32 -8.335 0.496 -2.744 227 HG3 LYS 32 HG3 LYS 32 -8.299 -1.257 -2.950 228 HD2 LYS 32 HD2 LYS 32 -7.358 -0.788 -0.816 229 HD3 LYS 32 HD3 LYS 32 -6.021 -1.231 -1.883 230 HE2 LYS 32 HE2 LYS 32 -5.308 0.660 -0.640 231 HE3 LYS 32 HE3 LYS 32 -5.661 1.228 -2.271 232 HZ1 LYS 32 HZ1 LYS 32 -7.990 1.696 -1.216 233 HZ2 LYS 32 HZ2 LYS 32 -6.722 2.800 -1.031 234 HZ3 LYS 32 HZ3 LYS 32 -7.108 1.736 0.227 235 H CYS 33 H CYS 33 -5.146 -3.550 -3.483 236 HA CYS 33 HA CYS 33 -7.034 -5.360 -4.508 237 HB2 CYS 33 HB2 CYS 33 -4.985 -5.448 -2.336 238 HB3 CYS 33 HB3 CYS 33 -6.179 -6.740 -2.416 239 H TYR 34 H TYR 34 -8.982 -6.039 -3.820 240 HA TYR 34 HA TYR 34 -10.299 -4.521 -1.754 241 HB2 TYR 34 HB2 TYR 34 -11.184 -6.647 -3.688 242 HB3 TYR 34 HB3 TYR 34 -12.238 -6.112 -2.385 243 HD1 TYR 34 HD1 TYR 34 -11.999 -5.798 -5.679 244 HD2 TYR 34 HD2 TYR 34 -11.855 -3.259 -2.269 245 HE1 TYR 34 HE1 TYR 34 -12.740 -3.907 -7.064 246 HE2 TYR 34 HE2 TYR 34 -12.598 -1.359 -3.644 247 HH TYR 34 HH TYR 34 -13.732 -0.910 -5.703 248 H GLY 35 H GLY 35 -9.073 -7.790 -2.173 249 HA2 GLY 35 HA2 GLY 35 -8.459 -9.297 -0.516 250 HA3 GLY 35 HA3 GLY 35 -9.100 -8.188 0.688 251 H CYS 36 H CYS 36 -9.566 -10.778 1.113 252 HA CYS 36 HA CYS 36 -12.137 -11.524 -0.015 253 HB2 CYS 36 HB2 CYS 36 -10.496 -12.937 2.096 254 HB3 CYS 36 HB3 CYS 36 -11.861 -13.605 1.207 255 H VAL 37 H VAL 37 -13.960 -10.775 0.821 256 HA VAL 37 HA VAL 37 -14.046 -10.159 3.702 257 HB VAL 37 HB VAL 37 -15.964 -8.644 3.117 258 HG11 VAL 37 HG11 VAL 37 -13.511 -7.974 3.428 259 HG12 VAL 37 HG12 VAL 37 -13.471 -7.805 1.671 260 HG13 VAL 37 HG13 VAL 37 -14.581 -6.822 2.627 261 HG21 VAL 37 HG21 VAL 37 -16.747 -8.443 1.037 262 HG22 VAL 37 HG22 VAL 37 -15.127 -8.314 0.352 263 HG23 VAL 37 HG23 VAL 37 -15.829 -9.901 0.664 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.031 0.377 -2.731 2 HA2 GLY 1 HA2 GLY 1 2.505 -0.952 -0.858 3 HA3 GLY 1 HA3 GLY 1 1.855 0.680 -0.909 4 H ASP 2 H ASP 2 0.569 1.292 -2.581 5 HA ASP 2 HA ASP 2 -0.813 -0.617 -4.040 6 HB2 ASP 2 HB2 ASP 2 -1.427 1.405 -5.536 7 HB3 ASP 2 HB3 ASP 2 -1.887 1.449 -3.836 8 H ILE 3 H ILE 3 -0.498 -1.656 -5.915 9 HA ILE 3 HA ILE 3 2.062 -1.389 -7.224 10 HB ILE 3 HB ILE 3 -0.261 -3.209 -7.868 11 HG12 ILE 3 HG12 ILE 3 1.581 -4.861 -6.881 12 HG13 ILE 3 HG13 ILE 3 2.071 -3.405 -6.021 13 HG21 ILE 3 HG21 ILE 3 2.539 -3.034 -8.938 14 HG22 ILE 3 HG22 ILE 3 1.593 -4.518 -9.030 15 HG23 ILE 3 HG23 ILE 3 1.017 -3.056 -9.829 16 HD11 ILE 3 HD11 ILE 3 0.380 -5.049 -4.946 17 HD12 ILE 3 HD12 ILE 3 0.123 -3.310 -4.808 18 HD13 ILE 3 HD13 ILE 3 -0.789 -4.244 -5.994 19 H LYS 4 H LYS 4 2.468 -0.184 -8.949 20 HA LYS 4 HA LYS 4 0.448 1.382 -10.196 21 HB2 LYS 4 HB2 LYS 4 2.713 2.226 -9.996 22 HB3 LYS 4 HB3 LYS 4 3.333 0.887 -10.954 23 HG2 LYS 4 HG2 LYS 4 2.020 1.715 -12.881 24 HG3 LYS 4 HG3 LYS 4 1.536 3.106 -11.908 25 HD2 LYS 4 HD2 LYS 4 3.622 4.050 -11.973 26 HD3 LYS 4 HD3 LYS 4 4.439 2.495 -12.143 27 HE2 LYS 4 HE2 LYS 4 4.721 3.357 -14.250 28 HE3 LYS 4 HE3 LYS 4 3.218 2.459 -14.462 29 HZ1 LYS 4 HZ1 LYS 4 2.249 4.332 -15.082 30 HZ2 LYS 4 HZ2 LYS 4 3.676 5.202 -14.829 31 HZ3 LYS 4 HZ3 LYS 4 2.562 5.019 -13.569 32 H CYS 5 H CYS 5 -0.600 1.133 -12.104 33 HA CYS 5 HA CYS 5 0.196 -0.744 -14.101 34 HB2 CYS 5 HB2 CYS 5 -1.841 -2.187 -13.922 35 HB3 CYS 5 HB3 CYS 5 -0.705 -2.386 -12.591 36 H SER 6 H SER 6 -1.941 -1.116 -15.587 37 HA SER 6 HA SER 6 -3.192 1.535 -15.892 38 HB2 SER 6 HB2 SER 6 -1.369 1.033 -17.580 39 HB3 SER 6 HB3 SER 6 -2.399 -0.261 -18.191 40 HG SER 6 HG SER 6 -2.546 1.909 -19.222 41 H GLY 7 H GLY 7 -3.451 -1.883 -16.873 42 HA2 GLY 7 HA2 GLY 7 -6.350 -1.565 -17.140 43 HA3 GLY 7 HA3 GLY 7 -5.407 -2.948 -17.675 44 H THR 8 H THR 8 -7.422 -3.885 -16.535 45 HA THR 8 HA THR 8 -7.332 -3.926 -13.659 46 HB THR 8 HB THR 8 -8.882 -5.947 -15.225 47 HG1 THR 8 HG1 THR 8 -9.333 -3.150 -15.158 48 HG21 THR 8 HG21 THR 8 -8.804 -5.005 -12.552 49 HG22 THR 8 HG22 THR 8 -9.865 -6.230 -13.248 50 HG23 THR 8 HG23 THR 8 -10.359 -4.537 -13.236 51 H ARG 9 H ARG 9 -6.851 -6.394 -16.190 52 HA ARG 9 HA ARG 9 -6.073 -8.501 -14.589 53 HB2 ARG 9 HB2 ARG 9 -4.836 -9.342 -16.575 54 HB3 ARG 9 HB3 ARG 9 -6.471 -8.813 -16.947 55 HG2 ARG 9 HG2 ARG 9 -5.271 -6.556 -17.529 56 HG3 ARG 9 HG3 ARG 9 -3.864 -7.605 -17.713 57 HD2 ARG 9 HD2 ARG 9 -4.696 -7.684 -19.841 58 HD3 ARG 9 HD3 ARG 9 -5.555 -9.048 -19.128 59 HE ARG 9 HE ARG 9 -7.052 -6.662 -18.836 60 HH11 ARG 9 HH11 ARG 9 -6.114 -9.049 -21.190 61 HH12 ARG 9 HH12 ARG 9 -7.517 -8.816 -22.178 62 HH21 ARG 9 HH21 ARG 9 -8.904 -6.345 -20.130 63 HH22 ARG 9 HH22 ARG 9 -9.103 -7.276 -21.575 64 H GLN 10 H GLN 10 -4.081 -5.882 -15.899 65 HA GLN 10 HA GLN 10 -1.568 -6.754 -15.179 66 HB2 GLN 10 HB2 GLN 10 -2.810 -4.056 -15.473 67 HB3 GLN 10 HB3 GLN 10 -1.203 -4.164 -14.768 68 HG2 GLN 10 HG2 GLN 10 -1.777 -5.557 -17.340 69 HG3 GLN 10 HG3 GLN 10 -1.499 -3.816 -17.327 70 HE21 GLN 10 HE21 GLN 10 0.471 -3.266 -15.815 71 HE22 GLN 10 HE22 GLN 10 1.897 -4.177 -16.159 72 H CYS 11 H CYS 11 -4.108 -5.470 -13.163 73 HA CYS 11 HA CYS 11 -2.392 -5.145 -10.860 74 HB2 CYS 11 HB2 CYS 11 -4.261 -3.622 -11.125 75 HB3 CYS 11 HB3 CYS 11 -5.395 -4.968 -11.173 76 H TRP 12 H TRP 12 -4.793 -7.448 -12.025 77 HA TRP 12 HA TRP 12 -5.125 -9.004 -9.756 78 HB2 TRP 12 HB2 TRP 12 -5.064 -9.886 -12.649 79 HB3 TRP 12 HB3 TRP 12 -5.688 -10.852 -11.316 80 HD1 TRP 12 HD1 TRP 12 -6.806 -7.577 -10.420 81 HE1 TRP 12 HE1 TRP 12 -9.187 -7.088 -11.266 82 HE3 TRP 12 HE3 TRP 12 -7.238 -11.340 -13.854 83 HZ2 TRP 12 HZ2 TRP 12 -11.008 -8.155 -13.140 84 HZ3 TRP 12 HZ3 TRP 12 -9.332 -11.537 -15.131 85 HH2 TRP 12 HH2 TRP 12 -11.177 -9.977 -14.780 86 H GLY 13 H GLY 13 -2.565 -9.104 -12.191 87 HA2 GLY 13 HA2 GLY 13 -1.278 -11.448 -11.527 88 HA3 GLY 13 HA3 GLY 13 -0.452 -10.005 -12.097 89 HA PRO 14 HA PRO 14 1.446 -9.331 -8.207 90 HB2 PRO 14 HB2 PRO 14 1.027 -6.704 -7.663 91 HB3 PRO 14 HB3 PRO 14 2.126 -7.259 -8.931 92 HG2 PRO 14 HG2 PRO 14 -0.690 -6.271 -9.163 93 HG3 PRO 14 HG3 PRO 14 0.712 -5.903 -10.183 94 HD2 PRO 14 HD2 PRO 14 -1.179 -7.703 -10.901 95 HD3 PRO 14 HD3 PRO 14 0.525 -7.871 -11.367 96 H CYS 15 H CYS 15 -1.908 -8.356 -8.428 97 HA CYS 15 HA CYS 15 -2.365 -7.924 -5.668 98 HB2 CYS 15 HB2 CYS 15 -3.877 -7.102 -7.439 99 HB3 CYS 15 HB3 CYS 15 -4.329 -8.762 -7.811 100 H LYS 16 H LYS 16 -2.370 -10.778 -7.690 101 HA LYS 16 HA LYS 16 -3.642 -12.492 -5.797 102 HB2 LYS 16 HB2 LYS 16 -3.068 -12.697 -8.445 103 HB3 LYS 16 HB3 LYS 16 -1.805 -13.710 -7.760 104 HG2 LYS 16 HG2 LYS 16 -4.709 -14.049 -7.069 105 HG3 LYS 16 HG3 LYS 16 -3.941 -14.873 -8.429 106 HD2 LYS 16 HD2 LYS 16 -3.012 -15.056 -5.564 107 HD3 LYS 16 HD3 LYS 16 -4.038 -16.248 -6.363 108 HE2 LYS 16 HE2 LYS 16 -2.146 -16.316 -8.134 109 HE3 LYS 16 HE3 LYS 16 -1.165 -15.571 -6.872 110 HZ1 LYS 16 HZ1 LYS 16 -1.698 -18.254 -7.191 111 HZ2 LYS 16 HZ2 LYS 16 -2.616 -17.786 -5.851 112 HZ3 LYS 16 HZ3 LYS 16 -0.946 -17.519 -5.865 113 H LYS 17 H LYS 17 -0.287 -11.758 -6.619 114 HA LYS 17 HA LYS 17 0.978 -13.708 -5.079 115 HB2 LYS 17 HB2 LYS 17 1.928 -11.937 -6.760 116 HB3 LYS 17 HB3 LYS 17 2.129 -10.952 -5.317 117 HG2 LYS 17 HG2 LYS 17 4.184 -11.976 -5.520 118 HG3 LYS 17 HG3 LYS 17 3.353 -13.018 -4.363 119 HD2 LYS 17 HD2 LYS 17 2.686 -14.461 -6.323 120 HD3 LYS 17 HD3 LYS 17 3.797 -13.502 -7.304 121 HE2 LYS 17 HE2 LYS 17 5.669 -14.233 -6.083 122 HE3 LYS 17 HE3 LYS 17 4.673 -14.850 -4.765 123 HZ1 LYS 17 HZ1 LYS 17 4.099 -16.065 -7.307 124 HZ2 LYS 17 HZ2 LYS 17 4.380 -16.786 -5.803 125 HZ3 LYS 17 HZ3 LYS 17 5.684 -16.335 -6.782 126 H GLN 18 H GLN 18 -0.389 -10.606 -4.173 127 HA GLN 18 HA GLN 18 0.609 -10.852 -1.448 128 HB2 GLN 18 HB2 GLN 18 -0.762 -8.711 -3.018 129 HB3 GLN 18 HB3 GLN 18 -0.865 -8.670 -1.263 130 HG2 GLN 18 HG2 GLN 18 1.712 -8.774 -2.811 131 HG3 GLN 18 HG3 GLN 18 0.968 -7.297 -2.202 132 HE21 GLN 18 HE21 GLN 18 0.895 -6.935 0.030 133 HE22 GLN 18 HE22 GLN 18 1.937 -7.778 1.119 134 H THR 19 H THR 19 -2.495 -10.756 -3.162 135 HA THR 19 HA THR 19 -3.697 -12.210 -0.913 136 HB THR 19 HB THR 19 -5.723 -10.869 -1.001 137 HG1 THR 19 HG1 THR 19 -4.363 -9.623 -3.137 138 HG21 THR 19 HG21 THR 19 -3.184 -9.279 -0.655 139 HG22 THR 19 HG22 THR 19 -4.119 -10.104 0.591 140 HG23 THR 19 HG23 THR 19 -4.778 -8.675 -0.206 141 H THR 20 H THR 20 -4.595 -14.020 -1.621 142 HA THR 20 HA THR 20 -4.726 -14.935 -4.178 143 HB THR 20 HB THR 20 -6.824 -16.278 -3.294 144 HG1 THR 20 HG1 THR 20 -6.890 -16.292 -1.026 145 HG21 THR 20 HG21 THR 20 -5.268 -17.779 -2.057 146 HG22 THR 20 HG22 THR 20 -4.028 -16.531 -2.185 147 HG23 THR 20 HG23 THR 20 -4.666 -17.293 -3.641 148 H CYS 21 H CYS 21 -7.074 -12.893 -2.546 149 HA CYS 21 HA CYS 21 -9.088 -13.077 -4.546 150 HB2 CYS 21 HB2 CYS 21 -8.569 -11.116 -2.316 151 HB3 CYS 21 HB3 CYS 21 -9.928 -10.938 -3.421 152 H THR 22 H THR 22 -8.241 -12.670 -6.563 153 HA THR 22 HA THR 22 -6.558 -10.484 -7.185 154 HB THR 22 HB THR 22 -7.557 -10.972 -9.587 155 HG1 THR 22 HG1 THR 22 -8.049 -13.476 -8.371 156 HG21 THR 22 HG21 THR 22 -5.787 -12.430 -9.949 157 HG22 THR 22 HG22 THR 22 -5.964 -13.197 -8.371 158 HG23 THR 22 HG23 THR 22 -5.276 -11.579 -8.493 159 H ASN 23 H ASN 23 -9.975 -10.782 -6.794 160 HA ASN 23 HA ASN 23 -11.029 -8.817 -8.383 161 HB2 ASN 23 HB2 ASN 23 -12.139 -10.364 -6.588 162 HB3 ASN 23 HB3 ASN 23 -11.895 -8.987 -5.518 163 HD21 ASN 23 HD21 ASN 23 -13.357 -7.421 -5.527 164 HD22 ASN 23 HD22 ASN 23 -14.618 -7.234 -6.693 165 H SER 24 H SER 24 -10.075 -6.907 -8.741 166 HA SER 24 HA SER 24 -9.887 -5.033 -6.531 167 HB2 SER 24 HB2 SER 24 -7.655 -6.143 -6.611 168 HB3 SER 24 HB3 SER 24 -7.472 -5.583 -8.274 169 HG SER 24 HG SER 24 -7.994 -3.807 -6.136 170 H LYS 25 H LYS 25 -9.021 -2.838 -7.477 171 HA LYS 25 HA LYS 25 -10.048 -2.450 -10.200 172 HB2 LYS 25 HB2 LYS 25 -11.002 -1.164 -7.685 173 HB3 LYS 25 HB3 LYS 25 -10.930 -0.177 -9.138 174 HG2 LYS 25 HG2 LYS 25 -12.236 -2.159 -10.213 175 HG3 LYS 25 HG3 LYS 25 -12.641 -2.543 -8.538 176 HD2 LYS 25 HD2 LYS 25 -13.352 -0.095 -8.339 177 HD3 LYS 25 HD3 LYS 25 -13.285 -0.058 -10.102 178 HE2 LYS 25 HE2 LYS 25 -15.019 -1.803 -8.363 179 HE3 LYS 25 HE3 LYS 25 -15.540 -0.519 -9.453 180 HZ1 LYS 25 HZ1 LYS 25 -14.351 -3.132 -10.203 181 HZ2 LYS 25 HZ2 LYS 25 -14.612 -1.872 -11.301 182 HZ3 LYS 25 HZ3 LYS 25 -15.925 -2.595 -10.516 183 H CYS 26 H CYS 26 -8.508 -1.548 -11.382 184 HA CYS 26 HA CYS 26 -6.324 -0.121 -10.113 185 HB2 CYS 26 HB2 CYS 26 -6.206 -1.835 -12.093 186 HB3 CYS 26 HB3 CYS 26 -6.604 -0.434 -13.081 187 H MET 27 H MET 27 -6.877 1.901 -9.518 188 HA MET 27 HA MET 27 -7.915 3.675 -11.627 189 HB2 MET 27 HB2 MET 27 -9.054 4.963 -9.802 190 HB3 MET 27 HB3 MET 27 -9.716 3.358 -10.085 191 HG2 MET 27 HG2 MET 27 -8.255 2.571 -8.173 192 HG3 MET 27 HG3 MET 27 -7.982 4.276 -7.817 193 HE1 MET 27 HE1 MET 27 -10.302 4.475 -5.104 194 HE2 MET 27 HE2 MET 27 -9.492 2.912 -5.168 195 HE3 MET 27 HE3 MET 27 -8.645 4.365 -5.699 196 H ASN 28 H ASN 28 -6.953 5.650 -11.835 197 HA ASN 28 HA ASN 28 -5.333 7.239 -11.679 198 HB2 ASN 28 HB2 ASN 28 -5.202 6.532 -8.744 199 HB3 ASN 28 HB3 ASN 28 -4.765 8.063 -9.497 200 HD21 ASN 28 HD21 ASN 28 -6.985 6.719 -7.621 201 HD22 ASN 28 HD22 ASN 28 -8.385 7.627 -8.067 202 H GLY 29 H GLY 29 -4.549 4.576 -12.360 203 HA2 GLY 29 HA2 GLY 29 -2.627 3.373 -12.720 204 HA3 GLY 29 HA3 GLY 29 -1.756 4.827 -12.255 205 H LYS 30 H LYS 30 -3.983 3.332 -10.048 206 HA LYS 30 HA LYS 30 -1.722 2.206 -8.535 207 HB2 LYS 30 HB2 LYS 30 -4.098 3.553 -7.254 208 HB3 LYS 30 HB3 LYS 30 -2.609 3.030 -6.478 209 HG2 LYS 30 HG2 LYS 30 -1.567 4.743 -8.229 210 HG3 LYS 30 HG3 LYS 30 -3.173 5.459 -8.067 211 HD2 LYS 30 HD2 LYS 30 -2.743 5.206 -5.516 212 HD3 LYS 30 HD3 LYS 30 -1.047 5.077 -5.992 213 HE2 LYS 30 HE2 LYS 30 -2.825 7.336 -6.880 214 HE3 LYS 30 HE3 LYS 30 -1.881 7.395 -5.392 215 HZ1 LYS 30 HZ1 LYS 30 0.078 6.816 -6.920 216 HZ2 LYS 30 HZ2 LYS 30 -0.513 8.401 -6.942 217 HZ3 LYS 30 HZ3 LYS 30 -0.926 7.327 -8.182 218 H CYS 31 H CYS 31 -2.106 0.310 -7.414 219 HA CYS 31 HA CYS 31 -4.609 -1.058 -8.123 220 HB2 CYS 31 HB2 CYS 31 -2.675 -2.212 -8.967 221 HB3 CYS 31 HB3 CYS 31 -1.881 -2.134 -7.398 222 H LYS 32 H LYS 32 -6.074 -1.194 -6.570 223 HA LYS 32 HA LYS 32 -5.156 -1.344 -3.774 224 HB2 LYS 32 HB2 LYS 32 -6.335 0.709 -4.070 225 HB3 LYS 32 HB3 LYS 32 -7.626 -0.085 -4.963 226 HG2 LYS 32 HG2 LYS 32 -8.288 0.522 -2.680 227 HG3 LYS 32 HG3 LYS 32 -8.366 -1.219 -2.965 228 HD2 LYS 32 HD2 LYS 32 -6.681 -1.665 -1.513 229 HD3 LYS 32 HD3 LYS 32 -5.816 -0.175 -1.894 230 HE2 LYS 32 HE2 LYS 32 -7.863 0.937 -0.676 231 HE3 LYS 32 HE3 LYS 32 -8.015 -0.657 0.062 232 HZ1 LYS 32 HZ1 LYS 32 -5.763 1.246 0.249 233 HZ2 LYS 32 HZ2 LYS 32 -5.556 -0.394 0.602 234 HZ3 LYS 32 HZ3 LYS 32 -6.649 0.532 1.501 235 H CYS 33 H CYS 33 -5.116 -3.527 -3.469 236 HA CYS 33 HA CYS 33 -6.994 -5.359 -4.473 237 HB2 CYS 33 HB2 CYS 33 -4.906 -5.413 -2.345 238 HB3 CYS 33 HB3 CYS 33 -6.102 -6.705 -2.358 239 H TYR 34 H TYR 34 -8.977 -5.926 -3.839 240 HA TYR 34 HA TYR 34 -10.257 -4.467 -1.724 241 HB2 TYR 34 HB2 TYR 34 -11.194 -6.593 -3.644 242 HB3 TYR 34 HB3 TYR 34 -12.233 -5.961 -2.371 243 HD1 TYR 34 HD1 TYR 34 -12.110 -5.804 -5.632 244 HD2 TYR 34 HD2 TYR 34 -11.556 -3.103 -2.391 245 HE1 TYR 34 HE1 TYR 34 -12.750 -3.931 -7.091 246 HE2 TYR 34 HE2 TYR 34 -12.195 -1.222 -3.842 247 HH TYR 34 HH TYR 34 -12.973 -0.618 -5.839 248 H GLY 35 H GLY 35 -9.067 -7.740 -2.203 249 HA2 GLY 35 HA2 GLY 35 -8.463 -9.283 -0.577 250 HA3 GLY 35 HA3 GLY 35 -9.084 -8.188 0.649 251 H CYS 36 H CYS 36 -9.628 -10.686 1.160 252 HA CYS 36 HA CYS 36 -12.185 -11.437 -0.015 253 HB2 CYS 36 HB2 CYS 36 -10.570 -12.845 2.121 254 HB3 CYS 36 HB3 CYS 36 -11.946 -13.506 1.244 255 H VAL 37 H VAL 37 -14.022 -10.709 0.804 256 HA VAL 37 HA VAL 37 -14.148 -10.131 3.693 257 HB VAL 37 HB VAL 37 -15.875 -8.426 3.159 258 HG11 VAL 37 HG11 VAL 37 -14.322 -6.789 2.961 259 HG12 VAL 37 HG12 VAL 37 -13.213 -8.137 3.220 260 HG13 VAL 37 HG13 VAL 37 -13.529 -7.554 1.585 261 HG21 VAL 37 HG21 VAL 37 -15.722 -9.605 0.591 262 HG22 VAL 37 HG22 VAL 37 -16.769 -8.292 1.130 263 HG23 VAL 37 HG23 VAL 37 -15.187 -7.931 0.439 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.825 -2.793 -1.541 2 HA2 GLY 1 HA2 GLY 1 1.219 -1.040 -0.541 3 HA3 GLY 1 HA3 GLY 1 2.357 0.098 -1.249 4 H ASP 2 H ASP 2 0.379 0.834 -2.372 5 HA ASP 2 HA ASP 2 -1.100 -0.642 -4.175 6 HB2 ASP 2 HB2 ASP 2 -1.243 1.620 -5.449 7 HB3 ASP 2 HB3 ASP 2 -1.889 1.521 -3.813 8 H ILE 3 H ILE 3 -0.647 -1.671 -6.002 9 HA ILE 3 HA ILE 3 1.995 -1.410 -7.172 10 HB ILE 3 HB ILE 3 -0.286 -3.233 -7.946 11 HG12 ILE 3 HG12 ILE 3 1.478 -4.900 -6.872 12 HG13 ILE 3 HG13 ILE 3 1.959 -3.455 -5.990 13 HG21 ILE 3 HG21 ILE 3 2.577 -3.066 -8.842 14 HG22 ILE 3 HG22 ILE 3 1.608 -4.527 -9.033 15 HG23 ILE 3 HG23 ILE 3 1.115 -3.032 -9.827 16 HD11 ILE 3 HD11 ILE 3 -0.133 -3.264 -4.954 17 HD12 ILE 3 HD12 ILE 3 -0.886 -4.394 -6.081 18 HD13 ILE 3 HD13 ILE 3 0.269 -4.980 -4.883 19 H LYS 4 H LYS 4 2.474 -0.281 -8.939 20 HA LYS 4 HA LYS 4 0.533 1.367 -10.203 21 HB2 LYS 4 HB2 LYS 4 2.873 2.056 -9.974 22 HB3 LYS 4 HB3 LYS 4 3.376 0.730 -11.016 23 HG2 LYS 4 HG2 LYS 4 2.410 1.715 -12.917 24 HG3 LYS 4 HG3 LYS 4 1.478 2.860 -11.948 25 HD2 LYS 4 HD2 LYS 4 3.294 4.214 -11.557 26 HD3 LYS 4 HD3 LYS 4 4.454 2.897 -11.752 27 HE2 LYS 4 HE2 LYS 4 3.860 2.875 -14.193 28 HE3 LYS 4 HE3 LYS 4 2.935 4.349 -13.912 29 HZ1 LYS 4 HZ1 LYS 4 5.750 4.014 -14.224 30 HZ2 LYS 4 HZ2 LYS 4 5.384 4.842 -12.797 31 HZ3 LYS 4 HZ3 LYS 4 4.824 5.428 -14.281 32 H CYS 5 H CYS 5 -0.503 1.169 -12.128 33 HA CYS 5 HA CYS 5 0.200 -0.689 -14.146 34 HB2 CYS 5 HB2 CYS 5 -1.743 -2.207 -13.938 35 HB3 CYS 5 HB3 CYS 5 -0.640 -2.344 -12.573 36 H SER 6 H SER 6 -2.005 -1.068 -15.548 37 HA SER 6 HA SER 6 -3.327 1.556 -15.735 38 HB2 SER 6 HB2 SER 6 -1.549 1.287 -17.473 39 HB3 SER 6 HB3 SER 6 -2.426 -0.111 -18.095 40 HG SER 6 HG SER 6 -3.352 2.569 -17.964 41 H GLY 7 H GLY 7 -3.471 -1.821 -16.871 42 HA2 GLY 7 HA2 GLY 7 -6.372 -1.611 -17.137 43 HA3 GLY 7 HA3 GLY 7 -5.374 -2.963 -17.654 44 H THR 8 H THR 8 -7.431 -3.898 -16.521 45 HA THR 8 HA THR 8 -7.330 -3.965 -13.647 46 HB THR 8 HB THR 8 -8.881 -5.976 -15.226 47 HG1 THR 8 HG1 THR 8 -10.411 -4.448 -15.752 48 HG21 THR 8 HG21 THR 8 -10.357 -4.584 -13.222 49 HG22 THR 8 HG22 THR 8 -8.798 -5.054 -12.545 50 HG23 THR 8 HG23 THR 8 -9.858 -6.276 -13.248 51 H ARG 9 H ARG 9 -6.853 -6.414 -16.198 52 HA ARG 9 HA ARG 9 -6.069 -8.533 -14.616 53 HB2 ARG 9 HB2 ARG 9 -4.825 -9.349 -16.614 54 HB3 ARG 9 HB3 ARG 9 -6.469 -8.837 -16.969 55 HG2 ARG 9 HG2 ARG 9 -5.491 -6.624 -17.691 56 HG3 ARG 9 HG3 ARG 9 -3.908 -7.399 -17.591 57 HD2 ARG 9 HD2 ARG 9 -4.931 -9.203 -19.113 58 HD3 ARG 9 HD3 ARG 9 -6.198 -8.018 -19.427 59 HE ARG 9 HE ARG 9 -3.890 -6.655 -19.891 60 HH11 ARG 9 HH11 ARG 9 -5.241 -9.637 -21.073 61 HH12 ARG 9 HH12 ARG 9 -4.476 -9.521 -22.623 62 HH21 ARG 9 HH21 ARG 9 -2.878 -6.490 -21.928 63 HH22 ARG 9 HH22 ARG 9 -3.131 -7.731 -23.108 64 H GLN 10 H GLN 10 -4.074 -5.914 -15.926 65 HA GLN 10 HA GLN 10 -1.563 -6.790 -15.201 66 HB2 GLN 10 HB2 GLN 10 -2.540 -3.937 -15.012 67 HB3 GLN 10 HB3 GLN 10 -0.875 -4.464 -15.205 68 HG2 GLN 10 HG2 GLN 10 -2.157 -5.645 -17.332 69 HG3 GLN 10 HG3 GLN 10 -2.954 -4.079 -17.192 70 HE21 GLN 10 HE21 GLN 10 -0.937 -2.472 -16.345 71 HE22 GLN 10 HE22 GLN 10 0.295 -2.377 -17.553 72 H CYS 11 H CYS 11 -4.102 -5.494 -13.192 73 HA CYS 11 HA CYS 11 -2.387 -5.163 -10.888 74 HB2 CYS 11 HB2 CYS 11 -4.252 -3.637 -11.155 75 HB3 CYS 11 HB3 CYS 11 -5.389 -4.981 -11.210 76 H TRP 12 H TRP 12 -4.789 -7.468 -12.046 77 HA TRP 12 HA TRP 12 -5.124 -9.015 -9.773 78 HB2 TRP 12 HB2 TRP 12 -5.058 -9.910 -12.662 79 HB3 TRP 12 HB3 TRP 12 -5.687 -10.869 -11.325 80 HD1 TRP 12 HD1 TRP 12 -6.804 -7.590 -10.446 81 HE1 TRP 12 HE1 TRP 12 -9.183 -7.102 -11.298 82 HE3 TRP 12 HE3 TRP 12 -7.231 -11.368 -13.864 83 HZ2 TRP 12 HZ2 TRP 12 -11.001 -8.178 -13.171 84 HZ3 TRP 12 HZ3 TRP 12 -9.322 -11.568 -15.144 85 HH2 TRP 12 HH2 TRP 12 -11.168 -10.006 -14.803 86 H GLY 13 H GLY 13 -2.561 -9.128 -12.205 87 HA2 GLY 13 HA2 GLY 13 -1.276 -11.469 -11.528 88 HA3 GLY 13 HA3 GLY 13 -0.449 -10.028 -12.104 89 HA PRO 14 HA PRO 14 1.446 -9.339 -8.215 90 HB2 PRO 14 HB2 PRO 14 1.028 -6.709 -7.683 91 HB3 PRO 14 HB3 PRO 14 2.128 -7.271 -8.947 92 HG2 PRO 14 HG2 PRO 14 -0.687 -6.282 -9.186 93 HG3 PRO 14 HG3 PRO 14 0.716 -5.919 -10.207 94 HD2 PRO 14 HD2 PRO 14 -1.176 -7.721 -10.919 95 HD3 PRO 14 HD3 PRO 14 0.530 -7.893 -11.383 96 H CYS 15 H CYS 15 -1.907 -8.363 -8.444 97 HA CYS 15 HA CYS 15 -2.368 -7.916 -5.688 98 HB2 CYS 15 HB2 CYS 15 -3.881 -7.107 -7.464 99 HB3 CYS 15 HB3 CYS 15 -4.328 -8.770 -7.830 100 H LYS 16 H LYS 16 -2.366 -10.783 -7.690 101 HA LYS 16 HA LYS 16 -3.640 -12.488 -5.789 102 HB2 LYS 16 HB2 LYS 16 -3.058 -12.710 -8.435 103 HB3 LYS 16 HB3 LYS 16 -1.794 -13.714 -7.738 104 HG2 LYS 16 HG2 LYS 16 -4.697 -14.058 -7.053 105 HG3 LYS 16 HG3 LYS 16 -3.923 -14.889 -8.405 106 HD2 LYS 16 HD2 LYS 16 -3.002 -15.046 -5.535 107 HD3 LYS 16 HD3 LYS 16 -4.021 -16.249 -6.331 108 HE2 LYS 16 HE2 LYS 16 -2.126 -16.329 -8.093 109 HE3 LYS 16 HE3 LYS 16 -1.150 -15.563 -6.840 110 HZ1 LYS 16 HZ1 LYS 16 -2.627 -17.815 -5.868 111 HZ2 LYS 16 HZ2 LYS 16 -0.976 -17.469 -5.733 112 HZ3 LYS 16 HZ3 LYS 16 -1.570 -18.234 -7.121 113 H LYS 17 H LYS 17 -0.282 -11.754 -6.608 114 HA LYS 17 HA LYS 17 0.981 -13.690 -5.050 115 HB2 LYS 17 HB2 LYS 17 1.940 -11.944 -6.740 116 HB3 LYS 17 HB3 LYS 17 2.118 -10.928 -5.316 117 HG2 LYS 17 HG2 LYS 17 4.188 -11.959 -5.536 118 HG3 LYS 17 HG3 LYS 17 3.374 -12.909 -4.291 119 HD2 LYS 17 HD2 LYS 17 2.633 -14.433 -6.219 120 HD3 LYS 17 HD3 LYS 17 3.873 -13.611 -7.168 121 HE2 LYS 17 HE2 LYS 17 5.404 -14.194 -5.135 122 HE3 LYS 17 HE3 LYS 17 4.171 -15.407 -4.798 123 HZ1 LYS 17 HZ1 LYS 17 4.568 -16.465 -6.835 124 HZ2 LYS 17 HZ2 LYS 17 6.107 -16.126 -6.221 125 HZ3 LYS 17 HZ3 LYS 17 5.457 -15.165 -7.452 126 H GLN 18 H GLN 18 -0.393 -10.583 -4.169 127 HA GLN 18 HA GLN 18 0.598 -10.807 -1.441 128 HB2 GLN 18 HB2 GLN 18 -0.931 -8.685 -2.930 129 HB3 GLN 18 HB3 GLN 18 -0.721 -8.620 -1.185 130 HG2 GLN 18 HG2 GLN 18 1.585 -8.829 -3.095 131 HG3 GLN 18 HG3 GLN 18 0.913 -7.289 -2.565 132 HE21 GLN 18 HE21 GLN 18 0.906 -6.867 -0.253 133 HE22 GLN 18 HE22 GLN 18 2.176 -7.516 0.724 134 H THR 19 H THR 19 -2.503 -10.731 -3.164 135 HA THR 19 HA THR 19 -3.707 -12.172 -0.908 136 HB THR 19 HB THR 19 -5.682 -10.828 -0.898 137 HG1 THR 19 HG1 THR 19 -6.228 -9.776 -2.642 138 HG21 THR 19 HG21 THR 19 -3.791 -8.578 -1.056 139 HG22 THR 19 HG22 THR 19 -3.288 -9.908 -0.014 140 HG23 THR 19 HG23 THR 19 -4.827 -9.098 0.272 141 H THR 20 H THR 20 -4.600 -13.989 -1.605 142 HA THR 20 HA THR 20 -4.722 -14.921 -4.157 143 HB THR 20 HB THR 20 -6.333 -16.571 -3.448 144 HG1 THR 20 HG1 THR 20 -6.901 -14.664 -1.434 145 HG21 THR 20 HG21 THR 20 -4.776 -15.988 -0.950 146 HG22 THR 20 HG22 THR 20 -3.954 -16.467 -2.435 147 HG23 THR 20 HG23 THR 20 -5.140 -17.543 -1.696 148 H CYS 21 H CYS 21 -7.078 -12.873 -2.545 149 HA CYS 21 HA CYS 21 -9.086 -13.075 -4.551 150 HB2 CYS 21 HB2 CYS 21 -8.580 -11.114 -2.318 151 HB3 CYS 21 HB3 CYS 21 -9.924 -10.921 -3.437 152 H THR 22 H THR 22 -8.244 -12.671 -6.567 153 HA THR 22 HA THR 22 -6.559 -10.488 -7.197 154 HB THR 22 HB THR 22 -7.559 -10.982 -9.597 155 HG1 THR 22 HG1 THR 22 -9.063 -12.464 -9.469 156 HG21 THR 22 HG21 THR 22 -5.811 -12.489 -9.950 157 HG22 THR 22 HG22 THR 22 -5.959 -13.186 -8.337 158 HG23 THR 22 HG23 THR 22 -5.275 -11.574 -8.542 159 H ASN 23 H ASN 23 -9.975 -10.780 -6.802 160 HA ASN 23 HA ASN 23 -11.027 -8.818 -8.396 161 HB2 ASN 23 HB2 ASN 23 -12.145 -10.359 -6.605 162 HB3 ASN 23 HB3 ASN 23 -11.891 -8.989 -5.528 163 HD21 ASN 23 HD21 ASN 23 -13.469 -7.573 -5.426 164 HD22 ASN 23 HD22 ASN 23 -14.684 -7.311 -6.627 165 H SER 24 H SER 24 -10.068 -6.910 -8.756 166 HA SER 24 HA SER 24 -9.878 -5.033 -6.550 167 HB2 SER 24 HB2 SER 24 -7.647 -6.148 -6.632 168 HB3 SER 24 HB3 SER 24 -7.465 -5.584 -8.294 169 HG SER 24 HG SER 24 -7.987 -3.810 -6.155 170 H LYS 25 H LYS 25 -9.011 -2.840 -7.499 171 HA LYS 25 HA LYS 25 -10.034 -2.453 -10.223 172 HB2 LYS 25 HB2 LYS 25 -11.025 -1.210 -7.712 173 HB3 LYS 25 HB3 LYS 25 -10.899 -0.170 -9.123 174 HG2 LYS 25 HG2 LYS 25 -12.282 -2.802 -9.354 175 HG3 LYS 25 HG3 LYS 25 -13.115 -1.432 -8.617 176 HD2 LYS 25 HD2 LYS 25 -12.322 -0.156 -10.745 177 HD3 LYS 25 HD3 LYS 25 -12.142 -1.775 -11.425 178 HE2 LYS 25 HE2 LYS 25 -14.575 -2.075 -10.449 179 HE3 LYS 25 HE3 LYS 25 -14.601 -0.317 -10.592 180 HZ1 LYS 25 HZ1 LYS 25 -13.889 -0.645 -12.953 181 HZ2 LYS 25 HZ2 LYS 25 -15.450 -1.192 -12.599 182 HZ3 LYS 25 HZ3 LYS 25 -14.181 -2.300 -12.756 183 H CYS 26 H CYS 26 -8.493 -1.549 -11.402 184 HA CYS 26 HA CYS 26 -6.314 -0.121 -10.128 185 HB2 CYS 26 HB2 CYS 26 -6.210 -1.831 -12.123 186 HB3 CYS 26 HB3 CYS 26 -6.577 -0.412 -13.096 187 H MET 27 H MET 27 -6.874 1.900 -9.530 188 HA MET 27 HA MET 27 -7.890 3.680 -11.642 189 HB2 MET 27 HB2 MET 27 -9.122 4.933 -9.896 190 HB3 MET 27 HB3 MET 27 -9.704 3.286 -10.091 191 HG2 MET 27 HG2 MET 27 -8.621 2.579 -8.098 192 HG3 MET 27 HG3 MET 27 -7.753 4.107 -7.959 193 HE1 MET 27 HE1 MET 27 -9.483 2.293 -6.135 194 HE2 MET 27 HE2 MET 27 -10.564 3.309 -5.181 195 HE3 MET 27 HE3 MET 27 -11.198 2.378 -6.541 196 H ASN 28 H ASN 28 -6.931 5.660 -11.817 197 HA ASN 28 HA ASN 28 -5.341 7.271 -11.599 198 HB2 ASN 28 HB2 ASN 28 -6.505 7.382 -9.298 199 HB3 ASN 28 HB3 ASN 28 -5.084 6.536 -8.690 200 HD21 ASN 28 HD21 ASN 28 -3.556 7.784 -7.919 201 HD22 ASN 28 HD22 ASN 28 -3.242 9.419 -8.379 202 H GLY 29 H GLY 29 -4.535 4.624 -12.338 203 HA2 GLY 29 HA2 GLY 29 -2.605 3.441 -12.718 204 HA3 GLY 29 HA3 GLY 29 -1.745 4.896 -12.233 205 H LYS 30 H LYS 30 -3.954 3.346 -10.044 206 HA LYS 30 HA LYS 30 -1.684 2.195 -8.565 207 HB2 LYS 30 HB2 LYS 30 -4.027 3.574 -7.253 208 HB3 LYS 30 HB3 LYS 30 -2.555 2.996 -6.482 209 HG2 LYS 30 HG2 LYS 30 -1.480 4.709 -8.233 210 HG3 LYS 30 HG3 LYS 30 -3.055 5.473 -8.006 211 HD2 LYS 30 HD2 LYS 30 -2.009 6.454 -6.258 212 HD3 LYS 30 HD3 LYS 30 -2.422 4.944 -5.444 213 HE2 LYS 30 HE2 LYS 30 -0.209 4.044 -6.060 214 HE3 LYS 30 HE3 LYS 30 0.196 5.594 -6.796 215 HZ1 LYS 30 HZ1 LYS 30 1.098 5.417 -4.566 216 HZ2 LYS 30 HZ2 LYS 30 -0.447 5.155 -3.930 217 HZ3 LYS 30 HZ3 LYS 30 -0.065 6.645 -4.634 218 H CYS 31 H CYS 31 -2.084 0.301 -7.437 219 HA CYS 31 HA CYS 31 -4.603 -1.039 -8.144 220 HB2 CYS 31 HB2 CYS 31 -2.685 -2.211 -8.997 221 HB3 CYS 31 HB3 CYS 31 -1.883 -2.145 -7.432 222 H LYS 32 H LYS 32 -6.064 -1.194 -6.590 223 HA LYS 32 HA LYS 32 -5.140 -1.342 -3.795 224 HB2 LYS 32 HB2 LYS 32 -6.325 0.709 -4.092 225 HB3 LYS 32 HB3 LYS 32 -7.617 -0.090 -4.978 226 HG2 LYS 32 HG2 LYS 32 -8.272 0.518 -2.693 227 HG3 LYS 32 HG3 LYS 32 -8.346 -1.223 -2.975 228 HD2 LYS 32 HD2 LYS 32 -6.630 -1.662 -1.550 229 HD3 LYS 32 HD3 LYS 32 -5.804 -0.143 -1.903 230 HE2 LYS 32 HE2 LYS 32 -8.358 -0.300 -0.317 231 HE3 LYS 32 HE3 LYS 32 -6.761 -0.373 0.424 232 HZ1 LYS 32 HZ1 LYS 32 -6.519 1.807 -1.086 233 HZ2 LYS 32 HZ2 LYS 32 -7.027 1.842 0.527 234 HZ3 LYS 32 HZ3 LYS 32 -8.169 1.888 -0.721 235 H CYS 33 H CYS 33 -5.097 -3.525 -3.490 236 HA CYS 33 HA CYS 33 -6.972 -5.361 -4.492 237 HB2 CYS 33 HB2 CYS 33 -4.850 -5.406 -2.410 238 HB3 CYS 33 HB3 CYS 33 -6.066 -6.677 -2.340 239 H TYR 34 H TYR 34 -8.948 -5.944 -3.847 240 HA TYR 34 HA TYR 34 -10.224 -4.487 -1.724 241 HB2 TYR 34 HB2 TYR 34 -11.167 -6.599 -3.656 242 HB3 TYR 34 HB3 TYR 34 -12.202 -5.981 -2.374 243 HD1 TYR 34 HD1 TYR 34 -12.085 -5.794 -5.637 244 HD2 TYR 34 HD2 TYR 34 -11.533 -3.121 -2.372 245 HE1 TYR 34 HE1 TYR 34 -12.732 -3.910 -7.078 246 HE2 TYR 34 HE2 TYR 34 -12.181 -1.229 -3.805 247 HH TYR 34 HH TYR 34 -13.788 -1.204 -6.205 248 H GLY 35 H GLY 35 -9.038 -7.758 -2.226 249 HA2 GLY 35 HA2 GLY 35 -8.444 -9.323 -0.621 250 HA3 GLY 35 HA3 GLY 35 -9.027 -8.223 0.620 251 H CYS 36 H CYS 36 -9.598 -10.717 1.129 252 HA CYS 36 HA CYS 36 -12.187 -11.425 -0.002 253 HB2 CYS 36 HB2 CYS 36 -10.545 -12.864 2.091 254 HB3 CYS 36 HB3 CYS 36 -11.956 -13.501 1.255 255 H VAL 37 H VAL 37 -13.985 -10.635 0.846 256 HA VAL 37 HA VAL 37 -14.079 -10.152 3.753 257 HB VAL 37 HB VAL 37 -15.725 -8.325 3.259 258 HG11 VAL 37 HG11 VAL 37 -12.954 -7.952 2.127 259 HG12 VAL 37 HG12 VAL 37 -14.028 -6.669 2.685 260 HG13 VAL 37 HG13 VAL 37 -13.394 -7.850 3.831 261 HG21 VAL 37 HG21 VAL 37 -16.430 -7.895 1.193 262 HG22 VAL 37 HG22 VAL 37 -14.778 -7.801 0.584 263 HG23 VAL 37 HG23 VAL 37 -15.597 -9.360 0.673 Start of MODEL 5 1 H1 GLY 1 H GLY 1 4.560 -0.115 -1.568 2 HA2 GLY 1 HA2 GLY 1 2.475 0.107 -0.536 3 HA3 GLY 1 HA3 GLY 1 2.273 1.659 -1.335 4 H ASP 2 H ASP 2 1.164 1.777 -3.229 5 HA ASP 2 HA ASP 2 -0.349 -0.575 -3.979 6 HB2 ASP 2 HB2 ASP 2 -0.440 2.264 -5.022 7 HB3 ASP 2 HB3 ASP 2 -1.557 0.983 -5.483 8 H ILE 3 H ILE 3 -0.320 -1.593 -5.966 9 HA ILE 3 HA ILE 3 2.188 -1.455 -7.384 10 HB ILE 3 HB ILE 3 -0.239 -3.163 -7.946 11 HG12 ILE 3 HG12 ILE 3 1.507 -4.900 -6.944 12 HG13 ILE 3 HG13 ILE 3 2.106 -3.462 -6.124 13 HG21 ILE 3 HG21 ILE 3 1.616 -4.589 -9.054 14 HG22 ILE 3 HG22 ILE 3 0.972 -3.196 -9.920 15 HG23 ILE 3 HG23 ILE 3 2.524 -3.078 -9.089 16 HD11 ILE 3 HD11 ILE 3 0.191 -5.061 -5.141 17 HD12 ILE 3 HD12 ILE 3 0.329 -3.345 -4.757 18 HD13 ILE 3 HD13 ILE 3 -0.801 -3.883 -5.999 19 H LYS 4 H LYS 4 2.580 -0.264 -9.121 20 HA LYS 4 HA LYS 4 0.564 1.349 -10.325 21 HB2 LYS 4 HB2 LYS 4 2.901 2.087 -10.139 22 HB3 LYS 4 HB3 LYS 4 3.400 0.794 -11.221 23 HG2 LYS 4 HG2 LYS 4 1.793 1.859 -12.913 24 HG3 LYS 4 HG3 LYS 4 1.829 3.265 -11.846 25 HD2 LYS 4 HD2 LYS 4 4.121 3.607 -12.189 26 HD3 LYS 4 HD3 LYS 4 4.358 1.981 -12.833 27 HE2 LYS 4 HE2 LYS 4 2.772 4.171 -14.173 28 HE3 LYS 4 HE3 LYS 4 4.429 3.723 -14.580 29 HZ1 LYS 4 HZ1 LYS 4 3.531 1.435 -15.019 30 HZ2 LYS 4 HZ2 LYS 4 3.043 2.629 -16.114 31 HZ3 LYS 4 HZ3 LYS 4 1.977 2.096 -14.914 32 H CYS 5 H CYS 5 -0.533 1.107 -12.202 33 HA CYS 5 HA CYS 5 0.190 -0.778 -14.216 34 HB2 CYS 5 HB2 CYS 5 -1.862 -2.197 -13.985 35 HB3 CYS 5 HB3 CYS 5 -0.687 -2.415 -12.692 36 H SER 6 H SER 6 -1.949 -1.115 -15.676 37 HA SER 6 HA SER 6 -3.184 1.547 -15.947 38 HB2 SER 6 HB2 SER 6 -3.153 1.181 -18.411 39 HB3 SER 6 HB3 SER 6 -1.537 1.262 -17.710 40 HG SER 6 HG SER 6 -2.764 -0.789 -19.015 41 H GLY 7 H GLY 7 -3.533 -1.871 -16.900 42 HA2 GLY 7 HA2 GLY 7 -6.432 -1.501 -17.078 43 HA3 GLY 7 HA3 GLY 7 -5.531 -2.901 -17.641 44 H THR 8 H THR 8 -7.519 -3.810 -16.438 45 HA THR 8 HA THR 8 -7.345 -3.846 -13.566 46 HB THR 8 HB THR 8 -8.961 -5.865 -15.058 47 HG1 THR 8 HG1 THR 8 -10.562 -4.236 -15.406 48 HG21 THR 8 HG21 THR 8 -10.373 -4.374 -13.076 49 HG22 THR 8 HG22 THR 8 -8.811 -4.857 -12.415 50 HG23 THR 8 HG23 THR 8 -9.912 -6.076 -13.056 51 H ARG 9 H ARG 9 -6.927 -6.300 -16.120 52 HA ARG 9 HA ARG 9 -6.150 -8.430 -14.545 53 HB2 ARG 9 HB2 ARG 9 -6.595 -8.653 -16.931 54 HB3 ARG 9 HB3 ARG 9 -5.170 -7.695 -17.309 55 HG2 ARG 9 HG2 ARG 9 -3.776 -9.449 -16.239 56 HG3 ARG 9 HG3 ARG 9 -5.234 -10.424 -16.043 57 HD2 ARG 9 HD2 ARG 9 -5.443 -10.806 -18.306 58 HD3 ARG 9 HD3 ARG 9 -4.547 -9.351 -18.740 59 HE ARG 9 HE ARG 9 -2.597 -10.552 -18.624 60 HH11 ARG 9 HH11 ARG 9 -5.168 -12.375 -17.146 61 HH12 ARG 9 HH12 ARG 9 -4.229 -13.823 -16.991 62 HH21 ARG 9 HH21 ARG 9 -1.349 -12.451 -18.424 63 HH22 ARG 9 HH22 ARG 9 -2.056 -13.865 -17.717 64 H GLN 10 H GLN 10 -4.153 -5.820 -15.867 65 HA GLN 10 HA GLN 10 -1.637 -6.718 -15.192 66 HB2 GLN 10 HB2 GLN 10 -2.849 -3.988 -15.390 67 HB3 GLN 10 HB3 GLN 10 -1.204 -4.159 -14.791 68 HG2 GLN 10 HG2 GLN 10 -1.250 -3.685 -17.178 69 HG3 GLN 10 HG3 GLN 10 -0.545 -5.266 -16.844 70 HE21 GLN 10 HE21 GLN 10 -3.531 -3.659 -17.814 71 HE22 GLN 10 HE22 GLN 10 -4.136 -4.965 -18.770 72 H CYS 11 H CYS 11 -4.131 -5.419 -13.125 73 HA CYS 11 HA CYS 11 -2.375 -5.142 -10.845 74 HB2 CYS 11 HB2 CYS 11 -4.217 -3.585 -11.056 75 HB3 CYS 11 HB3 CYS 11 -5.377 -4.907 -11.123 76 H TRP 12 H TRP 12 -4.827 -7.396 -11.996 77 HA TRP 12 HA TRP 12 -5.151 -8.969 -9.736 78 HB2 TRP 12 HB2 TRP 12 -5.143 -9.829 -12.638 79 HB3 TRP 12 HB3 TRP 12 -5.768 -10.792 -11.302 80 HD1 TRP 12 HD1 TRP 12 -6.817 -7.507 -10.368 81 HE1 TRP 12 HE1 TRP 12 -9.200 -6.969 -11.180 82 HE3 TRP 12 HE3 TRP 12 -7.356 -11.233 -13.826 83 HZ2 TRP 12 HZ2 TRP 12 -11.061 -7.990 -13.039 84 HZ3 TRP 12 HZ3 TRP 12 -9.470 -11.384 -15.078 85 HH2 TRP 12 HH2 TRP 12 -11.282 -9.795 -14.691 86 H GLY 13 H GLY 13 -2.628 -9.086 -12.210 87 HA2 GLY 13 HA2 GLY 13 -1.368 -11.454 -11.585 88 HA3 GLY 13 HA3 GLY 13 -0.529 -10.019 -12.154 89 HA PRO 14 HA PRO 14 1.437 -9.411 -8.287 90 HB2 PRO 14 HB2 PRO 14 1.066 -6.783 -7.712 91 HB3 PRO 14 HB3 PRO 14 2.138 -7.343 -9.002 92 HG2 PRO 14 HG2 PRO 14 -0.667 -6.310 -9.184 93 HG3 PRO 14 HG3 PRO 14 0.726 -5.953 -10.221 94 HD2 PRO 14 HD2 PRO 14 -1.202 -7.718 -10.927 95 HD3 PRO 14 HD3 PRO 14 0.492 -7.907 -11.420 96 H CYS 15 H CYS 15 -1.903 -8.371 -8.448 97 HA CYS 15 HA CYS 15 -2.324 -7.945 -5.689 98 HB2 CYS 15 HB2 CYS 15 -3.865 -7.129 -7.431 99 HB3 CYS 15 HB3 CYS 15 -4.312 -8.790 -7.808 100 H LYS 16 H LYS 16 -2.442 -10.811 -7.710 101 HA LYS 16 HA LYS 16 -3.703 -12.529 -5.859 102 HB2 LYS 16 HB2 LYS 16 -2.965 -12.759 -8.455 103 HB3 LYS 16 HB3 LYS 16 -1.701 -13.710 -7.688 104 HG2 LYS 16 HG2 LYS 16 -4.607 -14.171 -7.106 105 HG3 LYS 16 HG3 LYS 16 -3.784 -14.940 -8.465 106 HD2 LYS 16 HD2 LYS 16 -2.878 -15.134 -5.594 107 HD3 LYS 16 HD3 LYS 16 -3.873 -16.343 -6.409 108 HE2 LYS 16 HE2 LYS 16 -1.066 -15.505 -7.119 109 HE3 LYS 16 HE3 LYS 16 -1.582 -17.060 -6.470 110 HZ1 LYS 16 HZ1 LYS 16 -1.989 -15.963 -9.175 111 HZ2 LYS 16 HZ2 LYS 16 -3.018 -17.165 -8.578 112 HZ3 LYS 16 HZ3 LYS 16 -1.359 -17.467 -8.719 113 H LYS 17 H LYS 17 -0.307 -11.761 -6.472 114 HA LYS 17 HA LYS 17 0.893 -13.655 -4.830 115 HB2 LYS 17 HB2 LYS 17 2.066 -12.102 -6.408 116 HB3 LYS 17 HB3 LYS 17 1.838 -10.813 -5.233 117 HG2 LYS 17 HG2 LYS 17 4.038 -11.607 -4.943 118 HG3 LYS 17 HG3 LYS 17 3.100 -12.242 -3.589 119 HD2 LYS 17 HD2 LYS 17 2.907 -14.392 -4.697 120 HD3 LYS 17 HD3 LYS 17 3.757 -13.765 -6.112 121 HE2 LYS 17 HE2 LYS 17 5.223 -15.103 -4.662 122 HE3 LYS 17 HE3 LYS 17 5.763 -13.431 -4.793 123 HZ1 LYS 17 HZ1 LYS 17 5.144 -12.969 -2.641 124 HZ2 LYS 17 HZ2 LYS 17 5.681 -14.567 -2.490 125 HZ3 LYS 17 HZ3 LYS 17 4.023 -14.234 -2.559 126 H GLN 18 H GLN 18 -0.088 -10.331 -4.005 127 HA GLN 18 HA GLN 18 0.556 -10.630 -1.241 128 HB2 GLN 18 HB2 GLN 18 -0.774 -8.554 -2.915 129 HB3 GLN 18 HB3 GLN 18 -1.034 -8.503 -1.176 130 HG2 GLN 18 HG2 GLN 18 1.748 -8.743 -2.196 131 HG3 GLN 18 HG3 GLN 18 0.931 -7.184 -2.305 132 HE21 GLN 18 HE21 GLN 18 1.951 -9.717 -0.097 133 HE22 GLN 18 HE22 GLN 18 2.030 -8.717 1.310 134 H THR 19 H THR 19 -2.472 -10.663 -3.090 135 HA THR 19 HA THR 19 -3.721 -12.131 -0.877 136 HB THR 19 HB THR 19 -5.729 -10.848 -0.939 137 HG1 THR 19 HG1 THR 19 -4.599 -9.799 -3.286 138 HG21 THR 19 HG21 THR 19 -3.818 -9.895 0.355 139 HG22 THR 19 HG22 THR 19 -4.995 -8.691 -0.170 140 HG23 THR 19 HG23 THR 19 -3.463 -8.857 -1.025 141 H THR 20 H THR 20 -4.483 -13.990 -1.615 142 HA THR 20 HA THR 20 -4.490 -14.917 -4.168 143 HB THR 20 HB THR 20 -6.179 -16.580 -3.505 144 HG1 THR 20 HG1 THR 20 -6.391 -15.060 -1.101 145 HG21 THR 20 HG21 THR 20 -4.453 -17.589 -2.522 146 HG22 THR 20 HG22 THR 20 -4.853 -16.757 -1.020 147 HG23 THR 20 HG23 THR 20 -3.715 -16.031 -2.153 148 H CYS 21 H CYS 21 -6.982 -12.974 -2.631 149 HA CYS 21 HA CYS 21 -8.916 -13.255 -4.696 150 HB2 CYS 21 HB2 CYS 21 -8.556 -11.312 -2.427 151 HB3 CYS 21 HB3 CYS 21 -9.845 -11.107 -3.608 152 H THR 22 H THR 22 -8.151 -12.781 -6.703 153 HA THR 22 HA THR 22 -6.469 -10.590 -7.312 154 HB THR 22 HB THR 22 -7.497 -11.037 -9.709 155 HG1 THR 22 HG1 THR 22 -9.116 -12.424 -9.376 156 HG21 THR 22 HG21 THR 22 -5.554 -12.616 -8.096 157 HG22 THR 22 HG22 THR 22 -5.288 -11.623 -9.528 158 HG23 THR 22 HG23 THR 22 -6.008 -13.224 -9.687 159 H ASN 23 H ASN 23 -9.892 -10.897 -6.919 160 HA ASN 23 HA ASN 23 -10.938 -8.885 -8.454 161 HB2 ASN 23 HB2 ASN 23 -12.041 -10.487 -6.686 162 HB3 ASN 23 HB3 ASN 23 -11.828 -9.114 -5.604 163 HD21 ASN 23 HD21 ASN 23 -13.331 -7.594 -5.602 164 HD22 ASN 23 HD22 ASN 23 -14.575 -7.406 -6.786 165 H SER 24 H SER 24 -9.981 -6.966 -8.751 166 HA SER 24 HA SER 24 -9.794 -5.164 -6.482 167 HB2 SER 24 HB2 SER 24 -7.561 -6.248 -6.590 168 HB3 SER 24 HB3 SER 24 -7.389 -5.679 -8.250 169 HG SER 24 HG SER 24 -6.433 -4.349 -6.504 170 H LYS 25 H LYS 25 -8.982 -2.931 -7.335 171 HA LYS 25 HA LYS 25 -10.024 -2.456 -10.041 172 HB2 LYS 25 HB2 LYS 25 -10.897 -1.199 -7.473 173 HB3 LYS 25 HB3 LYS 25 -10.903 -0.227 -8.938 174 HG2 LYS 25 HG2 LYS 25 -12.304 -2.029 -9.996 175 HG3 LYS 25 HG3 LYS 25 -12.452 -2.743 -8.388 176 HD2 LYS 25 HD2 LYS 25 -14.364 -1.424 -8.577 177 HD3 LYS 25 HD3 LYS 25 -13.253 -0.405 -7.660 178 HE2 LYS 25 HE2 LYS 25 -12.752 0.914 -9.558 179 HE3 LYS 25 HE3 LYS 25 -13.510 -0.240 -10.652 180 HZ1 LYS 25 HZ1 LYS 25 -14.776 1.887 -10.020 181 HZ2 LYS 25 HZ2 LYS 25 -15.098 1.096 -8.559 182 HZ3 LYS 25 HZ3 LYS 25 -15.618 0.419 -10.019 183 H CYS 26 H CYS 26 -8.501 -1.525 -11.223 184 HA CYS 26 HA CYS 26 -6.310 -0.113 -9.932 185 HB2 CYS 26 HB2 CYS 26 -6.185 -1.837 -11.915 186 HB3 CYS 26 HB3 CYS 26 -6.548 -0.424 -12.901 187 H MET 27 H MET 27 -6.849 1.917 -9.365 188 HA MET 27 HA MET 27 -7.900 3.669 -11.486 189 HB2 MET 27 HB2 MET 27 -8.988 4.984 -9.612 190 HB3 MET 27 HB3 MET 27 -9.707 3.421 -9.973 191 HG2 MET 27 HG2 MET 27 -8.549 2.434 -8.074 192 HG3 MET 27 HG3 MET 27 -7.796 3.988 -7.720 193 HE1 MET 27 HE1 MET 27 -8.734 5.911 -7.020 194 HE2 MET 27 HE2 MET 27 -10.378 6.288 -7.538 195 HE3 MET 27 HE3 MET 27 -10.039 5.971 -5.835 196 H ASN 28 H ASN 28 -6.940 5.643 -11.720 197 HA ASN 28 HA ASN 28 -5.344 7.254 -11.567 198 HB2 ASN 28 HB2 ASN 28 -6.436 7.336 -9.203 199 HB3 ASN 28 HB3 ASN 28 -4.936 6.581 -8.669 200 HD21 ASN 28 HD21 ASN 28 -3.091 7.769 -8.569 201 HD22 ASN 28 HD22 ASN 28 -3.031 9.470 -8.860 202 H GLY 29 H GLY 29 -4.564 4.607 -12.313 203 HA2 GLY 29 HA2 GLY 29 -2.645 3.426 -12.751 204 HA3 GLY 29 HA3 GLY 29 -1.769 4.873 -12.274 205 H LYS 30 H LYS 30 -3.936 3.317 -10.049 206 HA LYS 30 HA LYS 30 -1.636 2.160 -8.622 207 HB2 LYS 30 HB2 LYS 30 -3.971 3.478 -7.241 208 HB3 LYS 30 HB3 LYS 30 -2.455 2.945 -6.524 209 HG2 LYS 30 HG2 LYS 30 -1.471 4.695 -8.264 210 HG3 LYS 30 HG3 LYS 30 -3.075 5.401 -8.055 211 HD2 LYS 30 HD2 LYS 30 -1.166 4.724 -5.818 212 HD3 LYS 30 HD3 LYS 30 -1.416 6.337 -6.488 213 HE2 LYS 30 HE2 LYS 30 -3.538 4.638 -5.181 214 HE3 LYS 30 HE3 LYS 30 -2.684 5.972 -4.409 215 HZ1 LYS 30 HZ1 LYS 30 -3.570 7.261 -6.486 216 HZ2 LYS 30 HZ2 LYS 30 -4.554 7.027 -5.130 217 HZ3 LYS 30 HZ3 LYS 30 -4.743 6.041 -6.492 218 H CYS 31 H CYS 31 -2.059 0.305 -7.372 219 HA CYS 31 HA CYS 31 -4.515 -1.103 -8.160 220 HB2 CYS 31 HB2 CYS 31 -2.510 -2.247 -8.872 221 HB3 CYS 31 HB3 CYS 31 -1.830 -2.152 -7.251 222 H LYS 32 H LYS 32 -6.048 -1.265 -6.678 223 HA LYS 32 HA LYS 32 -5.260 -1.368 -3.839 224 HB2 LYS 32 HB2 LYS 32 -6.332 0.733 -4.187 225 HB3 LYS 32 HB3 LYS 32 -7.614 -0.003 -5.139 226 HG2 LYS 32 HG2 LYS 32 -8.354 0.639 -2.888 227 HG3 LYS 32 HG3 LYS 32 -8.499 -1.097 -3.177 228 HD2 LYS 32 HD2 LYS 32 -7.598 -0.667 -0.957 229 HD3 LYS 32 HD3 LYS 32 -6.394 -1.465 -1.973 230 HE2 LYS 32 HE2 LYS 32 -5.343 0.706 -2.413 231 HE3 LYS 32 HE3 LYS 32 -6.539 1.491 -1.384 232 HZ1 LYS 32 HZ1 LYS 32 -4.322 -0.286 -0.619 233 HZ2 LYS 32 HZ2 LYS 32 -5.682 -0.167 0.377 234 HZ3 LYS 32 HZ3 LYS 32 -4.765 1.211 0.032 235 H CYS 33 H CYS 33 -5.332 -3.549 -3.528 236 HA CYS 33 HA CYS 33 -7.247 -5.299 -4.606 237 HB2 CYS 33 HB2 CYS 33 -5.338 -5.463 -2.296 238 HB3 CYS 33 HB3 CYS 33 -6.512 -6.748 -2.563 239 H TYR 34 H TYR 34 -8.988 -6.404 -3.556 240 HA TYR 34 HA TYR 34 -10.429 -4.663 -1.694 241 HB2 TYR 34 HB2 TYR 34 -11.250 -6.729 -3.692 242 HB3 TYR 34 HB3 TYR 34 -12.313 -6.404 -2.327 243 HD1 TYR 34 HD1 TYR 34 -10.293 -4.356 -4.726 244 HD2 TYR 34 HD2 TYR 34 -14.040 -4.967 -2.805 245 HE1 TYR 34 HE1 TYR 34 -11.213 -2.409 -5.915 246 HE2 TYR 34 HE2 TYR 34 -14.971 -3.021 -3.988 247 HH TYR 34 HH TYR 34 -13.700 -0.758 -5.088 248 H GLY 35 H GLY 35 -9.196 -7.937 -2.043 249 HA2 GLY 35 HA2 GLY 35 -8.597 -9.417 -0.360 250 HA3 GLY 35 HA3 GLY 35 -9.235 -8.283 0.822 251 H CYS 36 H CYS 36 -9.578 -11.162 0.727 252 HA CYS 36 HA CYS 36 -12.195 -11.786 -0.201 253 HB2 CYS 36 HB2 CYS 36 -10.538 -13.228 1.880 254 HB3 CYS 36 HB3 CYS 36 -11.913 -13.887 1.001 255 H VAL 37 H VAL 37 -14.026 -11.071 0.641 256 HA VAL 37 HA VAL 37 -14.097 -10.295 3.471 257 HB VAL 37 HB VAL 37 -16.205 -9.126 2.897 258 HG11 VAL 37 HG11 VAL 37 -13.623 -8.348 2.393 259 HG12 VAL 37 HG12 VAL 37 -14.444 -7.984 0.873 260 HG13 VAL 37 HG13 VAL 37 -15.035 -7.291 2.384 261 HG21 VAL 37 HG21 VAL 37 -15.588 -9.558 0.003 262 HG22 VAL 37 HG22 VAL 37 -16.577 -10.722 0.885 263 HG23 VAL 37 HG23 VAL 37 -17.095 -9.040 0.760 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.771 -0.355 -0.227 2 HA2 GLY 1 HA2 GLY 1 1.585 1.247 -0.743 3 HA3 GLY 1 HA3 GLY 1 3.002 1.155 -1.779 4 H ASP 2 H ASP 2 0.745 1.714 -3.034 5 HA ASP 2 HA ASP 2 -0.623 -0.667 -3.920 6 HB2 ASP 2 HB2 ASP 2 -0.807 2.037 -5.232 7 HB3 ASP 2 HB3 ASP 2 -2.025 0.766 -5.161 8 H ILE 3 H ILE 3 -0.471 -1.654 -5.913 9 HA ILE 3 HA ILE 3 2.076 -1.382 -7.241 10 HB ILE 3 HB ILE 3 -0.250 -3.200 -7.876 11 HG12 ILE 3 HG12 ILE 3 1.589 -4.855 -6.892 12 HG13 ILE 3 HG13 ILE 3 2.088 -3.400 -6.037 13 HG21 ILE 3 HG21 ILE 3 2.541 -3.011 -8.961 14 HG22 ILE 3 HG22 ILE 3 1.620 -4.512 -9.031 15 HG23 ILE 3 HG23 ILE 3 1.013 -3.067 -9.841 16 HD11 ILE 3 HD11 ILE 3 0.298 -3.430 -4.685 17 HD12 ILE 3 HD12 ILE 3 -0.788 -3.993 -5.956 18 HD13 ILE 3 HD13 ILE 3 0.259 -5.138 -5.119 19 H LYS 4 H LYS 4 2.472 -0.178 -8.970 20 HA LYS 4 HA LYS 4 0.444 1.386 -10.205 21 HB2 LYS 4 HB2 LYS 4 2.717 2.226 -10.010 22 HB3 LYS 4 HB3 LYS 4 3.323 0.897 -10.989 23 HG2 LYS 4 HG2 LYS 4 2.065 1.738 -12.909 24 HG3 LYS 4 HG3 LYS 4 1.468 3.076 -11.926 25 HD2 LYS 4 HD2 LYS 4 3.546 4.098 -11.824 26 HD3 LYS 4 HD3 LYS 4 4.410 2.603 -12.184 27 HE2 LYS 4 HE2 LYS 4 3.770 2.689 -14.472 28 HE3 LYS 4 HE3 LYS 4 2.617 3.988 -14.167 29 HZ1 LYS 4 HZ1 LYS 4 4.861 4.588 -15.190 30 HZ2 LYS 4 HZ2 LYS 4 5.500 4.353 -13.643 31 HZ3 LYS 4 HZ3 LYS 4 4.313 5.532 -13.897 32 H CYS 5 H CYS 5 -0.603 1.144 -12.117 33 HA CYS 5 HA CYS 5 0.184 -0.726 -14.118 34 HB2 CYS 5 HB2 CYS 5 -1.843 -2.183 -13.929 35 HB3 CYS 5 HB3 CYS 5 -0.695 -2.381 -12.609 36 H SER 6 H SER 6 -1.931 -1.098 -15.611 37 HA SER 6 HA SER 6 -3.218 1.539 -15.890 38 HB2 SER 6 HB2 SER 6 -1.336 0.765 -17.593 39 HB3 SER 6 HB3 SER 6 -2.679 -0.123 -18.313 40 HG SER 6 HG SER 6 -2.263 2.632 -18.108 41 H GLY 7 H GLY 7 -3.446 -1.871 -16.910 42 HA2 GLY 7 HA2 GLY 7 -6.344 -1.583 -17.180 43 HA3 GLY 7 HA3 GLY 7 -5.385 -2.961 -17.697 44 H THR 8 H THR 8 -7.411 -3.896 -16.562 45 HA THR 8 HA THR 8 -7.333 -3.920 -13.686 46 HB THR 8 HB THR 8 -8.873 -5.951 -15.250 47 HG1 THR 8 HG1 THR 8 -9.491 -3.174 -15.062 48 HG21 THR 8 HG21 THR 8 -8.806 -4.998 -12.579 49 HG22 THR 8 HG22 THR 8 -9.862 -6.229 -13.273 50 HG23 THR 8 HG23 THR 8 -10.362 -4.537 -13.271 51 H ARG 9 H ARG 9 -6.837 -6.401 -16.203 52 HA ARG 9 HA ARG 9 -6.063 -8.498 -14.585 53 HB2 ARG 9 HB2 ARG 9 -4.816 -9.347 -16.562 54 HB3 ARG 9 HB3 ARG 9 -6.451 -8.826 -16.942 55 HG2 ARG 9 HG2 ARG 9 -5.398 -6.610 -17.641 56 HG3 ARG 9 HG3 ARG 9 -3.859 -7.471 -17.594 57 HD2 ARG 9 HD2 ARG 9 -4.408 -7.818 -19.778 58 HD3 ARG 9 HD3 ARG 9 -5.208 -9.214 -19.058 59 HE ARG 9 HE ARG 9 -7.232 -8.301 -19.619 60 HH11 ARG 9 HH11 ARG 9 -4.765 -5.857 -19.866 61 HH12 ARG 9 HH12 ARG 9 -5.812 -4.690 -20.604 62 HH21 ARG 9 HH21 ARG 9 -8.620 -6.773 -20.590 63 HH22 ARG 9 HH22 ARG 9 -8.004 -5.212 -21.015 64 H GLN 10 H GLN 10 -4.076 -5.876 -15.894 65 HA GLN 10 HA GLN 10 -1.561 -6.737 -15.169 66 HB2 GLN 10 HB2 GLN 10 -2.822 -4.067 -15.521 67 HB3 GLN 10 HB3 GLN 10 -1.256 -4.121 -14.722 68 HG2 GLN 10 HG2 GLN 10 -1.850 -5.299 -17.427 69 HG3 GLN 10 HG3 GLN 10 -1.101 -3.729 -17.146 70 HE21 GLN 10 HE21 GLN 10 1.004 -3.632 -16.365 71 HE22 GLN 10 HE22 GLN 10 2.062 -4.996 -16.405 72 H CYS 11 H CYS 11 -4.109 -5.463 -13.157 73 HA CYS 11 HA CYS 11 -2.397 -5.138 -10.848 74 HB2 CYS 11 HB2 CYS 11 -4.272 -3.617 -11.123 75 HB3 CYS 11 HB3 CYS 11 -5.401 -4.968 -11.162 76 H TRP 12 H TRP 12 -4.792 -7.442 -12.023 77 HA TRP 12 HA TRP 12 -5.128 -9.001 -9.756 78 HB2 TRP 12 HB2 TRP 12 -5.060 -9.880 -12.650 79 HB3 TRP 12 HB3 TRP 12 -5.687 -10.848 -11.319 80 HD1 TRP 12 HD1 TRP 12 -6.807 -7.572 -10.426 81 HE1 TRP 12 HE1 TRP 12 -9.188 -7.086 -11.272 82 HE3 TRP 12 HE3 TRP 12 -7.234 -11.340 -13.854 83 HZ2 TRP 12 HZ2 TRP 12 -11.007 -8.159 -13.145 84 HZ3 TRP 12 HZ3 TRP 12 -9.327 -11.541 -15.130 85 HH2 TRP 12 HH2 TRP 12 -11.174 -9.982 -14.782 86 H GLY 13 H GLY 13 -2.562 -9.094 -12.186 87 HA2 GLY 13 HA2 GLY 13 -1.274 -11.438 -11.522 88 HA3 GLY 13 HA3 GLY 13 -0.449 -9.993 -12.088 89 HA PRO 14 HA PRO 14 1.441 -9.321 -8.194 90 HB2 PRO 14 HB2 PRO 14 1.016 -6.696 -7.646 91 HB3 PRO 14 HB3 PRO 14 2.118 -7.247 -8.914 92 HG2 PRO 14 HG2 PRO 14 -0.700 -6.264 -9.149 93 HG3 PRO 14 HG3 PRO 14 0.704 -5.891 -10.167 94 HD2 PRO 14 HD2 PRO 14 -1.183 -7.694 -10.890 95 HD3 PRO 14 HD3 PRO 14 0.523 -7.859 -11.355 96 H CYS 15 H CYS 15 -1.913 -8.350 -8.419 97 HA CYS 15 HA CYS 15 -2.376 -7.924 -5.660 98 HB2 CYS 15 HB2 CYS 15 -3.887 -7.102 -7.434 99 HB3 CYS 15 HB3 CYS 15 -4.336 -8.763 -7.806 100 H LYS 16 H LYS 16 -2.373 -10.775 -7.686 101 HA LYS 16 HA LYS 16 -3.646 -12.493 -5.797 102 HB2 LYS 16 HB2 LYS 16 -3.069 -12.693 -8.445 103 HB3 LYS 16 HB3 LYS 16 -1.804 -13.705 -7.760 104 HG2 LYS 16 HG2 LYS 16 -4.707 -14.051 -7.073 105 HG3 LYS 16 HG3 LYS 16 -3.937 -14.871 -8.433 106 HD2 LYS 16 HD2 LYS 16 -3.012 -15.057 -5.568 107 HD3 LYS 16 HD3 LYS 16 -4.032 -16.251 -6.372 108 HE2 LYS 16 HE2 LYS 16 -2.209 -16.476 -8.097 109 HE3 LYS 16 HE3 LYS 16 -1.195 -15.491 -7.042 110 HZ1 LYS 16 HZ1 LYS 16 -1.118 -18.066 -6.890 111 HZ2 LYS 16 HZ2 LYS 16 -2.511 -17.880 -5.948 112 HZ3 LYS 16 HZ3 LYS 16 -1.065 -17.140 -5.475 113 H LYS 17 H LYS 17 -0.291 -11.752 -6.614 114 HA LYS 17 HA LYS 17 0.974 -13.704 -5.076 115 HB2 LYS 17 HB2 LYS 17 1.932 -11.941 -6.753 116 HB3 LYS 17 HB3 LYS 17 2.114 -10.941 -5.318 117 HG2 LYS 17 HG2 LYS 17 4.180 -11.962 -5.526 118 HG3 LYS 17 HG3 LYS 17 3.358 -12.961 -4.325 119 HD2 LYS 17 HD2 LYS 17 4.224 -14.571 -5.724 120 HD3 LYS 17 HD3 LYS 17 2.620 -14.343 -6.424 121 HE2 LYS 17 HE2 LYS 17 3.507 -12.923 -8.140 122 HE3 LYS 17 HE3 LYS 17 5.096 -12.915 -7.378 123 HZ1 LYS 17 HZ1 LYS 17 5.034 -14.426 -9.254 124 HZ2 LYS 17 HZ2 LYS 17 3.755 -15.286 -8.560 125 HZ3 LYS 17 HZ3 LYS 17 5.275 -15.287 -7.818 126 H GLN 18 H GLN 18 -0.401 -10.607 -4.165 127 HA GLN 18 HA GLN 18 0.595 -10.855 -1.440 128 HB2 GLN 18 HB2 GLN 18 -0.764 -8.713 -3.014 129 HB3 GLN 18 HB3 GLN 18 -0.894 -8.677 -1.261 130 HG2 GLN 18 HG2 GLN 18 1.632 -8.825 -1.208 131 HG3 GLN 18 HG3 GLN 18 1.586 -8.503 -2.941 132 HE21 GLN 18 HE21 GLN 18 1.100 -7.207 0.233 133 HE22 GLN 18 HE22 GLN 18 0.960 -5.551 -0.237 134 H THR 19 H THR 19 -2.507 -10.761 -3.160 135 HA THR 19 HA THR 19 -3.711 -12.218 -0.915 136 HB THR 19 HB THR 19 -5.730 -10.879 -0.986 137 HG1 THR 19 HG1 THR 19 -5.828 -10.160 -3.079 138 HG21 THR 19 HG21 THR 19 -4.795 -8.675 -0.223 139 HG22 THR 19 HG22 THR 19 -3.201 -9.262 -0.699 140 HG23 THR 19 HG23 THR 19 -4.101 -10.088 0.572 141 H THR 20 H THR 20 -4.601 -14.031 -1.626 142 HA THR 20 HA THR 20 -4.727 -14.943 -4.184 143 HB THR 20 HB THR 20 -6.544 -16.493 -3.453 144 HG1 THR 20 HG1 THR 20 -6.345 -15.364 -0.876 145 HG21 THR 20 HG21 THR 20 -4.266 -17.129 -3.021 146 HG22 THR 20 HG22 THR 20 -5.230 -17.536 -1.602 147 HG23 THR 20 HG23 THR 20 -4.202 -16.104 -1.588 148 H CYS 21 H CYS 21 -7.082 -12.908 -2.555 149 HA CYS 21 HA CYS 21 -9.091 -13.094 -4.561 150 HB2 CYS 21 HB2 CYS 21 -8.582 -11.171 -2.299 151 HB3 CYS 21 HB3 CYS 21 -9.912 -10.932 -3.428 152 H THR 22 H THR 22 -8.247 -12.676 -6.573 153 HA THR 22 HA THR 22 -6.565 -10.487 -7.188 154 HB THR 22 HB THR 22 -7.564 -10.965 -9.591 155 HG1 THR 22 HG1 THR 22 -8.712 -12.771 -9.741 156 HG21 THR 22 HG21 THR 22 -5.967 -13.186 -8.363 157 HG22 THR 22 HG22 THR 22 -5.280 -11.569 -8.524 158 HG23 THR 22 HG23 THR 22 -5.809 -12.450 -9.957 159 H ASN 23 H ASN 23 -9.976 -10.778 -6.779 160 HA ASN 23 HA ASN 23 -11.039 -8.814 -8.363 161 HB2 ASN 23 HB2 ASN 23 -12.141 -10.358 -6.561 162 HB3 ASN 23 HB3 ASN 23 -11.885 -8.983 -5.490 163 HD21 ASN 23 HD21 ASN 23 -13.398 -7.482 -5.437 164 HD22 ASN 23 HD22 ASN 23 -14.646 -7.263 -6.612 165 H SER 24 H SER 24 -10.085 -6.905 -8.727 166 HA SER 24 HA SER 24 -9.887 -5.027 -6.525 167 HB2 SER 24 HB2 SER 24 -7.657 -6.146 -6.600 168 HB3 SER 24 HB3 SER 24 -7.472 -5.589 -8.263 169 HG SER 24 HG SER 24 -7.992 -3.807 -6.131 170 H LYS 25 H LYS 25 -9.011 -2.839 -7.478 171 HA LYS 25 HA LYS 25 -10.029 -2.455 -10.205 172 HB2 LYS 25 HB2 LYS 25 -11.003 -1.174 -7.698 173 HB3 LYS 25 HB3 LYS 25 -10.911 -0.177 -9.144 174 HG2 LYS 25 HG2 LYS 25 -12.250 -2.824 -9.333 175 HG3 LYS 25 HG3 LYS 25 -13.093 -1.501 -8.524 176 HD2 LYS 25 HD2 LYS 25 -12.959 -0.132 -10.486 177 HD3 LYS 25 HD3 LYS 25 -11.904 -1.298 -11.288 178 HE2 LYS 25 HE2 LYS 25 -13.876 -2.942 -10.940 179 HE3 LYS 25 HE3 LYS 25 -14.835 -1.483 -10.700 180 HZ1 LYS 25 HZ1 LYS 25 -13.310 -2.261 -13.119 181 HZ2 LYS 25 HZ2 LYS 25 -13.953 -0.714 -12.892 182 HZ3 LYS 25 HZ3 LYS 25 -14.983 -2.054 -12.975 183 H CYS 26 H CYS 26 -8.485 -1.557 -11.382 184 HA CYS 26 HA CYS 26 -6.307 -0.126 -10.107 185 HB2 CYS 26 HB2 CYS 26 -6.197 -1.846 -12.092 186 HB3 CYS 26 HB3 CYS 26 -6.560 -0.431 -13.075 187 H MET 27 H MET 27 -6.902 1.889 -9.506 188 HA MET 27 HA MET 27 -7.917 3.659 -11.629 189 HB2 MET 27 HB2 MET 27 -9.135 4.924 -9.896 190 HB3 MET 27 HB3 MET 27 -9.698 3.263 -10.024 191 HG2 MET 27 HG2 MET 27 -9.553 3.346 -7.785 192 HG3 MET 27 HG3 MET 27 -7.866 2.952 -8.104 193 HE1 MET 27 HE1 MET 27 -10.037 5.242 -5.993 194 HE2 MET 27 HE2 MET 27 -9.599 6.863 -6.531 195 HE3 MET 27 HE3 MET 27 -10.431 5.764 -7.631 196 H ASN 28 H ASN 28 -6.958 5.637 -11.837 197 HA ASN 28 HA ASN 28 -5.348 7.233 -11.672 198 HB2 ASN 28 HB2 ASN 28 -6.507 7.283 -9.308 199 HB3 ASN 28 HB3 ASN 28 -4.964 6.629 -8.766 200 HD21 ASN 28 HD21 ASN 28 -5.030 8.701 -7.554 201 HD22 ASN 28 HD22 ASN 28 -4.360 10.098 -8.321 202 H GLY 29 H GLY 29 -4.555 4.573 -12.361 203 HA2 GLY 29 HA2 GLY 29 -2.630 3.377 -12.723 204 HA3 GLY 29 HA3 GLY 29 -1.763 4.833 -12.258 205 H LYS 30 H LYS 30 -3.983 3.328 -10.049 206 HA LYS 30 HA LYS 30 -1.716 2.205 -8.542 207 HB2 LYS 30 HB2 LYS 30 -4.089 3.555 -7.257 208 HB3 LYS 30 HB3 LYS 30 -2.602 3.026 -6.481 209 HG2 LYS 30 HG2 LYS 30 -1.559 4.739 -8.237 210 HG3 LYS 30 HG3 LYS 30 -3.160 5.462 -8.060 211 HD2 LYS 30 HD2 LYS 30 -2.849 5.909 -5.808 212 HD3 LYS 30 HD3 LYS 30 -1.597 4.677 -5.632 213 HE2 LYS 30 HE2 LYS 30 0.008 6.022 -6.737 214 HE3 LYS 30 HE3 LYS 30 -1.223 7.151 -7.304 215 HZ1 LYS 30 HZ1 LYS 30 -0.137 8.175 -5.499 216 HZ2 LYS 30 HZ2 LYS 30 -0.236 6.790 -4.534 217 HZ3 LYS 30 HZ3 LYS 30 -1.635 7.666 -4.900 218 H CYS 31 H CYS 31 -2.098 0.311 -7.415 219 HA CYS 31 HA CYS 31 -4.602 -1.059 -8.122 220 HB2 CYS 31 HB2 CYS 31 -2.669 -2.214 -8.966 221 HB3 CYS 31 HB3 CYS 31 -1.872 -2.134 -7.399 222 H LYS 32 H LYS 32 -6.064 -1.198 -6.567 223 HA LYS 32 HA LYS 32 -5.143 -1.340 -3.771 224 HB2 LYS 32 HB2 LYS 32 -6.330 0.707 -4.068 225 HB3 LYS 32 HB3 LYS 32 -7.617 -0.091 -4.961 226 HG2 LYS 32 HG2 LYS 32 -8.285 0.514 -2.680 227 HG3 LYS 32 HG3 LYS 32 -8.355 -1.228 -2.963 228 HD2 LYS 32 HD2 LYS 32 -6.320 -1.578 -1.765 229 HD3 LYS 32 HD3 LYS 32 -6.010 0.158 -1.672 230 HE2 LYS 32 HE2 LYS 32 -8.261 -1.342 -0.335 231 HE3 LYS 32 HE3 LYS 32 -6.837 -0.668 0.455 232 HZ1 LYS 32 HZ1 LYS 32 -8.635 0.829 0.775 233 HZ2 LYS 32 HZ2 LYS 32 -9.030 0.829 -0.869 234 HZ3 LYS 32 HZ3 LYS 32 -7.591 1.547 -0.345 235 H CYS 33 H CYS 33 -5.094 -3.523 -3.464 236 HA CYS 33 HA CYS 33 -6.969 -5.362 -4.461 237 HB2 CYS 33 HB2 CYS 33 -4.866 -5.408 -2.350 238 HB3 CYS 33 HB3 CYS 33 -6.063 -6.699 -2.342 239 H TYR 34 H TYR 34 -8.932 -5.978 -3.796 240 HA TYR 34 HA TYR 34 -10.200 -4.518 -1.660 241 HB2 TYR 34 HB2 TYR 34 -11.171 -6.596 -3.618 242 HB3 TYR 34 HB3 TYR 34 -12.195 -5.971 -2.330 243 HD1 TYR 34 HD1 TYR 34 -12.092 -5.763 -5.586 244 HD2 TYR 34 HD2 TYR 34 -11.466 -3.120 -2.310 245 HE1 TYR 34 HE1 TYR 34 -12.712 -3.857 -7.012 246 HE2 TYR 34 HE2 TYR 34 -12.086 -1.208 -3.727 247 HH TYR 34 HH TYR 34 -12.154 -0.635 -6.119 248 H GLY 35 H GLY 35 -9.047 -7.792 -2.220 249 HA2 GLY 35 HA2 GLY 35 -8.464 -9.389 -0.644 250 HA3 GLY 35 HA3 GLY 35 -9.031 -8.304 0.617 251 H CYS 36 H CYS 36 -9.636 -10.781 1.111 252 HA CYS 36 HA CYS 36 -12.224 -11.463 -0.036 253 HB2 CYS 36 HB2 CYS 36 -10.610 -12.924 2.064 254 HB3 CYS 36 HB3 CYS 36 -12.017 -13.546 1.210 255 H VAL 37 H VAL 37 -14.079 -10.861 0.848 256 HA VAL 37 HA VAL 37 -14.187 -10.376 3.746 257 HB VAL 37 HB VAL 37 -15.679 -8.441 3.359 258 HG11 VAL 37 HG11 VAL 37 -13.315 -7.594 1.852 259 HG12 VAL 37 HG12 VAL 37 -13.927 -7.042 3.413 260 HG13 VAL 37 HG13 VAL 37 -12.953 -8.510 3.315 261 HG21 VAL 37 HG21 VAL 37 -16.567 -8.866 1.205 262 HG22 VAL 37 HG22 VAL 37 -15.592 -7.405 1.056 263 HG23 VAL 37 HG23 VAL 37 -14.962 -8.948 0.480 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.471 -2.714 -0.601 2 HA2 GLY 1 HA2 GLY 1 1.076 -0.841 -0.495 3 HA3 GLY 1 HA3 GLY 1 2.338 0.113 -1.257 4 H ASP 2 H ASP 2 0.304 0.892 -2.383 5 HA ASP 2 HA ASP 2 -1.148 -0.635 -4.184 6 HB2 ASP 2 HB2 ASP 2 -1.333 1.609 -5.468 7 HB3 ASP 2 HB3 ASP 2 -1.972 1.522 -3.829 8 H ILE 3 H ILE 3 -0.652 -1.661 -6.001 9 HA ILE 3 HA ILE 3 2.002 -1.365 -7.130 10 HB ILE 3 HB ILE 3 -0.246 -3.222 -7.921 11 HG12 ILE 3 HG12 ILE 3 1.538 -4.863 -6.851 12 HG13 ILE 3 HG13 ILE 3 2.013 -3.412 -5.974 13 HG21 ILE 3 HG21 ILE 3 1.593 -4.478 -9.065 14 HG22 ILE 3 HG22 ILE 3 1.200 -2.921 -9.793 15 HG23 ILE 3 HG23 ILE 3 2.636 -3.084 -8.783 16 HD11 ILE 3 HD11 ILE 3 -0.075 -3.238 -4.925 17 HD12 ILE 3 HD12 ILE 3 -0.823 -4.379 -6.044 18 HD13 ILE 3 HD13 ILE 3 0.345 -4.949 -4.853 19 H LYS 4 H LYS 4 2.499 -0.250 -8.904 20 HA LYS 4 HA LYS 4 0.564 1.385 -10.194 21 HB2 LYS 4 HB2 LYS 4 2.898 2.086 -9.945 22 HB3 LYS 4 HB3 LYS 4 3.418 0.759 -10.973 23 HG2 LYS 4 HG2 LYS 4 2.582 1.745 -12.893 24 HG3 LYS 4 HG3 LYS 4 1.475 2.787 -11.996 25 HD2 LYS 4 HD2 LYS 4 3.449 4.004 -11.093 26 HD3 LYS 4 HD3 LYS 4 4.480 3.026 -12.139 27 HE2 LYS 4 HE2 LYS 4 3.998 5.208 -13.135 28 HE3 LYS 4 HE3 LYS 4 3.333 3.894 -14.104 29 HZ1 LYS 4 HZ1 LYS 4 1.838 5.860 -13.743 30 HZ2 LYS 4 HZ2 LYS 4 1.720 5.392 -12.122 31 HZ3 LYS 4 HZ3 LYS 4 1.169 4.358 -13.343 32 H CYS 5 H CYS 5 -0.547 1.104 -12.042 33 HA CYS 5 HA CYS 5 0.217 -0.779 -14.054 34 HB2 CYS 5 HB2 CYS 5 -1.802 -2.212 -13.863 35 HB3 CYS 5 HB3 CYS 5 -0.715 -2.377 -12.487 36 H SER 6 H SER 6 -1.957 -1.121 -15.510 37 HA SER 6 HA SER 6 -3.171 1.546 -15.808 38 HB2 SER 6 HB2 SER 6 -2.322 -0.238 -18.099 39 HB3 SER 6 HB3 SER 6 -2.957 1.403 -18.209 40 HG SER 6 HG SER 6 -0.468 0.763 -18.100 41 H GLY 7 H GLY 7 -3.443 -1.858 -16.835 42 HA2 GLY 7 HA2 GLY 7 -6.339 -1.523 -17.104 43 HA3 GLY 7 HA3 GLY 7 -5.400 -2.902 -17.655 44 H THR 8 H THR 8 -7.430 -3.838 -16.530 45 HA THR 8 HA THR 8 -7.353 -3.919 -13.657 46 HB THR 8 HB THR 8 -8.886 -5.929 -15.251 47 HG1 THR 8 HG1 THR 8 -10.501 -4.317 -15.600 48 HG21 THR 8 HG21 THR 8 -8.832 -5.006 -12.572 49 HG22 THR 8 HG22 THR 8 -9.893 -6.221 -13.286 50 HG23 THR 8 HG23 THR 8 -10.381 -4.527 -13.266 51 H ARG 9 H ARG 9 -6.859 -6.366 -16.207 52 HA ARG 9 HA ARG 9 -6.081 -8.482 -14.617 53 HB2 ARG 9 HB2 ARG 9 -6.463 -8.842 -16.947 54 HB3 ARG 9 HB3 ARG 9 -5.201 -7.702 -17.395 55 HG2 ARG 9 HG2 ARG 9 -4.435 -9.956 -17.751 56 HG3 ARG 9 HG3 ARG 9 -3.519 -9.219 -16.435 57 HD2 ARG 9 HD2 ARG 9 -4.692 -10.448 -14.799 58 HD3 ARG 9 HD3 ARG 9 -5.943 -10.928 -15.945 59 HE ARG 9 HE ARG 9 -4.590 -12.636 -16.668 60 HH11 ARG 9 HH11 ARG 9 -2.742 -10.437 -14.702 61 HH12 ARG 9 HH12 ARG 9 -1.356 -11.473 -14.615 62 HH21 ARG 9 HH21 ARG 9 -2.772 -14.010 -16.561 63 HH22 ARG 9 HH22 ARG 9 -1.374 -13.505 -15.673 64 H GLN 10 H GLN 10 -4.086 -5.860 -15.920 65 HA GLN 10 HA GLN 10 -1.575 -6.734 -15.191 66 HB2 GLN 10 HB2 GLN 10 -2.551 -3.882 -14.991 67 HB3 GLN 10 HB3 GLN 10 -0.887 -4.412 -15.197 68 HG2 GLN 10 HG2 GLN 10 -2.212 -5.579 -17.318 69 HG3 GLN 10 HG3 GLN 10 -2.963 -3.992 -17.171 70 HE21 GLN 10 HE21 GLN 10 -0.870 -2.465 -16.313 71 HE22 GLN 10 HE22 GLN 10 0.346 -2.395 -17.539 72 H CYS 11 H CYS 11 -4.120 -5.449 -13.184 73 HA CYS 11 HA CYS 11 -2.412 -5.117 -10.877 74 HB2 CYS 11 HB2 CYS 11 -4.289 -3.601 -11.158 75 HB3 CYS 11 HB3 CYS 11 -5.416 -4.954 -11.191 76 H TRP 12 H TRP 12 -4.804 -7.427 -12.044 77 HA TRP 12 HA TRP 12 -5.136 -8.981 -9.773 78 HB2 TRP 12 HB2 TRP 12 -5.067 -9.868 -12.666 79 HB3 TRP 12 HB3 TRP 12 -5.693 -10.833 -11.331 80 HD1 TRP 12 HD1 TRP 12 -6.820 -7.559 -10.444 81 HE1 TRP 12 HE1 TRP 12 -9.201 -7.078 -11.294 82 HE3 TRP 12 HE3 TRP 12 -7.237 -11.331 -13.870 83 HZ2 TRP 12 HZ2 TRP 12 -11.016 -8.155 -13.168 84 HZ3 TRP 12 HZ3 TRP 12 -9.329 -11.536 -15.149 85 HH2 TRP 12 HH2 TRP 12 -11.178 -9.980 -14.803 86 H GLY 13 H GLY 13 -2.572 -9.081 -12.205 87 HA2 GLY 13 HA2 GLY 13 -1.281 -11.419 -11.534 88 HA3 GLY 13 HA3 GLY 13 -0.457 -9.975 -12.104 89 HA PRO 14 HA PRO 14 1.431 -9.291 -8.211 90 HB2 PRO 14 HB2 PRO 14 1.005 -6.666 -7.670 91 HB3 PRO 14 HB3 PRO 14 2.107 -7.219 -8.936 92 HG2 PRO 14 HG2 PRO 14 -0.711 -6.238 -9.175 93 HG3 PRO 14 HG3 PRO 14 0.692 -5.868 -10.194 94 HD2 PRO 14 HD2 PRO 14 -1.193 -7.674 -10.912 95 HD3 PRO 14 HD3 PRO 14 0.513 -7.838 -11.376 96 H CYS 15 H CYS 15 -1.926 -8.333 -8.442 97 HA CYS 15 HA CYS 15 -2.392 -7.893 -5.685 98 HB2 CYS 15 HB2 CYS 15 -3.907 -7.090 -7.462 99 HB3 CYS 15 HB3 CYS 15 -4.345 -8.755 -7.829 100 H LYS 16 H LYS 16 -2.379 -10.756 -7.695 101 HA LYS 16 HA LYS 16 -3.641 -12.470 -5.793 102 HB2 LYS 16 HB2 LYS 16 -3.068 -12.683 -8.441 103 HB3 LYS 16 HB3 LYS 16 -1.797 -13.685 -7.753 104 HG2 LYS 16 HG2 LYS 16 -4.698 -14.040 -7.058 105 HG3 LYS 16 HG3 LYS 16 -3.926 -14.865 -8.413 106 HD2 LYS 16 HD2 LYS 16 -2.996 -15.028 -5.547 107 HD3 LYS 16 HD3 LYS 16 -4.011 -16.233 -6.345 108 HE2 LYS 16 HE2 LYS 16 -2.132 -16.326 -8.105 109 HE3 LYS 16 HE3 LYS 16 -1.149 -15.516 -6.887 110 HZ1 LYS 16 HZ1 LYS 16 -2.463 -18.165 -6.665 111 HZ2 LYS 16 HZ2 LYS 16 -1.760 -17.363 -5.352 112 HZ3 LYS 16 HZ3 LYS 16 -0.803 -17.837 -6.664 113 H LYS 17 H LYS 17 -0.290 -11.719 -6.620 114 HA LYS 17 HA LYS 17 0.987 -13.656 -5.073 115 HB2 LYS 17 HB2 LYS 17 1.908 -11.850 -6.757 116 HB3 LYS 17 HB3 LYS 17 2.146 -10.907 -5.291 117 HG2 LYS 17 HG2 LYS 17 4.187 -11.999 -5.716 118 HG3 LYS 17 HG3 LYS 17 3.436 -12.869 -4.378 119 HD2 LYS 17 HD2 LYS 17 2.536 -14.489 -6.085 120 HD3 LYS 17 HD3 LYS 17 3.569 -13.691 -7.273 121 HE2 LYS 17 HE2 LYS 17 4.846 -15.503 -6.551 122 HE3 LYS 17 HE3 LYS 17 5.479 -14.146 -5.622 123 HZ1 LYS 17 HZ1 LYS 17 3.302 -15.523 -4.337 124 HZ2 LYS 17 HZ2 LYS 17 4.800 -15.049 -3.712 125 HZ3 LYS 17 HZ3 LYS 17 4.664 -16.497 -4.578 126 H GLN 18 H GLN 18 -0.398 -10.557 -4.179 127 HA GLN 18 HA GLN 18 0.602 -10.785 -1.454 128 HB2 GLN 18 HB2 GLN 18 -0.771 -8.660 -3.038 129 HB3 GLN 18 HB3 GLN 18 -0.895 -8.614 -1.284 130 HG2 GLN 18 HG2 GLN 18 1.683 -8.843 -1.343 131 HG3 GLN 18 HG3 GLN 18 1.517 -8.308 -3.015 132 HE21 GLN 18 HE21 GLN 18 -0.449 -6.475 -2.896 133 HE22 GLN 18 HE22 GLN 18 0.018 -5.144 -1.898 134 H THR 19 H THR 19 -2.504 -10.715 -3.167 135 HA THR 19 HA THR 19 -3.696 -12.167 -0.912 136 HB THR 19 HB THR 19 -5.675 -10.830 -0.890 137 HG1 THR 19 HG1 THR 19 -6.232 -9.687 -2.577 138 HG21 THR 19 HG21 THR 19 -3.280 -9.903 -0.014 139 HG22 THR 19 HG22 THR 19 -4.821 -9.096 0.279 140 HG23 THR 19 HG23 THR 19 -3.791 -8.573 -1.053 141 H THR 20 H THR 20 -4.583 -13.986 -1.611 142 HA THR 20 HA THR 20 -4.709 -14.913 -4.163 143 HB THR 20 HB THR 20 -6.637 -16.389 -3.380 144 HG1 THR 20 HG1 THR 20 -7.619 -15.718 -1.638 145 HG21 THR 20 HG21 THR 20 -4.736 -16.821 -1.259 146 HG22 THR 20 HG22 THR 20 -3.905 -16.404 -2.757 147 HG23 THR 20 HG23 THR 20 -5.017 -17.771 -2.717 148 H CYS 21 H CYS 21 -7.072 -12.876 -2.544 149 HA CYS 21 HA CYS 21 -9.081 -13.076 -4.545 150 HB2 CYS 21 HB2 CYS 21 -8.569 -11.109 -2.321 151 HB3 CYS 21 HB3 CYS 21 -9.920 -10.925 -3.434 152 H THR 22 H THR 22 -8.251 -12.675 -6.566 153 HA THR 22 HA THR 22 -6.564 -10.496 -7.206 154 HB THR 22 HB THR 22 -7.539 -10.983 -9.601 155 HG1 THR 22 HG1 THR 22 -8.944 -12.555 -9.661 156 HG21 THR 22 HG21 THR 22 -5.389 -11.687 -9.464 157 HG22 THR 22 HG22 THR 22 -6.145 -13.280 -9.399 158 HG23 THR 22 HG23 THR 22 -5.637 -12.483 -7.910 159 H ASN 23 H ASN 23 -9.982 -10.783 -6.800 160 HA ASN 23 HA ASN 23 -11.032 -8.815 -8.389 161 HB2 ASN 23 HB2 ASN 23 -12.148 -10.360 -6.596 162 HB3 ASN 23 HB3 ASN 23 -11.896 -8.988 -5.521 163 HD21 ASN 23 HD21 ASN 23 -13.363 -7.430 -5.511 164 HD22 ASN 23 HD22 ASN 23 -14.621 -7.228 -6.678 165 H SER 24 H SER 24 -10.070 -6.908 -8.745 166 HA SER 24 HA SER 24 -9.873 -5.039 -6.532 167 HB2 SER 24 HB2 SER 24 -7.643 -6.153 -6.626 168 HB3 SER 24 HB3 SER 24 -7.468 -5.590 -8.288 169 HG SER 24 HG SER 24 -7.974 -3.817 -6.145 170 H LYS 25 H LYS 25 -9.005 -2.843 -7.478 171 HA LYS 25 HA LYS 25 -10.036 -2.444 -10.197 172 HB2 LYS 25 HB2 LYS 25 -11.009 -1.188 -7.678 173 HB3 LYS 25 HB3 LYS 25 -10.923 -0.177 -9.114 174 HG2 LYS 25 HG2 LYS 25 -12.220 -2.141 -10.232 175 HG3 LYS 25 HG3 LYS 25 -12.639 -2.554 -8.568 176 HD2 LYS 25 HD2 LYS 25 -13.863 -0.627 -8.256 177 HD3 LYS 25 HD3 LYS 25 -12.977 0.262 -9.498 178 HE2 LYS 25 HE2 LYS 25 -15.030 -0.102 -10.507 179 HE3 LYS 25 HE3 LYS 25 -14.056 -1.431 -11.132 180 HZ1 LYS 25 HZ1 LYS 25 -16.466 -1.635 -9.840 181 HZ2 LYS 25 HZ2 LYS 25 -15.334 -2.133 -8.687 182 HZ3 LYS 25 HZ3 LYS 25 -15.403 -2.903 -10.191 183 H CYS 26 H CYS 26 -8.497 -1.532 -11.371 184 HA CYS 26 HA CYS 26 -6.313 -0.117 -10.098 185 HB2 CYS 26 HB2 CYS 26 -6.231 -1.793 -12.123 186 HB3 CYS 26 HB3 CYS 26 -6.605 -0.356 -13.068 187 H MET 27 H MET 27 -6.831 1.901 -9.472 188 HA MET 27 HA MET 27 -7.975 3.693 -11.513 189 HB2 MET 27 HB2 MET 27 -8.873 5.010 -9.527 190 HB3 MET 27 HB3 MET 27 -9.668 3.482 -9.883 191 HG2 MET 27 HG2 MET 27 -8.837 2.452 -8.011 192 HG3 MET 27 HG3 MET 27 -7.445 3.527 -7.906 193 HE1 MET 27 HE1 MET 27 -9.345 3.484 -4.729 194 HE2 MET 27 HE2 MET 27 -7.843 3.189 -5.606 195 HE3 MET 27 HE3 MET 27 -8.143 4.766 -4.873 196 H ASN 28 H ASN 28 -7.008 5.653 -11.812 197 HA ASN 28 HA ASN 28 -5.317 7.174 -11.846 198 HB2 ASN 28 HB2 ASN 28 -5.523 6.611 -8.889 199 HB3 ASN 28 HB3 ASN 28 -4.437 7.834 -9.542 200 HD21 ASN 28 HD21 ASN 28 -5.363 9.662 -8.860 201 HD22 ASN 28 HD22 ASN 28 -6.978 10.151 -9.235 202 H GLY 29 H GLY 29 -4.612 4.440 -12.356 203 HA2 GLY 29 HA2 GLY 29 -2.709 3.214 -12.738 204 HA3 GLY 29 HA3 GLY 29 -1.798 4.655 -12.309 205 H LYS 30 H LYS 30 -4.053 3.264 -10.060 206 HA LYS 30 HA LYS 30 -1.801 2.161 -8.512 207 HB2 LYS 30 HB2 LYS 30 -4.225 3.434 -7.257 208 HB3 LYS 30 HB3 LYS 30 -2.697 3.015 -6.492 209 HG2 LYS 30 HG2 LYS 30 -1.653 4.742 -8.067 210 HG3 LYS 30 HG3 LYS 30 -3.307 5.293 -8.340 211 HD2 LYS 30 HD2 LYS 30 -2.361 6.632 -6.597 212 HD3 LYS 30 HD3 LYS 30 -3.548 5.549 -5.866 213 HE2 LYS 30 HE2 LYS 30 -1.920 4.228 -4.875 214 HE3 LYS 30 HE3 LYS 30 -0.667 4.753 -5.999 215 HZ1 LYS 30 HZ1 LYS 30 -0.116 6.431 -4.673 216 HZ2 LYS 30 HZ2 LYS 30 -1.071 5.711 -3.477 217 HZ3 LYS 30 HZ3 LYS 30 -1.722 6.920 -4.463 218 H CYS 31 H CYS 31 -2.148 0.252 -7.423 219 HA CYS 31 HA CYS 31 -4.630 -1.156 -8.127 220 HB2 CYS 31 HB2 CYS 31 -2.682 -2.275 -8.983 221 HB3 CYS 31 HB3 CYS 31 -1.879 -2.188 -7.420 222 H LYS 32 H LYS 32 -6.086 -1.177 -6.555 223 HA LYS 32 HA LYS 32 -5.151 -1.375 -3.768 224 HB2 LYS 32 HB2 LYS 32 -6.350 0.666 -4.053 225 HB3 LYS 32 HB3 LYS 32 -7.636 -0.135 -4.946 226 HG2 LYS 32 HG2 LYS 32 -8.298 0.462 -2.660 227 HG3 LYS 32 HG3 LYS 32 -8.367 -1.278 -2.951 228 HD2 LYS 32 HD2 LYS 32 -6.645 -1.722 -1.532 229 HD3 LYS 32 HD3 LYS 32 -5.834 -0.190 -1.863 230 HE2 LYS 32 HE2 LYS 32 -6.616 -0.138 0.395 231 HE3 LYS 32 HE3 LYS 32 -7.624 0.954 -0.554 232 HZ1 LYS 32 HZ1 LYS 32 -8.636 -1.737 -0.420 233 HZ2 LYS 32 HZ2 LYS 32 -9.433 -0.268 -0.163 234 HZ3 LYS 32 HZ3 LYS 32 -8.546 -0.978 1.089 235 H CYS 33 H CYS 33 -5.092 -3.556 -3.461 236 HA CYS 33 HA CYS 33 -6.957 -5.406 -4.455 237 HB2 CYS 33 HB2 CYS 33 -4.860 -5.441 -2.335 238 HB3 CYS 33 HB3 CYS 33 -6.044 -6.743 -2.343 239 H TYR 34 H TYR 34 -8.960 -5.904 -3.854 240 HA TYR 34 HA TYR 34 -10.229 -4.484 -1.718 241 HB2 TYR 34 HB2 TYR 34 -11.165 -6.607 -3.641 242 HB3 TYR 34 HB3 TYR 34 -12.202 -5.985 -2.362 243 HD1 TYR 34 HD1 TYR 34 -12.085 -5.814 -5.624 244 HD2 TYR 34 HD2 TYR 34 -11.538 -3.123 -2.374 245 HE1 TYR 34 HE1 TYR 34 -12.735 -3.937 -7.075 246 HE2 TYR 34 HE2 TYR 34 -12.189 -1.240 -3.815 247 HH TYR 34 HH TYR 34 -12.270 -0.685 -6.193 248 H GLY 35 H GLY 35 -9.030 -7.752 -2.203 249 HA2 GLY 35 HA2 GLY 35 -8.431 -9.306 -0.589 250 HA3 GLY 35 HA3 GLY 35 -9.026 -8.205 0.646 251 H CYS 36 H CYS 36 -9.579 -10.710 1.149 252 HA CYS 36 HA CYS 36 -12.162 -11.431 0.015 253 HB2 CYS 36 HB2 CYS 36 -10.511 -12.863 2.106 254 HB3 CYS 36 HB3 CYS 36 -11.921 -13.508 1.270 255 H VAL 37 H VAL 37 -14.012 -10.812 0.897 256 HA VAL 37 HA VAL 37 -14.067 -10.204 3.782 257 HB VAL 37 HB VAL 37 -15.803 -8.497 3.296 258 HG11 VAL 37 HG11 VAL 37 -14.265 -6.793 2.439 259 HG12 VAL 37 HG12 VAL 37 -13.482 -7.833 3.631 260 HG13 VAL 37 HG13 VAL 37 -13.158 -8.059 1.912 261 HG21 VAL 37 HG21 VAL 37 -16.137 -9.665 0.924 262 HG22 VAL 37 HG22 VAL 37 -16.538 -7.972 1.210 263 HG23 VAL 37 HG23 VAL 37 -15.008 -8.398 0.443 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.670 -1.103 -0.015 2 HA2 GLY 1 HA2 GLY 1 2.250 0.991 -1.187 3 HA3 GLY 1 HA3 GLY 1 3.614 0.123 -1.873 4 H ASP 2 H ASP 2 0.899 1.441 -2.800 5 HA ASP 2 HA ASP 2 -0.594 -0.546 -4.095 6 HB2 ASP 2 HB2 ASP 2 -1.312 1.371 -5.610 7 HB3 ASP 2 HB3 ASP 2 -1.583 1.598 -3.885 8 H ILE 3 H ILE 3 -0.404 -1.579 -6.008 9 HA ILE 3 HA ILE 3 2.159 -1.464 -7.337 10 HB ILE 3 HB ILE 3 -0.261 -3.163 -7.951 11 HG12 ILE 3 HG12 ILE 3 1.467 -4.910 -6.951 12 HG13 ILE 3 HG13 ILE 3 2.081 -3.482 -6.126 13 HG21 ILE 3 HG21 ILE 3 2.513 -3.079 -9.072 14 HG22 ILE 3 HG22 ILE 3 1.590 -4.581 -9.065 15 HG23 ILE 3 HG23 ILE 3 0.969 -3.169 -9.919 16 HD11 ILE 3 HD11 ILE 3 -0.096 -5.111 -5.409 17 HD12 ILE 3 HD12 ILE 3 0.480 -3.643 -4.617 18 HD13 ILE 3 HD13 ILE 3 -0.753 -3.541 -5.874 19 H LYS 4 H LYS 4 2.610 -0.296 -9.078 20 HA LYS 4 HA LYS 4 0.673 1.371 -10.315 21 HB2 LYS 4 HB2 LYS 4 3.039 2.005 -10.129 22 HB3 LYS 4 HB3 LYS 4 3.482 0.685 -11.202 23 HG2 LYS 4 HG2 LYS 4 3.453 2.361 -12.719 24 HG3 LYS 4 HG3 LYS 4 1.745 1.917 -12.793 25 HD2 LYS 4 HD2 LYS 4 1.324 3.671 -11.039 26 HD3 LYS 4 HD3 LYS 4 2.994 4.194 -11.264 27 HE2 LYS 4 HE2 LYS 4 0.961 4.034 -13.483 28 HE3 LYS 4 HE3 LYS 4 1.304 5.500 -12.565 29 HZ1 LYS 4 HZ1 LYS 4 2.885 4.184 -14.616 30 HZ2 LYS 4 HZ2 LYS 4 3.756 4.816 -13.312 31 HZ3 LYS 4 HZ3 LYS 4 2.760 5.827 -14.233 32 H CYS 5 H CYS 5 -0.463 1.140 -12.164 33 HA CYS 5 HA CYS 5 0.186 -0.717 -14.213 34 HB2 CYS 5 HB2 CYS 5 -1.766 -2.216 -13.945 35 HB3 CYS 5 HB3 CYS 5 -0.622 -2.362 -12.614 36 H SER 6 H SER 6 -1.969 -1.048 -15.623 37 HA SER 6 HA SER 6 -3.304 1.577 -15.760 38 HB2 SER 6 HB2 SER 6 -2.131 -0.087 -17.986 39 HB3 SER 6 HB3 SER 6 -3.340 1.161 -18.290 40 HG SER 6 HG SER 6 -0.817 1.557 -18.183 41 H GLY 7 H GLY 7 -3.520 -1.786 -16.935 42 HA2 GLY 7 HA2 GLY 7 -6.419 -1.549 -17.120 43 HA3 GLY 7 HA3 GLY 7 -5.450 -2.918 -17.644 44 H THR 8 H THR 8 -7.493 -3.823 -16.467 45 HA THR 8 HA THR 8 -7.342 -3.864 -13.595 46 HB THR 8 HB THR 8 -8.947 -5.875 -15.116 47 HG1 THR 8 HG1 THR 8 -9.769 -4.268 -16.240 48 HG21 THR 8 HG21 THR 8 -10.374 -4.420 -13.121 49 HG22 THR 8 HG22 THR 8 -8.812 -4.898 -12.457 50 HG23 THR 8 HG23 THR 8 -9.899 -6.118 -13.119 51 H ARG 9 H ARG 9 -6.928 -6.331 -16.137 52 HA ARG 9 HA ARG 9 -6.151 -8.452 -14.553 53 HB2 ARG 9 HB2 ARG 9 -6.591 -8.487 -17.034 54 HB3 ARG 9 HB3 ARG 9 -4.977 -7.827 -17.264 55 HG2 ARG 9 HG2 ARG 9 -4.046 -9.812 -16.119 56 HG3 ARG 9 HG3 ARG 9 -5.677 -10.480 -16.026 57 HD2 ARG 9 HD2 ARG 9 -4.626 -9.596 -18.672 58 HD3 ARG 9 HD3 ARG 9 -4.050 -11.120 -17.994 59 HE ARG 9 HE ARG 9 -6.846 -11.081 -17.849 60 HH11 ARG 9 HH11 ARG 9 -4.309 -11.212 -20.230 61 HH12 ARG 9 HH12 ARG 9 -5.259 -12.091 -21.382 62 HH21 ARG 9 HH21 ARG 9 -8.107 -12.236 -19.358 63 HH22 ARG 9 HH22 ARG 9 -7.419 -12.672 -20.886 64 H GLN 10 H GLN 10 -4.152 -5.848 -15.883 65 HA GLN 10 HA GLN 10 -1.637 -6.747 -15.202 66 HB2 GLN 10 HB2 GLN 10 -2.846 -4.019 -15.421 67 HB3 GLN 10 HB3 GLN 10 -1.205 -4.184 -14.811 68 HG2 GLN 10 HG2 GLN 10 -1.945 -5.535 -17.358 69 HG3 GLN 10 HG3 GLN 10 -1.663 -3.795 -17.353 70 HE21 GLN 10 HE21 GLN 10 0.346 -3.139 -17.628 71 HE22 GLN 10 HE22 GLN 10 1.767 -4.098 -17.413 72 H CYS 11 H CYS 11 -4.133 -5.445 -13.143 73 HA CYS 11 HA CYS 11 -2.378 -5.154 -10.864 74 HB2 CYS 11 HB2 CYS 11 -4.225 -3.602 -11.084 75 HB3 CYS 11 HB3 CYS 11 -5.382 -4.928 -11.142 76 H TRP 12 H TRP 12 -4.826 -7.419 -12.006 77 HA TRP 12 HA TRP 12 -5.144 -8.981 -9.738 78 HB2 TRP 12 HB2 TRP 12 -5.139 -9.853 -12.636 79 HB3 TRP 12 HB3 TRP 12 -5.761 -10.812 -11.296 80 HD1 TRP 12 HD1 TRP 12 -6.813 -7.523 -10.376 81 HE1 TRP 12 HE1 TRP 12 -9.198 -6.993 -11.186 82 HE3 TRP 12 HE3 TRP 12 -7.352 -11.267 -13.815 83 HZ2 TRP 12 HZ2 TRP 12 -11.060 -8.026 -13.039 84 HZ3 TRP 12 HZ3 TRP 12 -9.467 -11.427 -15.063 85 HH2 TRP 12 HH2 TRP 12 -11.281 -9.839 -14.682 86 H GLY 13 H GLY 13 -2.622 -9.099 -12.212 87 HA2 GLY 13 HA2 GLY 13 -1.358 -11.464 -11.582 88 HA3 GLY 13 HA3 GLY 13 -0.521 -10.029 -12.156 89 HA PRO 14 HA PRO 14 1.446 -9.403 -8.291 90 HB2 PRO 14 HB2 PRO 14 1.069 -6.775 -7.726 91 HB3 PRO 14 HB3 PRO 14 2.141 -7.337 -9.014 92 HG2 PRO 14 HG2 PRO 14 -0.665 -6.311 -9.196 93 HG3 PRO 14 HG3 PRO 14 0.725 -5.954 -10.237 94 HD2 PRO 14 HD2 PRO 14 -1.200 -7.726 -10.935 95 HD3 PRO 14 HD3 PRO 14 0.495 -7.913 -11.429 96 H CYS 15 H CYS 15 -1.895 -8.364 -8.451 97 HA CYS 15 HA CYS 15 -2.311 -7.939 -5.690 98 HB2 CYS 15 HB2 CYS 15 -3.849 -7.116 -7.435 99 HB3 CYS 15 HB3 CYS 15 -4.308 -8.775 -7.804 100 H LYS 16 H LYS 16 -2.442 -10.799 -7.719 101 HA LYS 16 HA LYS 16 -3.708 -12.517 -5.871 102 HB2 LYS 16 HB2 LYS 16 -2.972 -12.743 -8.468 103 HB3 LYS 16 HB3 LYS 16 -1.712 -13.702 -7.704 104 HG2 LYS 16 HG2 LYS 16 -4.620 -14.151 -7.122 105 HG3 LYS 16 HG3 LYS 16 -3.801 -14.920 -8.484 106 HD2 LYS 16 HD2 LYS 16 -2.893 -15.126 -5.614 107 HD3 LYS 16 HD3 LYS 16 -3.898 -16.328 -6.429 108 HE2 LYS 16 HE2 LYS 16 -1.088 -15.504 -7.147 109 HE3 LYS 16 HE3 LYS 16 -1.609 -17.057 -6.495 110 HZ1 LYS 16 HZ1 LYS 16 -1.450 -17.523 -8.715 111 HZ2 LYS 16 HZ2 LYS 16 -1.937 -15.979 -9.206 112 HZ3 LYS 16 HZ3 LYS 16 -3.081 -17.080 -8.621 113 H LYS 17 H LYS 17 -0.309 -11.760 -6.484 114 HA LYS 17 HA LYS 17 0.883 -13.664 -4.848 115 HB2 LYS 17 HB2 LYS 17 1.995 -12.010 -6.445 116 HB3 LYS 17 HB3 LYS 17 1.895 -10.838 -5.138 117 HG2 LYS 17 HG2 LYS 17 4.029 -11.670 -4.897 118 HG3 LYS 17 HG3 LYS 17 3.115 -12.649 -3.747 119 HD2 LYS 17 HD2 LYS 17 2.846 -14.235 -5.837 120 HD3 LYS 17 HD3 LYS 17 4.312 -13.408 -6.368 121 HE2 LYS 17 HE2 LYS 17 4.948 -15.391 -5.183 122 HE3 LYS 17 HE3 LYS 17 5.355 -13.993 -4.187 123 HZ1 LYS 17 HZ1 LYS 17 3.700 -16.174 -3.550 124 HZ2 LYS 17 HZ2 LYS 17 2.764 -14.764 -3.524 125 HZ3 LYS 17 HZ3 LYS 17 4.156 -14.874 -2.569 126 H GLN 18 H GLN 18 -0.082 -10.337 -4.014 127 HA GLN 18 HA GLN 18 0.564 -10.645 -1.251 128 HB2 GLN 18 HB2 GLN 18 -0.836 -8.563 -2.885 129 HB3 GLN 18 HB3 GLN 18 -0.951 -8.505 -1.131 130 HG2 GLN 18 HG2 GLN 18 1.604 -8.631 -1.149 131 HG3 GLN 18 HG3 GLN 18 1.477 -8.227 -2.860 132 HE21 GLN 18 HE21 GLN 18 -0.530 -6.430 -2.926 133 HE22 GLN 18 HE22 GLN 18 -0.113 -5.019 -2.021 134 H THR 19 H THR 19 -2.466 -10.663 -3.098 135 HA THR 19 HA THR 19 -3.719 -12.130 -0.886 136 HB THR 19 HB THR 19 -5.723 -10.839 -0.946 137 HG1 THR 19 HG1 THR 19 -6.066 -9.219 -2.455 138 HG21 THR 19 HG21 THR 19 -3.951 -9.871 0.421 139 HG22 THR 19 HG22 THR 19 -4.936 -8.597 -0.299 140 HG23 THR 19 HG23 THR 19 -3.349 -8.972 -0.971 141 H THR 20 H THR 20 -4.482 -13.987 -1.629 142 HA THR 20 HA THR 20 -4.498 -14.907 -4.184 143 HB THR 20 HB THR 20 -6.243 -16.542 -3.510 144 HG1 THR 20 HG1 THR 20 -7.352 -16.282 -1.667 145 HG21 THR 20 HG21 THR 20 -4.981 -17.521 -1.617 146 HG22 THR 20 HG22 THR 20 -4.071 -16.016 -1.480 147 HG23 THR 20 HG23 THR 20 -3.936 -16.999 -2.937 148 H CYS 21 H CYS 21 -6.985 -12.968 -2.634 149 HA CYS 21 HA CYS 21 -8.923 -13.239 -4.699 150 HB2 CYS 21 HB2 CYS 21 -8.558 -11.328 -2.406 151 HB3 CYS 21 HB3 CYS 21 -9.831 -11.078 -3.595 152 H THR 22 H THR 22 -8.151 -12.757 -6.703 153 HA THR 22 HA THR 22 -6.473 -10.560 -7.302 154 HB THR 22 HB THR 22 -7.529 -11.008 -9.701 155 HG1 THR 22 HG1 THR 22 -9.040 -12.493 -9.480 156 HG21 THR 22 HG21 THR 22 -5.759 -12.479 -10.126 157 HG22 THR 22 HG22 THR 22 -5.830 -13.179 -8.508 158 HG23 THR 22 HG23 THR 22 -5.202 -11.546 -8.737 159 H ASN 23 H ASN 23 -9.891 -10.870 -6.895 160 HA ASN 23 HA ASN 23 -10.952 -8.867 -8.430 161 HB2 ASN 23 HB2 ASN 23 -12.041 -10.462 -6.648 162 HB3 ASN 23 HB3 ASN 23 -11.818 -9.087 -5.571 163 HD21 ASN 23 HD21 ASN 23 -13.160 -7.379 -5.714 164 HD22 ASN 23 HD22 ASN 23 -14.475 -7.265 -6.828 165 H SER 24 H SER 24 -10.002 -6.946 -8.742 166 HA SER 24 HA SER 24 -9.806 -5.131 -6.487 167 HB2 SER 24 HB2 SER 24 -7.575 -6.223 -6.589 168 HB3 SER 24 HB3 SER 24 -7.400 -5.653 -8.248 169 HG SER 24 HG SER 24 -7.048 -3.676 -7.547 170 H LYS 25 H LYS 25 -8.976 -2.907 -7.365 171 HA LYS 25 HA LYS 25 -10.016 -2.451 -10.074 172 HB2 LYS 25 HB2 LYS 25 -10.969 -1.283 -7.519 173 HB3 LYS 25 HB3 LYS 25 -10.828 -0.182 -8.883 174 HG2 LYS 25 HG2 LYS 25 -12.996 -0.886 -9.096 175 HG3 LYS 25 HG3 LYS 25 -12.163 -2.035 -10.146 176 HD2 LYS 25 HD2 LYS 25 -12.007 -3.385 -7.849 177 HD3 LYS 25 HD3 LYS 25 -13.471 -2.455 -7.519 178 HE2 LYS 25 HE2 LYS 25 -14.490 -3.299 -9.557 179 HE3 LYS 25 HE3 LYS 25 -13.014 -4.179 -9.952 180 HZ1 LYS 25 HZ1 LYS 25 -14.073 -5.854 -8.929 181 HZ2 LYS 25 HZ2 LYS 25 -15.107 -4.836 -8.060 182 HZ3 LYS 25 HZ3 LYS 25 -13.532 -5.112 -7.507 183 H CYS 26 H CYS 26 -8.489 -1.532 -11.258 184 HA CYS 26 HA CYS 26 -6.296 -0.118 -9.975 185 HB2 CYS 26 HB2 CYS 26 -6.180 -1.845 -11.955 186 HB3 CYS 26 HB3 CYS 26 -6.540 -0.433 -12.943 187 H MET 27 H MET 27 -6.877 1.904 -9.392 188 HA MET 27 HA MET 27 -7.914 3.658 -11.519 189 HB2 MET 27 HB2 MET 27 -9.088 4.947 -9.763 190 HB3 MET 27 HB3 MET 27 -9.679 3.297 -9.901 191 HG2 MET 27 HG2 MET 27 -8.505 2.637 -7.931 192 HG3 MET 27 HG3 MET 27 -7.673 4.187 -7.848 193 HE1 MET 27 HE1 MET 27 -10.411 6.662 -6.783 194 HE2 MET 27 HE2 MET 27 -8.701 6.312 -6.529 195 HE3 MET 27 HE3 MET 27 -9.350 6.398 -8.168 196 H ASN 28 H ASN 28 -6.953 5.630 -11.759 197 HA ASN 28 HA ASN 28 -5.346 7.233 -11.623 198 HB2 ASN 28 HB2 ASN 28 -6.445 7.248 -9.214 199 HB3 ASN 28 HB3 ASN 28 -4.862 6.643 -8.735 200 HD21 ASN 28 HD21 ASN 28 -5.335 8.866 -7.595 201 HD22 ASN 28 HD22 ASN 28 -4.588 10.221 -8.362 202 H GLY 29 H GLY 29 -4.570 4.578 -12.339 203 HA2 GLY 29 HA2 GLY 29 -2.651 3.388 -12.758 204 HA3 GLY 29 HA3 GLY 29 -1.774 4.838 -12.290 205 H LYS 30 H LYS 30 -3.955 3.310 -10.059 206 HA LYS 30 HA LYS 30 -1.662 2.168 -8.607 207 HB2 LYS 30 HB2 LYS 30 -4.015 3.476 -7.249 208 HB3 LYS 30 HB3 LYS 30 -2.493 2.971 -6.525 209 HG2 LYS 30 HG2 LYS 30 -1.523 4.717 -8.272 210 HG3 LYS 30 HG3 LYS 30 -3.140 5.400 -8.091 211 HD2 LYS 30 HD2 LYS 30 -2.753 5.284 -5.587 212 HD3 LYS 30 HD3 LYS 30 -1.062 4.946 -5.962 213 HE2 LYS 30 HE2 LYS 30 -0.695 7.053 -6.827 214 HE3 LYS 30 HE3 LYS 30 -2.398 7.307 -7.207 215 HZ1 LYS 30 HZ1 LYS 30 -1.090 7.446 -4.553 216 HZ2 LYS 30 HZ2 LYS 30 -2.770 7.362 -4.735 217 HZ3 LYS 30 HZ3 LYS 30 -1.914 8.674 -5.374 218 H CYS 31 H CYS 31 -2.072 0.307 -7.376 219 HA CYS 31 HA CYS 31 -4.530 -1.106 -8.151 220 HB2 CYS 31 HB2 CYS 31 -2.518 -2.237 -8.876 221 HB3 CYS 31 HB3 CYS 31 -1.840 -2.154 -7.254 222 H LYS 32 H LYS 32 -6.055 -1.240 -6.659 223 HA LYS 32 HA LYS 32 -5.248 -1.353 -3.826 224 HB2 LYS 32 HB2 LYS 32 -6.334 0.742 -4.170 225 HB3 LYS 32 HB3 LYS 32 -7.619 -0.003 -5.112 226 HG2 LYS 32 HG2 LYS 32 -8.346 0.639 -2.858 227 HG3 LYS 32 HG3 LYS 32 -8.486 -1.097 -3.144 228 HD2 LYS 32 HD2 LYS 32 -7.571 -0.676 -0.933 229 HD3 LYS 32 HD3 LYS 32 -6.360 -1.449 -1.959 230 HE2 LYS 32 HE2 LYS 32 -5.083 0.458 -2.117 231 HE3 LYS 32 HE3 LYS 32 -6.451 1.528 -1.810 232 HZ1 LYS 32 HZ1 LYS 32 -5.930 -0.163 0.419 233 HZ2 LYS 32 HZ2 LYS 32 -6.009 1.525 0.350 234 HZ3 LYS 32 HZ3 LYS 32 -4.555 0.732 0.006 235 H CYS 33 H CYS 33 -5.308 -3.534 -3.511 236 HA CYS 33 HA CYS 33 -7.219 -5.296 -4.576 237 HB2 CYS 33 HB2 CYS 33 -5.261 -5.437 -2.316 238 HB3 CYS 33 HB3 CYS 33 -6.462 -6.711 -2.493 239 H TYR 34 H TYR 34 -8.968 -6.383 -3.546 240 HA TYR 34 HA TYR 34 -10.388 -4.661 -1.650 241 HB2 TYR 34 HB2 TYR 34 -11.227 -6.672 -3.690 242 HB3 TYR 34 HB3 TYR 34 -12.279 -6.399 -2.305 243 HD1 TYR 34 HD1 TYR 34 -10.326 -4.324 -4.735 244 HD2 TYR 34 HD2 TYR 34 -13.983 -4.892 -2.636 245 HE1 TYR 34 HE1 TYR 34 -11.266 -2.344 -5.850 246 HE2 TYR 34 HE2 TYR 34 -14.934 -2.913 -3.746 247 HH TYR 34 HH TYR 34 -13.173 -0.625 -5.247 248 H GLY 35 H GLY 35 -9.179 -7.938 -2.055 249 HA2 GLY 35 HA2 GLY 35 -8.595 -9.459 -0.406 250 HA3 GLY 35 HA3 GLY 35 -9.193 -8.330 0.801 251 H CYS 36 H CYS 36 -9.593 -11.196 0.685 252 HA CYS 36 HA CYS 36 -12.227 -11.771 -0.221 253 HB2 CYS 36 HB2 CYS 36 -10.595 -13.248 1.855 254 HB3 CYS 36 HB3 CYS 36 -11.973 -13.881 0.961 255 H VAL 37 H VAL 37 -14.040 -11.022 0.633 256 HA VAL 37 HA VAL 37 -14.221 -10.753 3.558 257 HB VAL 37 HB VAL 37 -15.697 -8.753 3.191 258 HG11 VAL 37 HG11 VAL 37 -13.935 -7.394 3.535 259 HG12 VAL 37 HG12 VAL 37 -13.016 -8.901 3.531 260 HG13 VAL 37 HG13 VAL 37 -13.109 -7.919 2.069 261 HG21 VAL 37 HG21 VAL 37 -16.041 -7.814 1.161 262 HG22 VAL 37 HG22 VAL 37 -14.448 -8.271 0.556 263 HG23 VAL 37 HG23 VAL 37 -15.748 -9.462 0.605 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.169 1.564 -0.169 2 HA2 GLY 1 HA2 GLY 1 3.404 0.990 -2.023 3 HA3 GLY 1 HA3 GLY 1 3.341 -0.631 -1.348 4 H ASP 2 H ASP 2 0.785 1.414 -2.731 5 HA ASP 2 HA ASP 2 -0.575 -0.611 -4.032 6 HB2 ASP 2 HB2 ASP 2 -1.390 1.284 -5.567 7 HB3 ASP 2 HB3 ASP 2 -1.699 1.445 -3.840 8 H ILE 3 H ILE 3 -0.402 -1.647 -5.947 9 HA ILE 3 HA ILE 3 2.111 -1.444 -7.352 10 HB ILE 3 HB ILE 3 -0.274 -3.202 -7.943 11 HG12 ILE 3 HG12 ILE 3 1.503 -4.905 -6.932 12 HG13 ILE 3 HG13 ILE 3 2.056 -3.458 -6.096 13 HG21 ILE 3 HG21 ILE 3 0.955 -3.200 -9.904 14 HG22 ILE 3 HG22 ILE 3 2.495 -3.043 -9.060 15 HG23 ILE 3 HG23 ILE 3 1.631 -4.579 -9.036 16 HD11 ILE 3 HD11 ILE 3 -0.839 -4.140 -6.040 17 HD12 ILE 3 HD12 ILE 3 0.284 -5.033 -5.013 18 HD13 ILE 3 HD13 ILE 3 0.144 -3.283 -4.853 19 H LYS 4 H LYS 4 2.479 -0.209 -9.062 20 HA LYS 4 HA LYS 4 0.429 1.353 -10.270 21 HB2 LYS 4 HB2 LYS 4 2.692 2.214 -10.086 22 HB3 LYS 4 HB3 LYS 4 3.307 0.891 -11.069 23 HG2 LYS 4 HG2 LYS 4 1.873 1.746 -12.942 24 HG3 LYS 4 HG3 LYS 4 1.545 3.164 -11.943 25 HD2 LYS 4 HD2 LYS 4 3.334 3.770 -13.363 26 HD3 LYS 4 HD3 LYS 4 4.056 3.460 -11.782 27 HE2 LYS 4 HE2 LYS 4 5.426 2.449 -13.480 28 HE3 LYS 4 HE3 LYS 4 4.637 1.177 -12.549 29 HZ1 LYS 4 HZ1 LYS 4 3.429 0.515 -14.311 30 HZ2 LYS 4 HZ2 LYS 4 4.670 1.240 -15.201 31 HZ3 LYS 4 HZ3 LYS 4 3.229 2.080 -14.925 32 H CYS 5 H CYS 5 -0.586 1.145 -12.215 33 HA CYS 5 HA CYS 5 0.188 -0.704 -14.224 34 HB2 CYS 5 HB2 CYS 5 -1.840 -2.183 -14.025 35 HB3 CYS 5 HB3 CYS 5 -0.637 -2.408 -12.758 36 H SER 6 H SER 6 -1.801 -1.037 -15.794 37 HA SER 6 HA SER 6 -3.161 1.569 -16.007 38 HB2 SER 6 HB2 SER 6 -2.310 -0.229 -18.289 39 HB3 SER 6 HB3 SER 6 -3.023 1.379 -18.424 40 HG SER 6 HG SER 6 -0.434 0.646 -17.925 41 H GLY 7 H GLY 7 -3.419 -1.833 -17.053 42 HA2 GLY 7 HA2 GLY 7 -6.310 -1.549 -17.297 43 HA3 GLY 7 HA3 GLY 7 -5.358 -2.952 -17.760 44 H THR 8 H THR 8 -7.423 -3.799 -16.592 45 HA THR 8 HA THR 8 -7.324 -3.740 -13.716 46 HB THR 8 HB THR 8 -8.935 -5.718 -15.305 47 HG1 THR 8 HG1 THR 8 -9.733 -3.040 -14.760 48 HG21 THR 8 HG21 THR 8 -9.853 -6.129 -13.317 49 HG22 THR 8 HG22 THR 8 -10.329 -4.436 -13.175 50 HG23 THR 8 HG23 THR 8 -8.756 -4.963 -12.576 51 H ARG 9 H ARG 9 -6.920 -6.310 -16.158 52 HA ARG 9 HA ARG 9 -6.185 -8.376 -14.484 53 HB2 ARG 9 HB2 ARG 9 -4.979 -9.320 -16.444 54 HB3 ARG 9 HB3 ARG 9 -6.604 -8.765 -16.826 55 HG2 ARG 9 HG2 ARG 9 -5.637 -7.745 -18.557 56 HG3 ARG 9 HG3 ARG 9 -5.118 -6.547 -17.369 57 HD2 ARG 9 HD2 ARG 9 -2.966 -7.294 -17.352 58 HD3 ARG 9 HD3 ARG 9 -3.427 -8.959 -17.702 59 HE ARG 9 HE ARG 9 -2.705 -6.950 -19.591 60 HH11 ARG 9 HH11 ARG 9 -4.701 -9.764 -19.119 61 HH12 ARG 9 HH12 ARG 9 -4.748 -10.173 -20.802 62 HH21 ARG 9 HH21 ARG 9 -2.760 -7.479 -21.809 63 HH22 ARG 9 HH22 ARG 9 -3.643 -8.873 -22.331 64 H GLN 10 H GLN 10 -4.177 -5.799 -15.823 65 HA GLN 10 HA GLN 10 -1.659 -6.697 -15.151 66 HB2 GLN 10 HB2 GLN 10 -2.829 -3.926 -15.225 67 HB3 GLN 10 HB3 GLN 10 -1.136 -4.199 -14.834 68 HG2 GLN 10 HG2 GLN 10 -1.130 -5.562 -17.051 69 HG3 GLN 10 HG3 GLN 10 -2.577 -4.620 -17.408 70 HE21 GLN 10 HE21 GLN 10 0.771 -4.692 -17.498 71 HE22 GLN 10 HE22 GLN 10 1.056 -3.029 -17.867 72 H CYS 11 H CYS 11 -4.157 -5.413 -13.083 73 HA CYS 11 HA CYS 11 -2.401 -5.128 -10.803 74 HB2 CYS 11 HB2 CYS 11 -4.258 -3.582 -11.025 75 HB3 CYS 11 HB3 CYS 11 -5.406 -4.916 -11.070 76 H TRP 12 H TRP 12 -4.854 -7.388 -11.948 77 HA TRP 12 HA TRP 12 -5.159 -8.966 -9.688 78 HB2 TRP 12 HB2 TRP 12 -5.171 -9.817 -12.592 79 HB3 TRP 12 HB3 TRP 12 -5.781 -10.788 -11.255 80 HD1 TRP 12 HD1 TRP 12 -6.834 -7.508 -10.301 81 HE1 TRP 12 HE1 TRP 12 -9.226 -6.977 -11.089 82 HE3 TRP 12 HE3 TRP 12 -7.392 -11.228 -13.763 83 HZ2 TRP 12 HZ2 TRP 12 -11.101 -8.001 -12.933 84 HZ3 TRP 12 HZ3 TRP 12 -9.516 -11.384 -14.995 85 HH2 TRP 12 HH2 TRP 12 -11.331 -9.803 -14.587 86 H GLY 13 H GLY 13 -2.648 -9.063 -12.174 87 HA2 GLY 13 HA2 GLY 13 -1.380 -11.434 -11.570 88 HA3 GLY 13 HA3 GLY 13 -0.547 -9.994 -12.135 89 HA PRO 14 HA PRO 14 1.437 -9.402 -8.275 90 HB2 PRO 14 HB2 PRO 14 1.068 -6.777 -7.686 91 HB3 PRO 14 HB3 PRO 14 2.133 -7.331 -8.985 92 HG2 PRO 14 HG2 PRO 14 -0.673 -6.299 -9.147 93 HG3 PRO 14 HG3 PRO 14 0.715 -5.937 -10.190 94 HD2 PRO 14 HD2 PRO 14 -1.215 -7.700 -10.894 95 HD3 PRO 14 HD3 PRO 14 0.477 -7.886 -11.398 96 H CYS 15 H CYS 15 -1.901 -8.349 -8.411 97 HA CYS 15 HA CYS 15 -2.304 -7.949 -5.645 98 HB2 CYS 15 HB2 CYS 15 -3.844 -7.107 -7.385 99 HB3 CYS 15 HB3 CYS 15 -4.318 -8.762 -7.751 100 H LYS 16 H LYS 16 -2.462 -10.790 -7.701 101 HA LYS 16 HA LYS 16 -3.724 -12.519 -5.863 102 HB2 LYS 16 HB2 LYS 16 -3.005 -12.723 -8.465 103 HB3 LYS 16 HB3 LYS 16 -1.745 -13.696 -7.718 104 HG2 LYS 16 HG2 LYS 16 -4.653 -14.136 -7.124 105 HG3 LYS 16 HG3 LYS 16 -3.845 -14.896 -8.498 106 HD2 LYS 16 HD2 LYS 16 -2.923 -15.133 -5.635 107 HD3 LYS 16 HD3 LYS 16 -3.937 -16.322 -6.456 108 HE2 LYS 16 HE2 LYS 16 -1.127 -15.506 -7.179 109 HE3 LYS 16 HE3 LYS 16 -1.653 -17.062 -6.540 110 HZ1 LYS 16 HZ1 LYS 16 -3.077 -17.201 -8.617 111 HZ2 LYS 16 HZ2 LYS 16 -1.410 -17.394 -8.822 112 HZ3 LYS 16 HZ3 LYS 16 -2.146 -15.925 -9.224 113 H LYS 17 H LYS 17 -0.325 -11.772 -6.488 114 HA LYS 17 HA LYS 17 0.869 -13.697 -4.878 115 HB2 LYS 17 HB2 LYS 17 2.008 -12.081 -6.458 116 HB3 LYS 17 HB3 LYS 17 1.865 -10.865 -5.195 117 HG2 LYS 17 HG2 LYS 17 4.061 -11.791 -5.107 118 HG3 LYS 17 HG3 LYS 17 3.167 -12.353 -3.692 119 HD2 LYS 17 HD2 LYS 17 2.794 -14.499 -4.715 120 HD3 LYS 17 HD3 LYS 17 3.502 -13.944 -6.234 121 HE2 LYS 17 HE2 LYS 17 5.144 -13.774 -3.757 122 HE3 LYS 17 HE3 LYS 17 4.893 -15.359 -4.487 123 HZ1 LYS 17 HZ1 LYS 17 6.146 -14.838 -6.272 124 HZ2 LYS 17 HZ2 LYS 17 6.861 -13.748 -5.195 125 HZ3 LYS 17 HZ3 LYS 17 5.684 -13.210 -6.285 126 H GLN 18 H GLN 18 -0.077 -10.374 -4.005 127 HA GLN 18 HA GLN 18 0.582 -10.713 -1.250 128 HB2 GLN 18 HB2 GLN 18 -0.763 -8.606 -2.880 129 HB3 GLN 18 HB3 GLN 18 -0.971 -8.572 -1.134 130 HG2 GLN 18 HG2 GLN 18 1.778 -8.828 -2.233 131 HG3 GLN 18 HG3 GLN 18 0.975 -7.261 -2.311 132 HE21 GLN 18 HE21 GLN 18 0.053 -6.473 -0.242 133 HE22 GLN 18 HE22 GLN 18 0.946 -6.779 1.205 134 H THR 19 H THR 19 -2.458 -10.697 -3.077 135 HA THR 19 HA THR 19 -3.704 -12.183 -0.874 136 HB THR 19 HB THR 19 -5.699 -10.881 -0.902 137 HG1 THR 19 HG1 THR 19 -6.232 -9.661 -2.556 138 HG21 THR 19 HG21 THR 19 -4.940 -8.737 -0.117 139 HG22 THR 19 HG22 THR 19 -3.414 -8.912 -0.984 140 HG23 THR 19 HG23 THR 19 -3.775 -9.959 0.388 141 H THR 20 H THR 20 -4.488 -14.026 -1.633 142 HA THR 20 HA THR 20 -4.523 -14.916 -4.199 143 HB THR 20 HB THR 20 -6.420 -16.466 -3.487 144 HG1 THR 20 HG1 THR 20 -7.283 -16.204 -1.539 145 HG21 THR 20 HG21 THR 20 -4.430 -16.702 -1.342 146 HG22 THR 20 HG22 THR 20 -3.744 -16.524 -2.957 147 HG23 THR 20 HG23 THR 20 -4.865 -17.842 -2.614 148 H CYS 21 H CYS 21 -6.987 -12.976 -2.613 149 HA CYS 21 HA CYS 21 -8.945 -13.213 -4.659 150 HB2 CYS 21 HB2 CYS 21 -8.533 -11.281 -2.387 151 HB3 CYS 21 HB3 CYS 21 -9.841 -11.068 -3.545 152 H THR 22 H THR 22 -8.143 -12.753 -6.665 153 HA THR 22 HA THR 22 -6.473 -10.552 -7.268 154 HB THR 22 HB THR 22 -7.520 -11.021 -9.670 155 HG1 THR 22 HG1 THR 22 -8.085 -13.330 -9.677 156 HG21 THR 22 HG21 THR 22 -5.798 -13.160 -8.450 157 HG22 THR 22 HG22 THR 22 -5.190 -11.524 -8.709 158 HG23 THR 22 HG23 THR 22 -5.739 -12.488 -10.080 159 H ASN 23 H ASN 23 -9.890 -10.873 -6.872 160 HA ASN 23 HA ASN 23 -10.956 -8.887 -8.426 161 HB2 ASN 23 HB2 ASN 23 -12.041 -10.472 -6.632 162 HB3 ASN 23 HB3 ASN 23 -11.828 -9.086 -5.567 163 HD21 ASN 23 HD21 ASN 23 -13.316 -7.545 -5.592 164 HD22 ASN 23 HD22 ASN 23 -14.575 -7.387 -6.764 165 H SER 24 H SER 24 -10.012 -6.965 -8.751 166 HA SER 24 HA SER 24 -9.846 -5.121 -6.521 167 HB2 SER 24 HB2 SER 24 -7.616 -6.192 -6.534 168 HB3 SER 24 HB3 SER 24 -7.405 -5.707 -8.217 169 HG SER 24 HG SER 24 -7.131 -3.668 -7.618 170 H LYS 25 H LYS 25 -9.054 -2.904 -7.387 171 HA LYS 25 HA LYS 25 -10.004 -2.490 -10.137 172 HB2 LYS 25 HB2 LYS 25 -11.019 -1.263 -7.622 173 HB3 LYS 25 HB3 LYS 25 -10.905 -0.230 -9.041 174 HG2 LYS 25 HG2 LYS 25 -12.255 -2.880 -9.261 175 HG3 LYS 25 HG3 LYS 25 -13.105 -1.521 -8.522 176 HD2 LYS 25 HD2 LYS 25 -12.401 -0.216 -10.630 177 HD3 LYS 25 HD3 LYS 25 -12.079 -1.805 -11.327 178 HE2 LYS 25 HE2 LYS 25 -14.709 -1.045 -10.072 179 HE3 LYS 25 HE3 LYS 25 -14.364 -0.845 -11.789 180 HZ1 LYS 25 HZ1 LYS 25 -13.645 -3.416 -11.288 181 HZ2 LYS 25 HZ2 LYS 25 -15.103 -2.921 -11.990 182 HZ3 LYS 25 HZ3 LYS 25 -15.024 -3.222 -10.327 183 H CYS 26 H CYS 26 -8.452 -1.563 -11.284 184 HA CYS 26 HA CYS 26 -6.308 -0.124 -9.955 185 HB2 CYS 26 HB2 CYS 26 -6.141 -1.844 -11.939 186 HB3 CYS 26 HB3 CYS 26 -6.482 -0.427 -12.928 187 H MET 27 H MET 27 -6.874 1.901 -9.394 188 HA MET 27 HA MET 27 -7.910 3.645 -11.529 189 HB2 MET 27 HB2 MET 27 -9.073 4.946 -9.748 190 HB3 MET 27 HB3 MET 27 -9.697 3.314 -9.953 191 HG2 MET 27 HG2 MET 27 -8.696 2.563 -7.970 192 HG3 MET 27 HG3 MET 27 -7.654 3.980 -7.864 193 HE1 MET 27 HE1 MET 27 -9.457 5.425 -4.971 194 HE2 MET 27 HE2 MET 27 -8.610 3.889 -5.157 195 HE3 MET 27 HE3 MET 27 -7.987 5.342 -5.941 196 H ASN 28 H ASN 28 -6.953 5.617 -11.772 197 HA ASN 28 HA ASN 28 -5.359 7.232 -11.624 198 HB2 ASN 28 HB2 ASN 28 -5.147 6.509 -8.698 199 HB3 ASN 28 HB3 ASN 28 -4.754 8.050 -9.453 200 HD21 ASN 28 HD21 ASN 28 -6.702 8.940 -10.768 201 HD22 ASN 28 HD22 ASN 28 -8.204 8.947 -9.916 202 H GLY 29 H GLY 29 -4.568 4.582 -12.344 203 HA2 GLY 29 HA2 GLY 29 -2.644 3.402 -12.759 204 HA3 GLY 29 HA3 GLY 29 -1.774 4.855 -12.290 205 H LYS 30 H LYS 30 -3.950 3.315 -10.063 206 HA LYS 30 HA LYS 30 -1.657 2.172 -8.614 207 HB2 LYS 30 HB2 LYS 30 -3.994 3.515 -7.260 208 HB3 LYS 30 HB3 LYS 30 -2.490 2.975 -6.526 209 HG2 LYS 30 HG2 LYS 30 -1.479 4.702 -8.280 210 HG3 LYS 30 HG3 LYS 30 -3.078 5.425 -8.076 211 HD2 LYS 30 HD2 LYS 30 -2.598 5.150 -5.540 212 HD3 LYS 30 HD3 LYS 30 -0.914 5.005 -6.048 213 HE2 LYS 30 HE2 LYS 30 -2.569 7.272 -7.063 214 HE3 LYS 30 HE3 LYS 30 -1.920 7.340 -5.425 215 HZ1 LYS 30 HZ1 LYS 30 0.057 7.881 -6.223 216 HZ2 LYS 30 HZ2 LYS 30 -0.608 7.969 -7.776 217 HZ3 LYS 30 HZ3 LYS 30 0.092 6.526 -7.237 218 H CYS 31 H CYS 31 -2.068 0.312 -7.389 219 HA CYS 31 HA CYS 31 -4.544 -1.083 -8.139 220 HB2 CYS 31 HB2 CYS 31 -2.582 -2.250 -8.895 221 HB3 CYS 31 HB3 CYS 31 -1.837 -2.131 -7.305 222 H LYS 32 H LYS 32 -6.050 -1.268 -6.633 223 HA LYS 32 HA LYS 32 -5.217 -1.325 -3.806 224 HB2 LYS 32 HB2 LYS 32 -6.385 0.725 -4.181 225 HB3 LYS 32 HB3 LYS 32 -7.653 -0.089 -5.087 226 HG2 LYS 32 HG2 LYS 32 -8.372 0.568 -2.836 227 HG3 LYS 32 HG3 LYS 32 -8.442 -1.178 -3.083 228 HD2 LYS 32 HD2 LYS 32 -6.738 -1.591 -1.621 229 HD3 LYS 32 HD3 LYS 32 -5.943 -0.048 -1.946 230 HE2 LYS 32 HE2 LYS 32 -6.738 0.250 0.205 231 HE3 LYS 32 HE3 LYS 32 -8.015 0.977 -0.768 232 HZ1 LYS 32 HZ1 LYS 32 -8.276 -1.045 1.097 233 HZ2 LYS 32 HZ2 LYS 32 -8.505 -1.787 -0.406 234 HZ3 LYS 32 HZ3 LYS 32 -9.466 -0.469 0.040 235 H CYS 33 H CYS 33 -5.191 -3.502 -3.457 236 HA CYS 33 HA CYS 33 -7.041 -5.351 -4.481 237 HB2 CYS 33 HB2 CYS 33 -5.041 -5.373 -2.261 238 HB3 CYS 33 HB3 CYS 33 -6.217 -6.680 -2.348 239 H TYR 34 H TYR 34 -8.929 -6.186 -3.712 240 HA TYR 34 HA TYR 34 -10.303 -4.602 -1.698 241 HB2 TYR 34 HB2 TYR 34 -11.193 -6.688 -3.679 242 HB3 TYR 34 HB3 TYR 34 -12.259 -6.125 -2.398 243 HD1 TYR 34 HD1 TYR 34 -12.013 -5.827 -5.669 244 HD2 TYR 34 HD2 TYR 34 -11.724 -3.269 -2.281 245 HE1 TYR 34 HE1 TYR 34 -12.670 -3.913 -7.066 246 HE2 TYR 34 HE2 TYR 34 -12.380 -1.348 -3.668 247 HH TYR 34 HH TYR 34 -13.890 -1.365 -6.238 248 H GLY 35 H GLY 35 -9.119 -7.878 -2.181 249 HA2 GLY 35 HA2 GLY 35 -8.544 -9.428 -0.547 250 HA3 GLY 35 HA3 GLY 35 -9.202 -8.345 0.670 251 H CYS 36 H CYS 36 -9.679 -10.972 0.972 252 HA CYS 36 HA CYS 36 -12.221 -11.676 -0.223 253 HB2 CYS 36 HB2 CYS 36 -10.646 -13.108 1.927 254 HB3 CYS 36 HB3 CYS 36 -12.001 -13.765 1.014 255 H VAL 37 H VAL 37 -14.096 -11.006 0.561 256 HA VAL 37 HA VAL 37 -14.246 -10.112 3.350 257 HB VAL 37 HB VAL 37 -16.348 -9.018 2.714 258 HG11 VAL 37 HG11 VAL 37 -15.368 -7.207 1.679 259 HG12 VAL 37 HG12 VAL 37 -13.955 -8.057 2.309 260 HG13 VAL 37 HG13 VAL 37 -14.392 -8.212 0.607 261 HG21 VAL 37 HG21 VAL 37 -16.295 -10.820 0.575 262 HG22 VAL 37 HG22 VAL 37 -17.490 -9.561 0.884 263 HG23 VAL 37 HG23 VAL 37 -16.098 -9.222 -0.145 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.672 1.765 -0.755 2 HA2 GLY 1 HA2 GLY 1 3.188 1.586 -2.057 3 HA3 GLY 1 HA3 GLY 1 3.012 0.276 -0.898 4 H ASP 2 H ASP 2 0.751 1.851 -3.156 5 HA ASP 2 HA ASP 2 -0.409 -0.675 -3.868 6 HB2 ASP 2 HB2 ASP 2 -0.815 2.078 -5.061 7 HB3 ASP 2 HB3 ASP 2 -1.800 0.661 -5.412 8 H ILE 3 H ILE 3 -0.412 -1.648 -5.934 9 HA ILE 3 HA ILE 3 2.122 -1.442 -7.296 10 HB ILE 3 HB ILE 3 -0.263 -3.193 -7.906 11 HG12 ILE 3 HG12 ILE 3 1.531 -4.905 -6.945 12 HG13 ILE 3 HG13 ILE 3 2.098 -3.468 -6.101 13 HG21 ILE 3 HG21 ILE 3 2.514 -3.072 -9.031 14 HG22 ILE 3 HG22 ILE 3 1.564 -4.556 -9.080 15 HG23 ILE 3 HG23 ILE 3 0.972 -3.103 -9.886 16 HD11 ILE 3 HD11 ILE 3 0.308 -5.087 -5.050 17 HD12 ILE 3 HD12 ILE 3 0.246 -3.344 -4.789 18 HD13 ILE 3 HD13 ILE 3 -0.799 -4.093 -5.996 19 H LYS 4 H LYS 4 2.531 -0.245 -9.026 20 HA LYS 4 HA LYS 4 0.514 1.359 -10.244 21 HB2 LYS 4 HB2 LYS 4 2.778 2.198 -10.044 22 HB3 LYS 4 HB3 LYS 4 3.397 0.858 -11.001 23 HG2 LYS 4 HG2 LYS 4 2.341 1.680 -12.972 24 HG3 LYS 4 HG3 LYS 4 1.459 2.903 -12.055 25 HD2 LYS 4 HD2 LYS 4 3.300 3.977 -13.144 26 HD3 LYS 4 HD3 LYS 4 3.656 3.904 -11.418 27 HE2 LYS 4 HE2 LYS 4 5.239 2.211 -11.696 28 HE3 LYS 4 HE3 LYS 4 4.626 1.772 -13.289 29 HZ1 LYS 4 HZ1 LYS 4 6.716 3.497 -12.697 30 HZ2 LYS 4 HZ2 LYS 4 5.467 4.463 -13.303 31 HZ3 LYS 4 HZ3 LYS 4 6.052 3.166 -14.217 32 H CYS 5 H CYS 5 -0.596 1.083 -12.097 33 HA CYS 5 HA CYS 5 0.206 -0.772 -14.127 34 HB2 CYS 5 HB2 CYS 5 -1.836 -2.202 -13.949 35 HB3 CYS 5 HB3 CYS 5 -0.707 -2.407 -12.614 36 H SER 6 H SER 6 -1.949 -1.124 -15.601 37 HA SER 6 HA SER 6 -3.174 1.540 -15.898 38 HB2 SER 6 HB2 SER 6 -2.162 -0.278 -18.097 39 HB3 SER 6 HB3 SER 6 -3.070 1.210 -18.361 40 HG SER 6 HG SER 6 -1.334 2.263 -17.150 41 H GLY 7 H GLY 7 -3.463 -1.874 -16.885 42 HA2 GLY 7 HA2 GLY 7 -6.358 -1.531 -17.151 43 HA3 GLY 7 HA3 GLY 7 -5.427 -2.923 -17.683 44 H THR 8 H THR 8 -7.452 -3.839 -16.542 45 HA THR 8 HA THR 8 -7.362 -3.877 -13.665 46 HB THR 8 HB THR 8 -8.934 -5.877 -15.241 47 HG1 THR 8 HG1 THR 8 -9.496 -3.091 -15.025 48 HG21 THR 8 HG21 THR 8 -8.841 -4.954 -12.557 49 HG22 THR 8 HG22 THR 8 -9.901 -6.176 -13.258 50 HG23 THR 8 HG23 THR 8 -10.399 -4.484 -13.235 51 H ARG 9 H ARG 9 -6.931 -6.367 -16.186 52 HA ARG 9 HA ARG 9 -6.162 -8.470 -14.576 53 HB2 ARG 9 HB2 ARG 9 -4.964 -9.349 -16.565 54 HB3 ARG 9 HB3 ARG 9 -6.589 -8.787 -16.931 55 HG2 ARG 9 HG2 ARG 9 -5.341 -6.559 -17.535 56 HG3 ARG 9 HG3 ARG 9 -3.962 -7.646 -17.725 57 HD2 ARG 9 HD2 ARG 9 -4.837 -7.672 -19.849 58 HD3 ARG 9 HD3 ARG 9 -5.655 -9.059 -19.132 59 HE ARG 9 HE ARG 9 -7.642 -7.944 -19.333 60 HH11 ARG 9 HH11 ARG 9 -5.024 -5.677 -19.688 61 HH12 ARG 9 HH12 ARG 9 -6.051 -4.364 -20.159 62 HH21 ARG 9 HH21 ARG 9 -9.006 -6.222 -19.951 63 HH22 ARG 9 HH22 ARG 9 -8.316 -4.675 -20.307 64 H GLN 10 H GLN 10 -4.158 -5.877 -15.914 65 HA GLN 10 HA GLN 10 -1.645 -6.772 -15.222 66 HB2 GLN 10 HB2 GLN 10 -2.843 -4.033 -15.427 67 HB3 GLN 10 HB3 GLN 10 -1.187 -4.225 -14.868 68 HG2 GLN 10 HG2 GLN 10 -0.908 -5.654 -17.019 69 HG3 GLN 10 HG3 GLN 10 -2.358 -4.804 -17.549 70 HE21 GLN 10 HE21 GLN 10 0.541 -3.847 -15.738 71 HE22 GLN 10 HE22 GLN 10 0.950 -2.516 -16.762 72 H CYS 11 H CYS 11 -4.151 -5.467 -13.179 73 HA CYS 11 HA CYS 11 -2.405 -5.151 -10.896 74 HB2 CYS 11 HB2 CYS 11 -4.273 -3.617 -11.150 75 HB3 CYS 11 HB3 CYS 11 -5.411 -4.960 -11.167 76 H TRP 12 H TRP 12 -4.840 -7.435 -12.026 77 HA TRP 12 HA TRP 12 -5.149 -8.987 -9.749 78 HB2 TRP 12 HB2 TRP 12 -5.141 -9.876 -12.642 79 HB3 TRP 12 HB3 TRP 12 -5.758 -10.830 -11.295 80 HD1 TRP 12 HD1 TRP 12 -6.826 -7.542 -10.392 81 HE1 TRP 12 HE1 TRP 12 -9.214 -7.028 -11.205 82 HE3 TRP 12 HE3 TRP 12 -7.348 -11.306 -13.813 83 HZ2 TRP 12 HZ2 TRP 12 -11.073 -8.079 -13.052 84 HZ3 TRP 12 HZ3 TRP 12 -9.462 -11.481 -15.060 85 HH2 TRP 12 HH2 TRP 12 -11.284 -9.901 -14.686 86 H GLY 13 H GLY 13 -2.628 -9.105 -12.223 87 HA2 GLY 13 HA2 GLY 13 -1.351 -11.461 -11.584 88 HA3 GLY 13 HA3 GLY 13 -0.521 -10.023 -12.162 89 HA PRO 14 HA PRO 14 1.441 -9.375 -8.300 90 HB2 PRO 14 HB2 PRO 14 1.055 -6.746 -7.746 91 HB3 PRO 14 HB3 PRO 14 2.129 -7.309 -9.031 92 HG2 PRO 14 HG2 PRO 14 -0.681 -6.295 -9.219 93 HG3 PRO 14 HG3 PRO 14 0.710 -5.937 -10.261 94 HD2 PRO 14 HD2 PRO 14 -1.209 -7.719 -10.952 95 HD3 PRO 14 HD3 PRO 14 0.487 -7.902 -11.445 96 H CYS 15 H CYS 15 -1.901 -8.335 -8.465 97 HA CYS 15 HA CYS 15 -2.319 -7.908 -5.705 98 HB2 CYS 15 HB2 CYS 15 -3.854 -7.093 -7.460 99 HB3 CYS 15 HB3 CYS 15 -4.319 -8.755 -7.811 100 H LYS 16 H LYS 16 -2.456 -10.772 -7.729 101 HA LYS 16 HA LYS 16 -3.716 -12.486 -5.872 102 HB2 LYS 16 HB2 LYS 16 -2.993 -12.718 -8.472 103 HB3 LYS 16 HB3 LYS 16 -1.727 -13.675 -7.711 104 HG2 LYS 16 HG2 LYS 16 -4.632 -14.125 -7.111 105 HG3 LYS 16 HG3 LYS 16 -3.822 -14.894 -8.479 106 HD2 LYS 16 HD2 LYS 16 -2.901 -15.100 -5.614 107 HD3 LYS 16 HD3 LYS 16 -3.899 -16.305 -6.430 108 HE2 LYS 16 HE2 LYS 16 -1.982 -17.266 -7.046 109 HE3 LYS 16 HE3 LYS 16 -1.805 -15.928 -8.179 110 HZ1 LYS 16 HZ1 LYS 16 -0.049 -16.569 -6.223 111 HZ2 LYS 16 HZ2 LYS 16 -0.916 -15.301 -5.518 112 HZ3 LYS 16 HZ3 LYS 16 -0.136 -15.069 -7.000 113 H LYS 17 H LYS 17 -0.320 -11.729 -6.497 114 HA LYS 17 HA LYS 17 0.879 -13.632 -4.864 115 HB2 LYS 17 HB2 LYS 17 1.877 -11.790 -6.468 116 HB3 LYS 17 HB3 LYS 17 1.998 -10.860 -4.979 117 HG2 LYS 17 HG2 LYS 17 4.081 -11.896 -5.239 118 HG3 LYS 17 HG3 LYS 17 3.242 -12.846 -4.010 119 HD2 LYS 17 HD2 LYS 17 4.001 -14.547 -5.326 120 HD3 LYS 17 HD3 LYS 17 2.472 -14.222 -6.146 121 HE2 LYS 17 HE2 LYS 17 4.090 -14.356 -7.853 122 HE3 LYS 17 HE3 LYS 17 3.775 -12.635 -7.635 123 HZ1 LYS 17 HZ1 LYS 17 5.949 -13.793 -6.072 124 HZ2 LYS 17 HZ2 LYS 17 5.830 -12.269 -6.796 125 HZ3 LYS 17 HZ3 LYS 17 6.211 -13.623 -7.736 126 H GLN 18 H GLN 18 -0.085 -10.305 -4.028 127 HA GLN 18 HA GLN 18 0.568 -10.614 -1.267 128 HB2 GLN 18 HB2 GLN 18 -0.771 -8.528 -2.927 129 HB3 GLN 18 HB3 GLN 18 -1.001 -8.477 -1.184 130 HG2 GLN 18 HG2 GLN 18 1.320 -8.214 -0.794 131 HG3 GLN 18 HG3 GLN 18 1.710 -8.581 -2.474 132 HE21 GLN 18 HE21 GLN 18 -0.653 -6.414 -0.958 133 HE22 GLN 18 HE22 GLN 18 -0.119 -4.985 -1.768 134 H THR 19 H THR 19 -2.467 -10.628 -3.105 135 HA THR 19 HA THR 19 -3.714 -12.095 -0.891 136 HB THR 19 HB THR 19 -5.710 -10.801 -0.931 137 HG1 THR 19 HG1 THR 19 -4.626 -9.808 -3.315 138 HG21 THR 19 HG21 THR 19 -3.737 -9.848 0.306 139 HG22 THR 19 HG22 THR 19 -4.971 -8.671 -0.143 140 HG23 THR 19 HG23 THR 19 -3.477 -8.780 -1.072 141 H THR 20 H THR 20 -4.481 -13.951 -1.634 142 HA THR 20 HA THR 20 -4.507 -14.864 -4.192 143 HB THR 20 HB THR 20 -6.466 -16.376 -3.431 144 HG1 THR 20 HG1 THR 20 -7.176 -14.965 -1.742 145 HG21 THR 20 HG21 THR 20 -4.982 -17.755 -2.144 146 HG22 THR 20 HG22 THR 20 -3.964 -16.371 -1.743 147 HG23 THR 20 HG23 THR 20 -4.036 -16.963 -3.403 148 H CYS 21 H CYS 21 -6.983 -12.928 -2.625 149 HA CYS 21 HA CYS 21 -8.937 -13.199 -4.673 150 HB2 CYS 21 HB2 CYS 21 -8.551 -11.277 -2.393 151 HB3 CYS 21 HB3 CYS 21 -9.841 -11.041 -3.569 152 H THR 22 H THR 22 -8.163 -12.730 -6.683 153 HA THR 22 HA THR 22 -6.499 -10.526 -7.297 154 HB THR 22 HB THR 22 -7.476 -10.975 -9.693 155 HG1 THR 22 HG1 THR 22 -8.651 -12.773 -9.890 156 HG21 THR 22 HG21 THR 22 -5.617 -12.603 -8.037 157 HG22 THR 22 HG22 THR 22 -5.299 -11.646 -9.484 158 HG23 THR 22 HG23 THR 22 -6.070 -13.226 -9.623 159 H ASN 23 H ASN 23 -9.911 -10.850 -6.875 160 HA ASN 23 HA ASN 23 -10.992 -8.864 -8.419 161 HB2 ASN 23 HB2 ASN 23 -12.063 -10.446 -6.618 162 HB3 ASN 23 HB3 ASN 23 -11.835 -9.065 -5.551 163 HD21 ASN 23 HD21 ASN 23 -13.268 -7.457 -5.605 164 HD22 ASN 23 HD22 ASN 23 -14.558 -7.316 -6.743 165 H SER 24 H SER 24 -10.064 -6.937 -8.754 166 HA SER 24 HA SER 24 -9.863 -5.098 -6.523 167 HB2 SER 24 HB2 SER 24 -7.626 -6.208 -6.635 168 HB3 SER 24 HB3 SER 24 -7.452 -5.602 -8.283 169 HG SER 24 HG SER 24 -7.989 -3.877 -6.111 170 H LYS 25 H LYS 25 -9.010 -2.888 -7.441 171 HA LYS 25 HA LYS 25 -10.049 -2.466 -10.155 172 HB2 LYS 25 HB2 LYS 25 -11.555 -1.831 -7.992 173 HB3 LYS 25 HB3 LYS 25 -10.652 -0.336 -8.197 174 HG2 LYS 25 HG2 LYS 25 -11.904 -1.514 -10.610 175 HG3 LYS 25 HG3 LYS 25 -12.968 -0.779 -9.408 176 HD2 LYS 25 HD2 LYS 25 -10.543 0.715 -10.291 177 HD3 LYS 25 HD3 LYS 25 -11.941 0.648 -11.367 178 HE2 LYS 25 HE2 LYS 25 -12.060 1.528 -8.487 179 HE3 LYS 25 HE3 LYS 25 -11.894 2.632 -9.851 180 HZ1 LYS 25 HZ1 LYS 25 -14.207 1.036 -9.023 181 HZ2 LYS 25 HZ2 LYS 25 -14.005 1.352 -10.671 182 HZ3 LYS 25 HZ3 LYS 25 -14.143 2.634 -9.575 183 H CYS 26 H CYS 26 -8.519 -1.546 -11.335 184 HA CYS 26 HA CYS 26 -6.331 -0.131 -10.060 185 HB2 CYS 26 HB2 CYS 26 -6.226 -1.822 -12.063 186 HB3 CYS 26 HB3 CYS 26 -6.620 -0.405 -13.030 187 H MET 27 H MET 27 -6.871 1.887 -9.444 188 HA MET 27 HA MET 27 -7.944 3.677 -11.522 189 HB2 MET 27 HB2 MET 27 -9.151 4.912 -9.791 190 HB3 MET 27 HB3 MET 27 -9.666 3.230 -9.836 191 HG2 MET 27 HG2 MET 27 -8.156 2.776 -7.920 192 HG3 MET 27 HG3 MET 27 -7.814 4.502 -7.838 193 HE1 MET 27 HE1 MET 27 -9.016 2.090 -6.081 194 HE2 MET 27 HE2 MET 27 -10.389 2.677 -5.144 195 HE3 MET 27 HE3 MET 27 -10.660 1.758 -6.625 196 H ASN 28 H ASN 28 -6.942 5.614 -11.777 197 HA ASN 28 HA ASN 28 -5.326 7.207 -11.636 198 HB2 ASN 28 HB2 ASN 28 -5.121 6.513 -8.705 199 HB3 ASN 28 HB3 ASN 28 -4.742 8.049 -9.477 200 HD21 ASN 28 HD21 ASN 28 -6.293 9.537 -9.674 201 HD22 ASN 28 HD22 ASN 28 -7.951 9.299 -9.250 202 H GLY 29 H GLY 29 -4.566 4.535 -12.322 203 HA2 GLY 29 HA2 GLY 29 -2.657 3.321 -12.708 204 HA3 GLY 29 HA3 GLY 29 -1.771 4.773 -12.266 205 H LYS 30 H LYS 30 -3.966 3.299 -10.013 206 HA LYS 30 HA LYS 30 -1.678 2.193 -8.524 207 HB2 LYS 30 HB2 LYS 30 -4.064 3.488 -7.213 208 HB3 LYS 30 HB3 LYS 30 -2.544 3.013 -6.466 209 HG2 LYS 30 HG2 LYS 30 -1.579 4.748 -8.227 210 HG3 LYS 30 HG3 LYS 30 -3.207 5.412 -8.070 211 HD2 LYS 30 HD2 LYS 30 -2.926 5.583 -5.660 212 HD3 LYS 30 HD3 LYS 30 -1.325 4.849 -5.778 213 HE2 LYS 30 HE2 LYS 30 -0.619 6.749 -7.209 214 HE3 LYS 30 HE3 LYS 30 -2.194 7.494 -6.939 215 HZ1 LYS 30 HZ1 LYS 30 -1.726 7.858 -4.710 216 HZ2 LYS 30 HZ2 LYS 30 -0.253 8.208 -5.464 217 HZ3 LYS 30 HZ3 LYS 30 -0.467 6.730 -4.670 218 H CYS 31 H CYS 31 -2.052 0.320 -7.330 219 HA CYS 31 HA CYS 31 -4.508 -1.115 -8.072 220 HB2 CYS 31 HB2 CYS 31 -2.441 -2.182 -8.819 221 HB3 CYS 31 HB3 CYS 31 -1.823 -2.178 -7.170 222 H LYS 32 H LYS 32 -6.005 -1.299 -6.557 223 HA LYS 32 HA LYS 32 -5.154 -1.400 -3.737 224 HB2 LYS 32 HB2 LYS 32 -6.278 0.677 -4.056 225 HB3 LYS 32 HB3 LYS 32 -7.564 -0.083 -4.983 226 HG2 LYS 32 HG2 LYS 32 -8.269 0.537 -2.716 227 HG3 LYS 32 HG3 LYS 32 -8.386 -1.201 -3.008 228 HD2 LYS 32 HD2 LYS 32 -7.447 -0.764 -0.806 229 HD3 LYS 32 HD3 LYS 32 -6.246 -1.528 -1.849 230 HE2 LYS 32 HE2 LYS 32 -5.303 0.323 -0.528 231 HE3 LYS 32 HE3 LYS 32 -5.196 0.614 -2.263 232 HZ1 LYS 32 HZ1 LYS 32 -6.895 2.184 -2.177 233 HZ2 LYS 32 HZ2 LYS 32 -5.975 2.519 -0.799 234 HZ3 LYS 32 HZ3 LYS 32 -7.436 1.677 -0.656 235 H CYS 33 H CYS 33 -5.175 -3.583 -3.424 236 HA CYS 33 HA CYS 33 -7.069 -5.374 -4.467 237 HB2 CYS 33 HB2 CYS 33 -5.065 -5.479 -2.250 238 HB3 CYS 33 HB3 CYS 33 -6.263 -6.763 -2.370 239 H TYR 34 H TYR 34 -8.944 -6.238 -3.657 240 HA TYR 34 HA TYR 34 -10.305 -4.627 -1.657 241 HB2 TYR 34 HB2 TYR 34 -11.159 -6.656 -3.685 242 HB3 TYR 34 HB3 TYR 34 -12.219 -6.301 -2.325 243 HD1 TYR 34 HD1 TYR 34 -10.129 -4.310 -4.711 244 HD2 TYR 34 HD2 TYR 34 -13.903 -4.815 -2.812 245 HE1 TYR 34 HE1 TYR 34 -10.987 -2.337 -5.904 246 HE2 TYR 34 HE2 TYR 34 -14.771 -2.844 -3.998 247 HH TYR 34 HH TYR 34 -14.284 -1.563 -6.041 248 H GLY 35 H GLY 35 -9.108 -7.905 -2.091 249 HA2 GLY 35 HA2 GLY 35 -8.537 -9.446 -0.456 250 HA3 GLY 35 HA3 GLY 35 -9.127 -8.324 0.761 251 H CYS 36 H CYS 36 -9.570 -11.118 0.794 252 HA CYS 36 HA CYS 36 -12.202 -11.697 -0.174 253 HB2 CYS 36 HB2 CYS 36 -10.555 -13.185 1.882 254 HB3 CYS 36 HB3 CYS 36 -11.963 -13.806 1.029 255 H VAL 37 H VAL 37 -14.001 -10.919 0.687 256 HA VAL 37 HA VAL 37 -14.031 -10.222 3.542 257 HB VAL 37 HB VAL 37 -16.046 -8.879 3.000 258 HG11 VAL 37 HG11 VAL 37 -14.873 -7.058 1.977 259 HG12 VAL 37 HG12 VAL 37 -13.740 -7.928 3.013 260 HG13 VAL 37 HG13 VAL 37 -13.692 -8.155 1.264 261 HG21 VAL 37 HG21 VAL 37 -16.741 -8.503 0.756 262 HG22 VAL 37 HG22 VAL 37 -15.371 -9.408 0.113 263 HG23 VAL 37 HG23 VAL 37 -16.655 -10.249 0.981 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.473 -0.023 0.263 2 HA2 GLY 1 HA2 GLY 1 2.255 1.601 -1.346 3 HA3 GLY 1 HA3 GLY 1 3.675 0.772 -1.966 4 H ASP 2 H ASP 2 0.875 1.709 -3.003 5 HA ASP 2 HA ASP 2 -0.410 -0.636 -3.949 6 HB2 ASP 2 HB2 ASP 2 -0.550 2.264 -4.759 7 HB3 ASP 2 HB3 ASP 2 -1.481 1.020 -5.590 8 H ILE 3 H ILE 3 -0.355 -1.622 -5.959 9 HA ILE 3 HA ILE 3 2.174 -1.436 -7.340 10 HB ILE 3 HB ILE 3 -0.217 -3.184 -7.934 11 HG12 ILE 3 HG12 ILE 3 1.554 -4.897 -6.943 12 HG13 ILE 3 HG13 ILE 3 2.134 -3.457 -6.114 13 HG21 ILE 3 HG21 ILE 3 1.615 -4.566 -9.080 14 HG22 ILE 3 HG22 ILE 3 1.030 -3.122 -9.905 15 HG23 ILE 3 HG23 ILE 3 2.567 -3.082 -9.041 16 HD11 ILE 3 HD11 ILE 3 0.397 -4.981 -4.964 17 HD12 ILE 3 HD12 ILE 3 0.196 -3.231 -4.884 18 HD13 ILE 3 HD13 ILE 3 -0.761 -4.179 -6.023 19 H LYS 4 H LYS 4 2.566 -0.231 -9.068 20 HA LYS 4 HA LYS 4 0.546 1.366 -10.277 21 HB2 LYS 4 HB2 LYS 4 2.796 2.216 -10.128 22 HB3 LYS 4 HB3 LYS 4 3.423 0.845 -11.035 23 HG2 LYS 4 HG2 LYS 4 2.160 1.604 -13.007 24 HG3 LYS 4 HG3 LYS 4 1.615 3.010 -12.089 25 HD2 LYS 4 HD2 LYS 4 3.814 3.872 -11.927 26 HD3 LYS 4 HD3 LYS 4 4.526 2.357 -12.488 27 HE2 LYS 4 HE2 LYS 4 3.754 2.700 -14.693 28 HE3 LYS 4 HE3 LYS 4 2.669 3.996 -14.194 29 HZ1 LYS 4 HZ1 LYS 4 4.462 5.447 -13.852 30 HZ2 LYS 4 HZ2 LYS 4 4.799 4.683 -15.323 31 HZ3 LYS 4 HZ3 LYS 4 5.609 4.204 -13.918 32 H CYS 5 H CYS 5 -0.557 1.113 -12.149 33 HA CYS 5 HA CYS 5 0.196 -0.758 -14.171 34 HB2 CYS 5 HB2 CYS 5 -1.835 -2.196 -13.958 35 HB3 CYS 5 HB3 CYS 5 -0.688 -2.393 -12.637 36 H SER 6 H SER 6 -1.960 -1.109 -15.625 37 HA SER 6 HA SER 6 -3.210 1.546 -15.893 38 HB2 SER 6 HB2 SER 6 -1.385 0.946 -17.610 39 HB3 SER 6 HB3 SER 6 -2.553 -0.204 -18.256 40 HG SER 6 HG SER 6 -2.414 2.198 -18.994 41 H GLY 7 H GLY 7 -3.491 -1.862 -16.905 42 HA2 GLY 7 HA2 GLY 7 -6.389 -1.539 -17.135 43 HA3 GLY 7 HA3 GLY 7 -5.455 -2.926 -17.674 44 H THR 8 H THR 8 -7.474 -3.842 -16.511 45 HA THR 8 HA THR 8 -7.347 -3.885 -13.636 46 HB THR 8 HB THR 8 -8.938 -5.893 -15.175 47 HG1 THR 8 HG1 THR 8 -9.826 -3.217 -14.836 48 HG21 THR 8 HG21 THR 8 -8.823 -4.925 -12.511 49 HG22 THR 8 HG22 THR 8 -9.901 -6.147 -13.183 50 HG23 THR 8 HG23 THR 8 -10.382 -4.451 -13.185 51 H ARG 9 H ARG 9 -6.919 -6.353 -16.177 52 HA ARG 9 HA ARG 9 -6.147 -8.471 -14.588 53 HB2 ARG 9 HB2 ARG 9 -4.900 -9.292 -16.600 54 HB3 ARG 9 HB3 ARG 9 -6.563 -8.818 -16.921 55 HG2 ARG 9 HG2 ARG 9 -5.714 -6.629 -17.743 56 HG3 ARG 9 HG3 ARG 9 -4.074 -7.255 -17.561 57 HD2 ARG 9 HD2 ARG 9 -4.437 -7.756 -19.759 58 HD3 ARG 9 HD3 ARG 9 -5.043 -9.234 -19.012 59 HE ARG 9 HE ARG 9 -7.151 -8.687 -19.720 60 HH11 ARG 9 HH11 ARG 9 -5.102 -5.882 -19.955 61 HH12 ARG 9 HH12 ARG 9 -6.279 -4.932 -20.799 62 HH21 ARG 9 HH21 ARG 9 -8.708 -7.446 -20.831 63 HH22 ARG 9 HH22 ARG 9 -8.330 -5.821 -21.297 64 H GLN 10 H GLN 10 -4.140 -5.873 -15.918 65 HA GLN 10 HA GLN 10 -1.630 -6.771 -15.221 66 HB2 GLN 10 HB2 GLN 10 -2.801 -4.006 -15.357 67 HB3 GLN 10 HB3 GLN 10 -1.120 -4.258 -14.907 68 HG2 GLN 10 HG2 GLN 10 -1.126 -5.705 -17.121 69 HG3 GLN 10 HG3 GLN 10 -2.464 -4.628 -17.521 70 HE21 GLN 10 HE21 GLN 10 0.908 -4.978 -17.276 71 HE22 GLN 10 HE22 GLN 10 1.346 -3.363 -17.702 72 H CYS 11 H CYS 11 -4.136 -5.460 -13.180 73 HA CYS 11 HA CYS 11 -2.394 -5.153 -10.894 74 HB2 CYS 11 HB2 CYS 11 -4.243 -3.607 -11.131 75 HB3 CYS 11 HB3 CYS 11 -5.396 -4.938 -11.189 76 H TRP 12 H TRP 12 -4.832 -7.429 -12.033 77 HA TRP 12 HA TRP 12 -5.155 -8.982 -9.760 78 HB2 TRP 12 HB2 TRP 12 -5.136 -9.868 -12.654 79 HB3 TRP 12 HB3 TRP 12 -5.760 -10.823 -11.312 80 HD1 TRP 12 HD1 TRP 12 -6.826 -7.532 -10.411 81 HE1 TRP 12 HE1 TRP 12 -9.209 -7.014 -11.233 82 HE3 TRP 12 HE3 TRP 12 -7.340 -11.296 -13.833 83 HZ2 TRP 12 HZ2 TRP 12 -11.062 -8.061 -13.086 84 HZ3 TRP 12 HZ3 TRP 12 -9.451 -11.468 -15.088 85 HH2 TRP 12 HH2 TRP 12 -11.272 -9.883 -14.721 86 H GLY 13 H GLY 13 -2.623 -9.106 -12.223 87 HA2 GLY 13 HA2 GLY 13 -1.355 -11.465 -11.576 88 HA3 GLY 13 HA3 GLY 13 -0.519 -10.031 -12.153 89 HA PRO 14 HA PRO 14 1.430 -9.382 -8.283 90 HB2 PRO 14 HB2 PRO 14 1.047 -6.752 -7.732 91 HB3 PRO 14 HB3 PRO 14 2.125 -7.318 -9.014 92 HG2 PRO 14 HG2 PRO 14 -0.683 -6.298 -9.214 93 HG3 PRO 14 HG3 PRO 14 0.713 -5.945 -10.249 94 HD2 PRO 14 HD2 PRO 14 -1.206 -7.723 -10.947 95 HD3 PRO 14 HD3 PRO 14 0.491 -7.910 -11.433 96 H CYS 15 H CYS 15 -1.912 -8.347 -8.463 97 HA CYS 15 HA CYS 15 -2.343 -7.905 -5.709 98 HB2 CYS 15 HB2 CYS 15 -3.876 -7.102 -7.466 99 HB3 CYS 15 HB3 CYS 15 -4.326 -8.766 -7.824 100 H LYS 16 H LYS 16 -2.457 -10.783 -7.715 101 HA LYS 16 HA LYS 16 -3.722 -12.491 -5.859 102 HB2 LYS 16 HB2 LYS 16 -2.981 -12.735 -8.451 103 HB3 LYS 16 HB3 LYS 16 -1.715 -13.679 -7.678 104 HG2 LYS 16 HG2 LYS 16 -4.620 -14.143 -7.094 105 HG3 LYS 16 HG3 LYS 16 -3.797 -14.917 -8.450 106 HD2 LYS 16 HD2 LYS 16 -2.895 -15.099 -5.576 107 HD3 LYS 16 HD3 LYS 16 -3.879 -16.316 -6.393 108 HE2 LYS 16 HE2 LYS 16 -1.949 -16.255 -8.158 109 HE3 LYS 16 HE3 LYS 16 -1.017 -15.579 -6.824 110 HZ1 LYS 16 HZ1 LYS 16 -1.890 -18.277 -7.259 111 HZ2 LYS 16 HZ2 LYS 16 -2.261 -17.716 -5.707 112 HZ3 LYS 16 HZ3 LYS 16 -0.660 -17.688 -6.256 113 H LYS 17 H LYS 17 -0.323 -11.726 -6.467 114 HA LYS 17 HA LYS 17 0.871 -13.612 -4.812 115 HB2 LYS 17 HB2 LYS 17 1.912 -11.850 -6.424 116 HB3 LYS 17 HB3 LYS 17 1.939 -10.814 -5.004 117 HG2 LYS 17 HG2 LYS 17 4.026 -11.730 -4.897 118 HG3 LYS 17 HG3 LYS 17 3.124 -12.878 -3.905 119 HD2 LYS 17 HD2 LYS 17 3.011 -14.455 -5.670 120 HD3 LYS 17 HD3 LYS 17 3.566 -13.271 -6.857 121 HE2 LYS 17 HE2 LYS 17 5.715 -13.156 -5.499 122 HE3 LYS 17 HE3 LYS 17 5.141 -14.600 -4.667 123 HZ1 LYS 17 HZ1 LYS 17 6.166 -14.300 -7.364 124 HZ2 LYS 17 HZ2 LYS 17 4.836 -15.332 -7.205 125 HZ3 LYS 17 HZ3 LYS 17 6.244 -15.626 -6.315 126 H GLN 18 H GLN 18 -0.109 -10.283 -4.005 127 HA GLN 18 HA GLN 18 0.527 -10.568 -1.239 128 HB2 GLN 18 HB2 GLN 18 -0.846 -8.503 -2.906 129 HB3 GLN 18 HB3 GLN 18 -1.020 -8.436 -1.157 130 HG2 GLN 18 HG2 GLN 18 1.692 -8.652 -2.384 131 HG3 GLN 18 HG3 GLN 18 0.866 -7.096 -2.319 132 HE21 GLN 18 HE21 GLN 18 0.154 -6.362 -0.193 133 HE22 GLN 18 HE22 GLN 18 1.103 -6.772 1.191 134 H THR 19 H THR 19 -2.496 -10.611 -3.095 135 HA THR 19 HA THR 19 -3.751 -12.067 -0.878 136 HB THR 19 HB THR 19 -5.766 -10.785 -0.969 137 HG1 THR 19 HG1 THR 19 -4.556 -9.605 -3.239 138 HG21 THR 19 HG21 THR 19 -4.006 -9.825 0.425 139 HG22 THR 19 HG22 THR 19 -4.994 -8.551 -0.293 140 HG23 THR 19 HG23 THR 19 -3.398 -8.910 -0.953 141 H THR 20 H THR 20 -4.506 -13.931 -1.609 142 HA THR 20 HA THR 20 -4.510 -14.868 -4.160 143 HB THR 20 HB THR 20 -6.346 -16.455 -3.455 144 HG1 THR 20 HG1 THR 20 -7.332 -16.156 -1.570 145 HG21 THR 20 HG21 THR 20 -3.699 -16.104 -2.310 146 HG22 THR 20 HG22 THR 20 -4.501 -17.573 -2.867 147 HG23 THR 20 HG23 THR 20 -4.778 -16.984 -1.229 148 H CYS 21 H CYS 21 -7.007 -12.925 -2.629 149 HA CYS 21 HA CYS 21 -8.938 -13.218 -4.698 150 HB2 CYS 21 HB2 CYS 21 -8.588 -11.313 -2.402 151 HB3 CYS 21 HB3 CYS 21 -9.841 -11.037 -3.608 152 H THR 22 H THR 22 -8.176 -12.742 -6.705 153 HA THR 22 HA THR 22 -6.498 -10.548 -7.315 154 HB THR 22 HB THR 22 -7.546 -11.003 -9.710 155 HG1 THR 22 HG1 THR 22 -9.150 -12.410 -9.311 156 HG21 THR 22 HG21 THR 22 -5.226 -11.545 -8.779 157 HG22 THR 22 HG22 THR 22 -5.807 -12.536 -10.117 158 HG23 THR 22 HG23 THR 22 -5.859 -13.161 -8.469 159 H ASN 23 H ASN 23 -9.913 -10.852 -6.894 160 HA ASN 23 HA ASN 23 -10.980 -8.858 -8.438 161 HB2 ASN 23 HB2 ASN 23 -12.057 -10.440 -6.634 162 HB3 ASN 23 HB3 ASN 23 -11.835 -9.051 -5.575 163 HD21 ASN 23 HD21 ASN 23 -13.265 -7.441 -5.650 164 HD22 ASN 23 HD22 ASN 23 -14.552 -7.310 -6.796 165 H SER 24 H SER 24 -10.031 -6.940 -8.768 166 HA SER 24 HA SER 24 -9.823 -5.108 -6.528 167 HB2 SER 24 HB2 SER 24 -7.593 -6.207 -6.632 168 HB3 SER 24 HB3 SER 24 -7.423 -5.645 -8.295 169 HG SER 24 HG SER 24 -6.488 -4.321 -6.494 170 H LYS 25 H LYS 25 -8.982 -2.894 -7.431 171 HA LYS 25 HA LYS 25 -10.024 -2.457 -10.141 172 HB2 LYS 25 HB2 LYS 25 -10.963 -1.228 -7.595 173 HB3 LYS 25 HB3 LYS 25 -10.890 -0.201 -9.021 174 HG2 LYS 25 HG2 LYS 25 -12.207 -2.827 -9.343 175 HG3 LYS 25 HG3 LYS 25 -13.044 -1.624 -8.359 176 HD2 LYS 25 HD2 LYS 25 -13.871 -1.033 -10.393 177 HD3 LYS 25 HD3 LYS 25 -12.393 -0.071 -10.424 178 HE2 LYS 25 HE2 LYS 25 -12.607 -1.227 -12.519 179 HE3 LYS 25 HE3 LYS 25 -11.268 -1.936 -11.616 180 HZ1 LYS 25 HZ1 LYS 25 -13.011 -3.454 -12.760 181 HZ2 LYS 25 HZ2 LYS 25 -13.947 -3.124 -11.391 182 HZ3 LYS 25 HZ3 LYS 25 -12.431 -3.857 -11.222 183 H CYS 26 H CYS 26 -8.494 -1.533 -11.320 184 HA CYS 26 HA CYS 26 -6.302 -0.127 -10.043 185 HB2 CYS 26 HB2 CYS 26 -6.200 -1.811 -12.052 186 HB3 CYS 26 HB3 CYS 26 -6.597 -0.390 -13.013 187 H MET 27 H MET 27 -6.874 1.881 -9.406 188 HA MET 27 HA MET 27 -7.936 3.683 -11.479 189 HB2 MET 27 HB2 MET 27 -9.119 4.920 -9.717 190 HB3 MET 27 HB3 MET 27 -9.665 3.250 -9.812 191 HG2 MET 27 HG2 MET 27 -8.025 2.779 -7.925 192 HG3 MET 27 HG3 MET 27 -7.926 4.527 -7.734 193 HE1 MET 27 HE1 MET 27 -9.968 4.608 -4.876 194 HE2 MET 27 HE2 MET 27 -9.367 2.950 -4.910 195 HE3 MET 27 HE3 MET 27 -8.355 4.268 -5.503 196 H ASN 28 H ASN 28 -6.977 5.659 -11.689 197 HA ASN 28 HA ASN 28 -5.355 7.247 -11.551 198 HB2 ASN 28 HB2 ASN 28 -5.231 6.482 -8.626 199 HB3 ASN 28 HB3 ASN 28 -4.677 7.993 -9.342 200 HD21 ASN 28 HD21 ASN 28 -6.485 7.890 -7.244 201 HD22 ASN 28 HD22 ASN 28 -8.015 8.472 -7.795 202 H GLY 29 H GLY 29 -4.586 4.593 -12.285 203 HA2 GLY 29 HA2 GLY 29 -2.673 3.401 -12.710 204 HA3 GLY 29 HA3 GLY 29 -1.791 4.844 -12.234 205 H LYS 30 H LYS 30 -3.976 3.307 -10.014 206 HA LYS 30 HA LYS 30 -1.687 2.146 -8.570 207 HB2 LYS 30 HB2 LYS 30 -4.031 3.467 -7.207 208 HB3 LYS 30 HB3 LYS 30 -2.519 2.937 -6.481 209 HG2 LYS 30 HG2 LYS 30 -1.522 4.684 -8.215 210 HG3 LYS 30 HG3 LYS 30 -3.130 5.387 -8.026 211 HD2 LYS 30 HD2 LYS 30 -2.716 5.190 -5.507 212 HD3 LYS 30 HD3 LYS 30 -1.024 4.926 -5.933 213 HE2 LYS 30 HE2 LYS 30 -0.768 7.066 -6.775 214 HE3 LYS 30 HE3 LYS 30 -2.496 7.270 -7.062 215 HZ1 LYS 30 HZ1 LYS 30 -2.395 6.964 -4.393 216 HZ2 LYS 30 HZ2 LYS 30 -2.425 8.458 -5.186 217 HZ3 LYS 30 HZ3 LYS 30 -0.951 7.798 -4.684 218 H CYS 31 H CYS 31 -2.084 0.259 -7.405 219 HA CYS 31 HA CYS 31 -4.575 -1.115 -8.144 220 HB2 CYS 31 HB2 CYS 31 -2.626 -2.267 -8.957 221 HB3 CYS 31 HB3 CYS 31 -1.858 -2.188 -7.375 222 H LYS 32 H LYS 32 -6.061 -1.227 -6.608 223 HA LYS 32 HA LYS 32 -5.180 -1.365 -3.799 224 HB2 LYS 32 HB2 LYS 32 -6.420 0.697 -4.372 225 HB3 LYS 32 HB3 LYS 32 -7.787 -0.285 -4.888 226 HG2 LYS 32 HG2 LYS 32 -6.768 -0.700 -2.136 227 HG3 LYS 32 HG3 LYS 32 -7.643 0.796 -2.474 228 HD2 LYS 32 HD2 LYS 32 -9.362 -0.831 -3.604 229 HD3 LYS 32 HD3 LYS 32 -8.602 -2.030 -2.555 230 HE2 LYS 32 HE2 LYS 32 -9.584 0.594 -1.481 231 HE3 LYS 32 HE3 LYS 32 -10.669 -0.781 -1.678 232 HZ1 LYS 32 HZ1 LYS 32 -9.506 -2.020 -0.113 233 HZ2 LYS 32 HZ2 LYS 32 -9.534 -0.471 0.566 234 HZ3 LYS 32 HZ3 LYS 32 -8.130 -1.037 -0.190 235 H CYS 33 H CYS 33 -5.132 -3.545 -3.475 236 HA CYS 33 HA CYS 33 -6.980 -5.398 -4.493 237 HB2 CYS 33 HB2 CYS 33 -4.929 -5.423 -2.328 238 HB3 CYS 33 HB3 CYS 33 -6.113 -6.726 -2.360 239 H TYR 34 H TYR 34 -8.912 -6.125 -3.800 240 HA TYR 34 HA TYR 34 -10.219 -4.636 -1.680 241 HB2 TYR 34 HB2 TYR 34 -11.186 -6.611 -3.739 242 HB3 TYR 34 HB3 TYR 34 -12.224 -6.046 -2.435 243 HD1 TYR 34 HD1 TYR 34 -12.022 -5.663 -5.687 244 HD2 TYR 34 HD2 TYR 34 -11.533 -3.214 -2.243 245 HE1 TYR 34 HE1 TYR 34 -12.608 -3.681 -7.021 246 HE2 TYR 34 HE2 TYR 34 -12.119 -1.225 -3.567 247 HH TYR 34 HH TYR 34 -13.414 -0.728 -5.666 248 H GLY 35 H GLY 35 -9.122 -7.911 -2.339 249 HA2 GLY 35 HA2 GLY 35 -8.579 -9.560 -0.797 250 HA3 GLY 35 HA3 GLY 35 -9.186 -8.521 0.484 251 H CYS 36 H CYS 36 -9.833 -10.980 0.906 252 HA CYS 36 HA CYS 36 -12.362 -11.642 -0.378 253 HB2 CYS 36 HB2 CYS 36 -10.889 -13.140 1.797 254 HB3 CYS 36 HB3 CYS 36 -12.216 -13.748 0.813 255 H VAL 37 H VAL 37 -14.223 -10.928 0.395 256 HA VAL 37 HA VAL 37 -14.388 -10.213 3.249 257 HB VAL 37 HB VAL 37 -16.354 -8.801 2.552 258 HG11 VAL 37 HG11 VAL 37 -14.846 -7.184 2.728 259 HG12 VAL 37 HG12 VAL 37 -13.560 -8.311 2.294 260 HG13 VAL 37 HG13 VAL 37 -14.410 -7.417 1.034 261 HG21 VAL 37 HG21 VAL 37 -16.296 -10.157 0.238 262 HG22 VAL 37 HG22 VAL 37 -16.992 -8.544 0.395 263 HG23 VAL 37 HG23 VAL 37 -15.353 -8.740 -0.227 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.719 0.285 -2.198 2 HA2 GLY 1 HA2 GLY 1 2.197 0.957 -0.812 3 HA3 GLY 1 HA3 GLY 1 2.926 1.960 -2.057 4 H ASP 2 H ASP 2 0.682 1.751 -2.926 5 HA ASP 2 HA ASP 2 -0.377 -0.647 -3.885 6 HB2 ASP 2 HB2 ASP 2 -0.690 2.163 -4.959 7 HB3 ASP 2 HB3 ASP 2 -1.681 0.793 -5.452 8 H ILE 3 H ILE 3 -0.351 -1.635 -5.919 9 HA ILE 3 HA ILE 3 2.172 -1.423 -7.301 10 HB ILE 3 HB ILE 3 -0.208 -3.190 -7.884 11 HG12 ILE 3 HG12 ILE 3 1.583 -4.892 -6.927 12 HG13 ILE 3 HG13 ILE 3 2.180 -3.453 -6.109 13 HG21 ILE 3 HG21 ILE 3 1.040 -3.058 -9.872 14 HG22 ILE 3 HG22 ILE 3 2.575 -3.100 -9.008 15 HG23 ILE 3 HG23 ILE 3 1.572 -4.547 -9.092 16 HD11 ILE 3 HD11 ILE 3 0.264 -3.223 -4.842 17 HD12 ILE 3 HD12 ILE 3 -0.709 -4.190 -5.953 18 HD13 ILE 3 HD13 ILE 3 0.481 -4.972 -4.912 19 H LYS 4 H LYS 4 2.560 -0.235 -9.043 20 HA LYS 4 HA LYS 4 0.532 1.360 -10.249 21 HB2 LYS 4 HB2 LYS 4 2.794 2.202 -10.088 22 HB3 LYS 4 HB3 LYS 4 3.406 0.850 -11.030 23 HG2 LYS 4 HG2 LYS 4 2.028 1.664 -12.948 24 HG3 LYS 4 HG3 LYS 4 1.653 3.098 -11.989 25 HD2 LYS 4 HD2 LYS 4 3.808 3.904 -12.106 26 HD3 LYS 4 HD3 LYS 4 4.505 2.303 -12.364 27 HE2 LYS 4 HE2 LYS 4 4.588 3.759 -14.372 28 HE3 LYS 4 HE3 LYS 4 3.699 2.258 -14.627 29 HZ1 LYS 4 HZ1 LYS 4 2.289 4.735 -13.863 30 HZ2 LYS 4 HZ2 LYS 4 1.679 3.364 -14.644 31 HZ3 LYS 4 HZ3 LYS 4 2.689 4.433 -15.479 32 H CYS 5 H CYS 5 -0.585 1.086 -12.103 33 HA CYS 5 HA CYS 5 0.183 -0.791 -14.122 34 HB2 CYS 5 HB2 CYS 5 -1.877 -2.202 -13.912 35 HB3 CYS 5 HB3 CYS 5 -0.721 -2.418 -12.601 36 H SER 6 H SER 6 -1.927 -1.124 -15.617 37 HA SER 6 HA SER 6 -3.175 1.531 -15.899 38 HB2 SER 6 HB2 SER 6 -1.810 -0.190 -17.931 39 HB3 SER 6 HB3 SER 6 -3.156 0.829 -18.443 40 HG SER 6 HG SER 6 -0.733 1.602 -18.264 41 H GLY 7 H GLY 7 -3.455 -1.874 -16.927 42 HA2 GLY 7 HA2 GLY 7 -6.348 -1.541 -17.191 43 HA3 GLY 7 HA3 GLY 7 -5.411 -2.933 -17.713 44 H THR 8 H THR 8 -7.447 -3.844 -16.579 45 HA THR 8 HA THR 8 -7.368 -3.877 -13.703 46 HB THR 8 HB THR 8 -8.934 -5.885 -15.271 47 HG1 THR 8 HG1 THR 8 -10.273 -4.394 -16.049 48 HG21 THR 8 HG21 THR 8 -9.918 -6.158 -13.293 49 HG22 THR 8 HG22 THR 8 -10.408 -4.463 -13.290 50 HG23 THR 8 HG23 THR 8 -8.855 -4.935 -12.599 51 H ARG 9 H ARG 9 -6.924 -6.371 -16.217 52 HA ARG 9 HA ARG 9 -6.163 -8.471 -14.599 53 HB2 ARG 9 HB2 ARG 9 -6.584 -8.789 -16.958 54 HB3 ARG 9 HB3 ARG 9 -5.212 -7.772 -17.379 55 HG2 ARG 9 HG2 ARG 9 -3.704 -9.424 -16.350 56 HG3 ARG 9 HG3 ARG 9 -5.097 -10.452 -16.012 57 HD2 ARG 9 HD2 ARG 9 -5.568 -10.282 -18.534 58 HD3 ARG 9 HD3 ARG 9 -3.909 -9.699 -18.660 59 HE ARG 9 HE ARG 9 -3.716 -12.008 -17.216 60 HH11 ARG 9 HH11 ARG 9 -5.028 -11.143 -20.323 61 HH12 ARG 9 HH12 ARG 9 -4.720 -12.695 -21.030 62 HH21 ARG 9 HH21 ARG 9 -3.306 -14.055 -18.136 63 HH22 ARG 9 HH22 ARG 9 -3.741 -14.350 -19.785 64 H GLN 10 H GLN 10 -4.155 -5.880 -15.935 65 HA GLN 10 HA GLN 10 -1.645 -6.774 -15.234 66 HB2 GLN 10 HB2 GLN 10 -2.844 -4.039 -15.453 67 HB3 GLN 10 HB3 GLN 10 -1.193 -4.222 -14.876 68 HG2 GLN 10 HG2 GLN 10 -1.304 -3.762 -17.278 69 HG3 GLN 10 HG3 GLN 10 -0.550 -5.315 -16.923 70 HE21 GLN 10 HE21 GLN 10 -3.562 -3.794 -17.931 71 HE22 GLN 10 HE22 GLN 10 -4.155 -5.143 -18.831 72 H CYS 11 H CYS 11 -4.157 -5.469 -13.200 73 HA CYS 11 HA CYS 11 -2.418 -5.148 -10.911 74 HB2 CYS 11 HB2 CYS 11 -4.288 -3.618 -11.179 75 HB3 CYS 11 HB3 CYS 11 -5.425 -4.963 -11.187 76 H TRP 12 H TRP 12 -4.850 -7.435 -12.047 77 HA TRP 12 HA TRP 12 -5.166 -8.985 -9.771 78 HB2 TRP 12 HB2 TRP 12 -5.147 -9.875 -12.662 79 HB3 TRP 12 HB3 TRP 12 -5.765 -10.831 -11.318 80 HD1 TRP 12 HD1 TRP 12 -6.843 -7.544 -10.419 81 HE1 TRP 12 HE1 TRP 12 -9.229 -7.036 -11.238 82 HE3 TRP 12 HE3 TRP 12 -7.348 -11.313 -13.836 83 HZ2 TRP 12 HZ2 TRP 12 -11.081 -8.093 -13.087 84 HZ3 TRP 12 HZ3 TRP 12 -9.459 -11.494 -15.087 85 HH2 TRP 12 HH2 TRP 12 -11.286 -9.917 -14.719 86 H GLY 13 H GLY 13 -2.635 -9.105 -12.234 87 HA2 GLY 13 HA2 GLY 13 -1.359 -11.459 -11.585 88 HA3 GLY 13 HA3 GLY 13 -0.528 -10.022 -12.163 89 HA PRO 14 HA PRO 14 1.420 -9.365 -8.295 90 HB2 PRO 14 HB2 PRO 14 1.032 -6.734 -7.748 91 HB3 PRO 14 HB3 PRO 14 2.111 -7.300 -9.029 92 HG2 PRO 14 HG2 PRO 14 -0.698 -6.287 -9.230 93 HG3 PRO 14 HG3 PRO 14 0.696 -5.932 -10.267 94 HD2 PRO 14 HD2 PRO 14 -1.219 -7.715 -10.961 95 HD3 PRO 14 HD3 PRO 14 0.478 -7.899 -11.447 96 H CYS 15 H CYS 15 -1.923 -8.338 -8.476 97 HA CYS 15 HA CYS 15 -2.356 -7.893 -5.723 98 HB2 CYS 15 HB2 CYS 15 -3.891 -7.098 -7.481 99 HB3 CYS 15 HB3 CYS 15 -4.337 -8.764 -7.837 100 H LYS 16 H LYS 16 -2.463 -10.774 -7.723 101 HA LYS 16 HA LYS 16 -3.721 -12.482 -5.860 102 HB2 LYS 16 HB2 LYS 16 -2.983 -12.730 -8.453 103 HB3 LYS 16 HB3 LYS 16 -1.714 -13.670 -7.678 104 HG2 LYS 16 HG2 LYS 16 -4.618 -14.138 -7.091 105 HG3 LYS 16 HG3 LYS 16 -3.794 -14.913 -8.446 106 HD2 LYS 16 HD2 LYS 16 -2.889 -15.087 -5.573 107 HD3 LYS 16 HD3 LYS 16 -3.872 -16.307 -6.386 108 HE2 LYS 16 HE2 LYS 16 -1.928 -16.213 -8.156 109 HE3 LYS 16 HE3 LYS 16 -1.007 -15.587 -6.789 110 HZ1 LYS 16 HZ1 LYS 16 -1.509 -17.557 -5.544 111 HZ2 LYS 16 HZ2 LYS 16 -0.854 -18.016 -7.035 112 HZ3 LYS 16 HZ3 LYS 16 -2.519 -18.143 -6.768 113 H LYS 17 H LYS 17 -0.326 -11.708 -6.475 114 HA LYS 17 HA LYS 17 0.877 -13.588 -4.818 115 HB2 LYS 17 HB2 LYS 17 1.876 -11.764 -6.433 116 HB3 LYS 17 HB3 LYS 17 1.972 -10.807 -4.960 117 HG2 LYS 17 HG2 LYS 17 4.047 -11.777 -5.005 118 HG3 LYS 17 HG3 LYS 17 3.157 -12.926 -4.002 119 HD2 LYS 17 HD2 LYS 17 2.663 -14.049 -6.340 120 HD3 LYS 17 HD3 LYS 17 4.140 -13.198 -6.801 121 HE2 LYS 17 HE2 LYS 17 3.852 -15.123 -4.495 122 HE3 LYS 17 HE3 LYS 17 4.608 -15.480 -6.047 123 HZ1 LYS 17 HZ1 LYS 17 6.496 -14.565 -5.370 124 HZ2 LYS 17 HZ2 LYS 17 5.841 -14.467 -3.813 125 HZ3 LYS 17 HZ3 LYS 17 5.725 -13.147 -4.864 126 H GLN 18 H GLN 18 -0.113 -10.260 -4.016 127 HA GLN 18 HA GLN 18 0.528 -10.539 -1.251 128 HB2 GLN 18 HB2 GLN 18 -0.965 -8.485 -2.858 129 HB3 GLN 18 HB3 GLN 18 -0.918 -8.399 -1.102 130 HG2 GLN 18 HG2 GLN 18 1.636 -8.545 -1.381 131 HG3 GLN 18 HG3 GLN 18 1.322 -8.112 -3.061 132 HE21 GLN 18 HE21 GLN 18 -0.724 -6.338 -2.827 133 HE22 GLN 18 HE22 GLN 18 -0.197 -4.935 -1.970 134 H THR 19 H THR 19 -2.497 -10.593 -3.102 135 HA THR 19 HA THR 19 -3.746 -12.048 -0.881 136 HB THR 19 HB THR 19 -5.760 -10.772 -0.961 137 HG1 THR 19 HG1 THR 19 -6.276 -9.766 -2.741 138 HG21 THR 19 HG21 THR 19 -3.989 -9.796 0.410 139 HG22 THR 19 HG22 THR 19 -4.993 -8.533 -0.302 140 HG23 THR 19 HG23 THR 19 -3.404 -8.882 -0.979 141 H THR 20 H THR 20 -4.498 -13.915 -1.609 142 HA THR 20 HA THR 20 -4.503 -14.854 -4.159 143 HB THR 20 HB THR 20 -6.529 -16.319 -3.353 144 HG1 THR 20 HG1 THR 20 -5.617 -15.435 -0.824 145 HG21 THR 20 HG21 THR 20 -3.911 -16.719 -3.366 146 HG22 THR 20 HG22 THR 20 -5.009 -17.845 -2.570 147 HG23 THR 20 HG23 THR 20 -4.131 -16.647 -1.619 148 H CYS 21 H CYS 21 -7.001 -12.917 -2.625 149 HA CYS 21 HA CYS 21 -8.937 -13.219 -4.688 150 HB2 CYS 21 HB2 CYS 21 -8.587 -11.323 -2.386 151 HB3 CYS 21 HB3 CYS 21 -9.833 -11.028 -3.593 152 H THR 22 H THR 22 -8.185 -12.741 -6.697 153 HA THR 22 HA THR 22 -6.513 -10.545 -7.316 154 HB THR 22 HB THR 22 -7.562 -11.000 -9.706 155 HG1 THR 22 HG1 THR 22 -9.132 -12.430 -9.421 156 HG21 THR 22 HG21 THR 22 -5.827 -12.533 -10.115 157 HG22 THR 22 HG22 THR 22 -5.893 -13.175 -8.474 158 HG23 THR 22 HG23 THR 22 -5.247 -11.560 -8.764 159 H ASN 23 H ASN 23 -9.924 -10.850 -6.873 160 HA ASN 23 HA ASN 23 -11.005 -8.863 -8.415 161 HB2 ASN 23 HB2 ASN 23 -12.068 -10.439 -6.597 162 HB3 ASN 23 HB3 ASN 23 -11.836 -9.047 -5.543 163 HD21 ASN 23 HD21 ASN 23 -13.302 -7.479 -5.576 164 HD22 ASN 23 HD22 ASN 23 -14.585 -7.335 -6.725 165 H SER 24 H SER 24 -10.062 -6.945 -8.759 166 HA SER 24 HA SER 24 -9.845 -5.101 -6.531 167 HB2 SER 24 HB2 SER 24 -7.614 -6.216 -6.644 168 HB3 SER 24 HB3 SER 24 -7.445 -5.631 -8.299 169 HG SER 24 HG SER 24 -7.950 -3.884 -6.134 170 H LYS 25 H LYS 25 -8.983 -2.897 -7.459 171 HA LYS 25 HA LYS 25 -10.023 -2.475 -10.171 172 HB2 LYS 25 HB2 LYS 25 -11.557 -1.856 -8.042 173 HB3 LYS 25 HB3 LYS 25 -10.633 -0.366 -8.181 174 HG2 LYS 25 HG2 LYS 25 -11.313 -0.473 -10.680 175 HG3 LYS 25 HG3 LYS 25 -12.566 -1.577 -10.107 176 HD2 LYS 25 HD2 LYS 25 -13.539 0.580 -10.113 177 HD3 LYS 25 HD3 LYS 25 -13.185 0.207 -8.424 178 HE2 LYS 25 HE2 LYS 25 -12.321 2.306 -8.499 179 HE3 LYS 25 HE3 LYS 25 -10.901 1.417 -9.046 180 HZ1 LYS 25 HZ1 LYS 25 -12.888 2.502 -10.949 181 HZ2 LYS 25 HZ2 LYS 25 -11.299 2.009 -11.256 182 HZ3 LYS 25 HZ3 LYS 25 -11.590 3.432 -10.390 183 H CYS 26 H CYS 26 -8.490 -1.554 -11.347 184 HA CYS 26 HA CYS 26 -6.303 -0.143 -10.069 185 HB2 CYS 26 HB2 CYS 26 -6.220 -1.820 -12.096 186 HB3 CYS 26 HB3 CYS 26 -6.588 -0.380 -13.039 187 H MET 27 H MET 27 -6.880 1.860 -9.422 188 HA MET 27 HA MET 27 -7.948 3.668 -11.488 189 HB2 MET 27 HB2 MET 27 -9.275 4.804 -9.881 190 HB3 MET 27 HB3 MET 27 -9.577 3.088 -9.641 191 HG2 MET 27 HG2 MET 27 -7.785 3.214 -7.825 192 HG3 MET 27 HG3 MET 27 -7.973 4.962 -7.943 193 HE1 MET 27 HE1 MET 27 -8.152 4.766 -5.608 194 HE2 MET 27 HE2 MET 27 -9.683 5.585 -5.298 195 HE3 MET 27 HE3 MET 27 -9.407 3.962 -4.665 196 H ASN 28 H ASN 28 -6.991 5.647 -11.697 197 HA ASN 28 HA ASN 28 -5.363 7.229 -11.569 198 HB2 ASN 28 HB2 ASN 28 -6.470 7.326 -9.206 199 HB3 ASN 28 HB3 ASN 28 -4.968 6.581 -8.664 200 HD21 ASN 28 HD21 ASN 28 -5.963 9.195 -10.856 201 HD22 ASN 28 HD22 ASN 28 -4.809 10.344 -10.279 202 H GLY 29 H GLY 29 -4.598 4.566 -12.283 203 HA2 GLY 29 HA2 GLY 29 -2.687 3.364 -12.696 204 HA3 GLY 29 HA3 GLY 29 -1.803 4.814 -12.242 205 H LYS 30 H LYS 30 -3.981 3.307 -9.994 206 HA LYS 30 HA LYS 30 -1.683 2.184 -8.534 207 HB2 LYS 30 HB2 LYS 30 -4.054 3.473 -7.189 208 HB3 LYS 30 HB3 LYS 30 -2.530 2.986 -6.459 209 HG2 LYS 30 HG2 LYS 30 -1.574 4.736 -8.211 210 HG3 LYS 30 HG3 LYS 30 -3.199 5.403 -8.034 211 HD2 LYS 30 HD2 LYS 30 -2.914 5.751 -5.720 212 HD3 LYS 30 HD3 LYS 30 -1.479 4.722 -5.662 213 HE2 LYS 30 HE2 LYS 30 -0.481 6.775 -5.644 214 HE3 LYS 30 HE3 LYS 30 -0.568 6.505 -7.384 215 HZ1 LYS 30 HZ1 LYS 30 -2.938 7.728 -6.364 216 HZ2 LYS 30 HZ2 LYS 30 -1.930 8.226 -7.627 217 HZ3 LYS 30 HZ3 LYS 30 -1.564 8.658 -6.033 218 H CYS 31 H CYS 31 -2.052 0.299 -7.360 219 HA CYS 31 HA CYS 31 -4.520 -1.120 -8.092 220 HB2 CYS 31 HB2 CYS 31 -2.486 -2.200 -8.879 221 HB3 CYS 31 HB3 CYS 31 -1.819 -2.189 -7.250 222 H LYS 32 H LYS 32 -6.004 -1.289 -6.561 223 HA LYS 32 HA LYS 32 -5.123 -1.408 -3.750 224 HB2 LYS 32 HB2 LYS 32 -6.359 0.668 -4.356 225 HB3 LYS 32 HB3 LYS 32 -7.743 -0.322 -4.799 226 HG2 LYS 32 HG2 LYS 32 -6.592 -0.598 -2.068 227 HG3 LYS 32 HG3 LYS 32 -7.591 0.806 -2.444 228 HD2 LYS 32 HD2 LYS 32 -9.291 -0.880 -3.353 229 HD3 LYS 32 HD3 LYS 32 -8.341 -2.103 -2.506 230 HE2 LYS 32 HE2 LYS 32 -10.123 -1.434 -1.065 231 HE3 LYS 32 HE3 LYS 32 -8.626 -0.764 -0.417 232 HZ1 LYS 32 HZ1 LYS 32 -9.199 1.365 -1.070 233 HZ2 LYS 32 HZ2 LYS 32 -10.683 0.735 -0.559 234 HZ3 LYS 32 HZ3 LYS 32 -10.332 0.838 -2.210 235 H CYS 33 H CYS 33 -5.097 -3.591 -3.440 236 HA CYS 33 HA CYS 33 -6.964 -5.420 -4.466 237 HB2 CYS 33 HB2 CYS 33 -4.918 -5.479 -2.294 238 HB3 CYS 33 HB3 CYS 33 -6.109 -6.775 -2.352 239 H TYR 34 H TYR 34 -8.904 -6.126 -3.776 240 HA TYR 34 HA TYR 34 -10.195 -4.636 -1.649 241 HB2 TYR 34 HB2 TYR 34 -11.183 -6.610 -3.701 242 HB3 TYR 34 HB3 TYR 34 -12.213 -6.022 -2.401 243 HD1 TYR 34 HD1 TYR 34 -12.045 -5.671 -5.647 244 HD2 TYR 34 HD2 TYR 34 -11.445 -3.192 -2.242 245 HE1 TYR 34 HE1 TYR 34 -12.605 -3.693 -6.997 246 HE2 TYR 34 HE2 TYR 34 -12.005 -1.206 -3.582 247 HH TYR 34 HH TYR 34 -13.606 -1.126 -6.170 248 H GLY 35 H GLY 35 -9.123 -7.918 -2.312 249 HA2 GLY 35 HA2 GLY 35 -8.583 -9.568 -0.769 250 HA3 GLY 35 HA3 GLY 35 -9.194 -8.530 0.511 251 H CYS 36 H CYS 36 -9.841 -10.998 0.915 252 HA CYS 36 HA CYS 36 -12.368 -11.648 -0.377 253 HB2 CYS 36 HB2 CYS 36 -10.855 -13.146 1.774 254 HB3 CYS 36 HB3 CYS 36 -12.237 -13.749 0.863 255 H VAL 37 H VAL 37 -14.248 -10.990 0.404 256 HA VAL 37 HA VAL 37 -14.409 -10.233 3.247 257 HB VAL 37 HB VAL 37 -16.257 -8.763 2.657 258 HG11 VAL 37 HG11 VAL 37 -14.984 -7.049 1.795 259 HG12 VAL 37 HG12 VAL 37 -13.731 -8.161 2.348 260 HG13 VAL 37 HG13 VAL 37 -14.162 -8.096 0.639 261 HG21 VAL 37 HG21 VAL 37 -16.673 -8.362 0.178 262 HG22 VAL 37 HG22 VAL 37 -15.847 -9.896 -0.098 263 HG23 VAL 37 HG23 VAL 37 -17.325 -9.851 0.864 Start of MODEL 13 1 H1 GLY 1 H GLY 1 4.306 0.037 -2.359 2 HA2 GLY 1 HA2 GLY 1 2.440 0.108 -0.562 3 HA3 GLY 1 HA3 GLY 1 2.106 1.670 -1.293 4 H ASP 2 H ASP 2 0.997 1.780 -3.194 5 HA ASP 2 HA ASP 2 -0.412 -0.613 -3.985 6 HB2 ASP 2 HB2 ASP 2 -0.571 2.257 -4.920 7 HB3 ASP 2 HB3 ASP 2 -1.568 0.965 -5.583 8 H ILE 3 H ILE 3 -0.353 -1.611 -5.991 9 HA ILE 3 HA ILE 3 2.176 -1.430 -7.367 10 HB ILE 3 HB ILE 3 -0.224 -3.170 -7.953 11 HG12 ILE 3 HG12 ILE 3 1.577 -4.882 -6.992 12 HG13 ILE 3 HG13 ILE 3 2.135 -3.441 -6.149 13 HG21 ILE 3 HG21 ILE 3 0.976 -3.141 -9.939 14 HG22 ILE 3 HG22 ILE 3 2.531 -3.032 -9.115 15 HG23 ILE 3 HG23 ILE 3 1.632 -4.549 -9.105 16 HD11 ILE 3 HD11 ILE 3 0.380 -5.042 -5.066 17 HD12 ILE 3 HD12 ILE 3 0.245 -3.294 -4.873 18 HD13 ILE 3 HD13 ILE 3 -0.756 -4.130 -6.060 19 H LYS 4 H LYS 4 2.583 -0.251 -9.108 20 HA LYS 4 HA LYS 4 0.593 1.383 -10.315 21 HB2 LYS 4 HB2 LYS 4 2.901 2.133 -10.169 22 HB3 LYS 4 HB3 LYS 4 3.433 0.777 -11.154 23 HG2 LYS 4 HG2 LYS 4 2.503 1.666 -13.097 24 HG3 LYS 4 HG3 LYS 4 1.463 2.776 -12.201 25 HD2 LYS 4 HD2 LYS 4 4.466 2.959 -12.136 26 HD3 LYS 4 HD3 LYS 4 3.491 3.788 -13.351 27 HE2 LYS 4 HE2 LYS 4 2.589 5.246 -11.830 28 HE3 LYS 4 HE3 LYS 4 2.770 4.122 -10.483 29 HZ1 LYS 4 HZ1 LYS 4 5.098 5.384 -11.803 30 HZ2 LYS 4 HZ2 LYS 4 5.041 4.610 -10.301 31 HZ3 LYS 4 HZ3 LYS 4 4.294 6.114 -10.505 32 H CYS 5 H CYS 5 -0.602 1.090 -12.103 33 HA CYS 5 HA CYS 5 0.100 -0.801 -14.142 34 HB2 CYS 5 HB2 CYS 5 -1.985 -2.164 -13.887 35 HB3 CYS 5 HB3 CYS 5 -0.815 -2.396 -12.593 36 H SER 6 H SER 6 -1.985 -1.070 -15.640 37 HA SER 6 HA SER 6 -3.218 1.596 -15.884 38 HB2 SER 6 HB2 SER 6 -2.812 1.674 -18.169 39 HB3 SER 6 HB3 SER 6 -1.354 0.871 -17.586 40 HG SER 6 HG SER 6 -1.951 -0.510 -19.091 41 H GLY 7 H GLY 7 -3.517 -1.853 -16.656 42 HA2 GLY 7 HA2 GLY 7 -6.417 -1.479 -16.996 43 HA3 GLY 7 HA3 GLY 7 -5.495 -2.857 -17.578 44 H THR 8 H THR 8 -7.490 -3.818 -16.434 45 HA THR 8 HA THR 8 -7.366 -3.921 -13.561 46 HB THR 8 HB THR 8 -8.933 -5.940 -15.091 47 HG1 THR 8 HG1 THR 8 -10.568 -4.113 -15.227 48 HG21 THR 8 HG21 THR 8 -8.859 -4.917 -12.461 49 HG22 THR 8 HG22 THR 8 -9.968 -6.115 -13.126 50 HG23 THR 8 HG23 THR 8 -10.392 -4.404 -13.166 51 H ARG 9 H ARG 9 -6.918 -6.334 -16.151 52 HA ARG 9 HA ARG 9 -6.124 -8.476 -14.606 53 HB2 ARG 9 HB2 ARG 9 -6.564 -8.655 -17.003 54 HB3 ARG 9 HB3 ARG 9 -5.127 -7.702 -17.352 55 HG2 ARG 9 HG2 ARG 9 -4.689 -10.111 -15.721 56 HG3 ARG 9 HG3 ARG 9 -5.198 -10.389 -17.388 57 HD2 ARG 9 HD2 ARG 9 -3.026 -10.178 -17.891 58 HD3 ARG 9 HD3 ARG 9 -3.297 -8.448 -17.683 59 HE ARG 9 HE ARG 9 -2.713 -9.485 -15.177 60 HH11 ARG 9 HH11 ARG 9 -1.143 -9.134 -18.264 61 HH12 ARG 9 HH12 ARG 9 0.450 -9.031 -17.589 62 HH21 ARG 9 HH21 ARG 9 -0.622 -9.350 -14.277 63 HH22 ARG 9 HH22 ARG 9 0.745 -9.154 -15.321 64 H GLN 10 H GLN 10 -4.128 -5.857 -15.917 65 HA GLN 10 HA GLN 10 -1.617 -6.752 -15.216 66 HB2 GLN 10 HB2 GLN 10 -2.841 -4.052 -15.524 67 HB3 GLN 10 HB3 GLN 10 -1.245 -4.154 -14.791 68 HG2 GLN 10 HG2 GLN 10 -1.875 -5.457 -17.417 69 HG3 GLN 10 HG3 GLN 10 -1.367 -3.774 -17.300 70 HE21 GLN 10 HE21 GLN 10 0.623 -3.810 -18.131 71 HE22 GLN 10 HE22 GLN 10 1.919 -4.798 -17.559 72 H CYS 11 H CYS 11 -4.130 -5.449 -13.179 73 HA CYS 11 HA CYS 11 -2.394 -5.140 -10.889 74 HB2 CYS 11 HB2 CYS 11 -4.256 -3.604 -11.143 75 HB3 CYS 11 HB3 CYS 11 -5.398 -4.943 -11.174 76 H TRP 12 H TRP 12 -4.820 -7.423 -12.039 77 HA TRP 12 HA TRP 12 -5.146 -8.980 -9.768 78 HB2 TRP 12 HB2 TRP 12 -5.112 -9.865 -12.661 79 HB3 TRP 12 HB3 TRP 12 -5.741 -10.820 -11.321 80 HD1 TRP 12 HD1 TRP 12 -6.821 -7.535 -10.424 81 HE1 TRP 12 HE1 TRP 12 -9.199 -7.019 -11.260 82 HE3 TRP 12 HE3 TRP 12 -7.306 -11.290 -13.857 83 HZ2 TRP 12 HZ2 TRP 12 -11.038 -8.067 -13.127 84 HZ3 TRP 12 HZ3 TRP 12 -9.407 -11.465 -15.126 85 HH2 TRP 12 HH2 TRP 12 -11.234 -9.884 -14.767 86 H GLY 13 H GLY 13 -2.607 -9.095 -12.223 87 HA2 GLY 13 HA2 GLY 13 -1.332 -11.450 -11.572 88 HA3 GLY 13 HA3 GLY 13 -0.500 -10.013 -12.146 89 HA PRO 14 HA PRO 14 1.434 -9.358 -8.271 90 HB2 PRO 14 HB2 PRO 14 1.040 -6.729 -7.720 91 HB3 PRO 14 HB3 PRO 14 2.124 -7.290 -8.999 92 HG2 PRO 14 HG2 PRO 14 -0.686 -6.280 -9.207 93 HG3 PRO 14 HG3 PRO 14 0.710 -5.922 -10.238 94 HD2 PRO 14 HD2 PRO 14 -1.200 -7.708 -10.942 95 HD3 PRO 14 HD3 PRO 14 0.499 -7.888 -11.423 96 H CYS 15 H CYS 15 -1.911 -8.343 -8.462 97 HA CYS 15 HA CYS 15 -2.352 -7.902 -5.707 98 HB2 CYS 15 HB2 CYS 15 -3.883 -7.101 -7.466 99 HB3 CYS 15 HB3 CYS 15 -4.324 -8.766 -7.832 100 H LYS 16 H LYS 16 -2.448 -10.777 -7.717 101 HA LYS 16 HA LYS 16 -3.714 -12.493 -5.866 102 HB2 LYS 16 HB2 LYS 16 -2.959 -12.730 -8.456 103 HB3 LYS 16 HB3 LYS 16 -1.696 -13.674 -7.677 104 HG2 LYS 16 HG2 LYS 16 -4.605 -14.141 -7.111 105 HG3 LYS 16 HG3 LYS 16 -3.771 -14.913 -8.462 106 HD2 LYS 16 HD2 LYS 16 -2.880 -15.094 -5.585 107 HD3 LYS 16 HD3 LYS 16 -3.869 -16.308 -6.399 108 HE2 LYS 16 HE2 LYS 16 -1.061 -15.466 -7.102 109 HE3 LYS 16 HE3 LYS 16 -1.575 -17.019 -6.445 110 HZ1 LYS 16 HZ1 LYS 16 -2.908 -17.313 -8.508 111 HZ2 LYS 16 HZ2 LYS 16 -1.236 -17.283 -8.765 112 HZ3 LYS 16 HZ3 LYS 16 -2.173 -15.924 -9.136 113 H LYS 17 H LYS 17 -0.317 -11.713 -6.461 114 HA LYS 17 HA LYS 17 0.881 -13.597 -4.804 115 HB2 LYS 17 HB2 LYS 17 2.002 -11.965 -6.402 116 HB3 LYS 17 HB3 LYS 17 1.862 -10.762 -5.126 117 HG2 LYS 17 HG2 LYS 17 4.002 -11.552 -4.822 118 HG3 LYS 17 HG3 LYS 17 3.083 -12.526 -3.672 119 HD2 LYS 17 HD2 LYS 17 3.229 -14.434 -4.974 120 HD3 LYS 17 HD3 LYS 17 3.512 -13.522 -6.459 121 HE2 LYS 17 HE2 LYS 17 5.745 -12.933 -5.687 122 HE3 LYS 17 HE3 LYS 17 5.462 -13.788 -4.172 123 HZ1 LYS 17 HZ1 LYS 17 5.294 -15.850 -5.372 124 HZ2 LYS 17 HZ2 LYS 17 6.752 -15.095 -5.776 125 HZ3 LYS 17 HZ3 LYS 17 5.453 -15.056 -6.858 126 H GLN 18 H GLN 18 -0.115 -10.271 -3.999 127 HA GLN 18 HA GLN 18 0.513 -10.558 -1.231 128 HB2 GLN 18 HB2 GLN 18 -1.347 -8.509 -2.430 129 HB3 GLN 18 HB3 GLN 18 -0.398 -8.374 -0.954 130 HG2 GLN 18 HG2 GLN 18 1.631 -8.653 -2.554 131 HG3 GLN 18 HG3 GLN 18 0.480 -8.159 -3.794 132 HE21 GLN 18 HE21 GLN 18 -1.028 -6.316 -2.501 133 HE22 GLN 18 HE22 GLN 18 -0.057 -4.961 -2.049 134 H THR 19 H THR 19 -2.504 -10.609 -3.096 135 HA THR 19 HA THR 19 -3.761 -12.071 -0.885 136 HB THR 19 HB THR 19 -5.779 -10.797 -0.979 137 HG1 THR 19 HG1 THR 19 -6.274 -9.563 -2.641 138 HG21 THR 19 HG21 THR 19 -5.027 -8.575 -0.280 139 HG22 THR 19 HG22 THR 19 -3.435 -8.891 -0.972 140 HG23 THR 19 HG23 THR 19 -4.001 -9.835 0.406 141 H THR 20 H THR 20 -4.507 -13.938 -1.620 142 HA THR 20 HA THR 20 -4.499 -14.873 -4.170 143 HB THR 20 HB THR 20 -6.530 -16.337 -3.377 144 HG1 THR 20 HG1 THR 20 -7.284 -15.451 -1.576 145 HG21 THR 20 HG21 THR 20 -4.201 -16.737 -1.596 146 HG22 THR 20 HG22 THR 20 -3.868 -16.678 -3.326 147 HG23 THR 20 HG23 THR 20 -5.001 -17.867 -2.686 148 H CYS 21 H CYS 21 -7.009 -12.941 -2.648 149 HA CYS 21 HA CYS 21 -8.930 -13.240 -4.725 150 HB2 CYS 21 HB2 CYS 21 -8.596 -11.336 -2.425 151 HB3 CYS 21 HB3 CYS 21 -9.846 -11.062 -3.635 152 H THR 22 H THR 22 -8.172 -12.753 -6.728 153 HA THR 22 HA THR 22 -6.495 -10.558 -7.332 154 HB THR 22 HB THR 22 -7.535 -11.004 -9.729 155 HG1 THR 22 HG1 THR 22 -8.121 -13.338 -9.715 156 HG21 THR 22 HG21 THR 22 -5.824 -12.599 -10.123 157 HG22 THR 22 HG22 THR 22 -5.846 -13.143 -8.445 158 HG23 THR 22 HG23 THR 22 -5.221 -11.543 -8.846 159 H ASN 23 H ASN 23 -9.912 -10.866 -6.921 160 HA ASN 23 HA ASN 23 -10.975 -8.864 -8.456 161 HB2 ASN 23 HB2 ASN 23 -12.065 -10.456 -6.676 162 HB3 ASN 23 HB3 ASN 23 -11.835 -9.085 -5.595 163 HD21 ASN 23 HD21 ASN 23 -13.281 -7.497 -5.619 164 HD22 ASN 23 HD22 ASN 23 -14.557 -7.328 -6.772 165 H SER 24 H SER 24 -10.026 -6.943 -8.771 166 HA SER 24 HA SER 24 -9.821 -5.128 -6.515 167 HB2 SER 24 HB2 SER 24 -7.588 -6.219 -6.637 168 HB3 SER 24 HB3 SER 24 -7.426 -5.643 -8.296 169 HG SER 24 HG SER 24 -7.141 -3.639 -7.594 170 H LYS 25 H LYS 25 -8.993 -2.903 -7.399 171 HA LYS 25 HA LYS 25 -10.065 -2.445 -10.097 172 HB2 LYS 25 HB2 LYS 25 -11.003 -1.306 -7.531 173 HB3 LYS 25 HB3 LYS 25 -10.832 -0.166 -8.859 174 HG2 LYS 25 HG2 LYS 25 -12.156 -2.192 -10.081 175 HG3 LYS 25 HG3 LYS 25 -12.798 -2.297 -8.441 176 HD2 LYS 25 HD2 LYS 25 -12.615 0.401 -9.656 177 HD3 LYS 25 HD3 LYS 25 -13.844 -0.691 -10.300 178 HE2 LYS 25 HE2 LYS 25 -14.448 -1.083 -7.813 179 HE3 LYS 25 HE3 LYS 25 -13.552 0.408 -7.529 180 HZ1 LYS 25 HZ1 LYS 25 -15.046 1.631 -8.822 181 HZ2 LYS 25 HZ2 LYS 25 -16.031 0.612 -7.899 182 HZ3 LYS 25 HZ3 LYS 25 -15.730 0.250 -9.523 183 H CYS 26 H CYS 26 -8.550 -1.534 -11.301 184 HA CYS 26 HA CYS 26 -6.324 -0.145 -10.057 185 HB2 CYS 26 HB2 CYS 26 -6.226 -1.841 -12.035 186 HB3 CYS 26 HB3 CYS 26 -6.682 -0.456 -13.021 187 H MET 27 H MET 27 -6.820 1.883 -9.446 188 HA MET 27 HA MET 27 -7.910 3.677 -11.510 189 HB2 MET 27 HB2 MET 27 -8.976 4.968 -9.645 190 HB3 MET 27 HB3 MET 27 -9.662 3.369 -9.909 191 HG2 MET 27 HG2 MET 27 -8.465 2.491 -8.014 192 HG3 MET 27 HG3 MET 27 -7.631 4.027 -7.790 193 HE1 MET 27 HE1 MET 27 -9.687 3.227 -4.847 194 HE2 MET 27 HE2 MET 27 -10.908 2.379 -5.795 195 HE3 MET 27 HE3 MET 27 -9.196 2.066 -6.080 196 H ASN 28 H ASN 28 -6.935 5.644 -11.741 197 HA ASN 28 HA ASN 28 -5.282 7.202 -11.645 198 HB2 ASN 28 HB2 ASN 28 -5.441 6.479 -8.714 199 HB3 ASN 28 HB3 ASN 28 -4.463 7.806 -9.335 200 HD21 ASN 28 HD21 ASN 28 -5.402 9.712 -9.755 201 HD22 ASN 28 HD22 ASN 28 -7.093 10.030 -9.598 202 H GLY 29 H GLY 29 -4.539 4.531 -12.322 203 HA2 GLY 29 HA2 GLY 29 -2.639 3.303 -12.707 204 HA3 GLY 29 HA3 GLY 29 -1.742 4.745 -12.258 205 H LYS 30 H LYS 30 -3.959 3.284 -10.017 206 HA LYS 30 HA LYS 30 -1.685 2.157 -8.521 207 HB2 LYS 30 HB2 LYS 30 -4.077 3.445 -7.214 208 HB3 LYS 30 HB3 LYS 30 -2.556 2.976 -6.466 209 HG2 LYS 30 HG2 LYS 30 -1.587 4.718 -8.207 210 HG3 LYS 30 HG3 LYS 30 -3.223 5.371 -8.078 211 HD2 LYS 30 HD2 LYS 30 -2.979 5.530 -5.656 212 HD3 LYS 30 HD3 LYS 30 -1.358 4.838 -5.764 213 HE2 LYS 30 HE2 LYS 30 -0.866 7.078 -5.671 214 HE3 LYS 30 HE3 LYS 30 -0.950 6.829 -7.414 215 HZ1 LYS 30 HZ1 LYS 30 -3.422 7.570 -6.052 216 HZ2 LYS 30 HZ2 LYS 30 -2.860 8.009 -7.586 217 HZ3 LYS 30 HZ3 LYS 30 -2.243 8.773 -6.209 218 H CYS 31 H CYS 31 -2.067 0.273 -7.354 219 HA CYS 31 HA CYS 31 -4.528 -1.144 -8.111 220 HB2 CYS 31 HB2 CYS 31 -2.507 -2.243 -8.880 221 HB3 CYS 31 HB3 CYS 31 -1.825 -2.199 -7.257 222 H LYS 32 H LYS 32 -6.030 -1.268 -6.592 223 HA LYS 32 HA LYS 32 -5.179 -1.402 -3.773 224 HB2 LYS 32 HB2 LYS 32 -6.334 0.663 -4.112 225 HB3 LYS 32 HB3 LYS 32 -7.616 -0.130 -5.017 226 HG2 LYS 32 HG2 LYS 32 -8.311 0.501 -2.753 227 HG3 LYS 32 HG3 LYS 32 -8.394 -1.242 -3.021 228 HD2 LYS 32 HD2 LYS 32 -6.708 -1.683 -1.558 229 HD3 LYS 32 HD3 LYS 32 -5.864 -0.172 -1.908 230 HE2 LYS 32 HE2 LYS 32 -6.699 -0.102 0.348 231 HE3 LYS 32 HE3 LYS 32 -7.610 1.043 -0.636 232 HZ1 LYS 32 HZ1 LYS 32 -8.650 -0.924 0.958 233 HZ2 LYS 32 HZ2 LYS 32 -8.831 -1.532 -0.610 234 HZ3 LYS 32 HZ3 LYS 32 -9.490 -0.028 -0.206 235 H CYS 33 H CYS 33 -5.169 -3.583 -3.460 236 HA CYS 33 HA CYS 33 -7.039 -5.402 -4.503 237 HB2 CYS 33 HB2 CYS 33 -5.033 -5.479 -2.286 238 HB3 CYS 33 HB3 CYS 33 -6.213 -6.779 -2.407 239 H TYR 34 H TYR 34 -8.891 -6.311 -3.677 240 HA TYR 34 HA TYR 34 -10.241 -4.734 -1.626 241 HB2 TYR 34 HB2 TYR 34 -11.172 -6.695 -3.705 242 HB3 TYR 34 HB3 TYR 34 -12.220 -6.233 -2.369 243 HD1 TYR 34 HD1 TYR 34 -11.957 -5.683 -5.629 244 HD2 TYR 34 HD2 TYR 34 -11.768 -3.405 -2.041 245 HE1 TYR 34 HE1 TYR 34 -12.648 -3.677 -6.874 246 HE2 TYR 34 HE2 TYR 34 -12.459 -1.393 -3.275 247 HH TYR 34 HH TYR 34 -12.420 -0.552 -5.593 248 H GLY 35 H GLY 35 -9.121 -8.009 -2.246 249 HA2 GLY 35 HA2 GLY 35 -8.554 -9.625 -0.675 250 HA3 GLY 35 HA3 GLY 35 -9.196 -8.584 0.587 251 H CYS 36 H CYS 36 -9.768 -11.107 0.952 252 HA CYS 36 HA CYS 36 -12.308 -11.768 -0.313 253 HB2 CYS 36 HB2 CYS 36 -10.727 -13.302 1.763 254 HB3 CYS 36 HB3 CYS 36 -12.114 -13.903 0.859 255 H VAL 37 H VAL 37 -14.160 -11.089 0.513 256 HA VAL 37 HA VAL 37 -14.336 -10.664 3.425 257 HB VAL 37 HB VAL 37 -15.901 -8.854 3.056 258 HG11 VAL 37 HG11 VAL 37 -13.904 -7.895 1.174 259 HG12 VAL 37 HG12 VAL 37 -14.249 -7.370 2.824 260 HG13 VAL 37 HG13 VAL 37 -13.194 -8.755 2.539 261 HG21 VAL 37 HG21 VAL 37 -17.110 -9.314 1.150 262 HG22 VAL 37 HG22 VAL 37 -16.043 -8.030 0.581 263 HG23 VAL 37 HG23 VAL 37 -15.675 -9.713 0.206 Start of MODEL 14 1 H1 GLY 1 H GLY 1 4.316 0.257 -1.000 2 HA2 GLY 1 HA2 GLY 1 1.656 0.697 -0.472 3 HA3 GLY 1 HA3 GLY 1 2.556 1.557 -1.712 4 H ASP 2 H ASP 2 0.939 1.693 -3.215 5 HA ASP 2 HA ASP 2 -0.483 -0.704 -4.030 6 HB2 ASP 2 HB2 ASP 2 -0.698 2.212 -4.703 7 HB3 ASP 2 HB3 ASP 2 -1.474 1.010 -5.731 8 H ILE 3 H ILE 3 -0.305 -1.717 -6.001 9 HA ILE 3 HA ILE 3 2.233 -1.407 -7.342 10 HB ILE 3 HB ILE 3 -0.055 -3.288 -7.938 11 HG12 ILE 3 HG12 ILE 3 1.799 -4.898 -6.941 12 HG13 ILE 3 HG13 ILE 3 2.323 -3.423 -6.134 13 HG21 ILE 3 HG21 ILE 3 1.767 -4.574 -9.128 14 HG22 ILE 3 HG22 ILE 3 1.229 -3.088 -9.910 15 HG23 ILE 3 HG23 ILE 3 2.747 -3.113 -9.013 16 HD11 ILE 3 HD11 ILE 3 0.392 -3.272 -4.883 17 HD12 ILE 3 HD12 ILE 3 -0.534 -4.276 -5.999 18 HD13 ILE 3 HD13 ILE 3 0.674 -5.011 -4.946 19 H LYS 4 H LYS 4 2.610 -0.356 -9.185 20 HA LYS 4 HA LYS 4 0.589 1.244 -10.387 21 HB2 LYS 4 HB2 LYS 4 2.888 2.011 -10.331 22 HB3 LYS 4 HB3 LYS 4 3.413 0.614 -11.261 23 HG2 LYS 4 HG2 LYS 4 2.512 1.423 -13.231 24 HG3 LYS 4 HG3 LYS 4 1.390 2.498 -12.394 25 HD2 LYS 4 HD2 LYS 4 4.332 2.925 -12.106 26 HD3 LYS 4 HD3 LYS 4 3.514 3.467 -13.572 27 HE2 LYS 4 HE2 LYS 4 3.306 5.347 -12.294 28 HE3 LYS 4 HE3 LYS 4 1.828 4.507 -11.829 29 HZ1 LYS 4 HZ1 LYS 4 4.236 3.960 -10.270 30 HZ2 LYS 4 HZ2 LYS 4 2.623 4.051 -9.771 31 HZ3 LYS 4 HZ3 LYS 4 3.501 5.469 -10.055 32 H CYS 5 H CYS 5 -0.452 1.037 -12.337 33 HA CYS 5 HA CYS 5 0.146 -0.997 -14.233 34 HB2 CYS 5 HB2 CYS 5 -1.980 -2.285 -13.946 35 HB3 CYS 5 HB3 CYS 5 -0.836 -2.496 -12.625 36 H SER 6 H SER 6 -1.880 -1.241 -15.776 37 HA SER 6 HA SER 6 -2.995 1.461 -16.154 38 HB2 SER 6 HB2 SER 6 -1.226 0.594 -17.828 39 HB3 SER 6 HB3 SER 6 -2.505 -0.468 -18.414 40 HG SER 6 HG SER 6 -2.117 2.151 -18.899 41 H GLY 7 H GLY 7 -3.542 -1.995 -16.795 42 HA2 GLY 7 HA2 GLY 7 -6.428 -1.434 -16.988 43 HA3 GLY 7 HA3 GLY 7 -5.628 -2.862 -17.630 44 H THR 8 H THR 8 -7.531 -3.814 -16.423 45 HA THR 8 HA THR 8 -7.345 -3.894 -13.551 46 HB THR 8 HB THR 8 -8.955 -5.904 -15.057 47 HG1 THR 8 HG1 THR 8 -10.518 -4.346 -15.525 48 HG21 THR 8 HG21 THR 8 -10.354 -4.408 -13.058 49 HG22 THR 8 HG22 THR 8 -8.800 -4.933 -12.410 50 HG23 THR 8 HG23 THR 8 -9.929 -6.119 -13.066 51 H ARG 9 H ARG 9 -6.924 -6.304 -16.146 52 HA ARG 9 HA ARG 9 -6.131 -8.457 -14.615 53 HB2 ARG 9 HB2 ARG 9 -6.567 -8.680 -16.985 54 HB3 ARG 9 HB3 ARG 9 -5.198 -7.646 -17.372 55 HG2 ARG 9 HG2 ARG 9 -3.716 -9.362 -16.309 56 HG3 ARG 9 HG3 ARG 9 -5.130 -10.412 -16.198 57 HD2 ARG 9 HD2 ARG 9 -5.295 -10.644 -18.500 58 HD3 ARG 9 HD3 ARG 9 -4.372 -9.175 -18.813 59 HE ARG 9 HE ARG 9 -2.586 -10.824 -17.596 60 HH11 ARG 9 HH11 ARG 9 -4.672 -11.118 -20.368 61 HH12 ARG 9 HH12 ARG 9 -3.615 -12.203 -21.210 62 HH21 ARG 9 HH21 ARG 9 -1.186 -12.251 -18.695 63 HH22 ARG 9 HH22 ARG 9 -1.634 -12.847 -20.257 64 H GLN 10 H GLN 10 -4.130 -5.836 -15.919 65 HA GLN 10 HA GLN 10 -1.621 -6.737 -15.224 66 HB2 GLN 10 HB2 GLN 10 -2.834 -4.025 -15.495 67 HB3 GLN 10 HB3 GLN 10 -1.221 -4.155 -14.806 68 HG2 GLN 10 HG2 GLN 10 -1.179 -3.722 -17.214 69 HG3 GLN 10 HG3 GLN 10 -0.417 -5.255 -16.795 70 HE21 GLN 10 HE21 GLN 10 -3.094 -3.716 -18.359 71 HE22 GLN 10 HE22 GLN 10 -3.711 -5.123 -19.150 72 H CYS 11 H CYS 11 -4.127 -5.433 -13.180 73 HA CYS 11 HA CYS 11 -2.386 -5.137 -10.891 74 HB2 CYS 11 HB2 CYS 11 -4.214 -3.583 -11.088 75 HB3 CYS 11 HB3 CYS 11 -5.381 -4.895 -11.218 76 H TRP 12 H TRP 12 -4.822 -7.409 -12.045 77 HA TRP 12 HA TRP 12 -5.153 -8.971 -9.780 78 HB2 TRP 12 HB2 TRP 12 -5.119 -9.847 -12.676 79 HB3 TRP 12 HB3 TRP 12 -5.751 -10.805 -11.340 80 HD1 TRP 12 HD1 TRP 12 -6.822 -7.520 -10.432 81 HE1 TRP 12 HE1 TRP 12 -9.201 -6.997 -11.266 82 HE3 TRP 12 HE3 TRP 12 -7.316 -11.266 -13.876 83 HZ2 TRP 12 HZ2 TRP 12 -11.042 -8.035 -13.136 84 HZ3 TRP 12 HZ3 TRP 12 -9.418 -11.431 -15.146 85 HH2 TRP 12 HH2 TRP 12 -11.240 -9.848 -14.782 86 H GLY 13 H GLY 13 -2.612 -9.088 -12.234 87 HA2 GLY 13 HA2 GLY 13 -1.345 -11.447 -11.587 88 HA3 GLY 13 HA3 GLY 13 -0.509 -10.012 -12.159 89 HA PRO 14 HA PRO 14 1.429 -9.369 -8.283 90 HB2 PRO 14 HB2 PRO 14 1.043 -6.739 -7.729 91 HB3 PRO 14 HB3 PRO 14 2.125 -7.303 -9.008 92 HG2 PRO 14 HG2 PRO 14 -0.682 -6.284 -9.215 93 HG3 PRO 14 HG3 PRO 14 0.716 -5.928 -10.246 94 HD2 PRO 14 HD2 PRO 14 -1.201 -7.705 -10.952 95 HD3 PRO 14 HD3 PRO 14 0.499 -7.891 -11.434 96 H CYS 15 H CYS 15 -1.915 -8.350 -8.474 97 HA CYS 15 HA CYS 15 -2.361 -7.899 -5.724 98 HB2 CYS 15 HB2 CYS 15 -3.899 -7.118 -7.482 99 HB3 CYS 15 HB3 CYS 15 -4.322 -8.787 -7.851 100 H LYS 16 H LYS 16 -2.434 -10.790 -7.711 101 HA LYS 16 HA LYS 16 -3.690 -12.500 -5.849 102 HB2 LYS 16 HB2 LYS 16 -2.935 -12.754 -8.435 103 HB3 LYS 16 HB3 LYS 16 -1.661 -13.678 -7.650 104 HG2 LYS 16 HG2 LYS 16 -4.563 -14.171 -7.075 105 HG3 LYS 16 HG3 LYS 16 -3.725 -14.944 -8.423 106 HD2 LYS 16 HD2 LYS 16 -2.834 -15.096 -5.544 107 HD3 LYS 16 HD3 LYS 16 -3.801 -16.331 -6.356 108 HE2 LYS 16 HE2 LYS 16 -1.880 -16.296 -8.110 109 HE3 LYS 16 HE3 LYS 16 -0.950 -15.544 -6.814 110 HZ1 LYS 16 HZ1 LYS 16 -0.510 -17.732 -6.433 111 HZ2 LYS 16 HZ2 LYS 16 -2.011 -18.268 -7.000 112 HZ3 LYS 16 HZ3 LYS 16 -1.889 -17.563 -5.467 113 H LYS 17 H LYS 17 -0.297 -11.703 -6.446 114 HA LYS 17 HA LYS 17 0.909 -13.564 -4.772 115 HB2 LYS 17 HB2 LYS 17 1.957 -11.834 -6.393 116 HB3 LYS 17 HB3 LYS 17 1.932 -10.749 -5.008 117 HG2 LYS 17 HG2 LYS 17 4.079 -11.691 -5.039 118 HG3 LYS 17 HG3 LYS 17 3.212 -12.536 -3.754 119 HD2 LYS 17 HD2 LYS 17 2.886 -14.453 -5.123 120 HD3 LYS 17 HD3 LYS 17 3.440 -13.597 -6.565 121 HE2 LYS 17 HE2 LYS 17 5.283 -14.880 -5.980 122 HE3 LYS 17 HE3 LYS 17 5.652 -13.311 -5.266 123 HZ1 LYS 17 HZ1 LYS 17 5.245 -15.835 -3.988 124 HZ2 LYS 17 HZ2 LYS 17 4.268 -14.628 -3.319 125 HZ3 LYS 17 HZ3 LYS 17 5.946 -14.421 -3.378 126 H GLN 18 H GLN 18 -0.110 -10.239 -3.995 127 HA GLN 18 HA GLN 18 0.516 -10.498 -1.224 128 HB2 GLN 18 HB2 GLN 18 -0.802 -8.456 -2.942 129 HB3 GLN 18 HB3 GLN 18 -1.113 -8.388 -1.212 130 HG2 GLN 18 HG2 GLN 18 1.590 -8.299 -2.533 131 HG3 GLN 18 HG3 GLN 18 0.725 -6.932 -1.831 132 HE21 GLN 18 HE21 GLN 18 -0.170 -7.806 0.508 133 HE22 GLN 18 HE22 GLN 18 1.126 -8.301 1.537 134 H THR 19 H THR 19 -2.497 -10.587 -3.094 135 HA THR 19 HA THR 19 -3.748 -12.039 -0.871 136 HB THR 19 HB THR 19 -5.775 -10.780 -0.980 137 HG1 THR 19 HG1 THR 19 -6.213 -9.984 -2.895 138 HG21 THR 19 HG21 THR 19 -3.461 -8.839 -0.993 139 HG22 THR 19 HG22 THR 19 -3.983 -9.799 0.392 140 HG23 THR 19 HG23 THR 19 -5.048 -8.563 -0.276 141 H THR 20 H THR 20 -4.477 -13.918 -1.591 142 HA THR 20 HA THR 20 -4.458 -14.875 -4.133 143 HB THR 20 HB THR 20 -6.290 -16.471 -3.422 144 HG1 THR 20 HG1 THR 20 -7.478 -15.767 -1.822 145 HG21 THR 20 HG21 THR 20 -4.909 -17.549 -1.678 146 HG22 THR 20 HG22 THR 20 -3.938 -16.081 -1.568 147 HG23 THR 20 HG23 THR 20 -3.953 -17.019 -3.061 148 H CYS 21 H CYS 21 -6.986 -12.948 -2.634 149 HA CYS 21 HA CYS 21 -8.897 -13.276 -4.718 150 HB2 CYS 21 HB2 CYS 21 -8.591 -11.382 -2.411 151 HB3 CYS 21 HB3 CYS 21 -9.818 -11.083 -3.637 152 H THR 22 H THR 22 -8.162 -12.784 -6.723 153 HA THR 22 HA THR 22 -6.484 -10.589 -7.336 154 HB THR 22 HB THR 22 -7.514 -11.030 -9.728 155 HG1 THR 22 HG1 THR 22 -8.020 -13.557 -8.575 156 HG21 THR 22 HG21 THR 22 -5.285 -11.605 -9.456 157 HG22 THR 22 HG22 THR 22 -6.026 -13.169 -9.792 158 HG23 THR 22 HG23 THR 22 -5.627 -12.720 -8.134 159 H ASN 23 H ASN 23 -9.900 -10.894 -6.907 160 HA ASN 23 HA ASN 23 -10.967 -8.889 -8.437 161 HB2 ASN 23 HB2 ASN 23 -12.035 -10.485 -6.629 162 HB3 ASN 23 HB3 ASN 23 -11.829 -9.086 -5.578 163 HD21 ASN 23 HD21 ASN 23 -13.482 -7.762 -5.490 164 HD22 ASN 23 HD22 ASN 23 -14.684 -7.544 -6.712 165 H SER 24 H SER 24 -10.013 -6.971 -8.754 166 HA SER 24 HA SER 24 -9.794 -5.160 -6.494 167 HB2 SER 24 HB2 SER 24 -7.563 -6.261 -6.650 168 HB3 SER 24 HB3 SER 24 -7.414 -5.655 -8.299 169 HG SER 24 HG SER 24 -6.566 -4.408 -6.292 170 H LYS 25 H LYS 25 -8.950 -2.936 -7.392 171 HA LYS 25 HA LYS 25 -10.024 -2.470 -10.083 172 HB2 LYS 25 HB2 LYS 25 -10.988 -1.328 -7.519 173 HB3 LYS 25 HB3 LYS 25 -10.866 -0.220 -8.879 174 HG2 LYS 25 HG2 LYS 25 -12.233 -1.888 -10.195 175 HG3 LYS 25 HG3 LYS 25 -12.533 -2.708 -8.661 176 HD2 LYS 25 HD2 LYS 25 -13.802 -0.970 -7.828 177 HD3 LYS 25 HD3 LYS 25 -13.042 0.227 -8.880 178 HE2 LYS 25 HE2 LYS 25 -14.825 -1.972 -9.903 179 HE3 LYS 25 HE3 LYS 25 -15.430 -0.383 -9.437 180 HZ1 LYS 25 HZ1 LYS 25 -13.678 0.488 -11.061 181 HZ2 LYS 25 HZ2 LYS 25 -15.081 -0.202 -11.706 182 HZ3 LYS 25 HZ3 LYS 25 -13.640 -1.089 -11.673 183 H CYS 26 H CYS 26 -8.508 -1.523 -11.261 184 HA CYS 26 HA CYS 26 -6.308 -0.129 -9.984 185 HB2 CYS 26 HB2 CYS 26 -6.227 -1.770 -12.030 186 HB3 CYS 26 HB3 CYS 26 -6.641 -0.330 -12.956 187 H MET 27 H MET 27 -6.843 1.871 -9.311 188 HA MET 27 HA MET 27 -7.920 3.719 -11.335 189 HB2 MET 27 HB2 MET 27 -9.035 4.930 -9.428 190 HB3 MET 27 HB3 MET 27 -9.718 3.357 -9.815 191 HG2 MET 27 HG2 MET 27 -8.626 2.351 -7.936 192 HG3 MET 27 HG3 MET 27 -7.745 3.840 -7.599 193 HE1 MET 27 HE1 MET 27 -9.359 4.978 -4.844 194 HE2 MET 27 HE2 MET 27 -8.106 5.134 -6.075 195 HE3 MET 27 HE3 MET 27 -9.528 6.178 -6.125 196 H ASN 28 H ASN 28 -6.971 5.707 -11.468 197 HA ASN 28 HA ASN 28 -5.400 7.333 -11.215 198 HB2 ASN 28 HB2 ASN 28 -5.091 6.372 -8.366 199 HB3 ASN 28 HB3 ASN 28 -4.741 7.977 -9.004 200 HD21 ASN 28 HD21 ASN 28 -6.433 7.362 -6.806 201 HD22 ASN 28 HD22 ASN 28 -8.027 7.890 -7.216 202 H GLY 29 H GLY 29 -4.616 4.758 -12.175 203 HA2 GLY 29 HA2 GLY 29 -2.704 3.617 -12.730 204 HA3 GLY 29 HA3 GLY 29 -1.829 5.046 -12.199 205 H LYS 30 H LYS 30 -3.903 3.335 -9.999 206 HA LYS 30 HA LYS 30 -1.567 2.063 -8.749 207 HB2 LYS 30 HB2 LYS 30 -3.726 3.537 -7.232 208 HB3 LYS 30 HB3 LYS 30 -2.310 2.752 -6.545 209 HG2 LYS 30 HG2 LYS 30 -1.156 4.471 -8.299 210 HG3 LYS 30 HG3 LYS 30 -2.585 5.382 -7.806 211 HD2 LYS 30 HD2 LYS 30 -1.963 5.296 -5.521 212 HD3 LYS 30 HD3 LYS 30 -0.719 4.083 -5.833 213 HE2 LYS 30 HE2 LYS 30 0.767 5.712 -6.086 214 HE3 LYS 30 HE3 LYS 30 -0.138 6.294 -7.482 215 HZ1 LYS 30 HZ1 LYS 30 -1.052 7.964 -6.305 216 HZ2 LYS 30 HZ2 LYS 30 0.302 7.757 -5.313 217 HZ3 LYS 30 HZ3 LYS 30 -1.177 7.061 -4.880 218 H CYS 31 H CYS 31 -2.041 0.228 -7.434 219 HA CYS 31 HA CYS 31 -4.571 -1.068 -8.183 220 HB2 CYS 31 HB2 CYS 31 -2.649 -2.307 -8.938 221 HB3 CYS 31 HB3 CYS 31 -1.909 -2.226 -7.343 222 H LYS 32 H LYS 32 -6.063 -1.409 -6.681 223 HA LYS 32 HA LYS 32 -5.237 -1.440 -3.854 224 HB2 LYS 32 HB2 LYS 32 -6.311 0.664 -4.198 225 HB3 LYS 32 HB3 LYS 32 -7.616 -0.079 -5.113 226 HG2 LYS 32 HG2 LYS 32 -8.304 0.578 -2.854 227 HG3 LYS 32 HG3 LYS 32 -8.450 -1.160 -3.121 228 HD2 LYS 32 HD2 LYS 32 -7.497 -0.700 -0.926 229 HD3 LYS 32 HD3 LYS 32 -6.318 -1.512 -1.961 230 HE2 LYS 32 HE2 LYS 32 -5.364 0.367 -0.650 231 HE3 LYS 32 HE3 LYS 32 -5.187 0.562 -2.393 232 HZ1 LYS 32 HZ1 LYS 32 -6.004 2.533 -0.952 233 HZ2 LYS 32 HZ2 LYS 32 -7.503 1.754 -1.029 234 HZ3 LYS 32 HZ3 LYS 32 -6.731 2.242 -2.452 235 H CYS 33 H CYS 33 -5.309 -3.620 -3.534 236 HA CYS 33 HA CYS 33 -7.243 -5.370 -4.578 237 HB2 CYS 33 HB2 CYS 33 -5.309 -5.535 -2.287 238 HB3 CYS 33 HB3 CYS 33 -6.481 -6.821 -2.555 239 H TYR 34 H TYR 34 -9.053 -6.349 -3.629 240 HA TYR 34 HA TYR 34 -10.413 -4.649 -1.680 241 HB2 TYR 34 HB2 TYR 34 -11.304 -6.636 -3.726 242 HB3 TYR 34 HB3 TYR 34 -12.348 -6.319 -2.345 243 HD1 TYR 34 HD1 TYR 34 -12.108 -5.566 -5.602 244 HD2 TYR 34 HD2 TYR 34 -12.216 -3.518 -1.873 245 HE1 TYR 34 HE1 TYR 34 -12.986 -3.565 -6.733 246 HE2 TYR 34 HE2 TYR 34 -13.095 -1.513 -2.994 247 HH TYR 34 HH TYR 34 -13.524 -0.546 -4.967 248 H GLY 35 H GLY 35 -9.283 -7.949 -2.126 249 HA2 GLY 35 HA2 GLY 35 -8.709 -9.485 -0.481 250 HA3 GLY 35 HA3 GLY 35 -9.320 -8.369 0.732 251 H CYS 36 H CYS 36 -9.734 -11.221 0.604 252 HA CYS 36 HA CYS 36 -12.343 -11.795 -0.368 253 HB2 CYS 36 HB2 CYS 36 -10.715 -13.249 1.729 254 HB3 CYS 36 HB3 CYS 36 -12.130 -13.887 0.898 255 H VAL 37 H VAL 37 -14.224 -11.194 0.457 256 HA VAL 37 HA VAL 37 -14.372 -10.597 3.341 257 HB VAL 37 HB VAL 37 -16.237 -9.017 2.739 258 HG11 VAL 37 HG11 VAL 37 -13.441 -8.475 1.763 259 HG12 VAL 37 HG12 VAL 37 -14.680 -7.227 1.920 260 HG13 VAL 37 HG13 VAL 37 -14.124 -8.105 3.347 261 HG21 VAL 37 HG21 VAL 37 -16.485 -8.251 0.495 262 HG22 VAL 37 HG22 VAL 37 -15.113 -9.216 -0.050 263 HG23 VAL 37 HG23 VAL 37 -16.601 -10.010 0.465 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.462 -1.746 -1.033 2 HA2 GLY 1 HA2 GLY 1 1.695 -0.169 -0.438 3 HA3 GLY 1 HA3 GLY 1 2.495 1.010 -1.466 4 H ASP 2 H ASP 2 0.865 1.423 -2.882 5 HA ASP 2 HA ASP 2 -0.709 -0.655 -4.068 6 HB2 ASP 2 HB2 ASP 2 -0.424 2.229 -4.938 7 HB3 ASP 2 HB3 ASP 2 -1.719 1.120 -5.384 8 H ILE 3 H ILE 3 -0.452 -1.681 -5.971 9 HA ILE 3 HA ILE 3 2.101 -1.453 -7.295 10 HB ILE 3 HB ILE 3 -0.261 -3.219 -7.951 11 HG12 ILE 3 HG12 ILE 3 1.510 -4.926 -6.957 12 HG13 ILE 3 HG13 ILE 3 2.074 -3.489 -6.108 13 HG21 ILE 3 HG21 ILE 3 1.015 -3.111 -9.905 14 HG22 ILE 3 HG22 ILE 3 2.538 -3.078 -9.017 15 HG23 ILE 3 HG23 ILE 3 1.595 -4.566 -9.094 16 HD11 ILE 3 HD11 ILE 3 -0.820 -4.196 -6.047 17 HD12 ILE 3 HD12 ILE 3 0.321 -5.051 -5.008 18 HD13 ILE 3 HD13 ILE 3 0.146 -3.302 -4.875 19 H LYS 4 H LYS 4 2.525 -0.242 -9.012 20 HA LYS 4 HA LYS 4 0.539 1.374 -10.242 21 HB2 LYS 4 HB2 LYS 4 2.900 2.065 -10.011 22 HB3 LYS 4 HB3 LYS 4 3.369 0.805 -11.145 23 HG2 LYS 4 HG2 LYS 4 3.285 2.556 -12.578 24 HG3 LYS 4 HG3 LYS 4 1.597 2.050 -12.675 25 HD2 LYS 4 HD2 LYS 4 1.302 4.283 -12.292 26 HD3 LYS 4 HD3 LYS 4 1.361 3.708 -10.625 27 HE2 LYS 4 HE2 LYS 4 3.630 4.375 -10.389 28 HE3 LYS 4 HE3 LYS 4 3.787 4.677 -12.119 29 HZ1 LYS 4 HZ1 LYS 4 2.558 6.611 -11.980 30 HZ2 LYS 4 HZ2 LYS 4 3.445 6.656 -10.541 31 HZ3 LYS 4 HZ3 LYS 4 1.822 6.180 -10.517 32 H CYS 5 H CYS 5 -0.538 1.155 -12.136 33 HA CYS 5 HA CYS 5 0.194 -0.686 -14.176 34 HB2 CYS 5 HB2 CYS 5 -1.766 -2.193 -13.969 35 HB3 CYS 5 HB3 CYS 5 -0.644 -2.349 -12.621 36 H SER 6 H SER 6 -1.968 -1.050 -15.612 37 HA SER 6 HA SER 6 -3.291 1.576 -15.800 38 HB2 SER 6 HB2 SER 6 -1.428 0.899 -17.558 39 HB3 SER 6 HB3 SER 6 -2.758 -0.009 -18.279 40 HG SER 6 HG SER 6 -2.253 2.566 -18.513 41 H GLY 7 H GLY 7 -3.476 -1.804 -16.927 42 HA2 GLY 7 HA2 GLY 7 -6.373 -1.569 -17.179 43 HA3 GLY 7 HA3 GLY 7 -5.393 -2.937 -17.681 44 H THR 8 H THR 8 -7.452 -3.844 -16.536 45 HA THR 8 HA THR 8 -7.345 -3.877 -13.661 46 HB THR 8 HB THR 8 -8.929 -5.875 -15.229 47 HG1 THR 8 HG1 THR 8 -9.552 -4.122 -16.349 48 HG21 THR 8 HG21 THR 8 -8.815 -4.963 -12.543 49 HG22 THR 8 HG22 THR 8 -9.885 -6.178 -13.241 50 HG23 THR 8 HG23 THR 8 -10.377 -4.485 -13.208 51 H ARG 9 H ARG 9 -6.913 -6.361 -16.186 52 HA ARG 9 HA ARG 9 -6.148 -8.470 -14.580 53 HB2 ARG 9 HB2 ARG 9 -6.556 -8.852 -16.902 54 HB3 ARG 9 HB3 ARG 9 -5.286 -7.732 -17.374 55 HG2 ARG 9 HG2 ARG 9 -4.551 -10.001 -17.713 56 HG3 ARG 9 HG3 ARG 9 -3.613 -9.259 -16.417 57 HD2 ARG 9 HD2 ARG 9 -4.153 -11.424 -15.656 58 HD3 ARG 9 HD3 ARG 9 -5.247 -10.332 -14.808 59 HE ARG 9 HE ARG 9 -7.016 -11.301 -15.899 60 HH11 ARG 9 HH11 ARG 9 -4.043 -12.248 -17.444 61 HH12 ARG 9 HH12 ARG 9 -4.796 -13.430 -18.462 62 HH21 ARG 9 HH21 ARG 9 -8.019 -12.855 -17.234 63 HH22 ARG 9 HH22 ARG 9 -7.058 -13.773 -18.342 64 H GLN 10 H GLN 10 -4.141 -5.875 -15.911 65 HA GLN 10 HA GLN 10 -1.630 -6.773 -15.213 66 HB2 GLN 10 HB2 GLN 10 -2.675 -3.939 -15.118 67 HB3 GLN 10 HB3 GLN 10 -0.974 -4.386 -15.098 68 HG2 GLN 10 HG2 GLN 10 -1.459 -5.574 -17.312 69 HG3 GLN 10 HG3 GLN 10 -2.954 -4.640 -17.329 70 HE21 GLN 10 HE21 GLN 10 0.545 -4.431 -17.307 71 HE22 GLN 10 HE22 GLN 10 0.644 -2.845 -17.984 72 H CYS 11 H CYS 11 -4.139 -5.467 -13.175 73 HA CYS 11 HA CYS 11 -2.400 -5.152 -10.888 74 HB2 CYS 11 HB2 CYS 11 -4.254 -3.614 -11.129 75 HB3 CYS 11 HB3 CYS 11 -5.401 -4.947 -11.184 76 H TRP 12 H TRP 12 -4.834 -7.435 -12.024 77 HA TRP 12 HA TRP 12 -5.150 -8.988 -9.751 78 HB2 TRP 12 HB2 TRP 12 -5.135 -9.876 -12.643 79 HB3 TRP 12 HB3 TRP 12 -5.755 -10.830 -11.299 80 HD1 TRP 12 HD1 TRP 12 -6.824 -7.540 -10.399 81 HE1 TRP 12 HE1 TRP 12 -9.209 -7.025 -11.218 82 HE3 TRP 12 HE3 TRP 12 -7.339 -11.304 -13.819 83 HZ2 TRP 12 HZ2 TRP 12 -11.063 -8.075 -13.069 84 HZ3 TRP 12 HZ3 TRP 12 -9.450 -11.480 -15.071 85 HH2 TRP 12 HH2 TRP 12 -11.273 -9.897 -14.702 86 H GLY 13 H GLY 13 -2.622 -9.107 -12.217 87 HA2 GLY 13 HA2 GLY 13 -1.348 -11.464 -11.574 88 HA3 GLY 13 HA3 GLY 13 -0.516 -10.027 -12.150 89 HA PRO 14 HA PRO 14 1.436 -9.380 -8.283 90 HB2 PRO 14 HB2 PRO 14 1.051 -6.750 -7.730 91 HB3 PRO 14 HB3 PRO 14 2.128 -7.315 -9.012 92 HG2 PRO 14 HG2 PRO 14 -0.680 -6.297 -9.208 93 HG3 PRO 14 HG3 PRO 14 0.713 -5.942 -10.245 94 HD2 PRO 14 HD2 PRO 14 -1.204 -7.722 -10.943 95 HD3 PRO 14 HD3 PRO 14 0.493 -7.907 -11.430 96 H CYS 15 H CYS 15 -1.906 -8.343 -8.457 97 HA CYS 15 HA CYS 15 -2.332 -7.911 -5.700 98 HB2 CYS 15 HB2 CYS 15 -3.864 -7.099 -7.458 99 HB3 CYS 15 HB3 CYS 15 -4.323 -8.761 -7.813 100 H LYS 16 H LYS 16 -2.457 -10.779 -7.718 101 HA LYS 16 HA LYS 16 -3.723 -12.492 -5.865 102 HB2 LYS 16 HB2 LYS 16 -2.985 -12.727 -8.460 103 HB3 LYS 16 HB3 LYS 16 -1.723 -13.681 -7.691 104 HG2 LYS 16 HG2 LYS 16 -4.631 -14.132 -7.110 105 HG3 LYS 16 HG3 LYS 16 -3.809 -14.906 -8.467 106 HD2 LYS 16 HD2 LYS 16 -2.908 -15.098 -5.595 107 HD3 LYS 16 HD3 LYS 16 -3.903 -16.307 -6.411 108 HE2 LYS 16 HE2 LYS 16 -1.093 -15.474 -7.111 109 HE3 LYS 16 HE3 LYS 16 -1.615 -17.029 -6.467 110 HZ1 LYS 16 HZ1 LYS 16 -1.264 -17.248 -8.802 111 HZ2 LYS 16 HZ2 LYS 16 -2.239 -15.910 -9.144 112 HZ3 LYS 16 HZ3 LYS 16 -2.931 -17.324 -8.527 113 H LYS 17 H LYS 17 -0.324 -11.733 -6.477 114 HA LYS 17 HA LYS 17 0.869 -13.630 -4.832 115 HB2 LYS 17 HB2 LYS 17 1.892 -11.829 -6.438 116 HB3 LYS 17 HB3 LYS 17 1.964 -10.845 -4.983 117 HG2 LYS 17 HG2 LYS 17 4.061 -11.834 -5.093 118 HG3 LYS 17 HG3 LYS 17 3.188 -12.835 -3.931 119 HD2 LYS 17 HD2 LYS 17 4.239 -14.388 -5.318 120 HD3 LYS 17 HD3 LYS 17 2.596 -14.306 -5.957 121 HE2 LYS 17 HE2 LYS 17 3.247 -13.134 -7.838 122 HE3 LYS 17 HE3 LYS 17 4.709 -12.513 -7.072 123 HZ1 LYS 17 HZ1 LYS 17 4.309 -14.944 -8.548 124 HZ2 LYS 17 HZ2 LYS 17 5.099 -15.193 -7.073 125 HZ3 LYS 17 HZ3 LYS 17 5.742 -14.112 -8.204 126 H GLN 18 H GLN 18 -0.102 -10.300 -4.011 127 HA GLN 18 HA GLN 18 0.539 -10.598 -1.247 128 HB2 GLN 18 HB2 GLN 18 -0.855 -8.524 -2.892 129 HB3 GLN 18 HB3 GLN 18 -0.982 -8.460 -1.139 130 HG2 GLN 18 HG2 GLN 18 1.596 -8.620 -1.185 131 HG3 GLN 18 HG3 GLN 18 1.429 -8.130 -2.870 132 HE21 GLN 18 HE21 GLN 18 0.406 -7.221 0.395 133 HE22 GLN 18 HE22 GLN 18 0.453 -5.516 0.124 134 H THR 19 H THR 19 -2.488 -10.625 -3.096 135 HA THR 19 HA THR 19 -3.742 -12.088 -0.883 136 HB THR 19 HB THR 19 -5.744 -10.799 -0.943 137 HG1 THR 19 HG1 THR 19 -6.259 -9.534 -2.585 138 HG21 THR 19 HG21 THR 19 -3.378 -8.919 -0.982 139 HG22 THR 19 HG22 THR 19 -3.964 -9.824 0.413 140 HG23 THR 19 HG23 THR 19 -4.964 -8.559 -0.299 141 H THR 20 H THR 20 -4.506 -13.946 -1.621 142 HA THR 20 HA THR 20 -4.519 -14.870 -4.177 143 HB THR 20 HB THR 20 -6.520 -16.351 -3.398 144 HG1 THR 20 HG1 THR 20 -7.180 -16.066 -1.388 145 HG21 THR 20 HG21 THR 20 -4.330 -16.790 -1.500 146 HG22 THR 20 HG22 THR 20 -3.803 -16.565 -3.168 147 HG23 THR 20 HG23 THR 20 -4.956 -17.839 -2.772 148 H CYS 21 H CYS 21 -7.005 -12.928 -2.629 149 HA CYS 21 HA CYS 21 -8.945 -13.206 -4.690 150 HB2 CYS 21 HB2 CYS 21 -8.576 -11.299 -2.397 151 HB3 CYS 21 HB3 CYS 21 -9.842 -11.030 -3.591 152 H THR 22 H THR 22 -8.174 -12.733 -6.696 153 HA THR 22 HA THR 22 -6.499 -10.535 -7.306 154 HB THR 22 HB THR 22 -7.534 -10.990 -9.703 155 HG1 THR 22 HG1 THR 22 -9.155 -12.424 -8.568 156 HG21 THR 22 HG21 THR 22 -5.225 -11.553 -8.752 157 HG22 THR 22 HG22 THR 22 -5.802 -12.533 -10.100 158 HG23 THR 22 HG23 THR 22 -5.874 -13.165 -8.456 159 H ASN 23 H ASN 23 -9.912 -10.843 -6.884 160 HA ASN 23 HA ASN 23 -10.984 -8.853 -8.429 161 HB2 ASN 23 HB2 ASN 23 -12.073 -10.431 -6.644 162 HB3 ASN 23 HB3 ASN 23 -11.824 -9.067 -5.559 163 HD21 ASN 23 HD21 ASN 23 -13.315 -7.538 -5.512 164 HD22 ASN 23 HD22 ASN 23 -14.577 -7.327 -6.672 165 H SER 24 H SER 24 -10.040 -6.935 -8.764 166 HA SER 24 HA SER 24 -9.837 -5.095 -6.532 167 HB2 SER 24 HB2 SER 24 -7.607 -6.191 -6.612 168 HB3 SER 24 HB3 SER 24 -7.427 -5.648 -8.281 169 HG SER 24 HG SER 24 -7.093 -3.651 -7.614 170 H LYS 25 H LYS 25 -9.005 -2.883 -7.432 171 HA LYS 25 HA LYS 25 -10.027 -2.458 -10.153 172 HB2 LYS 25 HB2 LYS 25 -11.024 -1.287 -7.619 173 HB3 LYS 25 HB3 LYS 25 -10.852 -0.179 -8.974 174 HG2 LYS 25 HG2 LYS 25 -12.129 -2.247 -10.167 175 HG3 LYS 25 HG3 LYS 25 -12.785 -2.340 -8.531 176 HD2 LYS 25 HD2 LYS 25 -12.660 0.281 -9.976 177 HD3 LYS 25 HD3 LYS 25 -13.976 -0.853 -10.288 178 HE2 LYS 25 HE2 LYS 25 -14.409 -0.888 -7.823 179 HE3 LYS 25 HE3 LYS 25 -13.228 0.410 -7.655 180 HZ1 LYS 25 HZ1 LYS 25 -15.774 0.510 -9.177 181 HZ2 LYS 25 HZ2 LYS 25 -14.606 1.733 -9.200 182 HZ3 LYS 25 HZ3 LYS 25 -15.405 1.353 -7.759 183 H CYS 26 H CYS 26 -8.492 -1.542 -11.330 184 HA CYS 26 HA CYS 26 -6.306 -0.126 -10.048 185 HB2 CYS 26 HB2 CYS 26 -6.191 -1.831 -12.040 186 HB3 CYS 26 HB3 CYS 26 -6.572 -0.417 -13.017 187 H MET 27 H MET 27 -6.857 1.894 -9.447 188 HA MET 27 HA MET 27 -7.910 3.672 -11.547 189 HB2 MET 27 HB2 MET 27 -8.989 4.969 -9.661 190 HB3 MET 27 HB3 MET 27 -9.706 3.403 -10.018 191 HG2 MET 27 HG2 MET 27 -8.567 2.414 -8.127 192 HG3 MET 27 HG3 MET 27 -7.752 3.941 -7.794 193 HE1 MET 27 HE1 MET 27 -10.062 1.625 -6.999 194 HE2 MET 27 HE2 MET 27 -10.888 2.367 -5.629 195 HE3 MET 27 HE3 MET 27 -11.686 2.284 -7.200 196 H ASN 28 H ASN 28 -6.946 5.643 -11.769 197 HA ASN 28 HA ASN 28 -5.325 7.232 -11.631 198 HB2 ASN 28 HB2 ASN 28 -5.256 6.494 -8.697 199 HB3 ASN 28 HB3 ASN 28 -4.654 7.987 -9.414 200 HD21 ASN 28 HD21 ASN 28 -6.299 9.270 -10.625 201 HD22 ASN 28 HD22 ASN 28 -7.884 9.366 -9.946 202 H GLY 29 H GLY 29 -4.551 4.570 -12.328 203 HA2 GLY 29 HA2 GLY 29 -2.634 3.372 -12.721 204 HA3 GLY 29 HA3 GLY 29 -1.756 4.820 -12.252 205 H LYS 30 H LYS 30 -3.966 3.308 -10.037 206 HA LYS 30 HA LYS 30 -1.692 2.162 -8.558 207 HB2 LYS 30 HB2 LYS 30 -4.050 3.495 -7.231 208 HB3 LYS 30 HB3 LYS 30 -2.542 2.978 -6.486 209 HG2 LYS 30 HG2 LYS 30 -1.536 4.708 -8.231 210 HG3 LYS 30 HG3 LYS 30 -3.147 5.409 -8.065 211 HD2 LYS 30 HD2 LYS 30 -2.070 6.496 -6.366 212 HD3 LYS 30 HD3 LYS 30 -2.646 5.074 -5.494 213 HE2 LYS 30 HE2 LYS 30 -0.452 3.994 -5.912 214 HE3 LYS 30 HE3 LYS 30 0.107 5.492 -6.653 215 HZ1 LYS 30 HZ1 LYS 30 -0.599 4.998 -3.825 216 HZ2 LYS 30 HZ2 LYS 30 -0.521 6.565 -4.456 217 HZ3 LYS 30 HZ3 LYS 30 0.856 5.583 -4.460 218 H CYS 31 H CYS 31 -2.087 0.274 -7.410 219 HA CYS 31 HA CYS 31 -4.587 -1.094 -8.135 220 HB2 CYS 31 HB2 CYS 31 -2.643 -2.250 -8.958 221 HB3 CYS 31 HB3 CYS 31 -1.867 -2.175 -7.380 222 H LYS 32 H LYS 32 -6.062 -1.241 -6.595 223 HA LYS 32 HA LYS 32 -5.168 -1.357 -3.788 224 HB2 LYS 32 HB2 LYS 32 -6.434 0.691 -4.374 225 HB3 LYS 32 HB3 LYS 32 -7.795 -0.311 -4.862 226 HG2 LYS 32 HG2 LYS 32 -6.727 -0.668 -2.117 227 HG3 LYS 32 HG3 LYS 32 -7.652 0.795 -2.467 228 HD2 LYS 32 HD2 LYS 32 -9.335 -0.903 -3.546 229 HD3 LYS 32 HD3 LYS 32 -8.526 -2.059 -2.486 230 HE2 LYS 32 HE2 LYS 32 -9.846 0.514 -1.626 231 HE3 LYS 32 HE3 LYS 32 -10.510 -1.107 -1.422 232 HZ1 LYS 32 HZ1 LYS 32 -8.087 0.017 -0.133 233 HZ2 LYS 32 HZ2 LYS 32 -8.498 -1.623 -0.072 234 HZ3 LYS 32 HZ3 LYS 32 -9.522 -0.467 0.621 235 H CYS 33 H CYS 33 -5.098 -3.536 -3.459 236 HA CYS 33 HA CYS 33 -6.934 -5.409 -4.465 237 HB2 CYS 33 HB2 CYS 33 -4.851 -5.404 -2.338 238 HB3 CYS 33 HB3 CYS 33 -6.040 -6.702 -2.304 239 H TYR 34 H TYR 34 -8.829 -6.213 -3.719 240 HA TYR 34 HA TYR 34 -10.148 -4.712 -1.607 241 HB2 TYR 34 HB2 TYR 34 -11.107 -6.697 -3.660 242 HB3 TYR 34 HB3 TYR 34 -12.142 -6.146 -2.347 243 HD1 TYR 34 HD1 TYR 34 -11.979 -5.759 -5.599 244 HD2 TYR 34 HD2 TYR 34 -11.473 -3.303 -2.160 245 HE1 TYR 34 HE1 TYR 34 -12.599 -3.783 -6.925 246 HE2 TYR 34 HE2 TYR 34 -12.093 -1.321 -3.478 247 HH TYR 34 HH TYR 34 -12.443 -0.531 -5.563 248 H GLY 35 H GLY 35 -9.022 -7.976 -2.275 249 HA2 GLY 35 HA2 GLY 35 -8.470 -9.638 -0.756 250 HA3 GLY 35 HA3 GLY 35 -9.023 -8.588 0.541 251 H CYS 36 H CYS 36 -9.664 -11.075 0.943 252 HA CYS 36 HA CYS 36 -12.262 -11.673 -0.227 253 HB2 CYS 36 HB2 CYS 36 -10.680 -13.240 1.821 254 HB3 CYS 36 HB3 CYS 36 -12.089 -13.806 0.928 255 H VAL 37 H VAL 37 -14.070 -10.946 0.657 256 HA VAL 37 HA VAL 37 -14.058 -10.175 3.492 257 HB VAL 37 HB VAL 37 -16.057 -8.855 2.994 258 HG11 VAL 37 HG11 VAL 37 -13.679 -8.007 2.617 259 HG12 VAL 37 HG12 VAL 37 -14.011 -8.201 0.895 260 HG13 VAL 37 HG13 VAL 37 -14.990 -7.098 1.864 261 HG21 VAL 37 HG21 VAL 37 -16.165 -8.716 0.228 262 HG22 VAL 37 HG22 VAL 37 -16.023 -10.440 0.568 263 HG23 VAL 37 HG23 VAL 37 -17.334 -9.505 1.287 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.435 0.266 0.770 2 HA2 GLY 1 HA2 GLY 1 2.428 1.688 -1.506 3 HA3 GLY 1 HA3 GLY 1 3.340 0.192 -1.367 4 H ASP 2 H ASP 2 1.056 1.796 -3.147 5 HA ASP 2 HA ASP 2 -0.464 -0.538 -3.958 6 HB2 ASP 2 HB2 ASP 2 -0.501 2.297 -5.019 7 HB3 ASP 2 HB3 ASP 2 -1.637 1.025 -5.460 8 H ILE 3 H ILE 3 -0.337 -1.569 -5.924 9 HA ILE 3 HA ILE 3 2.208 -1.371 -7.277 10 HB ILE 3 HB ILE 3 -0.143 -3.183 -7.831 11 HG12 ILE 3 HG12 ILE 3 1.673 -4.835 -6.825 12 HG13 ILE 3 HG13 ILE 3 2.234 -3.366 -6.034 13 HG21 ILE 3 HG21 ILE 3 1.724 -4.543 -8.962 14 HG22 ILE 3 HG22 ILE 3 1.074 -3.145 -9.817 15 HG23 ILE 3 HG23 ILE 3 2.620 -3.025 -8.979 16 HD11 ILE 3 HD11 ILE 3 -0.649 -3.822 -5.845 17 HD12 ILE 3 HD12 ILE 3 0.350 -5.037 -5.045 18 HD13 ILE 3 HD13 ILE 3 0.513 -3.334 -4.611 19 H LYS 4 H LYS 4 2.598 -0.227 -9.047 20 HA LYS 4 HA LYS 4 0.617 1.369 -10.286 21 HB2 LYS 4 HB2 LYS 4 2.907 2.115 -10.255 22 HB3 LYS 4 HB3 LYS 4 3.439 0.676 -11.116 23 HG2 LYS 4 HG2 LYS 4 2.475 1.391 -13.131 24 HG3 LYS 4 HG3 LYS 4 1.504 2.624 -12.325 25 HD2 LYS 4 HD2 LYS 4 4.496 2.721 -12.207 26 HD3 LYS 4 HD3 LYS 4 3.634 3.338 -13.618 27 HE2 LYS 4 HE2 LYS 4 2.533 4.985 -12.361 28 HE3 LYS 4 HE3 LYS 4 2.918 4.197 -10.832 29 HZ1 LYS 4 HZ1 LYS 4 4.550 5.958 -12.475 30 HZ2 LYS 4 HZ2 LYS 4 5.359 4.671 -11.735 31 HZ3 LYS 4 HZ3 LYS 4 4.501 5.784 -10.793 32 H CYS 5 H CYS 5 -0.442 1.172 -12.223 33 HA CYS 5 HA CYS 5 0.107 -0.844 -14.139 34 HB2 CYS 5 HB2 CYS 5 -1.991 -2.162 -13.820 35 HB3 CYS 5 HB3 CYS 5 -0.824 -2.367 -12.518 36 H SER 6 H SER 6 -2.060 -1.122 -15.558 37 HA SER 6 HA SER 6 -3.203 1.575 -15.881 38 HB2 SER 6 HB2 SER 6 -2.254 -0.326 -18.035 39 HB3 SER 6 HB3 SER 6 -3.198 1.129 -18.352 40 HG SER 6 HG SER 6 -1.456 2.273 -18.123 41 H GLY 7 H GLY 7 -3.635 -1.881 -16.588 42 HA2 GLY 7 HA2 GLY 7 -6.540 -1.415 -16.756 43 HA3 GLY 7 HA3 GLY 7 -5.697 -2.795 -17.444 44 H THR 8 H THR 8 -7.578 -3.818 -16.234 45 HA THR 8 HA THR 8 -7.343 -3.982 -13.371 46 HB THR 8 HB THR 8 -8.914 -6.096 -14.640 47 HG1 THR 8 HG1 THR 8 -9.511 -3.364 -15.201 48 HG21 THR 8 HG21 THR 8 -8.904 -4.819 -12.247 49 HG22 THR 8 HG22 THR 8 -10.279 -5.724 -12.880 50 HG23 THR 8 HG23 THR 8 -10.214 -3.973 -13.069 51 H ARG 9 H ARG 9 -6.866 -6.276 -16.057 52 HA ARG 9 HA ARG 9 -6.021 -8.472 -14.614 53 HB2 ARG 9 HB2 ARG 9 -6.431 -8.669 -16.968 54 HB3 ARG 9 HB3 ARG 9 -5.171 -7.501 -17.342 55 HG2 ARG 9 HG2 ARG 9 -3.471 -9.054 -16.566 56 HG3 ARG 9 HG3 ARG 9 -4.721 -10.219 -16.127 57 HD2 ARG 9 HD2 ARG 9 -4.856 -10.974 -18.218 58 HD3 ARG 9 HD3 ARG 9 -5.027 -9.340 -18.859 59 HE ARG 9 HE ARG 9 -2.646 -10.931 -18.801 60 HH11 ARG 9 HH11 ARG 9 -3.883 -7.677 -18.806 61 HH12 ARG 9 HH12 ARG 9 -2.448 -6.993 -19.494 62 HH21 ARG 9 HH21 ARG 9 -0.751 -10.043 -19.707 63 HH22 ARG 9 HH22 ARG 9 -0.667 -8.339 -20.006 64 H GLN 10 H GLN 10 -4.057 -5.784 -15.855 65 HA GLN 10 HA GLN 10 -1.543 -6.657 -15.142 66 HB2 GLN 10 HB2 GLN 10 -2.668 -3.855 -15.070 67 HB3 GLN 10 HB3 GLN 10 -0.956 -4.230 -14.925 68 HG2 GLN 10 HG2 GLN 10 -2.609 -5.073 -17.285 69 HG3 GLN 10 HG3 GLN 10 -1.766 -3.526 -17.205 70 HE21 GLN 10 HE21 GLN 10 0.066 -3.553 -18.270 71 HE22 GLN 10 HE22 GLN 10 1.157 -4.886 -18.401 72 H CYS 11 H CYS 11 -4.086 -5.402 -13.109 73 HA CYS 11 HA CYS 11 -2.371 -5.115 -10.799 74 HB2 CYS 11 HB2 CYS 11 -4.241 -3.587 -11.046 75 HB3 CYS 11 HB3 CYS 11 -5.374 -4.933 -11.111 76 H TRP 12 H TRP 12 -4.760 -7.404 -12.012 77 HA TRP 12 HA TRP 12 -5.108 -8.993 -9.768 78 HB2 TRP 12 HB2 TRP 12 -5.014 -9.839 -12.672 79 HB3 TRP 12 HB3 TRP 12 -5.656 -10.819 -11.356 80 HD1 TRP 12 HD1 TRP 12 -6.788 -7.560 -10.431 81 HE1 TRP 12 HE1 TRP 12 -9.157 -7.058 -11.303 82 HE3 TRP 12 HE3 TRP 12 -7.168 -11.271 -13.928 83 HZ2 TRP 12 HZ2 TRP 12 -10.950 -8.098 -13.219 84 HZ3 TRP 12 HZ3 TRP 12 -9.244 -11.449 -15.237 85 HH2 TRP 12 HH2 TRP 12 -11.095 -9.895 -14.888 86 H GLY 13 H GLY 13 -2.529 -9.061 -12.186 87 HA2 GLY 13 HA2 GLY 13 -1.242 -11.407 -11.535 88 HA3 GLY 13 HA3 GLY 13 -0.415 -9.957 -12.085 89 HA PRO 14 HA PRO 14 1.454 -9.314 -8.176 90 HB2 PRO 14 HB2 PRO 14 1.020 -6.695 -7.607 91 HB3 PRO 14 HB3 PRO 14 2.129 -7.231 -8.874 92 HG2 PRO 14 HG2 PRO 14 -0.690 -6.254 -9.114 93 HG3 PRO 14 HG3 PRO 14 0.718 -5.869 -10.123 94 HD2 PRO 14 HD2 PRO 14 -1.160 -7.669 -10.870 95 HD3 PRO 14 HD3 PRO 14 0.548 -7.826 -11.328 96 H CYS 15 H CYS 15 -1.904 -8.362 -8.411 97 HA CYS 15 HA CYS 15 -2.388 -7.948 -5.656 98 HB2 CYS 15 HB2 CYS 15 -3.902 -7.137 -7.421 99 HB3 CYS 15 HB3 CYS 15 -4.317 -8.799 -7.824 100 H LYS 16 H LYS 16 -2.328 -10.798 -7.679 101 HA LYS 16 HA LYS 16 -3.601 -12.535 -5.809 102 HB2 LYS 16 HB2 LYS 16 -2.981 -12.728 -8.446 103 HB3 LYS 16 HB3 LYS 16 -1.708 -13.716 -7.743 104 HG2 LYS 16 HG2 LYS 16 -4.614 -14.115 -7.096 105 HG3 LYS 16 HG3 LYS 16 -3.810 -14.920 -8.445 106 HD2 LYS 16 HD2 LYS 16 -2.925 -15.089 -5.565 107 HD3 LYS 16 HD3 LYS 16 -3.907 -16.303 -6.387 108 HE2 LYS 16 HE2 LYS 16 -2.052 -16.491 -8.080 109 HE3 LYS 16 HE3 LYS 16 -1.077 -15.485 -7.011 110 HZ1 LYS 16 HZ1 LYS 16 -0.789 -17.157 -5.555 111 HZ2 LYS 16 HZ2 LYS 16 -1.113 -18.136 -6.894 112 HZ3 LYS 16 HZ3 LYS 16 -2.340 -17.792 -5.780 113 H LYS 17 H LYS 17 -0.244 -11.743 -6.573 114 HA LYS 17 HA LYS 17 1.028 -13.674 -5.014 115 HB2 LYS 17 HB2 LYS 17 1.996 -11.916 -6.674 116 HB3 LYS 17 HB3 LYS 17 2.110 -10.883 -5.255 117 HG2 LYS 17 HG2 LYS 17 4.200 -11.830 -5.319 118 HG3 LYS 17 HG3 LYS 17 3.354 -12.912 -4.208 119 HD2 LYS 17 HD2 LYS 17 3.225 -14.618 -5.758 120 HD3 LYS 17 HD3 LYS 17 3.361 -13.519 -7.133 121 HE2 LYS 17 HE2 LYS 17 5.430 -14.568 -7.103 122 HE3 LYS 17 HE3 LYS 17 5.740 -13.064 -6.236 123 HZ1 LYS 17 HZ1 LYS 17 6.480 -14.288 -4.564 124 HZ2 LYS 17 HZ2 LYS 17 6.022 -15.726 -5.327 125 HZ3 LYS 17 HZ3 LYS 17 4.920 -14.904 -4.341 126 H GLN 18 H GLN 18 -0.402 -10.594 -4.124 127 HA GLN 18 HA GLN 18 0.548 -10.834 -1.383 128 HB2 GLN 18 HB2 GLN 18 -0.812 -8.711 -2.980 129 HB3 GLN 18 HB3 GLN 18 -0.985 -8.680 -1.230 130 HG2 GLN 18 HG2 GLN 18 1.577 -8.849 -1.182 131 HG3 GLN 18 HG3 GLN 18 1.491 -8.379 -2.880 132 HE21 GLN 18 HE21 GLN 18 -0.313 -6.507 -3.068 133 HE22 GLN 18 HE22 GLN 18 0.024 -5.156 -2.046 134 H THR 19 H THR 19 -2.528 -10.783 -3.149 135 HA THR 19 HA THR 19 -3.744 -12.269 -0.930 136 HB THR 19 HB THR 19 -5.736 -10.952 -0.929 137 HG1 THR 19 HG1 THR 19 -4.555 -9.586 -3.132 138 HG21 THR 19 HG21 THR 19 -3.392 -10.021 0.028 139 HG22 THR 19 HG22 THR 19 -4.933 -9.189 0.246 140 HG23 THR 19 HG23 THR 19 -3.837 -8.694 -1.044 141 H THR 20 H THR 20 -4.606 -14.088 -1.661 142 HA THR 20 HA THR 20 -4.677 -14.992 -4.225 143 HB THR 20 HB THR 20 -6.468 -16.574 -3.535 144 HG1 THR 20 HG1 THR 20 -7.769 -15.635 -2.108 145 HG21 THR 20 HG21 THR 20 -5.199 -17.594 -1.649 146 HG22 THR 20 HG22 THR 20 -4.214 -16.134 -1.575 147 HG23 THR 20 HG23 THR 20 -4.185 -17.145 -3.019 148 H CYS 21 H CYS 21 -7.079 -12.985 -2.630 149 HA CYS 21 HA CYS 21 -9.054 -13.187 -4.670 150 HB2 CYS 21 HB2 CYS 21 -8.604 -11.270 -2.391 151 HB3 CYS 21 HB3 CYS 21 -9.914 -11.037 -3.543 152 H THR 22 H THR 22 -8.253 -12.728 -6.676 153 HA THR 22 HA THR 22 -6.544 -10.554 -7.271 154 HB THR 22 HB THR 22 -7.537 -10.975 -9.673 155 HG1 THR 22 HG1 THR 22 -8.906 -12.582 -9.791 156 HG21 THR 22 HG21 THR 22 -5.280 -11.582 -9.027 157 HG22 THR 22 HG22 THR 22 -6.013 -12.910 -9.927 158 HG23 THR 22 HG23 THR 22 -5.877 -13.003 -8.171 159 H ASN 23 H ASN 23 -9.966 -10.818 -6.874 160 HA ASN 23 HA ASN 23 -10.996 -8.800 -8.410 161 HB2 ASN 23 HB2 ASN 23 -12.160 -10.369 -6.704 162 HB3 ASN 23 HB3 ASN 23 -11.837 -9.089 -5.538 163 HD21 ASN 23 HD21 ASN 23 -12.922 -7.146 -5.699 164 HD22 ASN 23 HD22 ASN 23 -14.310 -6.939 -6.708 165 H SER 24 H SER 24 -10.021 -6.891 -8.719 166 HA SER 24 HA SER 24 -9.798 -5.084 -6.458 167 HB2 SER 24 HB2 SER 24 -7.581 -6.171 -6.547 168 HB3 SER 24 HB3 SER 24 -7.411 -5.669 -8.230 169 HG SER 24 HG SER 24 -6.469 -4.304 -6.436 170 H LYS 25 H LYS 25 -9.032 -2.856 -7.291 171 HA LYS 25 HA LYS 25 -10.090 -2.381 -9.995 172 HB2 LYS 25 HB2 LYS 25 -10.845 -1.072 -7.414 173 HB3 LYS 25 HB3 LYS 25 -10.878 -0.121 -8.894 174 HG2 LYS 25 HG2 LYS 25 -12.249 -2.757 -8.882 175 HG3 LYS 25 HG3 LYS 25 -13.004 -1.407 -8.033 176 HD2 LYS 25 HD2 LYS 25 -12.636 -0.082 -10.191 177 HD3 LYS 25 HD3 LYS 25 -12.321 -1.643 -10.951 178 HE2 LYS 25 HE2 LYS 25 -14.800 -1.216 -9.329 179 HE3 LYS 25 HE3 LYS 25 -14.722 -0.659 -11.000 180 HZ1 LYS 25 HZ1 LYS 25 -14.919 -2.728 -11.762 181 HZ2 LYS 25 HZ2 LYS 25 -15.417 -3.153 -10.203 182 HZ3 LYS 25 HZ3 LYS 25 -13.800 -3.356 -10.659 183 H CYS 26 H CYS 26 -8.578 -1.506 -11.231 184 HA CYS 26 HA CYS 26 -6.324 -0.121 -10.013 185 HB2 CYS 26 HB2 CYS 26 -6.129 -1.899 -11.854 186 HB3 CYS 26 HB3 CYS 26 -6.706 -0.651 -12.954 187 H MET 27 H MET 27 -6.948 1.908 -9.448 188 HA MET 27 HA MET 27 -7.911 3.635 -11.631 189 HB2 MET 27 HB2 MET 27 -9.207 4.914 -10.034 190 HB3 MET 27 HB3 MET 27 -9.674 3.220 -9.945 191 HG2 MET 27 HG2 MET 27 -8.106 3.015 -7.984 192 HG3 MET 27 HG3 MET 27 -7.976 4.772 -8.015 193 HE1 MET 27 HE1 MET 27 -10.276 2.699 -5.326 194 HE2 MET 27 HE2 MET 27 -10.821 1.841 -6.768 195 HE3 MET 27 HE3 MET 27 -9.096 2.066 -6.474 196 H ASN 28 H ASN 28 -6.926 5.595 -11.881 197 HA ASN 28 HA ASN 28 -5.326 7.202 -11.717 198 HB2 ASN 28 HB2 ASN 28 -6.445 7.274 -9.346 199 HB3 ASN 28 HB3 ASN 28 -4.920 6.570 -8.815 200 HD21 ASN 28 HD21 ASN 28 -6.170 9.227 -10.799 201 HD22 ASN 28 HD22 ASN 28 -4.975 10.378 -10.314 202 H GLY 29 H GLY 29 -4.559 4.542 -12.431 203 HA2 GLY 29 HA2 GLY 29 -2.649 3.335 -12.829 204 HA3 GLY 29 HA3 GLY 29 -1.765 4.785 -12.375 205 H LYS 30 H LYS 30 -3.954 3.285 -10.132 206 HA LYS 30 HA LYS 30 -1.664 2.159 -8.663 207 HB2 LYS 30 HB2 LYS 30 -4.034 3.470 -7.336 208 HB3 LYS 30 HB3 LYS 30 -2.524 2.964 -6.590 209 HG2 LYS 30 HG2 LYS 30 -1.537 4.702 -8.346 210 HG3 LYS 30 HG3 LYS 30 -3.151 5.392 -8.158 211 HD2 LYS 30 HD2 LYS 30 -2.780 5.322 -5.673 212 HD3 LYS 30 HD3 LYS 30 -1.102 4.887 -6.007 213 HE2 LYS 30 HE2 LYS 30 -2.338 7.319 -7.245 214 HE3 LYS 30 HE3 LYS 30 -1.699 7.369 -5.603 215 HZ1 LYS 30 HZ1 LYS 30 0.444 6.642 -6.456 216 HZ2 LYS 30 HZ2 LYS 30 -0.044 8.079 -7.203 217 HZ3 LYS 30 HZ3 LYS 30 -0.169 6.610 -8.032 218 H CYS 31 H CYS 31 -2.060 0.296 -7.443 219 HA CYS 31 HA CYS 31 -4.511 -1.133 -8.212 220 HB2 CYS 31 HB2 CYS 31 -2.518 -2.270 -8.941 221 HB3 CYS 31 HB3 CYS 31 -1.802 -2.148 -7.337 222 H LYS 32 H LYS 32 -6.038 -1.199 -6.713 223 HA LYS 32 HA LYS 32 -5.226 -1.349 -3.882 224 HB2 LYS 32 HB2 LYS 32 -6.280 0.763 -4.216 225 HB3 LYS 32 HB3 LYS 32 -7.578 0.043 -5.159 226 HG2 LYS 32 HG2 LYS 32 -8.337 0.663 -2.933 227 HG3 LYS 32 HG3 LYS 32 -8.417 -1.084 -3.171 228 HD2 LYS 32 HD2 LYS 32 -7.523 -0.668 -0.988 229 HD3 LYS 32 HD3 LYS 32 -6.216 -1.270 -2.009 230 HE2 LYS 32 HE2 LYS 32 -6.624 1.669 -1.824 231 HE3 LYS 32 HE3 LYS 32 -5.904 0.840 -0.446 232 HZ1 LYS 32 HZ1 LYS 32 -4.489 -0.186 -2.458 233 HZ2 LYS 32 HZ2 LYS 32 -4.019 1.185 -1.588 234 HZ3 LYS 32 HZ3 LYS 32 -4.802 1.358 -3.076 235 H CYS 33 H CYS 33 -5.318 -3.531 -3.577 236 HA CYS 33 HA CYS 33 -7.270 -5.253 -4.644 237 HB2 CYS 33 HB2 CYS 33 -5.306 -5.455 -2.387 238 HB3 CYS 33 HB3 CYS 33 -6.513 -6.717 -2.610 239 H TYR 34 H TYR 34 -9.002 -6.350 -3.568 240 HA TYR 34 HA TYR 34 -10.394 -4.605 -1.674 241 HB2 TYR 34 HB2 TYR 34 -11.279 -6.698 -3.626 242 HB3 TYR 34 HB3 TYR 34 -12.317 -6.286 -2.265 243 HD1 TYR 34 HD1 TYR 34 -10.215 -4.320 -4.660 244 HD2 TYR 34 HD2 TYR 34 -14.037 -4.888 -2.879 245 HE1 TYR 34 HE1 TYR 34 -11.079 -2.389 -5.915 246 HE2 TYR 34 HE2 TYR 34 -14.912 -2.958 -4.129 247 HH TYR 34 HH TYR 34 -14.440 -1.302 -5.526 248 H GLY 35 H GLY 35 -9.189 -7.886 -2.050 249 HA2 GLY 35 HA2 GLY 35 -8.576 -9.379 -0.385 250 HA3 GLY 35 HA3 GLY 35 -9.165 -8.236 0.813 251 H CYS 36 H CYS 36 -9.558 -11.087 0.787 252 HA CYS 36 HA CYS 36 -12.204 -11.685 -0.091 253 HB2 CYS 36 HB2 CYS 36 -10.520 -13.141 1.957 254 HB3 CYS 36 HB3 CYS 36 -11.923 -13.784 1.111 255 H VAL 37 H VAL 37 -13.998 -10.922 0.791 256 HA VAL 37 HA VAL 37 -14.032 -10.397 3.693 257 HB VAL 37 HB VAL 37 -15.748 -8.704 3.289 258 HG11 VAL 37 HG11 VAL 37 -13.415 -8.161 1.467 259 HG12 VAL 37 HG12 VAL 37 -14.336 -7.005 2.430 260 HG13 VAL 37 HG13 VAL 37 -13.280 -8.174 3.225 261 HG21 VAL 37 HG21 VAL 37 -15.363 -9.469 0.403 262 HG22 VAL 37 HG22 VAL 37 -16.850 -9.514 1.349 263 HG23 VAL 37 HG23 VAL 37 -16.132 -7.965 0.910 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.832 -1.984 -0.509 2 HA2 GLY 1 HA2 GLY 1 2.191 0.380 -1.202 3 HA3 GLY 1 HA3 GLY 1 3.196 -0.993 -1.642 4 H ASP 2 H ASP 2 0.515 0.942 -2.488 5 HA ASP 2 HA ASP 2 -0.977 -0.674 -4.159 6 HB2 ASP 2 HB2 ASP 2 -1.290 1.524 -5.509 7 HB3 ASP 2 HB3 ASP 2 -1.848 1.464 -3.840 8 H ILE 3 H ILE 3 -0.586 -1.726 -5.991 9 HA ILE 3 HA ILE 3 2.000 -1.476 -7.259 10 HB ILE 3 HB ILE 3 -0.333 -3.257 -7.971 11 HG12 ILE 3 HG12 ILE 3 1.437 -4.955 -6.958 12 HG13 ILE 3 HG13 ILE 3 1.964 -3.523 -6.084 13 HG21 ILE 3 HG21 ILE 3 0.969 -3.137 -9.901 14 HG22 ILE 3 HG22 ILE 3 2.478 -3.066 -8.991 15 HG23 ILE 3 HG23 ILE 3 1.572 -4.577 -9.079 16 HD11 ILE 3 HD11 ILE 3 -0.081 -3.312 -4.975 17 HD12 ILE 3 HD12 ILE 3 -0.899 -4.402 -6.097 18 HD13 ILE 3 HD13 ILE 3 0.277 -5.039 -4.946 19 H LYS 4 H LYS 4 2.437 -0.240 -8.955 20 HA LYS 4 HA LYS 4 0.452 1.365 -10.201 21 HB2 LYS 4 HB2 LYS 4 2.722 2.180 -9.970 22 HB3 LYS 4 HB3 LYS 4 3.338 0.843 -10.931 23 HG2 LYS 4 HG2 LYS 4 2.444 1.704 -12.914 24 HG3 LYS 4 HG3 LYS 4 1.373 2.810 -12.052 25 HD2 LYS 4 HD2 LYS 4 3.075 4.200 -12.821 26 HD3 LYS 4 HD3 LYS 4 3.547 3.866 -11.154 27 HE2 LYS 4 HE2 LYS 4 5.513 3.604 -12.410 28 HE3 LYS 4 HE3 LYS 4 4.946 1.964 -12.100 29 HZ1 LYS 4 HZ1 LYS 4 4.461 1.620 -14.265 30 HZ2 LYS 4 HZ2 LYS 4 5.661 2.789 -14.497 31 HZ3 LYS 4 HZ3 LYS 4 4.028 3.230 -14.559 32 H CYS 5 H CYS 5 -0.557 1.176 -12.144 33 HA CYS 5 HA CYS 5 0.223 -0.643 -14.178 34 HB2 CYS 5 HB2 CYS 5 -1.761 -2.151 -14.022 35 HB3 CYS 5 HB3 CYS 5 -0.620 -2.349 -12.697 36 H SER 6 H SER 6 -1.972 -1.039 -15.611 37 HA SER 6 HA SER 6 -3.277 1.592 -15.826 38 HB2 SER 6 HB2 SER 6 -1.442 1.110 -17.557 39 HB3 SER 6 HB3 SER 6 -2.555 -0.084 -18.228 40 HG SER 6 HG SER 6 -2.548 2.276 -18.989 41 H GLY 7 H GLY 7 -3.459 -1.804 -16.893 42 HA2 GLY 7 HA2 GLY 7 -6.358 -1.561 -17.167 43 HA3 GLY 7 HA3 GLY 7 -5.378 -2.930 -17.672 44 H THR 8 H THR 8 -7.445 -3.827 -16.522 45 HA THR 8 HA THR 8 -7.327 -3.868 -13.647 46 HB THR 8 HB THR 8 -8.929 -5.857 -15.204 47 HG1 THR 8 HG1 THR 8 -9.993 -4.323 -16.183 48 HG21 THR 8 HG21 THR 8 -8.806 -4.918 -12.525 49 HG22 THR 8 HG22 THR 8 -9.877 -6.141 -13.210 50 HG23 THR 8 HG23 THR 8 -10.368 -4.447 -13.194 51 H ARG 9 H ARG 9 -6.917 -6.346 -16.181 52 HA ARG 9 HA ARG 9 -6.161 -8.465 -14.588 53 HB2 ARG 9 HB2 ARG 9 -4.913 -9.295 -16.600 54 HB3 ARG 9 HB3 ARG 9 -6.578 -8.825 -16.914 55 HG2 ARG 9 HG2 ARG 9 -5.770 -6.662 -17.785 56 HG3 ARG 9 HG3 ARG 9 -4.112 -7.215 -17.540 57 HD2 ARG 9 HD2 ARG 9 -4.835 -9.235 -18.992 58 HD3 ARG 9 HD3 ARG 9 -6.166 -8.189 -19.489 59 HE ARG 9 HE ARG 9 -3.782 -6.761 -19.775 60 HH11 ARG 9 HH11 ARG 9 -5.386 -9.528 -21.151 61 HH12 ARG 9 HH12 ARG 9 -4.648 -9.345 -22.708 62 HH21 ARG 9 HH21 ARG 9 -2.804 -6.510 -21.819 63 HH22 ARG 9 HH22 ARG 9 -3.178 -7.629 -23.087 64 H GLN 10 H GLN 10 -4.136 -5.883 -15.919 65 HA GLN 10 HA GLN 10 -1.632 -6.801 -15.220 66 HB2 GLN 10 HB2 GLN 10 -2.812 -4.060 -15.458 67 HB3 GLN 10 HB3 GLN 10 -1.169 -4.245 -14.856 68 HG2 GLN 10 HG2 GLN 10 -0.361 -4.965 -16.866 69 HG3 GLN 10 HG3 GLN 10 -1.913 -5.627 -17.377 70 HE21 GLN 10 HE21 GLN 10 -3.108 -4.477 -18.734 71 HE22 GLN 10 HE22 GLN 10 -2.839 -2.823 -19.156 72 H CYS 11 H CYS 11 -4.132 -5.476 -13.185 73 HA CYS 11 HA CYS 11 -2.391 -5.162 -10.900 74 HB2 CYS 11 HB2 CYS 11 -4.229 -3.613 -11.122 75 HB3 CYS 11 HB3 CYS 11 -5.389 -4.936 -11.213 76 H TRP 12 H TRP 12 -4.832 -7.440 -12.029 77 HA TRP 12 HA TRP 12 -5.151 -8.987 -9.751 78 HB2 TRP 12 HB2 TRP 12 -5.143 -9.879 -12.641 79 HB3 TRP 12 HB3 TRP 12 -5.763 -10.831 -11.295 80 HD1 TRP 12 HD1 TRP 12 -6.821 -7.536 -10.400 81 HE1 TRP 12 HE1 TRP 12 -9.207 -7.017 -11.214 82 HE3 TRP 12 HE3 TRP 12 -7.355 -11.309 -13.807 83 HZ2 TRP 12 HZ2 TRP 12 -11.070 -8.069 -13.057 84 HZ3 TRP 12 HZ3 TRP 12 -9.469 -11.484 -15.053 85 HH2 TRP 12 HH2 TRP 12 -11.287 -9.895 -14.684 86 H GLY 13 H GLY 13 -2.626 -9.118 -12.219 87 HA2 GLY 13 HA2 GLY 13 -1.359 -11.478 -11.573 88 HA3 GLY 13 HA3 GLY 13 -0.523 -10.045 -12.152 89 HA PRO 14 HA PRO 14 1.434 -9.396 -8.287 90 HB2 PRO 14 HB2 PRO 14 1.055 -6.764 -7.737 91 HB3 PRO 14 HB3 PRO 14 2.131 -7.333 -9.020 92 HG2 PRO 14 HG2 PRO 14 -0.676 -6.310 -9.215 93 HG3 PRO 14 HG3 PRO 14 0.718 -5.959 -10.254 94 HD2 PRO 14 HD2 PRO 14 -1.204 -7.735 -10.947 95 HD3 PRO 14 HD3 PRO 14 0.491 -7.925 -11.436 96 H CYS 15 H CYS 15 -1.904 -8.342 -8.459 97 HA CYS 15 HA CYS 15 -2.326 -7.909 -5.701 98 HB2 CYS 15 HB2 CYS 15 -3.855 -7.094 -7.462 99 HB3 CYS 15 HB3 CYS 15 -4.325 -8.755 -7.809 100 H LYS 16 H LYS 16 -2.459 -10.778 -7.717 101 HA LYS 16 HA LYS 16 -3.733 -12.485 -5.865 102 HB2 LYS 16 HB2 LYS 16 -2.997 -12.725 -8.459 103 HB3 LYS 16 HB3 LYS 16 -1.736 -13.680 -7.690 104 HG2 LYS 16 HG2 LYS 16 -4.643 -14.128 -7.103 105 HG3 LYS 16 HG3 LYS 16 -3.828 -14.901 -8.464 106 HD2 LYS 16 HD2 LYS 16 -2.920 -15.100 -5.594 107 HD3 LYS 16 HD3 LYS 16 -3.915 -16.307 -6.412 108 HE2 LYS 16 HE2 LYS 16 -2.015 -17.271 -7.059 109 HE3 LYS 16 HE3 LYS 16 -1.787 -15.898 -8.140 110 HZ1 LYS 16 HZ1 LYS 16 -0.954 -15.366 -5.445 111 HZ2 LYS 16 HZ2 LYS 16 -0.127 -15.118 -6.899 112 HZ3 LYS 16 HZ3 LYS 16 -0.095 -16.638 -6.156 113 H LYS 17 H LYS 17 -0.332 -11.739 -6.474 114 HA LYS 17 HA LYS 17 0.854 -13.638 -4.828 115 HB2 LYS 17 HB2 LYS 17 1.914 -11.896 -6.437 116 HB3 LYS 17 HB3 LYS 17 1.929 -10.840 -5.030 117 HG2 LYS 17 HG2 LYS 17 4.017 -11.755 -4.903 118 HG3 LYS 17 HG3 LYS 17 3.109 -12.880 -3.890 119 HD2 LYS 17 HD2 LYS 17 4.316 -14.307 -5.257 120 HD3 LYS 17 HD3 LYS 17 2.770 -14.198 -6.101 121 HE2 LYS 17 HE2 LYS 17 3.855 -12.276 -7.414 122 HE3 LYS 17 HE3 LYS 17 5.383 -12.883 -6.777 123 HZ1 LYS 17 HZ1 LYS 17 3.532 -14.148 -8.677 124 HZ2 LYS 17 HZ2 LYS 17 4.504 -15.128 -7.700 125 HZ3 LYS 17 HZ3 LYS 17 5.217 -14.009 -8.750 126 H GLN 18 H GLN 18 -0.104 -10.305 -4.011 127 HA GLN 18 HA GLN 18 0.535 -10.602 -1.246 128 HB2 GLN 18 HB2 GLN 18 -0.779 -8.520 -2.925 129 HB3 GLN 18 HB3 GLN 18 -1.040 -8.464 -1.187 130 HG2 GLN 18 HG2 GLN 18 1.728 -8.681 -2.285 131 HG3 GLN 18 HG3 GLN 18 0.904 -7.123 -2.238 132 HE21 GLN 18 HE21 GLN 18 2.066 -9.798 -0.293 133 HE22 GLN 18 HE22 GLN 18 2.184 -8.916 1.189 134 H THR 19 H THR 19 -2.490 -10.622 -3.097 135 HA THR 19 HA THR 19 -3.753 -12.073 -0.881 136 HB THR 19 HB THR 19 -5.761 -10.780 -0.969 137 HG1 THR 19 HG1 THR 19 -5.935 -10.237 -3.115 138 HG21 THR 19 HG21 THR 19 -3.403 -8.892 -0.964 139 HG22 THR 19 HG22 THR 19 -3.962 -9.842 0.412 140 HG23 THR 19 HG23 THR 19 -4.987 -8.574 -0.258 141 H THR 20 H THR 20 -4.514 -13.934 -1.617 142 HA THR 20 HA THR 20 -4.527 -14.867 -4.167 143 HB THR 20 HB THR 20 -6.543 -16.332 -3.382 144 HG1 THR 20 HG1 THR 20 -7.295 -15.850 -1.472 145 HG21 THR 20 HG21 THR 20 -4.008 -16.456 -1.756 146 HG22 THR 20 HG22 THR 20 -4.093 -16.944 -3.448 147 HG23 THR 20 HG23 THR 20 -5.054 -17.791 -2.237 148 H CYS 21 H CYS 21 -7.014 -12.916 -2.632 149 HA CYS 21 HA CYS 21 -8.947 -13.194 -4.700 150 HB2 CYS 21 HB2 CYS 21 -8.586 -11.307 -2.392 151 HB3 CYS 21 HB3 CYS 21 -9.828 -11.000 -3.601 152 H THR 22 H THR 22 -8.186 -12.715 -6.706 153 HA THR 22 HA THR 22 -6.496 -10.529 -7.313 154 HB THR 22 HB THR 22 -7.484 -10.959 -9.709 155 HG1 THR 22 HG1 THR 22 -9.210 -12.245 -9.297 156 HG21 THR 22 HG21 THR 22 -5.635 -12.609 -8.064 157 HG22 THR 22 HG22 THR 22 -5.313 -11.649 -9.509 158 HG23 THR 22 HG23 THR 22 -6.098 -13.222 -9.651 159 H ASN 23 H ASN 23 -9.909 -10.810 -6.880 160 HA ASN 23 HA ASN 23 -10.973 -8.811 -8.418 161 HB2 ASN 23 HB2 ASN 23 -12.061 -10.381 -6.623 162 HB3 ASN 23 HB3 ASN 23 -11.799 -9.014 -5.543 163 HD21 ASN 23 HD21 ASN 23 -13.210 -7.388 -5.562 164 HD22 ASN 23 HD22 ASN 23 -14.505 -7.209 -6.692 165 H SER 24 H SER 24 -10.016 -6.899 -8.757 166 HA SER 24 HA SER 24 -9.788 -5.060 -6.527 167 HB2 SER 24 HB2 SER 24 -7.571 -6.158 -6.591 168 HB3 SER 24 HB3 SER 24 -7.389 -5.661 -8.273 169 HG SER 24 HG SER 24 -6.427 -4.277 -6.555 170 H LYS 25 H LYS 25 -8.982 -2.850 -7.408 171 HA LYS 25 HA LYS 25 -9.995 -2.421 -10.135 172 HB2 LYS 25 HB2 LYS 25 -10.885 -1.122 -7.595 173 HB3 LYS 25 HB3 LYS 25 -10.864 -0.164 -9.071 174 HG2 LYS 25 HG2 LYS 25 -12.197 -2.823 -9.111 175 HG3 LYS 25 HG3 LYS 25 -13.011 -1.467 -8.330 176 HD2 LYS 25 HD2 LYS 25 -11.858 -1.115 -11.063 177 HD3 LYS 25 HD3 LYS 25 -13.397 -1.960 -10.873 178 HE2 LYS 25 HE2 LYS 25 -13.026 0.645 -9.482 179 HE3 LYS 25 HE3 LYS 25 -13.283 0.657 -11.226 180 HZ1 LYS 25 HZ1 LYS 25 -15.117 -1.063 -9.862 181 HZ2 LYS 25 HZ2 LYS 25 -15.425 0.182 -10.965 182 HZ3 LYS 25 HZ3 LYS 25 -15.227 0.537 -9.323 183 H CYS 26 H CYS 26 -8.459 -1.520 -11.322 184 HA CYS 26 HA CYS 26 -6.259 -0.112 -10.049 185 HB2 CYS 26 HB2 CYS 26 -6.150 -1.844 -12.018 186 HB3 CYS 26 HB3 CYS 26 -6.519 -0.441 -13.016 187 H MET 27 H MET 27 -6.933 1.889 -9.433 188 HA MET 27 HA MET 27 -7.922 3.657 -11.574 189 HB2 MET 27 HB2 MET 27 -9.075 4.954 -9.788 190 HB3 MET 27 HB3 MET 27 -9.703 3.325 -9.991 191 HG2 MET 27 HG2 MET 27 -8.443 2.581 -8.048 192 HG3 MET 27 HG3 MET 27 -7.776 4.201 -7.852 193 HE1 MET 27 HE1 MET 27 -10.103 1.720 -7.073 194 HE2 MET 27 HE2 MET 27 -10.055 2.443 -5.465 195 HE3 MET 27 HE3 MET 27 -11.562 2.433 -6.383 196 H ASN 28 H ASN 28 -6.960 5.630 -11.808 197 HA ASN 28 HA ASN 28 -5.343 7.223 -11.674 198 HB2 ASN 28 HB2 ASN 28 -6.477 7.295 -9.297 199 HB3 ASN 28 HB3 ASN 28 -4.929 6.643 -8.767 200 HD21 ASN 28 HD21 ASN 28 -5.382 8.895 -7.662 201 HD22 ASN 28 HD22 ASN 28 -4.561 10.217 -8.413 202 H GLY 29 H GLY 29 -4.564 4.556 -12.348 203 HA2 GLY 29 HA2 GLY 29 -2.642 3.361 -12.731 204 HA3 GLY 29 HA3 GLY 29 -1.768 4.811 -12.262 205 H LYS 30 H LYS 30 -3.988 3.304 -10.055 206 HA LYS 30 HA LYS 30 -1.723 2.159 -8.562 207 HB2 LYS 30 HB2 LYS 30 -4.077 3.502 -7.241 208 HB3 LYS 30 HB3 LYS 30 -2.567 2.991 -6.499 209 HG2 LYS 30 HG2 LYS 30 -1.561 4.710 -8.248 210 HG3 LYS 30 HG3 LYS 30 -3.176 5.408 -8.098 211 HD2 LYS 30 HD2 LYS 30 -2.140 6.512 -6.392 212 HD3 LYS 30 HD3 LYS 30 -2.668 5.075 -5.515 213 HE2 LYS 30 HE2 LYS 30 -0.462 5.197 -4.880 214 HE3 LYS 30 HE3 LYS 30 -0.353 4.126 -6.275 215 HZ1 LYS 30 HZ1 LYS 30 -0.091 6.536 -7.416 216 HZ2 LYS 30 HZ2 LYS 30 1.209 5.567 -6.935 217 HZ3 LYS 30 HZ3 LYS 30 0.662 6.810 -5.926 218 H CYS 31 H CYS 31 -2.123 0.270 -7.422 219 HA CYS 31 HA CYS 31 -4.634 -1.083 -8.136 220 HB2 CYS 31 HB2 CYS 31 -2.707 -2.254 -8.970 221 HB3 CYS 31 HB3 CYS 31 -1.914 -2.175 -7.399 222 H LYS 32 H LYS 32 -6.100 -1.296 -6.594 223 HA LYS 32 HA LYS 32 -5.199 -1.356 -3.788 224 HB2 LYS 32 HB2 LYS 32 -6.643 0.610 -4.645 225 HB3 LYS 32 HB3 LYS 32 -7.964 -0.551 -4.655 226 HG2 LYS 32 HG2 LYS 32 -6.343 -0.284 -2.179 227 HG3 LYS 32 HG3 LYS 32 -7.497 0.992 -2.577 228 HD2 LYS 32 HD2 LYS 32 -8.413 -1.834 -2.735 229 HD3 LYS 32 HD3 LYS 32 -8.193 -1.118 -1.137 230 HE2 LYS 32 HE2 LYS 32 -9.884 0.040 -3.350 231 HE3 LYS 32 HE3 LYS 32 -10.498 -0.878 -1.977 232 HZ1 LYS 32 HZ1 LYS 32 -10.701 1.119 -1.030 233 HZ2 LYS 32 HZ2 LYS 32 -9.643 1.871 -2.116 234 HZ3 LYS 32 HZ3 LYS 32 -9.030 1.033 -0.780 235 H CYS 33 H CYS 33 -5.056 -3.528 -3.440 236 HA CYS 33 HA CYS 33 -6.845 -5.463 -4.418 237 HB2 CYS 33 HB2 CYS 33 -4.723 -5.382 -2.336 238 HB3 CYS 33 HB3 CYS 33 -5.879 -6.708 -2.253 239 H TYR 34 H TYR 34 -8.812 -6.073 -3.788 240 HA TYR 34 HA TYR 34 -10.072 -4.700 -1.577 241 HB2 TYR 34 HB2 TYR 34 -11.082 -6.628 -3.665 242 HB3 TYR 34 HB3 TYR 34 -12.095 -6.049 -2.347 243 HD1 TYR 34 HD1 TYR 34 -11.979 -5.659 -5.583 244 HD2 TYR 34 HD2 TYR 34 -11.283 -3.225 -2.163 245 HE1 TYR 34 HE1 TYR 34 -12.539 -3.659 -6.901 246 HE2 TYR 34 HE2 TYR 34 -11.842 -1.218 -3.471 247 HH TYR 34 HH TYR 34 -12.121 -0.428 -5.603 248 H GLY 35 H GLY 35 -8.984 -7.950 -2.363 249 HA2 GLY 35 HA2 GLY 35 -8.471 -9.690 -0.930 250 HA3 GLY 35 HA3 GLY 35 -8.930 -8.662 0.419 251 H CYS 36 H CYS 36 -9.674 -11.083 0.844 252 HA CYS 36 HA CYS 36 -12.311 -11.600 -0.276 253 HB2 CYS 36 HB2 CYS 36 -10.775 -13.209 1.773 254 HB3 CYS 36 HB3 CYS 36 -12.189 -13.733 0.865 255 H VAL 37 H VAL 37 -14.122 -10.940 0.660 256 HA VAL 37 HA VAL 37 -14.097 -10.399 3.558 257 HB VAL 37 HB VAL 37 -15.805 -8.608 3.086 258 HG11 VAL 37 HG11 VAL 37 -14.157 -6.925 2.540 259 HG12 VAL 37 HG12 VAL 37 -13.439 -8.133 3.608 260 HG13 VAL 37 HG13 VAL 37 -13.078 -8.155 1.882 261 HG21 VAL 37 HG21 VAL 37 -15.783 -7.645 0.801 262 HG22 VAL 37 HG22 VAL 37 -14.852 -9.042 0.257 263 HG23 VAL 37 HG23 VAL 37 -16.492 -9.259 0.869 Start of MODEL 18 1 H1 GLY 1 H GLY 1 2.356 0.108 0.651 2 HA2 GLY 1 HA2 GLY 1 1.940 1.432 -1.289 3 HA3 GLY 1 HA3 GLY 1 3.318 0.428 -1.718 4 H ASP 2 H ASP 2 0.502 1.527 -2.868 5 HA ASP 2 HA ASP 2 -0.724 -0.776 -3.963 6 HB2 ASP 2 HB2 ASP 2 -0.805 2.098 -4.909 7 HB3 ASP 2 HB3 ASP 2 -1.882 0.817 -5.461 8 H ILE 3 H ILE 3 -0.547 -1.732 -5.967 9 HA ILE 3 HA ILE 3 2.025 -1.463 -7.249 10 HB ILE 3 HB ILE 3 -0.304 -3.255 -7.945 11 HG12 ILE 3 HG12 ILE 3 1.493 -4.943 -6.955 12 HG13 ILE 3 HG13 ILE 3 2.016 -3.505 -6.083 13 HG21 ILE 3 HG21 ILE 3 1.576 -4.565 -9.088 14 HG22 ILE 3 HG22 ILE 3 0.986 -3.109 -9.889 15 HG23 ILE 3 HG23 ILE 3 2.501 -3.068 -8.989 16 HD11 ILE 3 HD11 ILE 3 0.328 -3.666 -4.656 17 HD12 ILE 3 HD12 ILE 3 -0.849 -3.848 -5.957 18 HD13 ILE 3 HD13 ILE 3 0.013 -5.259 -5.345 19 H LYS 4 H LYS 4 2.457 -0.237 -8.954 20 HA LYS 4 HA LYS 4 0.466 1.365 -10.196 21 HB2 LYS 4 HB2 LYS 4 2.749 2.167 -9.966 22 HB3 LYS 4 HB3 LYS 4 3.344 0.842 -10.959 23 HG2 LYS 4 HG2 LYS 4 2.357 1.731 -12.909 24 HG3 LYS 4 HG3 LYS 4 1.397 2.887 -11.984 25 HD2 LYS 4 HD2 LYS 4 3.236 4.055 -12.995 26 HD3 LYS 4 HD3 LYS 4 3.516 3.969 -11.254 27 HE2 LYS 4 HE2 LYS 4 5.580 3.472 -12.329 28 HE3 LYS 4 HE3 LYS 4 4.952 1.960 -11.678 29 HZ1 LYS 4 HZ1 LYS 4 4.214 1.316 -13.840 30 HZ2 LYS 4 HZ2 LYS 4 5.837 1.775 -13.963 31 HZ3 LYS 4 HZ3 LYS 4 4.620 2.820 -14.499 32 H CYS 5 H CYS 5 -0.570 1.159 -12.117 33 HA CYS 5 HA CYS 5 0.208 -0.666 -14.153 34 HB2 CYS 5 HB2 CYS 5 -1.769 -2.173 -13.988 35 HB3 CYS 5 HB3 CYS 5 -0.640 -2.355 -12.648 36 H SER 6 H SER 6 -1.973 -1.054 -15.594 37 HA SER 6 HA SER 6 -3.283 1.577 -15.809 38 HB2 SER 6 HB2 SER 6 -1.418 0.996 -17.539 39 HB3 SER 6 HB3 SER 6 -2.641 -0.058 -18.246 40 HG SER 6 HG SER 6 -3.931 1.701 -18.621 41 H GLY 7 H GLY 7 -3.456 -1.814 -16.899 42 HA2 GLY 7 HA2 GLY 7 -6.354 -1.577 -17.180 43 HA3 GLY 7 HA3 GLY 7 -5.370 -2.944 -17.679 44 H THR 8 H THR 8 -7.437 -3.849 -16.544 45 HA THR 8 HA THR 8 -7.340 -3.887 -13.668 46 HB THR 8 HB THR 8 -8.924 -5.874 -15.251 47 HG1 THR 8 HG1 THR 8 -9.982 -4.326 -16.214 48 HG21 THR 8 HG21 THR 8 -9.881 -6.196 -13.266 49 HG22 THR 8 HG22 THR 8 -10.372 -4.502 -13.219 50 HG23 THR 8 HG23 THR 8 -8.811 -4.987 -12.558 51 H ARG 9 H ARG 9 -6.915 -6.373 -16.192 52 HA ARG 9 HA ARG 9 -6.155 -8.483 -14.586 53 HB2 ARG 9 HB2 ARG 9 -4.955 -9.359 -16.576 54 HB3 ARG 9 HB3 ARG 9 -6.580 -8.795 -16.941 55 HG2 ARG 9 HG2 ARG 9 -5.301 -6.563 -17.521 56 HG3 ARG 9 HG3 ARG 9 -3.955 -7.679 -17.756 57 HD2 ARG 9 HD2 ARG 9 -4.852 -7.692 -19.858 58 HD3 ARG 9 HD3 ARG 9 -5.751 -9.024 -19.133 59 HE ARG 9 HE ARG 9 -7.662 -7.794 -19.356 60 HH11 ARG 9 HH11 ARG 9 -4.919 -5.661 -19.589 61 HH12 ARG 9 HH12 ARG 9 -5.868 -4.276 -20.015 62 HH21 ARG 9 HH21 ARG 9 -8.922 -5.977 -19.917 63 HH22 ARG 9 HH22 ARG 9 -8.145 -4.457 -20.201 64 H GLN 10 H GLN 10 -4.140 -5.896 -15.922 65 HA GLN 10 HA GLN 10 -1.632 -6.802 -15.222 66 HB2 GLN 10 HB2 GLN 10 -2.800 -4.041 -15.391 67 HB3 GLN 10 HB3 GLN 10 -1.127 -4.279 -14.905 68 HG2 GLN 10 HG2 GLN 10 -2.083 -5.587 -17.396 69 HG3 GLN 10 HG3 GLN 10 -1.783 -3.850 -17.410 70 HE21 GLN 10 HE21 GLN 10 -0.064 -4.088 -18.843 71 HE22 GLN 10 HE22 GLN 10 1.463 -4.724 -18.346 72 H CYS 11 H CYS 11 -4.139 -5.490 -13.188 73 HA CYS 11 HA CYS 11 -2.400 -5.164 -10.902 74 HB2 CYS 11 HB2 CYS 11 -4.253 -3.628 -11.139 75 HB3 CYS 11 HB3 CYS 11 -5.401 -4.961 -11.205 76 H TRP 12 H TRP 12 -4.833 -7.454 -12.028 77 HA TRP 12 HA TRP 12 -5.141 -9.001 -9.749 78 HB2 TRP 12 HB2 TRP 12 -5.132 -9.897 -12.638 79 HB3 TRP 12 HB3 TRP 12 -5.749 -10.848 -11.290 80 HD1 TRP 12 HD1 TRP 12 -6.820 -7.559 -10.396 81 HE1 TRP 12 HE1 TRP 12 -9.206 -7.046 -11.213 82 HE3 TRP 12 HE3 TRP 12 -7.335 -11.330 -13.809 83 HZ2 TRP 12 HZ2 TRP 12 -11.062 -8.102 -13.060 84 HZ3 TRP 12 HZ3 TRP 12 -9.448 -11.509 -15.058 85 HH2 TRP 12 HH2 TRP 12 -11.272 -9.928 -14.689 86 H GLY 13 H GLY 13 -2.617 -9.120 -12.218 87 HA2 GLY 13 HA2 GLY 13 -1.339 -11.475 -11.573 88 HA3 GLY 13 HA3 GLY 13 -0.510 -10.037 -12.154 89 HA PRO 14 HA PRO 14 1.448 -9.383 -8.290 90 HB2 PRO 14 HB2 PRO 14 1.061 -6.752 -7.741 91 HB3 PRO 14 HB3 PRO 14 2.137 -7.318 -9.025 92 HG2 PRO 14 HG2 PRO 14 -0.673 -6.303 -9.218 93 HG3 PRO 14 HG3 PRO 14 0.719 -5.949 -10.259 94 HD2 PRO 14 HD2 PRO 14 -1.198 -7.731 -10.949 95 HD3 PRO 14 HD3 PRO 14 0.498 -7.916 -11.440 96 H CYS 15 H CYS 15 -1.894 -8.342 -8.460 97 HA CYS 15 HA CYS 15 -2.314 -7.911 -5.701 98 HB2 CYS 15 HB2 CYS 15 -3.844 -7.092 -7.462 99 HB3 CYS 15 HB3 CYS 15 -4.316 -8.753 -7.807 100 H LYS 16 H LYS 16 -2.452 -10.774 -7.725 101 HA LYS 16 HA LYS 16 -3.723 -12.486 -5.875 102 HB2 LYS 16 HB2 LYS 16 -2.988 -12.718 -8.471 103 HB3 LYS 16 HB3 LYS 16 -1.730 -13.680 -7.705 104 HG2 LYS 16 HG2 LYS 16 -4.640 -14.119 -7.123 105 HG3 LYS 16 HG3 LYS 16 -3.823 -14.893 -8.484 106 HD2 LYS 16 HD2 LYS 16 -2.919 -15.097 -5.613 107 HD3 LYS 16 HD3 LYS 16 -3.923 -16.297 -6.428 108 HE2 LYS 16 HE2 LYS 16 -1.111 -15.480 -7.138 109 HE3 LYS 16 HE3 LYS 16 -1.637 -17.032 -6.489 110 HZ1 LYS 16 HZ1 LYS 16 -1.330 -17.317 -8.798 111 HZ2 LYS 16 HZ2 LYS 16 -2.191 -15.912 -9.176 112 HZ3 LYS 16 HZ3 LYS 16 -3.004 -17.261 -8.559 113 H LYS 17 H LYS 17 -0.322 -11.739 -6.488 114 HA LYS 17 HA LYS 17 0.865 -13.643 -4.849 115 HB2 LYS 17 HB2 LYS 17 1.971 -11.978 -6.450 116 HB3 LYS 17 HB3 LYS 17 1.894 -10.825 -5.125 117 HG2 LYS 17 HG2 LYS 17 4.060 -11.773 -5.098 118 HG3 LYS 17 HG3 LYS 17 3.177 -12.473 -3.738 119 HD2 LYS 17 HD2 LYS 17 2.866 -14.525 -4.874 120 HD3 LYS 17 HD3 LYS 17 3.370 -13.831 -6.417 121 HE2 LYS 17 HE2 LYS 17 5.633 -13.459 -5.400 122 HE3 LYS 17 HE3 LYS 17 5.085 -14.386 -4.003 123 HZ1 LYS 17 HZ1 LYS 17 6.329 -15.730 -5.617 124 HZ2 LYS 17 HZ2 LYS 17 5.152 -15.412 -6.789 125 HZ3 LYS 17 HZ3 LYS 17 4.747 -16.293 -5.403 126 H GLN 18 H GLN 18 -0.092 -10.313 -4.019 127 HA GLN 18 HA GLN 18 0.552 -10.619 -1.257 128 HB2 GLN 18 HB2 GLN 18 -0.833 -8.535 -2.897 129 HB3 GLN 18 HB3 GLN 18 -0.963 -8.475 -1.145 130 HG2 GLN 18 HG2 GLN 18 1.744 -8.776 -2.305 131 HG3 GLN 18 HG3 GLN 18 0.947 -7.214 -2.479 132 HE21 GLN 18 HE21 GLN 18 2.063 -9.607 -0.172 133 HE22 GLN 18 HE22 GLN 18 2.203 -8.526 1.168 134 H THR 19 H THR 19 -2.477 -10.630 -3.103 135 HA THR 19 HA THR 19 -3.736 -12.091 -0.892 136 HB THR 19 HB THR 19 -5.727 -10.791 -0.938 137 HG1 THR 19 HG1 THR 19 -6.092 -10.181 -2.985 138 HG21 THR 19 HG21 THR 19 -4.988 -8.669 -0.144 139 HG22 THR 19 HG22 THR 19 -3.497 -8.768 -1.083 140 HG23 THR 19 HG23 THR 19 -3.746 -9.841 0.295 141 H THR 20 H THR 20 -4.504 -13.946 -1.633 142 HA THR 20 HA THR 20 -4.524 -14.862 -4.192 143 HB THR 20 HB THR 20 -6.096 -16.576 -3.536 144 HG1 THR 20 HG1 THR 20 -7.719 -15.811 -2.388 145 HG21 THR 20 HG21 THR 20 -4.592 -15.958 -1.013 146 HG22 THR 20 HG22 THR 20 -3.742 -16.414 -2.489 147 HG23 THR 20 HG23 THR 20 -4.906 -17.522 -1.763 148 H CYS 21 H CYS 21 -7.002 -12.920 -2.632 149 HA CYS 21 HA CYS 21 -8.949 -13.190 -4.690 150 HB2 CYS 21 HB2 CYS 21 -8.574 -11.314 -2.377 151 HB3 CYS 21 HB3 CYS 21 -9.824 -11.003 -3.576 152 H THR 22 H THR 22 -8.176 -12.710 -6.695 153 HA THR 22 HA THR 22 -6.504 -10.509 -7.298 154 HB THR 22 HB THR 22 -7.459 -10.940 -9.696 155 HG1 THR 22 HG1 THR 22 -9.025 -12.358 -9.679 156 HG21 THR 22 HG21 THR 22 -5.633 -12.578 -8.028 157 HG22 THR 22 HG22 THR 22 -5.311 -11.675 -9.508 158 HG23 THR 22 HG23 THR 22 -6.111 -13.244 -9.589 159 H ASN 23 H ASN 23 -9.911 -10.814 -6.858 160 HA ASN 23 HA ASN 23 -10.994 -8.828 -8.399 161 HB2 ASN 23 HB2 ASN 23 -12.071 -10.399 -6.603 162 HB3 ASN 23 HB3 ASN 23 -11.809 -9.035 -5.520 163 HD21 ASN 23 HD21 ASN 23 -13.384 -7.618 -5.388 164 HD22 ASN 23 HD22 ASN 23 -14.623 -7.360 -6.565 165 H SER 24 H SER 24 -10.051 -6.909 -8.747 166 HA SER 24 HA SER 24 -9.835 -5.060 -6.525 167 HB2 SER 24 HB2 SER 24 -7.610 -6.165 -6.600 168 HB3 SER 24 HB3 SER 24 -7.427 -5.628 -8.270 169 HG SER 24 HG SER 24 -7.059 -3.643 -7.609 170 H LYS 25 H LYS 25 -8.995 -2.857 -7.438 171 HA LYS 25 HA LYS 25 -10.016 -2.445 -10.161 172 HB2 LYS 25 HB2 LYS 25 -10.991 -1.229 -7.634 173 HB3 LYS 25 HB3 LYS 25 -10.852 -0.162 -9.024 174 HG2 LYS 25 HG2 LYS 25 -12.129 -2.281 -10.128 175 HG3 LYS 25 HG3 LYS 25 -12.762 -2.319 -8.481 176 HD2 LYS 25 HD2 LYS 25 -12.669 0.264 -9.985 177 HD3 LYS 25 HD3 LYS 25 -13.965 -0.892 -10.300 178 HE2 LYS 25 HE2 LYS 25 -14.947 0.317 -8.637 179 HE3 LYS 25 HE3 LYS 25 -14.110 -0.884 -7.655 180 HZ1 LYS 25 HZ1 LYS 25 -12.816 1.677 -8.341 181 HZ2 LYS 25 HZ2 LYS 25 -12.472 0.626 -7.062 182 HZ3 LYS 25 HZ3 LYS 25 -13.877 1.569 -7.029 183 H CYS 26 H CYS 26 -8.479 -1.538 -11.344 184 HA CYS 26 HA CYS 26 -6.290 -0.120 -10.068 185 HB2 CYS 26 HB2 CYS 26 -6.186 -1.840 -12.055 186 HB3 CYS 26 HB3 CYS 26 -6.548 -0.422 -13.035 187 H MET 27 H MET 27 -6.882 1.894 -9.464 188 HA MET 27 HA MET 27 -7.906 3.667 -11.584 189 HB2 MET 27 HB2 MET 27 -9.201 4.882 -9.951 190 HB3 MET 27 HB3 MET 27 -9.623 3.178 -9.854 191 HG2 MET 27 HG2 MET 27 -8.209 2.925 -7.892 192 HG3 MET 27 HG3 MET 27 -7.744 4.621 -7.999 193 HE1 MET 27 HE1 MET 27 -9.039 3.307 -5.264 194 HE2 MET 27 HE2 MET 27 -10.795 3.153 -5.312 195 HE3 MET 27 HE3 MET 27 -9.792 2.142 -6.353 196 H ASN 28 H ASN 28 -6.943 5.639 -11.803 197 HA ASN 28 HA ASN 28 -5.324 7.230 -11.657 198 HB2 ASN 28 HB2 ASN 28 -5.168 6.531 -8.721 199 HB3 ASN 28 HB3 ASN 28 -4.751 8.063 -9.484 200 HD21 ASN 28 HD21 ASN 28 -6.929 6.733 -7.566 201 HD22 ASN 28 HD22 ASN 28 -8.347 7.618 -8.008 202 H GLY 29 H GLY 29 -4.542 4.567 -12.339 203 HA2 GLY 29 HA2 GLY 29 -2.620 3.369 -12.711 204 HA3 GLY 29 HA3 GLY 29 -1.747 4.819 -12.239 205 H LYS 30 H LYS 30 -3.974 3.313 -10.038 206 HA LYS 30 HA LYS 30 -1.715 2.171 -8.537 207 HB2 LYS 30 HB2 LYS 30 -4.078 3.518 -7.235 208 HB3 LYS 30 HB3 LYS 30 -2.581 2.994 -6.474 209 HG2 LYS 30 HG2 LYS 30 -1.550 4.712 -8.217 210 HG3 LYS 30 HG3 LYS 30 -3.159 5.424 -8.064 211 HD2 LYS 30 HD2 LYS 30 -1.538 4.688 -5.646 212 HD3 LYS 30 HD3 LYS 30 -1.311 6.233 -6.468 213 HE2 LYS 30 HE2 LYS 30 -3.662 6.772 -6.132 214 HE3 LYS 30 HE3 LYS 30 -3.925 5.208 -5.362 215 HZ1 LYS 30 HZ1 LYS 30 -1.975 6.110 -3.845 216 HZ2 LYS 30 HZ2 LYS 30 -3.597 6.464 -3.526 217 HZ3 LYS 30 HZ3 LYS 30 -2.624 7.601 -4.316 218 H CYS 31 H CYS 31 -2.108 0.274 -7.416 219 HA CYS 31 HA CYS 31 -4.618 -1.079 -8.130 220 HB2 CYS 31 HB2 CYS 31 -2.691 -2.241 -8.977 221 HB3 CYS 31 HB3 CYS 31 -1.896 -2.171 -7.408 222 H LYS 32 H LYS 32 -6.083 -1.210 -6.578 223 HA LYS 32 HA LYS 32 -5.169 -1.334 -3.779 224 HB2 LYS 32 HB2 LYS 32 -6.578 0.666 -4.609 225 HB3 LYS 32 HB3 LYS 32 -7.922 -0.469 -4.628 226 HG2 LYS 32 HG2 LYS 32 -6.239 -0.032 -2.182 227 HG3 LYS 32 HG3 LYS 32 -7.643 0.971 -2.556 228 HD2 LYS 32 HD2 LYS 32 -8.838 -1.350 -2.821 229 HD3 LYS 32 HD3 LYS 32 -7.509 -1.916 -1.806 230 HE2 LYS 32 HE2 LYS 32 -8.208 0.222 -0.387 231 HE3 LYS 32 HE3 LYS 32 -9.760 -0.093 -1.161 232 HZ1 LYS 32 HZ1 LYS 32 -9.836 -1.314 0.797 233 HZ2 LYS 32 HZ2 LYS 32 -8.231 -1.831 0.672 234 HZ3 LYS 32 HZ3 LYS 32 -9.409 -2.474 -0.357 235 H CYS 33 H CYS 33 -5.067 -3.511 -3.449 236 HA CYS 33 HA CYS 33 -6.887 -5.409 -4.438 237 HB2 CYS 33 HB2 CYS 33 -4.776 -5.374 -2.344 238 HB3 CYS 33 HB3 CYS 33 -5.954 -6.680 -2.275 239 H TYR 34 H TYR 34 -8.799 -6.163 -3.722 240 HA TYR 34 HA TYR 34 -10.086 -4.714 -1.558 241 HB2 TYR 34 HB2 TYR 34 -11.086 -6.654 -3.638 242 HB3 TYR 34 HB3 TYR 34 -12.103 -6.090 -2.317 243 HD1 TYR 34 HD1 TYR 34 -11.988 -5.687 -5.554 244 HD2 TYR 34 HD2 TYR 34 -11.329 -3.258 -2.123 245 HE1 TYR 34 HE1 TYR 34 -12.570 -3.690 -6.865 246 HE2 TYR 34 HE2 TYR 34 -11.911 -1.253 -3.424 247 HH TYR 34 HH TYR 34 -12.416 -0.445 -5.434 248 H GLY 35 H GLY 35 -8.987 -7.967 -2.314 249 HA2 GLY 35 HA2 GLY 35 -8.461 -9.687 -0.858 250 HA3 GLY 35 HA3 GLY 35 -8.946 -8.654 0.478 251 H CYS 36 H CYS 36 -9.657 -11.100 0.887 252 HA CYS 36 HA CYS 36 -12.288 -11.635 -0.243 253 HB2 CYS 36 HB2 CYS 36 -10.724 -13.238 1.791 254 HB3 CYS 36 HB3 CYS 36 -12.148 -13.772 0.904 255 H VAL 37 H VAL 37 -14.064 -10.865 0.666 256 HA VAL 37 HA VAL 37 -13.997 -10.115 3.509 257 HB VAL 37 HB VAL 37 -16.034 -8.770 2.986 258 HG11 VAL 37 HG11 VAL 37 -14.852 -6.950 2.040 259 HG12 VAL 37 HG12 VAL 37 -13.668 -7.884 2.956 260 HG13 VAL 37 HG13 VAL 37 -13.732 -8.021 1.199 261 HG21 VAL 37 HG21 VAL 37 -16.635 -10.154 0.966 262 HG22 VAL 37 HG22 VAL 37 -16.744 -8.407 0.751 263 HG23 VAL 37 HG23 VAL 37 -15.366 -9.292 0.096 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.086 -0.821 0.277 2 HA2 GLY 1 HA2 GLY 1 1.528 0.669 -0.517 3 HA3 GLY 1 HA3 GLY 1 2.766 1.103 -1.687 4 H ASP 2 H ASP 2 0.769 1.519 -2.982 5 HA ASP 2 HA ASP 2 -0.665 -0.788 -3.955 6 HB2 ASP 2 HB2 ASP 2 -0.714 2.119 -4.787 7 HB3 ASP 2 HB3 ASP 2 -1.759 0.878 -5.474 8 H ILE 3 H ILE 3 -0.501 -1.740 -5.956 9 HA ILE 3 HA ILE 3 2.056 -1.469 -7.269 10 HB ILE 3 HB ILE 3 -0.279 -3.262 -7.945 11 HG12 ILE 3 HG12 ILE 3 1.524 -4.950 -6.967 12 HG13 ILE 3 HG13 ILE 3 2.052 -3.513 -6.097 13 HG21 ILE 3 HG21 ILE 3 1.008 -3.099 -9.895 14 HG22 ILE 3 HG22 ILE 3 2.525 -3.086 -8.998 15 HG23 ILE 3 HG23 ILE 3 1.580 -4.570 -9.109 16 HD11 ILE 3 HD11 ILE 3 0.184 -3.440 -4.809 17 HD12 ILE 3 HD12 ILE 3 -0.836 -4.175 -6.047 18 HD13 ILE 3 HD13 ILE 3 0.266 -5.176 -5.103 19 H LYS 4 H LYS 4 2.462 -0.231 -8.971 20 HA LYS 4 HA LYS 4 0.438 1.352 -10.193 21 HB2 LYS 4 HB2 LYS 4 2.729 2.168 -9.944 22 HB3 LYS 4 HB3 LYS 4 3.316 0.888 -10.998 23 HG2 LYS 4 HG2 LYS 4 1.862 1.859 -12.806 24 HG3 LYS 4 HG3 LYS 4 1.593 3.236 -11.735 25 HD2 LYS 4 HD2 LYS 4 4.377 2.330 -12.362 26 HD3 LYS 4 HD3 LYS 4 3.492 3.345 -13.505 27 HE2 LYS 4 HE2 LYS 4 3.323 5.113 -11.965 28 HE3 LYS 4 HE3 LYS 4 3.761 4.080 -10.605 29 HZ1 LYS 4 HZ1 LYS 4 5.836 4.757 -10.889 30 HZ2 LYS 4 HZ2 LYS 4 5.445 5.587 -12.311 31 HZ3 LYS 4 HZ3 LYS 4 5.875 3.952 -12.377 32 H CYS 5 H CYS 5 -0.584 1.145 -12.124 33 HA CYS 5 HA CYS 5 0.228 -0.679 -14.154 34 HB2 CYS 5 HB2 CYS 5 -1.763 -2.173 -14.011 35 HB3 CYS 5 HB3 CYS 5 -0.649 -2.362 -12.661 36 H SER 6 H SER 6 -1.957 -1.070 -15.608 37 HA SER 6 HA SER 6 -3.236 1.571 -15.861 38 HB2 SER 6 HB2 SER 6 -2.338 -0.166 -18.171 39 HB3 SER 6 HB3 SER 6 -3.051 1.443 -18.275 40 HG SER 6 HG SER 6 -0.631 1.174 -18.372 41 H GLY 7 H GLY 7 -3.435 -1.833 -16.897 42 HA2 GLY 7 HA2 GLY 7 -6.332 -1.564 -17.195 43 HA3 GLY 7 HA3 GLY 7 -5.360 -2.939 -17.699 44 H THR 8 H THR 8 -7.427 -3.837 -16.565 45 HA THR 8 HA THR 8 -7.336 -3.876 -13.689 46 HB THR 8 HB THR 8 -8.919 -5.868 -15.261 47 HG1 THR 8 HG1 THR 8 -9.689 -3.145 -14.926 48 HG21 THR 8 HG21 THR 8 -8.822 -4.936 -12.581 49 HG22 THR 8 HG22 THR 8 -9.891 -6.154 -13.277 50 HG23 THR 8 HG23 THR 8 -10.377 -4.458 -13.262 51 H ARG 9 H ARG 9 -6.912 -6.365 -16.211 52 HA ARG 9 HA ARG 9 -6.159 -8.475 -14.602 53 HB2 ARG 9 HB2 ARG 9 -6.586 -8.772 -16.967 54 HB3 ARG 9 HB3 ARG 9 -5.198 -7.773 -17.380 55 HG2 ARG 9 HG2 ARG 9 -3.712 -9.446 -16.367 56 HG3 ARG 9 HG3 ARG 9 -5.116 -10.454 -16.013 57 HD2 ARG 9 HD2 ARG 9 -5.585 -10.742 -18.336 58 HD3 ARG 9 HD3 ARG 9 -4.382 -9.533 -18.784 59 HE ARG 9 HE ARG 9 -2.949 -11.417 -17.447 60 HH11 ARG 9 HH11 ARG 9 -5.127 -11.488 -20.163 61 HH12 ARG 9 HH12 ARG 9 -4.347 -12.838 -20.920 62 HH21 ARG 9 HH21 ARG 9 -1.914 -13.194 -18.434 63 HH22 ARG 9 HH22 ARG 9 -2.520 -13.808 -19.936 64 H GLN 10 H GLN 10 -4.137 -5.894 -15.936 65 HA GLN 10 HA GLN 10 -1.631 -6.806 -15.233 66 HB2 GLN 10 HB2 GLN 10 -2.827 -4.085 -15.522 67 HB3 GLN 10 HB3 GLN 10 -1.210 -4.226 -14.845 68 HG2 GLN 10 HG2 GLN 10 -1.318 -3.818 -17.311 69 HG3 GLN 10 HG3 GLN 10 -0.368 -5.217 -16.814 70 HE21 GLN 10 HE21 GLN 10 -3.552 -4.253 -17.990 71 HE22 GLN 10 HE22 GLN 10 -3.878 -5.718 -18.847 72 H CYS 11 H CYS 11 -4.138 -5.485 -13.204 73 HA CYS 11 HA CYS 11 -2.401 -5.163 -10.915 74 HB2 CYS 11 HB2 CYS 11 -4.252 -3.624 -11.158 75 HB3 CYS 11 HB3 CYS 11 -5.402 -4.956 -11.220 76 H TRP 12 H TRP 12 -4.838 -7.449 -12.044 77 HA TRP 12 HA TRP 12 -5.153 -8.993 -9.764 78 HB2 TRP 12 HB2 TRP 12 -5.141 -9.890 -12.654 79 HB3 TRP 12 HB3 TRP 12 -5.759 -10.841 -11.307 80 HD1 TRP 12 HD1 TRP 12 -6.827 -7.547 -10.417 81 HE1 TRP 12 HE1 TRP 12 -9.213 -7.035 -11.233 82 HE3 TRP 12 HE3 TRP 12 -7.347 -11.326 -13.820 83 HZ2 TRP 12 HZ2 TRP 12 -11.071 -8.094 -13.076 84 HZ3 TRP 12 HZ3 TRP 12 -9.460 -11.508 -15.067 85 HH2 TRP 12 HH2 TRP 12 -11.282 -9.924 -14.701 86 H GLY 13 H GLY 13 -2.626 -9.122 -12.230 87 HA2 GLY 13 HA2 GLY 13 -1.354 -11.477 -11.579 88 HA3 GLY 13 HA3 GLY 13 -0.520 -10.042 -12.161 89 HA PRO 14 HA PRO 14 1.432 -9.386 -8.295 90 HB2 PRO 14 HB2 PRO 14 1.050 -6.754 -7.750 91 HB3 PRO 14 HB3 PRO 14 2.127 -7.323 -9.030 92 HG2 PRO 14 HG2 PRO 14 -0.680 -6.304 -9.230 93 HG3 PRO 14 HG3 PRO 14 0.714 -5.953 -10.268 94 HD2 PRO 14 HD2 PRO 14 -1.205 -7.733 -10.959 95 HD3 PRO 14 HD3 PRO 14 0.491 -7.921 -11.447 96 H CYS 15 H CYS 15 -1.908 -8.346 -8.473 97 HA CYS 15 HA CYS 15 -2.336 -7.901 -5.718 98 HB2 CYS 15 HB2 CYS 15 -3.868 -7.101 -7.482 99 HB3 CYS 15 HB3 CYS 15 -4.327 -8.766 -7.827 100 H LYS 16 H LYS 16 -2.457 -10.781 -7.722 101 HA LYS 16 HA LYS 16 -3.722 -12.485 -5.861 102 HB2 LYS 16 HB2 LYS 16 -2.986 -12.733 -8.454 103 HB3 LYS 16 HB3 LYS 16 -1.722 -13.680 -7.682 104 HG2 LYS 16 HG2 LYS 16 -4.627 -14.135 -7.093 105 HG3 LYS 16 HG3 LYS 16 -3.808 -14.912 -8.450 106 HD2 LYS 16 HD2 LYS 16 -2.902 -15.094 -5.578 107 HD3 LYS 16 HD3 LYS 16 -3.892 -16.308 -6.391 108 HE2 LYS 16 HE2 LYS 16 -1.996 -17.269 -7.051 109 HE3 LYS 16 HE3 LYS 16 -1.752 -15.883 -8.112 110 HZ1 LYS 16 HZ1 LYS 16 -0.944 -15.377 -5.408 111 HZ2 LYS 16 HZ2 LYS 16 -0.095 -15.135 -6.850 112 HZ3 LYS 16 HZ3 LYS 16 -0.089 -16.657 -6.110 113 H LYS 17 H LYS 17 -0.325 -11.726 -6.476 114 HA LYS 17 HA LYS 17 0.871 -13.613 -4.822 115 HB2 LYS 17 HB2 LYS 17 1.983 -11.974 -6.430 116 HB3 LYS 17 HB3 LYS 17 1.875 -10.787 -5.136 117 HG2 LYS 17 HG2 LYS 17 4.056 -11.720 -5.079 118 HG3 LYS 17 HG3 LYS 17 3.171 -12.359 -3.692 119 HD2 LYS 17 HD2 LYS 17 2.761 -14.436 -4.882 120 HD3 LYS 17 HD3 LYS 17 3.563 -13.796 -6.317 121 HE2 LYS 17 HE2 LYS 17 4.860 -14.238 -3.630 122 HE3 LYS 17 HE3 LYS 17 5.023 -15.295 -5.032 123 HZ1 LYS 17 HZ1 LYS 17 6.917 -13.872 -4.920 124 HZ2 LYS 17 HZ2 LYS 17 5.954 -12.486 -4.801 125 HZ3 LYS 17 HZ3 LYS 17 5.981 -13.378 -6.239 126 H GLN 18 H GLN 18 -0.103 -10.281 -4.016 127 HA GLN 18 HA GLN 18 0.538 -10.566 -1.250 128 HB2 GLN 18 HB2 GLN 18 -0.864 -8.501 -2.902 129 HB3 GLN 18 HB3 GLN 18 -0.977 -8.428 -1.148 130 HG2 GLN 18 HG2 GLN 18 1.536 -8.475 -1.094 131 HG3 GLN 18 HG3 GLN 18 1.496 -8.256 -2.843 132 HE21 GLN 18 HE21 GLN 18 0.713 -6.811 0.241 133 HE22 GLN 18 HE22 GLN 18 0.625 -5.181 -0.326 134 H THR 19 H THR 19 -2.489 -10.604 -3.101 135 HA THR 19 HA THR 19 -3.743 -12.055 -0.881 136 HB THR 19 HB THR 19 -5.743 -10.766 -0.943 137 HG1 THR 19 HG1 THR 19 -4.577 -9.570 -3.238 138 HG21 THR 19 HG21 THR 19 -5.005 -8.605 -0.198 139 HG22 THR 19 HG22 THR 19 -3.483 -8.770 -1.073 140 HG23 THR 19 HG23 THR 19 -3.815 -9.797 0.320 141 H THR 20 H THR 20 -4.501 -13.920 -1.610 142 HA THR 20 HA THR 20 -4.513 -14.855 -4.163 143 HB THR 20 HB THR 20 -6.392 -16.416 -3.434 144 HG1 THR 20 HG1 THR 20 -7.481 -15.682 -1.773 145 HG21 THR 20 HG21 THR 20 -4.810 -17.751 -2.557 146 HG22 THR 20 HG22 THR 20 -4.437 -16.612 -1.263 147 HG23 THR 20 HG23 THR 20 -3.712 -16.405 -2.858 148 H CYS 21 H CYS 21 -7.002 -12.912 -2.621 149 HA CYS 21 HA CYS 21 -8.943 -13.205 -4.682 150 HB2 CYS 21 HB2 CYS 21 -8.585 -11.334 -2.365 151 HB3 CYS 21 HB3 CYS 21 -9.818 -11.002 -3.577 152 H THR 22 H THR 22 -8.190 -12.725 -6.690 153 HA THR 22 HA THR 22 -6.516 -10.530 -7.305 154 HB THR 22 HB THR 22 -7.560 -10.977 -9.697 155 HG1 THR 22 HG1 THR 22 -8.553 -12.927 -9.869 156 HG21 THR 22 HG21 THR 22 -5.921 -13.188 -8.493 157 HG22 THR 22 HG22 THR 22 -5.253 -11.571 -8.717 158 HG23 THR 22 HG23 THR 22 -5.823 -12.491 -10.110 159 H ASN 23 H ASN 23 -9.922 -10.826 -6.848 160 HA ASN 23 HA ASN 23 -11.009 -8.840 -8.387 161 HB2 ASN 23 HB2 ASN 23 -12.074 -10.407 -6.574 162 HB3 ASN 23 HB3 ASN 23 -11.810 -9.032 -5.504 163 HD21 ASN 23 HD21 ASN 23 -13.201 -7.380 -5.550 164 HD22 ASN 23 HD22 ASN 23 -14.517 -7.228 -6.659 165 H SER 24 H SER 24 -10.066 -6.925 -8.744 166 HA SER 24 HA SER 24 -9.828 -5.074 -6.525 167 HB2 SER 24 HB2 SER 24 -7.603 -6.192 -6.643 168 HB3 SER 24 HB3 SER 24 -7.440 -5.622 -8.304 169 HG SER 24 HG SER 24 -7.924 -3.859 -6.148 170 H LYS 25 H LYS 25 -8.965 -2.876 -7.467 171 HA LYS 25 HA LYS 25 -10.014 -2.462 -10.176 172 HB2 LYS 25 HB2 LYS 25 -10.972 -1.220 -7.645 173 HB3 LYS 25 HB3 LYS 25 -10.891 -0.199 -9.073 174 HG2 LYS 25 HG2 LYS 25 -12.249 -1.979 -10.255 175 HG3 LYS 25 HG3 LYS 25 -12.520 -2.686 -8.661 176 HD2 LYS 25 HD2 LYS 25 -14.366 -1.333 -8.848 177 HD3 LYS 25 HD3 LYS 25 -13.239 -0.237 -8.046 178 HE2 LYS 25 HE2 LYS 25 -12.634 0.692 -10.257 179 HE3 LYS 25 HE3 LYS 25 -13.846 -0.350 -10.999 180 HZ1 LYS 25 HZ1 LYS 25 -15.245 1.328 -10.667 181 HZ2 LYS 25 HZ2 LYS 25 -14.182 2.140 -9.631 182 HZ3 LYS 25 HZ3 LYS 25 -15.203 0.939 -9.021 183 H CYS 26 H CYS 26 -8.485 -1.541 -11.356 184 HA CYS 26 HA CYS 26 -6.295 -0.128 -10.087 185 HB2 CYS 26 HB2 CYS 26 -6.202 -1.808 -12.101 186 HB3 CYS 26 HB3 CYS 26 -6.599 -0.383 -13.057 187 H MET 27 H MET 27 -6.852 1.880 -9.448 188 HA MET 27 HA MET 27 -7.932 3.684 -11.511 189 HB2 MET 27 HB2 MET 27 -9.089 4.926 -9.725 190 HB3 MET 27 HB3 MET 27 -9.656 3.265 -9.847 191 HG2 MET 27 HG2 MET 27 -9.428 3.321 -7.617 192 HG3 MET 27 HG3 MET 27 -7.751 2.944 -7.997 193 HE1 MET 27 HE1 MET 27 -9.461 6.784 -6.255 194 HE2 MET 27 HE2 MET 27 -10.338 5.672 -7.308 195 HE3 MET 27 HE3 MET 27 -9.804 5.140 -5.713 196 H ASN 28 H ASN 28 -6.975 5.663 -11.723 197 HA ASN 28 HA ASN 28 -5.339 7.238 -11.606 198 HB2 ASN 28 HB2 ASN 28 -5.725 6.509 -8.722 199 HB3 ASN 28 HB3 ASN 28 -4.454 7.637 -9.181 200 HD21 ASN 28 HD21 ASN 28 -5.003 9.643 -10.018 201 HD22 ASN 28 HD22 ASN 28 -6.597 10.295 -9.872 202 H GLY 29 H GLY 29 -4.572 4.576 -12.302 203 HA2 GLY 29 HA2 GLY 29 -2.658 3.374 -12.702 204 HA3 GLY 29 HA3 GLY 29 -1.775 4.820 -12.231 205 H LYS 30 H LYS 30 -3.985 3.310 -10.016 206 HA LYS 30 HA LYS 30 -1.712 2.159 -8.539 207 HB2 LYS 30 HB2 LYS 30 -4.068 3.487 -7.206 208 HB3 LYS 30 HB3 LYS 30 -2.555 2.975 -6.468 209 HG2 LYS 30 HG2 LYS 30 -1.559 4.708 -8.210 210 HG3 LYS 30 HG3 LYS 30 -3.174 5.401 -8.049 211 HD2 LYS 30 HD2 LYS 30 -2.073 6.499 -6.359 212 HD3 LYS 30 HD3 LYS 30 -2.697 5.100 -5.482 213 HE2 LYS 30 HE2 LYS 30 -0.414 5.379 -4.859 214 HE3 LYS 30 HE3 LYS 30 -0.508 3.965 -5.908 215 HZ1 LYS 30 HZ1 LYS 30 0.830 4.918 -7.384 216 HZ2 LYS 30 HZ2 LYS 30 1.167 6.098 -6.221 217 HZ3 LYS 30 HZ3 LYS 30 -0.037 6.369 -7.377 218 H CYS 31 H CYS 31 -2.098 0.258 -7.419 219 HA CYS 31 HA CYS 31 -4.609 -1.097 -8.127 220 HB2 CYS 31 HB2 CYS 31 -2.681 -2.250 -8.986 221 HB3 CYS 31 HB3 CYS 31 -1.881 -2.188 -7.418 222 H LYS 32 H LYS 32 -6.067 -1.214 -6.566 223 HA LYS 32 HA LYS 32 -5.139 -1.361 -3.773 224 HB2 LYS 32 HB2 LYS 32 -6.409 0.680 -4.277 225 HB3 LYS 32 HB3 LYS 32 -7.755 -0.294 -4.852 226 HG2 LYS 32 HG2 LYS 32 -8.473 0.174 -2.745 227 HG3 LYS 32 HG3 LYS 32 -7.606 -1.333 -2.441 228 HD2 LYS 32 HD2 LYS 32 -5.597 0.040 -1.856 229 HD3 LYS 32 HD3 LYS 32 -6.615 1.477 -1.975 230 HE2 LYS 32 HE2 LYS 32 -8.114 0.460 -0.256 231 HE3 LYS 32 HE3 LYS 32 -6.932 -0.834 -0.066 232 HZ1 LYS 32 HZ1 LYS 32 -5.290 1.031 0.399 233 HZ2 LYS 32 HZ2 LYS 32 -6.423 0.683 1.606 234 HZ3 LYS 32 HZ3 LYS 32 -6.641 2.028 0.604 235 H CYS 33 H CYS 33 -5.047 -3.540 -3.455 236 HA CYS 33 HA CYS 33 -6.882 -5.423 -4.445 237 HB2 CYS 33 HB2 CYS 33 -4.763 -5.409 -2.360 238 HB3 CYS 33 HB3 CYS 33 -5.948 -6.708 -2.289 239 H TYR 34 H TYR 34 -8.805 -6.146 -3.740 240 HA TYR 34 HA TYR 34 -10.070 -4.710 -1.558 241 HB2 TYR 34 HB2 TYR 34 -11.096 -6.632 -3.642 242 HB3 TYR 34 HB3 TYR 34 -12.103 -6.052 -2.320 243 HD1 TYR 34 HD1 TYR 34 -11.993 -5.657 -5.557 244 HD2 TYR 34 HD2 TYR 34 -11.282 -3.232 -2.134 245 HE1 TYR 34 HE1 TYR 34 -12.549 -3.651 -6.868 246 HE2 TYR 34 HE2 TYR 34 -11.839 -1.220 -3.435 247 HH TYR 34 HH TYR 34 -12.256 -0.409 -5.482 248 H GLY 35 H GLY 35 -9.008 -7.968 -2.342 249 HA2 GLY 35 HA2 GLY 35 -8.489 -9.701 -0.897 250 HA3 GLY 35 HA3 GLY 35 -8.965 -8.675 0.446 251 H CYS 36 H CYS 36 -9.703 -11.099 0.864 252 HA CYS 36 HA CYS 36 -12.328 -11.625 -0.281 253 HB2 CYS 36 HB2 CYS 36 -10.791 -13.228 1.773 254 HB3 CYS 36 HB3 CYS 36 -12.210 -13.757 0.873 255 H VAL 37 H VAL 37 -14.070 -10.743 0.596 256 HA VAL 37 HA VAL 37 -14.015 -9.771 3.331 257 HB VAL 37 HB VAL 37 -16.242 -8.836 2.827 258 HG11 VAL 37 HG11 VAL 37 -14.615 -7.282 2.364 259 HG12 VAL 37 HG12 VAL 37 -13.886 -8.263 1.090 260 HG13 VAL 37 HG13 VAL 37 -15.403 -7.415 0.792 261 HG21 VAL 37 HG21 VAL 37 -17.477 -9.401 1.042 262 HG22 VAL 37 HG22 VAL 37 -16.089 -9.389 -0.045 263 HG23 VAL 37 HG23 VAL 37 -16.418 -10.808 0.948 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.876 -1.118 -1.699 2 HA2 GLY 1 HA2 GLY 1 1.858 0.796 -0.856 3 HA3 GLY 1 HA3 GLY 1 3.043 1.408 -2.001 4 H ASP 2 H ASP 2 0.659 1.608 -2.953 5 HA ASP 2 HA ASP 2 -0.557 -0.638 -4.107 6 HB2 ASP 2 HB2 ASP 2 -0.618 2.301 -4.698 7 HB3 ASP 2 HB3 ASP 2 -1.406 1.172 -5.797 8 H ILE 3 H ILE 3 -0.332 -1.673 -6.042 9 HA ILE 3 HA ILE 3 2.224 -1.396 -7.356 10 HB ILE 3 HB ILE 3 -0.075 -3.261 -7.961 11 HG12 ILE 3 HG12 ILE 3 1.766 -4.877 -6.940 12 HG13 ILE 3 HG13 ILE 3 2.282 -3.400 -6.132 13 HG21 ILE 3 HG21 ILE 3 1.781 -4.570 -9.108 14 HG22 ILE 3 HG22 ILE 3 1.204 -3.119 -9.926 15 HG23 ILE 3 HG23 ILE 3 2.724 -3.082 -9.035 16 HD11 ILE 3 HD11 ILE 3 0.299 -3.219 -4.941 17 HD12 ILE 3 HD12 ILE 3 -0.567 -4.302 -6.031 18 HD13 ILE 3 HD13 ILE 3 0.644 -4.948 -4.924 19 H LYS 4 H LYS 4 2.630 -0.336 -9.185 20 HA LYS 4 HA LYS 4 0.639 1.269 -10.422 21 HB2 LYS 4 HB2 LYS 4 3.004 1.935 -10.314 22 HB3 LYS 4 HB3 LYS 4 3.433 0.590 -11.363 23 HG2 LYS 4 HG2 LYS 4 1.413 2.541 -12.334 24 HG3 LYS 4 HG3 LYS 4 3.110 3.027 -12.302 25 HD2 LYS 4 HD2 LYS 4 3.440 0.678 -13.464 26 HD3 LYS 4 HD3 LYS 4 1.756 0.932 -13.929 27 HE2 LYS 4 HE2 LYS 4 3.933 2.962 -14.389 28 HE3 LYS 4 HE3 LYS 4 3.477 1.744 -15.579 29 HZ1 LYS 4 HZ1 LYS 4 1.104 2.751 -15.087 30 HZ2 LYS 4 HZ2 LYS 4 2.138 3.430 -16.240 31 HZ3 LYS 4 HZ3 LYS 4 2.022 4.118 -14.699 32 H CYS 5 H CYS 5 -0.485 1.003 -12.288 33 HA CYS 5 HA CYS 5 0.130 -1.034 -14.200 34 HB2 CYS 5 HB2 CYS 5 -2.009 -2.292 -13.907 35 HB3 CYS 5 HB3 CYS 5 -0.878 -2.498 -12.573 36 H SER 6 H SER 6 -1.826 -1.243 -15.790 37 HA SER 6 HA SER 6 -2.924 1.463 -16.186 38 HB2 SER 6 HB2 SER 6 -1.268 0.936 -17.890 39 HB3 SER 6 HB3 SER 6 -2.090 -0.580 -18.259 40 HG SER 6 HG SER 6 -3.842 0.601 -19.028 41 H GLY 7 H GLY 7 -3.521 -1.996 -16.729 42 HA2 GLY 7 HA2 GLY 7 -6.399 -1.388 -16.952 43 HA3 GLY 7 HA3 GLY 7 -5.623 -2.824 -17.604 44 H THR 8 H THR 8 -7.520 -3.772 -16.401 45 HA THR 8 HA THR 8 -7.345 -3.859 -13.530 46 HB THR 8 HB THR 8 -8.953 -5.870 -15.033 47 HG1 THR 8 HG1 THR 8 -10.459 -4.348 -15.623 48 HG21 THR 8 HG21 THR 8 -8.812 -4.879 -12.395 49 HG22 THR 8 HG22 THR 8 -9.950 -6.056 -13.050 50 HG23 THR 8 HG23 THR 8 -10.356 -4.340 -13.058 51 H ARG 9 H ARG 9 -6.923 -6.269 -16.125 52 HA ARG 9 HA ARG 9 -6.138 -8.422 -14.591 53 HB2 ARG 9 HB2 ARG 9 -4.900 -9.193 -16.625 54 HB3 ARG 9 HB3 ARG 9 -6.561 -8.707 -16.933 55 HG2 ARG 9 HG2 ARG 9 -5.665 -6.475 -17.658 56 HG3 ARG 9 HG3 ARG 9 -4.051 -7.185 -17.572 57 HD2 ARG 9 HD2 ARG 9 -4.703 -8.881 -19.199 58 HD3 ARG 9 HD3 ARG 9 -6.329 -8.204 -19.267 59 HE ARG 9 HE ARG 9 -3.991 -7.219 -20.598 60 HH11 ARG 9 HH11 ARG 9 -7.084 -6.336 -19.266 61 HH12 ARG 9 HH12 ARG 9 -7.269 -4.943 -20.280 62 HH21 ARG 9 HH21 ARG 9 -4.223 -5.388 -21.938 63 HH22 ARG 9 HH22 ARG 9 -5.642 -4.405 -21.801 64 H GLN 10 H GLN 10 -4.133 -5.804 -15.891 65 HA GLN 10 HA GLN 10 -1.624 -6.712 -15.200 66 HB2 GLN 10 HB2 GLN 10 -2.775 -3.931 -15.277 67 HB3 GLN 10 HB3 GLN 10 -1.082 -4.221 -14.896 68 HG2 GLN 10 HG2 GLN 10 -2.261 -5.390 -17.374 69 HG3 GLN 10 HG3 GLN 10 -1.809 -3.687 -17.332 70 HE21 GLN 10 HE21 GLN 10 -0.219 -4.063 -18.905 71 HE22 GLN 10 HE22 GLN 10 1.279 -4.827 -18.509 72 H CYS 11 H CYS 11 -4.130 -5.413 -13.150 73 HA CYS 11 HA CYS 11 -2.388 -5.124 -10.861 74 HB2 CYS 11 HB2 CYS 11 -4.218 -3.570 -11.058 75 HB3 CYS 11 HB3 CYS 11 -5.383 -4.883 -11.183 76 H TRP 12 H TRP 12 -4.822 -7.393 -12.024 77 HA TRP 12 HA TRP 12 -5.152 -8.962 -9.763 78 HB2 TRP 12 HB2 TRP 12 -5.122 -9.826 -12.661 79 HB3 TRP 12 HB3 TRP 12 -5.750 -10.791 -11.328 80 HD1 TRP 12 HD1 TRP 12 -6.825 -7.513 -10.402 81 HE1 TRP 12 HE1 TRP 12 -9.205 -6.988 -11.231 82 HE3 TRP 12 HE3 TRP 12 -7.317 -11.239 -13.867 83 HZ2 TRP 12 HZ2 TRP 12 -11.047 -8.018 -13.105 84 HZ3 TRP 12 HZ3 TRP 12 -9.420 -11.401 -15.135 85 HH2 TRP 12 HH2 TRP 12 -11.245 -9.823 -14.759 86 H GLY 13 H GLY 13 -2.613 -9.071 -12.218 87 HA2 GLY 13 HA2 GLY 13 -1.346 -11.432 -11.581 88 HA3 GLY 13 HA3 GLY 13 -0.510 -9.995 -12.147 89 HA PRO 14 HA PRO 14 1.428 -9.365 -8.269 90 HB2 PRO 14 HB2 PRO 14 1.040 -6.739 -7.704 91 HB3 PRO 14 HB3 PRO 14 2.123 -7.295 -8.986 92 HG2 PRO 14 HG2 PRO 14 -0.686 -6.278 -9.187 93 HG3 PRO 14 HG3 PRO 14 0.711 -5.917 -10.218 94 HD2 PRO 14 HD2 PRO 14 -1.204 -7.694 -10.930 95 HD3 PRO 14 HD3 PRO 14 0.495 -7.875 -11.413 96 H CYS 15 H CYS 15 -1.915 -8.342 -8.453 97 HA CYS 15 HA CYS 15 -2.358 -7.908 -5.700 98 HB2 CYS 15 HB2 CYS 15 -3.896 -7.115 -7.455 99 HB3 CYS 15 HB3 CYS 15 -4.324 -8.782 -7.829 100 H LYS 16 H LYS 16 -2.437 -10.787 -7.704 101 HA LYS 16 HA LYS 16 -3.695 -12.506 -5.852 102 HB2 LYS 16 HB2 LYS 16 -2.940 -12.745 -8.440 103 HB3 LYS 16 HB3 LYS 16 -1.668 -13.677 -7.660 104 HG2 LYS 16 HG2 LYS 16 -4.571 -14.168 -7.088 105 HG3 LYS 16 HG3 LYS 16 -3.734 -14.935 -8.440 106 HD2 LYS 16 HD2 LYS 16 -2.844 -15.104 -5.563 107 HD3 LYS 16 HD3 LYS 16 -3.812 -16.332 -6.382 108 HE2 LYS 16 HE2 LYS 16 -1.920 -17.264 -7.083 109 HE3 LYS 16 HE3 LYS 16 -1.634 -15.831 -8.069 110 HZ1 LYS 16 HZ1 LYS 16 -0.908 -15.443 -5.328 111 HZ2 LYS 16 HZ2 LYS 16 -0.004 -15.171 -6.730 112 HZ3 LYS 16 HZ3 LYS 16 -0.050 -16.715 -6.040 113 H LYS 17 H LYS 17 -0.302 -11.708 -6.445 114 HA LYS 17 HA LYS 17 0.904 -13.581 -4.782 115 HB2 LYS 17 HB2 LYS 17 1.901 -11.751 -6.390 116 HB3 LYS 17 HB3 LYS 17 1.981 -10.793 -4.918 117 HG2 LYS 17 HG2 LYS 17 4.050 -11.735 -4.880 118 HG3 LYS 17 HG3 LYS 17 3.152 -12.958 -3.978 119 HD2 LYS 17 HD2 LYS 17 2.811 -14.151 -6.180 120 HD3 LYS 17 HD3 LYS 17 3.983 -13.028 -6.872 121 HE2 LYS 17 HE2 LYS 17 5.674 -13.785 -5.306 122 HE3 LYS 17 HE3 LYS 17 4.505 -14.846 -4.521 123 HZ1 LYS 17 HZ1 LYS 17 6.081 -15.321 -6.832 124 HZ2 LYS 17 HZ2 LYS 17 4.439 -15.509 -7.194 125 HZ3 LYS 17 HZ3 LYS 17 5.137 -16.407 -5.941 126 H GLN 18 H GLN 18 -0.112 -10.260 -3.985 127 HA GLN 18 HA GLN 18 0.514 -10.536 -1.215 128 HB2 GLN 18 HB2 GLN 18 -0.717 -8.476 -2.948 129 HB3 GLN 18 HB3 GLN 18 -1.178 -8.433 -1.251 130 HG2 GLN 18 HG2 GLN 18 1.384 -8.567 -0.832 131 HG3 GLN 18 HG3 GLN 18 1.495 -8.002 -2.498 132 HE21 GLN 18 HE21 GLN 18 -0.193 -7.270 0.533 133 HE22 GLN 18 HE22 GLN 18 -0.113 -5.552 0.363 134 H THR 19 H THR 19 -2.499 -10.611 -3.084 135 HA THR 19 HA THR 19 -3.751 -12.074 -0.871 136 HB THR 19 HB THR 19 -5.781 -10.814 -0.978 137 HG1 THR 19 HG1 THR 19 -6.008 -10.233 -3.083 138 HG21 THR 19 HG21 THR 19 -3.432 -8.914 -0.941 139 HG22 THR 19 HG22 THR 19 -4.037 -9.843 0.431 140 HG23 THR 19 HG23 THR 19 -5.036 -8.579 -0.287 141 H THR 20 H THR 20 -4.487 -13.947 -1.602 142 HA THR 20 HA THR 20 -4.468 -14.893 -4.148 143 HB THR 20 HB THR 20 -6.172 -16.554 -3.481 144 HG1 THR 20 HG1 THR 20 -6.387 -14.909 -1.161 145 HG21 THR 20 HG21 THR 20 -3.650 -16.246 -2.467 146 HG22 THR 20 HG22 THR 20 -4.667 -17.668 -2.234 147 HG23 THR 20 HG23 THR 20 -4.616 -16.408 -1.001 148 H CYS 21 H CYS 21 -6.991 -12.964 -2.644 149 HA CYS 21 HA CYS 21 -8.903 -13.276 -4.728 150 HB2 CYS 21 HB2 CYS 21 -8.586 -11.367 -2.431 151 HB3 CYS 21 HB3 CYS 21 -9.828 -11.096 -3.649 152 H THR 22 H THR 22 -8.152 -12.789 -6.732 153 HA THR 22 HA THR 22 -6.470 -10.598 -7.339 154 HB THR 22 HB THR 22 -7.500 -11.041 -9.736 155 HG1 THR 22 HG1 THR 22 -8.554 -12.938 -9.915 156 HG21 THR 22 HG21 THR 22 -6.005 -13.196 -9.767 157 HG22 THR 22 HG22 THR 22 -5.585 -12.681 -8.133 158 HG23 THR 22 HG23 THR 22 -5.277 -11.613 -9.501 159 H ASN 23 H ASN 23 -9.890 -10.900 -6.932 160 HA ASN 23 HA ASN 23 -10.942 -8.889 -8.466 161 HB2 ASN 23 HB2 ASN 23 -12.025 -10.492 -6.671 162 HB3 ASN 23 HB3 ASN 23 -11.831 -9.094 -5.617 163 HD21 ASN 23 HD21 ASN 23 -13.263 -7.485 -5.732 164 HD22 ASN 23 HD22 ASN 23 -14.539 -7.377 -6.891 165 H SER 24 H SER 24 -9.976 -6.973 -8.767 166 HA SER 24 HA SER 24 -9.768 -5.177 -6.491 167 HB2 SER 24 HB2 SER 24 -7.534 -6.267 -6.658 168 HB3 SER 24 HB3 SER 24 -7.393 -5.659 -8.308 169 HG SER 24 HG SER 24 -7.084 -3.676 -7.572 170 H LYS 25 H LYS 25 -8.932 -2.943 -7.372 171 HA LYS 25 HA LYS 25 -10.017 -2.455 -10.055 172 HB2 LYS 25 HB2 LYS 25 -10.940 -1.287 -7.474 173 HB3 LYS 25 HB3 LYS 25 -10.893 -0.232 -8.880 174 HG2 LYS 25 HG2 LYS 25 -12.214 -2.881 -9.142 175 HG3 LYS 25 HG3 LYS 25 -13.048 -1.597 -8.263 176 HD2 LYS 25 HD2 LYS 25 -13.814 -1.157 -10.365 177 HD3 LYS 25 HD3 LYS 25 -12.337 -0.192 -10.399 178 HE2 LYS 25 HE2 LYS 25 -11.227 -1.703 -11.746 179 HE3 LYS 25 HE3 LYS 25 -12.250 -3.051 -11.254 180 HZ1 LYS 25 HZ1 LYS 25 -12.601 -1.172 -13.401 181 HZ2 LYS 25 HZ2 LYS 25 -13.992 -1.366 -12.458 182 HZ3 LYS 25 HZ3 LYS 25 -13.273 -2.711 -13.191 183 H CYS 26 H CYS 26 -8.507 -1.495 -11.229 184 HA CYS 26 HA CYS 26 -6.305 -0.109 -9.948 185 HB2 CYS 26 HB2 CYS 26 -6.222 -1.726 -12.006 186 HB3 CYS 26 HB3 CYS 26 -6.662 -0.286 -12.920 187 H MET 27 H MET 27 -6.818 1.887 -9.258 188 HA MET 27 HA MET 27 -7.989 3.736 -11.230 189 HB2 MET 27 HB2 MET 27 -9.063 4.937 -9.380 190 HB3 MET 27 HB3 MET 27 -9.613 3.269 -9.468 191 HG2 MET 27 HG2 MET 27 -9.266 3.380 -7.244 192 HG3 MET 27 HG3 MET 27 -7.631 2.941 -7.730 193 HE1 MET 27 HE1 MET 27 -7.705 5.515 -4.659 194 HE2 MET 27 HE2 MET 27 -8.324 3.923 -5.098 195 HE3 MET 27 HE3 MET 27 -6.592 4.250 -5.182 196 H ASN 28 H ASN 28 -7.042 5.718 -11.453 197 HA ASN 28 HA ASN 28 -5.400 7.290 -11.394 198 HB2 ASN 28 HB2 ASN 28 -5.613 6.495 -8.507 199 HB3 ASN 28 HB3 ASN 28 -4.380 7.644 -9.019 200 HD21 ASN 28 HD21 ASN 28 -6.051 8.607 -7.272 201 HD22 ASN 28 HD22 ASN 28 -7.229 9.650 -7.986 202 H GLY 29 H GLY 29 -4.657 4.702 -12.251 203 HA2 GLY 29 HA2 GLY 29 -2.773 3.500 -12.775 204 HA3 GLY 29 HA3 GLY 29 -1.865 4.926 -12.295 205 H LYS 30 H LYS 30 -3.965 3.332 -10.032 206 HA LYS 30 HA LYS 30 -1.638 2.087 -8.735 207 HB2 LYS 30 HB2 LYS 30 -3.828 3.616 -7.320 208 HB3 LYS 30 HB3 LYS 30 -2.479 2.795 -6.549 209 HG2 LYS 30 HG2 LYS 30 -1.226 4.466 -8.325 210 HG3 LYS 30 HG3 LYS 30 -2.609 5.424 -7.791 211 HD2 LYS 30 HD2 LYS 30 -1.972 5.159 -5.488 212 HD3 LYS 30 HD3 LYS 30 -0.687 4.032 -5.928 213 HE2 LYS 30 HE2 LYS 30 -0.153 6.279 -7.452 214 HE3 LYS 30 HE3 LYS 30 -0.694 6.938 -5.908 215 HZ1 LYS 30 HZ1 LYS 30 1.812 6.065 -6.460 216 HZ2 LYS 30 HZ2 LYS 30 1.147 4.753 -5.625 217 HZ3 LYS 30 HZ3 LYS 30 1.171 6.286 -4.909 218 H CYS 31 H CYS 31 -2.073 0.233 -7.481 219 HA CYS 31 HA CYS 31 -4.597 -1.086 -8.196 220 HB2 CYS 31 HB2 CYS 31 -2.671 -2.317 -8.938 221 HB3 CYS 31 HB3 CYS 31 -1.919 -2.201 -7.350 222 H LYS 32 H LYS 32 -6.088 -1.435 -6.694 223 HA LYS 32 HA LYS 32 -5.267 -1.430 -3.865 224 HB2 LYS 32 HB2 LYS 32 -6.365 0.658 -4.229 225 HB3 LYS 32 HB3 LYS 32 -7.660 -0.107 -5.140 226 HG2 LYS 32 HG2 LYS 32 -8.360 0.561 -2.889 227 HG3 LYS 32 HG3 LYS 32 -8.486 -1.181 -3.141 228 HD2 LYS 32 HD2 LYS 32 -7.542 -0.693 -0.949 229 HD3 LYS 32 HD3 LYS 32 -6.353 -1.497 -1.974 230 HE2 LYS 32 HE2 LYS 32 -5.364 0.361 -0.721 231 HE3 LYS 32 HE3 LYS 32 -5.300 0.640 -2.460 232 HZ1 LYS 32 HZ1 LYS 32 -6.272 2.372 -0.606 233 HZ2 LYS 32 HZ2 LYS 32 -7.677 1.688 -1.254 234 HZ3 LYS 32 HZ3 LYS 32 -6.560 2.448 -2.272 235 H CYS 33 H CYS 33 -5.313 -3.608 -3.528 236 HA CYS 33 HA CYS 33 -7.227 -5.388 -4.560 237 HB2 CYS 33 HB2 CYS 33 -5.260 -5.502 -2.302 238 HB3 CYS 33 HB3 CYS 33 -6.448 -6.789 -2.482 239 H TYR 34 H TYR 34 -9.109 -6.231 -3.738 240 HA TYR 34 HA TYR 34 -10.465 -4.575 -1.773 241 HB2 TYR 34 HB2 TYR 34 -11.332 -6.661 -3.743 242 HB3 TYR 34 HB3 TYR 34 -12.394 -6.229 -2.407 243 HD1 TYR 34 HD1 TYR 34 -12.118 -5.719 -5.696 244 HD2 TYR 34 HD2 TYR 34 -12.176 -3.395 -2.132 245 HE1 TYR 34 HE1 TYR 34 -12.934 -3.784 -6.978 246 HE2 TYR 34 HE2 TYR 34 -12.994 -1.455 -3.404 247 HH TYR 34 HH TYR 34 -14.391 -1.258 -5.766 248 H GLY 35 H GLY 35 -9.291 -7.870 -2.137 249 HA2 GLY 35 HA2 GLY 35 -8.740 -9.387 -0.475 250 HA3 GLY 35 HA3 GLY 35 -9.301 -8.228 0.721 251 H CYS 36 H CYS 36 -9.755 -11.170 0.365 252 HA CYS 36 HA CYS 36 -12.376 -11.704 -0.440 253 HB2 CYS 36 HB2 CYS 36 -10.802 -13.098 1.736 254 HB3 CYS 36 HB3 CYS 36 -12.192 -13.754 0.878 255 H VAL 37 H VAL 37 -14.213 -10.916 0.322 256 HA VAL 37 HA VAL 37 -14.387 -10.268 3.194 257 HB VAL 37 HB VAL 37 -16.074 -8.580 2.626 258 HG11 VAL 37 HG11 VAL 37 -14.426 -7.096 2.497 259 HG12 VAL 37 HG12 VAL 37 -13.313 -8.428 2.181 260 HG13 VAL 37 HG13 VAL 37 -14.064 -7.568 0.837 261 HG21 VAL 37 HG21 VAL 37 -17.073 -9.364 0.653 262 HG22 VAL 37 HG22 VAL 37 -16.198 -7.914 0.162 263 HG23 VAL 37 HG23 VAL 37 -15.524 -9.507 -0.178
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