NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627308 | 6btv | 30377 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 1HT ASP 1 -10.729 4.793 -6.555 2 H2 ASP 1 2HT ASP 1 -12.335 4.915 -5.970 3 H3 ASP 1 3HT ASP 1 -11.373 3.593 -5.581 4 HA ASP 1 HA ASP 1 -10.763 6.337 -4.729 5 HB2 ASP 1 2HB ASP 1 -11.319 5.552 -2.499 6 HB3 ASP 1 1HB ASP 1 -12.717 5.300 -3.529 7 H CYS 2 H CYS 2 -9.112 6.038 -2.856 8 HA CYS 2 HA CYS 2 -7.435 3.759 -3.357 9 HB2 CYS 2 2HB CYS 2 -5.424 5.246 -3.297 10 HB3 CYS 2 1HB CYS 2 -6.375 5.355 -4.754 11 H LEU 3 H LEU 3 -5.484 4.102 -1.768 12 HA LEU 3 HA LEU 3 -6.736 4.347 0.860 13 HB2 LEU 3 2HB LEU 3 -4.427 2.680 -0.087 14 HB3 LEU 3 1HB LEU 3 -5.023 2.731 1.561 15 HG LEU 3 HG LEU 3 -6.545 1.682 -0.831 16 HD11 LEU 3 1HD1 LEU 3 -4.698 0.260 -0.203 17 HD12 LEU 3 2HD1 LEU 3 -6.239 -0.488 0.217 18 HD13 LEU 3 3HD1 LEU 3 -5.247 0.258 1.472 19 HD21 LEU 3 1HD2 LEU 3 -7.251 1.711 2.101 20 HD22 LEU 3 2HD2 LEU 3 -8.137 0.855 0.845 21 HD23 LEU 3 3HD2 LEU 3 -8.059 2.615 0.819 22 H GLY 4 H GLY 4 -5.013 4.822 2.520 23 HA2 GLY 4 2HA GLY 4 -3.284 6.793 1.367 24 HA3 GLY 4 1HA GLY 4 -3.849 6.822 3.052 25 H TRP 5 H TRP 5 -2.726 5.447 4.627 26 HA TRP 5 HA TRP 5 -0.481 4.145 3.478 27 HB2 TRP 5 2HB TRP 5 -0.086 6.302 4.789 28 HB3 TRP 5 1HB TRP 5 -0.481 5.341 6.202 29 HD1 TRP 5 HD TRP 5 1.120 2.758 5.838 30 HE1 TRP 5 1HE TRP 5 3.704 2.713 5.772 31 HE3 TRP 5 3HE TRP 5 1.952 7.600 4.507 32 HZ2 TRP 5 2HZ TRP 5 5.810 4.528 5.225 33 HZ3 TRP 5 3HZ TRP 5 4.276 8.376 4.230 34 HH2 TRP 5 HH TRP 5 6.159 6.865 4.582 35 H PHE 6 H PHE 6 -1.832 4.113 6.620 36 HA PHE 6 HA PHE 6 -1.138 1.296 6.857 37 HB2 PHE 6 2HB PHE 6 -2.574 3.042 8.851 38 HB3 PHE 6 1HB PHE 6 -1.825 1.478 9.181 39 HD1 PHE 6 1HD PHE 6 0.698 1.326 8.754 40 HD2 PHE 6 2HD PHE 6 -1.436 4.979 9.158 41 HE1 PHE 6 1HE PHE 6 2.776 2.473 9.334 42 HE2 PHE 6 2HE PHE 6 0.651 6.131 9.732 43 HZ PHE 6 HZ PHE 6 2.741 4.886 9.825 44 H LYS 7 H LYS 7 -3.383 2.191 5.109 45 HA LYS 7 HA LYS 7 -5.611 0.717 6.266 46 HB2 LYS 7 2HB LYS 7 -5.325 1.729 3.465 47 HB3 LYS 7 1HB LYS 7 -6.763 1.118 4.207 48 HG2 LYS 7 2HG LYS 7 -5.409 3.677 5.054 49 HG3 LYS 7 1HG LYS 7 -6.846 3.567 4.038 50 HD2 LYS 7 2HD LYS 7 -7.999 2.387 5.910 51 HD3 LYS 7 1HD LYS 7 -6.582 2.682 6.915 52 HE2 LYS 7 2HE LYS 7 -8.239 4.373 7.401 53 HE3 LYS 7 1HE LYS 7 -6.892 5.124 6.556 54 HZ1 LYS 7 1HZ LYS 7 -8.209 5.076 4.508 55 HZ2 LYS 7 2HZ LYS 7 -9.039 5.898 5.704 56 HZ3 LYS 7 3HZ LYS 7 -9.484 4.341 5.305 57 H SER 8 H SER 8 -6.163 -1.318 5.619 58 HA SER 8 HA SER 8 -4.083 -2.952 4.814 59 HB2 SER 8 2HB SER 8 -6.984 -3.581 4.987 60 HB3 SER 8 1HB SER 8 -5.591 -4.613 5.273 61 HG SER 8 HG SER 8 -6.759 -3.586 7.187 62 H CYS 9 H CYS 9 -3.815 -3.934 2.962 63 HA CYS 9 HA CYS 9 -5.627 -3.547 0.741 64 HB2 CYS 9 2HB CYS 9 -4.138 -1.656 0.711 65 HB3 CYS 9 1HB CYS 9 -2.761 -2.765 0.720 66 H ASP 10 H ASP 10 -4.396 -4.595 -1.126 67 HA ASP 10 HA ASP 10 -3.136 -7.082 -0.262 68 HB2 ASP 10 2HB ASP 10 -5.635 -7.381 -0.496 69 HB3 ASP 10 1HB ASP 10 -5.432 -7.010 -2.203 70 HA PRO 11 HA PRO 11 -0.519 -5.554 -3.510 71 HB2 PRO 11 2HB PRO 11 0.642 -8.010 -4.037 72 HB3 PRO 11 1HB PRO 11 1.235 -6.838 -2.834 73 HG2 PRO 11 2HG PRO 11 -0.461 -9.262 -2.518 74 HG3 PRO 11 1HG PRO 11 0.803 -8.627 -1.453 75 HD2 PRO 11 2HD PRO 11 -1.756 -8.353 -0.859 76 HD3 PRO 11 1HD PRO 11 -0.611 -7.029 -0.536 77 H LYS 12 H LYS 12 -2.575 -8.290 -3.935 78 HA LYS 12 HA LYS 12 -2.179 -8.399 -6.811 79 HB2 LYS 12 2HB LYS 12 -4.051 -9.912 -5.013 80 HB3 LYS 12 1HB LYS 12 -3.834 -10.222 -6.725 81 HG2 LYS 12 2HG LYS 12 -1.510 -10.846 -6.367 82 HG3 LYS 12 1HG LYS 12 -1.655 -10.467 -4.653 83 HD2 LYS 12 2HD LYS 12 -1.803 -12.874 -5.009 84 HD3 LYS 12 1HD LYS 12 -3.335 -12.240 -4.414 85 HE2 LYS 12 2HE LYS 12 -4.255 -12.287 -6.659 86 HE3 LYS 12 1HE LYS 12 -2.712 -12.826 -7.309 87 HZ1 LYS 12 1HZ LYS 12 -2.947 -14.866 -6.001 88 HZ2 LYS 12 2HZ LYS 12 -4.229 -14.650 -7.057 89 HZ3 LYS 12 3HZ LYS 12 -4.449 -14.327 -5.421 90 H ASN 13 H ASN 13 -4.013 -6.701 -4.652 91 HA ASN 13 HA ASN 13 -5.922 -5.867 -6.699 92 HB2 ASN 13 2HB ASN 13 -6.834 -7.681 -5.266 93 HB3 ASN 13 1HB ASN 13 -6.580 -6.666 -3.875 94 HD21 ASN 13 1HD2 ASN 13 -8.718 -6.799 -3.423 95 HD22 ASN 13 2HD2 ASN 13 -9.933 -5.852 -4.217 96 H ASP 14 H ASP 14 -3.721 -4.606 -6.098 97 HA ASP 14 HA ASP 14 -3.533 -2.874 -3.935 98 HB2 ASP 14 2HB ASP 14 -1.744 -3.286 -5.584 99 HB3 ASP 14 1HB ASP 14 -2.660 -2.329 -6.754 100 H LYS 15 H LYS 15 -4.455 -1.091 -3.389 101 HA LYS 15 HA LYS 15 -6.256 0.305 -5.235 102 HB2 LYS 15 2HB LYS 15 -6.600 -0.376 -2.329 103 HB3 LYS 15 1HB LYS 15 -7.565 0.822 -3.158 104 HG2 LYS 15 2HG LYS 15 -7.428 -2.127 -3.827 105 HG3 LYS 15 1HG LYS 15 -8.724 -1.344 -2.928 106 HD2 LYS 15 2HD LYS 15 -7.980 -0.781 -5.816 107 HD3 LYS 15 1HD LYS 15 -9.342 -1.750 -5.280 108 HE2 LYS 15 2HE LYS 15 -8.964 1.207 -4.725 109 HE3 LYS 15 1HE LYS 15 -10.025 0.512 -5.942 110 HZ1 LYS 15 1HZ LYS 15 -11.225 1.146 -3.942 111 HZ2 LYS 15 2HZ LYS 15 -10.277 0.115 -3.017 112 HZ3 LYS 15 3HZ LYS 15 -11.319 -0.524 -4.171 113 H CYS 16 H CYS 16 -3.433 0.778 -4.510 114 HA CYS 16 HA CYS 16 -3.522 2.967 -2.666 115 HB2 CYS 16 2HB CYS 16 -1.343 1.551 -4.111 116 HB3 CYS 16 1HB CYS 16 -1.055 3.062 -3.248 117 H CYS 17 H CYS 17 -2.845 5.043 -3.082 118 HA CYS 17 HA CYS 17 -3.576 5.948 -5.702 119 HB2 CYS 17 2HB CYS 17 -3.569 7.058 -3.042 120 HB3 CYS 17 1HB CYS 17 -2.667 8.097 -4.118 121 H LYS 18 H LYS 18 -2.014 8.155 -5.867 122 HA LYS 18 HA LYS 18 0.285 7.137 -7.158 123 HB2 LYS 18 2HB LYS 18 -0.908 9.166 -7.872 124 HB3 LYS 18 1HB LYS 18 -0.406 9.965 -6.385 125 HG2 LYS 18 2HG LYS 18 1.877 9.705 -6.992 126 HG3 LYS 18 1HG LYS 18 1.408 8.846 -8.462 127 HD2 LYS 18 2HD LYS 18 0.231 10.854 -9.230 128 HD3 LYS 18 1HD LYS 18 0.774 11.717 -7.780 129 HE2 LYS 18 2HE LYS 18 3.092 11.376 -8.438 130 HE3 LYS 18 1HE LYS 18 2.568 10.480 -9.861 131 HZ1 LYS 18 1HZ LYS 18 1.429 12.519 -10.597 132 HZ2 LYS 18 2HZ LYS 18 3.090 12.651 -10.518 133 HZ3 LYS 18 3HZ LYS 18 2.140 13.363 -9.309 134 H ASN 19 H ASN 19 2.288 6.887 -6.569 135 HA ASN 19 HA ASN 19 4.180 6.895 -5.420 136 HB2 ASN 19 2HB ASN 19 2.832 9.111 -3.996 137 HB3 ASN 19 1HB ASN 19 4.402 8.522 -3.410 138 HD21 ASN 19 1HD2 ASN 19 6.219 8.847 -4.793 139 HD22 ASN 19 2HD2 ASN 19 6.193 9.999 -6.064 140 H TYR 20 H TYR 20 1.539 5.557 -4.483 141 HA TYR 20 HA TYR 20 2.846 4.349 -2.189 142 HB2 TYR 20 2HB TYR 20 -0.080 4.931 -2.567 143 HB3 TYR 20 1HB TYR 20 0.555 3.855 -1.356 144 HD1 TYR 20 1HD TYR 20 1.622 4.689 0.644 145 HD2 TYR 20 2HD TYR 20 0.324 7.404 -2.361 146 HE1 TYR 20 1HE TYR 20 1.947 6.538 2.195 147 HE2 TYR 20 2HE TYR 20 0.643 9.274 -0.817 148 HH TYR 20 HH TYR 20 2.406 9.040 2.005 149 H THR 21 H THR 21 2.168 2.173 -1.872 150 HA THR 21 HA THR 21 0.860 0.627 -3.904 151 HB THR 21 HB THR 21 3.739 0.132 -3.343 152 HG1 THR 21 1HG THR 21 2.715 1.877 -5.068 153 HG21 THR 21 1HG2 THR 21 1.894 -1.142 -5.348 154 HG22 THR 21 2HG2 THR 21 2.571 -1.874 -3.891 155 HG23 THR 21 3HG2 THR 21 3.623 -1.478 -5.247 156 H CYS 22 H CYS 22 0.152 -1.215 -2.847 157 HA CYS 22 HA CYS 22 0.826 -1.156 -0.099 158 HB2 CYS 22 2HB CYS 22 -0.892 -2.886 0.122 159 HB3 CYS 22 1HB CYS 22 -1.471 -1.272 -0.308 160 H SER 23 H SER 23 1.819 -2.418 1.036 161 HA SER 23 HA SER 23 3.623 -4.286 -0.206 162 HB2 SER 23 2HB SER 23 4.430 -2.715 1.489 163 HB3 SER 23 1HB SER 23 3.246 -3.313 2.642 164 HG SER 23 HG SER 23 5.692 -4.318 1.912 165 H ARG 24 H ARG 24 3.853 -6.444 0.736 166 HA ARG 24 HA ARG 24 1.286 -7.578 1.600 167 HB2 ARG 24 2HB ARG 24 2.689 -8.337 -0.486 168 HB3 ARG 24 1HB ARG 24 3.664 -9.144 0.736 169 HG2 ARG 24 2HG ARG 24 0.705 -9.642 0.297 170 HG3 ARG 24 1HG ARG 24 1.991 -10.652 -0.353 171 HD2 ARG 24 2HD ARG 24 1.390 -10.119 2.532 172 HD3 ARG 24 1HD ARG 24 0.964 -11.584 1.647 173 HE ARG 24 HE ARG 24 3.646 -11.365 1.269 174 HH11 ARG 24 1HH1 ARG 24 1.650 -11.575 4.190 175 HH12 ARG 24 2HH1 ARG 24 2.867 -12.311 5.128 176 HH21 ARG 24 1HH2 ARG 24 5.283 -12.424 2.561 177 HH22 ARG 24 2HH2 ARG 24 4.959 -12.821 4.188 178 H ARG 25 H ARG 25 4.620 -6.982 2.361 179 HA ARG 25 HA ARG 25 4.963 -8.701 4.555 180 HB2 ARG 25 2HB ARG 25 6.735 -7.363 3.343 181 HB3 ARG 25 1HB ARG 25 6.125 -5.940 4.182 182 HG2 ARG 25 2HG ARG 25 6.529 -7.241 6.297 183 HG3 ARG 25 1HG ARG 25 7.459 -8.344 5.264 184 HD2 ARG 25 2HD ARG 25 9.012 -6.782 6.203 185 HD3 ARG 25 1HD ARG 25 8.788 -6.362 4.504 186 HE ARG 25 HE ARG 25 6.974 -4.781 5.707 187 HH11 ARG 25 1HH1 ARG 25 10.439 -5.179 6.179 188 HH12 ARG 25 2HH1 ARG 25 10.641 -3.730 7.031 189 HH21 ARG 25 1HH2 ARG 25 7.190 -2.855 6.893 190 HH22 ARG 25 2HH2 ARG 25 8.730 -2.344 7.461 191 H ASP 26 H ASP 26 4.067 -5.298 4.251 192 HA ASP 26 HA ASP 26 3.242 -5.127 7.014 193 HB2 ASP 26 2HB ASP 26 3.405 -3.098 4.796 194 HB3 ASP 26 1HB ASP 26 2.923 -2.759 6.440 195 H ARG 27 H ARG 27 1.885 -5.817 3.955 196 HA ARG 27 HA ARG 27 0.008 -5.663 2.925 197 HB2 ARG 27 2HB ARG 27 -1.251 -6.396 5.574 198 HB3 ARG 27 1HB ARG 27 -1.834 -6.646 3.914 199 HG2 ARG 27 2HG ARG 27 0.181 -8.062 3.542 200 HG3 ARG 27 1HG ARG 27 0.396 -8.040 5.292 201 HD2 ARG 27 2HD ARG 27 -0.829 -10.004 4.736 202 HD3 ARG 27 1HD ARG 27 -1.946 -8.886 5.507 203 HE ARG 27 HE ARG 27 -1.805 -9.459 2.627 204 HH11 ARG 27 1HH1 ARG 27 -3.674 -8.276 5.425 205 HH12 ARG 27 2HH1 ARG 27 -5.120 -8.093 4.557 206 HH21 ARG 27 1HH2 ARG 27 -3.807 -9.255 1.441 207 HH22 ARG 27 2HH2 ARG 27 -5.188 -8.649 2.228 208 H TRP 28 H TRP 28 0.767 -3.074 4.274 209 HA TRP 28 HA TRP 28 -1.856 -1.906 3.896 210 HB2 TRP 28 2HB TRP 28 -1.117 0.034 5.269 211 HB3 TRP 28 1HB TRP 28 -1.127 -1.476 6.122 212 HD1 TRP 28 HD TRP 28 1.811 -0.009 4.063 213 HE1 TRP 28 1HE TRP 28 3.820 0.220 5.727 214 HE3 TRP 28 3HE TRP 28 -0.552 -1.408 8.241 215 HZ2 TRP 28 2HZ TRP 28 4.251 -0.152 8.492 216 HZ3 TRP 28 3HZ TRP 28 0.624 -1.462 10.365 217 HH2 TRP 28 HH TRP 28 3.009 -0.842 10.513 218 H CYS 29 H CYS 29 -1.602 0.451 3.191 219 HA CYS 29 HA CYS 29 -0.337 0.363 0.603 220 HB2 CYS 29 2HB CYS 29 -2.627 1.360 1.161 221 HB3 CYS 29 1HB CYS 29 -1.755 2.668 1.945 222 H LYS 30 H LYS 30 1.794 0.498 0.737 223 HA LYS 30 HA LYS 30 2.982 2.136 2.788 224 HB2 LYS 30 2HB LYS 30 3.452 -0.295 2.476 225 HB3 LYS 30 1HB LYS 30 4.134 0.089 0.912 226 HG2 LYS 30 2HG LYS 30 5.901 1.277 1.886 227 HG3 LYS 30 1HG LYS 30 5.137 1.214 3.486 228 HD2 LYS 30 2HD LYS 30 5.283 -1.252 3.427 229 HD3 LYS 30 1HD LYS 30 6.131 -1.145 1.885 230 HE2 LYS 30 2HE LYS 30 7.967 -0.008 2.928 231 HE3 LYS 30 1HE LYS 30 7.091 0.086 4.454 232 HZ1 LYS 30 1HZ LYS 30 8.019 -2.374 3.102 233 HZ2 LYS 30 2HZ LYS 30 7.099 -2.357 4.516 234 HZ3 LYS 30 3HZ LYS 30 8.677 -1.699 4.497 235 H TYR 31 H TYR 31 4.412 3.765 2.244 236 HA TYR 31 HA TYR 31 3.978 5.121 -0.170 237 HB2 TYR 31 2HB TYR 31 4.791 6.127 2.020 238 HB3 TYR 31 1HB TYR 31 6.368 5.446 1.621 239 HD1 TYR 31 1HD TYR 31 3.747 7.679 0.229 240 HD2 TYR 31 2HD TYR 31 7.888 6.731 0.378 241 HE1 TYR 31 1HE TYR 31 4.234 9.678 -1.077 242 HE2 TYR 31 2HE TYR 31 8.393 8.738 -0.940 243 HH TYR 31 HH TYR 31 7.239 10.212 -2.509 244 H TYR 32 H TYR 32 4.894 4.928 -2.051 245 HA TYR 32 HA TYR 32 6.863 2.833 -2.360 246 HB2 TYR 32 2HB TYR 32 4.795 2.742 -3.660 247 HB3 TYR 32 1HB TYR 32 5.212 4.274 -4.433 248 HD1 TYR 32 1HD TYR 32 6.557 0.875 -3.834 249 HD2 TYR 32 2HD TYR 32 6.332 4.191 -6.462 250 HE1 TYR 32 1HE TYR 32 7.767 -0.413 -5.531 251 HE2 TYR 32 2HE TYR 32 7.544 2.933 -8.179 252 HH TYR 32 HH TYR 32 9.018 1.087 -8.342 253 H LEU 33 H LEU 33 8.795 3.370 -2.485 254 HA LEU 33 HA LEU 33 9.616 6.109 -2.785 255 HB2 LEU 33 2HB LEU 33 10.654 4.625 -1.124 256 HB3 LEU 33 1HB LEU 33 11.245 3.599 -2.413 257 HG LEU 33 HG LEU 33 12.661 5.448 -3.212 258 HD11 LEU 33 1HD1 LEU 33 12.995 7.414 -1.781 259 HD12 LEU 33 2HD1 LEU 33 11.665 6.878 -0.753 260 HD13 LEU 33 3HD1 LEU 33 11.359 7.335 -2.427 261 HD21 LEU 33 1HD2 LEU 33 14.273 5.363 -1.357 262 HD22 LEU 33 2HD2 LEU 33 13.577 3.782 -1.707 263 HD23 LEU 33 3HD2 LEU 33 13.018 4.701 -0.312 264 HN1 NH2 34 1H LEU 33 9.219 6.656 -4.854 265 HN2 NH2 34 2H LEU 33 9.989 5.963 -6.241 Start of MODEL 2 1 H1 ASP 1 1HT ASP 1 -11.313 8.870 -2.114 2 H2 ASP 1 2HT ASP 1 -12.044 9.548 -3.485 3 H3 ASP 1 3HT ASP 1 -10.398 9.806 -3.165 4 HA ASP 1 HA ASP 1 -11.608 7.189 -3.745 5 HB2 ASP 1 2HB ASP 1 -10.539 7.299 -5.889 6 HB3 ASP 1 1HB ASP 1 -11.375 8.831 -5.704 7 H CYS 2 H CYS 2 -9.598 5.784 -4.442 8 HA CYS 2 HA CYS 2 -7.952 4.560 -3.776 9 HB2 CYS 2 2HB CYS 2 -5.791 5.591 -3.554 10 HB3 CYS 2 1HB CYS 2 -6.626 6.080 -4.990 11 H LEU 3 H LEU 3 -5.977 4.360 -2.164 12 HA LEU 3 HA LEU 3 -7.112 4.631 0.526 13 HB2 LEU 3 2HB LEU 3 -5.349 2.450 -0.583 14 HB3 LEU 3 1HB LEU 3 -5.871 2.577 1.082 15 HG LEU 3 HG LEU 3 -7.635 2.064 -1.300 16 HD11 LEU 3 1HD1 LEU 3 -6.239 0.153 -0.711 17 HD12 LEU 3 2HD1 LEU 3 -7.925 -0.164 -0.295 18 HD13 LEU 3 3HD1 LEU 3 -6.769 0.265 0.968 19 HD21 LEU 3 1HD2 LEU 3 -8.325 2.190 1.643 20 HD22 LEU 3 2HD2 LEU 3 -9.417 1.664 0.362 21 HD23 LEU 3 3HD2 LEU 3 -8.841 3.329 0.398 22 H GLY 4 H GLY 4 -5.515 4.961 2.200 23 HA2 GLY 4 2HA GLY 4 -3.140 6.113 1.106 24 HA3 GLY 4 1HA GLY 4 -3.882 6.586 2.646 25 H TRP 5 H TRP 5 -1.894 6.155 3.659 26 HA TRP 5 HA TRP 5 -0.310 3.956 3.184 27 HB2 TRP 5 2HB TRP 5 0.460 6.134 4.229 28 HB3 TRP 5 1HB TRP 5 -0.208 5.520 5.733 29 HD1 TRP 5 HD TRP 5 0.850 2.619 5.823 30 HE1 TRP 5 1HE TRP 5 3.351 2.072 6.064 31 HE3 TRP 5 3HE TRP 5 2.764 7.017 4.123 32 HZ2 TRP 5 2HZ TRP 5 5.828 3.365 5.594 33 HZ3 TRP 5 3HZ TRP 5 5.207 7.296 4.052 34 HH2 TRP 5 HH TRP 5 6.706 5.503 4.774 35 H PHE 6 H PHE 6 -2.234 4.478 5.953 36 HA PHE 6 HA PHE 6 -1.474 1.810 6.894 37 HB2 PHE 6 2HB PHE 6 -3.060 3.999 8.224 38 HB3 PHE 6 1HB PHE 6 -2.579 2.488 9.018 39 HD1 PHE 6 1HD PHE 6 -1.620 5.796 7.916 40 HD2 PHE 6 2HD PHE 6 -0.210 2.142 9.554 41 HE1 PHE 6 1HE PHE 6 0.439 6.914 8.619 42 HE2 PHE 6 2HE PHE 6 1.855 3.252 10.255 43 HZ PHE 6 HZ PHE 6 2.176 5.644 9.791 44 H LYS 7 H LYS 7 -3.392 2.344 4.711 45 HA LYS 7 HA LYS 7 -5.721 0.941 5.777 46 HB2 LYS 7 2HB LYS 7 -5.160 1.807 2.966 47 HB3 LYS 7 1HB LYS 7 -6.661 1.189 3.576 48 HG2 LYS 7 2HG LYS 7 -5.468 3.825 4.444 49 HG3 LYS 7 1HG LYS 7 -6.780 3.636 3.280 50 HD2 LYS 7 2HD LYS 7 -8.095 2.486 5.041 51 HD3 LYS 7 1HD LYS 7 -6.809 2.842 6.188 52 HE2 LYS 7 2HE LYS 7 -8.402 4.903 4.655 53 HE3 LYS 7 1HE LYS 7 -8.690 4.443 6.326 54 HZ1 LYS 7 1HZ LYS 7 -7.410 6.479 6.166 55 HZ2 LYS 7 2HZ LYS 7 -6.198 5.719 5.300 56 HZ3 LYS 7 3HZ LYS 7 -6.501 5.276 6.899 57 H SER 8 H SER 8 -6.142 -1.177 5.133 58 HA SER 8 HA SER 8 -3.888 -2.693 4.511 59 HB2 SER 8 2HB SER 8 -6.752 -3.491 4.543 60 HB3 SER 8 1HB SER 8 -5.322 -4.455 4.838 61 HG SER 8 HG SER 8 -4.881 -3.077 6.669 62 H CYS 9 H CYS 9 -3.461 -3.629 2.674 63 HA CYS 9 HA CYS 9 -5.268 -3.566 0.425 64 HB2 CYS 9 2HB CYS 9 -4.137 -1.537 0.151 65 HB3 CYS 9 1HB CYS 9 -2.570 -2.320 0.461 66 H ASP 10 H ASP 10 -4.136 -4.693 -1.325 67 HA ASP 10 HA ASP 10 -2.458 -6.864 -0.334 68 HB2 ASP 10 2HB ASP 10 -4.837 -7.551 -0.167 69 HB3 ASP 10 1HB ASP 10 -5.007 -7.282 -1.890 70 HA PRO 11 HA PRO 11 -0.372 -5.821 -4.138 71 HB2 PRO 11 2HB PRO 11 0.594 -8.427 -4.573 72 HB3 PRO 11 1HB PRO 11 1.457 -7.108 -3.767 73 HG2 PRO 11 2HG PRO 11 -0.053 -9.395 -2.596 74 HG3 PRO 11 1HG PRO 11 1.341 -8.505 -1.956 75 HD2 PRO 11 2HD PRO 11 -1.132 -8.219 -0.993 76 HD3 PRO 11 1HD PRO 11 0.016 -6.863 -1.048 77 H LYS 12 H LYS 12 -2.521 -8.584 -3.974 78 HA LYS 12 HA LYS 12 -2.661 -8.713 -6.880 79 HB2 LYS 12 2HB LYS 12 -3.961 -10.405 -4.759 80 HB3 LYS 12 1HB LYS 12 -4.101 -10.681 -6.487 81 HG2 LYS 12 2HG LYS 12 -1.705 -11.073 -6.634 82 HG3 LYS 12 1HG LYS 12 -1.536 -10.754 -4.910 83 HD2 LYS 12 2HD LYS 12 -3.057 -12.657 -4.454 84 HD3 LYS 12 1HD LYS 12 -3.101 -12.994 -6.185 85 HE2 LYS 12 2HE LYS 12 -0.694 -13.351 -6.188 86 HE3 LYS 12 1HE LYS 12 -0.626 -12.986 -4.467 87 HZ1 LYS 12 1HZ LYS 12 -2.099 -15.271 -5.675 88 HZ2 LYS 12 2HZ LYS 12 -2.006 -14.898 -4.029 89 HZ3 LYS 12 3HZ LYS 12 -0.623 -15.344 -4.854 90 H ASN 13 H ASN 13 -4.065 -6.975 -4.487 91 HA ASN 13 HA ASN 13 -6.432 -6.430 -6.118 92 HB2 ASN 13 2HB ASN 13 -6.904 -7.981 -4.150 93 HB3 ASN 13 1HB ASN 13 -6.469 -6.646 -3.108 94 HD21 ASN 13 1HD2 ASN 13 -8.280 -6.291 -6.131 95 HD22 ASN 13 2HD2 ASN 13 -9.723 -5.736 -5.378 96 H ASP 14 H ASP 14 -4.149 -5.130 -6.206 97 HA ASP 14 HA ASP 14 -3.619 -3.108 -4.391 98 HB2 ASP 14 2HB ASP 14 -1.998 -3.522 -6.017 99 HB3 ASP 14 1HB ASP 14 -3.128 -3.164 -7.337 100 H LYS 15 H LYS 15 -4.502 -1.451 -3.801 101 HA LYS 15 HA LYS 15 -6.444 -0.044 -5.451 102 HB2 LYS 15 2HB LYS 15 -6.713 -1.044 -2.649 103 HB3 LYS 15 1HB LYS 15 -7.722 0.234 -3.290 104 HG2 LYS 15 2HG LYS 15 -8.568 -1.308 -5.018 105 HG3 LYS 15 1HG LYS 15 -7.502 -2.565 -4.407 106 HD2 LYS 15 2HD LYS 15 -9.697 -1.270 -2.798 107 HD3 LYS 15 1HD LYS 15 -9.870 -2.794 -3.663 108 HE2 LYS 15 2HE LYS 15 -8.064 -3.759 -2.312 109 HE3 LYS 15 1HE LYS 15 -7.899 -2.236 -1.442 110 HZ1 LYS 15 1HZ LYS 15 -9.234 -3.883 -0.244 111 HZ2 LYS 15 2HZ LYS 15 -10.361 -3.893 -1.490 112 HZ3 LYS 15 3HZ LYS 15 -10.126 -2.501 -0.590 113 H CYS 16 H CYS 16 -3.533 0.284 -4.428 114 HA CYS 16 HA CYS 16 -3.591 2.379 -2.550 115 HB2 CYS 16 2HB CYS 16 -1.458 1.168 -4.245 116 HB3 CYS 16 1HB CYS 16 -1.139 2.701 -3.433 117 H CYS 17 H CYS 17 -2.604 4.495 -2.893 118 HA CYS 17 HA CYS 17 -3.911 5.738 -5.170 119 HB2 CYS 17 2HB CYS 17 -4.058 6.451 -2.636 120 HB3 CYS 17 1HB CYS 17 -2.533 7.246 -2.989 121 H LYS 18 H LYS 18 -2.343 7.987 -5.248 122 HA LYS 18 HA LYS 18 -0.173 7.060 -6.893 123 HB2 LYS 18 2HB LYS 18 -1.591 9.002 -7.524 124 HB3 LYS 18 1HB LYS 18 -0.969 9.867 -6.124 125 HG2 LYS 18 2HG LYS 18 1.238 9.730 -6.972 126 HG3 LYS 18 1HG LYS 18 0.672 8.783 -8.356 127 HD2 LYS 18 2HD LYS 18 -0.660 10.666 -9.121 128 HD3 LYS 18 1HD LYS 18 -0.152 11.625 -7.730 129 HE2 LYS 18 2HE LYS 18 1.676 10.554 -9.896 130 HE3 LYS 18 1HE LYS 18 1.111 12.215 -9.770 131 HZ1 LYS 18 1HZ LYS 18 3.398 11.826 -8.857 132 HZ2 LYS 18 2HZ LYS 18 2.726 10.910 -7.616 133 HZ3 LYS 18 3HZ LYS 18 2.327 12.522 -7.783 134 H ASN 19 H ASN 19 1.842 6.938 -6.498 135 HA ASN 19 HA ASN 19 3.843 7.011 -5.501 136 HB2 ASN 19 2HB ASN 19 2.521 9.117 -3.884 137 HB3 ASN 19 1HB ASN 19 4.207 8.640 -3.574 138 HD21 ASN 19 1HD2 ASN 19 5.748 9.148 -5.269 139 HD22 ASN 19 2HD2 ASN 19 5.384 10.353 -6.445 140 H TYR 20 H TYR 20 1.438 5.498 -4.504 141 HA TYR 20 HA TYR 20 2.752 4.416 -2.133 142 HB2 TYR 20 2HB TYR 20 -0.177 4.753 -2.665 143 HB3 TYR 20 1HB TYR 20 0.464 3.668 -1.470 144 HD1 TYR 20 1HD TYR 20 0.109 7.262 -2.314 145 HD2 TYR 20 2HD TYR 20 1.248 4.435 0.649 146 HE1 TYR 20 1HE TYR 20 0.131 9.041 -0.629 147 HE2 TYR 20 2HE TYR 20 1.289 6.187 2.332 148 HH TYR 20 HH TYR 20 1.454 8.631 2.527 149 H THR 21 H THR 21 2.232 2.177 -1.775 150 HA THR 21 HA THR 21 1.319 0.497 -3.900 151 HB THR 21 HB THR 21 4.160 0.336 -3.055 152 HG1 THR 21 1HG THR 21 3.057 1.930 -4.916 153 HG21 THR 21 1HG2 THR 21 3.248 -1.783 -3.764 154 HG22 THR 21 2HG2 THR 21 4.456 -1.238 -4.928 155 HG23 THR 21 3HG2 THR 21 2.744 -1.078 -5.307 156 H CYS 22 H CYS 22 0.695 -1.390 -2.833 157 HA CYS 22 HA CYS 22 1.148 -1.240 -0.048 158 HB2 CYS 22 2HB CYS 22 -0.595 -2.998 0.074 159 HB3 CYS 22 1HB CYS 22 -1.100 -1.381 -0.435 160 H SER 23 H SER 23 1.915 -2.563 1.261 161 HA SER 23 HA SER 23 4.018 -4.296 0.363 162 HB2 SER 23 2HB SER 23 4.350 -2.776 2.260 163 HB3 SER 23 1HB SER 23 2.963 -3.460 3.091 164 HG SER 23 HG SER 23 5.189 -4.161 3.735 165 H ARG 24 H ARG 24 4.141 -6.507 1.103 166 HA ARG 24 HA ARG 24 1.523 -7.816 1.468 167 HB2 ARG 24 2HB ARG 24 3.414 -8.353 -0.306 168 HB3 ARG 24 1HB ARG 24 4.041 -9.290 1.056 169 HG2 ARG 24 2HG ARG 24 1.395 -9.660 -0.376 170 HG3 ARG 24 1HG ARG 24 2.774 -10.751 -0.406 171 HD2 ARG 24 2HD ARG 24 1.049 -10.093 1.973 172 HD3 ARG 24 1HD ARG 24 0.948 -11.558 0.999 173 HE ARG 24 HE ARG 24 3.549 -11.149 2.089 174 HH11 ARG 24 1HH1 ARG 24 0.337 -12.472 2.760 175 HH12 ARG 24 2HH1 ARG 24 0.843 -13.398 4.092 176 HH21 ARG 24 1HH2 ARG 24 4.239 -12.365 3.893 177 HH22 ARG 24 2HH2 ARG 24 3.154 -13.340 4.781 178 H ARG 25 H ARG 25 4.742 -7.288 2.679 179 HA ARG 25 HA ARG 25 4.861 -9.078 4.807 180 HB2 ARG 25 2HB ARG 25 6.722 -7.740 3.859 181 HB3 ARG 25 1HB ARG 25 5.987 -6.299 4.537 182 HG2 ARG 25 2HG ARG 25 6.242 -7.269 6.759 183 HG3 ARG 25 1HG ARG 25 7.128 -8.617 6.007 184 HD2 ARG 25 2HD ARG 25 8.681 -6.913 6.869 185 HD3 ARG 25 1HD ARG 25 8.765 -7.039 5.112 186 HE ARG 25 HE ARG 25 6.907 -5.027 5.981 187 HH11 ARG 25 1HH1 ARG 25 10.309 -5.565 5.221 188 HH12 ARG 25 2HH1 ARG 25 10.652 -3.911 5.017 189 HH21 ARG 25 1HH2 ARG 25 7.304 -2.905 5.672 190 HH22 ARG 25 2HH2 ARG 25 8.870 -2.301 5.312 191 H ASP 26 H ASP 26 3.946 -5.697 4.615 192 HA ASP 26 HA ASP 26 2.834 -5.687 7.293 193 HB2 ASP 26 2HB ASP 26 3.109 -3.495 5.264 194 HB3 ASP 26 1HB ASP 26 2.677 -3.340 6.946 195 H ARG 27 H ARG 27 1.855 -5.807 3.936 196 HA ARG 27 HA ARG 27 0.079 -5.453 2.787 197 HB2 ARG 27 2HB ARG 27 -1.433 -6.501 5.175 198 HB3 ARG 27 1HB ARG 27 -1.871 -6.490 3.451 199 HG2 ARG 27 2HG ARG 27 -0.016 -7.935 2.954 200 HG3 ARG 27 1HG ARG 27 0.360 -8.029 4.674 201 HD2 ARG 27 2HD ARG 27 -0.871 -9.952 4.114 202 HD3 ARG 27 1HD ARG 27 -1.946 -8.888 5.022 203 HE ARG 27 HE ARG 27 -1.967 -9.069 2.089 204 HH11 ARG 27 1HH1 ARG 27 -3.713 -8.839 5.174 205 HH12 ARG 27 2HH1 ARG 27 -5.244 -9.055 4.488 206 HH21 ARG 27 1HH2 ARG 27 -4.121 -9.437 1.133 207 HH22 ARG 27 2HH2 ARG 27 -5.479 -9.437 2.149 208 H TRP 28 H TRP 28 0.882 -3.184 4.515 209 HA TRP 28 HA TRP 28 -1.639 -1.757 4.218 210 HB2 TRP 28 2HB TRP 28 -0.539 0.163 5.349 211 HB3 TRP 28 1HB TRP 28 -0.655 -1.262 6.353 212 HD1 TRP 28 HD TRP 28 2.333 -1.155 3.954 213 HE1 TRP 28 1HE TRP 28 4.484 -0.737 5.387 214 HE3 TRP 28 3HE TRP 28 0.139 0.003 8.342 215 HZ2 TRP 28 2HZ TRP 28 5.108 0.026 8.017 216 HZ3 TRP 28 3HZ TRP 28 1.561 0.586 10.309 217 HH2 TRP 28 HH TRP 28 3.990 0.593 10.126 218 H CYS 29 H CYS 29 -1.345 0.482 3.299 219 HA CYS 29 HA CYS 29 -0.091 0.115 0.702 220 HB2 CYS 29 2HB CYS 29 -2.433 0.975 0.973 221 HB3 CYS 29 1HB CYS 29 -1.766 2.386 1.781 222 H LYS 30 H LYS 30 2.001 0.343 0.871 223 HA LYS 30 HA LYS 30 3.185 2.050 2.844 224 HB2 LYS 30 2HB LYS 30 3.884 -0.289 2.357 225 HB3 LYS 30 1HB LYS 30 4.302 0.203 0.733 226 HG2 LYS 30 2HG LYS 30 6.003 1.699 1.664 227 HG3 LYS 30 1HG LYS 30 5.605 1.092 3.282 228 HD2 LYS 30 2HD LYS 30 6.136 -1.198 2.535 229 HD3 LYS 30 1HD LYS 30 6.582 -0.569 0.950 230 HE2 LYS 30 2HE LYS 30 8.346 0.783 2.036 231 HE3 LYS 30 1HE LYS 30 7.916 0.043 3.577 232 HZ1 LYS 30 1HZ LYS 30 8.480 -2.155 2.567 233 HZ2 LYS 30 2HZ LYS 30 9.777 -1.085 2.637 234 HZ3 LYS 30 3HZ LYS 30 9.000 -1.329 1.185 235 H TYR 31 H TYR 31 4.621 3.738 2.194 236 HA TYR 31 HA TYR 31 3.860 5.110 -0.166 237 HB2 TYR 31 2HB TYR 31 4.767 6.188 1.950 238 HB3 TYR 31 1HB TYR 31 6.343 5.550 1.477 239 HD1 TYR 31 1HD TYR 31 3.634 7.833 0.411 240 HD2 TYR 31 2HD TYR 31 7.697 6.689 -0.064 241 HE1 TYR 31 1HE TYR 31 4.015 9.809 -0.975 242 HE2 TYR 31 2HE TYR 31 8.099 8.652 -1.454 243 HH TYR 31 HH TYR 31 6.788 10.137 -2.871 244 H TYR 32 H TYR 32 4.916 5.187 -2.092 245 HA TYR 32 HA TYR 32 6.667 2.966 -2.594 246 HB2 TYR 32 2HB TYR 32 4.875 3.295 -4.160 247 HB3 TYR 32 1HB TYR 32 5.365 4.975 -4.376 248 HD1 TYR 32 1HD TYR 32 6.926 1.610 -4.655 249 HD2 TYR 32 2HD TYR 32 6.411 5.462 -6.334 250 HE1 TYR 32 1HE TYR 32 8.337 0.950 -6.562 251 HE2 TYR 32 2HE TYR 32 7.808 4.842 -8.249 252 HH TYR 32 HH TYR 32 9.540 3.249 -8.774 253 H LEU 33 H LEU 33 8.639 3.174 -2.347 254 HA LEU 33 HA LEU 33 9.996 5.739 -2.621 255 HB2 LEU 33 2HB LEU 33 11.035 3.063 -1.652 256 HB3 LEU 33 1HB LEU 33 12.050 4.467 -1.855 257 HG LEU 33 HG LEU 33 11.656 4.273 0.433 258 HD11 LEU 33 1HD1 LEU 33 10.421 6.268 1.070 259 HD12 LEU 33 2HD1 LEU 33 9.794 6.387 -0.575 260 HD13 LEU 33 3HD1 LEU 33 11.525 6.533 -0.279 261 HD21 LEU 33 1HD2 LEU 33 9.797 2.719 0.434 262 HD22 LEU 33 2HD2 LEU 33 8.707 3.987 -0.122 263 HD23 LEU 33 3HD2 LEU 33 9.438 4.095 1.480 264 HN1 NH2 34 1H LEU 33 9.934 6.034 -4.768 265 HN2 NH2 34 2H LEU 33 10.755 5.040 -5.920 Start of MODEL 3 1 H1 ASP 1 1HT ASP 1 -10.275 4.450 -7.197 2 H2 ASP 1 2HT ASP 1 -11.930 4.542 -6.872 3 H3 ASP 1 3HT ASP 1 -10.996 3.257 -6.271 4 HA ASP 1 HA ASP 1 -10.616 6.082 -5.497 5 HB2 ASP 1 2HB ASP 1 -11.754 3.740 -3.943 6 HB3 ASP 1 1HB ASP 1 -11.398 5.320 -3.270 7 H CYS 2 H CYS 2 -8.986 6.269 -3.785 8 HA CYS 2 HA CYS 2 -7.377 3.871 -3.714 9 HB2 CYS 2 2HB CYS 2 -5.338 5.149 -3.699 10 HB3 CYS 2 1HB CYS 2 -6.192 5.295 -5.209 11 H LEU 3 H LEU 3 -5.619 4.092 -2.075 12 HA LEU 3 HA LEU 3 -6.956 4.733 0.457 13 HB2 LEU 3 2HB LEU 3 -5.111 2.496 -0.246 14 HB3 LEU 3 1HB LEU 3 -5.738 2.801 1.361 15 HG LEU 3 HG LEU 3 -7.340 1.949 -1.058 16 HD11 LEU 3 1HD1 LEU 3 -5.983 0.170 -0.123 17 HD12 LEU 3 2HD1 LEU 3 -7.692 -0.111 0.204 18 HD13 LEU 3 3HD1 LEU 3 -6.639 0.490 1.482 19 HD21 LEU 3 1HD2 LEU 3 -9.232 1.760 0.502 20 HD22 LEU 3 2HD2 LEU 3 -8.669 3.422 0.351 21 HD23 LEU 3 3HD2 LEU 3 -8.240 2.471 1.776 22 H GLY 4 H GLY 4 -5.493 5.249 2.216 23 HA2 GLY 4 2HA GLY 4 -3.035 6.227 1.195 24 HA3 GLY 4 1HA GLY 4 -3.815 6.790 2.693 25 H TRP 5 H TRP 5 -1.855 6.298 3.758 26 HA TRP 5 HA TRP 5 -0.383 4.013 3.394 27 HB2 TRP 5 2HB TRP 5 0.424 6.196 4.391 28 HB3 TRP 5 1HB TRP 5 -0.254 5.622 5.908 29 HD1 TRP 5 HD TRP 5 0.733 2.677 6.014 30 HE1 TRP 5 1HE TRP 5 3.211 2.087 6.185 31 HE3 TRP 5 3HE TRP 5 2.666 7.047 4.290 32 HZ2 TRP 5 2HZ TRP 5 5.679 3.337 5.671 33 HZ3 TRP 5 3HZ TRP 5 5.100 7.288 4.171 34 HH2 TRP 5 HH TRP 5 6.581 5.468 4.846 35 H PHE 6 H PHE 6 -2.046 4.734 6.282 36 HA PHE 6 HA PHE 6 -1.716 1.972 7.144 37 HB2 PHE 6 2HB PHE 6 -2.796 4.426 8.493 38 HB3 PHE 6 1HB PHE 6 -2.853 2.841 9.286 39 HD1 PHE 6 1HD PHE 6 -0.919 1.967 10.304 40 HD2 PHE 6 2HD PHE 6 -0.687 5.504 7.963 41 HE1 PHE 6 1HE PHE 6 1.343 2.386 11.157 42 HE2 PHE 6 2HE PHE 6 1.573 5.920 8.805 43 HZ PHE 6 HZ PHE 6 2.582 4.364 10.405 44 H LYS 7 H LYS 7 -3.304 2.148 4.997 45 HA LYS 7 HA LYS 7 -5.837 1.152 6.077 46 HB2 LYS 7 2HB LYS 7 -5.160 2.067 3.291 47 HB3 LYS 7 1HB LYS 7 -6.680 1.380 3.782 48 HG2 LYS 7 2HG LYS 7 -5.596 3.968 4.891 49 HG3 LYS 7 1HG LYS 7 -6.769 3.862 3.574 50 HD2 LYS 7 2HD LYS 7 -8.335 2.714 5.060 51 HD3 LYS 7 1HD LYS 7 -7.165 2.786 6.372 52 HE2 LYS 7 2HE LYS 7 -8.865 4.531 6.604 53 HE3 LYS 7 1HE LYS 7 -7.270 5.225 6.353 54 HZ1 LYS 7 1HZ LYS 7 -9.331 4.915 4.227 55 HZ2 LYS 7 2HZ LYS 7 -7.834 5.675 4.067 56 HZ3 LYS 7 3HZ LYS 7 -8.999 6.331 5.058 57 H SER 8 H SER 8 -6.459 -0.920 5.219 58 HA SER 8 HA SER 8 -4.205 -2.565 4.821 59 HB2 SER 8 2HB SER 8 -7.041 -3.322 4.619 60 HB3 SER 8 1HB SER 8 -5.667 -4.207 5.246 61 HG SER 8 HG SER 8 -5.635 -2.298 6.862 62 H CYS 9 H CYS 9 -3.630 -3.272 2.918 63 HA CYS 9 HA CYS 9 -5.471 -3.220 0.675 64 HB2 CYS 9 2HB CYS 9 -4.335 -1.179 0.484 65 HB3 CYS 9 1HB CYS 9 -2.761 -1.982 0.692 66 H ASP 10 H ASP 10 -4.379 -4.290 -1.119 67 HA ASP 10 HA ASP 10 -2.639 -6.427 -0.171 68 HB2 ASP 10 2HB ASP 10 -5.070 -7.179 -0.141 69 HB3 ASP 10 1HB ASP 10 -5.026 -7.044 -1.892 70 HA PRO 11 HA PRO 11 -0.362 -5.225 -3.786 71 HB2 PRO 11 2HB PRO 11 0.763 -7.764 -4.179 72 HB3 PRO 11 1HB PRO 11 1.460 -6.470 -3.193 73 HG2 PRO 11 2HG PRO 11 -0.216 -8.817 -2.328 74 HG3 PRO 11 1HG PRO 11 1.147 -8.078 -1.501 75 HD2 PRO 11 2HD PRO 11 -1.264 -7.664 -0.692 76 HD3 PRO 11 1HD PRO 11 -0.116 -6.304 -0.736 77 H LYS 12 H LYS 12 -2.363 -8.047 -3.758 78 HA LYS 12 HA LYS 12 -2.333 -8.432 -6.627 79 HB2 LYS 12 2HB LYS 12 -3.905 -9.703 -4.410 80 HB3 LYS 12 1HB LYS 12 -3.979 -10.189 -6.090 81 HG2 LYS 12 2HG LYS 12 -1.797 -11.053 -6.063 82 HG3 LYS 12 1HG LYS 12 -1.386 -10.198 -4.574 83 HD2 LYS 12 2HD LYS 12 -1.773 -12.639 -4.254 84 HD3 LYS 12 1HD LYS 12 -2.833 -11.612 -3.298 85 HE2 LYS 12 2HE LYS 12 -4.589 -11.929 -5.044 86 HE3 LYS 12 1HE LYS 12 -3.512 -13.068 -5.854 87 HZ1 LYS 12 1HZ LYS 12 -5.134 -14.182 -4.426 88 HZ2 LYS 12 2HZ LYS 12 -4.537 -13.346 -3.089 89 HZ3 LYS 12 3HZ LYS 12 -3.564 -14.448 -3.879 90 H ASN 13 H ASN 13 -3.964 -6.512 -4.450 91 HA ASN 13 HA ASN 13 -6.277 -6.158 -6.247 92 HB2 ASN 13 2HB ASN 13 -6.644 -7.829 -4.317 93 HB3 ASN 13 1HB ASN 13 -6.541 -6.442 -3.251 94 HD21 ASN 13 1HD2 ASN 13 -8.620 -6.790 -2.528 95 HD22 ASN 13 2HD2 ASN 13 -10.024 -6.464 -3.476 96 H ASP 14 H ASP 14 -4.096 -4.697 -6.049 97 HA ASP 14 HA ASP 14 -3.640 -2.720 -4.200 98 HB2 ASP 14 2HB ASP 14 -2.035 -3.013 -5.857 99 HB3 ASP 14 1HB ASP 14 -3.192 -2.694 -7.152 100 H LYS 15 H LYS 15 -4.396 -0.902 -3.597 101 HA LYS 15 HA LYS 15 -6.328 0.558 -5.211 102 HB2 LYS 15 2HB LYS 15 -6.502 -0.181 -2.314 103 HB3 LYS 15 1HB LYS 15 -7.473 1.055 -3.082 104 HG2 LYS 15 2HG LYS 15 -8.473 -0.637 -4.526 105 HG3 LYS 15 1HG LYS 15 -7.443 -1.867 -3.789 106 HD2 LYS 15 2HD LYS 15 -8.482 -1.390 -1.607 107 HD3 LYS 15 1HD LYS 15 -9.550 -0.223 -2.391 108 HE2 LYS 15 2HE LYS 15 -10.658 -2.375 -2.077 109 HE3 LYS 15 1HE LYS 15 -10.467 -1.988 -3.786 110 HZ1 LYS 15 1HZ LYS 15 -8.526 -3.435 -3.858 111 HZ2 LYS 15 2HZ LYS 15 -9.901 -4.259 -3.381 112 HZ3 LYS 15 3HZ LYS 15 -8.736 -3.826 -2.225 113 H CYS 16 H CYS 16 -3.323 0.784 -4.300 114 HA CYS 16 HA CYS 16 -3.396 2.926 -2.440 115 HB2 CYS 16 2HB CYS 16 -1.230 1.617 -3.981 116 HB3 CYS 16 1HB CYS 16 -0.943 3.142 -3.137 117 H CYS 17 H CYS 17 -2.879 5.109 -2.650 118 HA CYS 17 HA CYS 17 -3.608 6.305 -5.037 119 HB2 CYS 17 2HB CYS 17 -2.331 7.299 -2.485 120 HB3 CYS 17 1HB CYS 17 -2.835 8.345 -3.788 121 H LYS 18 H LYS 18 -1.930 8.150 -5.635 122 HA LYS 18 HA LYS 18 0.224 6.811 -6.858 123 HB2 LYS 18 2HB LYS 18 -0.924 8.667 -7.952 124 HB3 LYS 18 1HB LYS 18 -0.480 9.733 -6.634 125 HG2 LYS 18 2HG LYS 18 0.921 10.167 -8.500 126 HG3 LYS 18 1HG LYS 18 1.824 9.443 -7.153 127 HD2 LYS 18 2HD LYS 18 2.579 8.439 -9.250 128 HD3 LYS 18 1HD LYS 18 1.727 7.238 -8.289 129 HE2 LYS 18 2HE LYS 18 1.045 7.008 -10.578 130 HE3 LYS 18 1HE LYS 18 -0.312 7.684 -9.685 131 HZ1 LYS 18 1HZ LYS 18 1.599 9.214 -11.365 132 HZ2 LYS 18 2HZ LYS 18 0.324 9.896 -10.536 133 HZ3 LYS 18 3HZ LYS 18 0.024 8.818 -11.799 134 H ASN 19 H ASN 19 2.346 6.814 -6.317 135 HA ASN 19 HA ASN 19 4.306 7.164 -5.272 136 HB2 ASN 19 2HB ASN 19 3.750 9.542 -5.208 137 HB3 ASN 19 1HB ASN 19 2.847 9.330 -3.730 138 HD21 ASN 19 1HD2 ASN 19 3.907 9.299 -1.819 139 HD22 ASN 19 2HD2 ASN 19 5.587 9.599 -1.626 140 H TYR 20 H TYR 20 1.766 5.825 -4.240 141 HA TYR 20 HA TYR 20 3.005 4.657 -1.843 142 HB2 TYR 20 2HB TYR 20 0.106 4.946 -2.573 143 HB3 TYR 20 1HB TYR 20 0.698 3.953 -1.273 144 HD1 TYR 20 1HD TYR 20 0.041 7.371 -2.379 145 HD2 TYR 20 2HD TYR 20 1.457 4.957 0.820 146 HE1 TYR 20 1HE TYR 20 -0.239 9.253 -0.846 147 HE2 TYR 20 2HE TYR 20 1.203 6.831 2.365 148 HH TYR 20 HH TYR 20 1.045 9.281 2.331 149 H THR 21 H THR 21 2.424 2.372 -1.607 150 HA THR 21 HA THR 21 1.294 0.845 -3.774 151 HB THR 21 HB THR 21 4.091 0.233 -2.944 152 HG1 THR 21 1HG THR 21 3.247 2.103 -4.705 153 HG21 THR 21 1HG2 THR 21 2.455 -0.719 -5.291 154 HG22 THR 21 2HG2 THR 21 2.856 -1.624 -3.830 155 HG23 THR 21 3HG2 THR 21 4.126 -1.194 -4.976 156 H CYS 22 H CYS 22 0.523 -1.119 -2.767 157 HA CYS 22 HA CYS 22 1.027 -1.005 0.007 158 HB2 CYS 22 2HB CYS 22 -0.820 -2.634 0.177 159 HB3 CYS 22 1HB CYS 22 -1.262 -0.989 -0.298 160 H SER 23 H SER 23 1.864 -2.321 1.210 161 HA SER 23 HA SER 23 3.783 -4.121 0.141 162 HB2 SER 23 2HB SER 23 4.292 -2.658 2.009 163 HB3 SER 23 1HB SER 23 2.964 -3.328 2.941 164 HG SER 23 HG SER 23 5.215 -4.095 3.383 165 H ARG 24 H ARG 24 3.969 -6.304 0.925 166 HA ARG 24 HA ARG 24 1.395 -7.666 1.349 167 HB2 ARG 24 2HB ARG 24 2.784 -8.289 -0.616 168 HB3 ARG 24 1HB ARG 24 4.040 -8.719 0.519 169 HG2 ARG 24 2HG ARG 24 2.838 -10.704 -0.321 170 HG3 ARG 24 1HG ARG 24 2.762 -10.524 1.425 171 HD2 ARG 24 2HD ARG 24 0.468 -9.712 1.288 172 HD3 ARG 24 1HD ARG 24 0.541 -9.688 -0.470 173 HE ARG 24 HE ARG 24 1.192 -12.228 0.600 174 HH11 ARG 24 1HH1 ARG 24 -1.803 -10.294 -0.160 175 HH12 ARG 24 2HH1 ARG 24 -2.624 -11.678 -0.594 176 HH21 ARG 24 1HH2 ARG 24 -0.076 -14.012 -0.030 177 HH22 ARG 24 2HH2 ARG 24 -1.698 -13.813 -0.523 178 H ARG 25 H ARG 25 4.642 -7.185 2.503 179 HA ARG 25 HA ARG 25 4.678 -9.037 4.622 180 HB2 ARG 25 2HB ARG 25 6.645 -7.937 3.656 181 HB3 ARG 25 1HB ARG 25 6.043 -6.388 4.213 182 HG2 ARG 25 2HG ARG 25 6.172 -7.226 6.509 183 HG3 ARG 25 1HG ARG 25 6.968 -8.676 5.859 184 HD2 ARG 25 2HD ARG 25 8.612 -7.022 6.660 185 HD3 ARG 25 1HD ARG 25 8.741 -7.299 4.922 186 HE ARG 25 HE ARG 25 7.008 -5.112 5.436 187 HH11 ARG 25 1HH1 ARG 25 10.449 -5.867 5.586 188 HH12 ARG 25 2HH1 ARG 25 10.943 -4.305 5.143 189 HH21 ARG 25 1HH2 ARG 25 7.597 -3.070 4.917 190 HH22 ARG 25 2HH2 ARG 25 9.260 -2.620 4.722 191 H ASP 26 H ASP 26 4.059 -5.608 4.325 192 HA ASP 26 HA ASP 26 3.118 -5.423 7.049 193 HB2 ASP 26 2HB ASP 26 3.297 -3.223 4.993 194 HB3 ASP 26 1HB ASP 26 3.192 -3.114 6.724 195 H ARG 27 H ARG 27 1.881 -5.610 3.752 196 HA ARG 27 HA ARG 27 0.030 -5.162 2.755 197 HB2 ARG 27 2HB ARG 27 -1.122 -6.445 5.234 198 HB3 ARG 27 1HB ARG 27 -1.943 -6.108 3.701 199 HG2 ARG 27 2HG ARG 27 -0.530 -7.571 2.504 200 HG3 ARG 27 1HG ARG 27 0.458 -7.865 3.938 201 HD2 ARG 27 2HD ARG 27 -1.459 -8.858 5.058 202 HD3 ARG 27 1HD ARG 27 -2.460 -8.524 3.661 203 HE ARG 27 HE ARG 27 -0.209 -10.106 2.974 204 HH11 ARG 27 1HH1 ARG 27 -3.531 -10.218 4.240 205 HH12 ARG 27 2HH1 ARG 27 -3.696 -11.902 4.120 206 HH21 ARG 27 1HH2 ARG 27 -0.441 -12.457 2.843 207 HH22 ARG 27 2HH2 ARG 27 -1.887 -13.223 3.321 208 H TRP 28 H TRP 28 0.921 -2.931 4.483 209 HA TRP 28 HA TRP 28 -1.621 -1.489 4.313 210 HB2 TRP 28 2HB TRP 28 -0.489 0.380 5.495 211 HB3 TRP 28 1HB TRP 28 -0.572 -1.081 6.451 212 HD1 TRP 28 HD TRP 28 2.306 -0.672 3.927 213 HE1 TRP 28 1HE TRP 28 4.507 -0.371 5.298 214 HE3 TRP 28 3HE TRP 28 0.302 -0.184 8.522 215 HZ2 TRP 28 2HZ TRP 28 5.243 0.045 7.966 216 HZ3 TRP 28 3HZ TRP 28 1.801 0.174 10.472 217 HH2 TRP 28 HH TRP 28 4.219 0.286 10.182 218 H CYS 29 H CYS 29 -1.113 0.887 3.532 219 HA CYS 29 HA CYS 29 0.013 0.469 0.889 220 HB2 CYS 29 2HB CYS 29 -2.243 1.488 1.258 221 HB3 CYS 29 1HB CYS 29 -1.451 2.844 2.039 222 H LYS 30 H LYS 30 2.100 0.538 0.982 223 HA LYS 30 HA LYS 30 3.579 2.031 2.916 224 HB2 LYS 30 2HB LYS 30 3.945 -0.337 2.220 225 HB3 LYS 30 1HB LYS 30 4.379 0.236 0.630 226 HG2 LYS 30 2HG LYS 30 6.313 1.343 1.548 227 HG3 LYS 30 1HG LYS 30 5.854 0.814 3.179 228 HD2 LYS 30 2HD LYS 30 5.931 -1.544 2.366 229 HD3 LYS 30 1HD LYS 30 6.556 -0.955 0.828 230 HE2 LYS 30 2HE LYS 30 7.874 -0.635 3.519 231 HE3 LYS 30 1HE LYS 30 8.296 -1.832 2.308 232 HZ1 LYS 30 1HZ LYS 30 8.501 1.106 1.952 233 HZ2 LYS 30 2HZ LYS 30 8.981 -0.058 0.835 234 HZ3 LYS 30 3HZ LYS 30 9.765 0.076 2.315 235 H TYR 31 H TYR 31 5.202 3.533 2.294 236 HA TYR 31 HA TYR 31 4.504 5.332 0.178 237 HB2 TYR 31 2HB TYR 31 5.622 5.797 2.479 238 HB3 TYR 31 1HB TYR 31 7.082 5.227 1.683 239 HD1 TYR 31 1HD TYR 31 8.157 6.574 -0.070 240 HD2 TYR 31 2HD TYR 31 4.715 7.967 2.002 241 HE1 TYR 31 1HE TYR 31 8.620 8.851 -0.835 242 HE2 TYR 31 2HE TYR 31 5.164 10.240 1.244 243 HH TYR 31 HH TYR 31 7.100 11.573 0.459 244 H TYR 32 H TYR 32 5.300 5.258 -1.866 245 HA TYR 32 HA TYR 32 7.201 3.163 -2.487 246 HB2 TYR 32 2HB TYR 32 5.177 3.238 -3.816 247 HB3 TYR 32 1HB TYR 32 5.522 4.916 -4.248 248 HD1 TYR 32 1HD TYR 32 6.889 1.496 -4.531 249 HD2 TYR 32 2HD TYR 32 6.725 5.391 -6.167 250 HE1 TYR 32 1HE TYR 32 8.166 0.714 -6.485 251 HE2 TYR 32 2HE TYR 32 7.991 4.654 -8.126 252 HH TYR 32 HH TYR 32 8.419 1.512 -8.963 253 H LEU 33 H LEU 33 9.206 3.558 -2.717 254 HA LEU 33 HA LEU 33 10.132 6.253 -3.395 255 HB2 LEU 33 2HB LEU 33 11.536 4.008 -1.940 256 HB3 LEU 33 1HB LEU 33 12.334 5.476 -2.454 257 HG LEU 33 HG LEU 33 10.042 5.380 -0.488 258 HD11 LEU 33 1HD1 LEU 33 11.741 5.841 1.204 259 HD12 LEU 33 2HD1 LEU 33 13.002 5.697 -0.020 260 HD13 LEU 33 3HD1 LEU 33 12.030 4.292 0.412 261 HD21 LEU 33 1HD2 LEU 33 11.921 7.607 -1.282 262 HD22 LEU 33 2HD2 LEU 33 10.699 7.690 -0.015 263 HD23 LEU 33 3HD2 LEU 33 10.209 7.497 -1.695 264 HN1 NH2 34 1H LEU 33 11.913 3.259 -3.637 265 HN2 NH2 34 2H LEU 33 12.125 3.285 -5.348 Start of MODEL 4 1 H1 ASP 1 1HT ASP 1 -11.458 6.020 -6.038 2 H2 ASP 1 2HT ASP 1 -12.878 6.550 -5.252 3 H3 ASP 1 3HT ASP 1 -12.300 4.965 -5.042 4 HA ASP 1 HA ASP 1 -10.829 7.347 -4.201 5 HB2 ASP 1 2HB ASP 1 -12.460 5.365 -2.589 6 HB3 ASP 1 1HB ASP 1 -11.419 6.611 -1.909 7 H CYS 2 H CYS 2 -9.020 6.724 -2.864 8 HA CYS 2 HA CYS 2 -8.124 4.036 -3.533 9 HB2 CYS 2 2HB CYS 2 -5.804 5.018 -3.562 10 HB3 CYS 2 1HB CYS 2 -6.813 5.451 -4.916 11 H LEU 3 H LEU 3 -5.976 3.761 -2.138 12 HA LEU 3 HA LEU 3 -6.896 4.083 0.613 13 HB2 LEU 3 2HB LEU 3 -5.193 1.957 -0.634 14 HB3 LEU 3 1HB LEU 3 -5.582 2.052 1.068 15 HG LEU 3 HG LEU 3 -7.521 1.510 -1.188 16 HD11 LEU 3 1HD1 LEU 3 -6.551 -0.236 1.061 17 HD12 LEU 3 2HD1 LEU 3 -6.059 -0.361 -0.623 18 HD13 LEU 3 3HD1 LEU 3 -7.735 -0.682 -0.167 19 HD21 LEU 3 1HD2 LEU 3 -8.029 1.704 1.787 20 HD22 LEU 3 2HD2 LEU 3 -9.188 1.148 0.582 21 HD23 LEU 3 3HD2 LEU 3 -8.625 2.817 0.552 22 H GLY 4 H GLY 4 -5.513 5.031 2.015 23 HA2 GLY 4 2HA GLY 4 -3.052 5.842 0.869 24 HA3 GLY 4 1HA GLY 4 -3.747 6.511 2.354 25 H TRP 5 H TRP 5 -1.854 6.074 3.515 26 HA TRP 5 HA TRP 5 -0.303 3.844 3.160 27 HB2 TRP 5 2HB TRP 5 0.469 6.040 4.167 28 HB3 TRP 5 1HB TRP 5 -0.220 5.461 5.676 29 HD1 TRP 5 HD TRP 5 0.801 2.517 5.784 30 HE1 TRP 5 1HE TRP 5 3.269 1.929 5.998 31 HE3 TRP 5 3HE TRP 5 2.784 6.901 4.140 32 HZ2 TRP 5 2HZ TRP 5 5.761 3.176 5.557 33 HZ3 TRP 5 3HZ TRP 5 5.234 7.128 4.078 34 HH2 TRP 5 HH TRP 5 6.683 5.285 4.776 35 H PHE 6 H PHE 6 -2.067 4.521 5.996 36 HA PHE 6 HA PHE 6 -1.522 1.799 6.943 37 HB2 PHE 6 2HB PHE 6 -2.873 4.148 8.242 38 HB3 PHE 6 1HB PHE 6 -2.437 2.650 9.108 39 HD1 PHE 6 1HD PHE 6 0.092 2.094 9.039 40 HD2 PHE 6 2HD PHE 6 -1.530 5.932 8.207 41 HE1 PHE 6 1HE PHE 6 2.263 3.111 9.514 42 HE2 PHE 6 2HE PHE 6 0.638 6.958 8.676 43 HZ PHE 6 HZ PHE 6 2.538 5.549 9.332 44 H LYS 7 H LYS 7 -3.301 2.169 4.783 45 HA LYS 7 HA LYS 7 -5.769 1.078 5.905 46 HB2 LYS 7 2HB LYS 7 -5.212 1.949 3.098 47 HB3 LYS 7 1HB LYS 7 -6.763 1.562 3.782 48 HG2 LYS 7 2HG LYS 7 -5.105 3.960 4.587 49 HG3 LYS 7 1HG LYS 7 -6.521 4.003 3.538 50 HD2 LYS 7 2HD LYS 7 -7.918 3.195 5.360 51 HD3 LYS 7 1HD LYS 7 -6.506 3.063 6.406 52 HE2 LYS 7 2HE LYS 7 -7.536 5.631 5.196 53 HE3 LYS 7 1HE LYS 7 -7.859 5.093 6.839 54 HZ1 LYS 7 1HZ LYS 7 -5.439 5.188 7.272 55 HZ2 LYS 7 2HZ LYS 7 -6.089 6.662 6.822 56 HZ3 LYS 7 3HZ LYS 7 -5.193 5.812 5.707 57 H SER 8 H SER 8 -6.342 -0.993 5.228 58 HA SER 8 HA SER 8 -4.181 -2.678 4.680 59 HB2 SER 8 2HB SER 8 -7.071 -3.280 4.667 60 HB3 SER 8 1HB SER 8 -5.717 -4.304 5.099 61 HG SER 8 HG SER 8 -5.312 -3.145 6.898 62 H CYS 9 H CYS 9 -3.730 -3.557 2.842 63 HA CYS 9 HA CYS 9 -5.559 -3.354 0.590 64 HB2 CYS 9 2HB CYS 9 -4.243 -1.436 0.424 65 HB3 CYS 9 1HB CYS 9 -2.754 -2.378 0.641 66 H ASP 10 H ASP 10 -4.428 -4.473 -1.273 67 HA ASP 10 HA ASP 10 -3.228 -6.956 -0.290 68 HB2 ASP 10 2HB ASP 10 -5.624 -7.329 -0.762 69 HB3 ASP 10 1HB ASP 10 -5.376 -6.745 -2.402 70 HA PRO 11 HA PRO 11 -0.104 -5.740 -3.181 71 HB2 PRO 11 2HB PRO 11 0.858 -8.254 -3.670 72 HB3 PRO 11 1HB PRO 11 1.355 -7.254 -2.279 73 HG2 PRO 11 2HG PRO 11 -0.696 -9.440 -2.473 74 HG3 PRO 11 1HG PRO 11 0.468 -9.159 -1.174 75 HD2 PRO 11 2HD PRO 11 -2.035 -8.477 -0.882 76 HD3 PRO 11 1HD PRO 11 -0.762 -7.360 -0.321 77 H LYS 12 H LYS 12 -2.369 -8.195 -3.980 78 HA LYS 12 HA LYS 12 -1.579 -8.114 -6.797 79 HB2 LYS 12 2HB LYS 12 -3.500 -9.938 -5.364 80 HB3 LYS 12 1HB LYS 12 -2.952 -10.108 -7.028 81 HG2 LYS 12 2HG LYS 12 -0.684 -10.473 -6.266 82 HG3 LYS 12 1HG LYS 12 -1.196 -10.246 -4.595 83 HD2 LYS 12 2HD LYS 12 -2.664 -12.195 -4.797 84 HD3 LYS 12 1HD LYS 12 -2.118 -12.429 -6.458 85 HE2 LYS 12 2HE LYS 12 -0.413 -12.528 -3.973 86 HE3 LYS 12 1HE LYS 12 -0.904 -13.900 -4.964 87 HZ1 LYS 12 1HZ LYS 12 0.337 -12.929 -6.812 88 HZ2 LYS 12 2HZ LYS 12 1.317 -13.266 -5.498 89 HZ3 LYS 12 3HZ LYS 12 0.880 -11.673 -5.817 90 H ASN 13 H ASN 13 -3.620 -6.647 -4.695 91 HA ASN 13 HA ASN 13 -5.429 -5.877 -6.848 92 HB2 ASN 13 2HB ASN 13 -6.384 -7.708 -5.371 93 HB3 ASN 13 1HB ASN 13 -6.373 -6.549 -4.065 94 HD21 ASN 13 1HD2 ASN 13 -7.136 -5.636 -7.381 95 HD22 ASN 13 2HD2 ASN 13 -8.784 -5.266 -7.065 96 H ASP 14 H ASP 14 -3.357 -4.488 -6.187 97 HA ASP 14 HA ASP 14 -3.359 -2.698 -4.073 98 HB2 ASP 14 2HB ASP 14 -1.553 -3.023 -5.777 99 HB3 ASP 14 1HB ASP 14 -2.518 -2.024 -6.863 100 H LYS 15 H LYS 15 -4.434 -0.979 -3.591 101 HA LYS 15 HA LYS 15 -6.288 0.256 -5.504 102 HB2 LYS 15 2HB LYS 15 -6.685 -0.404 -2.599 103 HB3 LYS 15 1HB LYS 15 -7.789 0.525 -3.592 104 HG2 LYS 15 2HG LYS 15 -8.281 -1.406 -4.940 105 HG3 LYS 15 1HG LYS 15 -7.000 -2.328 -4.154 106 HD2 LYS 15 2HD LYS 15 -8.241 -2.078 -2.006 107 HD3 LYS 15 1HD LYS 15 -9.558 -1.333 -2.913 108 HE2 LYS 15 2HE LYS 15 -8.456 -4.094 -3.414 109 HE3 LYS 15 1HE LYS 15 -9.893 -3.743 -2.465 110 HZ1 LYS 15 1HZ LYS 15 -9.568 -3.057 -5.342 111 HZ2 LYS 15 2HZ LYS 15 -10.959 -2.864 -4.429 112 HZ3 LYS 15 3HZ LYS 15 -10.375 -4.409 -4.768 113 H CYS 16 H CYS 16 -3.516 0.810 -4.404 114 HA CYS 16 HA CYS 16 -3.758 2.851 -2.450 115 HB2 CYS 16 2HB CYS 16 -1.507 1.783 -4.074 116 HB3 CYS 16 1HB CYS 16 -1.324 3.170 -3.007 117 H CYS 17 H CYS 17 -3.126 5.024 -2.596 118 HA CYS 17 HA CYS 17 -3.948 6.377 -4.877 119 HB2 CYS 17 2HB CYS 17 -2.489 7.249 -2.380 120 HB3 CYS 17 1HB CYS 17 -3.275 8.300 -3.543 121 H LYS 18 H LYS 18 -2.287 8.249 -5.364 122 HA LYS 18 HA LYS 18 -0.100 7.146 -6.799 123 HB2 LYS 18 2HB LYS 18 -1.312 9.196 -7.476 124 HB3 LYS 18 1HB LYS 18 -0.659 10.013 -6.061 125 HG2 LYS 18 2HG LYS 18 1.570 9.625 -6.853 126 HG3 LYS 18 1HG LYS 18 0.906 8.804 -8.273 127 HD2 LYS 18 2HD LYS 18 -0.174 10.841 -8.983 128 HD3 LYS 18 1HD LYS 18 0.399 11.674 -7.533 129 HE2 LYS 18 2HE LYS 18 2.166 10.502 -9.686 130 HE3 LYS 18 1HE LYS 18 1.773 12.211 -9.521 131 HZ1 LYS 18 1HZ LYS 18 3.282 10.577 -7.520 132 HZ2 LYS 18 2HZ LYS 18 2.848 12.188 -7.345 133 HZ3 LYS 18 3HZ LYS 18 3.929 11.753 -8.539 134 H ASN 19 H ASN 19 1.954 6.898 -6.356 135 HA ASN 19 HA ASN 19 3.928 6.925 -5.358 136 HB2 ASN 19 2HB ASN 19 2.674 9.125 -3.832 137 HB3 ASN 19 1HB ASN 19 4.268 8.522 -3.329 138 HD21 ASN 19 1HD2 ASN 19 5.379 10.393 -3.870 139 HD22 ASN 19 2HD2 ASN 19 5.546 10.950 -5.499 140 H TYR 20 H TYR 20 1.439 5.488 -4.307 141 HA TYR 20 HA TYR 20 2.855 4.328 -2.041 142 HB2 TYR 20 2HB TYR 20 -0.085 4.818 -2.340 143 HB3 TYR 20 1HB TYR 20 0.624 3.779 -1.148 144 HD1 TYR 20 1HD TYR 20 1.415 4.626 0.916 145 HD2 TYR 20 2HD TYR 20 0.458 7.333 -2.218 146 HE1 TYR 20 1HE TYR 20 1.594 6.490 2.479 147 HE2 TYR 20 2HE TYR 20 0.639 9.205 -0.669 148 HH TYR 20 HH TYR 20 1.969 8.924 2.461 149 H THR 21 H THR 21 2.276 2.114 -1.729 150 HA THR 21 HA THR 21 0.873 0.609 -3.719 151 HB THR 21 HB THR 21 3.792 0.171 -3.336 152 HG1 THR 21 1HG THR 21 2.663 1.933 -4.891 153 HG21 THR 21 1HG2 THR 21 2.609 -1.875 -3.823 154 HG22 THR 21 2HG2 THR 21 3.614 -1.445 -5.205 155 HG23 THR 21 3HG2 THR 21 1.874 -1.147 -5.253 156 H CYS 22 H CYS 22 0.278 -1.288 -2.744 157 HA CYS 22 HA CYS 22 0.952 -1.295 -0.004 158 HB2 CYS 22 2HB CYS 22 -0.794 -3.032 0.164 159 HB3 CYS 22 1HB CYS 22 -1.309 -1.391 -0.256 160 H SER 23 H SER 23 1.656 -2.709 1.250 161 HA SER 23 HA SER 23 3.645 -4.458 0.116 162 HB2 SER 23 2HB SER 23 4.319 -2.875 1.839 163 HB3 SER 23 1HB SER 23 3.032 -3.426 2.898 164 HG SER 23 HG SER 23 5.164 -4.232 3.362 165 H ARG 24 H ARG 24 3.736 -6.634 0.778 166 HA ARG 24 HA ARG 24 1.216 -7.799 1.698 167 HB2 ARG 24 2HB ARG 24 2.121 -8.675 -0.357 168 HB3 ARG 24 1HB ARG 24 3.654 -8.963 0.452 169 HG2 ARG 24 2HG ARG 24 2.263 -11.058 0.086 170 HG3 ARG 24 1HG ARG 24 2.783 -10.772 1.742 171 HD2 ARG 24 2HD ARG 24 0.554 -9.777 2.214 172 HD3 ARG 24 1HD ARG 24 0.044 -10.215 0.584 173 HE ARG 24 HE ARG 24 0.005 -12.421 1.183 174 HH11 ARG 24 1HH1 ARG 24 1.312 -10.531 3.919 175 HH12 ARG 24 2HH1 ARG 24 0.938 -11.694 5.086 176 HH21 ARG 24 1HH2 ARG 24 -0.492 -14.048 2.847 177 HH22 ARG 24 2HH2 ARG 24 -0.087 -13.732 4.470 178 H ARG 25 H ARG 25 4.482 -7.199 2.483 179 HA ARG 25 HA ARG 25 4.833 -8.996 4.617 180 HB2 ARG 25 2HB ARG 25 6.612 -7.722 3.423 181 HB3 ARG 25 1HB ARG 25 5.987 -6.257 4.156 182 HG2 ARG 25 2HG ARG 25 6.422 -7.252 6.357 183 HG3 ARG 25 1HG ARG 25 7.229 -8.588 5.505 184 HD2 ARG 25 2HD ARG 25 8.860 -6.917 6.241 185 HD3 ARG 25 1HD ARG 25 8.769 -6.997 4.478 186 HE ARG 25 HE ARG 25 6.988 -5.038 5.211 187 HH11 ARG 25 1HH1 ARG 25 10.464 -5.488 5.590 188 HH12 ARG 25 2HH1 ARG 25 10.781 -3.821 5.678 189 HH21 ARG 25 1HH2 ARG 25 7.377 -2.901 5.355 190 HH22 ARG 25 2HH2 ARG 25 8.969 -2.275 5.553 191 H ASP 26 H ASP 26 3.997 -5.584 4.383 192 HA ASP 26 HA ASP 26 3.234 -5.457 7.163 193 HB2 ASP 26 2HB ASP 26 3.122 -3.294 5.070 194 HB3 ASP 26 1HB ASP 26 3.099 -3.145 6.804 195 H ARG 27 H ARG 27 1.759 -5.850 3.996 196 HA ARG 27 HA ARG 27 -0.148 -5.642 3.107 197 HB2 ARG 27 2HB ARG 27 -1.240 -6.383 5.801 198 HB3 ARG 27 1HB ARG 27 -2.034 -6.463 4.218 199 HG2 ARG 27 2HG ARG 27 -0.211 -8.010 3.482 200 HG3 ARG 27 1HG ARG 27 0.286 -8.104 5.169 201 HD2 ARG 27 2HD ARG 27 -1.118 -9.970 4.721 202 HD3 ARG 27 1HD ARG 27 -2.030 -8.833 5.718 203 HE ARG 27 HE ARG 27 -2.357 -9.051 2.788 204 HH11 ARG 27 1HH1 ARG 27 -3.778 -8.659 6.009 205 HH12 ARG 27 2HH1 ARG 27 -5.366 -8.556 5.418 206 HH21 ARG 27 1HH2 ARG 27 -4.537 -8.956 2.022 207 HH22 ARG 27 2HH2 ARG 27 -5.816 -8.762 3.128 208 H TRP 28 H TRP 28 0.821 -3.191 4.598 209 HA TRP 28 HA TRP 28 -1.702 -1.780 4.249 210 HB2 TRP 28 2HB TRP 28 -0.694 0.137 5.414 211 HB3 TRP 28 1HB TRP 28 -0.762 -1.289 6.419 212 HD1 TRP 28 HD TRP 28 2.226 -0.792 4.032 213 HE1 TRP 28 1HE TRP 28 4.341 -0.320 5.504 214 HE3 TRP 28 3HE TRP 28 -0.039 -0.338 8.508 215 HZ2 TRP 28 2HZ TRP 28 4.899 0.206 8.213 216 HZ3 TRP 28 3HZ TRP 28 1.325 0.166 10.529 217 HH2 TRP 28 HH TRP 28 3.741 0.427 10.362 218 H CYS 29 H CYS 29 -1.232 0.507 3.375 219 HA CYS 29 HA CYS 29 0.027 0.067 0.811 220 HB2 CYS 29 2HB CYS 29 -2.242 0.991 1.007 221 HB3 CYS 29 1HB CYS 29 -1.585 2.353 1.903 222 H LYS 30 H LYS 30 2.142 0.300 0.905 223 HA LYS 30 HA LYS 30 3.342 2.017 2.884 224 HB2 LYS 30 2HB LYS 30 3.889 -0.406 2.471 225 HB3 LYS 30 1HB LYS 30 4.503 0.066 0.905 226 HG2 LYS 30 2HG LYS 30 6.207 1.407 1.975 227 HG3 LYS 30 1HG LYS 30 5.550 0.950 3.560 228 HD2 LYS 30 2HD LYS 30 5.977 -1.398 3.101 229 HD3 LYS 30 1HD LYS 30 6.584 -1.004 1.498 230 HE2 LYS 30 2HE LYS 30 7.807 -0.215 4.138 231 HE3 LYS 30 1HE LYS 30 8.397 -1.447 3.038 232 HZ1 LYS 30 1HZ LYS 30 8.302 1.475 2.495 233 HZ2 LYS 30 2HZ LYS 30 8.765 0.305 1.375 234 HZ3 LYS 30 3HZ LYS 30 9.660 0.529 2.779 235 H TYR 31 H TYR 31 4.731 3.742 2.247 236 HA TYR 31 HA TYR 31 4.099 5.079 -0.141 237 HB2 TYR 31 2HB TYR 31 5.044 6.211 1.886 238 HB3 TYR 31 1HB TYR 31 6.587 5.425 1.513 239 HD1 TYR 31 1HD TYR 31 8.096 6.385 -0.013 240 HD2 TYR 31 2HD TYR 31 4.115 7.854 0.185 241 HE1 TYR 31 1HE TYR 31 8.711 8.215 -1.521 242 HE2 TYR 31 2HE TYR 31 4.711 9.697 -1.321 243 HH TYR 31 HH TYR 31 7.653 9.724 -3.082 244 H TYR 32 H TYR 32 4.924 4.982 -2.088 245 HA TYR 32 HA TYR 32 6.866 2.900 -2.600 246 HB2 TYR 32 2HB TYR 32 4.707 2.934 -3.785 247 HB3 TYR 32 1HB TYR 32 5.143 4.482 -4.504 248 HD1 TYR 32 1HD TYR 32 5.904 0.939 -4.334 249 HD2 TYR 32 2HD TYR 32 6.647 4.565 -6.346 250 HE1 TYR 32 1HE TYR 32 6.973 -0.323 -6.146 251 HE2 TYR 32 2HE TYR 32 7.731 3.341 -8.193 252 HH TYR 32 HH TYR 32 7.439 0.015 -8.571 253 H LEU 33 H LEU 33 8.831 3.396 -3.094 254 HA LEU 33 HA LEU 33 9.628 6.174 -3.219 255 HB2 LEU 33 2HB LEU 33 11.269 3.644 -3.324 256 HB3 LEU 33 1HB LEU 33 11.909 5.272 -3.247 257 HG LEU 33 HG LEU 33 10.268 3.962 -1.084 258 HD11 LEU 33 1HD1 LEU 33 12.449 2.923 -1.327 259 HD12 LEU 33 2HD1 LEU 33 12.377 3.902 0.140 260 HD13 LEU 33 3HD1 LEU 33 13.222 4.508 -1.281 261 HD21 LEU 33 1HD2 LEU 33 10.018 6.394 -1.121 262 HD22 LEU 33 2HD2 LEU 33 11.771 6.580 -1.135 263 HD23 LEU 33 3HD2 LEU 33 10.972 5.881 0.269 264 HN1 NH2 34 1H LEU 33 8.730 6.742 -5.164 265 HN2 NH2 34 2H LEU 33 9.355 6.223 -6.696 Start of MODEL 5 1 H1 ASP 1 1HT ASP 1 -13.135 5.348 -4.342 2 H2 ASP 1 2HT ASP 1 -12.297 4.664 -3.031 3 H3 ASP 1 3HT ASP 1 -12.086 4.037 -4.561 4 HA ASP 1 HA ASP 1 -10.996 5.992 -5.307 5 HB2 ASP 1 2HB ASP 1 -11.454 6.891 -2.454 6 HB3 ASP 1 1HB ASP 1 -10.253 7.632 -3.493 7 H CYS 2 H CYS 2 -8.724 6.703 -4.029 8 HA CYS 2 HA CYS 2 -7.447 4.177 -3.839 9 HB2 CYS 2 2HB CYS 2 -5.441 5.490 -3.440 10 HB3 CYS 2 1HB CYS 2 -6.256 5.911 -4.924 11 H LEU 3 H LEU 3 -5.772 3.982 -2.155 12 HA LEU 3 HA LEU 3 -6.955 4.425 0.487 13 HB2 LEU 3 2HB LEU 3 -5.276 2.106 -0.483 14 HB3 LEU 3 1HB LEU 3 -5.852 2.328 1.154 15 HG LEU 3 HG LEU 3 -7.592 1.850 -1.261 16 HD11 LEU 3 1HD1 LEU 3 -6.310 -0.109 -0.636 17 HD12 LEU 3 2HD1 LEU 3 -8.014 -0.329 -0.235 18 HD13 LEU 3 3HD1 LEU 3 -6.850 0.047 1.037 19 HD21 LEU 3 1HD2 LEU 3 -9.400 1.577 0.384 20 HD22 LEU 3 2HD2 LEU 3 -8.736 3.208 0.397 21 HD23 LEU 3 3HD2 LEU 3 -8.292 2.066 1.667 22 H GLY 4 H GLY 4 -5.502 5.042 2.118 23 HA2 GLY 4 2HA GLY 4 -3.086 6.068 1.030 24 HA3 GLY 4 1HA GLY 4 -3.850 6.578 2.548 25 H TRP 5 H TRP 5 -1.828 6.268 3.477 26 HA TRP 5 HA TRP 5 -0.119 4.171 3.124 27 HB2 TRP 5 2HB TRP 5 0.389 6.439 4.116 28 HB3 TRP 5 1HB TRP 5 -0.250 5.810 5.624 29 HD1 TRP 5 HD TRP 5 1.208 3.000 5.713 30 HE1 TRP 5 1HE TRP 5 3.757 2.874 6.091 31 HE3 TRP 5 3HE TRP 5 2.454 7.721 4.236 32 HZ2 TRP 5 2HZ TRP 5 6.000 4.582 5.809 33 HZ3 TRP 5 3HZ TRP 5 4.818 8.406 4.328 34 HH2 TRP 5 HH TRP 5 6.552 6.862 5.103 35 H PHE 6 H PHE 6 -2.075 4.678 5.865 36 HA PHE 6 HA PHE 6 -1.384 2.002 6.869 37 HB2 PHE 6 2HB PHE 6 -2.990 4.217 8.107 38 HB3 PHE 6 1HB PHE 6 -2.504 2.732 8.954 39 HD1 PHE 6 1HD PHE 6 -1.717 6.080 8.079 40 HD2 PHE 6 2HD PHE 6 -0.001 2.368 9.214 41 HE1 PHE 6 1HE PHE 6 0.325 7.231 8.755 42 HE2 PHE 6 2HE PHE 6 2.044 3.516 9.895 43 HZ PHE 6 HZ PHE 6 2.207 5.953 9.669 44 H LYS 7 H LYS 7 -3.228 2.509 4.609 45 HA LYS 7 HA LYS 7 -5.530 1.104 5.715 46 HB2 LYS 7 2HB LYS 7 -5.052 2.067 2.939 47 HB3 LYS 7 1HB LYS 7 -6.528 1.354 3.524 48 HG2 LYS 7 2HG LYS 7 -5.419 4.002 4.468 49 HG3 LYS 7 1HG LYS 7 -6.781 3.788 3.367 50 HD2 LYS 7 2HD LYS 7 -8.018 2.610 5.129 51 HD3 LYS 7 1HD LYS 7 -6.653 2.818 6.225 52 HE2 LYS 7 2HE LYS 7 -6.887 5.233 6.069 53 HE3 LYS 7 1HE LYS 7 -8.254 5.042 4.970 54 HZ1 LYS 7 1HZ LYS 7 -8.136 4.155 7.805 55 HZ2 LYS 7 2HZ LYS 7 -9.409 3.864 6.764 56 HZ3 LYS 7 3HZ LYS 7 -9.033 5.450 7.195 57 H SER 8 H SER 8 -5.909 -0.937 5.157 58 HA SER 8 HA SER 8 -3.606 -2.376 4.346 59 HB2 SER 8 2HB SER 8 -6.207 -3.454 5.139 60 HB3 SER 8 1HB SER 8 -4.586 -4.054 5.417 61 HG SER 8 HG SER 8 -4.475 -3.039 7.231 62 H CYS 9 H CYS 9 -3.518 -3.211 2.417 63 HA CYS 9 HA CYS 9 -5.883 -4.117 1.177 64 HB2 CYS 9 2HB CYS 9 -4.973 -3.320 -1.030 65 HB3 CYS 9 1HB CYS 9 -5.887 -2.150 -0.068 66 H ASP 10 H ASP 10 -5.156 -5.214 -0.967 67 HA ASP 10 HA ASP 10 -2.968 -6.974 -0.163 68 HB2 ASP 10 2HB ASP 10 -5.210 -8.101 -0.392 69 HB3 ASP 10 1HB ASP 10 -5.271 -7.565 -2.065 70 HA PRO 11 HA PRO 11 -0.933 -4.867 -3.590 71 HB2 PRO 11 2HB PRO 11 0.776 -7.114 -3.934 72 HB3 PRO 11 1HB PRO 11 1.160 -5.591 -3.131 73 HG2 PRO 11 2HG PRO 11 0.278 -8.169 -1.985 74 HG3 PRO 11 1HG PRO 11 1.302 -6.897 -1.265 75 HD2 PRO 11 2HD PRO 11 -1.152 -7.355 -0.465 76 HD3 PRO 11 1HD PRO 11 -0.526 -5.707 -0.552 77 H LYS 12 H LYS 12 -2.165 -8.178 -3.643 78 HA LYS 12 HA LYS 12 -1.987 -8.420 -6.496 79 HB2 LYS 12 2HB LYS 12 -3.505 -10.068 -4.476 80 HB3 LYS 12 1HB LYS 12 -3.452 -10.437 -6.192 81 HG2 LYS 12 2HG LYS 12 -1.025 -10.727 -6.051 82 HG3 LYS 12 1HG LYS 12 -1.087 -10.358 -4.325 83 HD2 LYS 12 2HD LYS 12 -2.510 -12.280 -3.940 84 HD3 LYS 12 1HD LYS 12 -2.535 -12.644 -5.664 85 HE2 LYS 12 2HE LYS 12 -0.075 -12.633 -3.912 86 HE3 LYS 12 1HE LYS 12 -0.967 -14.075 -4.386 87 HZ1 LYS 12 1HZ LYS 12 0.954 -13.752 -5.772 88 HZ2 LYS 12 2HZ LYS 12 0.460 -12.218 -6.214 89 HZ3 LYS 12 3HZ LYS 12 -0.430 -13.572 -6.706 90 H ASN 13 H ASN 13 -4.053 -6.780 -4.495 91 HA ASN 13 HA ASN 13 -5.936 -6.261 -6.689 92 HB2 ASN 13 2HB ASN 13 -6.766 -7.995 -4.909 93 HB3 ASN 13 1HB ASN 13 -6.846 -6.622 -3.823 94 HD21 ASN 13 1HD2 ASN 13 -8.249 -8.142 -6.559 95 HD22 ASN 13 2HD2 ASN 13 -9.659 -7.154 -6.668 96 H ASP 14 H ASP 14 -3.777 -4.906 -6.032 97 HA ASP 14 HA ASP 14 -3.761 -3.147 -3.858 98 HB2 ASP 14 2HB ASP 14 -1.777 -3.635 -5.166 99 HB3 ASP 14 1HB ASP 14 -2.466 -2.747 -6.530 100 H LYS 15 H LYS 15 -4.758 -1.505 -3.400 101 HA LYS 15 HA LYS 15 -6.131 0.076 -5.456 102 HB2 LYS 15 2HB LYS 15 -7.027 -0.829 -2.763 103 HB3 LYS 15 1HB LYS 15 -7.758 0.562 -3.547 104 HG2 LYS 15 2HG LYS 15 -8.400 -0.852 -5.455 105 HG3 LYS 15 1HG LYS 15 -7.632 -2.236 -4.683 106 HD2 LYS 15 2HD LYS 15 -9.893 -0.684 -3.439 107 HD3 LYS 15 1HD LYS 15 -10.134 -2.099 -4.462 108 HE2 LYS 15 2HE LYS 15 -8.515 -2.061 -1.915 109 HE3 LYS 15 1HE LYS 15 -10.174 -2.633 -2.046 110 HZ1 LYS 15 1HZ LYS 15 -7.800 -3.827 -3.412 111 HZ2 LYS 15 2HZ LYS 15 -9.372 -4.301 -3.676 112 HZ3 LYS 15 3HZ LYS 15 -8.708 -4.498 -2.162 113 H CYS 16 H CYS 16 -3.500 0.421 -4.313 114 HA CYS 16 HA CYS 16 -3.522 2.423 -2.341 115 HB2 CYS 16 2HB CYS 16 -1.490 1.205 -4.085 116 HB3 CYS 16 1HB CYS 16 -1.111 2.735 -3.288 117 H CYS 17 H CYS 17 -2.663 4.541 -2.507 118 HA CYS 17 HA CYS 17 -3.811 5.899 -4.781 119 HB2 CYS 17 2HB CYS 17 -3.971 6.486 -2.180 120 HB3 CYS 17 1HB CYS 17 -2.498 7.363 -2.555 121 H LYS 18 H LYS 18 -2.229 8.148 -4.652 122 HA LYS 18 HA LYS 18 -0.274 7.429 -6.528 123 HB2 LYS 18 2HB LYS 18 -1.477 9.506 -6.683 124 HB3 LYS 18 1HB LYS 18 -0.885 10.009 -5.108 125 HG2 LYS 18 2HG LYS 18 0.311 11.151 -6.817 126 HG3 LYS 18 1HG LYS 18 1.357 10.003 -5.960 127 HD2 LYS 18 2HD LYS 18 1.109 8.393 -7.785 128 HD3 LYS 18 1HD LYS 18 0.061 9.517 -8.645 129 HE2 LYS 18 2HE LYS 18 2.928 10.068 -7.901 130 HE3 LYS 18 1HE LYS 18 2.411 9.471 -9.472 131 HZ1 LYS 18 1HZ LYS 18 1.598 12.047 -8.252 132 HZ2 LYS 18 2HZ LYS 18 1.153 11.489 -9.793 133 HZ3 LYS 18 3HZ LYS 18 2.785 11.825 -9.429 134 H ASN 19 H ASN 19 1.788 6.940 -6.259 135 HA ASN 19 HA ASN 19 3.873 6.707 -5.465 136 HB2 ASN 19 2HB ASN 19 3.360 9.188 -4.853 137 HB3 ASN 19 1HB ASN 19 3.326 8.596 -3.201 138 HD21 ASN 19 1HD2 ASN 19 5.227 7.726 -2.341 139 HD22 ASN 19 2HD2 ASN 19 6.792 8.100 -2.967 140 H TYR 20 H TYR 20 1.457 5.357 -4.377 141 HA TYR 20 HA TYR 20 2.753 4.144 -2.040 142 HB2 TYR 20 2HB TYR 20 -0.151 4.568 -2.569 143 HB3 TYR 20 1HB TYR 20 0.460 3.461 -1.383 144 HD1 TYR 20 1HD TYR 20 1.869 4.385 0.523 145 HD2 TYR 20 2HD TYR 20 -0.462 6.847 -2.021 146 HE1 TYR 20 1HE TYR 20 1.880 6.130 2.224 147 HE2 TYR 20 2HE TYR 20 -0.463 8.607 -0.335 148 HH TYR 20 HH TYR 20 -0.194 8.737 2.183 149 H THR 21 H THR 21 2.212 1.950 -1.700 150 HA THR 21 HA THR 21 1.042 0.255 -3.748 151 HB THR 21 HB THR 21 3.833 -0.032 -2.907 152 HG1 THR 21 1HG THR 21 2.952 1.642 -4.733 153 HG21 THR 21 1HG2 THR 21 4.061 -1.683 -4.773 154 HG22 THR 21 2HG2 THR 21 2.337 -1.471 -5.067 155 HG23 THR 21 3HG2 THR 21 2.895 -2.127 -3.525 156 H CYS 22 H CYS 22 0.137 -1.394 -2.497 157 HA CYS 22 HA CYS 22 1.078 -1.482 0.110 158 HB2 CYS 22 2HB CYS 22 -0.723 -3.393 0.302 159 HB3 CYS 22 1HB CYS 22 -1.050 -1.672 0.530 160 H SER 23 H SER 23 1.827 -2.823 1.315 161 HA SER 23 HA SER 23 3.716 -4.645 0.077 162 HB2 SER 23 2HB SER 23 4.517 -2.930 1.635 163 HB3 SER 23 1HB SER 23 3.347 -3.433 2.835 164 HG SER 23 HG SER 23 5.359 -4.205 3.343 165 H ARG 24 H ARG 24 3.808 -6.925 0.846 166 HA ARG 24 HA ARG 24 1.338 -7.835 1.920 167 HB2 ARG 24 2HB ARG 24 3.692 -9.102 0.690 168 HB3 ARG 24 1HB ARG 24 2.695 -9.966 1.871 169 HG2 ARG 24 2HG ARG 24 1.635 -8.733 -0.660 170 HG3 ARG 24 1HG ARG 24 2.065 -10.433 -0.509 171 HD2 ARG 24 2HD ARG 24 0.437 -10.670 1.337 172 HD3 ARG 24 1HD ARG 24 -0.048 -9.001 1.139 173 HE ARG 24 HE ARG 24 -1.192 -9.576 -0.835 174 HH11 ARG 24 1HH1 ARG 24 0.569 -12.412 0.378 175 HH12 ARG 24 2HH1 ARG 24 -0.473 -13.507 -0.403 176 HH21 ARG 24 1HH2 ARG 24 -2.600 -11.041 -1.786 177 HH22 ARG 24 2HH2 ARG 24 -2.362 -12.730 -1.648 178 H ARG 25 H ARG 25 4.614 -7.271 2.762 179 HA ARG 25 HA ARG 25 4.884 -8.788 5.095 180 HB2 ARG 25 2HB ARG 25 6.677 -7.643 3.809 181 HB3 ARG 25 1HB ARG 25 6.060 -6.106 4.387 182 HG2 ARG 25 2HG ARG 25 6.482 -6.896 6.679 183 HG3 ARG 25 1HG ARG 25 7.304 -8.299 5.960 184 HD2 ARG 25 2HD ARG 25 8.937 -6.565 6.539 185 HD3 ARG 25 1HD ARG 25 8.842 -6.773 4.790 186 HE ARG 25 HE ARG 25 7.043 -4.763 5.507 187 HH11 ARG 25 1HH1 ARG 25 10.558 -5.186 5.353 188 HH12 ARG 25 2HH1 ARG 25 10.859 -3.515 5.257 189 HH21 ARG 25 1HH2 ARG 25 7.449 -2.601 5.451 190 HH22 ARG 25 2HH2 ARG 25 9.071 -1.988 5.350 191 H ASP 26 H ASP 26 4.042 -5.420 4.550 192 HA ASP 26 HA ASP 26 3.291 -4.954 7.305 193 HB2 ASP 26 2HB ASP 26 3.083 -3.055 4.969 194 HB3 ASP 26 1HB ASP 26 3.120 -2.721 6.667 195 H ARG 27 H ARG 27 1.764 -5.811 4.286 196 HA ARG 27 HA ARG 27 -0.135 -5.571 3.323 197 HB2 ARG 27 2HB ARG 27 -1.244 -6.139 6.075 198 HB3 ARG 27 1HB ARG 27 -2.057 -6.153 4.495 199 HG2 ARG 27 2HG ARG 27 0.269 -7.891 5.047 200 HG3 ARG 27 1HG ARG 27 -1.398 -8.399 5.358 201 HD2 ARG 27 2HD ARG 27 -0.187 -7.509 2.773 202 HD3 ARG 27 1HD ARG 27 -0.659 -9.174 3.170 203 HE ARG 27 HE ARG 27 -2.261 -6.903 2.387 204 HH11 ARG 27 1HH1 ARG 27 -2.246 -10.365 3.351 205 HH12 ARG 27 2HH1 ARG 27 -3.874 -10.594 2.943 206 HH21 ARG 27 1HH2 ARG 27 -4.601 -7.318 1.894 207 HH22 ARG 27 2HH2 ARG 27 -5.196 -8.885 2.130 208 H TRP 28 H TRP 28 0.868 -3.005 4.681 209 HA TRP 28 HA TRP 28 -1.666 -1.646 4.256 210 HB2 TRP 28 2HB TRP 28 -0.753 0.305 5.369 211 HB3 TRP 28 1HB TRP 28 -0.733 -1.089 6.421 212 HD1 TRP 28 HD TRP 28 2.195 -0.489 3.988 213 HE1 TRP 28 1HE TRP 28 4.285 0.150 5.434 214 HE3 TRP 28 3HE TRP 28 -0.058 -0.048 8.424 215 HZ2 TRP 28 2HZ TRP 28 4.834 0.770 8.115 216 HZ3 TRP 28 3HZ TRP 28 1.280 0.591 10.442 217 HH2 TRP 28 HH TRP 28 3.678 0.987 10.258 218 H CYS 29 H CYS 29 -1.305 0.529 3.330 219 HA CYS 29 HA CYS 29 -0.123 0.077 0.764 220 HB2 CYS 29 2HB CYS 29 -2.391 1.019 1.120 221 HB3 CYS 29 1HB CYS 29 -1.657 2.400 1.919 222 H LYS 30 H LYS 30 2.025 0.192 0.956 223 HA LYS 30 HA LYS 30 3.251 1.958 2.825 224 HB2 LYS 30 2HB LYS 30 3.862 -0.428 2.512 225 HB3 LYS 30 1HB LYS 30 4.398 -0.046 0.890 226 HG2 LYS 30 2HG LYS 30 6.156 1.298 1.716 227 HG3 LYS 30 1HG LYS 30 5.533 1.163 3.373 228 HD2 LYS 30 2HD LYS 30 5.916 -1.263 3.306 229 HD3 LYS 30 1HD LYS 30 6.563 -1.112 1.674 230 HE2 LYS 30 2HE LYS 30 7.723 0.227 4.115 231 HE3 LYS 30 1HE LYS 30 8.293 -1.293 3.437 232 HZ1 LYS 30 1HZ LYS 30 9.614 0.619 2.710 233 HZ2 LYS 30 2HZ LYS 30 8.261 1.278 1.938 234 HZ3 LYS 30 3HZ LYS 30 8.883 -0.186 1.435 235 H TYR 31 H TYR 31 4.482 3.665 2.314 236 HA TYR 31 HA TYR 31 4.054 5.118 -0.066 237 HB2 TYR 31 2HB TYR 31 4.743 5.949 2.260 238 HB3 TYR 31 1HB TYR 31 6.354 5.379 1.848 239 HD1 TYR 31 1HD TYR 31 7.815 6.709 0.503 240 HD2 TYR 31 2HD TYR 31 3.736 7.832 0.970 241 HE1 TYR 31 1HE TYR 31 8.311 8.903 -0.459 242 HE2 TYR 31 2HE TYR 31 4.220 10.023 -0.003 243 HH TYR 31 HH TYR 31 6.139 11.510 -0.301 244 H TYR 32 H TYR 32 4.916 4.594 -1.987 245 HA TYR 32 HA TYR 32 7.156 2.761 -1.986 246 HB2 TYR 32 2HB TYR 32 5.146 2.100 -3.178 247 HB3 TYR 32 1HB TYR 32 5.285 3.523 -4.209 248 HD1 TYR 32 1HD TYR 32 7.125 0.484 -3.173 249 HD2 TYR 32 2HD TYR 32 6.463 3.367 -6.191 250 HE1 TYR 32 1HE TYR 32 8.537 -0.821 -4.707 251 HE2 TYR 32 2HE TYR 32 7.854 2.117 -7.742 252 HH TYR 32 HH TYR 32 8.839 -1.092 -7.100 253 H LEU 33 H LEU 33 9.066 3.377 -2.425 254 HA LEU 33 HA LEU 33 9.655 6.020 -3.354 255 HB2 LEU 33 2HB LEU 33 11.129 4.854 -1.749 256 HB3 LEU 33 1HB LEU 33 11.458 3.619 -2.942 257 HG LEU 33 HG LEU 33 12.584 5.336 -4.350 258 HD11 LEU 33 1HD1 LEU 33 13.197 7.465 -3.353 259 HD12 LEU 33 2HD1 LEU 33 12.234 7.076 -1.929 260 HD13 LEU 33 3HD1 LEU 33 11.442 7.314 -3.487 261 HD21 LEU 33 1HD2 LEU 33 14.596 5.476 -2.986 262 HD22 LEU 33 2HD2 LEU 33 13.857 3.878 -2.857 263 HD23 LEU 33 3HD2 LEU 33 13.663 5.048 -1.554 264 HN1 NH2 34 1H LEU 33 10.927 3.005 -4.633 265 HN2 NH2 34 2H LEU 33 10.609 3.347 -6.297 Start of MODEL 6 1 H1 ASP 1 1HT ASP 1 -10.587 6.124 -6.863 2 H2 ASP 1 2HT ASP 1 -12.228 6.361 -6.494 3 H3 ASP 1 3HT ASP 1 -11.518 4.825 -6.379 4 HA ASP 1 HA ASP 1 -10.667 7.117 -4.772 5 HB2 ASP 1 2HB ASP 1 -12.925 6.441 -4.140 6 HB3 ASP 1 1HB ASP 1 -12.427 4.749 -4.033 7 H CYS 2 H CYS 2 -9.344 6.224 -2.926 8 HA CYS 2 HA CYS 2 -7.864 3.834 -3.686 9 HB2 CYS 2 2HB CYS 2 -5.708 5.094 -3.438 10 HB3 CYS 2 1HB CYS 2 -6.614 5.559 -4.847 11 H LEU 3 H LEU 3 -5.822 4.036 -1.983 12 HA LEU 3 HA LEU 3 -7.071 4.091 0.664 13 HB2 LEU 3 2HB LEU 3 -4.825 2.431 -0.433 14 HB3 LEU 3 1HB LEU 3 -5.330 2.411 1.246 15 HG LEU 3 HG LEU 3 -6.979 1.485 -1.116 16 HD11 LEU 3 1HD1 LEU 3 -5.151 -0.017 -0.586 17 HD12 LEU 3 2HD1 LEU 3 -6.704 -0.729 -0.147 18 HD13 LEU 3 3HD1 LEU 3 -5.660 -0.054 1.103 19 HD21 LEU 3 1HD2 LEU 3 -7.602 1.425 1.839 20 HD22 LEU 3 2HD2 LEU 3 -8.566 0.669 0.571 21 HD23 LEU 3 3HD2 LEU 3 -8.407 2.423 0.628 22 H GLY 4 H GLY 4 -5.456 4.613 2.368 23 HA2 GLY 4 2HA GLY 4 -3.732 6.641 1.275 24 HA3 GLY 4 1HA GLY 4 -4.334 6.632 2.939 25 H TRP 5 H TRP 5 -3.297 5.022 4.458 26 HA TRP 5 HA TRP 5 -0.777 4.166 3.492 27 HB2 TRP 5 2HB TRP 5 -0.795 6.351 4.702 28 HB3 TRP 5 1HB TRP 5 -1.270 5.470 6.120 29 HD1 TRP 5 HD TRP 5 0.812 3.010 5.921 30 HE1 TRP 5 1HE TRP 5 3.289 3.427 6.438 31 HE3 TRP 5 3HE TRP 5 0.952 8.049 5.115 32 HZ2 TRP 5 2HZ TRP 5 5.079 5.622 6.500 33 HZ3 TRP 5 3HZ TRP 5 3.093 9.232 5.427 34 HH2 TRP 5 HH TRP 5 5.105 8.037 6.103 35 H PHE 6 H PHE 6 -2.166 4.050 6.611 36 HA PHE 6 HA PHE 6 -1.274 1.310 6.974 37 HB2 PHE 6 2HB PHE 6 -2.876 3.045 8.878 38 HB3 PHE 6 1HB PHE 6 -2.064 1.535 9.278 39 HD1 PHE 6 1HD PHE 6 0.478 1.497 8.938 40 HD2 PHE 6 2HD PHE 6 -1.843 5.045 9.168 41 HE1 PHE 6 1HE PHE 6 2.473 2.753 9.566 42 HE2 PHE 6 2HE PHE 6 0.161 6.309 9.795 43 HZ PHE 6 HZ PHE 6 2.316 5.165 9.991 44 H LYS 7 H LYS 7 -3.444 1.840 5.093 45 HA LYS 7 HA LYS 7 -5.659 0.323 6.258 46 HB2 LYS 7 2HB LYS 7 -5.325 1.353 3.461 47 HB3 LYS 7 1HB LYS 7 -6.744 0.609 4.116 48 HG2 LYS 7 2HG LYS 7 -5.641 3.271 5.003 49 HG3 LYS 7 1HG LYS 7 -7.071 3.011 4.001 50 HD2 LYS 7 2HD LYS 7 -8.006 1.646 5.913 51 HD3 LYS 7 1HD LYS 7 -6.669 2.252 6.885 52 HE2 LYS 7 2HE LYS 7 -8.767 3.932 5.518 53 HE3 LYS 7 1HE LYS 7 -8.716 3.551 7.232 54 HZ1 LYS 7 1HZ LYS 7 -6.661 4.785 7.411 55 HZ2 LYS 7 2HZ LYS 7 -7.873 5.745 6.790 56 HZ3 LYS 7 3HZ LYS 7 -6.684 5.161 5.761 57 H SER 8 H SER 8 -6.187 -1.734 5.518 58 HA SER 8 HA SER 8 -4.048 -3.358 4.795 59 HB2 SER 8 2HB SER 8 -6.937 -4.020 4.706 60 HB3 SER 8 1HB SER 8 -5.559 -5.009 5.159 61 HG SER 8 HG SER 8 -5.227 -3.732 6.959 62 H CYS 9 H CYS 9 -3.625 -4.102 2.864 63 HA CYS 9 HA CYS 9 -5.524 -3.819 0.690 64 HB2 CYS 9 2HB CYS 9 -4.308 -1.830 0.614 65 HB3 CYS 9 1HB CYS 9 -2.772 -2.724 0.675 66 H ASP 10 H ASP 10 -4.634 -4.789 -1.202 67 HA ASP 10 HA ASP 10 -3.258 -7.303 -0.495 68 HB2 ASP 10 2HB ASP 10 -5.701 -7.591 -1.005 69 HB3 ASP 10 1HB ASP 10 -5.382 -6.967 -2.620 70 HA PRO 11 HA PRO 11 -0.279 -5.635 -3.359 71 HB2 PRO 11 2HB PRO 11 0.884 -8.082 -3.899 72 HB3 PRO 11 1HB PRO 11 1.405 -6.978 -2.599 73 HG2 PRO 11 2HG PRO 11 -0.279 -9.428 -2.528 74 HG3 PRO 11 1HG PRO 11 0.815 -8.780 -1.293 75 HD2 PRO 11 2HD PRO 11 -1.852 -8.611 -1.094 76 HD3 PRO 11 1HD PRO 11 -0.784 -7.336 -0.467 77 H LYS 12 H LYS 12 -2.363 -8.251 -4.132 78 HA LYS 12 HA LYS 12 -1.603 -8.294 -6.953 79 HB2 LYS 12 2HB LYS 12 -3.902 -9.755 -5.676 80 HB3 LYS 12 1HB LYS 12 -3.089 -10.153 -7.180 81 HG2 LYS 12 2HG LYS 12 -1.080 -10.747 -5.901 82 HG3 LYS 12 1HG LYS 12 -1.947 -10.412 -4.403 83 HD2 LYS 12 2HD LYS 12 -2.557 -12.558 -6.444 84 HD3 LYS 12 1HD LYS 12 -1.980 -12.790 -4.797 85 HE2 LYS 12 2HE LYS 12 -4.672 -11.701 -5.631 86 HE3 LYS 12 1HE LYS 12 -4.361 -13.291 -4.954 87 HZ1 LYS 12 1HZ LYS 12 -5.243 -11.794 -3.317 88 HZ2 LYS 12 2HZ LYS 12 -4.045 -10.677 -3.533 89 HZ3 LYS 12 3HZ LYS 12 -3.681 -12.191 -2.871 90 H ASN 13 H ASN 13 -3.685 -6.722 -4.898 91 HA ASN 13 HA ASN 13 -5.375 -5.786 -7.112 92 HB2 ASN 13 2HB ASN 13 -6.445 -7.637 -5.701 93 HB3 ASN 13 1HB ASN 13 -6.453 -6.495 -4.376 94 HD21 ASN 13 1HD2 ASN 13 -7.867 -7.268 -7.463 95 HD22 ASN 13 2HD2 ASN 13 -9.190 -6.185 -7.374 96 H ASP 14 H ASP 14 -3.259 -4.502 -6.320 97 HA ASP 14 HA ASP 14 -3.299 -2.797 -4.120 98 HB2 ASP 14 2HB ASP 14 -1.382 -3.057 -5.651 99 HB3 ASP 14 1HB ASP 14 -2.271 -2.095 -6.843 100 H LYS 15 H LYS 15 -4.433 -1.200 -3.576 101 HA LYS 15 HA LYS 15 -6.166 0.187 -5.499 102 HB2 LYS 15 2HB LYS 15 -6.675 -0.728 -2.693 103 HB3 LYS 15 1HB LYS 15 -7.662 0.488 -3.481 104 HG2 LYS 15 2HG LYS 15 -8.217 -1.164 -5.246 105 HG3 LYS 15 1HG LYS 15 -7.258 -2.368 -4.389 106 HD2 LYS 15 2HD LYS 15 -9.624 -2.672 -3.911 107 HD3 LYS 15 1HD LYS 15 -8.776 -2.160 -2.455 108 HE2 LYS 15 2HE LYS 15 -10.924 -1.007 -2.706 109 HE3 LYS 15 1HE LYS 15 -9.581 0.125 -2.766 110 HZ1 LYS 15 1HZ LYS 15 -11.224 0.616 -4.439 111 HZ2 LYS 15 2HZ LYS 15 -11.110 -0.905 -5.112 112 HZ3 LYS 15 3HZ LYS 15 -9.802 0.161 -5.205 113 H CYS 16 H CYS 16 -3.475 0.871 -4.564 114 HA CYS 16 HA CYS 16 -3.898 3.025 -2.694 115 HB2 CYS 16 2HB CYS 16 -1.481 1.861 -3.994 116 HB3 CYS 16 1HB CYS 16 -1.418 3.302 -2.981 117 H CYS 17 H CYS 17 -3.106 5.161 -3.070 118 HA CYS 17 HA CYS 17 -3.627 6.102 -5.738 119 HB2 CYS 17 2HB CYS 17 -3.592 7.265 -3.039 120 HB3 CYS 17 1HB CYS 17 -2.865 8.287 -4.253 121 H LYS 18 H LYS 18 -2.089 8.162 -5.929 122 HA LYS 18 HA LYS 18 0.357 7.199 -6.940 123 HB2 LYS 18 2HB LYS 18 -0.749 9.120 -7.887 124 HB3 LYS 18 1HB LYS 18 -0.639 9.978 -6.363 125 HG2 LYS 18 2HG LYS 18 0.948 10.853 -7.832 126 HG3 LYS 18 1HG LYS 18 1.764 9.934 -6.553 127 HD2 LYS 18 2HD LYS 18 2.022 8.034 -8.115 128 HD3 LYS 18 1HD LYS 18 1.263 8.989 -9.389 129 HE2 LYS 18 2HE LYS 18 3.855 9.616 -7.976 130 HE3 LYS 18 1HE LYS 18 3.689 9.017 -9.623 131 HZ1 LYS 18 1HZ LYS 18 2.757 11.651 -8.601 132 HZ2 LYS 18 2HZ LYS 18 2.505 11.083 -10.168 133 HZ3 LYS 18 3HZ LYS 18 4.066 11.379 -9.627 134 H ASN 19 H ASN 19 2.302 7.066 -6.238 135 HA ASN 19 HA ASN 19 4.155 7.195 -5.019 136 HB2 ASN 19 2HB ASN 19 2.620 9.300 -3.653 137 HB3 ASN 19 1HB ASN 19 4.052 8.685 -2.809 138 HD21 ASN 19 1HD2 ASN 19 5.272 10.530 -3.004 139 HD22 ASN 19 2HD2 ASN 19 5.793 11.183 -4.504 140 H TYR 20 H TYR 20 1.443 5.728 -4.192 141 HA TYR 20 HA TYR 20 2.802 4.379 -2.026 142 HB2 TYR 20 2HB TYR 20 -0.077 5.213 -2.145 143 HB3 TYR 20 1HB TYR 20 0.522 3.972 -1.081 144 HD1 TYR 20 1HD TYR 20 1.714 4.485 0.909 145 HD2 TYR 20 2HD TYR 20 0.698 7.601 -1.790 146 HE1 TYR 20 1HE TYR 20 2.385 6.130 2.583 147 HE2 TYR 20 2HE TYR 20 1.366 9.267 -0.126 148 HH TYR 20 HH TYR 20 1.616 9.386 2.314 149 H THR 21 H THR 21 2.032 2.286 -1.721 150 HA THR 21 HA THR 21 0.362 0.920 -3.472 151 HB THR 21 HB THR 21 2.114 1.193 -5.023 152 HG1 THR 21 1HG THR 21 1.019 -0.981 -4.573 153 HG21 THR 21 1HG2 THR 21 4.381 0.224 -4.742 154 HG22 THR 21 2HG2 THR 21 3.967 -0.183 -3.075 155 HG23 THR 21 3HG2 THR 21 4.049 1.506 -3.576 156 H CYS 22 H CYS 22 -0.022 -1.076 -2.730 157 HA CYS 22 HA CYS 22 0.772 -1.248 -0.008 158 HB2 CYS 22 2HB CYS 22 -0.860 -3.067 0.101 159 HB3 CYS 22 1HB CYS 22 -1.506 -1.451 -0.226 160 H SER 23 H SER 23 1.808 -2.646 0.987 161 HA SER 23 HA SER 23 3.483 -4.378 -0.655 162 HB2 SER 23 2HB SER 23 4.555 -2.574 0.699 163 HB3 SER 23 1HB SER 23 3.916 -3.303 2.150 164 HG SER 23 HG SER 23 5.743 -4.465 0.326 165 H ARG 24 H ARG 24 4.033 -6.502 0.368 166 HA ARG 24 HA ARG 24 1.675 -7.700 1.622 167 HB2 ARG 24 2HB ARG 24 3.265 -8.602 -0.271 168 HB3 ARG 24 1HB ARG 24 4.213 -9.148 1.123 169 HG2 ARG 24 2HG ARG 24 1.425 -9.994 0.305 170 HG3 ARG 24 1HG ARG 24 2.876 -10.977 0.280 171 HD2 ARG 24 2HD ARG 24 1.431 -9.931 2.712 172 HD3 ARG 24 1HD ARG 24 1.429 -11.591 2.122 173 HE ARG 24 HE ARG 24 4.072 -10.732 2.656 174 HH11 ARG 24 1HH1 ARG 24 1.175 -11.944 4.256 175 HH12 ARG 24 2HH1 ARG 24 1.957 -12.290 5.729 176 HH21 ARG 24 1HH2 ARG 24 5.160 -11.221 4.669 177 HH22 ARG 24 2HH2 ARG 24 4.273 -11.936 5.942 178 H ARG 25 H ARG 25 5.056 -6.922 2.235 179 HA ARG 25 HA ARG 25 5.580 -8.265 4.594 180 HB2 ARG 25 2HB ARG 25 7.165 -6.933 3.179 181 HB3 ARG 25 1HB ARG 25 6.456 -5.475 3.860 182 HG2 ARG 25 2HG ARG 25 7.078 -6.415 6.099 183 HG3 ARG 25 1HG ARG 25 8.048 -7.590 5.185 184 HD2 ARG 25 2HD ARG 25 9.455 -5.750 5.856 185 HD3 ARG 25 1HD ARG 25 9.226 -5.701 4.104 186 HE ARG 25 HE ARG 25 7.256 -4.097 5.040 187 HH11 ARG 25 1HH1 ARG 25 10.769 -4.081 5.464 188 HH12 ARG 25 2HH1 ARG 25 10.844 -2.428 5.849 189 HH21 ARG 25 1HH2 ARG 25 7.347 -1.913 5.620 190 HH22 ARG 25 2HH2 ARG 25 8.846 -1.153 5.957 191 H ASP 26 H ASP 26 4.287 -5.090 4.010 192 HA ASP 26 HA ASP 26 3.730 -4.560 6.785 193 HB2 ASP 26 2HB ASP 26 3.217 -2.905 4.315 194 HB3 ASP 26 1HB ASP 26 3.196 -2.373 5.975 195 H ARG 27 H ARG 27 2.077 -5.676 3.881 196 HA ARG 27 HA ARG 27 0.147 -5.654 3.063 197 HB2 ARG 27 2HB ARG 27 -0.656 -6.483 5.840 198 HB3 ARG 27 1HB ARG 27 -1.662 -6.507 4.386 199 HG2 ARG 27 2HG ARG 27 0.206 -7.902 3.348 200 HG3 ARG 27 1HG ARG 27 0.708 -8.201 5.009 201 HD2 ARG 27 2HD ARG 27 -0.756 -9.962 4.300 202 HD3 ARG 27 1HD ARG 27 -1.607 -8.962 5.490 203 HE ARG 27 HE ARG 27 -1.905 -8.663 2.604 204 HH11 ARG 27 1HH1 ARG 27 -3.397 -9.075 5.796 205 HH12 ARG 27 2HH1 ARG 27 -4.944 -8.568 5.316 206 HH21 ARG 27 1HH2 ARG 27 -4.091 -7.911 1.950 207 HH22 ARG 27 2HH2 ARG 27 -5.345 -7.883 3.085 208 H TRP 28 H TRP 28 0.882 -3.046 4.319 209 HA TRP 28 HA TRP 28 -1.788 -1.968 4.052 210 HB2 TRP 28 2HB TRP 28 -1.101 -0.016 5.389 211 HB3 TRP 28 1HB TRP 28 -0.881 -1.497 6.263 212 HD1 TRP 28 HD TRP 28 1.737 0.143 3.920 213 HE1 TRP 28 1HE TRP 28 3.818 0.706 5.399 214 HE3 TRP 28 3HE TRP 28 -0.129 -1.185 8.357 215 HZ2 TRP 28 2HZ TRP 28 4.505 0.585 8.142 216 HZ3 TRP 28 3HZ TRP 28 1.206 -0.947 10.381 217 HH2 TRP 28 HH TRP 28 3.510 -0.068 10.280 218 H CYS 29 H CYS 29 -1.488 0.434 3.315 219 HA CYS 29 HA CYS 29 -0.267 0.242 0.726 220 HB2 CYS 29 2HB CYS 29 -2.550 1.223 1.166 221 HB3 CYS 29 1HB CYS 29 -1.756 2.524 2.043 222 H LYS 30 H LYS 30 1.896 0.458 0.826 223 HA LYS 30 HA LYS 30 3.015 2.250 2.791 224 HB2 LYS 30 2HB LYS 30 3.676 -0.146 2.778 225 HB3 LYS 30 1HB LYS 30 4.273 0.061 1.138 226 HG2 LYS 30 2HG LYS 30 5.942 1.513 1.832 227 HG3 LYS 30 1HG LYS 30 5.274 1.618 3.480 228 HD2 LYS 30 2HD LYS 30 7.193 0.196 3.525 229 HD3 LYS 30 1HD LYS 30 5.762 -0.809 3.706 230 HE2 LYS 30 2HE LYS 30 5.870 -1.297 1.270 231 HE3 LYS 30 1HE LYS 30 7.387 -0.405 1.210 232 HZ1 LYS 30 1HZ LYS 30 8.363 -1.927 2.726 233 HZ2 LYS 30 2HZ LYS 30 7.704 -2.795 1.441 234 HZ3 LYS 30 3HZ LYS 30 6.893 -2.748 2.942 235 H TYR 31 H TYR 31 4.873 3.495 2.056 236 HA TYR 31 HA TYR 31 4.250 5.030 -0.222 237 HB2 TYR 31 2HB TYR 31 5.417 5.770 1.924 238 HB3 TYR 31 1HB TYR 31 6.854 4.984 1.283 239 HD1 TYR 31 1HD TYR 31 4.298 7.497 0.299 240 HD2 TYR 31 2HD TYR 31 8.369 6.298 0.111 241 HE1 TYR 31 1HE TYR 31 4.843 9.590 -0.822 242 HE2 TYR 31 2HE TYR 31 8.938 8.390 -1.031 243 HH TYR 31 HH TYR 31 7.836 10.134 -2.356 244 H TYR 32 H TYR 32 5.066 4.948 -2.174 245 HA TYR 32 HA TYR 32 6.356 2.591 -3.101 246 HB2 TYR 32 2HB TYR 32 4.705 3.591 -4.501 247 HB3 TYR 32 1HB TYR 32 5.476 5.161 -4.374 248 HD1 TYR 32 1HD TYR 32 7.015 5.856 -5.938 249 HD2 TYR 32 2HD TYR 32 5.910 1.764 -5.824 250 HE1 TYR 32 1HE TYR 32 8.185 5.507 -8.042 251 HE2 TYR 32 2HE TYR 32 7.094 1.383 -7.947 252 HH TYR 32 HH TYR 32 7.804 2.734 -9.928 253 H LEU 33 H LEU 33 8.404 2.293 -3.482 254 HA LEU 33 HA LEU 33 10.282 4.406 -2.793 255 HB2 LEU 33 2HB LEU 33 10.797 1.471 -3.356 256 HB3 LEU 33 1HB LEU 33 12.037 2.625 -2.938 257 HG LEU 33 HG LEU 33 11.644 1.370 -1.007 258 HD11 LEU 33 1HD1 LEU 33 10.804 2.931 0.635 259 HD12 LEU 33 2HD1 LEU 33 10.118 3.920 -0.651 260 HD13 LEU 33 3HD1 LEU 33 11.866 3.702 -0.543 261 HD21 LEU 33 1HD2 LEU 33 9.438 1.021 0.019 262 HD22 LEU 33 2HD2 LEU 33 9.544 0.311 -1.593 263 HD23 LEU 33 3HD2 LEU 33 8.688 1.834 -1.354 264 HN1 NH2 34 1H LEU 33 10.540 1.881 -5.224 265 HN2 NH2 34 2H LEU 33 10.934 2.933 -6.533 Start of MODEL 7 1 H1 ASP 1 1HT ASP 1 -11.750 6.983 -2.096 2 H2 ASP 1 2HT ASP 1 -12.748 7.124 -3.441 3 H3 ASP 1 3HT ASP 1 -11.380 8.121 -3.274 4 HA ASP 1 HA ASP 1 -11.308 5.194 -3.536 5 HB2 ASP 1 2HB ASP 1 -10.803 7.373 -5.555 6 HB3 ASP 1 1HB ASP 1 -10.180 5.736 -5.755 7 H CYS 2 H CYS 2 -9.106 4.474 -4.134 8 HA CYS 2 HA CYS 2 -7.259 3.920 -3.329 9 HB2 CYS 2 2HB CYS 2 -5.383 5.406 -3.502 10 HB3 CYS 2 1HB CYS 2 -6.338 5.371 -4.942 11 H LEU 3 H LEU 3 -5.314 4.483 -1.858 12 HA LEU 3 HA LEU 3 -6.542 4.840 0.783 13 HB2 LEU 3 2HB LEU 3 -4.296 3.039 -0.055 14 HB3 LEU 3 1HB LEU 3 -4.941 3.188 1.566 15 HG LEU 3 HG LEU 3 -6.336 2.015 -0.834 16 HD11 LEU 3 1HD1 LEU 3 -6.190 -0.076 0.423 17 HD12 LEU 3 2HD1 LEU 3 -5.257 0.751 1.670 18 HD13 LEU 3 3HD1 LEU 3 -4.609 0.600 0.036 19 HD21 LEU 3 1HD2 LEU 3 -8.114 1.366 0.748 20 HD22 LEU 3 2HD2 LEU 3 -7.971 3.111 0.571 21 HD23 LEU 3 3HD2 LEU 3 -7.323 2.318 2.008 22 H GLY 4 H GLY 4 -4.904 5.416 2.404 23 HA2 GLY 4 2HA GLY 4 -2.886 7.056 1.203 24 HA3 GLY 4 1HA GLY 4 -3.392 7.180 2.910 25 H TRP 5 H TRP 5 -2.137 6.026 4.415 26 HA TRP 5 HA TRP 5 -0.323 4.176 3.243 27 HB2 TRP 5 2HB TRP 5 0.647 6.204 4.376 28 HB3 TRP 5 1HB TRP 5 0.026 5.539 5.879 29 HD1 TRP 5 HD TRP 5 0.866 2.593 5.741 30 HE1 TRP 5 1HE TRP 5 3.320 1.840 5.761 31 HE3 TRP 5 3HE TRP 5 2.988 6.925 4.147 32 HZ2 TRP 5 2HZ TRP 5 5.860 2.978 5.170 33 HZ3 TRP 5 3HZ TRP 5 5.434 7.024 3.899 34 HH2 TRP 5 HH TRP 5 6.836 5.086 4.403 35 H PHE 6 H PHE 6 -1.683 4.617 6.350 36 HA PHE 6 HA PHE 6 -1.314 1.807 6.949 37 HB2 PHE 6 2HB PHE 6 -2.571 3.974 8.654 38 HB3 PHE 6 1HB PHE 6 -2.128 2.359 9.212 39 HD1 PHE 6 1HD PHE 6 -1.042 5.694 8.561 40 HD2 PHE 6 2HD PHE 6 0.273 1.706 9.181 41 HE1 PHE 6 1HE PHE 6 1.211 6.521 9.076 42 HE2 PHE 6 2HE PHE 6 2.505 2.513 9.700 43 HZ PHE 6 HZ PHE 6 2.983 4.924 9.651 44 H LYS 7 H LYS 7 -3.175 2.284 4.927 45 HA LYS 7 HA LYS 7 -5.633 1.167 6.078 46 HB2 LYS 7 2HB LYS 7 -5.031 2.094 3.291 47 HB3 LYS 7 1HB LYS 7 -6.571 1.508 3.851 48 HG2 LYS 7 2HG LYS 7 -5.241 4.016 4.870 49 HG3 LYS 7 1HG LYS 7 -6.505 3.984 3.643 50 HD2 LYS 7 2HD LYS 7 -6.785 3.016 6.502 51 HD3 LYS 7 1HD LYS 7 -7.397 4.540 5.865 52 HE2 LYS 7 2HE LYS 7 -8.827 3.273 4.287 53 HE3 LYS 7 1HE LYS 7 -8.247 1.775 5.007 54 HZ1 LYS 7 1HZ LYS 7 -9.756 3.901 6.399 55 HZ2 LYS 7 2HZ LYS 7 -9.203 2.475 7.124 56 HZ3 LYS 7 3HZ LYS 7 -10.370 2.407 5.910 57 H SER 8 H SER 8 -6.312 -0.890 5.213 58 HA SER 8 HA SER 8 -4.127 -2.570 4.751 59 HB2 SER 8 2HB SER 8 -7.035 -3.132 4.701 60 HB3 SER 8 1HB SER 8 -5.707 -4.204 5.095 61 HG SER 8 HG SER 8 -5.192 -2.750 6.844 62 H CYS 9 H CYS 9 -3.691 -3.582 2.951 63 HA CYS 9 HA CYS 9 -5.397 -3.462 0.613 64 HB2 CYS 9 2HB CYS 9 -4.205 -1.461 0.424 65 HB3 CYS 9 1HB CYS 9 -2.656 -2.300 0.684 66 H ASP 10 H ASP 10 -4.292 -4.597 -1.133 67 HA ASP 10 HA ASP 10 -2.519 -6.760 -0.301 68 HB2 ASP 10 2HB ASP 10 -4.815 -7.572 -0.043 69 HB3 ASP 10 1HB ASP 10 -5.146 -7.172 -1.708 70 HA PRO 11 HA PRO 11 -0.522 -5.615 -4.049 71 HB2 PRO 11 2HB PRO 11 0.291 -8.189 -4.791 72 HB3 PRO 11 1HB PRO 11 1.201 -7.082 -3.740 73 HG2 PRO 11 2HG PRO 11 -0.638 -9.309 -3.034 74 HG3 PRO 11 1HG PRO 11 0.897 -8.829 -2.285 75 HD2 PRO 11 2HD PRO 11 -1.386 -8.240 -1.127 76 HD3 PRO 11 1HD PRO 11 -0.084 -7.025 -1.173 77 H LYS 12 H LYS 12 -2.838 -8.277 -4.196 78 HA LYS 12 HA LYS 12 -3.062 -8.003 -7.101 79 HB2 LYS 12 2HB LYS 12 -4.469 -9.798 -5.156 80 HB3 LYS 12 1HB LYS 12 -4.701 -9.854 -6.891 81 HG2 LYS 12 2HG LYS 12 -2.324 -10.415 -7.189 82 HG3 LYS 12 1HG LYS 12 -2.113 -10.421 -5.438 83 HD2 LYS 12 2HD LYS 12 -3.818 -12.219 -5.296 84 HD3 LYS 12 1HD LYS 12 -3.900 -12.240 -7.058 85 HE2 LYS 12 2HE LYS 12 -2.447 -14.022 -6.295 86 HE3 LYS 12 1HE LYS 12 -1.497 -12.799 -7.134 87 HZ1 LYS 12 1HZ LYS 12 -1.743 -13.093 -4.195 88 HZ2 LYS 12 2HZ LYS 12 -0.853 -11.902 -4.950 89 HZ3 LYS 12 3HZ LYS 12 -0.391 -13.513 -5.105 90 H ASN 13 H ASN 13 -4.289 -6.556 -4.432 91 HA ASN 13 HA ASN 13 -6.781 -5.817 -5.796 92 HB2 ASN 13 2HB ASN 13 -7.070 -7.633 -4.080 93 HB3 ASN 13 1HB ASN 13 -6.421 -6.526 -2.897 94 HD21 ASN 13 1HD2 ASN 13 -8.225 -6.838 -1.759 95 HD22 ASN 13 2HD2 ASN 13 -9.714 -6.010 -2.062 96 H ASP 14 H ASP 14 -4.494 -4.565 -5.928 97 HA ASP 14 HA ASP 14 -3.734 -2.708 -4.001 98 HB2 ASP 14 2HB ASP 14 -2.343 -3.183 -5.912 99 HB3 ASP 14 1HB ASP 14 -3.540 -2.447 -6.988 100 H LYS 15 H LYS 15 -4.512 -1.012 -3.296 101 HA LYS 15 HA LYS 15 -6.618 0.475 -4.707 102 HB2 LYS 15 2HB LYS 15 -6.244 -0.064 -1.774 103 HB3 LYS 15 1HB LYS 15 -7.440 1.016 -2.461 104 HG2 LYS 15 2HG LYS 15 -8.542 -0.864 -3.525 105 HG3 LYS 15 1HG LYS 15 -7.290 -1.955 -2.924 106 HD2 LYS 15 2HD LYS 15 -7.911 -1.409 -0.629 107 HD3 LYS 15 1HD LYS 15 -9.152 -0.304 -1.218 108 HE2 LYS 15 2HE LYS 15 -9.043 -3.279 -1.685 109 HE3 LYS 15 1HE LYS 15 -10.114 -2.443 -0.561 110 HZ1 LYS 15 1HZ LYS 15 -10.112 -2.180 -3.514 111 HZ2 LYS 15 2HZ LYS 15 -11.076 -1.277 -2.470 112 HZ3 LYS 15 3HZ LYS 15 -11.272 -2.948 -2.567 113 H CYS 16 H CYS 16 -3.598 0.650 -4.457 114 HA CYS 16 HA CYS 16 -3.233 2.865 -2.700 115 HB2 CYS 16 2HB CYS 16 -1.373 1.213 -4.335 116 HB3 CYS 16 1HB CYS 16 -0.848 2.726 -3.590 117 H CYS 17 H CYS 17 -2.380 4.836 -3.234 118 HA CYS 17 HA CYS 17 -3.470 5.754 -5.769 119 HB2 CYS 17 2HB CYS 17 -3.698 6.740 -3.175 120 HB3 CYS 17 1HB CYS 17 -2.510 7.783 -3.918 121 H LYS 18 H LYS 18 -1.994 8.160 -5.804 122 HA LYS 18 HA LYS 18 0.212 7.364 -7.356 123 HB2 LYS 18 2HB LYS 18 -1.108 9.397 -7.766 124 HB3 LYS 18 1HB LYS 18 -0.577 10.041 -6.220 125 HG2 LYS 18 2HG LYS 18 0.677 11.048 -7.946 126 HG3 LYS 18 1HG LYS 18 1.703 9.956 -6.998 127 HD2 LYS 18 2HD LYS 18 1.420 8.221 -8.754 128 HD3 LYS 18 1HD LYS 18 0.497 9.374 -9.712 129 HE2 LYS 18 2HE LYS 18 2.417 10.823 -9.904 130 HE3 LYS 18 1HE LYS 18 3.350 9.780 -8.830 131 HZ1 LYS 18 1HZ LYS 18 2.315 9.039 -11.513 132 HZ2 LYS 18 2HZ LYS 18 3.138 8.005 -10.491 133 HZ3 LYS 18 3HZ LYS 18 3.924 9.355 -11.134 134 H ASN 19 H ASN 19 2.162 6.955 -6.886 135 HA ASN 19 HA ASN 19 4.143 6.803 -5.877 136 HB2 ASN 19 2HB ASN 19 3.016 8.952 -4.178 137 HB3 ASN 19 1HB ASN 19 4.638 8.303 -3.880 138 HD21 ASN 19 1HD2 ASN 19 4.006 10.987 -4.422 139 HD22 ASN 19 2HD2 ASN 19 4.676 11.419 -5.947 140 H TYR 20 H TYR 20 1.537 5.503 -4.806 141 HA TYR 20 HA TYR 20 2.832 4.407 -2.420 142 HB2 TYR 20 2HB TYR 20 -0.084 4.735 -3.038 143 HB3 TYR 20 1HB TYR 20 0.513 3.692 -1.785 144 HD1 TYR 20 1HD TYR 20 -0.012 7.205 -2.744 145 HD2 TYR 20 2HD TYR 20 1.430 4.582 0.276 146 HE1 TYR 20 1HE TYR 20 -0.062 9.043 -1.127 147 HE2 TYR 20 2HE TYR 20 1.398 6.407 1.895 148 HH TYR 20 HH TYR 20 -0.187 9.346 1.295 149 H THR 21 H THR 21 2.238 2.157 -1.990 150 HA THR 21 HA THR 21 1.276 0.417 -4.044 151 HB THR 21 HB THR 21 4.111 0.115 -3.176 152 HG1 THR 21 1HG THR 21 3.083 1.691 -5.146 153 HG21 THR 21 1HG2 THR 21 2.571 -1.222 -5.405 154 HG22 THR 21 2HG2 THR 21 3.056 -1.940 -3.871 155 HG23 THR 21 3HG2 THR 21 4.279 -1.503 -5.065 156 H CYS 22 H CYS 22 0.629 -1.475 -2.886 157 HA CYS 22 HA CYS 22 1.143 -1.097 -0.130 158 HB2 CYS 22 2HB CYS 22 -0.642 -2.765 0.196 159 HB3 CYS 22 1HB CYS 22 -1.158 -1.184 -0.400 160 H SER 23 H SER 23 1.962 -2.348 1.206 161 HA SER 23 HA SER 23 3.787 -4.305 0.233 162 HB2 SER 23 2HB SER 23 4.456 -2.765 2.043 163 HB3 SER 23 1HB SER 23 3.106 -3.309 3.019 164 HG SER 23 HG SER 23 5.118 -4.305 3.604 165 H ARG 24 H ARG 24 3.664 -6.489 0.770 166 HA ARG 24 HA ARG 24 0.969 -7.464 1.356 167 HB2 ARG 24 2HB ARG 24 2.661 -8.224 -0.524 168 HB3 ARG 24 1HB ARG 24 3.332 -9.161 0.807 169 HG2 ARG 24 2HG ARG 24 0.500 -9.386 -0.230 170 HG3 ARG 24 1HG ARG 24 1.799 -10.493 -0.634 171 HD2 ARG 24 2HD ARG 24 0.575 -9.990 2.051 172 HD3 ARG 24 1HD ARG 24 0.361 -11.423 1.038 173 HE ARG 24 HE ARG 24 3.090 -11.104 1.505 174 HH11 ARG 24 1HH1 ARG 24 0.205 -12.086 3.308 175 HH12 ARG 24 2HH1 ARG 24 1.082 -12.799 4.582 176 HH21 ARG 24 1HH2 ARG 24 4.258 -12.058 3.253 177 HH22 ARG 24 2HH2 ARG 24 3.437 -12.792 4.558 178 H ARG 25 H ARG 25 4.283 -7.387 2.459 179 HA ARG 25 HA ARG 25 4.268 -9.177 4.587 180 HB2 ARG 25 2HB ARG 25 6.245 -8.025 3.559 181 HB3 ARG 25 1HB ARG 25 5.737 -6.548 4.369 182 HG2 ARG 25 2HG ARG 25 5.922 -7.830 6.507 183 HG3 ARG 25 1HG ARG 25 6.718 -9.085 5.540 184 HD2 ARG 25 2HD ARG 25 8.433 -7.723 6.518 185 HD3 ARG 25 1HD ARG 25 8.356 -7.370 4.790 186 HE ARG 25 HE ARG 25 6.725 -5.506 5.856 187 HH11 ARG 25 1HH1 ARG 25 10.127 -6.298 6.362 188 HH12 ARG 25 2HH1 ARG 25 10.503 -4.800 7.087 189 HH21 ARG 25 1HH2 ARG 25 7.199 -3.546 6.903 190 HH22 ARG 25 2HH2 ARG 25 8.788 -3.185 7.429 191 H ASP 26 H ASP 26 3.780 -5.703 4.453 192 HA ASP 26 HA ASP 26 2.918 -5.532 7.204 193 HB2 ASP 26 2HB ASP 26 3.166 -3.417 5.076 194 HB3 ASP 26 1HB ASP 26 2.987 -3.176 6.800 195 H ARG 27 H ARG 27 1.554 -5.891 4.038 196 HA ARG 27 HA ARG 27 -0.204 -5.318 3.037 197 HB2 ARG 27 2HB ARG 27 -1.016 -6.912 5.313 198 HB3 ARG 27 1HB ARG 27 -2.309 -6.038 4.470 199 HG2 ARG 27 2HG ARG 27 -1.567 -7.038 2.365 200 HG3 ARG 27 1HG ARG 27 -0.303 -7.902 3.234 201 HD2 ARG 27 2HD ARG 27 -1.877 -9.238 4.374 202 HD3 ARG 27 1HD ARG 27 -3.224 -8.211 3.874 203 HE ARG 27 HE ARG 27 -2.648 -8.967 1.540 204 HH11 ARG 27 1HH1 ARG 27 -2.092 -11.091 4.331 205 HH12 ARG 27 2HH1 ARG 27 -2.225 -12.507 3.393 206 HH21 ARG 27 1HH2 ARG 27 -2.842 -10.864 0.351 207 HH22 ARG 27 2HH2 ARG 27 -2.623 -12.399 1.089 208 H TRP 28 H TRP 28 0.721 -3.030 4.364 209 HA TRP 28 HA TRP 28 -1.792 -1.567 4.163 210 HB2 TRP 28 2HB TRP 28 -0.657 0.324 5.373 211 HB3 TRP 28 1HB TRP 28 -0.862 -1.122 6.320 212 HD1 TRP 28 HD TRP 28 2.162 -0.518 3.984 213 HE1 TRP 28 1HE TRP 28 4.288 -0.443 5.521 214 HE3 TRP 28 3HE TRP 28 -0.134 -0.720 8.448 215 HZ2 TRP 28 2HZ TRP 28 4.835 -0.441 8.295 216 HZ3 TRP 28 3HZ TRP 28 1.195 -0.670 10.515 217 HH2 TRP 28 HH TRP 28 3.645 -0.530 10.436 218 H CYS 29 H CYS 29 -1.331 0.704 3.288 219 HA CYS 29 HA CYS 29 -0.076 0.277 0.674 220 HB2 CYS 29 2HB CYS 29 -2.414 1.220 0.956 221 HB3 CYS 29 1HB CYS 29 -1.676 2.621 1.717 222 H LYS 30 H LYS 30 2.019 0.509 0.744 223 HA LYS 30 HA LYS 30 3.206 2.248 2.694 224 HB2 LYS 30 2HB LYS 30 3.893 -0.147 2.225 225 HB3 LYS 30 1HB LYS 30 4.453 0.402 0.656 226 HG2 LYS 30 2HG LYS 30 5.990 1.946 1.812 227 HG3 LYS 30 1HG LYS 30 5.438 1.229 3.340 228 HD2 LYS 30 2HD LYS 30 6.218 -0.961 2.618 229 HD3 LYS 30 1HD LYS 30 6.771 -0.276 1.090 230 HE2 LYS 30 2HE LYS 30 8.321 1.186 2.351 231 HE3 LYS 30 1HE LYS 30 7.795 0.414 3.844 232 HZ1 LYS 30 1HZ LYS 30 9.813 -0.609 3.120 233 HZ2 LYS 30 2HZ LYS 30 9.210 -0.868 1.579 234 HZ3 LYS 30 3HZ LYS 30 8.566 -1.714 2.881 235 H TYR 31 H TYR 31 4.422 4.035 2.061 236 HA TYR 31 HA TYR 31 3.803 5.174 -0.485 237 HB2 TYR 31 2HB TYR 31 4.267 6.436 1.697 238 HB3 TYR 31 1HB TYR 31 5.962 6.052 1.396 239 HD1 TYR 31 1HD TYR 31 3.047 7.588 -0.278 240 HD2 TYR 31 2HD TYR 31 7.253 7.587 0.224 241 HE1 TYR 31 1HE TYR 31 3.187 9.591 -1.656 242 HE2 TYR 31 2HE TYR 31 7.425 9.610 -1.169 243 HH TYR 31 HH TYR 31 6.098 10.791 -2.895 244 H TYR 32 H TYR 32 4.947 4.952 -2.279 245 HA TYR 32 HA TYR 32 7.199 3.168 -2.168 246 HB2 TYR 32 2HB TYR 32 5.476 2.770 -3.866 247 HB3 TYR 32 1HB TYR 32 5.763 4.373 -4.541 248 HD1 TYR 32 1HD TYR 32 7.467 1.187 -3.786 249 HD2 TYR 32 2HD TYR 32 7.347 4.652 -6.210 250 HE1 TYR 32 1HE TYR 32 9.253 0.254 -5.169 251 HE2 TYR 32 2HE TYR 32 9.131 3.757 -7.622 252 HH TYR 32 HH TYR 32 10.917 2.146 -7.523 253 H LEU 33 H LEU 33 9.216 3.745 -2.423 254 HA LEU 33 HA LEU 33 9.767 6.577 -2.750 255 HB2 LEU 33 2HB LEU 33 11.640 4.335 -1.937 256 HB3 LEU 33 1HB LEU 33 12.065 6.026 -2.027 257 HG LEU 33 HG LEU 33 11.830 5.600 0.241 258 HD11 LEU 33 1HD1 LEU 33 10.746 7.645 -0.335 259 HD12 LEU 33 2HD1 LEU 33 9.907 6.874 1.009 260 HD13 LEU 33 3HD1 LEU 33 9.224 6.799 -0.612 261 HD21 LEU 33 1HD2 LEU 33 10.766 3.422 0.156 262 HD22 LEU 33 2HD2 LEU 33 9.239 4.164 -0.315 263 HD23 LEU 33 3HD2 LEU 33 9.910 4.471 1.287 264 HN1 NH2 34 1H LEU 33 9.546 6.884 -4.892 265 HN2 NH2 34 2H LEU 33 10.492 6.094 -6.104 Start of MODEL 8 1 H1 ASP 1 1HT ASP 1 -12.368 4.160 -5.871 2 H2 ASP 1 2HT ASP 1 -11.581 3.126 -4.752 3 H3 ASP 1 3HT ASP 1 -10.941 3.343 -6.295 4 HA ASP 1 HA ASP 1 -10.514 5.636 -5.850 5 HB2 ASP 1 2HB ASP 1 -11.481 4.884 -3.089 6 HB3 ASP 1 1HB ASP 1 -10.583 6.352 -3.439 7 H CYS 2 H CYS 2 -8.634 6.223 -4.122 8 HA CYS 2 HA CYS 2 -7.017 3.810 -4.069 9 HB2 CYS 2 2HB CYS 2 -5.120 5.284 -3.619 10 HB3 CYS 2 1HB CYS 2 -5.874 5.633 -5.146 11 H LEU 3 H LEU 3 -5.365 4.074 -2.149 12 HA LEU 3 HA LEU 3 -7.014 4.304 0.268 13 HB2 LEU 3 2HB LEU 3 -4.748 2.417 -0.315 14 HB3 LEU 3 1HB LEU 3 -5.578 2.553 1.220 15 HG LEU 3 HG LEU 3 -6.779 1.602 -1.369 16 HD11 LEU 3 1HD1 LEU 3 -6.880 -0.570 -0.214 17 HD12 LEU 3 2HD1 LEU 3 -6.023 0.135 1.158 18 HD13 LEU 3 3HD1 LEU 3 -5.228 0.011 -0.412 19 HD21 LEU 3 1HD2 LEU 3 -7.978 1.766 1.397 20 HD22 LEU 3 2HD2 LEU 3 -8.730 1.005 -0.005 21 HD23 LEU 3 3HD2 LEU 3 -8.436 2.743 0.001 22 H GLY 4 H GLY 4 -5.695 4.757 2.226 23 HA2 GLY 4 2HA GLY 4 -3.516 6.390 1.464 24 HA3 GLY 4 1HA GLY 4 -4.401 6.520 3.004 25 H TRP 5 H TRP 5 -2.213 6.301 3.838 26 HA TRP 5 HA TRP 5 -0.515 4.230 3.246 27 HB2 TRP 5 2HB TRP 5 0.303 6.303 4.201 28 HB3 TRP 5 1HB TRP 5 -0.557 5.973 5.689 29 HD1 TRP 5 HD TRP 5 0.916 2.757 5.153 30 HE1 TRP 5 1HE TRP 5 3.194 2.490 6.281 31 HE3 TRP 5 3HE TRP 5 1.950 7.684 5.952 32 HZ2 TRP 5 2HZ TRP 5 5.197 4.182 7.372 33 HZ3 TRP 5 3HZ TRP 5 4.070 8.279 7.039 34 HH2 TRP 5 HH TRP 5 5.655 6.570 7.733 35 H PHE 6 H PHE 6 -2.080 4.624 6.245 36 HA PHE 6 HA PHE 6 -1.495 1.862 6.995 37 HB2 PHE 6 2HB PHE 6 -2.899 4.075 8.475 38 HB3 PHE 6 1HB PHE 6 -2.489 2.509 9.201 39 HD1 PHE 6 1HD PHE 6 0.088 1.952 9.035 40 HD2 PHE 6 2HD PHE 6 -1.580 5.854 8.812 41 HE1 PHE 6 1HE PHE 6 2.223 2.910 9.757 42 HE2 PHE 6 2HE PHE 6 0.551 6.814 9.525 43 HZ PHE 6 HZ PHE 6 2.448 5.348 10.002 44 H LYS 7 H LYS 7 -3.417 2.346 4.880 45 HA LYS 7 HA LYS 7 -5.784 1.056 6.026 46 HB2 LYS 7 2HB LYS 7 -5.188 1.864 3.190 47 HB3 LYS 7 1HB LYS 7 -6.679 1.177 3.753 48 HG2 LYS 7 2HG LYS 7 -5.633 3.840 4.694 49 HG3 LYS 7 1HG LYS 7 -6.841 3.630 3.422 50 HD2 LYS 7 2HD LYS 7 -8.312 2.492 5.013 51 HD3 LYS 7 1HD LYS 7 -7.110 2.709 6.285 52 HE2 LYS 7 2HE LYS 7 -7.330 5.129 6.075 53 HE3 LYS 7 1HE LYS 7 -8.523 4.921 4.794 54 HZ1 LYS 7 1HZ LYS 7 -9.979 3.839 6.361 55 HZ2 LYS 7 2HZ LYS 7 -9.517 5.347 6.977 56 HZ3 LYS 7 3HZ LYS 7 -8.807 3.947 7.574 57 H SER 8 H SER 8 -6.319 -1.090 5.295 58 HA SER 8 HA SER 8 -3.996 -2.594 4.780 59 HB2 SER 8 2HB SER 8 -6.845 -3.351 5.069 60 HB3 SER 8 1HB SER 8 -5.438 -4.383 5.190 61 HG SER 8 HG SER 8 -5.052 -2.396 6.878 62 H CYS 9 H CYS 9 -3.662 -3.636 2.996 63 HA CYS 9 HA CYS 9 -5.558 -3.562 0.799 64 HB2 CYS 9 2HB CYS 9 -4.271 -1.613 0.547 65 HB3 CYS 9 1HB CYS 9 -2.768 -2.523 0.745 66 H ASP 10 H ASP 10 -4.381 -4.723 -1.007 67 HA ASP 10 HA ASP 10 -2.761 -6.975 -0.072 68 HB2 ASP 10 2HB ASP 10 -5.244 -7.595 -0.101 69 HB3 ASP 10 1HB ASP 10 -5.155 -7.411 -1.849 70 HA PRO 11 HA PRO 11 -0.600 -5.166 -3.591 71 HB2 PRO 11 2HB PRO 11 0.976 -7.526 -3.855 72 HB3 PRO 11 1HB PRO 11 1.438 -6.002 -3.089 73 HG2 PRO 11 2HG PRO 11 0.326 -8.483 -1.878 74 HG3 PRO 11 1HG PRO 11 1.479 -7.322 -1.178 75 HD2 PRO 11 2HD PRO 11 -0.988 -7.481 -0.368 76 HD3 PRO 11 1HD PRO 11 -0.243 -5.881 -0.571 77 H LYS 12 H LYS 12 -2.045 -8.375 -3.679 78 HA LYS 12 HA LYS 12 -1.817 -8.704 -6.515 79 HB2 LYS 12 2HB LYS 12 -3.827 -9.945 -4.643 80 HB3 LYS 12 1HB LYS 12 -3.555 -10.433 -6.305 81 HG2 LYS 12 2HG LYS 12 -1.214 -11.058 -5.665 82 HG3 LYS 12 1HG LYS 12 -1.646 -10.669 -4.002 83 HD2 LYS 12 2HD LYS 12 -1.787 -13.072 -4.398 84 HD3 LYS 12 1HD LYS 12 -3.369 -12.400 -4.020 85 HE2 LYS 12 2HE LYS 12 -3.513 -14.024 -5.821 86 HE3 LYS 12 1HE LYS 12 -3.942 -12.428 -6.415 87 HZ1 LYS 12 1HZ LYS 12 -1.712 -12.250 -7.385 88 HZ2 LYS 12 2HZ LYS 12 -2.525 -13.611 -7.951 89 HZ3 LYS 12 3HZ LYS 12 -1.320 -13.782 -6.782 90 H ASN 13 H ASN 13 -3.874 -7.023 -4.477 91 HA ASN 13 HA ASN 13 -5.615 -6.196 -6.695 92 HB2 ASN 13 2HB ASN 13 -6.665 -7.923 -5.231 93 HB3 ASN 13 1HB ASN 13 -6.421 -6.875 -3.859 94 HD21 ASN 13 1HD2 ASN 13 -8.633 -6.954 -3.477 95 HD22 ASN 13 2HD2 ASN 13 -9.777 -6.025 -4.361 96 H ASP 14 H ASP 14 -3.410 -4.938 -6.035 97 HA ASP 14 HA ASP 14 -3.276 -3.134 -3.920 98 HB2 ASP 14 2HB ASP 14 -1.394 -3.586 -5.421 99 HB3 ASP 14 1HB ASP 14 -2.235 -2.723 -6.715 100 H LYS 15 H LYS 15 -4.210 -1.369 -3.450 101 HA LYS 15 HA LYS 15 -5.940 0.018 -5.385 102 HB2 LYS 15 2HB LYS 15 -6.310 -0.492 -2.449 103 HB3 LYS 15 1HB LYS 15 -7.295 0.596 -3.399 104 HG2 LYS 15 2HG LYS 15 -8.104 -1.294 -4.721 105 HG3 LYS 15 1HG LYS 15 -7.058 -2.384 -3.803 106 HD2 LYS 15 2HD LYS 15 -8.241 -1.780 -1.743 107 HD3 LYS 15 1HD LYS 15 -9.286 -0.698 -2.659 108 HE2 LYS 15 2HE LYS 15 -10.142 -2.600 -3.930 109 HE3 LYS 15 1HE LYS 15 -9.076 -3.684 -3.036 110 HZ1 LYS 15 1HZ LYS 15 -10.232 -3.092 -1.005 111 HZ2 LYS 15 2HZ LYS 15 -11.321 -3.693 -2.127 112 HZ3 LYS 15 3HZ LYS 15 -11.243 -2.041 -1.838 113 H CYS 16 H CYS 16 -3.075 0.417 -4.461 114 HA CYS 16 HA CYS 16 -3.197 2.525 -2.602 115 HB2 CYS 16 2HB CYS 16 -1.032 1.154 -4.031 116 HB3 CYS 16 1HB CYS 16 -0.713 2.750 -3.340 117 H CYS 17 H CYS 17 -2.276 4.563 -2.816 118 HA CYS 17 HA CYS 17 -3.421 5.830 -5.144 119 HB2 CYS 17 2HB CYS 17 -3.571 6.430 -2.508 120 HB3 CYS 17 1HB CYS 17 -2.210 7.422 -2.975 121 H LYS 18 H LYS 18 -1.896 8.129 -5.027 122 HA LYS 18 HA LYS 18 0.264 7.481 -6.774 123 HB2 LYS 18 2HB LYS 18 -1.137 9.500 -6.883 124 HB3 LYS 18 1HB LYS 18 -0.364 10.064 -5.404 125 HG2 LYS 18 2HG LYS 18 1.787 9.943 -6.478 126 HG3 LYS 18 1HG LYS 18 1.004 9.377 -7.956 127 HD2 LYS 18 2HD LYS 18 0.479 11.988 -6.618 128 HD3 LYS 18 1HD LYS 18 1.586 11.761 -7.989 129 HE2 LYS 18 2HE LYS 18 -0.322 10.946 -9.337 130 HE3 LYS 18 1HE LYS 18 -1.386 11.238 -7.964 131 HZ1 LYS 18 1HZ LYS 18 -0.890 13.575 -8.098 132 HZ2 LYS 18 2HZ LYS 18 -1.499 13.011 -9.562 133 HZ3 LYS 18 3HZ LYS 18 0.157 13.311 -9.403 134 H ASN 19 H ASN 19 2.213 6.947 -6.378 135 HA ASN 19 HA ASN 19 4.264 6.851 -5.508 136 HB2 ASN 19 2HB ASN 19 3.189 8.952 -3.693 137 HB3 ASN 19 1HB ASN 19 4.810 8.284 -3.440 138 HD21 ASN 19 1HD2 ASN 19 5.822 10.248 -3.872 139 HD22 ASN 19 2HD2 ASN 19 5.864 10.961 -5.443 140 H TYR 20 H TYR 20 1.782 5.427 -4.413 141 HA TYR 20 HA TYR 20 3.223 4.108 -2.234 142 HB2 TYR 20 2HB TYR 20 0.286 4.647 -2.468 143 HB3 TYR 20 1HB TYR 20 0.982 3.505 -1.369 144 HD1 TYR 20 1HD TYR 20 2.136 4.209 0.632 145 HD2 TYR 20 2HD TYR 20 0.559 7.090 -2.050 146 HE1 TYR 20 1HE TYR 20 2.384 5.908 2.351 147 HE2 TYR 20 2HE TYR 20 0.798 8.811 -0.336 148 HH TYR 20 HH TYR 20 0.885 8.871 2.201 149 H THR 21 H THR 21 2.550 1.854 -1.919 150 HA THR 21 HA THR 21 1.175 0.427 -3.936 151 HB THR 21 HB THR 21 3.219 -1.111 -3.879 152 HG1 THR 21 1HG THR 21 4.289 1.286 -3.025 153 HG21 THR 21 1HG2 THR 21 3.236 1.352 -5.627 154 HG22 THR 21 2HG2 THR 21 2.419 -0.173 -5.975 155 HG23 THR 21 3HG2 THR 21 4.182 -0.100 -5.955 156 H CYS 22 H CYS 22 0.298 -1.484 -2.788 157 HA CYS 22 HA CYS 22 0.919 -1.240 -0.061 158 HB2 CYS 22 2HB CYS 22 -0.851 -2.936 0.241 159 HB3 CYS 22 1HB CYS 22 -1.362 -1.344 -0.325 160 H SER 23 H SER 23 1.762 -2.450 1.265 161 HA SER 23 HA SER 23 3.802 -4.220 0.356 162 HB2 SER 23 2HB SER 23 4.217 -2.599 2.118 163 HB3 SER 23 1HB SER 23 2.886 -3.235 3.069 164 HG SER 23 HG SER 23 5.082 -3.842 3.667 165 H ARG 24 H ARG 24 4.075 -6.355 1.311 166 HA ARG 24 HA ARG 24 1.548 -7.745 1.874 167 HB2 ARG 24 2HB ARG 24 2.753 -8.575 -0.024 168 HB3 ARG 24 1HB ARG 24 4.210 -8.740 0.961 169 HG2 ARG 24 2HG ARG 24 3.189 -10.943 0.574 170 HG3 ARG 24 1HG ARG 24 3.125 -10.504 2.277 171 HD2 ARG 24 2HD ARG 24 1.027 -11.486 1.671 172 HD3 ARG 24 1HD ARG 24 0.766 -9.759 1.929 173 HE ARG 24 HE ARG 24 1.285 -10.330 -0.781 174 HH11 ARG 24 1HH1 ARG 24 -1.255 -10.754 1.669 175 HH12 ARG 24 2HH1 ARG 24 -2.539 -10.515 0.548 176 HH21 ARG 24 1HH2 ARG 24 -0.548 -10.139 -2.292 177 HH22 ARG 24 2HH2 ARG 24 -2.149 -10.185 -1.711 178 H ARG 25 H ARG 25 4.700 -6.913 3.016 179 HA ARG 25 HA ARG 25 4.880 -8.611 5.250 180 HB2 ARG 25 2HB ARG 25 6.769 -7.367 4.278 181 HB3 ARG 25 1HB ARG 25 5.992 -5.859 4.728 182 HG2 ARG 25 2HG ARG 25 6.111 -6.566 7.071 183 HG3 ARG 25 1HG ARG 25 7.078 -7.955 6.527 184 HD2 ARG 25 2HD ARG 25 8.520 -6.118 7.308 185 HD3 ARG 25 1HD ARG 25 8.740 -6.431 5.584 186 HE ARG 25 HE ARG 25 6.809 -4.369 6.229 187 HH11 ARG 25 1HH1 ARG 25 10.219 -4.967 5.485 188 HH12 ARG 25 2HH1 ARG 25 10.468 -3.388 4.888 189 HH21 ARG 25 1HH2 ARG 25 7.134 -2.348 5.387 190 HH22 ARG 25 2HH2 ARG 25 8.687 -1.846 4.810 191 H ASP 26 H ASP 26 3.944 -5.298 4.738 192 HA ASP 26 HA ASP 26 2.895 -5.017 7.424 193 HB2 ASP 26 2HB ASP 26 2.975 -3.000 5.221 194 HB3 ASP 26 1HB ASP 26 2.884 -2.747 6.952 195 H ARG 27 H ARG 27 1.856 -5.590 4.139 196 HA ARG 27 HA ARG 27 0.085 -5.310 2.964 197 HB2 ARG 27 2HB ARG 27 -1.392 -6.190 5.441 198 HB3 ARG 27 1HB ARG 27 -1.901 -6.229 3.745 199 HG2 ARG 27 2HG ARG 27 -0.100 -7.769 3.232 200 HG3 ARG 27 1HG ARG 27 0.314 -7.831 4.947 201 HD2 ARG 27 2HD ARG 27 -1.056 -9.720 4.480 202 HD3 ARG 27 1HD ARG 27 -2.035 -8.567 5.383 203 HE ARG 27 HE ARG 27 -2.201 -8.565 2.466 204 HH11 ARG 27 1HH1 ARG 27 -3.809 -9.123 5.590 205 HH12 ARG 27 2HH1 ARG 27 -5.306 -9.501 4.923 206 HH21 ARG 27 1HH2 ARG 27 -4.344 -9.171 1.523 207 HH22 ARG 27 2HH2 ARG 27 -5.615 -9.507 2.586 208 H TRP 28 H TRP 28 0.811 -2.882 4.582 209 HA TRP 28 HA TRP 28 -1.726 -1.566 4.107 210 HB2 TRP 28 2HB TRP 28 -0.831 0.383 5.386 211 HB3 TRP 28 1HB TRP 28 -0.933 -1.084 6.316 212 HD1 TRP 28 HD TRP 28 2.137 -0.218 4.134 213 HE1 TRP 28 1HE TRP 28 4.156 0.106 5.774 214 HE3 TRP 28 3HE TRP 28 -0.362 -0.522 8.509 215 HZ2 TRP 28 2HZ TRP 28 4.558 0.251 8.540 216 HZ3 TRP 28 3HZ TRP 28 0.862 -0.270 10.619 217 HH2 TRP 28 HH TRP 28 3.291 0.115 10.630 218 H CYS 29 H CYS 29 -1.197 0.815 3.349 219 HA CYS 29 HA CYS 29 -0.033 0.399 0.721 220 HB2 CYS 29 2HB CYS 29 -2.278 1.498 1.234 221 HB3 CYS 29 1HB CYS 29 -1.362 2.839 1.893 222 H LYS 30 H LYS 30 2.141 0.409 0.878 223 HA LYS 30 HA LYS 30 3.434 2.208 2.721 224 HB2 LYS 30 2HB LYS 30 3.969 -0.240 2.585 225 HB3 LYS 30 1HB LYS 30 4.561 0.040 0.956 226 HG2 LYS 30 2HG LYS 30 6.195 1.615 1.855 227 HG3 LYS 30 1HG LYS 30 5.626 1.230 3.483 228 HD2 LYS 30 2HD LYS 30 7.607 -0.072 3.093 229 HD3 LYS 30 1HD LYS 30 6.228 -1.163 3.030 230 HE2 LYS 30 2HE LYS 30 7.776 -1.662 1.238 231 HE3 LYS 30 1HE LYS 30 6.267 -1.055 0.567 232 HZ1 LYS 30 1HZ LYS 30 7.391 1.154 0.265 233 HZ2 LYS 30 2HZ LYS 30 8.196 -0.095 -0.528 234 HZ3 LYS 30 3HZ LYS 30 8.797 0.466 0.905 235 H TYR 31 H TYR 31 5.011 3.650 1.968 236 HA TYR 31 HA TYR 31 4.450 4.894 -0.504 237 HB2 TYR 31 2HB TYR 31 5.469 5.880 1.693 238 HB3 TYR 31 1HB TYR 31 6.988 5.279 1.038 239 HD1 TYR 31 1HD TYR 31 4.379 7.792 0.741 240 HD2 TYR 31 2HD TYR 31 7.970 6.307 -0.993 241 HE1 TYR 31 1HE TYR 31 4.608 9.861 -0.538 242 HE2 TYR 31 2HE TYR 31 8.207 8.377 -2.277 243 HH TYR 31 HH TYR 31 6.470 11.143 -1.590 244 H TYR 32 H TYR 32 5.504 4.770 -2.383 245 HA TYR 32 HA TYR 32 7.213 2.481 -2.795 246 HB2 TYR 32 2HB TYR 32 5.385 2.664 -4.327 247 HB3 TYR 32 1HB TYR 32 5.773 4.346 -4.664 248 HD1 TYR 32 1HD TYR 32 7.160 0.921 -5.011 249 HD2 TYR 32 2HD TYR 32 7.073 4.883 -6.488 250 HE1 TYR 32 1HE TYR 32 8.525 0.221 -6.946 251 HE2 TYR 32 2HE TYR 32 8.430 4.220 -8.416 252 HH TYR 32 HH TYR 32 10.086 2.402 -8.918 253 H LEU 33 H LEU 33 9.301 2.611 -3.220 254 HA LEU 33 HA LEU 33 10.597 5.205 -3.207 255 HB2 LEU 33 2HB LEU 33 11.721 2.399 -3.174 256 HB3 LEU 33 1HB LEU 33 12.735 3.809 -3.330 257 HG LEU 33 HG LEU 33 11.888 4.562 -1.080 258 HD11 LEU 33 1HD1 LEU 33 9.837 3.313 -0.949 259 HD12 LEU 33 2HD1 LEU 33 10.903 2.866 0.389 260 HD13 LEU 33 3HD1 LEU 33 10.731 1.797 -1.004 261 HD21 LEU 33 1HD2 LEU 33 13.312 1.916 -1.206 262 HD22 LEU 33 2HD2 LEU 33 13.301 3.011 0.175 263 HD23 LEU 33 3HD2 LEU 33 14.055 3.509 -1.340 264 HN1 NH2 34 1H LEU 33 10.167 6.101 -5.104 265 HN2 NH2 34 2H LEU 33 10.631 5.463 -6.646 Start of MODEL 9 1 H1 ASP 1 1HT ASP 1 -8.944 9.916 -2.839 2 H2 ASP 1 2HT ASP 1 -10.031 9.383 -1.696 3 H3 ASP 1 3HT ASP 1 -10.612 10.129 -3.089 4 HA ASP 1 HA ASP 1 -10.894 7.720 -3.199 5 HB2 ASP 1 2HB ASP 1 -8.538 8.589 -4.908 6 HB3 ASP 1 1HB ASP 1 -9.587 7.224 -5.230 7 H CYS 2 H CYS 2 -9.143 5.827 -3.925 8 HA CYS 2 HA CYS 2 -7.749 4.260 -3.139 9 HB2 CYS 2 2HB CYS 2 -5.480 4.919 -3.039 10 HB3 CYS 2 1HB CYS 2 -6.226 5.850 -4.288 11 H LEU 3 H LEU 3 -5.694 4.412 -1.350 12 HA LEU 3 HA LEU 3 -7.204 4.067 1.118 13 HB2 LEU 3 2HB LEU 3 -4.692 2.907 0.033 14 HB3 LEU 3 1HB LEU 3 -5.257 2.595 1.673 15 HG LEU 3 HG LEU 3 -6.579 1.759 -0.915 16 HD11 LEU 3 1HD1 LEU 3 -5.283 0.197 1.292 17 HD12 LEU 3 2HD1 LEU 3 -4.643 0.448 -0.334 18 HD13 LEU 3 3HD1 LEU 3 -6.118 -0.492 -0.097 19 HD21 LEU 3 1HD2 LEU 3 -8.198 0.574 0.503 20 HD22 LEU 3 2HD2 LEU 3 -8.295 2.318 0.714 21 HD23 LEU 3 3HD2 LEU 3 -7.488 1.324 1.933 22 H GLY 4 H GLY 4 -5.667 4.332 3.010 23 HA2 GLY 4 2HA GLY 4 -4.291 6.757 2.494 24 HA3 GLY 4 1HA GLY 4 -4.699 6.185 4.136 25 H TRP 5 H TRP 5 -3.096 5.035 5.253 26 HA TRP 5 HA TRP 5 -0.888 4.108 3.723 27 HB2 TRP 5 2HB TRP 5 -0.566 6.227 5.130 28 HB3 TRP 5 1HB TRP 5 -0.691 5.146 6.504 29 HD1 TRP 5 HD TRP 5 1.058 2.786 5.883 30 HE1 TRP 5 1HE TRP 5 3.609 2.952 5.463 31 HE3 TRP 5 3HE TRP 5 1.298 7.692 4.568 32 HZ2 TRP 5 2HZ TRP 5 5.456 4.947 4.661 33 HZ3 TRP 5 3HZ TRP 5 3.485 8.663 3.992 34 HH2 TRP 5 HH TRP 5 5.509 7.321 4.038 35 H PHE 6 H PHE 6 -1.984 3.914 6.962 36 HA PHE 6 HA PHE 6 -1.230 1.090 7.096 37 HB2 PHE 6 2HB PHE 6 -2.464 2.845 9.244 38 HB3 PHE 6 1HB PHE 6 -1.759 1.247 9.489 39 HD1 PHE 6 1HD PHE 6 -1.219 4.704 9.575 40 HD2 PHE 6 2HD PHE 6 0.717 1.007 8.780 41 HE1 PHE 6 1HE PHE 6 0.953 5.753 9.982 42 HE2 PHE 6 2HE PHE 6 2.892 2.056 9.190 43 HZ PHE 6 HZ PHE 6 3.004 4.428 9.795 44 H LYS 7 H LYS 7 -3.317 1.700 5.363 45 HA LYS 7 HA LYS 7 -5.549 0.291 6.601 46 HB2 LYS 7 2HB LYS 7 -5.371 1.366 3.823 47 HB3 LYS 7 1HB LYS 7 -6.787 0.805 4.644 48 HG2 LYS 7 2HG LYS 7 -5.298 3.333 5.354 49 HG3 LYS 7 1HG LYS 7 -6.857 3.235 4.537 50 HD2 LYS 7 2HD LYS 7 -7.753 2.060 6.573 51 HD3 LYS 7 1HD LYS 7 -6.215 2.392 7.361 52 HE2 LYS 7 2HE LYS 7 -6.560 4.794 7.042 53 HE3 LYS 7 1HE LYS 7 -8.102 4.464 6.260 54 HZ1 LYS 7 1HZ LYS 7 -8.467 5.066 8.529 55 HZ2 LYS 7 2HZ LYS 7 -7.398 3.888 9.086 56 HZ3 LYS 7 3HZ LYS 7 -8.842 3.434 8.365 57 H SER 8 H SER 8 -5.906 -1.762 5.982 58 HA SER 8 HA SER 8 -3.777 -3.202 4.963 59 HB2 SER 8 2HB SER 8 -6.611 -4.036 5.374 60 HB3 SER 8 1HB SER 8 -5.141 -4.995 5.465 61 HG SER 8 HG SER 8 -6.275 -3.960 7.477 62 H CYS 9 H CYS 9 -3.648 -4.152 3.049 63 HA CYS 9 HA CYS 9 -5.711 -3.811 1.043 64 HB2 CYS 9 2HB CYS 9 -4.537 -1.804 0.835 65 HB3 CYS 9 1HB CYS 9 -2.990 -2.676 0.850 66 H ASP 10 H ASP 10 -5.006 -4.776 -0.884 67 HA ASP 10 HA ASP 10 -3.395 -7.159 -0.322 68 HB2 ASP 10 2HB ASP 10 -5.883 -7.620 -0.527 69 HB3 ASP 10 1HB ASP 10 -5.728 -7.153 -2.221 70 HA PRO 11 HA PRO 11 -0.795 -5.261 -3.243 71 HB2 PRO 11 2HB PRO 11 0.502 -7.645 -3.935 72 HB3 PRO 11 1HB PRO 11 1.020 -6.492 -2.692 73 HG2 PRO 11 2HG PRO 11 -0.453 -9.061 -2.426 74 HG3 PRO 11 1HG PRO 11 0.643 -8.254 -1.290 75 HD2 PRO 11 2HD PRO 11 -1.986 -8.349 -0.946 76 HD3 PRO 11 1HD PRO 11 -1.006 -6.969 -0.406 77 H LYS 12 H LYS 12 -2.646 -8.078 -4.122 78 HA LYS 12 HA LYS 12 -2.145 -7.628 -6.960 79 HB2 LYS 12 2HB LYS 12 -3.758 -9.756 -5.550 80 HB3 LYS 12 1HB LYS 12 -3.494 -9.686 -7.287 81 HG2 LYS 12 2HG LYS 12 -1.098 -9.952 -6.954 82 HG3 LYS 12 1HG LYS 12 -1.333 -9.973 -5.207 83 HD2 LYS 12 2HD LYS 12 -2.668 -12.006 -5.404 84 HD3 LYS 12 1HD LYS 12 -2.482 -11.959 -7.158 85 HE2 LYS 12 2HE LYS 12 -0.077 -12.223 -6.935 86 HE3 LYS 12 1HE LYS 12 -0.217 -12.216 -5.179 87 HZ1 LYS 12 1HZ LYS 12 -0.014 -14.457 -6.077 88 HZ2 LYS 12 2HZ LYS 12 -1.418 -14.271 -6.976 89 HZ3 LYS 12 3HZ LYS 12 -1.477 -14.262 -5.302 90 H ASN 13 H ASN 13 -4.183 -6.442 -4.689 91 HA ASN 13 HA ASN 13 -6.190 -5.642 -6.690 92 HB2 ASN 13 2HB ASN 13 -6.928 -7.531 -5.087 93 HB3 ASN 13 1HB ASN 13 -6.813 -6.328 -3.815 94 HD21 ASN 13 1HD2 ASN 13 -9.115 -7.785 -4.629 95 HD22 ASN 13 2HD2 ASN 13 -10.301 -6.651 -5.161 96 H ASP 14 H ASP 14 -3.987 -4.372 -6.090 97 HA ASP 14 HA ASP 14 -3.791 -2.718 -3.859 98 HB2 ASP 14 2HB ASP 14 -2.019 -3.163 -5.487 99 HB3 ASP 14 1HB ASP 14 -2.857 -2.102 -6.626 100 H LYS 15 H LYS 15 -4.825 -1.108 -3.238 101 HA LYS 15 HA LYS 15 -6.556 0.450 -5.034 102 HB2 LYS 15 2HB LYS 15 -6.869 -0.303 -2.146 103 HB3 LYS 15 1HB LYS 15 -7.852 0.905 -2.948 104 HG2 LYS 15 2HG LYS 15 -7.680 -2.022 -3.653 105 HG3 LYS 15 1HG LYS 15 -9.011 -1.233 -2.804 106 HD2 LYS 15 2HD LYS 15 -9.346 0.208 -4.812 107 HD3 LYS 15 1HD LYS 15 -8.125 -0.752 -5.649 108 HE2 LYS 15 2HE LYS 15 -10.340 -1.524 -6.231 109 HE3 LYS 15 1HE LYS 15 -9.491 -2.761 -5.304 110 HZ1 LYS 15 1HZ LYS 15 -11.796 -2.455 -4.591 111 HZ2 LYS 15 2HZ LYS 15 -11.466 -0.854 -4.178 112 HZ3 LYS 15 3HZ LYS 15 -10.714 -2.117 -3.345 113 H CYS 16 H CYS 16 -3.687 0.862 -4.214 114 HA CYS 16 HA CYS 16 -3.839 3.153 -2.481 115 HB2 CYS 16 2HB CYS 16 -1.580 1.717 -3.813 116 HB3 CYS 16 1HB CYS 16 -1.382 3.194 -2.873 117 H CYS 17 H CYS 17 -3.024 5.220 -3.053 118 HA CYS 17 HA CYS 17 -3.711 6.043 -5.627 119 HB2 CYS 17 2HB CYS 17 -2.653 7.302 -3.164 120 HB3 CYS 17 1HB CYS 17 -2.383 8.141 -4.661 121 H LYS 18 H LYS 18 -2.029 7.664 -6.466 122 HA LYS 18 HA LYS 18 -0.067 6.108 -7.731 123 HB2 LYS 18 2HB LYS 18 -1.119 7.979 -8.829 124 HB3 LYS 18 1HB LYS 18 -0.486 9.079 -7.614 125 HG2 LYS 18 2HG LYS 18 0.813 9.291 -9.549 126 HG3 LYS 18 1HG LYS 18 1.741 8.474 -8.276 127 HD2 LYS 18 2HD LYS 18 1.363 6.316 -9.323 128 HD3 LYS 18 1HD LYS 18 0.357 7.055 -10.569 129 HE2 LYS 18 2HE LYS 18 3.309 7.492 -10.119 130 HE3 LYS 18 1HE LYS 18 2.572 6.598 -11.442 131 HZ1 LYS 18 1HZ LYS 18 1.513 8.676 -12.168 132 HZ2 LYS 18 2HZ LYS 18 3.189 8.811 -12.161 133 HZ3 LYS 18 3HZ LYS 18 2.289 9.506 -10.924 134 H ASN 19 H ASN 19 1.908 5.687 -7.158 135 HA ASN 19 HA ASN 19 3.936 5.692 -6.266 136 HB2 ASN 19 2HB ASN 19 3.840 8.165 -6.776 137 HB3 ASN 19 1HB ASN 19 3.436 8.432 -5.088 138 HD21 ASN 19 1HD2 ASN 19 4.996 8.206 -3.564 139 HD22 ASN 19 2HD2 ASN 19 6.661 7.918 -3.874 140 H TYR 20 H TYR 20 1.394 5.133 -4.920 141 HA TYR 20 HA TYR 20 2.640 4.334 -2.410 142 HB2 TYR 20 2HB TYR 20 -0.268 4.892 -2.986 143 HB3 TYR 20 1HB TYR 20 0.316 4.106 -1.546 144 HD1 TYR 20 1HD TYR 20 1.045 5.358 0.329 145 HD2 TYR 20 2HD TYR 20 0.434 7.328 -3.392 146 HE1 TYR 20 1HE TYR 20 1.324 7.527 1.434 147 HE2 TYR 20 2HE TYR 20 0.706 9.487 -2.307 148 HH TYR 20 HH TYR 20 0.514 10.459 -0.087 149 H THR 21 H THR 21 1.890 2.200 -1.813 150 HA THR 21 HA THR 21 0.685 0.517 -3.824 151 HB THR 21 HB THR 21 3.485 -0.032 -2.980 152 HG1 THR 21 1HG THR 21 2.588 1.675 -4.898 153 HG21 THR 21 1HG2 THR 21 1.825 -1.147 -5.232 154 HG22 THR 21 2HG2 THR 21 2.212 -1.951 -3.713 155 HG23 THR 21 3HG2 THR 21 3.491 -1.614 -4.884 156 H CYS 22 H CYS 22 -0.105 -1.282 -2.713 157 HA CYS 22 HA CYS 22 0.560 -1.200 0.030 158 HB2 CYS 22 2HB CYS 22 -1.140 -2.966 0.237 159 HB3 CYS 22 1HB CYS 22 -1.739 -1.352 -0.172 160 H SER 23 H SER 23 1.861 -2.274 0.962 161 HA SER 23 HA SER 23 3.522 -4.144 -0.437 162 HB2 SER 23 2HB SER 23 4.505 -2.451 1.036 163 HB3 SER 23 1HB SER 23 3.519 -3.001 2.370 164 HG SER 23 HG SER 23 5.549 -3.829 2.611 165 H ARG 24 H ARG 24 3.763 -6.357 0.216 166 HA ARG 24 HA ARG 24 1.376 -7.433 1.504 167 HB2 ARG 24 2HB ARG 24 2.668 -8.310 -0.638 168 HB3 ARG 24 1HB ARG 24 3.663 -9.082 0.591 169 HG2 ARG 24 2HG ARG 24 0.679 -9.533 0.206 170 HG3 ARG 24 1HG ARG 24 1.956 -10.639 -0.281 171 HD2 ARG 24 2HD ARG 24 1.267 -9.791 2.522 172 HD3 ARG 24 1HD ARG 24 0.841 -11.325 1.777 173 HE ARG 24 HE ARG 24 3.619 -10.968 1.605 174 HH11 ARG 24 1HH1 ARG 24 1.143 -11.785 3.996 175 HH12 ARG 24 2HH1 ARG 24 2.228 -12.576 5.049 176 HH21 ARG 24 1HH2 ARG 24 5.097 -12.059 3.062 177 HH22 ARG 24 2HH2 ARG 24 4.510 -12.723 4.517 178 H ARG 25 H ARG 25 4.801 -6.959 1.873 179 HA ARG 25 HA ARG 25 5.383 -8.533 4.096 180 HB2 ARG 25 2HB ARG 25 6.897 -7.124 2.517 181 HB3 ARG 25 1HB ARG 25 6.494 -5.769 3.548 182 HG2 ARG 25 2HG ARG 25 7.863 -8.285 4.447 183 HG3 ARG 25 1HG ARG 25 8.691 -6.808 3.992 184 HD2 ARG 25 2HD ARG 25 6.753 -7.118 6.289 185 HD3 ARG 25 1HD ARG 25 8.509 -7.091 6.422 186 HE ARG 25 HE ARG 25 7.051 -4.764 5.344 187 HH11 ARG 25 1HH1 ARG 25 9.321 -6.136 7.727 188 HH12 ARG 25 2HH1 ARG 25 9.573 -4.647 8.512 189 HH21 ARG 25 1HH2 ARG 25 7.372 -2.758 6.539 190 HH22 ARG 25 2HH2 ARG 25 8.491 -2.719 7.826 191 H ASP 26 H ASP 26 4.373 -5.160 3.800 192 HA ASP 26 HA ASP 26 3.960 -4.837 6.613 193 HB2 ASP 26 2HB ASP 26 3.356 -2.969 4.323 194 HB3 ASP 26 1HB ASP 26 3.431 -2.581 6.019 195 H ARG 27 H ARG 27 2.041 -5.671 3.775 196 HA ARG 27 HA ARG 27 0.004 -5.923 3.276 197 HB2 ARG 27 2HB ARG 27 -0.387 -6.341 6.234 198 HB3 ARG 27 1HB ARG 27 -1.555 -6.603 4.920 199 HG2 ARG 27 2HG ARG 27 0.818 -7.975 4.273 200 HG3 ARG 27 1HG ARG 27 0.353 -8.422 5.910 201 HD2 ARG 27 2HD ARG 27 -0.628 -9.904 4.209 202 HD3 ARG 27 1HD ARG 27 -1.851 -9.062 5.152 203 HE ARG 27 HE ARG 27 -1.546 -7.490 2.971 204 HH11 ARG 27 1HH1 ARG 27 -2.041 -10.974 3.217 205 HH12 ARG 27 2HH1 ARG 27 -3.129 -11.054 1.920 206 HH21 ARG 27 1HH2 ARG 27 -3.156 -7.574 1.309 207 HH22 ARG 27 2HH2 ARG 27 -3.764 -9.085 0.775 208 H TRP 28 H TRP 28 0.894 -3.111 4.205 209 HA TRP 28 HA TRP 28 -1.804 -2.093 4.054 210 HB2 TRP 28 2HB TRP 28 -1.134 -0.159 5.468 211 HB3 TRP 28 1HB TRP 28 -1.066 -1.694 6.266 212 HD1 TRP 28 HD TRP 28 1.684 0.198 4.288 213 HE1 TRP 28 1HE TRP 28 3.729 0.373 5.919 214 HE3 TRP 28 3HE TRP 28 -0.387 -1.995 8.256 215 HZ2 TRP 28 2HZ TRP 28 4.291 -0.356 8.587 216 HZ3 TRP 28 3HZ TRP 28 0.838 -2.240 10.305 217 HH2 TRP 28 HH TRP 28 3.182 -1.434 10.504 218 H CYS 29 H CYS 29 -1.659 0.302 3.443 219 HA CYS 29 HA CYS 29 -0.477 0.376 0.797 220 HB2 CYS 29 2HB CYS 29 -2.802 1.184 1.386 221 HB3 CYS 29 1HB CYS 29 -2.034 2.501 2.267 222 H LYS 30 H LYS 30 1.649 0.663 0.882 223 HA LYS 30 HA LYS 30 2.733 2.515 2.827 224 HB2 LYS 30 2HB LYS 30 3.344 0.126 2.848 225 HB3 LYS 30 1HB LYS 30 3.954 0.286 1.220 226 HG2 LYS 30 2HG LYS 30 5.677 1.704 1.931 227 HG3 LYS 30 1HG LYS 30 5.002 1.793 3.576 228 HD2 LYS 30 2HD LYS 30 5.276 -0.676 3.739 229 HD3 LYS 30 1HD LYS 30 6.091 -0.647 2.178 230 HE2 LYS 30 2HE LYS 30 7.868 0.694 3.087 231 HE3 LYS 30 1HE LYS 30 7.009 0.853 4.619 232 HZ1 LYS 30 1HZ LYS 30 7.146 -1.551 4.870 233 HZ2 LYS 30 2HZ LYS 30 8.677 -0.841 4.818 234 HZ3 LYS 30 3HZ LYS 30 8.083 -1.660 3.471 235 H TYR 31 H TYR 31 3.929 4.212 2.129 236 HA TYR 31 HA TYR 31 3.614 5.248 -0.471 237 HB2 TYR 31 2HB TYR 31 4.025 6.646 1.492 238 HB3 TYR 31 1HB TYR 31 5.619 5.905 1.653 239 HD1 TYR 31 1HD TYR 31 7.473 6.792 0.548 240 HD2 TYR 31 2HD TYR 31 3.575 8.123 -0.505 241 HE1 TYR 31 1HE TYR 31 8.459 8.594 -0.763 242 HE2 TYR 31 2HE TYR 31 4.552 9.934 -1.832 243 HH TYR 31 HH TYR 31 6.646 11.193 -1.918 244 H TYR 32 H TYR 32 4.747 4.975 -2.232 245 HA TYR 32 HA TYR 32 6.788 2.962 -2.266 246 HB2 TYR 32 2HB TYR 32 5.136 2.677 -3.890 247 HB3 TYR 32 1HB TYR 32 5.106 4.395 -4.255 248 HD1 TYR 32 1HD TYR 32 7.190 1.384 -4.580 249 HD2 TYR 32 2HD TYR 32 6.252 5.224 -6.008 250 HE1 TYR 32 1HE TYR 32 8.647 0.987 -6.538 251 HE2 TYR 32 2HE TYR 32 7.690 4.879 -7.989 252 HH TYR 32 HH TYR 32 8.877 1.823 -8.811 253 H LEU 33 H LEU 33 8.826 3.279 -2.630 254 HA LEU 33 HA LEU 33 9.798 6.011 -3.075 255 HB2 LEU 33 2HB LEU 33 11.189 3.626 -1.826 256 HB3 LEU 33 1HB LEU 33 12.055 5.059 -2.319 257 HG LEU 33 HG LEU 33 11.763 5.132 0.033 258 HD11 LEU 33 1HD1 LEU 33 10.547 7.207 0.375 259 HD12 LEU 33 2HD1 LEU 33 9.858 7.059 -1.241 260 HD13 LEU 33 3HD1 LEU 33 11.600 7.256 -1.038 261 HD21 LEU 33 1HD2 LEU 33 9.888 3.609 0.301 262 HD22 LEU 33 2HD2 LEU 33 8.798 4.798 -0.411 263 HD23 LEU 33 3HD2 LEU 33 9.571 5.127 1.141 264 HN1 NH2 34 1H LEU 33 11.532 3.031 -3.669 265 HN2 NH2 34 2H LEU 33 11.691 3.244 -5.373 Start of MODEL 10 1 H1 ASP 1 1HT ASP 1 -11.306 5.933 -6.287 2 H2 ASP 1 2HT ASP 1 -12.760 6.473 -5.646 3 H3 ASP 1 3HT ASP 1 -12.189 4.910 -5.306 4 HA ASP 1 HA ASP 1 -10.824 7.408 -4.500 5 HB2 ASP 1 2HB ASP 1 -11.440 6.844 -2.223 6 HB3 ASP 1 1HB ASP 1 -12.907 6.936 -3.186 7 H CYS 2 H CYS 2 -9.203 6.700 -2.671 8 HA CYS 2 HA CYS 2 -8.094 4.131 -3.374 9 HB2 CYS 2 2HB CYS 2 -5.805 5.155 -3.390 10 HB3 CYS 2 1HB CYS 2 -6.796 5.562 -4.768 11 H LEU 3 H LEU 3 -5.934 4.082 -1.879 12 HA LEU 3 HA LEU 3 -6.965 4.418 0.840 13 HB2 LEU 3 2HB LEU 3 -5.150 2.307 -0.286 14 HB3 LEU 3 1HB LEU 3 -5.628 2.434 1.391 15 HG LEU 3 HG LEU 3 -7.398 1.726 -0.948 16 HD11 LEU 3 1HD1 LEU 3 -5.934 -0.063 -0.231 17 HD12 LEU 3 2HD1 LEU 3 -7.608 -0.420 0.192 18 HD13 LEU 3 3HD1 LEU 3 -6.483 0.129 1.433 19 HD21 LEU 3 1HD2 LEU 3 -8.650 3.064 0.642 20 HD22 LEU 3 2HD2 LEU 3 -8.114 2.030 1.968 21 HD23 LEU 3 3HD2 LEU 3 -9.166 1.381 0.706 22 H GLY 4 H GLY 4 -5.564 5.383 2.281 23 HA2 GLY 4 2HA GLY 4 -3.123 6.255 1.154 24 HA3 GLY 4 1HA GLY 4 -3.836 6.812 2.682 25 H TRP 5 H TRP 5 -1.806 6.398 3.631 26 HA TRP 5 HA TRP 5 -0.334 4.087 3.268 27 HB2 TRP 5 2HB TRP 5 0.552 6.301 4.132 28 HB3 TRP 5 1HB TRP 5 -0.078 5.813 5.702 29 HD1 TRP 5 HD TRP 5 0.862 2.923 5.980 30 HE1 TRP 5 1HE TRP 5 3.340 2.262 6.112 31 HE3 TRP 5 3HE TRP 5 2.870 7.048 3.787 32 HZ2 TRP 5 2HZ TRP 5 5.849 3.381 5.369 33 HZ3 TRP 5 3HZ TRP 5 5.310 7.186 3.532 34 HH2 TRP 5 HH TRP 5 6.762 5.390 4.306 35 H PHE 6 H PHE 6 -2.013 4.928 6.105 36 HA PHE 6 HA PHE 6 -1.666 2.170 7.032 37 HB2 PHE 6 2HB PHE 6 -2.833 4.584 8.402 38 HB3 PHE 6 1HB PHE 6 -2.562 3.022 9.208 39 HD1 PHE 6 1HD PHE 6 -1.312 6.228 8.449 40 HD2 PHE 6 2HD PHE 6 -0.100 2.227 9.213 41 HE1 PHE 6 1HE PHE 6 0.933 7.024 9.019 42 HE2 PHE 6 2HE PHE 6 2.150 3.020 9.789 43 HZ PHE 6 HZ PHE 6 2.661 5.421 9.690 44 H LYS 7 H LYS 7 -3.138 2.112 4.955 45 HA LYS 7 HA LYS 7 -5.706 1.140 6.030 46 HB2 LYS 7 2HB LYS 7 -4.929 1.769 3.209 47 HB3 LYS 7 1HB LYS 7 -6.467 1.180 3.738 48 HG2 LYS 7 2HG LYS 7 -5.475 3.877 4.626 49 HG3 LYS 7 1HG LYS 7 -6.306 3.672 3.090 50 HD2 LYS 7 2HD LYS 7 -8.020 4.301 4.523 51 HD3 LYS 7 1HD LYS 7 -8.154 2.555 4.502 52 HE2 LYS 7 2HE LYS 7 -8.417 3.385 6.756 53 HE3 LYS 7 1HE LYS 7 -6.929 2.457 6.659 54 HZ1 LYS 7 1HZ LYS 7 -6.601 4.467 7.897 55 HZ2 LYS 7 2HZ LYS 7 -7.161 5.420 6.625 56 HZ3 LYS 7 3HZ LYS 7 -5.719 4.595 6.470 57 H SER 8 H SER 8 -6.009 -1.019 5.548 58 HA SER 8 HA SER 8 -3.577 -2.314 4.733 59 HB2 SER 8 2HB SER 8 -4.871 -3.228 6.630 60 HB3 SER 8 1HB SER 8 -6.170 -3.651 5.475 61 HG SER 8 HG SER 8 -3.488 -4.504 5.259 62 H CYS 9 H CYS 9 -3.467 -3.621 3.147 63 HA CYS 9 HA CYS 9 -5.411 -3.740 1.035 64 HB2 CYS 9 2HB CYS 9 -4.725 -1.543 0.736 65 HB3 CYS 9 1HB CYS 9 -3.015 -1.999 0.824 66 H ASP 10 H ASP 10 -4.271 -4.594 -0.887 67 HA ASP 10 HA ASP 10 -2.100 -6.412 -0.134 68 HB2 ASP 10 2HB ASP 10 -4.306 -7.597 0.047 69 HB3 ASP 10 1HB ASP 10 -4.500 -7.355 -1.687 70 HA PRO 11 HA PRO 11 -0.272 -4.742 -3.749 71 HB2 PRO 11 2HB PRO 11 1.105 -7.089 -4.445 72 HB3 PRO 11 1HB PRO 11 1.701 -5.777 -3.420 73 HG2 PRO 11 2HG PRO 11 0.444 -8.375 -2.621 74 HG3 PRO 11 1HG PRO 11 1.771 -7.469 -1.870 75 HD2 PRO 11 2HD PRO 11 -0.628 -7.482 -0.827 76 HD3 PRO 11 1HD PRO 11 0.329 -5.981 -0.849 77 H LYS 12 H LYS 12 -1.900 -7.859 -3.912 78 HA LYS 12 HA LYS 12 -1.975 -7.772 -6.818 79 HB2 LYS 12 2HB LYS 12 -3.115 -9.779 -4.870 80 HB3 LYS 12 1HB LYS 12 -3.112 -9.957 -6.620 81 HG2 LYS 12 2HG LYS 12 -0.641 -9.711 -4.916 82 HG3 LYS 12 1HG LYS 12 -1.318 -11.230 -5.507 83 HD2 LYS 12 2HD LYS 12 -0.953 -10.564 -7.782 84 HD3 LYS 12 1HD LYS 12 -0.446 -8.955 -7.286 85 HE2 LYS 12 2HE LYS 12 0.980 -11.505 -6.551 86 HE3 LYS 12 1HE LYS 12 1.434 -10.460 -7.895 87 HZ1 LYS 12 1HZ LYS 12 1.807 -8.669 -6.266 88 HZ2 LYS 12 2HZ LYS 12 2.792 -9.983 -6.030 89 HZ3 LYS 12 3HZ LYS 12 1.492 -9.749 -4.999 90 H ASN 13 H ASN 13 -3.683 -6.411 -4.378 91 HA ASN 13 HA ASN 13 -5.991 -5.990 -6.110 92 HB2 ASN 13 2HB ASN 13 -6.357 -7.800 -4.366 93 HB3 ASN 13 1HB ASN 13 -6.123 -6.569 -3.143 94 HD21 ASN 13 1HD2 ASN 13 -8.210 -7.668 -5.683 95 HD22 ASN 13 2HD2 ASN 13 -9.594 -6.754 -5.201 96 H ASP 14 H ASP 14 -3.855 -4.458 -5.917 97 HA ASP 14 HA ASP 14 -3.604 -2.568 -3.855 98 HB2 ASP 14 2HB ASP 14 -1.900 -2.913 -5.581 99 HB3 ASP 14 1HB ASP 14 -2.976 -2.145 -6.760 100 H LYS 15 H LYS 15 -4.701 -0.953 -3.282 101 HA LYS 15 HA LYS 15 -6.552 0.408 -5.120 102 HB2 LYS 15 2HB LYS 15 -6.873 -0.279 -2.212 103 HB3 LYS 15 1HB LYS 15 -7.839 0.927 -3.022 104 HG2 LYS 15 2HG LYS 15 -8.662 -0.897 -4.545 105 HG3 LYS 15 1HG LYS 15 -7.782 -2.050 -3.531 106 HD2 LYS 15 2HD LYS 15 -9.070 -1.364 -1.582 107 HD3 LYS 15 1HD LYS 15 -9.903 -0.142 -2.531 108 HE2 LYS 15 2HE LYS 15 -11.372 -2.006 -2.265 109 HE3 LYS 15 1HE LYS 15 -10.842 -1.968 -3.940 110 HZ1 LYS 15 1HZ LYS 15 -9.278 -3.774 -3.444 111 HZ2 LYS 15 2HZ LYS 15 -10.826 -4.214 -2.987 112 HZ3 LYS 15 3HZ LYS 15 -9.741 -3.725 -1.824 113 H CYS 16 H CYS 16 -3.728 0.920 -4.346 114 HA CYS 16 HA CYS 16 -3.797 2.967 -2.351 115 HB2 CYS 16 2HB CYS 16 -1.666 1.689 -3.950 116 HB3 CYS 16 1HB CYS 16 -1.367 3.173 -3.041 117 H CYS 17 H CYS 17 -3.078 5.129 -2.537 118 HA CYS 17 HA CYS 17 -3.973 6.434 -4.812 119 HB2 CYS 17 2HB CYS 17 -2.433 7.370 -2.390 120 HB3 CYS 17 1HB CYS 17 -3.225 8.399 -3.566 121 H LYS 18 H LYS 18 -2.290 8.364 -5.269 122 HA LYS 18 HA LYS 18 -0.390 7.379 -7.019 123 HB2 LYS 18 2HB LYS 18 -1.493 9.511 -7.277 124 HB3 LYS 18 1HB LYS 18 -0.734 10.104 -5.809 125 HG2 LYS 18 2HG LYS 18 0.397 10.999 -7.654 126 HG3 LYS 18 1HG LYS 18 1.422 9.790 -6.852 127 HD2 LYS 18 2HD LYS 18 0.889 8.151 -8.560 128 HD3 LYS 18 1HD LYS 18 -0.210 9.287 -9.344 129 HE2 LYS 18 2HE LYS 18 2.753 9.690 -8.994 130 HE3 LYS 18 1HE LYS 18 1.990 9.119 -10.476 131 HZ1 LYS 18 1HZ LYS 18 2.466 11.464 -10.571 132 HZ2 LYS 18 2HZ LYS 18 1.537 11.778 -9.205 133 HZ3 LYS 18 3HZ LYS 18 0.810 11.221 -10.620 134 H ASN 19 H ASN 19 1.582 6.755 -6.775 135 HA ASN 19 HA ASN 19 3.700 6.416 -6.119 136 HB2 ASN 19 2HB ASN 19 3.487 8.993 -5.613 137 HB3 ASN 19 1HB ASN 19 3.554 8.475 -3.942 138 HD21 ASN 19 1HD2 ASN 19 5.381 6.244 -4.625 139 HD22 ASN 19 2HD2 ASN 19 6.934 6.920 -4.865 140 H TYR 20 H TYR 20 1.183 5.562 -4.555 141 HA TYR 20 HA TYR 20 2.678 4.305 -2.385 142 HB2 TYR 20 2HB TYR 20 -0.250 4.903 -2.637 143 HB3 TYR 20 1HB TYR 20 0.408 3.825 -1.441 144 HD1 TYR 20 1HD TYR 20 1.275 4.631 0.595 145 HD2 TYR 20 2HD TYR 20 0.440 7.368 -2.545 146 HE1 TYR 20 1HE TYR 20 1.586 6.487 2.146 147 HE2 TYR 20 2HE TYR 20 0.751 9.236 -1.012 148 HH TYR 20 HH TYR 20 0.631 9.654 1.366 149 H THR 21 H THR 21 2.012 2.151 -1.919 150 HA THR 21 HA THR 21 0.613 0.569 -3.845 151 HB THR 21 HB THR 21 3.505 0.146 -3.331 152 HG1 THR 21 1HG THR 21 2.448 1.719 -5.132 153 HG21 THR 21 1HG2 THR 21 1.597 -1.441 -5.045 154 HG22 THR 21 2HG2 THR 21 2.399 -1.959 -3.568 155 HG23 THR 21 3HG2 THR 21 3.343 -1.694 -5.032 156 H CYS 22 H CYS 22 -0.072 -1.184 -2.737 157 HA CYS 22 HA CYS 22 0.663 -1.095 -0.023 158 HB2 CYS 22 2HB CYS 22 -1.122 -2.880 0.182 159 HB3 CYS 22 1HB CYS 22 -1.579 -1.194 -0.130 160 H SER 23 H SER 23 1.576 -2.388 1.168 161 HA SER 23 HA SER 23 3.621 -3.969 -0.033 162 HB2 SER 23 2HB SER 23 4.120 -2.446 1.777 163 HB3 SER 23 1HB SER 23 2.913 -3.203 2.804 164 HG SER 23 HG SER 23 5.490 -3.899 2.262 165 H ARG 24 H ARG 24 4.071 -6.113 0.684 166 HA ARG 24 HA ARG 24 1.717 -7.683 1.436 167 HB2 ARG 24 2HB ARG 24 2.942 -8.223 -0.646 168 HB3 ARG 24 1HB ARG 24 4.351 -8.503 0.373 169 HG2 ARG 24 2HG ARG 24 3.301 -10.633 -0.265 170 HG3 ARG 24 1HG ARG 24 3.256 -10.366 1.474 171 HD2 ARG 24 2HD ARG 24 0.887 -9.599 1.241 172 HD3 ARG 24 1HD ARG 24 0.961 -10.008 -0.477 173 HE ARG 24 HE ARG 24 1.821 -12.190 1.002 174 HH11 ARG 24 1HH1 ARG 24 -1.348 -10.582 0.250 175 HH12 ARG 24 2HH1 ARG 24 -2.200 -11.932 0.752 176 HH21 ARG 24 1HH2 ARG 24 0.527 -13.976 1.616 177 HH22 ARG 24 2HH2 ARG 24 -1.172 -13.898 1.497 178 H ARG 25 H ARG 25 4.946 -6.690 2.210 179 HA ARG 25 HA ARG 25 5.569 -8.395 4.339 180 HB2 ARG 25 2HB ARG 25 7.048 -6.823 3.008 181 HB3 ARG 25 1HB ARG 25 6.289 -5.494 3.830 182 HG2 ARG 25 2HG ARG 25 7.954 -7.616 5.160 183 HG3 ARG 25 1HG ARG 25 8.574 -6.076 4.583 184 HD2 ARG 25 2HD ARG 25 8.277 -5.661 6.862 185 HD3 ARG 25 1HD ARG 25 6.760 -5.073 6.193 186 HE ARG 25 HE ARG 25 6.558 -7.789 6.896 187 HH11 ARG 25 1HH1 ARG 25 6.184 -4.542 8.215 188 HH12 ARG 25 2HH1 ARG 25 5.673 -5.080 9.740 189 HH21 ARG 25 1HH2 ARG 25 5.731 -8.504 8.938 190 HH22 ARG 25 2HH2 ARG 25 5.355 -7.384 10.148 191 H ASP 26 H ASP 26 4.270 -5.078 4.180 192 HA ASP 26 HA ASP 26 3.507 -5.229 6.953 193 HB2 ASP 26 2HB ASP 26 3.368 -2.973 4.978 194 HB3 ASP 26 1HB ASP 26 2.971 -2.907 6.671 195 H ARG 27 H ARG 27 2.122 -5.401 3.743 196 HA ARG 27 HA ARG 27 0.189 -5.144 2.857 197 HB2 ARG 27 2HB ARG 27 -0.873 -6.431 5.365 198 HB3 ARG 27 1HB ARG 27 -1.553 -6.417 3.724 199 HG2 ARG 27 2HG ARG 27 0.439 -7.587 2.922 200 HG3 ARG 27 1HG ARG 27 0.981 -7.755 4.591 201 HD2 ARG 27 2HD ARG 27 -0.067 -9.778 4.009 202 HD3 ARG 27 1HD ARG 27 -1.218 -8.912 5.029 203 HE ARG 27 HE ARG 27 -1.385 -8.854 2.090 204 HH11 ARG 27 1HH1 ARG 27 -2.965 -9.203 5.240 205 HH12 ARG 27 2HH1 ARG 27 -4.466 -9.645 4.587 206 HH21 ARG 27 1HH2 ARG 27 -3.398 -9.455 1.197 207 HH22 ARG 27 2HH2 ARG 27 -4.743 -9.798 2.207 208 H TRP 28 H TRP 28 0.997 -2.868 4.541 209 HA TRP 28 HA TRP 28 -1.623 -1.547 4.417 210 HB2 TRP 28 2HB TRP 28 -0.540 0.391 5.555 211 HB3 TRP 28 1HB TRP 28 -0.539 -1.052 6.536 212 HD1 TRP 28 HD TRP 28 2.281 -0.552 3.949 213 HE1 TRP 28 1HE TRP 28 4.456 -0.155 5.307 214 HE3 TRP 28 3HE TRP 28 0.359 -0.086 8.622 215 HZ2 TRP 28 2HZ TRP 28 5.238 0.332 7.782 216 HZ3 TRP 28 3HZ TRP 28 1.907 0.382 10.498 217 HH2 TRP 28 HH TRP 28 4.324 0.592 10.098 218 H CYS 29 H CYS 29 -1.283 0.771 3.526 219 HA CYS 29 HA CYS 29 -0.189 0.365 0.873 220 HB2 CYS 29 2HB CYS 29 -2.428 1.367 1.268 221 HB3 CYS 29 1HB CYS 29 -1.633 2.719 2.064 222 H LYS 30 H LYS 30 1.880 0.497 0.807 223 HA LYS 30 HA LYS 30 3.360 2.120 2.658 224 HB2 LYS 30 2HB LYS 30 3.686 -0.318 2.159 225 HB3 LYS 30 1HB LYS 30 4.157 0.138 0.541 226 HG2 LYS 30 2HG LYS 30 5.985 -0.428 2.015 227 HG3 LYS 30 1HG LYS 30 6.121 1.254 1.409 228 HD2 LYS 30 2HD LYS 30 5.519 2.067 3.511 229 HD3 LYS 30 1HD LYS 30 4.891 0.492 3.999 230 HE2 LYS 30 2HE LYS 30 7.801 1.171 3.508 231 HE3 LYS 30 1HE LYS 30 7.042 0.998 5.089 232 HZ1 LYS 30 1HZ LYS 30 6.620 -1.388 4.562 233 HZ2 LYS 30 2HZ LYS 30 8.237 -1.016 4.482 234 HZ3 LYS 30 3HZ LYS 30 7.361 -1.166 3.065 235 H TYR 31 H TYR 31 4.735 3.771 1.883 236 HA TYR 31 HA TYR 31 4.048 4.984 -0.602 237 HB2 TYR 31 2HB TYR 31 5.033 6.105 1.532 238 HB3 TYR 31 1HB TYR 31 6.569 5.481 0.913 239 HD1 TYR 31 1HD TYR 31 3.773 7.761 0.164 240 HD2 TYR 31 2HD TYR 31 7.726 6.575 -0.852 241 HE1 TYR 31 1HE TYR 31 3.986 9.740 -1.256 242 HE2 TYR 31 2HE TYR 31 7.957 8.546 -2.278 243 HH TYR 31 HH TYR 31 6.432 10.079 -3.513 244 H TYR 32 H TYR 32 4.829 4.435 -2.516 245 HA TYR 32 HA TYR 32 6.611 2.232 -2.651 246 HB2 TYR 32 2HB TYR 32 4.722 2.380 -4.182 247 HB3 TYR 32 1HB TYR 32 5.364 3.878 -4.852 248 HD1 TYR 32 1HD TYR 32 6.102 0.296 -4.416 249 HD2 TYR 32 2HD TYR 32 6.900 3.832 -6.577 250 HE1 TYR 32 1HE TYR 32 7.427 -1.016 -6.027 251 HE2 TYR 32 2HE TYR 32 8.220 2.574 -8.215 252 HH TYR 32 HH TYR 32 8.222 -0.831 -8.361 253 H LEU 33 H LEU 33 8.667 2.255 -2.921 254 HA LEU 33 HA LEU 33 10.010 4.807 -3.346 255 HB2 LEU 33 2HB LEU 33 11.141 2.166 -2.428 256 HB3 LEU 33 1HB LEU 33 12.004 3.691 -2.482 257 HG LEU 33 HG LEU 33 9.667 3.029 -0.695 258 HD11 LEU 33 1HD1 LEU 33 11.699 1.914 -0.010 259 HD12 LEU 33 2HD1 LEU 33 11.291 3.207 1.118 260 HD13 LEU 33 3HD1 LEU 33 12.578 3.441 -0.062 261 HD21 LEU 33 1HD2 LEU 33 11.307 5.559 -0.888 262 HD22 LEU 33 2HD2 LEU 33 10.113 5.207 0.362 263 HD23 LEU 33 3HD2 LEU 33 9.605 5.377 -1.316 264 HN1 NH2 34 1H LEU 33 9.895 5.055 -5.489 265 HN2 NH2 34 2H LEU 33 10.623 4.014 -6.664 Start of MODEL 11 1 H1 ASP 1 1HT ASP 1 -13.137 5.112 -4.554 2 H2 ASP 1 2HT ASP 1 -12.374 4.105 -3.419 3 H3 ASP 1 3HT ASP 1 -11.929 4.026 -5.020 4 HA ASP 1 HA ASP 1 -10.996 6.198 -4.939 5 HB2 ASP 1 2HB ASP 1 -11.885 6.108 -2.044 6 HB3 ASP 1 1HB ASP 1 -10.785 7.311 -2.704 7 H CYS 2 H CYS 2 -8.814 6.523 -4.084 8 HA CYS 2 HA CYS 2 -7.561 3.993 -3.632 9 HB2 CYS 2 2HB CYS 2 -5.439 5.296 -3.625 10 HB3 CYS 2 1HB CYS 2 -6.384 5.545 -5.061 11 H LEU 3 H LEU 3 -5.569 4.285 -2.043 12 HA LEU 3 HA LEU 3 -6.800 4.673 0.580 13 HB2 LEU 3 2HB LEU 3 -4.572 2.868 -0.305 14 HB3 LEU 3 1HB LEU 3 -5.153 3.009 1.345 15 HG LEU 3 HG LEU 3 -6.668 1.878 -1.012 16 HD11 LEU 3 1HD1 LEU 3 -6.542 -0.212 0.233 17 HD12 LEU 3 2HD1 LEU 3 -5.566 0.584 1.467 18 HD13 LEU 3 3HD1 LEU 3 -4.944 0.409 -0.174 19 HD21 LEU 3 1HD2 LEU 3 -8.409 1.297 0.622 20 HD22 LEU 3 2HD2 LEU 3 -8.204 3.040 0.473 21 HD23 LEU 3 3HD2 LEU 3 -7.531 2.188 1.864 22 H GLY 4 H GLY 4 -5.134 5.199 2.237 23 HA2 GLY 4 2HA GLY 4 -3.313 7.035 1.028 24 HA3 GLY 4 1HA GLY 4 -3.825 7.122 2.730 25 H TRP 5 H TRP 5 -2.755 5.634 4.277 26 HA TRP 5 HA TRP 5 -0.542 4.282 3.127 27 HB2 TRP 5 2HB TRP 5 -0.066 6.488 4.250 28 HB3 TRP 5 1HB TRP 5 -0.518 5.703 5.741 29 HD1 TRP 5 HD TRP 5 1.001 2.985 5.554 30 HE1 TRP 5 1HE TRP 5 3.566 2.880 5.663 31 HE3 TRP 5 3HE TRP 5 2.044 7.757 4.121 32 HZ2 TRP 5 2HZ TRP 5 5.759 4.626 5.195 33 HZ3 TRP 5 3HZ TRP 5 4.394 8.472 3.978 34 HH2 TRP 5 HH TRP 5 6.210 6.926 4.507 35 H PHE 6 H PHE 6 -1.812 4.523 6.295 36 HA PHE 6 HA PHE 6 -1.244 1.720 6.783 37 HB2 PHE 6 2HB PHE 6 -2.484 3.777 8.627 38 HB3 PHE 6 1HB PHE 6 -1.892 2.183 9.103 39 HD1 PHE 6 1HD PHE 6 0.550 1.690 8.770 40 HD2 PHE 6 2HD PHE 6 -1.105 5.593 8.552 41 HE1 PHE 6 1HE PHE 6 2.767 2.643 9.136 42 HE2 PHE 6 2HE PHE 6 1.122 6.557 8.917 43 HZ PHE 6 HZ PHE 6 3.052 5.078 9.210 44 H LYS 7 H LYS 7 -3.262 2.198 4.904 45 HA LYS 7 HA LYS 7 -5.617 1.061 6.225 46 HB2 LYS 7 2HB LYS 7 -5.284 1.976 3.382 47 HB3 LYS 7 1HB LYS 7 -6.743 1.348 4.081 48 HG2 LYS 7 2HG LYS 7 -5.421 3.928 4.925 49 HG3 LYS 7 1HG LYS 7 -6.864 3.788 3.920 50 HD2 LYS 7 2HD LYS 7 -8.034 2.668 5.782 51 HD3 LYS 7 1HD LYS 7 -6.592 2.845 6.778 52 HE2 LYS 7 2HE LYS 7 -8.160 4.577 7.352 53 HE3 LYS 7 1HE LYS 7 -6.775 5.301 6.541 54 HZ1 LYS 7 1HZ LYS 7 -8.116 5.384 4.486 55 HZ2 LYS 7 2HZ LYS 7 -8.815 6.250 5.730 56 HZ3 LYS 7 3HZ LYS 7 -9.431 4.742 5.318 57 H SER 8 H SER 8 -6.391 -0.947 5.537 58 HA SER 8 HA SER 8 -4.365 -2.798 5.060 59 HB2 SER 8 2HB SER 8 -7.287 -3.252 4.932 60 HB3 SER 8 1HB SER 8 -6.003 -4.276 5.552 61 HG SER 8 HG SER 8 -5.626 -2.673 7.198 62 H CYS 9 H CYS 9 -3.925 -3.782 3.242 63 HA CYS 9 HA CYS 9 -5.692 -3.854 0.968 64 HB2 CYS 9 2HB CYS 9 -4.778 -1.704 0.762 65 HB3 CYS 9 1HB CYS 9 -3.125 -2.340 0.871 66 H ASP 10 H ASP 10 -4.361 -4.785 -0.878 67 HA ASP 10 HA ASP 10 -2.340 -6.670 0.056 68 HB2 ASP 10 2HB ASP 10 -4.568 -7.803 0.115 69 HB3 ASP 10 1HB ASP 10 -4.654 -7.596 -1.628 70 HA PRO 11 HA PRO 11 -0.280 -5.211 -3.586 71 HB2 PRO 11 2HB PRO 11 1.026 -7.706 -4.001 72 HB3 PRO 11 1HB PRO 11 1.676 -6.285 -3.159 73 HG2 PRO 11 2HG PRO 11 0.403 -8.733 -2.079 74 HG3 PRO 11 1HG PRO 11 1.655 -7.656 -1.402 75 HD2 PRO 11 2HD PRO 11 -0.825 -7.716 -0.506 76 HD3 PRO 11 1HD PRO 11 0.111 -6.204 -0.565 77 H LYS 12 H LYS 12 -2.062 -8.233 -3.655 78 HA LYS 12 HA LYS 12 -2.003 -8.194 -6.568 79 HB2 LYS 12 2HB LYS 12 -3.226 -10.202 -4.688 80 HB3 LYS 12 1HB LYS 12 -3.197 -10.354 -6.443 81 HG2 LYS 12 2HG LYS 12 -0.726 -10.329 -6.373 82 HG3 LYS 12 1HG LYS 12 -0.805 -10.258 -4.618 83 HD2 LYS 12 2HD LYS 12 -0.372 -12.536 -5.323 84 HD3 LYS 12 1HD LYS 12 -1.985 -12.436 -4.621 85 HE2 LYS 12 2HE LYS 12 -2.981 -12.464 -6.803 86 HE3 LYS 12 1HE LYS 12 -1.398 -12.342 -7.572 87 HZ1 LYS 12 1HZ LYS 12 -0.836 -14.497 -6.715 88 HZ2 LYS 12 2HZ LYS 12 -2.281 -14.587 -7.592 89 HZ3 LYS 12 3HZ LYS 12 -2.316 -14.617 -5.902 90 H ASN 13 H ASN 13 -3.774 -6.787 -4.217 91 HA ASN 13 HA ASN 13 -6.030 -6.331 -6.025 92 HB2 ASN 13 2HB ASN 13 -6.511 -8.087 -4.228 93 HB3 ASN 13 1HB ASN 13 -6.278 -6.827 -3.042 94 HD21 ASN 13 1HD2 ASN 13 -8.372 -7.948 -5.587 95 HD22 ASN 13 2HD2 ASN 13 -9.736 -6.980 -5.203 96 H ASP 14 H ASP 14 -3.871 -4.855 -5.838 97 HA ASP 14 HA ASP 14 -3.641 -2.978 -3.758 98 HB2 ASP 14 2HB ASP 14 -1.810 -3.430 -5.300 99 HB3 ASP 14 1HB ASP 14 -2.729 -2.687 -6.616 100 H LYS 15 H LYS 15 -4.498 -1.159 -3.326 101 HA LYS 15 HA LYS 15 -6.492 0.070 -5.127 102 HB2 LYS 15 2HB LYS 15 -6.475 -0.282 -2.145 103 HB3 LYS 15 1HB LYS 15 -7.625 0.698 -3.024 104 HG2 LYS 15 2HG LYS 15 -8.488 -1.286 -4.136 105 HG3 LYS 15 1HG LYS 15 -7.261 -2.277 -3.341 106 HD2 LYS 15 2HD LYS 15 -8.185 -1.756 -1.173 107 HD3 LYS 15 1HD LYS 15 -9.351 -0.653 -1.901 108 HE2 LYS 15 2HE LYS 15 -10.364 -2.526 -3.101 109 HE3 LYS 15 1HE LYS 15 -9.198 -3.630 -2.376 110 HZ1 LYS 15 1HZ LYS 15 -10.112 -3.046 -0.197 111 HZ2 LYS 15 2HZ LYS 15 -11.254 -3.716 -1.198 112 HZ3 LYS 15 3HZ LYS 15 -11.264 -2.052 -0.928 113 H CYS 16 H CYS 16 -3.595 0.672 -4.678 114 HA CYS 16 HA CYS 16 -3.650 2.958 -2.927 115 HB2 CYS 16 2HB CYS 16 -1.464 1.473 -4.275 116 HB3 CYS 16 1HB CYS 16 -1.184 2.996 -3.427 117 H CYS 17 H CYS 17 -2.786 4.978 -3.391 118 HA CYS 17 HA CYS 17 -3.469 5.919 -6.020 119 HB2 CYS 17 2HB CYS 17 -3.360 7.070 -3.358 120 HB3 CYS 17 1HB CYS 17 -2.445 8.041 -4.485 121 H LYS 18 H LYS 18 -1.821 7.975 -6.256 122 HA LYS 18 HA LYS 18 0.324 6.875 -7.655 123 HB2 LYS 18 2HB LYS 18 -0.801 8.981 -8.203 124 HB3 LYS 18 1HB LYS 18 -0.094 9.712 -6.767 125 HG2 LYS 18 2HG LYS 18 2.095 9.372 -7.641 126 HG3 LYS 18 1HG LYS 18 1.416 8.547 -9.053 127 HD2 LYS 18 2HD LYS 18 1.940 10.811 -9.706 128 HD3 LYS 18 1HD LYS 18 0.190 10.638 -9.601 129 HE2 LYS 18 2HE LYS 18 0.251 11.684 -7.360 130 HE3 LYS 18 1HE LYS 18 1.991 11.902 -7.533 131 HZ1 LYS 18 1HZ LYS 18 1.521 13.249 -9.525 132 HZ2 LYS 18 2HZ LYS 18 0.928 13.917 -8.118 133 HZ3 LYS 18 3HZ LYS 18 -0.131 13.153 -9.194 134 H ASN 19 H ASN 19 2.230 6.278 -7.055 135 HA ASN 19 HA ASN 19 4.270 6.126 -6.111 136 HB2 ASN 19 2HB ASN 19 4.058 8.648 -6.080 137 HB3 ASN 19 1HB ASN 19 3.681 8.515 -4.368 138 HD21 ASN 19 1HD2 ASN 19 5.559 9.592 -3.729 139 HD22 ASN 19 2HD2 ASN 19 7.127 8.881 -3.821 140 H TYR 20 H TYR 20 1.760 5.163 -4.956 141 HA TYR 20 HA TYR 20 2.927 4.107 -2.478 142 HB2 TYR 20 2HB TYR 20 0.052 4.738 -3.096 143 HB3 TYR 20 1HB TYR 20 0.569 3.744 -1.761 144 HD1 TYR 20 1HD TYR 20 0.453 7.154 -3.099 145 HD2 TYR 20 2HD TYR 20 1.465 4.743 0.247 146 HE1 TYR 20 1HE TYR 20 0.564 9.147 -1.705 147 HE2 TYR 20 2HE TYR 20 1.595 6.732 1.654 148 HH TYR 20 HH TYR 20 0.408 9.741 0.541 149 H THR 21 H THR 21 2.067 1.964 -2.024 150 HA THR 21 HA THR 21 0.337 0.577 -3.616 151 HB THR 21 HB THR 21 2.011 0.547 -5.241 152 HG1 THR 21 1HG THR 21 0.713 -1.384 -4.721 153 HG21 THR 21 1HG2 THR 21 4.209 -0.664 -4.961 154 HG22 THR 21 2HG2 THR 21 3.849 -0.765 -3.236 155 HG23 THR 21 3HG2 THR 21 4.066 0.807 -3.996 156 H CYS 22 H CYS 22 -0.225 -1.310 -2.720 157 HA CYS 22 HA CYS 22 0.597 -1.331 -0.004 158 HB2 CYS 22 2HB CYS 22 -1.252 -2.946 0.263 159 HB3 CYS 22 1HB CYS 22 -1.710 -1.297 -0.187 160 H SER 23 H SER 23 1.681 -2.603 1.001 161 HA SER 23 HA SER 23 3.244 -4.598 -0.415 162 HB2 SER 23 2HB SER 23 4.432 -3.039 0.996 163 HB3 SER 23 1HB SER 23 3.380 -3.391 2.349 164 HG SER 23 HG SER 23 5.452 -4.364 2.471 165 H ARG 24 H ARG 24 3.687 -6.708 0.686 166 HA ARG 24 HA ARG 24 1.237 -7.885 1.819 167 HB2 ARG 24 2HB ARG 24 2.183 -8.917 -0.194 168 HB3 ARG 24 1HB ARG 24 3.695 -9.133 0.696 169 HG2 ARG 24 2HG ARG 24 2.497 -11.241 0.522 170 HG3 ARG 24 1HG ARG 24 2.572 -10.701 2.194 171 HD2 ARG 24 2HD ARG 24 0.345 -11.569 1.762 172 HD3 ARG 24 1HD ARG 24 0.274 -9.815 1.961 173 HE ARG 24 HE ARG 24 -0.818 -9.809 0.012 174 HH11 ARG 24 1HH1 ARG 24 1.456 -12.537 -0.254 175 HH12 ARG 24 2HH1 ARG 24 1.058 -12.840 -1.881 176 HH21 ARG 24 1HH2 ARG 24 -1.399 -10.324 -2.165 177 HH22 ARG 24 2HH2 ARG 24 -0.517 -11.568 -2.968 178 H ARG 25 H ARG 25 4.509 -7.018 2.459 179 HA ARG 25 HA ARG 25 4.891 -8.648 4.778 180 HB2 ARG 25 2HB ARG 25 6.719 -7.636 3.396 181 HB3 ARG 25 1HB ARG 25 6.219 -6.053 3.989 182 HG2 ARG 25 2HG ARG 25 6.538 -7.040 6.287 183 HG3 ARG 25 1HG ARG 25 7.418 -8.326 5.440 184 HD2 ARG 25 2HD ARG 25 9.028 -6.720 6.164 185 HD3 ARG 25 1HD ARG 25 8.847 -6.535 4.419 186 HE ARG 25 HE ARG 25 7.154 -4.689 5.191 187 HH11 ARG 25 1HH1 ARG 25 10.402 -5.357 6.401 188 HH12 ARG 25 2HH1 ARG 25 10.582 -3.839 7.161 189 HH21 ARG 25 1HH2 ARG 25 7.411 -2.592 6.223 190 HH22 ARG 25 2HH2 ARG 25 8.882 -2.230 7.019 191 H ASP 26 H ASP 26 4.184 -5.316 4.016 192 HA ASP 26 HA ASP 26 3.673 -4.550 6.730 193 HB2 ASP 26 2HB ASP 26 3.297 -2.913 4.209 194 HB3 ASP 26 1HB ASP 26 3.496 -2.376 5.844 195 H ARG 27 H ARG 27 1.906 -5.540 3.819 196 HA ARG 27 HA ARG 27 -0.088 -5.432 3.088 197 HB2 ARG 27 2HB ARG 27 -0.912 -6.113 5.895 198 HB3 ARG 27 1HB ARG 27 -1.770 -6.401 4.371 199 HG2 ARG 27 2HG ARG 27 0.366 -7.670 3.697 200 HG3 ARG 27 1HG ARG 27 0.637 -7.764 5.433 201 HD2 ARG 27 2HD ARG 27 -0.497 -9.734 4.846 202 HD3 ARG 27 1HD ARG 27 -1.704 -8.696 5.600 203 HE ARG 27 HE ARG 27 -1.446 -8.810 2.675 204 HH11 ARG 27 1HH1 ARG 27 -3.439 -9.119 5.578 205 HH12 ARG 27 2HH1 ARG 27 -4.857 -9.507 4.743 206 HH21 ARG 27 1HH2 ARG 27 -3.408 -9.409 1.497 207 HH22 ARG 27 2HH2 ARG 27 -4.844 -9.650 2.380 208 H TRP 28 H TRP 28 0.775 -2.824 4.325 209 HA TRP 28 HA TRP 28 -1.889 -1.684 4.078 210 HB2 TRP 28 2HB TRP 28 -0.996 0.354 5.249 211 HB3 TRP 28 1HB TRP 28 -0.924 -1.094 6.200 212 HD1 TRP 28 HD TRP 28 1.760 0.283 3.759 213 HE1 TRP 28 1HE TRP 28 3.956 0.536 5.187 214 HE3 TRP 28 3HE TRP 28 -0.090 -1.034 8.159 215 HZ2 TRP 28 2HZ TRP 28 4.711 0.204 7.865 216 HZ3 TRP 28 3HZ TRP 28 1.322 -1.059 10.147 217 HH2 TRP 28 HH TRP 28 3.711 -0.443 10.016 218 H CYS 29 H CYS 29 -1.573 0.666 3.166 219 HA CYS 29 HA CYS 29 -0.400 0.289 0.559 220 HB2 CYS 29 2HB CYS 29 -2.637 1.420 0.974 221 HB3 CYS 29 1HB CYS 29 -1.755 2.732 1.743 222 H LYS 30 H LYS 30 1.729 0.336 0.674 223 HA LYS 30 HA LYS 30 3.031 2.031 2.580 224 HB2 LYS 30 2HB LYS 30 3.487 -0.393 2.319 225 HB3 LYS 30 1HB LYS 30 4.090 -0.069 0.708 226 HG2 LYS 30 2HG LYS 30 5.808 1.359 1.662 227 HG3 LYS 30 1HG LYS 30 5.193 0.971 3.279 228 HD2 LYS 30 2HD LYS 30 5.609 -1.421 2.816 229 HD3 LYS 30 1HD LYS 30 6.341 -0.969 1.276 230 HE2 LYS 30 2HE LYS 30 8.067 -1.328 2.892 231 HE3 LYS 30 1HE LYS 30 7.985 0.387 2.506 232 HZ1 LYS 30 1HZ LYS 30 8.223 -0.009 4.897 233 HZ2 LYS 30 2HZ LYS 30 6.767 -0.861 4.924 234 HZ3 LYS 30 3HZ LYS 30 6.785 0.780 4.536 235 H TYR 31 H TYR 31 4.139 3.755 2.031 236 HA TYR 31 HA TYR 31 3.937 5.091 -0.421 237 HB2 TYR 31 2HB TYR 31 4.548 5.985 1.906 238 HB3 TYR 31 1HB TYR 31 6.158 5.362 1.558 239 HD1 TYR 31 1HD TYR 31 3.597 7.701 0.237 240 HD2 TYR 31 2HD TYR 31 7.726 6.733 0.494 241 HE1 TYR 31 1HE TYR 31 4.148 9.846 -0.783 242 HE2 TYR 31 2HE TYR 31 8.299 8.880 -0.542 243 HH TYR 31 HH TYR 31 7.204 10.578 -1.989 244 H TYR 32 H TYR 32 5.080 4.846 -2.251 245 HA TYR 32 HA TYR 32 6.901 2.656 -2.385 246 HB2 TYR 32 2HB TYR 32 5.210 3.074 -4.115 247 HB3 TYR 32 1HB TYR 32 6.014 4.583 -4.525 248 HD1 TYR 32 1HD TYR 32 7.574 4.576 -6.202 249 HD2 TYR 32 2HD TYR 32 6.669 0.961 -4.215 250 HE1 TYR 32 1HE TYR 32 8.998 3.364 -7.803 251 HE2 TYR 32 2HE TYR 32 8.081 -0.284 -5.789 252 HH TYR 32 HH TYR 32 10.261 1.251 -7.883 253 H LEU 33 H LEU 33 8.997 2.710 -2.392 254 HA LEU 33 HA LEU 33 10.310 5.321 -2.405 255 HB2 LEU 33 2HB LEU 33 11.213 2.731 -1.134 256 HB3 LEU 33 1HB LEU 33 12.136 4.218 -1.139 257 HG LEU 33 HG LEU 33 9.473 3.804 0.230 258 HD11 LEU 33 1HD1 LEU 33 10.756 3.995 2.296 259 HD12 LEU 33 2HD1 LEU 33 12.250 4.073 1.361 260 HD13 LEU 33 3HD1 LEU 33 11.268 2.610 1.336 261 HD21 LEU 33 1HD2 LEU 33 9.894 6.007 1.232 262 HD22 LEU 33 2HD2 LEU 33 9.735 6.108 -0.519 263 HD23 LEU 33 3HD2 LEU 33 11.332 6.184 0.228 264 HN1 NH2 34 1H LEU 33 11.794 2.169 -2.823 265 HN2 NH2 34 2H LEU 33 12.338 2.437 -4.434 Start of MODEL 12 1 H1 ASP 1 1HT ASP 1 -11.499 7.468 -2.390 2 H2 ASP 1 2HT ASP 1 -12.279 7.873 -3.840 3 H3 ASP 1 3HT ASP 1 -10.756 8.494 -3.484 4 HA ASP 1 HA ASP 1 -11.330 5.639 -3.914 5 HB2 ASP 1 2HB ASP 1 -10.068 5.865 -5.960 6 HB3 ASP 1 1HB ASP 1 -11.361 7.058 -5.992 7 H CYS 2 H CYS 2 -9.220 4.530 -4.266 8 HA CYS 2 HA CYS 2 -7.465 3.664 -3.426 9 HB2 CYS 2 2HB CYS 2 -5.454 4.923 -3.445 10 HB3 CYS 2 1HB CYS 2 -6.401 5.269 -4.849 11 H LEU 3 H LEU 3 -5.474 4.236 -1.810 12 HA LEU 3 HA LEU 3 -6.784 4.409 0.771 13 HB2 LEU 3 2HB LEU 3 -4.558 2.681 -0.201 14 HB3 LEU 3 1HB LEU 3 -5.066 2.773 1.480 15 HG LEU 3 HG LEU 3 -6.713 1.754 -0.836 16 HD11 LEU 3 1HD1 LEU 3 -5.479 0.327 1.505 17 HD12 LEU 3 2HD1 LEU 3 -4.954 0.232 -0.177 18 HD13 LEU 3 3HD1 LEU 3 -6.534 -0.398 0.292 19 HD21 LEU 3 1HD2 LEU 3 -7.385 1.950 2.099 20 HD22 LEU 3 2HD2 LEU 3 -8.341 1.107 0.883 21 HD23 LEU 3 3HD2 LEU 3 -8.146 2.852 0.785 22 H GLY 4 H GLY 4 -5.222 4.946 2.445 23 HA2 GLY 4 2HA GLY 4 -3.325 6.836 1.427 24 HA3 GLY 4 1HA GLY 4 -3.847 6.762 3.125 25 H TRP 5 H TRP 5 -2.406 5.692 4.553 26 HA TRP 5 HA TRP 5 -0.453 4.119 3.221 27 HB2 TRP 5 2HB TRP 5 0.342 6.179 4.392 28 HB3 TRP 5 1HB TRP 5 -0.150 5.419 5.893 29 HD1 TRP 5 HD TRP 5 1.005 2.547 5.561 30 HE1 TRP 5 1HE TRP 5 3.521 2.094 5.552 31 HE3 TRP 5 3HE TRP 5 2.591 7.182 4.248 32 HZ2 TRP 5 2HZ TRP 5 5.910 3.552 5.043 33 HZ3 TRP 5 3HZ TRP 5 4.994 7.589 4.019 34 HH2 TRP 5 HH TRP 5 6.625 5.802 4.409 35 H PHE 6 H PHE 6 -1.574 4.218 6.445 36 HA PHE 6 HA PHE 6 -0.865 1.451 6.851 37 HB2 PHE 6 2HB PHE 6 -2.369 3.243 8.774 38 HB3 PHE 6 1HB PHE 6 -1.431 1.801 9.161 39 HD1 PHE 6 1HD PHE 6 -1.445 5.320 8.811 40 HD2 PHE 6 2HD PHE 6 1.076 1.900 8.714 41 HE1 PHE 6 1HE PHE 6 0.509 6.751 9.188 42 HE2 PHE 6 2HE PHE 6 3.024 3.328 9.091 43 HZ PHE 6 HZ PHE 6 2.735 5.756 9.331 44 H LYS 7 H LYS 7 -3.260 2.387 5.177 45 HA LYS 7 HA LYS 7 -5.459 0.902 6.351 46 HB2 LYS 7 2HB LYS 7 -5.127 1.905 3.533 47 HB3 LYS 7 1HB LYS 7 -6.586 1.263 4.216 48 HG2 LYS 7 2HG LYS 7 -5.279 3.805 5.185 49 HG3 LYS 7 1HG LYS 7 -6.648 3.722 4.079 50 HD2 LYS 7 2HD LYS 7 -7.991 2.607 5.779 51 HD3 LYS 7 1HD LYS 7 -6.621 2.602 6.881 52 HE2 LYS 7 2HE LYS 7 -8.182 4.378 7.463 53 HE3 LYS 7 1HE LYS 7 -6.652 5.058 6.929 54 HZ1 LYS 7 1HZ LYS 7 -7.650 5.593 4.804 55 HZ2 LYS 7 2HZ LYS 7 -8.642 6.199 6.027 56 HZ3 LYS 7 3HZ LYS 7 -9.074 4.812 5.230 57 H SER 8 H SER 8 -6.152 -1.119 5.606 58 HA SER 8 HA SER 8 -4.047 -2.844 4.979 59 HB2 SER 8 2HB SER 8 -6.959 -3.413 5.070 60 HB3 SER 8 1HB SER 8 -5.589 -4.429 5.493 61 HG SER 8 HG SER 8 -5.094 -2.943 7.175 62 H CYS 9 H CYS 9 -3.754 -3.866 3.130 63 HA CYS 9 HA CYS 9 -5.635 -3.721 0.951 64 HB2 CYS 9 2HB CYS 9 -4.435 -1.689 0.738 65 HB3 CYS 9 1HB CYS 9 -2.893 -2.561 0.798 66 H ASP 10 H ASP 10 -4.487 -4.774 -0.904 67 HA ASP 10 HA ASP 10 -2.843 -6.998 0.027 68 HB2 ASP 10 2HB ASP 10 -5.252 -7.714 -0.151 69 HB3 ASP 10 1HB ASP 10 -5.168 -7.336 -1.870 70 HA PRO 11 HA PRO 11 -0.433 -5.269 -3.241 71 HB2 PRO 11 2HB PRO 11 1.016 -7.564 -3.748 72 HB3 PRO 11 1HB PRO 11 1.447 -6.343 -2.527 73 HG2 PRO 11 2HG PRO 11 0.043 -8.956 -2.247 74 HG3 PRO 11 1HG PRO 11 1.214 -8.170 -1.171 75 HD2 PRO 11 2HD PRO 11 -1.366 -8.199 -0.596 76 HD3 PRO 11 1HD PRO 11 -0.378 -6.757 -0.262 77 H LYS 12 H LYS 12 -2.140 -8.249 -3.682 78 HA LYS 12 HA LYS 12 -1.766 -8.202 -6.566 79 HB2 LYS 12 2HB LYS 12 -3.480 -10.001 -4.868 80 HB3 LYS 12 1HB LYS 12 -3.168 -10.190 -6.588 81 HG2 LYS 12 2HG LYS 12 -0.836 -10.624 -6.141 82 HG3 LYS 12 1HG LYS 12 -1.096 -10.330 -4.423 83 HD2 LYS 12 2HD LYS 12 -1.059 -12.695 -4.700 84 HD3 LYS 12 1HD LYS 12 -2.734 -12.240 -4.438 85 HE2 LYS 12 2HE LYS 12 -1.504 -12.800 -7.141 86 HE3 LYS 12 1HE LYS 12 -2.377 -13.982 -6.193 87 HZ1 LYS 12 1HZ LYS 12 -3.841 -13.138 -7.808 88 HZ2 LYS 12 2HZ LYS 12 -3.480 -11.552 -7.519 89 HZ3 LYS 12 3HZ LYS 12 -4.369 -12.421 -6.379 90 H ASN 13 H ASN 13 -3.800 -6.828 -4.338 91 HA ASN 13 HA ASN 13 -5.843 -6.223 -6.361 92 HB2 ASN 13 2HB ASN 13 -6.581 -7.946 -4.637 93 HB3 ASN 13 1HB ASN 13 -6.356 -6.714 -3.415 94 HD21 ASN 13 1HD2 ASN 13 -7.695 -6.078 -6.610 95 HD22 ASN 13 2HD2 ASN 13 -9.279 -5.685 -6.071 96 H ASP 14 H ASP 14 -3.656 -4.811 -5.940 97 HA ASP 14 HA ASP 14 -3.536 -2.930 -3.886 98 HB2 ASP 14 2HB ASP 14 -1.671 -3.347 -5.406 99 HB3 ASP 14 1HB ASP 14 -2.587 -2.573 -6.711 100 H LYS 15 H LYS 15 -4.601 -1.332 -3.407 101 HA LYS 15 HA LYS 15 -6.442 -0.003 -5.281 102 HB2 LYS 15 2HB LYS 15 -6.636 -0.495 -2.317 103 HB3 LYS 15 1HB LYS 15 -7.730 0.531 -3.225 104 HG2 LYS 15 2HG LYS 15 -8.455 -1.390 -4.534 105 HG3 LYS 15 1HG LYS 15 -7.314 -2.417 -3.666 106 HD2 LYS 15 2HD LYS 15 -8.493 -1.959 -1.573 107 HD3 LYS 15 1HD LYS 15 -9.633 -0.924 -2.441 108 HE2 LYS 15 2HE LYS 15 -10.341 -2.826 -3.787 109 HE3 LYS 15 1HE LYS 15 -9.186 -3.859 -2.953 110 HZ1 LYS 15 1HZ LYS 15 -10.405 -3.473 -0.904 111 HZ2 LYS 15 2HZ LYS 15 -11.367 -4.153 -2.077 112 HZ3 LYS 15 3HZ LYS 15 -11.534 -2.505 -1.724 113 H CYS 16 H CYS 16 -3.589 0.485 -4.567 114 HA CYS 16 HA CYS 16 -3.672 2.772 -2.856 115 HB2 CYS 16 2HB CYS 16 -1.493 1.261 -4.208 116 HB3 CYS 16 1HB CYS 16 -1.209 2.790 -3.381 117 H CYS 17 H CYS 17 -2.920 4.799 -3.389 118 HA CYS 17 HA CYS 17 -3.671 5.625 -6.016 119 HB2 CYS 17 2HB CYS 17 -3.329 6.866 -3.417 120 HB3 CYS 17 1HB CYS 17 -2.566 7.800 -4.680 121 H LYS 18 H LYS 18 -2.127 7.634 -6.494 122 HA LYS 18 HA LYS 18 0.235 6.704 -7.709 123 HB2 LYS 18 2HB LYS 18 -1.074 8.704 -8.349 124 HB3 LYS 18 1HB LYS 18 -0.551 9.449 -6.841 125 HG2 LYS 18 2HG LYS 18 1.757 9.239 -7.556 126 HG3 LYS 18 1HG LYS 18 1.195 8.561 -9.093 127 HD2 LYS 18 2HD LYS 18 1.668 10.911 -9.390 128 HD3 LYS 18 1HD LYS 18 -0.072 10.604 -9.500 129 HE2 LYS 18 2HE LYS 18 -0.340 11.347 -7.158 130 HE3 LYS 18 1HE LYS 18 1.390 11.666 -7.071 131 HZ1 LYS 18 1HZ LYS 18 1.061 13.373 -8.805 132 HZ2 LYS 18 2HZ LYS 18 0.178 13.650 -7.405 133 HZ3 LYS 18 3HZ LYS 18 -0.608 13.066 -8.758 134 H ASN 19 H ASN 19 2.151 6.376 -6.963 135 HA ASN 19 HA ASN 19 4.077 6.620 -5.787 136 HB2 ASN 19 2HB ASN 19 2.487 8.576 -4.236 137 HB3 ASN 19 1HB ASN 19 4.185 8.257 -3.858 138 HD21 ASN 19 1HD2 ASN 19 4.718 8.112 -6.864 139 HD22 ASN 19 2HD2 ASN 19 4.670 9.749 -7.382 140 H TYR 20 H TYR 20 1.378 5.193 -4.831 141 HA TYR 20 HA TYR 20 2.625 4.130 -2.413 142 HB2 TYR 20 2HB TYR 20 -0.277 4.468 -3.058 143 HB3 TYR 20 1HB TYR 20 0.325 3.534 -1.724 144 HD1 TYR 20 1HD TYR 20 1.001 4.574 0.330 145 HD2 TYR 20 2HD TYR 20 -0.057 6.991 -3.011 146 HE1 TYR 20 1HE TYR 20 0.895 6.522 1.788 147 HE2 TYR 20 2HE TYR 20 -0.169 8.958 -1.556 148 HH TYR 20 HH TYR 20 1.031 8.921 1.658 149 H THR 21 H THR 21 2.114 1.890 -2.027 150 HA THR 21 HA THR 21 1.185 0.222 -4.156 151 HB THR 21 HB THR 21 3.373 -1.041 -3.711 152 HG1 THR 21 1HG THR 21 3.913 1.058 -2.330 153 HG21 THR 21 1HG2 THR 21 2.803 -0.248 -5.952 154 HG22 THR 21 2HG2 THR 21 4.520 0.020 -5.661 155 HG23 THR 21 3HG2 THR 21 3.385 1.366 -5.548 156 H CYS 22 H CYS 22 -0.028 -1.352 -2.859 157 HA CYS 22 HA CYS 22 0.753 -1.312 -0.183 158 HB2 CYS 22 2HB CYS 22 -1.038 -2.993 0.127 159 HB3 CYS 22 1HB CYS 22 -1.552 -1.368 -0.329 160 H SER 23 H SER 23 1.589 -2.646 1.052 161 HA SER 23 HA SER 23 3.541 -4.377 -0.145 162 HB2 SER 23 2HB SER 23 4.226 -2.833 1.591 163 HB3 SER 23 1HB SER 23 3.005 -3.461 2.689 164 HG SER 23 HG SER 23 5.513 -4.344 2.148 165 H ARG 24 H ARG 24 3.894 -6.505 0.751 166 HA ARG 24 HA ARG 24 1.408 -7.848 1.548 167 HB2 ARG 24 2HB ARG 24 3.100 -8.543 -0.403 168 HB3 ARG 24 1HB ARG 24 3.859 -9.357 0.966 169 HG2 ARG 24 2HG ARG 24 1.037 -9.821 -0.047 170 HG3 ARG 24 1HG ARG 24 2.395 -10.924 -0.203 171 HD2 ARG 24 2HD ARG 24 2.447 -11.163 2.241 172 HD3 ARG 24 1HD ARG 24 1.105 -10.014 2.347 173 HE ARG 24 HE ARG 24 0.404 -12.116 0.644 174 HH11 ARG 24 1HH1 ARG 24 0.908 -11.561 4.151 175 HH12 ARG 24 2HH1 ARG 24 -0.246 -12.718 4.594 176 HH21 ARG 24 1HH2 ARG 24 -1.110 -13.690 1.294 177 HH22 ARG 24 2HH2 ARG 24 -1.392 -14.011 2.951 178 H ARG 25 H ARG 25 4.749 -7.134 2.400 179 HA ARG 25 HA ARG 25 5.020 -8.815 4.627 180 HB2 ARG 25 2HB ARG 25 6.844 -7.531 3.460 181 HB3 ARG 25 1HB ARG 25 6.218 -6.073 4.228 182 HG2 ARG 25 2HG ARG 25 6.541 -7.234 6.399 183 HG3 ARG 25 1HG ARG 25 7.423 -8.472 5.484 184 HD2 ARG 25 2HD ARG 25 9.021 -6.920 6.399 185 HD3 ARG 25 1HD ARG 25 8.938 -6.680 4.652 186 HE ARG 25 HE ARG 25 7.170 -4.869 5.614 187 HH11 ARG 25 1HH1 ARG 25 10.581 -5.494 6.281 188 HH12 ARG 25 2HH1 ARG 25 10.904 -3.927 6.860 189 HH21 ARG 25 1HH2 ARG 25 7.567 -2.791 6.328 190 HH22 ARG 25 2HH2 ARG 25 9.107 -2.268 6.856 191 H ASP 26 H ASP 26 4.127 -5.442 4.238 192 HA ASP 26 HA ASP 26 3.262 -5.274 6.985 193 HB2 ASP 26 2HB ASP 26 3.548 -3.224 4.818 194 HB3 ASP 26 1HB ASP 26 3.022 -2.908 6.456 195 H ARG 27 H ARG 27 1.916 -5.854 3.875 196 HA ARG 27 HA ARG 27 0.028 -5.593 2.868 197 HB2 ARG 27 2HB ARG 27 -1.154 -6.442 5.510 198 HB3 ARG 27 1HB ARG 27 -1.872 -6.494 3.890 199 HG2 ARG 27 2HG ARG 27 0.002 -8.019 3.243 200 HG3 ARG 27 1HG ARG 27 0.352 -8.157 4.968 201 HD2 ARG 27 2HD ARG 27 -1.053 -9.983 4.412 202 HD3 ARG 27 1HD ARG 27 -2.065 -8.832 5.282 203 HE ARG 27 HE ARG 27 -2.083 -9.312 2.380 204 HH11 ARG 27 1HH1 ARG 27 -3.692 -7.931 5.233 205 HH12 ARG 27 2HH1 ARG 27 -5.187 -7.721 4.467 206 HH21 ARG 27 1HH2 ARG 27 -4.182 -9.037 1.312 207 HH22 ARG 27 2HH2 ARG 27 -5.461 -8.335 2.191 208 H TRP 28 H TRP 28 0.887 -3.118 4.289 209 HA TRP 28 HA TRP 28 -1.720 -1.862 4.096 210 HB2 TRP 28 2HB TRP 28 -0.731 0.116 5.255 211 HB3 TRP 28 1HB TRP 28 -0.704 -1.344 6.212 212 HD1 TRP 28 HD TRP 28 2.089 -0.546 3.671 213 HE1 TRP 28 1HE TRP 28 4.284 -0.177 5.036 214 HE3 TRP 28 3HE TRP 28 0.135 -0.665 8.318 215 HZ2 TRP 28 2HZ TRP 28 5.019 0.078 7.730 216 HZ3 TRP 28 3HZ TRP 28 1.607 -0.344 10.257 217 HH2 TRP 28 HH TRP 28 4.020 0.023 9.960 218 H CYS 29 H CYS 29 -1.455 0.468 3.227 219 HA CYS 29 HA CYS 29 -0.350 0.183 0.571 220 HB2 CYS 29 2HB CYS 29 -2.624 1.185 1.122 221 HB3 CYS 29 1HB CYS 29 -1.762 2.537 1.838 222 H LYS 30 H LYS 30 1.766 0.225 0.687 223 HA LYS 30 HA LYS 30 3.229 1.840 2.538 224 HB2 LYS 30 2HB LYS 30 3.803 -0.478 2.038 225 HB3 LYS 30 1HB LYS 30 3.963 -0.088 0.342 226 HG2 LYS 30 2HG LYS 30 5.839 1.417 0.962 227 HG3 LYS 30 1HG LYS 30 5.734 0.761 2.606 228 HD2 LYS 30 2HD LYS 30 6.020 -1.517 1.675 229 HD3 LYS 30 1HD LYS 30 6.219 -0.818 0.072 230 HE2 LYS 30 2HE LYS 30 8.172 0.447 0.951 231 HE3 LYS 30 1HE LYS 30 8.006 -0.445 2.462 232 HZ1 LYS 30 1HZ LYS 30 9.650 -1.529 1.083 233 HZ2 LYS 30 2HZ LYS 30 8.592 -1.613 -0.209 234 HZ3 LYS 30 3HZ LYS 30 8.288 -2.507 1.180 235 H TYR 31 H TYR 31 3.882 3.853 2.001 236 HA TYR 31 HA TYR 31 3.542 4.946 -0.584 237 HB2 TYR 31 2HB TYR 31 3.773 6.254 1.607 238 HB3 TYR 31 1HB TYR 31 5.502 5.911 1.471 239 HD1 TYR 31 1HD TYR 31 2.686 7.564 -0.242 240 HD2 TYR 31 2HD TYR 31 6.907 7.281 0.116 241 HE1 TYR 31 1HE TYR 31 2.921 9.533 -1.650 242 HE2 TYR 31 2HE TYR 31 7.157 9.265 -1.305 243 HH TYR 31 HH TYR 31 5.884 10.478 -2.997 244 H TYR 32 H TYR 32 4.814 4.805 -2.256 245 HA TYR 32 HA TYR 32 6.947 2.932 -2.121 246 HB2 TYR 32 2HB TYR 32 5.290 3.074 -3.920 247 HB3 TYR 32 1HB TYR 32 6.034 4.580 -4.474 248 HD1 TYR 32 1HD TYR 32 6.307 1.006 -4.171 249 HD2 TYR 32 2HD TYR 32 8.228 4.504 -5.528 250 HE1 TYR 32 1HE TYR 32 7.864 -0.385 -5.450 251 HE2 TYR 32 2HE TYR 32 9.814 3.159 -6.832 252 HH TYR 32 HH TYR 32 10.728 0.845 -6.755 253 H LEU 33 H LEU 33 8.842 3.430 -1.617 254 HA LEU 33 HA LEU 33 9.841 6.127 -2.137 255 HB2 LEU 33 2HB LEU 33 9.793 5.450 0.236 256 HB3 LEU 33 1HB LEU 33 10.824 4.086 -0.122 257 HG LEU 33 HG LEU 33 12.671 5.617 -0.657 258 HD11 LEU 33 1HD1 LEU 33 12.440 8.006 -0.159 259 HD12 LEU 33 2HD1 LEU 33 10.716 7.776 0.126 260 HD13 LEU 33 3HD1 LEU 33 11.391 7.509 -1.483 261 HD21 LEU 33 1HD2 LEU 33 13.055 6.431 1.609 262 HD22 LEU 33 2HD2 LEU 33 12.380 4.801 1.632 263 HD23 LEU 33 3HD2 LEU 33 11.354 6.186 1.993 264 HN1 NH2 34 1H LEU 33 11.949 3.437 -1.456 265 HN2 NH2 34 2H LEU 33 12.599 3.293 -3.048 Start of MODEL 13 1 H1 ASP 1 1HT ASP 1 -12.026 7.146 -6.292 2 H2 ASP 1 2HT ASP 1 -11.701 5.508 -6.065 3 H3 ASP 1 3HT ASP 1 -10.537 6.486 -6.761 4 HA ASP 1 HA ASP 1 -10.301 7.700 -4.683 5 HB2 ASP 1 2HB ASP 1 -11.344 6.806 -2.667 6 HB3 ASP 1 1HB ASP 1 -12.594 7.236 -3.826 7 H CYS 2 H CYS 2 -8.988 6.714 -2.869 8 HA CYS 2 HA CYS 2 -7.835 4.121 -3.558 9 HB2 CYS 2 2HB CYS 2 -5.576 5.144 -3.502 10 HB3 CYS 2 1HB CYS 2 -6.509 5.699 -4.862 11 H LEU 3 H LEU 3 -5.683 4.404 -1.911 12 HA LEU 3 HA LEU 3 -6.957 4.549 0.706 13 HB2 LEU 3 2HB LEU 3 -4.717 2.837 -0.301 14 HB3 LEU 3 1HB LEU 3 -5.234 2.892 1.375 15 HG LEU 3 HG LEU 3 -6.847 1.876 -0.968 16 HD11 LEU 3 1HD1 LEU 3 -5.055 0.386 -0.319 17 HD12 LEU 3 2HD1 LEU 3 -6.618 -0.292 0.145 18 HD13 LEU 3 3HD1 LEU 3 -5.582 0.453 1.361 19 HD21 LEU 3 1HD2 LEU 3 -8.313 2.914 0.681 20 HD22 LEU 3 2HD2 LEU 3 -7.545 1.988 1.969 21 HD23 LEU 3 3HD2 LEU 3 -8.485 1.160 0.729 22 H GLY 4 H GLY 4 -5.463 5.163 2.394 23 HA2 GLY 4 2HA GLY 4 -3.610 7.069 1.353 24 HA3 GLY 4 1HA GLY 4 -4.159 7.015 3.047 25 H TRP 5 H TRP 5 -2.858 5.809 4.556 26 HA TRP 5 HA TRP 5 -0.749 4.335 3.341 27 HB2 TRP 5 2HB TRP 5 -0.143 6.521 4.463 28 HB3 TRP 5 1HB TRP 5 -0.584 5.732 5.964 29 HD1 TRP 5 HD TRP 5 0.734 3.030 5.857 30 HE1 TRP 5 1HE TRP 5 3.293 2.696 5.798 31 HE3 TRP 5 3HE TRP 5 2.054 7.564 4.001 32 HZ2 TRP 5 2HZ TRP 5 5.573 4.194 5.046 33 HZ3 TRP 5 3HZ TRP 5 4.440 8.049 3.636 34 HH2 TRP 5 HH TRP 5 6.160 6.398 4.149 35 H PHE 6 H PHE 6 -2.042 4.543 6.506 36 HA PHE 6 HA PHE 6 -1.533 1.675 6.815 37 HB2 PHE 6 2HB PHE 6 -2.649 3.636 8.853 38 HB3 PHE 6 1HB PHE 6 -2.169 1.975 9.184 39 HD1 PHE 6 1HD PHE 6 -1.187 5.352 9.125 40 HD2 PHE 6 2HD PHE 6 0.287 1.383 8.700 41 HE1 PHE 6 1HE PHE 6 1.076 6.136 9.655 42 HE2 PHE 6 2HE PHE 6 2.544 2.163 9.229 43 HZ PHE 6 HZ PHE 6 2.937 4.541 9.711 44 H LYS 7 H LYS 7 -3.259 1.921 4.958 45 HA LYS 7 HA LYS 7 -5.724 0.859 6.138 46 HB2 LYS 7 2HB LYS 7 -5.245 1.689 3.302 47 HB3 LYS 7 1HB LYS 7 -6.754 1.241 4.033 48 HG2 LYS 7 2HG LYS 7 -5.222 3.753 4.709 49 HG3 LYS 7 1HG LYS 7 -6.670 3.667 3.706 50 HD2 LYS 7 2HD LYS 7 -7.932 2.786 5.624 51 HD3 LYS 7 1HD LYS 7 -6.479 2.894 6.617 52 HE2 LYS 7 2HE LYS 7 -6.424 5.325 6.229 53 HE3 LYS 7 1HE LYS 7 -7.910 5.191 5.293 54 HZ1 LYS 7 1HZ LYS 7 -7.605 4.502 8.160 55 HZ2 LYS 7 2HZ LYS 7 -9.027 4.349 7.262 56 HZ3 LYS 7 3HZ LYS 7 -8.373 5.878 7.555 57 H SER 8 H SER 8 -6.183 -1.242 5.550 58 HA SER 8 HA SER 8 -3.995 -2.817 4.847 59 HB2 SER 8 2HB SER 8 -6.882 -3.484 5.073 60 HB3 SER 8 1HB SER 8 -5.492 -4.526 5.318 61 HG SER 8 HG SER 8 -4.853 -2.950 6.948 62 H CYS 9 H CYS 9 -3.745 -3.873 3.004 63 HA CYS 9 HA CYS 9 -5.663 -3.730 0.863 64 HB2 CYS 9 2HB CYS 9 -4.639 -1.642 0.677 65 HB3 CYS 9 1HB CYS 9 -3.022 -2.373 0.738 66 H ASP 10 H ASP 10 -4.689 -4.705 -0.993 67 HA ASP 10 HA ASP 10 -2.813 -6.837 -0.263 68 HB2 ASP 10 2HB ASP 10 -5.180 -7.687 -0.491 69 HB3 ASP 10 1HB ASP 10 -5.124 -7.180 -2.176 70 HA PRO 11 HA PRO 11 -0.543 -4.694 -3.511 71 HB2 PRO 11 2HB PRO 11 0.979 -7.023 -4.056 72 HB3 PRO 11 1HB PRO 11 1.450 -5.645 -3.055 73 HG2 PRO 11 2HG PRO 11 0.285 -8.267 -2.245 74 HG3 PRO 11 1HG PRO 11 1.403 -7.222 -1.353 75 HD2 PRO 11 2HD PRO 11 -1.100 -7.448 -0.675 76 HD3 PRO 11 1HD PRO 11 -0.293 -5.871 -0.591 77 H LYS 12 H LYS 12 -2.071 -7.809 -3.979 78 HA LYS 12 HA LYS 12 -1.775 -7.645 -6.868 79 HB2 LYS 12 2HB LYS 12 -3.113 -9.707 -5.127 80 HB3 LYS 12 1HB LYS 12 -2.865 -9.845 -6.862 81 HG2 LYS 12 2HG LYS 12 -0.480 -9.896 -6.596 82 HG3 LYS 12 1HG LYS 12 -0.614 -9.510 -4.884 83 HD2 LYS 12 2HD LYS 12 -0.112 -11.865 -5.188 84 HD3 LYS 12 1HD LYS 12 -1.722 -11.670 -4.502 85 HE2 LYS 12 2HE LYS 12 -2.719 -12.060 -6.677 86 HE3 LYS 12 1HE LYS 12 -1.122 -12.173 -7.418 87 HZ1 LYS 12 1HZ LYS 12 -0.676 -14.111 -6.055 88 HZ2 LYS 12 2HZ LYS 12 -2.074 -14.358 -6.962 89 HZ3 LYS 12 3HZ LYS 12 -2.191 -13.991 -5.335 90 H ASN 13 H ASN 13 -3.824 -6.417 -4.612 91 HA ASN 13 HA ASN 13 -5.942 -5.969 -6.586 92 HB2 ASN 13 2HB ASN 13 -6.498 -7.790 -4.887 93 HB3 ASN 13 1HB ASN 13 -6.413 -6.546 -3.655 94 HD21 ASN 13 1HD2 ASN 13 -7.712 -6.094 -6.878 95 HD22 ASN 13 2HD2 ASN 13 -9.333 -5.792 -6.374 96 H ASP 14 H ASP 14 -3.875 -4.433 -6.125 97 HA ASP 14 HA ASP 14 -3.704 -2.719 -3.933 98 HB2 ASP 14 2HB ASP 14 -1.988 -3.128 -5.636 99 HB3 ASP 14 1HB ASP 14 -2.916 -2.118 -6.751 100 H LYS 15 H LYS 15 -4.733 -1.043 -3.339 101 HA LYS 15 HA LYS 15 -6.606 0.328 -5.134 102 HB2 LYS 15 2HB LYS 15 -6.819 -0.213 -2.184 103 HB3 LYS 15 1HB LYS 15 -7.907 0.804 -3.107 104 HG2 LYS 15 2HG LYS 15 -8.405 -1.244 -4.510 105 HG3 LYS 15 1HG LYS 15 -7.508 -2.175 -3.315 106 HD2 LYS 15 2HD LYS 15 -9.989 -0.521 -2.789 107 HD3 LYS 15 1HD LYS 15 -9.926 -2.273 -2.916 108 HE2 LYS 15 2HE LYS 15 -8.431 -2.316 -0.933 109 HE3 LYS 15 1HE LYS 15 -8.601 -0.566 -0.814 110 HZ1 LYS 15 1HZ LYS 15 -10.830 -2.526 -0.585 111 HZ2 LYS 15 2HZ LYS 15 -10.994 -0.864 -0.525 112 HZ3 LYS 15 3HZ LYS 15 -10.158 -1.649 0.687 113 H CYS 16 H CYS 16 -3.748 0.855 -4.449 114 HA CYS 16 HA CYS 16 -3.858 3.140 -2.703 115 HB2 CYS 16 2HB CYS 16 -1.649 1.656 -4.059 116 HB3 CYS 16 1HB CYS 16 -1.383 3.163 -3.187 117 H CYS 17 H CYS 17 -3.001 5.180 -3.273 118 HA CYS 17 HA CYS 17 -3.676 5.972 -5.928 119 HB2 CYS 17 2HB CYS 17 -3.229 7.297 -3.356 120 HB3 CYS 17 1HB CYS 17 -2.575 8.170 -4.717 121 H LYS 18 H LYS 18 -2.065 7.845 -6.490 122 HA LYS 18 HA LYS 18 0.162 6.679 -7.675 123 HB2 LYS 18 2HB LYS 18 -1.014 8.682 -8.485 124 HB3 LYS 18 1HB LYS 18 -0.380 9.582 -7.115 125 HG2 LYS 18 2HG LYS 18 1.835 9.279 -7.869 126 HG3 LYS 18 1HG LYS 18 1.282 8.233 -9.183 127 HD2 LYS 18 2HD LYS 18 1.718 10.429 -10.116 128 HD3 LYS 18 1HD LYS 18 -0.020 10.139 -10.093 129 HE2 LYS 18 2HE LYS 18 0.405 12.413 -9.375 130 HE3 LYS 18 1HE LYS 18 -0.174 11.481 -8.001 131 HZ1 LYS 18 1HZ LYS 18 2.652 12.208 -8.556 132 HZ2 LYS 18 2HZ LYS 18 2.178 11.259 -7.280 133 HZ3 LYS 18 3HZ LYS 18 1.691 12.858 -7.347 134 H ASN 19 H ASN 19 2.180 6.410 -7.056 135 HA ASN 19 HA ASN 19 4.147 6.453 -6.012 136 HB2 ASN 19 2HB ASN 19 3.552 9.031 -5.769 137 HB3 ASN 19 1HB ASN 19 3.326 8.611 -4.084 138 HD21 ASN 19 1HD2 ASN 19 5.528 6.655 -4.081 139 HD22 ASN 19 2HD2 ASN 19 6.986 7.571 -4.126 140 H TYR 20 H TYR 20 1.343 5.584 -4.697 141 HA TYR 20 HA TYR 20 2.603 4.413 -2.333 142 HB2 TYR 20 2HB TYR 20 -0.297 4.914 -2.971 143 HB3 TYR 20 1HB TYR 20 0.236 3.888 -1.669 144 HD1 TYR 20 1HD TYR 20 1.294 4.848 0.331 145 HD2 TYR 20 2HD TYR 20 -0.248 7.323 -2.762 146 HE1 TYR 20 1HE TYR 20 1.296 6.736 1.869 147 HE2 TYR 20 2HE TYR 20 -0.254 9.234 -1.234 148 HH TYR 20 HH TYR 20 1.344 9.219 1.779 149 H THR 21 H THR 21 1.916 2.246 -1.937 150 HA THR 21 HA THR 21 0.729 0.624 -3.989 151 HB THR 21 HB THR 21 3.536 0.081 -3.176 152 HG1 THR 21 1HG THR 21 2.642 1.827 -5.011 153 HG21 THR 21 1HG2 THR 21 3.545 -1.494 -5.097 154 HG22 THR 21 2HG2 THR 21 1.866 -1.059 -5.409 155 HG23 THR 21 3HG2 THR 21 2.300 -1.860 -3.901 156 H CYS 22 H CYS 22 -0.073 -1.169 -2.863 157 HA CYS 22 HA CYS 22 0.590 -1.037 -0.128 158 HB2 CYS 22 2HB CYS 22 -1.144 -2.831 0.089 159 HB3 CYS 22 1HB CYS 22 -1.697 -1.190 -0.274 160 H SER 23 H SER 23 1.687 -2.217 0.976 161 HA SER 23 HA SER 23 3.643 -3.839 -0.300 162 HB2 SER 23 2HB SER 23 4.246 -2.301 1.455 163 HB3 SER 23 1HB SER 23 3.105 -3.059 2.559 164 HG SER 23 HG SER 23 5.652 -3.749 1.875 165 H ARG 24 H ARG 24 4.211 -5.946 0.474 166 HA ARG 24 HA ARG 24 1.953 -7.588 1.359 167 HB2 ARG 24 2HB ARG 24 2.963 -8.252 -0.720 168 HB3 ARG 24 1HB ARG 24 4.543 -8.253 0.060 169 HG2 ARG 24 2HG ARG 24 3.724 -10.554 -0.272 170 HG3 ARG 24 1HG ARG 24 3.905 -10.161 1.430 171 HD2 ARG 24 2HD ARG 24 1.452 -9.744 1.557 172 HD3 ARG 24 1HD ARG 24 1.310 -10.252 -0.129 173 HE ARG 24 HE ARG 24 2.693 -12.220 1.249 174 HH11 ARG 24 1HH1 ARG 24 -0.647 -11.017 1.112 175 HH12 ARG 24 2HH1 ARG 24 -1.316 -12.476 1.663 176 HH21 ARG 24 1HH2 ARG 24 1.747 -14.171 2.016 177 HH22 ARG 24 2HH2 ARG 24 0.052 -14.288 2.230 178 H ARG 25 H ARG 25 5.112 -6.379 2.174 179 HA ARG 25 HA ARG 25 5.576 -8.235 4.287 180 HB2 ARG 25 2HB ARG 25 7.290 -6.785 2.999 181 HB3 ARG 25 1HB ARG 25 6.747 -5.472 4.041 182 HG2 ARG 25 2HG ARG 25 7.221 -7.393 5.842 183 HG3 ARG 25 1HG ARG 25 8.404 -7.795 4.587 184 HD2 ARG 25 2HD ARG 25 9.459 -6.301 6.147 185 HD3 ARG 25 1HD ARG 25 9.155 -5.410 4.653 186 HE ARG 25 HE ARG 25 7.437 -4.221 5.691 187 HH11 ARG 25 1HH1 ARG 25 9.100 -6.402 7.969 188 HH12 ARG 25 2HH1 ARG 25 8.345 -5.740 9.347 189 HH21 ARG 25 1HH2 ARG 25 6.444 -3.328 7.630 190 HH22 ARG 25 2HH2 ARG 25 6.812 -4.009 9.152 191 H ASP 26 H ASP 26 4.540 -4.863 3.932 192 HA ASP 26 HA ASP 26 3.778 -4.693 6.703 193 HB2 ASP 26 2HB ASP 26 3.712 -2.637 4.481 194 HB3 ASP 26 1HB ASP 26 3.336 -2.369 6.152 195 H ARG 27 H ARG 27 2.320 -5.332 3.564 196 HA ARG 27 HA ARG 27 0.365 -5.250 2.704 197 HB2 ARG 27 2HB ARG 27 -0.452 -6.481 5.336 198 HB3 ARG 27 1HB ARG 27 -1.331 -6.495 3.797 199 HG2 ARG 27 2HG ARG 27 0.427 -7.666 2.714 200 HG3 ARG 27 1HG ARG 27 1.398 -7.651 4.182 201 HD2 ARG 27 2HD ARG 27 0.440 -9.794 4.036 202 HD3 ARG 27 1HD ARG 27 -0.490 -8.935 5.259 203 HE ARG 27 HE ARG 27 -1.562 -8.852 2.575 204 HH11 ARG 27 1HH1 ARG 27 -1.538 -10.552 5.687 205 HH12 ARG 27 2HH1 ARG 27 -3.043 -11.307 5.476 206 HH21 ARG 27 1HH2 ARG 27 -3.702 -9.957 2.275 207 HH22 ARG 27 2HH2 ARG 27 -4.266 -10.960 3.521 208 H TRP 28 H TRP 28 0.916 -2.776 4.297 209 HA TRP 28 HA TRP 28 -1.812 -1.785 4.000 210 HB2 TRP 28 2HB TRP 28 -1.084 0.216 5.359 211 HB3 TRP 28 1HB TRP 28 -1.029 -1.303 6.184 212 HD1 TRP 28 HD TRP 28 1.732 0.471 4.120 213 HE1 TRP 28 1HE TRP 28 3.812 0.599 5.717 214 HE3 TRP 28 3HE TRP 28 -0.336 -1.578 8.123 215 HZ2 TRP 28 2HZ TRP 28 4.385 -0.107 8.395 216 HZ3 TRP 28 3HZ TRP 28 0.909 -1.841 10.192 217 HH2 TRP 28 HH TRP 28 3.272 -1.114 10.346 218 H CYS 29 H CYS 29 -1.726 0.571 3.268 219 HA CYS 29 HA CYS 29 -0.529 0.517 0.643 220 HB2 CYS 29 2HB CYS 29 -2.851 1.404 1.204 221 HB3 CYS 29 1HB CYS 29 -2.048 2.760 1.984 222 H LYS 30 H LYS 30 1.602 0.690 0.819 223 HA LYS 30 HA LYS 30 2.733 2.525 2.738 224 HB2 LYS 30 2HB LYS 30 3.272 0.104 2.672 225 HB3 LYS 30 1HB LYS 30 3.907 0.319 1.065 226 HG2 LYS 30 2HG LYS 30 5.626 1.770 1.937 227 HG3 LYS 30 1HG LYS 30 4.963 1.563 3.572 228 HD2 LYS 30 2HD LYS 30 5.297 -0.859 3.405 229 HD3 LYS 30 1HD LYS 30 5.968 -0.654 1.791 230 HE2 LYS 30 2HE LYS 30 7.812 0.652 2.749 231 HE3 LYS 30 1HE LYS 30 7.125 0.413 4.355 232 HZ1 LYS 30 1HZ LYS 30 7.374 -1.981 4.065 233 HZ2 LYS 30 2HZ LYS 30 8.870 -1.210 3.917 234 HZ3 LYS 30 3HZ LYS 30 8.067 -1.741 2.543 235 H TYR 31 H TYR 31 4.291 4.014 2.025 236 HA TYR 31 HA TYR 31 3.807 5.112 -0.573 237 HB2 TYR 31 2HB TYR 31 4.451 6.291 1.672 238 HB3 TYR 31 1HB TYR 31 6.084 5.831 1.182 239 HD1 TYR 31 1HD TYR 31 3.101 7.670 -0.012 240 HD2 TYR 31 2HD TYR 31 7.311 7.216 -0.224 241 HE1 TYR 31 1HE TYR 31 3.235 9.693 -1.370 242 HE2 TYR 31 2HE TYR 31 7.465 9.243 -1.588 243 HH TYR 31 HH TYR 31 5.960 10.501 -3.108 244 H TYR 32 H TYR 32 4.844 4.530 -2.349 245 HA TYR 32 HA TYR 32 6.810 2.458 -2.230 246 HB2 TYR 32 2HB TYR 32 4.994 2.640 -3.942 247 HB3 TYR 32 1HB TYR 32 5.842 4.024 -4.618 248 HD1 TYR 32 1HD TYR 32 7.770 3.736 -5.962 249 HD2 TYR 32 2HD TYR 32 5.974 0.436 -4.039 250 HE1 TYR 32 1HE TYR 32 9.143 2.229 -7.324 251 HE2 TYR 32 2HE TYR 32 7.328 -1.119 -5.384 252 HH TYR 32 HH TYR 32 10.011 -0.048 -7.150 253 H LEU 33 H LEU 33 8.998 2.573 -2.787 254 HA LEU 33 HA LEU 33 10.113 5.254 -2.639 255 HB2 LEU 33 2HB LEU 33 11.519 2.570 -2.386 256 HB3 LEU 33 1HB LEU 33 12.313 4.118 -2.302 257 HG LEU 33 HG LEU 33 10.922 4.597 -0.239 258 HD11 LEU 33 1HD1 LEU 33 9.182 2.945 -0.555 259 HD12 LEU 33 2HD1 LEU 33 10.024 2.686 0.975 260 HD13 LEU 33 3HD1 LEU 33 10.368 1.649 -0.413 261 HD21 LEU 33 1HD2 LEU 33 12.852 2.297 -0.193 262 HD22 LEU 33 2HD2 LEU 33 12.339 3.225 1.213 263 HD23 LEU 33 3HD2 LEU 33 13.244 4.015 -0.080 264 HN1 NH2 34 1H LEU 33 11.401 2.432 -4.277 265 HN2 NH2 34 2H LEU 33 11.556 3.185 -5.824 Start of MODEL 14 1 H1 ASP 1 1HT ASP 1 -11.006 3.482 -5.955 2 H2 ASP 1 2HT ASP 1 -12.503 4.190 -5.703 3 H3 ASP 1 3HT ASP 1 -11.813 3.195 -4.517 4 HA ASP 1 HA ASP 1 -10.720 5.771 -5.431 5 HB2 ASP 1 2HB ASP 1 -12.753 5.949 -4.060 6 HB3 ASP 1 1HB ASP 1 -11.990 4.998 -2.778 7 H CYS 2 H CYS 2 -8.950 6.382 -3.925 8 HA CYS 2 HA CYS 2 -7.368 3.982 -3.568 9 HB2 CYS 2 2HB CYS 2 -5.389 5.500 -3.371 10 HB3 CYS 2 1HB CYS 2 -6.190 5.500 -4.918 11 H LEU 3 H LEU 3 -5.479 4.630 -1.791 12 HA LEU 3 HA LEU 3 -7.021 4.522 0.694 13 HB2 LEU 3 2HB LEU 3 -4.556 3.066 -0.169 14 HB3 LEU 3 1HB LEU 3 -5.284 2.939 1.425 15 HG LEU 3 HG LEU 3 -6.476 1.991 -1.188 16 HD11 LEU 3 1HD1 LEU 3 -6.200 -0.229 -0.219 17 HD12 LEU 3 2HD1 LEU 3 -5.413 0.489 1.187 18 HD13 LEU 3 3HD1 LEU 3 -4.660 0.607 -0.404 19 HD21 LEU 3 1HD2 LEU 3 -8.243 1.011 0.217 20 HD22 LEU 3 2HD2 LEU 3 -8.229 2.770 0.295 21 HD23 LEU 3 3HD2 LEU 3 -7.549 1.823 1.620 22 H GLY 4 H GLY 4 -5.551 5.004 2.551 23 HA2 GLY 4 2HA GLY 4 -3.806 7.135 1.792 24 HA3 GLY 4 1HA GLY 4 -4.281 6.771 3.471 25 H TRP 5 H TRP 5 -2.784 5.607 4.714 26 HA TRP 5 HA TRP 5 -0.651 4.385 3.271 27 HB2 TRP 5 2HB TRP 5 -0.143 6.497 4.569 28 HB3 TRP 5 1HB TRP 5 -0.495 5.566 6.011 29 HD1 TRP 5 HD TRP 5 1.071 2.966 5.548 30 HE1 TRP 5 1HE TRP 5 3.655 2.935 5.465 31 HE3 TRP 5 3HE TRP 5 1.857 7.837 4.335 32 HZ2 TRP 5 2HZ TRP 5 5.741 4.776 4.933 33 HZ3 TRP 5 3HZ TRP 5 4.169 8.636 4.052 34 HH2 TRP 5 HH TRP 5 6.062 7.134 4.344 35 H PHE 6 H PHE 6 -1.761 4.293 6.507 36 HA PHE 6 HA PHE 6 -1.033 1.486 6.777 37 HB2 PHE 6 2HB PHE 6 -2.437 3.257 8.799 38 HB3 PHE 6 1HB PHE 6 -1.600 1.740 9.121 39 HD1 PHE 6 1HD PHE 6 -1.374 5.246 9.044 40 HD2 PHE 6 2HD PHE 6 0.909 1.696 8.553 41 HE1 PHE 6 1HE PHE 6 0.678 6.506 9.483 42 HE2 PHE 6 2HE PHE 6 2.955 2.946 8.992 43 HZ PHE 6 HZ PHE 6 2.846 5.349 9.462 44 H LYS 7 H LYS 7 -3.293 2.286 5.055 45 HA LYS 7 HA LYS 7 -5.563 0.960 6.315 46 HB2 LYS 7 2HB LYS 7 -5.381 1.878 3.461 47 HB3 LYS 7 1HB LYS 7 -6.813 1.619 4.427 48 HG2 LYS 7 2HG LYS 7 -4.833 3.859 4.835 49 HG3 LYS 7 1HG LYS 7 -6.409 3.999 4.073 50 HD2 LYS 7 2HD LYS 7 -6.142 3.004 6.907 51 HD3 LYS 7 1HD LYS 7 -6.118 4.723 6.554 52 HE2 LYS 7 2HE LYS 7 -8.347 4.086 7.195 53 HE3 LYS 7 1HE LYS 7 -8.350 4.496 5.490 54 HZ1 LYS 7 1HZ LYS 7 -9.672 2.544 5.987 55 HZ2 LYS 7 2HZ LYS 7 -8.375 1.729 6.610 56 HZ3 LYS 7 3HZ LYS 7 -8.424 2.106 4.971 57 H SER 8 H SER 8 -6.288 -1.083 5.584 58 HA SER 8 HA SER 8 -4.304 -2.844 4.851 59 HB2 SER 8 2HB SER 8 -7.236 -3.274 4.698 60 HB3 SER 8 1HB SER 8 -5.956 -4.370 5.192 61 HG SER 8 HG SER 8 -6.671 -3.785 7.103 62 H CYS 9 H CYS 9 -3.911 -3.709 2.954 63 HA CYS 9 HA CYS 9 -5.672 -3.319 0.680 64 HB2 CYS 9 2HB CYS 9 -4.171 -1.446 0.652 65 HB3 CYS 9 1HB CYS 9 -2.793 -2.561 0.688 66 H ASP 10 H ASP 10 -4.438 -4.410 -1.184 67 HA ASP 10 HA ASP 10 -3.242 -6.913 -0.279 68 HB2 ASP 10 2HB ASP 10 -5.703 -7.239 -0.626 69 HB3 ASP 10 1HB ASP 10 -5.475 -6.754 -2.297 70 HA PRO 11 HA PRO 11 -0.454 -5.415 -3.409 71 HB2 PRO 11 2HB PRO 11 0.654 -7.931 -3.912 72 HB3 PRO 11 1HB PRO 11 1.274 -6.734 -2.758 73 HG2 PRO 11 2HG PRO 11 -0.416 -9.139 -2.307 74 HG3 PRO 11 1HG PRO 11 0.792 -8.387 -1.252 75 HD2 PRO 11 2HD PRO 11 -1.822 -8.169 -0.816 76 HD3 PRO 11 1HD PRO 11 -0.702 -6.838 -0.442 77 H LYS 12 H LYS 12 -2.532 -8.150 -4.002 78 HA LYS 12 HA LYS 12 -2.070 -7.887 -6.870 79 HB2 LYS 12 2HB LYS 12 -3.585 -9.946 -5.310 80 HB3 LYS 12 1HB LYS 12 -3.449 -9.921 -7.063 81 HG2 LYS 12 2HG LYS 12 -1.025 -10.158 -6.905 82 HG3 LYS 12 1HG LYS 12 -1.135 -10.179 -5.145 83 HD2 LYS 12 2HD LYS 12 -0.893 -12.430 -6.018 84 HD3 LYS 12 1HD LYS 12 -2.480 -12.233 -5.279 85 HE2 LYS 12 2HE LYS 12 -3.476 -11.930 -7.492 86 HE3 LYS 12 1HE LYS 12 -1.883 -12.081 -8.233 87 HZ1 LYS 12 1HZ LYS 12 -1.749 -14.328 -7.380 88 HZ2 LYS 12 2HZ LYS 12 -3.130 -14.143 -8.333 89 HZ3 LYS 12 3HZ LYS 12 -3.267 -14.172 -6.664 90 H ASN 13 H ASN 13 -3.971 -6.506 -4.663 91 HA ASN 13 HA ASN 13 -5.944 -5.753 -6.698 92 HB2 ASN 13 2HB ASN 13 -6.783 -7.547 -5.030 93 HB3 ASN 13 1HB ASN 13 -6.719 -6.273 -3.831 94 HD21 ASN 13 1HD2 ASN 13 -8.999 -7.693 -4.771 95 HD22 ASN 13 2HD2 ASN 13 -10.130 -6.541 -5.399 96 H ASP 14 H ASP 14 -3.749 -4.485 -6.131 97 HA ASP 14 HA ASP 14 -3.599 -2.706 -3.986 98 HB2 ASP 14 2HB ASP 14 -1.748 -3.136 -5.525 99 HB3 ASP 14 1HB ASP 14 -2.624 -2.262 -6.787 100 H LYS 15 H LYS 15 -4.571 -0.975 -3.509 101 HA LYS 15 HA LYS 15 -6.277 0.412 -5.449 102 HB2 LYS 15 2HB LYS 15 -6.737 -0.178 -2.545 103 HB3 LYS 15 1HB LYS 15 -7.725 0.896 -3.517 104 HG2 LYS 15 2HG LYS 15 -8.302 -1.020 -4.982 105 HG3 LYS 15 1HG LYS 15 -7.342 -2.070 -3.942 106 HD2 LYS 15 2HD LYS 15 -9.787 -0.507 -3.119 107 HD3 LYS 15 1HD LYS 15 -9.732 -2.234 -3.438 108 HE2 LYS 15 2HE LYS 15 -8.164 -2.534 -1.576 109 HE3 LYS 15 1HE LYS 15 -8.222 -0.801 -1.253 110 HZ1 LYS 15 1HZ LYS 15 -10.556 -0.988 -0.745 111 HZ2 LYS 15 2HZ LYS 15 -9.703 -2.105 0.196 112 HZ3 LYS 15 3HZ LYS 15 -10.548 -2.620 -1.155 113 H CYS 16 H CYS 16 -3.498 0.871 -4.612 114 HA CYS 16 HA CYS 16 -3.608 3.112 -2.822 115 HB2 CYS 16 2HB CYS 16 -1.392 1.669 -4.215 116 HB3 CYS 16 1HB CYS 16 -1.128 3.166 -3.321 117 H CYS 17 H CYS 17 -2.860 5.176 -3.312 118 HA CYS 17 HA CYS 17 -3.483 6.006 -5.998 119 HB2 CYS 17 2HB CYS 17 -3.526 7.246 -3.376 120 HB3 CYS 17 1HB CYS 17 -2.605 8.217 -4.500 121 H LYS 18 H LYS 18 -1.923 8.105 -6.263 122 HA LYS 18 HA LYS 18 0.417 7.048 -7.423 123 HB2 LYS 18 2HB LYS 18 -0.845 9.005 -8.223 124 HB3 LYS 18 1HB LYS 18 -0.371 9.869 -6.772 125 HG2 LYS 18 2HG LYS 18 1.902 9.807 -7.403 126 HG3 LYS 18 1HG LYS 18 1.524 8.773 -8.793 127 HD2 LYS 18 2HD LYS 18 1.819 11.090 -9.534 128 HD3 LYS 18 1HD LYS 18 0.151 10.557 -9.738 129 HE2 LYS 18 2HE LYS 18 -0.450 11.710 -7.630 130 HE3 LYS 18 1HE LYS 18 1.213 12.278 -7.497 131 HZ1 LYS 18 1HZ LYS 18 -0.654 12.925 -9.703 132 HZ2 LYS 18 2HZ LYS 18 0.927 13.478 -9.549 133 HZ3 LYS 18 3HZ LYS 18 -0.239 13.950 -8.417 134 H ASN 19 H ASN 19 2.417 6.868 -6.769 135 HA ASN 19 HA ASN 19 4.324 7.086 -5.607 136 HB2 ASN 19 2HB ASN 19 2.740 9.117 -4.146 137 HB3 ASN 19 1HB ASN 19 4.334 8.660 -3.510 138 HD21 ASN 19 1HD2 ASN 19 6.137 9.284 -4.704 139 HD22 ASN 19 2HD2 ASN 19 6.083 10.464 -5.951 140 H TYR 20 H TYR 20 1.590 5.689 -4.557 141 HA TYR 20 HA TYR 20 2.958 4.419 -2.316 142 HB2 TYR 20 2HB TYR 20 0.043 5.022 -2.687 143 HB3 TYR 20 1HB TYR 20 0.668 3.928 -1.484 144 HD1 TYR 20 1HD TYR 20 1.681 4.733 0.534 145 HD2 TYR 20 2HD TYR 20 0.442 7.473 -2.472 146 HE1 TYR 20 1HE TYR 20 1.893 6.563 2.132 147 HE2 TYR 20 2HE TYR 20 0.656 9.322 -0.878 148 HH TYR 20 HH TYR 20 0.534 9.528 1.647 149 H THR 21 H THR 21 2.221 2.236 -1.994 150 HA THR 21 HA THR 21 0.845 0.745 -4.022 151 HB THR 21 HB THR 21 3.694 0.066 -3.497 152 HG1 THR 21 1HG THR 21 2.673 1.964 -5.153 153 HG21 THR 21 1HG2 THR 21 3.496 -1.246 -5.605 154 HG22 THR 21 2HG2 THR 21 1.793 -0.781 -5.675 155 HG23 THR 21 3HG2 THR 21 2.397 -1.754 -4.324 156 H CYS 22 H CYS 22 0.093 -1.108 -2.920 157 HA CYS 22 HA CYS 22 0.887 -1.110 -0.210 158 HB2 CYS 22 2HB CYS 22 -0.869 -2.797 0.074 159 HB3 CYS 22 1HB CYS 22 -1.426 -1.180 -0.362 160 H SER 23 H SER 23 1.862 -2.431 0.902 161 HA SER 23 HA SER 23 3.644 -4.304 -0.385 162 HB2 SER 23 2HB SER 23 4.555 -2.773 1.256 163 HB3 SER 23 1HB SER 23 3.337 -3.231 2.434 164 HG SER 23 HG SER 23 5.726 -4.435 1.774 165 H ARG 24 H ARG 24 3.939 -6.476 0.636 166 HA ARG 24 HA ARG 24 1.393 -7.652 1.545 167 HB2 ARG 24 2HB ARG 24 2.890 -8.486 -0.477 168 HB3 ARG 24 1HB ARG 24 3.795 -9.252 0.826 169 HG2 ARG 24 2HG ARG 24 0.868 -9.748 0.169 170 HG3 ARG 24 1HG ARG 24 2.198 -10.827 -0.220 171 HD2 ARG 24 2HD ARG 24 1.284 -10.040 2.541 172 HD3 ARG 24 1HD ARG 24 0.866 -11.541 1.727 173 HE ARG 24 HE ARG 24 3.676 -11.249 1.830 174 HH11 ARG 24 1HH1 ARG 24 0.951 -12.043 3.990 175 HH12 ARG 24 2HH1 ARG 24 1.893 -12.985 5.029 176 HH21 ARG 24 1HH2 ARG 24 4.933 -12.489 3.269 177 HH22 ARG 24 2HH2 ARG 24 4.251 -13.264 4.634 178 H ARG 25 H ARG 25 4.739 -6.983 2.240 179 HA ARG 25 HA ARG 25 5.158 -8.593 4.489 180 HB2 ARG 25 2HB ARG 25 6.854 -7.216 3.186 181 HB3 ARG 25 1HB ARG 25 6.229 -5.808 4.039 182 HG2 ARG 25 2HG ARG 25 6.733 -7.110 6.146 183 HG3 ARG 25 1HG ARG 25 7.700 -8.155 5.084 184 HD2 ARG 25 2HD ARG 25 9.163 -6.492 6.035 185 HD3 ARG 25 1HD ARG 25 8.922 -6.112 4.326 186 HE ARG 25 HE ARG 25 6.983 -4.720 5.678 187 HH11 ARG 25 1HH1 ARG 25 10.531 -4.667 5.592 188 HH12 ARG 25 2HH1 ARG 25 10.615 -3.060 6.183 189 HH21 ARG 25 1HH2 ARG 25 7.129 -2.618 6.471 190 HH22 ARG 25 2HH2 ARG 25 8.652 -1.869 6.711 191 H ASP 26 H ASP 26 4.063 -5.266 4.047 192 HA ASP 26 HA ASP 26 3.251 -5.047 6.821 193 HB2 ASP 26 2HB ASP 26 3.393 -3.052 4.578 194 HB3 ASP 26 1HB ASP 26 2.776 -2.718 6.169 195 H ARG 27 H ARG 27 1.872 -5.642 3.675 196 HA ARG 27 HA ARG 27 -0.054 -5.527 2.727 197 HB2 ARG 27 2HB ARG 27 -1.198 -6.259 5.418 198 HB3 ARG 27 1HB ARG 27 -1.851 -6.519 3.788 199 HG2 ARG 27 2HG ARG 27 0.027 -7.987 3.281 200 HG3 ARG 27 1HG ARG 27 0.565 -7.832 4.953 201 HD2 ARG 27 2HD ARG 27 -0.644 -9.846 4.782 202 HD3 ARG 27 1HD ARG 27 -1.679 -8.710 5.647 203 HE ARG 27 HE ARG 27 -1.975 -9.351 2.777 204 HH11 ARG 27 1HH1 ARG 27 -3.477 -8.554 5.898 205 HH12 ARG 27 2HH1 ARG 27 -5.051 -8.868 5.345 206 HH21 ARG 27 1HH2 ARG 27 -4.108 -9.799 2.081 207 HH22 ARG 27 2HH2 ARG 27 -5.435 -9.598 3.127 208 H TRP 28 H TRP 28 0.805 -2.997 4.154 209 HA TRP 28 HA TRP 28 -1.804 -1.770 3.894 210 HB2 TRP 28 2HB TRP 28 -0.954 0.161 5.213 211 HB3 TRP 28 1HB TRP 28 -0.928 -1.332 6.098 212 HD1 TRP 28 HD TRP 28 1.936 -0.096 3.809 213 HE1 TRP 28 1HE TRP 28 4.022 0.259 5.362 214 HE3 TRP 28 3HE TRP 28 -0.213 -0.998 8.243 215 HZ2 TRP 28 2HZ TRP 28 4.603 0.198 8.083 216 HZ3 TRP 28 3HZ TRP 28 1.098 -0.820 10.300 217 HH2 TRP 28 HH TRP 28 3.488 -0.233 10.226 218 H CYS 29 H CYS 29 -1.479 0.593 3.149 219 HA CYS 29 HA CYS 29 -0.235 0.409 0.539 220 HB2 CYS 29 2HB CYS 29 -2.530 1.395 1.009 221 HB3 CYS 29 1HB CYS 29 -1.702 2.711 1.832 222 H LYS 30 H LYS 30 1.896 0.566 0.659 223 HA LYS 30 HA LYS 30 3.099 2.250 2.675 224 HB2 LYS 30 2HB LYS 30 3.594 -0.216 2.253 225 HB3 LYS 30 1HB LYS 30 4.335 0.299 0.753 226 HG2 LYS 30 2HG LYS 30 5.909 1.649 2.007 227 HG3 LYS 30 1HG LYS 30 5.153 1.094 3.514 228 HD2 LYS 30 2HD LYS 30 5.652 -1.249 2.825 229 HD3 LYS 30 1HD LYS 30 6.551 -0.611 1.451 230 HE2 LYS 30 2HE LYS 30 8.078 -1.180 3.221 231 HE3 LYS 30 1HE LYS 30 8.040 0.576 3.046 232 HZ1 LYS 30 1HZ LYS 30 6.562 0.683 4.942 233 HZ2 LYS 30 2HZ LYS 30 7.969 -0.114 5.368 234 HZ3 LYS 30 3HZ LYS 30 6.556 -1.000 5.078 235 H TYR 31 H TYR 31 4.590 3.855 2.013 236 HA TYR 31 HA TYR 31 4.148 5.098 -0.490 237 HB2 TYR 31 2HB TYR 31 5.052 6.201 1.659 238 HB3 TYR 31 1HB TYR 31 6.583 5.424 1.236 239 HD1 TYR 31 1HD TYR 31 8.088 6.462 -0.244 240 HD2 TYR 31 2HD TYR 31 4.062 7.821 -0.053 241 HE1 TYR 31 1HE TYR 31 8.657 8.353 -1.708 242 HE2 TYR 31 2HE TYR 31 4.618 9.706 -1.505 243 HH TYR 31 HH TYR 31 6.499 10.976 -2.233 244 H TYR 32 H TYR 32 5.212 4.804 -2.384 245 HA TYR 32 HA TYR 32 6.766 2.415 -2.524 246 HB2 TYR 32 2HB TYR 32 5.093 3.020 -4.214 247 HB3 TYR 32 1HB TYR 32 6.126 4.336 -4.767 248 HD1 TYR 32 1HD TYR 32 8.200 3.811 -5.982 249 HD2 TYR 32 2HD TYR 32 5.590 0.776 -4.645 250 HE1 TYR 32 1HE TYR 32 9.326 2.209 -7.473 251 HE2 TYR 32 2HE TYR 32 6.681 -0.857 -6.115 252 HH TYR 32 HH TYR 32 9.642 -0.178 -7.728 253 H LEU 33 H LEU 33 8.736 2.340 -2.189 254 HA LEU 33 HA LEU 33 10.443 4.693 -2.221 255 HB2 LEU 33 2HB LEU 33 11.070 1.839 -1.467 256 HB3 LEU 33 1HB LEU 33 12.095 3.227 -1.181 257 HG LEU 33 HG LEU 33 9.413 2.734 0.116 258 HD11 LEU 33 1HD1 LEU 33 11.125 1.181 0.877 259 HD12 LEU 33 2HD1 LEU 33 10.692 2.330 2.138 260 HD13 LEU 33 3HD1 LEU 33 12.199 2.531 1.242 261 HD21 LEU 33 1HD2 LEU 33 11.472 4.885 0.598 262 HD22 LEU 33 2HD2 LEU 33 10.014 4.625 1.555 263 HD23 LEU 33 3HD2 LEU 33 9.885 5.117 -0.133 264 HN1 NH2 34 1H LEU 33 10.490 4.986 -4.475 265 HN2 NH2 34 2H LEU 33 11.407 3.968 -5.519 Start of MODEL 15 1 H1 ASP 1 1HT ASP 1 -11.724 4.902 -5.259 2 H2 ASP 1 2HT ASP 1 -13.034 5.098 -4.196 3 H3 ASP 1 3HT ASP 1 -12.009 3.759 -4.068 4 HA ASP 1 HA ASP 1 -11.140 6.540 -3.607 5 HB2 ASP 1 2HB ASP 1 -10.971 5.927 -1.289 6 HB3 ASP 1 1HB ASP 1 -12.611 5.571 -1.811 7 H CYS 2 H CYS 2 -9.012 6.439 -2.517 8 HA CYS 2 HA CYS 2 -7.542 4.109 -3.427 9 HB2 CYS 2 2HB CYS 2 -5.546 5.585 -3.642 10 HB3 CYS 2 1HB CYS 2 -6.753 5.793 -4.879 11 H LEU 3 H LEU 3 -5.452 4.012 -2.279 12 HA LEU 3 HA LEU 3 -6.165 4.163 0.554 13 HB2 LEU 3 2HB LEU 3 -4.171 2.366 -0.821 14 HB3 LEU 3 1HB LEU 3 -4.628 2.307 0.866 15 HG LEU 3 HG LEU 3 -6.436 1.673 -1.467 16 HD11 LEU 3 1HD1 LEU 3 -6.339 -0.604 -0.652 17 HD12 LEU 3 2HD1 LEU 3 -5.211 -0.108 0.607 18 HD13 LEU 3 3HD1 LEU 3 -4.733 -0.017 -1.092 19 HD21 LEU 3 1HD2 LEU 3 -7.703 2.626 0.361 20 HD22 LEU 3 2HD2 LEU 3 -6.933 1.521 1.498 21 HD23 LEU 3 3HD2 LEU 3 -8.004 0.891 0.247 22 H GLY 4 H GLY 4 -4.894 5.301 1.872 23 HA2 GLY 4 2HA GLY 4 -2.860 6.744 0.554 24 HA3 GLY 4 1HA GLY 4 -3.403 7.049 2.220 25 H TRP 5 H TRP 5 -2.327 5.843 3.957 26 HA TRP 5 HA TRP 5 -0.250 4.176 2.961 27 HB2 TRP 5 2HB TRP 5 0.435 6.364 4.023 28 HB3 TRP 5 1HB TRP 5 -0.155 5.685 5.529 29 HD1 TRP 5 HD TRP 5 0.972 2.843 5.574 30 HE1 TRP 5 1HE TRP 5 3.487 2.304 5.652 31 HE3 TRP 5 3HE TRP 5 2.747 7.267 3.792 32 HZ2 TRP 5 2HZ TRP 5 5.927 3.635 5.050 33 HZ3 TRP 5 3HZ TRP 5 5.185 7.565 3.576 34 HH2 TRP 5 HH TRP 5 6.732 5.786 4.196 35 H PHE 6 H PHE 6 -1.865 4.733 5.911 36 HA PHE 6 HA PHE 6 -1.326 2.007 6.760 37 HB2 PHE 6 2HB PHE 6 -2.791 4.234 8.201 38 HB3 PHE 6 1HB PHE 6 -2.283 2.704 8.911 39 HD1 PHE 6 1HD PHE 6 0.094 2.252 9.262 40 HD2 PHE 6 2HD PHE 6 -1.309 6.029 7.892 41 HE1 PHE 6 1HE PHE 6 2.222 3.276 9.898 42 HE2 PHE 6 2HE PHE 6 0.823 7.052 8.525 43 HZ PHE 6 HZ PHE 6 2.584 5.677 9.531 44 H LYS 7 H LYS 7 -3.107 2.235 4.601 45 HA LYS 7 HA LYS 7 -5.551 1.135 5.788 46 HB2 LYS 7 2HB LYS 7 -4.977 1.908 2.945 47 HB3 LYS 7 1HB LYS 7 -6.453 1.197 3.527 48 HG2 LYS 7 2HG LYS 7 -5.421 3.891 4.389 49 HG3 LYS 7 1HG LYS 7 -6.705 3.622 3.205 50 HD2 LYS 7 2HD LYS 7 -8.002 2.431 4.961 51 HD3 LYS 7 1HD LYS 7 -6.745 2.849 6.125 52 HE2 LYS 7 2HE LYS 7 -8.556 4.396 6.331 53 HE3 LYS 7 1HE LYS 7 -7.161 5.235 5.664 54 HZ1 LYS 7 1HZ LYS 7 -9.495 4.247 4.092 55 HZ2 LYS 7 2HZ LYS 7 -8.163 5.056 3.452 56 HZ3 LYS 7 3HZ LYS 7 -9.188 5.849 4.520 57 H SER 8 H SER 8 -6.200 -0.915 5.163 58 HA SER 8 HA SER 8 -4.143 -2.764 4.814 59 HB2 SER 8 2HB SER 8 -7.017 -3.301 4.427 60 HB3 SER 8 1HB SER 8 -5.788 -4.228 5.274 61 HG SER 8 HG SER 8 -5.713 -2.509 6.857 62 H CYS 9 H CYS 9 -3.529 -3.588 2.959 63 HA CYS 9 HA CYS 9 -5.237 -3.333 0.608 64 HB2 CYS 9 2HB CYS 9 -3.718 -1.530 0.494 65 HB3 CYS 9 1HB CYS 9 -2.345 -2.641 0.689 66 H ASP 10 H ASP 10 -4.418 -4.551 -1.094 67 HA ASP 10 HA ASP 10 -3.197 -7.105 -0.268 68 HB2 ASP 10 2HB ASP 10 -5.683 -7.319 -0.572 69 HB3 ASP 10 1HB ASP 10 -5.483 -6.769 -2.234 70 HA PRO 11 HA PRO 11 -0.417 -5.624 -3.404 71 HB2 PRO 11 2HB PRO 11 0.679 -8.074 -4.003 72 HB3 PRO 11 1HB PRO 11 1.264 -6.993 -2.718 73 HG2 PRO 11 2HG PRO 11 -0.522 -9.380 -2.579 74 HG3 PRO 11 1HG PRO 11 0.726 -8.838 -1.441 75 HD2 PRO 11 2HD PRO 11 -1.869 -8.492 -0.938 76 HD3 PRO 11 1HD PRO 11 -0.677 -7.254 -0.477 77 H LYS 12 H LYS 12 -2.524 -8.326 -3.987 78 HA LYS 12 HA LYS 12 -2.030 -8.261 -6.839 79 HB2 LYS 12 2HB LYS 12 -4.069 -9.818 -5.260 80 HB3 LYS 12 1HB LYS 12 -3.675 -10.071 -6.955 81 HG2 LYS 12 2HG LYS 12 -1.473 -10.820 -6.378 82 HG3 LYS 12 1HG LYS 12 -1.736 -10.408 -4.681 83 HD2 LYS 12 2HD LYS 12 -3.602 -12.049 -4.633 84 HD3 LYS 12 1HD LYS 12 -3.184 -12.498 -6.287 85 HE2 LYS 12 2HE LYS 12 -0.985 -13.212 -5.573 86 HE3 LYS 12 1HE LYS 12 -1.319 -12.665 -3.935 87 HZ1 LYS 12 1HZ LYS 12 -1.573 -15.047 -4.156 88 HZ2 LYS 12 2HZ LYS 12 -2.752 -14.861 -5.334 89 HZ3 LYS 12 3HZ LYS 12 -3.046 -14.342 -3.750 90 H ASN 13 H ASN 13 -3.945 -6.658 -4.650 91 HA ASN 13 HA ASN 13 -5.706 -5.667 -6.801 92 HB2 ASN 13 2HB ASN 13 -6.813 -7.348 -5.171 93 HB3 ASN 13 1HB ASN 13 -6.667 -6.082 -3.964 94 HD21 ASN 13 1HD2 ASN 13 -9.070 -7.256 -4.973 95 HD22 ASN 13 2HD2 ASN 13 -10.010 -5.997 -5.677 96 H ASP 14 H ASP 14 -3.426 -4.580 -6.133 97 HA ASP 14 HA ASP 14 -3.296 -2.730 -4.036 98 HB2 ASP 14 2HB ASP 14 -1.421 -3.395 -5.470 99 HB3 ASP 14 1HB ASP 14 -2.130 -2.425 -6.774 100 H LYS 15 H LYS 15 -4.343 -1.040 -3.686 101 HA LYS 15 HA LYS 15 -5.661 0.448 -5.847 102 HB2 LYS 15 2HB LYS 15 -7.173 -1.009 -4.429 103 HB3 LYS 15 1HB LYS 15 -6.796 0.055 -3.077 104 HG2 LYS 15 2HG LYS 15 -7.679 1.942 -4.257 105 HG3 LYS 15 1HG LYS 15 -7.950 0.927 -5.674 106 HD2 LYS 15 2HD LYS 15 -10.060 1.333 -4.500 107 HD3 LYS 15 1HD LYS 15 -9.626 -0.371 -4.391 108 HE2 LYS 15 2HE LYS 15 -8.870 -0.073 -2.119 109 HE3 LYS 15 1HE LYS 15 -9.079 1.671 -2.239 110 HZ1 LYS 15 1HZ LYS 15 -11.328 -0.246 -2.521 111 HZ2 LYS 15 2HZ LYS 15 -11.417 1.441 -2.286 112 HZ3 LYS 15 3HZ LYS 15 -10.880 0.450 -1.065 113 H CYS 16 H CYS 16 -3.148 0.731 -4.612 114 HA CYS 16 HA CYS 16 -3.186 2.744 -2.655 115 HB2 CYS 16 2HB CYS 16 -1.118 1.501 -4.353 116 HB3 CYS 16 1HB CYS 16 -0.764 2.984 -3.461 117 H CYS 17 H CYS 17 -2.675 4.870 -2.758 118 HA CYS 17 HA CYS 17 -3.723 6.047 -5.130 119 HB2 CYS 17 2HB CYS 17 -4.029 6.677 -2.530 120 HB3 CYS 17 1HB CYS 17 -2.699 7.743 -2.927 121 H LYS 18 H LYS 18 -2.298 8.489 -4.896 122 HA LYS 18 HA LYS 18 -0.430 8.042 -6.909 123 HB2 LYS 18 2HB LYS 18 -1.710 10.087 -6.511 124 HB3 LYS 18 1HB LYS 18 -0.634 10.443 -5.165 125 HG2 LYS 18 2HG LYS 18 1.239 10.523 -6.565 126 HG3 LYS 18 1HG LYS 18 0.292 9.904 -7.919 127 HD2 LYS 18 2HD LYS 18 -0.290 12.500 -6.562 128 HD3 LYS 18 1HD LYS 18 0.825 12.376 -7.935 129 HE2 LYS 18 2HE LYS 18 -1.256 13.058 -8.869 130 HE3 LYS 18 1HE LYS 18 -1.140 11.341 -9.205 131 HZ1 LYS 18 1HZ LYS 18 -2.688 12.509 -6.954 132 HZ2 LYS 18 2HZ LYS 18 -2.769 10.891 -7.478 133 HZ3 LYS 18 3HZ LYS 18 -3.334 12.127 -8.436 134 H ASN 19 H ASN 19 1.385 7.096 -6.827 135 HA ASN 19 HA ASN 19 3.516 6.595 -6.450 136 HB2 ASN 19 2HB ASN 19 3.612 9.120 -6.131 137 HB3 ASN 19 1HB ASN 19 3.759 8.787 -4.408 138 HD21 ASN 19 1HD2 ASN 19 5.881 9.478 -4.194 139 HD22 ASN 19 2HD2 ASN 19 7.218 8.644 -4.897 140 H TYR 20 H TYR 20 1.322 5.744 -4.717 141 HA TYR 20 HA TYR 20 2.932 4.574 -2.554 142 HB2 TYR 20 2HB TYR 20 -0.037 4.785 -2.947 143 HB3 TYR 20 1HB TYR 20 0.691 3.770 -1.727 144 HD1 TYR 20 1HD TYR 20 2.047 4.898 0.102 145 HD2 TYR 20 2HD TYR 20 -0.481 7.041 -2.551 146 HE1 TYR 20 1HE TYR 20 1.923 6.725 1.719 147 HE2 TYR 20 2HE TYR 20 -0.614 8.884 -0.948 148 HH TYR 20 HH TYR 20 -0.397 9.107 1.515 149 H THR 21 H THR 21 2.340 2.228 -2.115 150 HA THR 21 HA THR 21 1.270 0.541 -4.153 151 HB THR 21 HB THR 21 4.151 0.155 -3.531 152 HG1 THR 21 1HG THR 21 3.042 1.951 -5.250 153 HG21 THR 21 1HG2 THR 21 2.999 -1.763 -4.395 154 HG22 THR 21 2HG2 THR 21 4.151 -1.182 -5.610 155 HG23 THR 21 3HG2 THR 21 2.432 -0.828 -5.788 156 H CYS 22 H CYS 22 0.627 -1.282 -2.969 157 HA CYS 22 HA CYS 22 1.318 -1.046 -0.236 158 HB2 CYS 22 2HB CYS 22 -0.380 -2.722 0.150 159 HB3 CYS 22 1HB CYS 22 -0.980 -1.206 -0.518 160 H SER 23 H SER 23 1.847 -2.557 1.165 161 HA SER 23 HA SER 23 3.843 -4.408 0.160 162 HB2 SER 23 2HB SER 23 4.481 -2.804 1.935 163 HB3 SER 23 1HB SER 23 3.160 -3.388 2.936 164 HG SER 23 HG SER 23 5.655 -4.401 2.533 165 H ARG 24 H ARG 24 3.864 -6.552 1.155 166 HA ARG 24 HA ARG 24 1.144 -7.530 1.668 167 HB2 ARG 24 2HB ARG 24 2.692 -8.418 -0.247 168 HB3 ARG 24 1HB ARG 24 3.507 -9.259 1.068 169 HG2 ARG 24 2HG ARG 24 0.576 -9.583 0.377 170 HG3 ARG 24 1HG ARG 24 1.850 -10.687 -0.134 171 HD2 ARG 24 2HD ARG 24 1.117 -10.038 2.705 172 HD3 ARG 24 1HD ARG 24 0.512 -11.434 1.824 173 HE ARG 24 HE ARG 24 3.074 -11.845 1.560 174 HH11 ARG 24 1HH1 ARG 24 1.570 -10.517 4.475 175 HH12 ARG 24 2HH1 ARG 24 2.435 -11.493 5.561 176 HH21 ARG 24 1HH2 ARG 24 4.299 -13.206 3.074 177 HH22 ARG 24 2HH2 ARG 24 4.002 -13.068 4.742 178 H ARG 25 H ARG 25 4.463 -7.424 2.740 179 HA ARG 25 HA ARG 25 4.237 -9.112 4.981 180 HB2 ARG 25 2HB ARG 25 6.298 -7.983 3.704 181 HB3 ARG 25 1HB ARG 25 6.077 -6.752 4.930 182 HG2 ARG 25 2HG ARG 25 6.715 -9.661 5.377 183 HG3 ARG 25 1HG ARG 25 7.810 -8.300 5.562 184 HD2 ARG 25 2HD ARG 25 5.370 -8.905 7.232 185 HD3 ARG 25 1HD ARG 25 7.049 -9.089 7.725 186 HE ARG 25 HE ARG 25 6.645 -6.441 6.954 187 HH11 ARG 25 1HH1 ARG 25 5.862 -8.651 9.590 188 HH12 ARG 25 2HH1 ARG 25 5.431 -7.433 10.697 189 HH21 ARG 25 1HH2 ARG 25 6.000 -4.742 8.457 190 HH22 ARG 25 2HH2 ARG 25 5.550 -5.182 10.039 191 H ASP 26 H ASP 26 4.163 -5.542 4.559 192 HA ASP 26 HA ASP 26 3.202 -5.162 7.224 193 HB2 ASP 26 2HB ASP 26 3.593 -3.174 4.976 194 HB3 ASP 26 1HB ASP 26 3.149 -2.828 6.611 195 H ARG 27 H ARG 27 1.829 -5.772 4.113 196 HA ARG 27 HA ARG 27 0.003 -5.357 3.077 197 HB2 ARG 27 2HB ARG 27 -0.707 -6.645 5.596 198 HB3 ARG 27 1HB ARG 27 -2.024 -5.942 4.639 199 HG2 ARG 27 2HG ARG 27 -1.337 -7.277 2.730 200 HG3 ARG 27 1HG ARG 27 0.012 -7.925 3.665 201 HD2 ARG 27 2HD ARG 27 -1.602 -8.868 5.264 202 HD3 ARG 27 1HD ARG 27 -2.915 -8.285 4.250 203 HE ARG 27 HE ARG 27 -2.084 -9.776 2.494 204 HH11 ARG 27 1HH1 ARG 27 -1.001 -10.428 5.825 205 HH12 ARG 27 2HH1 ARG 27 -0.864 -12.109 5.589 206 HH21 ARG 27 1HH2 ARG 27 -1.843 -12.094 2.178 207 HH22 ARG 27 2HH2 ARG 27 -1.352 -13.069 3.500 208 H TRP 28 H TRP 28 0.910 -2.939 4.408 209 HA TRP 28 HA TRP 28 -1.628 -1.538 4.115 210 HB2 TRP 28 2HB TRP 28 -0.539 0.419 5.209 211 HB3 TRP 28 1HB TRP 28 -0.638 -0.989 6.235 212 HD1 TRP 28 HD TRP 28 2.284 -0.453 3.760 213 HE1 TRP 28 1HE TRP 28 4.446 -0.163 5.188 214 HE3 TRP 28 3HE TRP 28 0.155 -0.330 8.289 215 HZ2 TRP 28 2HZ TRP 28 5.090 0.131 7.930 216 HZ3 TRP 28 3HZ TRP 28 1.548 -0.025 10.308 217 HH2 TRP 28 HH TRP 28 3.979 0.197 10.121 218 H CYS 29 H CYS 29 -1.126 0.723 3.177 219 HA CYS 29 HA CYS 29 0.077 0.254 0.555 220 HB2 CYS 29 2HB CYS 29 -2.208 1.257 0.888 221 HB3 CYS 29 1HB CYS 29 -1.426 2.614 1.685 222 H LYS 30 H LYS 30 2.173 0.458 0.511 223 HA LYS 30 HA LYS 30 3.498 2.120 2.453 224 HB2 LYS 30 2HB LYS 30 4.087 -0.260 1.995 225 HB3 LYS 30 1HB LYS 30 4.467 0.186 0.347 226 HG2 LYS 30 2HG LYS 30 6.256 1.619 1.172 227 HG3 LYS 30 1HG LYS 30 5.863 1.103 2.824 228 HD2 LYS 30 2HD LYS 30 6.298 -1.228 2.204 229 HD3 LYS 30 1HD LYS 30 6.718 -0.722 0.571 230 HE2 LYS 30 2HE LYS 30 8.570 0.607 1.485 231 HE3 LYS 30 1HE LYS 30 8.137 0.055 3.102 232 HZ1 LYS 30 1HZ LYS 30 9.925 -1.271 2.269 233 HZ2 LYS 30 2HZ LYS 30 9.096 -1.607 0.860 234 HZ3 LYS 30 3HZ LYS 30 8.540 -2.237 2.325 235 H TYR 31 H TYR 31 4.856 3.841 1.711 236 HA TYR 31 HA TYR 31 4.015 5.047 -0.736 237 HB2 TYR 31 2HB TYR 31 4.828 6.252 1.402 238 HB3 TYR 31 1HB TYR 31 6.447 5.808 0.863 239 HD1 TYR 31 1HD TYR 31 3.388 7.356 -0.614 240 HD2 TYR 31 2HD TYR 31 7.617 7.484 -0.228 241 HE1 TYR 31 1HE TYR 31 3.436 9.368 -1.989 242 HE2 TYR 31 2HE TYR 31 7.677 9.515 -1.611 243 HH TYR 31 HH TYR 31 4.915 11.308 -2.359 244 H TYR 32 H TYR 32 5.082 5.058 -2.698 245 HA TYR 32 HA TYR 32 6.936 2.936 -3.018 246 HB2 TYR 32 2HB TYR 32 5.337 3.230 -4.757 247 HB3 TYR 32 1HB TYR 32 5.755 4.914 -4.971 248 HD1 TYR 32 1HD TYR 32 7.019 1.464 -5.368 249 HD2 TYR 32 2HD TYR 32 7.422 5.532 -6.465 250 HE1 TYR 32 1HE TYR 32 8.600 0.815 -7.130 251 HE2 TYR 32 2HE TYR 32 8.999 4.924 -8.235 252 HH TYR 32 HH TYR 32 10.513 3.117 -8.734 253 H LEU 33 H LEU 33 8.937 2.982 -3.018 254 HA LEU 33 HA LEU 33 10.332 5.507 -2.561 255 HB2 LEU 33 2HB LEU 33 11.267 2.697 -1.991 256 HB3 LEU 33 1HB LEU 33 12.019 4.182 -1.455 257 HG LEU 33 HG LEU 33 9.349 3.116 -0.538 258 HD11 LEU 33 1HD1 LEU 33 10.450 2.831 1.616 259 HD12 LEU 33 2HD1 LEU 33 11.981 3.322 0.894 260 HD13 LEU 33 3HD1 LEU 33 11.187 1.843 0.353 261 HD21 LEU 33 1HD2 LEU 33 9.402 4.955 1.108 262 HD22 LEU 33 2HD2 LEU 33 9.303 5.540 -0.550 263 HD23 LEU 33 3HD2 LEU 33 10.838 5.606 0.314 264 HN1 NH2 34 1H LEU 33 10.649 6.099 -4.664 265 HN2 NH2 34 2H LEU 33 11.648 5.238 -5.778 Start of MODEL 16 1 H1 ASP 1 1HT ASP 1 -11.309 3.820 -5.262 2 H2 ASP 1 2HT ASP 1 -12.800 4.281 -4.628 3 H3 ASP 1 3HT ASP 1 -11.849 3.070 -3.875 4 HA ASP 1 HA ASP 1 -10.972 5.849 -4.179 5 HB2 ASP 1 2HB ASP 1 -11.965 4.375 -1.719 6 HB3 ASP 1 1HB ASP 1 -11.189 5.946 -1.688 7 H CYS 2 H CYS 2 -8.986 6.169 -3.097 8 HA CYS 2 HA CYS 2 -7.476 3.709 -3.175 9 HB2 CYS 2 2HB CYS 2 -5.485 5.180 -3.297 10 HB3 CYS 2 1HB CYS 2 -6.553 5.312 -4.665 11 H LEU 3 H LEU 3 -5.392 4.178 -1.723 12 HA LEU 3 HA LEU 3 -6.508 4.450 0.956 13 HB2 LEU 3 2HB LEU 3 -4.457 2.574 -0.119 14 HB3 LEU 3 1HB LEU 3 -4.917 2.677 1.576 15 HG LEU 3 HG LEU 3 -6.705 1.806 -0.708 16 HD11 LEU 3 1HD1 LEU 3 -5.500 0.263 1.553 17 HD12 LEU 3 2HD1 LEU 3 -5.047 0.171 -0.153 18 HD13 LEU 3 3HD1 LEU 3 -6.647 -0.362 0.369 19 HD21 LEU 3 1HD2 LEU 3 -7.275 1.986 2.249 20 HD22 LEU 3 2HD2 LEU 3 -8.310 1.205 1.059 21 HD23 LEU 3 3HD2 LEU 3 -8.028 2.944 0.970 22 H GLY 4 H GLY 4 -5.034 5.187 2.511 23 HA2 GLY 4 2HA GLY 4 -3.085 6.892 1.310 24 HA3 GLY 4 1HA GLY 4 -3.699 7.058 2.963 25 H TRP 5 H TRP 5 -2.844 5.406 4.614 26 HA TRP 5 HA TRP 5 -0.470 4.194 3.664 27 HB2 TRP 5 2HB TRP 5 -0.278 6.450 4.881 28 HB3 TRP 5 1HB TRP 5 -0.627 5.500 6.311 29 HD1 TRP 5 HD TRP 5 1.109 3.078 6.194 30 HE1 TRP 5 1HE TRP 5 3.690 3.126 6.046 31 HE3 TRP 5 3HE TRP 5 1.694 7.772 4.323 32 HZ2 TRP 5 2HZ TRP 5 5.704 4.954 5.235 33 HZ3 TRP 5 3HZ TRP 5 3.966 8.606 3.886 34 HH2 TRP 5 HH TRP 5 5.925 7.221 4.333 35 H PHE 6 H PHE 6 -1.921 4.336 6.756 36 HA PHE 6 HA PHE 6 -1.332 1.491 7.125 37 HB2 PHE 6 2HB PHE 6 -2.654 3.423 9.053 38 HB3 PHE 6 1HB PHE 6 -2.015 1.829 9.449 39 HD1 PHE 6 1HD PHE 6 0.476 1.465 9.160 40 HD2 PHE 6 2HD PHE 6 -1.364 5.301 9.170 41 HE1 PHE 6 1HE PHE 6 2.625 2.492 9.719 42 HE2 PHE 6 2HE PHE 6 0.787 6.335 9.718 43 HZ PHE 6 HZ PHE 6 2.781 4.927 9.998 44 H LYS 7 H LYS 7 -3.298 2.099 5.231 45 HA LYS 7 HA LYS 7 -5.689 0.879 6.393 46 HB2 LYS 7 2HB LYS 7 -5.247 1.884 3.599 47 HB3 LYS 7 1HB LYS 7 -6.750 1.345 4.288 48 HG2 LYS 7 2HG LYS 7 -5.258 3.818 5.162 49 HG3 LYS 7 1HG LYS 7 -6.716 3.787 4.170 50 HD2 LYS 7 2HD LYS 7 -7.939 2.721 6.024 51 HD3 LYS 7 1HD LYS 7 -6.479 2.781 7.009 52 HE2 LYS 7 2HE LYS 7 -7.904 4.612 7.631 53 HE3 LYS 7 1HE LYS 7 -6.487 5.242 6.795 54 HZ1 LYS 7 1HZ LYS 7 -9.135 4.811 5.544 55 HZ2 LYS 7 2HZ LYS 7 -7.824 5.530 4.793 56 HZ3 LYS 7 3HZ LYS 7 -8.592 6.287 6.102 57 H SER 8 H SER 8 -6.335 -1.134 5.619 58 HA SER 8 HA SER 8 -4.210 -2.848 5.041 59 HB2 SER 8 2HB SER 8 -7.140 -3.369 5.024 60 HB3 SER 8 1HB SER 8 -5.820 -4.473 5.330 61 HG SER 8 HG SER 8 -6.821 -2.483 7.052 62 H CYS 9 H CYS 9 -3.839 -3.831 3.195 63 HA CYS 9 HA CYS 9 -5.578 -3.655 0.899 64 HB2 CYS 9 2HB CYS 9 -4.446 -1.546 0.898 65 HB3 CYS 9 1HB CYS 9 -2.887 -2.387 0.908 66 H ASP 10 H ASP 10 -4.274 -4.526 -0.929 67 HA ASP 10 HA ASP 10 -2.402 -6.593 -0.115 68 HB2 ASP 10 2HB ASP 10 -4.637 -7.573 -0.071 69 HB3 ASP 10 1HB ASP 10 -4.855 -7.114 -1.751 70 HA PRO 11 HA PRO 11 -0.303 -4.751 -3.558 71 HB2 PRO 11 2HB PRO 11 1.234 -7.024 -4.068 72 HB3 PRO 11 1HB PRO 11 1.692 -5.663 -3.034 73 HG2 PRO 11 2HG PRO 11 0.620 -8.334 -2.287 74 HG3 PRO 11 1HG PRO 11 1.707 -7.237 -1.415 75 HD2 PRO 11 2HD PRO 11 -0.838 -7.589 -0.726 76 HD3 PRO 11 1HD PRO 11 -0.005 -6.035 -0.512 77 H LYS 12 H LYS 12 -1.812 -7.867 -3.742 78 HA LYS 12 HA LYS 12 -1.572 -8.104 -6.612 79 HB2 LYS 12 2HB LYS 12 -3.090 -9.733 -4.577 80 HB3 LYS 12 1HB LYS 12 -2.923 -10.149 -6.275 81 HG2 LYS 12 2HG LYS 12 -0.559 -10.452 -6.036 82 HG3 LYS 12 1HG LYS 12 -0.602 -9.828 -4.390 83 HD2 LYS 12 2HD LYS 12 -0.440 -12.277 -4.447 84 HD3 LYS 12 1HD LYS 12 -1.917 -11.733 -3.668 85 HE2 LYS 12 2HE LYS 12 -3.182 -12.199 -5.695 86 HE3 LYS 12 1HE LYS 12 -1.705 -12.667 -6.536 87 HZ1 LYS 12 1HZ LYS 12 -2.885 -14.045 -4.179 88 HZ2 LYS 12 2HZ LYS 12 -1.463 -14.501 -4.966 89 HZ3 LYS 12 3HZ LYS 12 -2.926 -14.585 -5.767 90 H ASN 13 H ASN 13 -3.508 -6.468 -4.499 91 HA ASN 13 HA ASN 13 -5.613 -5.991 -6.483 92 HB2 ASN 13 2HB ASN 13 -6.203 -7.759 -4.744 93 HB3 ASN 13 1HB ASN 13 -6.029 -6.512 -3.532 94 HD21 ASN 13 1HD2 ASN 13 -8.312 -8.126 -4.176 95 HD22 ASN 13 2HD2 ASN 13 -9.595 -7.059 -4.595 96 H ASP 14 H ASP 14 -3.436 -4.527 -6.095 97 HA ASP 14 HA ASP 14 -3.331 -2.730 -3.946 98 HB2 ASP 14 2HB ASP 14 -1.459 -3.048 -5.528 99 HB3 ASP 14 1HB ASP 14 -2.385 -2.139 -6.736 100 H LYS 15 H LYS 15 -4.448 -1.199 -3.401 101 HA LYS 15 HA LYS 15 -6.217 0.187 -5.276 102 HB2 LYS 15 2HB LYS 15 -6.733 -0.869 -2.527 103 HB3 LYS 15 1HB LYS 15 -7.684 0.435 -3.206 104 HG2 LYS 15 2HG LYS 15 -7.395 -2.318 -4.429 105 HG3 LYS 15 1HG LYS 15 -8.763 -1.796 -3.442 106 HD2 LYS 15 2HD LYS 15 -9.199 0.012 -5.094 107 HD3 LYS 15 1HD LYS 15 -7.908 -0.640 -6.098 108 HE2 LYS 15 2HE LYS 15 -10.383 -2.147 -5.262 109 HE3 LYS 15 1HE LYS 15 -10.152 -1.361 -6.821 110 HZ1 LYS 15 1HZ LYS 15 -8.534 -3.646 -5.773 111 HZ2 LYS 15 2HZ LYS 15 -8.287 -2.864 -7.240 112 HZ3 LYS 15 3HZ LYS 15 -9.692 -3.711 -6.980 113 H CYS 16 H CYS 16 -3.544 0.827 -4.341 114 HA CYS 16 HA CYS 16 -3.957 3.002 -2.501 115 HB2 CYS 16 2HB CYS 16 -1.554 1.811 -3.825 116 HB3 CYS 16 1HB CYS 16 -1.465 3.314 -2.910 117 H CYS 17 H CYS 17 -2.934 5.101 -3.076 118 HA CYS 17 HA CYS 17 -3.776 5.821 -5.737 119 HB2 CYS 17 2HB CYS 17 -3.568 7.219 -3.189 120 HB3 CYS 17 1HB CYS 17 -2.827 8.119 -4.494 121 H LYS 18 H LYS 18 -2.214 7.876 -6.230 122 HA LYS 18 HA LYS 18 0.053 6.723 -7.394 123 HB2 LYS 18 2HB LYS 18 -1.159 8.609 -8.335 124 HB3 LYS 18 1HB LYS 18 -0.718 9.590 -6.945 125 HG2 LYS 18 2HG LYS 18 1.570 9.459 -7.516 126 HG3 LYS 18 1HG LYS 18 1.203 8.371 -8.863 127 HD2 LYS 18 2HD LYS 18 -0.156 10.146 -9.886 128 HD3 LYS 18 1HD LYS 18 0.288 11.232 -8.568 129 HE2 LYS 18 2HE LYS 18 1.658 11.626 -10.569 130 HE3 LYS 18 1HE LYS 18 2.633 11.085 -9.202 131 HZ1 LYS 18 1HZ LYS 18 1.698 9.352 -11.430 132 HZ2 LYS 18 2HZ LYS 18 2.689 8.876 -10.145 133 HZ3 LYS 18 3HZ LYS 18 3.251 9.986 -11.264 134 H ASN 19 H ASN 19 2.163 6.707 -6.772 135 HA ASN 19 HA ASN 19 4.060 6.981 -5.637 136 HB2 ASN 19 2HB ASN 19 3.377 9.383 -5.638 137 HB3 ASN 19 1HB ASN 19 2.660 9.143 -4.062 138 HD21 ASN 19 1HD2 ASN 19 3.939 9.106 -2.292 139 HD22 ASN 19 2HD2 ASN 19 5.629 9.440 -2.298 140 H TYR 20 H TYR 20 1.440 5.682 -4.557 141 HA TYR 20 HA TYR 20 2.780 4.545 -2.230 142 HB2 TYR 20 2HB TYR 20 -0.126 5.244 -2.522 143 HB3 TYR 20 1HB TYR 20 0.507 4.181 -1.297 144 HD1 TYR 20 1HD TYR 20 1.874 5.035 0.537 145 HD2 TYR 20 2HD TYR 20 0.225 7.679 -2.354 146 HE1 TYR 20 1HE TYR 20 2.353 6.921 2.008 147 HE2 TYR 20 2HE TYR 20 0.698 9.578 -0.899 148 HH TYR 20 HH TYR 20 1.009 9.899 1.681 149 H THR 21 H THR 21 1.985 2.408 -1.743 150 HA THR 21 HA THR 21 0.395 0.928 -3.494 151 HB THR 21 HB THR 21 2.278 1.077 -4.943 152 HG1 THR 21 1HG THR 21 1.014 -0.967 -4.549 153 HG21 THR 21 1HG2 THR 21 4.139 1.368 -3.404 154 HG22 THR 21 2HG2 THR 21 4.467 -0.039 -4.421 155 HG23 THR 21 3HG2 THR 21 3.900 -0.258 -2.766 156 H CYS 22 H CYS 22 0.001 -1.079 -2.678 157 HA CYS 22 HA CYS 22 0.717 -1.077 0.075 158 HB2 CYS 22 2HB CYS 22 -1.011 -2.865 0.229 159 HB3 CYS 22 1HB CYS 22 -1.551 -1.199 -0.037 160 H SER 23 H SER 23 1.659 -2.431 1.195 161 HA SER 23 HA SER 23 3.575 -4.157 -0.088 162 HB2 SER 23 2HB SER 23 4.317 -2.652 1.643 163 HB3 SER 23 1HB SER 23 3.066 -3.223 2.733 164 HG SER 23 HG SER 23 5.501 -4.043 2.609 165 H ARG 24 H ARG 24 3.944 -6.350 0.786 166 HA ARG 24 HA ARG 24 1.459 -7.689 1.639 167 HB2 ARG 24 2HB ARG 24 2.657 -8.523 -0.419 168 HB3 ARG 24 1HB ARG 24 4.007 -8.881 0.655 169 HG2 ARG 24 2HG ARG 24 2.806 -10.941 0.215 170 HG3 ARG 24 1HG ARG 24 2.575 -10.476 1.896 171 HD2 ARG 24 2HD ARG 24 0.353 -9.521 1.279 172 HD3 ARG 24 1HD ARG 24 0.593 -10.109 -0.368 173 HE ARG 24 HE ARG 24 0.806 -12.062 1.760 174 HH11 ARG 24 1HH1 ARG 24 -1.507 -10.641 -0.629 175 HH12 ARG 24 2HH1 ARG 24 -2.455 -12.025 -0.648 176 HH21 ARG 24 1HH2 ARG 24 -0.635 -13.908 1.671 177 HH22 ARG 24 2HH2 ARG 24 -2.010 -13.879 0.673 178 H ARG 25 H ARG 25 4.691 -6.769 2.487 179 HA ARG 25 HA ARG 25 5.104 -8.525 4.673 180 HB2 ARG 25 2HB ARG 25 6.887 -7.167 3.513 181 HB3 ARG 25 1HB ARG 25 6.184 -5.728 4.257 182 HG2 ARG 25 2HG ARG 25 6.502 -6.923 6.440 183 HG3 ARG 25 1HG ARG 25 7.526 -8.043 5.527 184 HD2 ARG 25 2HD ARG 25 9.042 -6.457 6.425 185 HD3 ARG 25 1HD ARG 25 8.796 -5.944 4.759 186 HE ARG 25 HE ARG 25 7.034 -4.386 5.819 187 HH11 ARG 25 1HH1 ARG 25 10.185 -5.185 7.294 188 HH12 ARG 25 2HH1 ARG 25 10.170 -3.824 8.319 189 HH21 ARG 25 1HH2 ARG 25 7.054 -2.579 7.282 190 HH22 ARG 25 2HH2 ARG 25 8.407 -2.317 8.308 191 H ASP 26 H ASP 26 4.101 -5.186 4.245 192 HA ASP 26 HA ASP 26 3.324 -4.926 7.002 193 HB2 ASP 26 2HB ASP 26 3.297 -2.953 4.713 194 HB3 ASP 26 1HB ASP 26 2.992 -2.606 6.394 195 H ARG 27 H ARG 27 1.890 -5.627 3.889 196 HA ARG 27 HA ARG 27 -0.034 -5.450 2.951 197 HB2 ARG 27 2HB ARG 27 -1.158 -6.312 5.603 198 HB3 ARG 27 1HB ARG 27 -1.828 -6.508 3.977 199 HG2 ARG 27 2HG ARG 27 0.328 -7.821 3.486 200 HG3 ARG 27 1HG ARG 27 0.451 -7.954 5.238 201 HD2 ARG 27 2HD ARG 27 -0.682 -9.899 4.566 202 HD3 ARG 27 1HD ARG 27 -1.942 -8.822 5.169 203 HE ARG 27 HE ARG 27 -1.529 -8.560 2.346 204 HH11 ARG 27 1HH1 ARG 27 -3.292 -10.435 4.789 205 HH12 ARG 27 2HH1 ARG 27 -4.418 -11.059 3.679 206 HH21 ARG 27 1HH2 ARG 27 -3.093 -9.494 0.806 207 HH22 ARG 27 2HH2 ARG 27 -4.310 -10.501 1.405 208 H TRP 28 H TRP 28 0.730 -2.947 4.490 209 HA TRP 28 HA TRP 28 -1.894 -1.760 4.134 210 HB2 TRP 28 2HB TRP 28 -1.135 0.148 5.544 211 HB3 TRP 28 1HB TRP 28 -1.109 -1.372 6.369 212 HD1 TRP 28 HD TRP 28 1.749 0.230 4.292 213 HE1 TRP 28 1HE TRP 28 3.782 0.454 5.925 214 HE3 TRP 28 3HE TRP 28 -0.476 -1.424 8.445 215 HZ2 TRP 28 2HZ TRP 28 4.291 -0.027 8.659 216 HZ3 TRP 28 3HZ TRP 28 0.743 -1.523 10.544 217 HH2 TRP 28 HH TRP 28 3.118 -0.830 10.668 218 H CYS 29 H CYS 29 -1.544 0.627 3.471 219 HA CYS 29 HA CYS 29 -0.301 0.481 0.860 220 HB2 CYS 29 2HB CYS 29 -2.561 1.549 1.398 221 HB3 CYS 29 1HB CYS 29 -1.649 2.835 2.181 222 H LYS 30 H LYS 30 1.813 0.732 0.813 223 HA LYS 30 HA LYS 30 3.039 2.327 2.879 224 HB2 LYS 30 2HB LYS 30 3.485 -0.152 2.504 225 HB3 LYS 30 1HB LYS 30 4.266 0.322 1.007 226 HG2 LYS 30 2HG LYS 30 5.908 1.550 2.176 227 HG3 LYS 30 1HG LYS 30 5.051 1.307 3.712 228 HD2 LYS 30 2HD LYS 30 5.344 -1.152 3.412 229 HD3 LYS 30 1HD LYS 30 6.334 -0.818 1.996 230 HE2 LYS 30 2HE LYS 30 7.956 0.336 3.368 231 HE3 LYS 30 1HE LYS 30 6.937 0.124 4.794 232 HZ1 LYS 30 1HZ LYS 30 7.154 -2.279 4.516 233 HZ2 LYS 30 2HZ LYS 30 8.672 -1.550 4.745 234 HZ3 LYS 30 3HZ LYS 30 8.198 -2.050 3.212 235 H TYR 31 H TYR 31 4.739 3.687 2.199 236 HA TYR 31 HA TYR 31 4.186 5.318 -0.027 237 HB2 TYR 31 2HB TYR 31 5.449 5.796 2.203 238 HB3 TYR 31 1HB TYR 31 6.822 5.106 1.345 239 HD1 TYR 31 1HD TYR 31 4.487 7.919 1.474 240 HD2 TYR 31 2HD TYR 31 8.014 6.365 -0.324 241 HE1 TYR 31 1HE TYR 31 4.990 10.119 0.593 242 HE2 TYR 31 2HE TYR 31 8.534 8.579 -1.220 243 HH TYR 31 HH TYR 31 6.992 11.375 -0.163 244 H TYR 32 H TYR 32 4.915 5.162 -2.085 245 HA TYR 32 HA TYR 32 6.319 2.815 -2.900 246 HB2 TYR 32 2HB TYR 32 4.526 3.706 -4.264 247 HB3 TYR 32 1HB TYR 32 5.345 5.250 -4.395 248 HD1 TYR 32 1HD TYR 32 6.894 5.637 -6.087 249 HD2 TYR 32 2HD TYR 32 5.502 1.712 -5.374 250 HE1 TYR 32 1HE TYR 32 7.926 4.913 -8.194 251 HE2 TYR 32 2HE TYR 32 6.523 0.946 -7.473 252 HH TYR 32 HH TYR 32 8.741 2.881 -9.223 253 H LEU 33 H LEU 33 8.375 2.647 -3.588 254 HA LEU 33 HA LEU 33 10.252 4.595 -2.646 255 HB2 LEU 33 2HB LEU 33 10.611 2.178 -2.429 256 HB3 LEU 33 1HB LEU 33 10.618 2.022 -4.170 257 HG LEU 33 HG LEU 33 12.669 3.449 -4.211 258 HD11 LEU 33 1HD1 LEU 33 13.947 3.708 -2.160 259 HD12 LEU 33 2HD1 LEU 33 12.627 2.993 -1.239 260 HD13 LEU 33 3HD1 LEU 33 12.394 4.538 -2.051 261 HD21 LEU 33 1HD2 LEU 33 14.154 1.630 -3.472 262 HD22 LEU 33 2HD2 LEU 33 12.794 1.047 -4.431 263 HD23 LEU 33 3HD2 LEU 33 12.779 0.863 -2.677 264 HN1 NH2 34 1H LEU 33 9.893 6.383 -3.959 265 HN2 NH2 34 2H LEU 33 10.362 6.449 -5.624 Start of MODEL 17 1 H1 ASP 1 1HT ASP 1 -12.661 5.340 -3.340 2 H2 ASP 1 2HT ASP 1 -12.195 5.219 -4.935 3 H3 ASP 1 3HT ASP 1 -13.132 6.545 -4.446 4 HA ASP 1 HA ASP 1 -10.795 7.105 -4.784 5 HB2 ASP 1 2HB ASP 1 -11.592 7.090 -1.852 6 HB3 ASP 1 1HB ASP 1 -10.293 8.053 -2.541 7 H CYS 2 H CYS 2 -8.593 6.916 -3.692 8 HA CYS 2 HA CYS 2 -7.984 4.117 -3.607 9 HB2 CYS 2 2HB CYS 2 -5.617 4.981 -3.424 10 HB3 CYS 2 1HB CYS 2 -6.482 5.424 -4.878 11 H LEU 3 H LEU 3 -5.875 3.888 -1.990 12 HA LEU 3 HA LEU 3 -7.038 4.050 0.688 13 HB2 LEU 3 2HB LEU 3 -5.124 2.132 -0.567 14 HB3 LEU 3 1HB LEU 3 -5.537 2.114 1.134 15 HG LEU 3 HG LEU 3 -7.436 1.550 -1.157 16 HD11 LEU 3 1HD1 LEU 3 -7.443 -0.723 -0.295 17 HD12 LEU 3 2HD1 LEU 3 -6.286 -0.264 0.953 18 HD13 LEU 3 3HD1 LEU 3 -5.808 -0.234 -0.745 19 HD21 LEU 3 1HD2 LEU 3 -8.587 2.627 0.706 20 HD22 LEU 3 2HD2 LEU 3 -7.884 1.461 1.825 21 HD23 LEU 3 3HD2 LEU 3 -9.028 0.924 0.595 22 H GLY 4 H GLY 4 -5.673 4.823 2.340 23 HA2 GLY 4 2HA GLY 4 -3.353 6.043 1.321 24 HA3 GLY 4 1HA GLY 4 -4.117 6.389 2.889 25 H TRP 5 H TRP 5 -1.971 6.108 3.682 26 HA TRP 5 HA TRP 5 -0.299 3.994 3.131 27 HB2 TRP 5 2HB TRP 5 0.384 6.214 4.129 28 HB3 TRP 5 1HB TRP 5 -0.172 5.581 5.671 29 HD1 TRP 5 HD TRP 5 1.140 2.734 5.658 30 HE1 TRP 5 1HE TRP 5 3.710 2.447 5.813 31 HE3 TRP 5 3HE TRP 5 2.561 7.345 4.016 32 HZ2 TRP 5 2HZ TRP 5 6.010 3.988 5.306 33 HZ3 TRP 5 3HZ TRP 5 4.957 7.862 3.883 34 HH2 TRP 5 HH TRP 5 6.642 6.216 4.514 35 H PHE 6 H PHE 6 -1.954 4.434 6.076 36 HA PHE 6 HA PHE 6 -1.234 1.684 6.784 37 HB2 PHE 6 2HB PHE 6 -2.433 3.918 8.368 38 HB3 PHE 6 1HB PHE 6 -2.135 2.308 9.064 39 HD1 PHE 6 1HD PHE 6 0.334 1.506 8.831 40 HD2 PHE 6 2HD PHE 6 -0.919 5.560 8.537 41 HE1 PHE 6 1HE PHE 6 2.595 2.245 9.390 42 HE2 PHE 6 2HE PHE 6 1.343 6.302 9.093 43 HZ PHE 6 HZ PHE 6 3.101 4.638 9.524 44 H LYS 7 H LYS 7 -3.277 2.246 4.799 45 HA LYS 7 HA LYS 7 -5.521 0.901 6.098 46 HB2 LYS 7 2HB LYS 7 -5.268 1.883 3.276 47 HB3 LYS 7 1HB LYS 7 -6.676 1.157 3.974 48 HG2 LYS 7 2HG LYS 7 -5.536 3.791 4.905 49 HG3 LYS 7 1HG LYS 7 -6.911 3.614 3.815 50 HD2 LYS 7 2HD LYS 7 -8.100 2.343 5.589 51 HD3 LYS 7 1HD LYS 7 -6.741 2.642 6.673 52 HE2 LYS 7 2HE LYS 7 -8.472 4.758 5.391 53 HE3 LYS 7 1HE LYS 7 -8.592 4.211 7.060 54 HZ1 LYS 7 1HZ LYS 7 -6.307 5.018 7.407 55 HZ2 LYS 7 2HZ LYS 7 -7.336 6.251 6.944 56 HZ3 LYS 7 3HZ LYS 7 -6.268 5.605 5.829 57 H SER 8 H SER 8 -6.089 -1.172 5.424 58 HA SER 8 HA SER 8 -3.925 -2.736 4.591 59 HB2 SER 8 2HB SER 8 -6.786 -3.453 4.962 60 HB3 SER 8 1HB SER 8 -5.368 -4.474 5.072 61 HG SER 8 HG SER 8 -4.888 -2.552 6.720 62 H CYS 9 H CYS 9 -3.718 -3.667 2.723 63 HA CYS 9 HA CYS 9 -5.660 -3.255 0.596 64 HB2 CYS 9 2HB CYS 9 -4.255 -1.414 0.406 65 HB3 CYS 9 1HB CYS 9 -2.806 -2.423 0.569 66 H ASP 10 H ASP 10 -4.713 -4.375 -1.356 67 HA ASP 10 HA ASP 10 -3.660 -6.986 -0.499 68 HB2 ASP 10 2HB ASP 10 -6.079 -7.148 -1.027 69 HB3 ASP 10 1HB ASP 10 -5.746 -6.510 -2.632 70 HA PRO 11 HA PRO 11 -0.535 -5.686 -3.352 71 HB2 PRO 11 2HB PRO 11 0.489 -8.220 -3.727 72 HB3 PRO 11 1HB PRO 11 1.048 -7.073 -2.486 73 HG2 PRO 11 2HG PRO 11 -0.760 -9.438 -2.275 74 HG3 PRO 11 1HG PRO 11 0.303 -8.727 -1.054 75 HD2 PRO 11 2HD PRO 11 -2.365 -8.461 -1.020 76 HD3 PRO 11 1HD PRO 11 -1.267 -7.221 -0.378 77 H LYS 12 H LYS 12 -2.733 -8.217 -4.086 78 HA LYS 12 HA LYS 12 -1.950 -8.173 -6.900 79 HB2 LYS 12 2HB LYS 12 -3.843 -9.990 -5.414 80 HB3 LYS 12 1HB LYS 12 -3.455 -10.133 -7.125 81 HG2 LYS 12 2HG LYS 12 -1.113 -10.545 -6.578 82 HG3 LYS 12 1HG LYS 12 -1.472 -10.374 -4.864 83 HD2 LYS 12 2HD LYS 12 -2.671 -12.462 -6.675 84 HD3 LYS 12 1HD LYS 12 -1.276 -12.731 -5.632 85 HE2 LYS 12 2HE LYS 12 -2.665 -12.223 -3.670 86 HE3 LYS 12 1HE LYS 12 -4.053 -11.959 -4.724 87 HZ1 LYS 12 1HZ LYS 12 -3.952 -14.246 -5.414 88 HZ2 LYS 12 2HZ LYS 12 -4.019 -14.193 -3.733 89 HZ3 LYS 12 3HZ LYS 12 -2.564 -14.509 -4.505 90 H ASN 13 H ASN 13 -4.018 -6.650 -4.865 91 HA ASN 13 HA ASN 13 -5.753 -5.776 -7.076 92 HB2 ASN 13 2HB ASN 13 -6.826 -7.537 -5.499 93 HB3 ASN 13 1HB ASN 13 -6.803 -6.277 -4.284 94 HD21 ASN 13 1HD2 ASN 13 -9.122 -7.561 -5.343 95 HD22 ASN 13 2HD2 ASN 13 -10.107 -6.349 -6.071 96 H ASP 14 H ASP 14 -3.573 -4.540 -6.365 97 HA ASP 14 HA ASP 14 -3.494 -2.852 -4.151 98 HB2 ASP 14 2HB ASP 14 -1.577 -3.277 -5.634 99 HB3 ASP 14 1HB ASP 14 -2.336 -2.261 -6.863 100 H LYS 15 H LYS 15 -4.388 -1.087 -3.613 101 HA LYS 15 HA LYS 15 -6.046 0.417 -5.504 102 HB2 LYS 15 2HB LYS 15 -6.629 -0.456 -2.693 103 HB3 LYS 15 1HB LYS 15 -7.581 0.721 -3.580 104 HG2 LYS 15 2HG LYS 15 -8.117 -0.950 -5.245 105 HG3 LYS 15 1HG LYS 15 -7.095 -2.128 -4.426 106 HD2 LYS 15 2HD LYS 15 -8.602 -1.942 -2.456 107 HD3 LYS 15 1HD LYS 15 -9.649 -0.885 -3.412 108 HE2 LYS 15 2HE LYS 15 -8.902 -3.734 -4.072 109 HE3 LYS 15 1HE LYS 15 -10.464 -3.187 -3.476 110 HZ1 LYS 15 1HZ LYS 15 -10.772 -1.930 -5.521 111 HZ2 LYS 15 2HZ LYS 15 -10.428 -3.535 -5.902 112 HZ3 LYS 15 3HZ LYS 15 -9.241 -2.377 -6.062 113 H CYS 16 H CYS 16 -3.318 0.828 -4.497 114 HA CYS 16 HA CYS 16 -3.424 2.828 -2.490 115 HB2 CYS 16 2HB CYS 16 -1.305 1.660 -4.187 116 HB3 CYS 16 1HB CYS 16 -1.009 3.149 -3.288 117 H CYS 17 H CYS 17 -2.851 5.014 -2.618 118 HA CYS 17 HA CYS 17 -3.722 6.391 -4.857 119 HB2 CYS 17 2HB CYS 17 -2.199 7.212 -2.386 120 HB3 CYS 17 1HB CYS 17 -2.962 8.306 -3.524 121 H LYS 18 H LYS 18 -2.135 8.223 -5.463 122 HA LYS 18 HA LYS 18 -0.024 7.188 -7.020 123 HB2 LYS 18 2HB LYS 18 -1.337 9.248 -7.500 124 HB3 LYS 18 1HB LYS 18 -0.511 10.031 -6.161 125 HG2 LYS 18 2HG LYS 18 1.605 9.642 -7.251 126 HG3 LYS 18 1HG LYS 18 0.745 8.899 -8.609 127 HD2 LYS 18 2HD LYS 18 -0.426 10.984 -9.024 128 HD3 LYS 18 1HD LYS 18 0.402 11.741 -7.657 129 HE2 LYS 18 2HE LYS 18 2.566 11.318 -8.801 130 HE3 LYS 18 1HE LYS 18 1.674 10.698 -10.187 131 HZ1 LYS 18 1HZ LYS 18 0.661 12.877 -10.465 132 HZ2 LYS 18 2HZ LYS 18 2.347 12.995 -10.476 133 HZ3 LYS 18 3HZ LYS 18 1.484 13.448 -9.103 134 H ASN 19 H ASN 19 2.027 6.875 -6.646 135 HA ASN 19 HA ASN 19 4.075 6.861 -5.752 136 HB2 ASN 19 2HB ASN 19 2.971 9.188 -4.339 137 HB3 ASN 19 1HB ASN 19 4.432 8.475 -3.633 138 HD21 ASN 19 1HD2 ASN 19 6.333 8.568 -4.817 139 HD22 ASN 19 2HD2 ASN 19 6.547 9.602 -6.171 140 H TYR 20 H TYR 20 1.612 5.482 -4.617 141 HA TYR 20 HA TYR 20 3.037 4.313 -2.365 142 HB2 TYR 20 2HB TYR 20 0.100 4.852 -2.672 143 HB3 TYR 20 1HB TYR 20 0.762 3.761 -1.492 144 HD1 TYR 20 1HD TYR 20 0.662 7.345 -2.487 145 HD2 TYR 20 2HD TYR 20 1.587 4.547 0.582 146 HE1 TYR 20 1HE TYR 20 0.865 9.179 -0.890 147 HE2 TYR 20 2HE TYR 20 1.804 6.366 2.189 148 HH TYR 20 HH TYR 20 0.758 9.558 1.475 149 H THR 21 H THR 21 2.335 2.087 -2.012 150 HA THR 21 HA THR 21 1.022 0.574 -4.058 151 HB THR 21 HB THR 21 3.882 -0.014 -3.474 152 HG1 THR 21 1HG THR 21 2.887 1.832 -5.212 153 HG21 THR 21 1HG2 THR 21 2.648 -1.921 -4.214 154 HG22 THR 21 2HG2 THR 21 3.753 -1.459 -5.511 155 HG23 THR 21 3HG2 THR 21 2.042 -1.048 -5.623 156 H CYS 22 H CYS 22 0.282 -1.281 -2.971 157 HA CYS 22 HA CYS 22 0.941 -1.174 -0.227 158 HB2 CYS 22 2HB CYS 22 -0.851 -2.816 0.059 159 HB3 CYS 22 1HB CYS 22 -1.358 -1.211 -0.474 160 H SER 23 H SER 23 1.647 -2.566 1.065 161 HA SER 23 HA SER 23 3.563 -4.410 -0.041 162 HB2 SER 23 2HB SER 23 4.227 -2.748 1.611 163 HB3 SER 23 1HB SER 23 2.969 -3.299 2.705 164 HG SER 23 HG SER 23 5.084 -4.022 3.224 165 H ARG 24 H ARG 24 3.558 -6.621 0.653 166 HA ARG 24 HA ARG 24 0.985 -7.653 1.606 167 HB2 ARG 24 2HB ARG 24 2.457 -8.653 -0.325 168 HB3 ARG 24 1HB ARG 24 3.430 -9.292 0.990 169 HG2 ARG 24 2HG ARG 24 0.522 -9.977 0.394 170 HG3 ARG 24 1HG ARG 24 1.917 -11.020 0.163 171 HD2 ARG 24 2HD ARG 24 0.814 -10.013 2.787 172 HD3 ARG 24 1HD ARG 24 0.627 -11.642 2.144 173 HE ARG 24 HE ARG 24 3.361 -11.014 2.327 174 HH11 ARG 24 1HH1 ARG 24 0.618 -11.865 4.393 175 HH12 ARG 24 2HH1 ARG 24 1.557 -12.328 5.718 176 HH21 ARG 24 1HH2 ARG 24 4.674 -11.650 4.118 177 HH22 ARG 24 2HH2 ARG 24 3.976 -12.211 5.543 178 H ARG 25 H ARG 25 4.436 -7.495 2.300 179 HA ARG 25 HA ARG 25 4.675 -8.885 4.647 180 HB2 ARG 25 2HB ARG 25 6.470 -7.817 3.238 181 HB3 ARG 25 1HB ARG 25 6.023 -6.288 3.936 182 HG2 ARG 25 2HG ARG 25 6.554 -8.271 5.968 183 HG3 ARG 25 1HG ARG 25 7.920 -8.002 4.880 184 HD2 ARG 25 2HD ARG 25 6.437 -5.784 6.310 185 HD3 ARG 25 1HD ARG 25 7.922 -6.519 6.919 186 HE ARG 25 HE ARG 25 8.296 -5.679 4.267 187 HH11 ARG 25 1HH1 ARG 25 7.924 -4.227 7.495 188 HH12 ARG 25 2HH1 ARG 25 8.895 -2.886 7.166 189 HH21 ARG 25 1HH2 ARG 25 9.624 -3.806 3.802 190 HH22 ARG 25 2HH2 ARG 25 9.902 -2.637 4.998 191 H ASP 26 H ASP 26 3.898 -5.509 4.139 192 HA ASP 26 HA ASP 26 3.244 -5.125 6.933 193 HB2 ASP 26 2HB ASP 26 3.117 -3.178 4.640 194 HB3 ASP 26 1HB ASP 26 2.979 -2.834 6.340 195 H ARG 27 H ARG 27 1.643 -5.774 3.886 196 HA ARG 27 HA ARG 27 -0.266 -5.599 3.040 197 HB2 ARG 27 2HB ARG 27 -0.859 -6.532 5.758 198 HB3 ARG 27 1HB ARG 27 -2.176 -6.036 4.674 199 HG2 ARG 27 2HG ARG 27 -1.454 -7.642 3.043 200 HG3 ARG 27 1HG ARG 27 -0.075 -8.079 4.059 201 HD2 ARG 27 2HD ARG 27 -1.555 -8.836 5.786 202 HD3 ARG 27 1HD ARG 27 -2.961 -8.358 4.834 203 HE ARG 27 HE ARG 27 -1.789 -10.031 3.169 204 HH11 ARG 27 1HH1 ARG 27 -2.362 -10.320 6.645 205 HH12 ARG 27 2HH1 ARG 27 -2.566 -12.006 6.623 206 HH21 ARG 27 1HH2 ARG 27 -2.095 -12.373 3.138 207 HH22 ARG 27 2HH2 ARG 27 -2.428 -13.191 4.596 208 H TRP 28 H TRP 28 0.703 -3.053 4.379 209 HA TRP 28 HA TRP 28 -1.822 -1.697 3.917 210 HB2 TRP 28 2HB TRP 28 -0.959 0.208 5.254 211 HB3 TRP 28 1HB TRP 28 -1.115 -1.270 6.143 212 HD1 TRP 28 HD TRP 28 1.977 -0.038 4.155 213 HE1 TRP 28 1HE TRP 28 3.932 0.083 5.882 214 HE3 TRP 28 3HE TRP 28 -0.614 -1.258 8.226 215 HZ2 TRP 28 2HZ TRP 28 4.248 -0.316 8.687 216 HZ3 TRP 28 3HZ TRP 28 0.471 -1.379 10.410 217 HH2 TRP 28 HH TRP 28 2.894 -0.909 10.648 218 H CYS 29 H CYS 29 -1.343 0.593 3.162 219 HA CYS 29 HA CYS 29 -0.091 0.286 0.575 220 HB2 CYS 29 2HB CYS 29 -2.318 1.350 0.990 221 HB3 CYS 29 1HB CYS 29 -1.479 2.634 1.846 222 H LYS 30 H LYS 30 2.052 0.356 0.661 223 HA LYS 30 HA LYS 30 3.376 1.955 2.655 224 HB2 LYS 30 2HB LYS 30 3.822 -0.506 1.959 225 HB3 LYS 30 1HB LYS 30 4.597 0.192 0.551 226 HG2 LYS 30 2HG LYS 30 6.127 1.401 2.029 227 HG3 LYS 30 1HG LYS 30 5.350 0.618 3.415 228 HD2 LYS 30 2HD LYS 30 5.917 -1.600 2.348 229 HD3 LYS 30 1HD LYS 30 6.905 -0.712 1.190 230 HE2 LYS 30 2HE LYS 30 8.328 -1.545 2.933 231 HE3 LYS 30 1HE LYS 30 8.203 0.204 3.116 232 HZ1 LYS 30 1HZ LYS 30 6.547 -0.144 4.856 233 HZ2 LYS 30 2HZ LYS 30 7.979 -0.904 5.250 234 HZ3 LYS 30 3HZ LYS 30 6.673 -1.818 4.678 235 H TYR 31 H TYR 31 4.697 3.677 2.047 236 HA TYR 31 HA TYR 31 4.114 4.991 -0.390 237 HB2 TYR 31 2HB TYR 31 4.889 6.086 1.775 238 HB3 TYR 31 1HB TYR 31 6.489 5.447 1.375 239 HD1 TYR 31 1HD TYR 31 3.805 7.587 -0.090 240 HD2 TYR 31 2HD TYR 31 7.964 6.766 0.195 241 HE1 TYR 31 1HE TYR 31 4.285 9.593 -1.419 242 HE2 TYR 31 2HE TYR 31 8.457 8.756 -1.134 243 HH TYR 31 HH TYR 31 7.352 10.185 -2.761 244 H TYR 32 H TYR 32 5.167 4.934 -2.285 245 HA TYR 32 HA TYR 32 7.154 2.860 -2.590 246 HB2 TYR 32 2HB TYR 32 5.322 2.805 -4.159 247 HB3 TYR 32 1HB TYR 32 5.575 4.498 -4.556 248 HD1 TYR 32 1HD TYR 32 6.888 5.083 -6.333 249 HD2 TYR 32 2HD TYR 32 7.234 1.189 -4.726 250 HE1 TYR 32 1HE TYR 32 8.375 4.478 -8.198 251 HE2 TYR 32 2HE TYR 32 8.735 0.537 -6.586 252 HH TYR 32 HH TYR 32 10.137 2.849 -8.615 253 H LEU 33 H LEU 33 9.183 3.254 -2.770 254 HA LEU 33 HA LEU 33 10.103 6.021 -3.057 255 HB2 LEU 33 2HB LEU 33 11.545 3.577 -2.014 256 HB3 LEU 33 1HB LEU 33 12.260 5.165 -2.169 257 HG LEU 33 HG LEU 33 9.967 4.462 -0.328 258 HD11 LEU 33 1HD1 LEU 33 12.074 3.445 0.358 259 HD12 LEU 33 2HD1 LEU 33 11.603 4.742 1.457 260 HD13 LEU 33 3HD1 LEU 33 12.871 5.016 0.262 261 HD21 LEU 33 1HD2 LEU 33 10.361 6.689 0.621 262 HD22 LEU 33 2HD2 LEU 33 9.880 6.788 -1.071 263 HD23 LEU 33 3HD2 LEU 33 11.572 7.005 -0.621 264 HN1 NH2 34 1H LEU 33 9.931 6.111 -5.273 265 HN2 NH2 34 2H LEU 33 10.963 5.216 -6.332 Start of MODEL 18 1 H1 ASP 1 1HT ASP 1 -11.821 6.680 -6.178 2 H2 ASP 1 2HT ASP 1 -11.343 5.069 -5.896 3 H3 ASP 1 3HT ASP 1 -10.246 6.163 -6.553 4 HA ASP 1 HA ASP 1 -10.214 7.419 -4.557 5 HB2 ASP 1 2HB ASP 1 -11.321 6.614 -2.554 6 HB3 ASP 1 1HB ASP 1 -12.533 6.832 -3.806 7 H CYS 2 H CYS 2 -8.948 6.633 -2.666 8 HA CYS 2 HA CYS 2 -7.596 4.100 -3.233 9 HB2 CYS 2 2HB CYS 2 -5.432 5.211 -3.086 10 HB3 CYS 2 1HB CYS 2 -6.358 5.833 -4.427 11 H LEU 3 H LEU 3 -5.568 4.448 -1.505 12 HA LEU 3 HA LEU 3 -6.856 4.559 1.119 13 HB2 LEU 3 2HB LEU 3 -4.527 2.960 0.108 14 HB3 LEU 3 1HB LEU 3 -5.140 2.909 1.755 15 HG LEU 3 HG LEU 3 -6.559 1.932 -0.731 16 HD11 LEU 3 1HD1 LEU 3 -4.752 0.485 -0.042 17 HD12 LEU 3 2HD1 LEU 3 -6.312 -0.273 0.275 18 HD13 LEU 3 3HD1 LEU 3 -5.390 0.434 1.600 19 HD21 LEU 3 1HD2 LEU 3 -8.161 2.846 0.871 20 HD22 LEU 3 2HD2 LEU 3 -7.462 1.856 2.152 21 HD23 LEU 3 3HD2 LEU 3 -8.284 1.090 0.792 22 H GLY 4 H GLY 4 -5.290 5.263 2.787 23 HA2 GLY 4 2HA GLY 4 -3.610 7.280 1.635 24 HA3 GLY 4 1HA GLY 4 -4.072 7.211 3.343 25 H TRP 5 H TRP 5 -3.005 5.337 4.621 26 HA TRP 5 HA TRP 5 -0.665 4.298 3.412 27 HB2 TRP 5 2HB TRP 5 -0.382 6.494 4.635 28 HB3 TRP 5 1HB TRP 5 -0.670 5.555 6.073 29 HD1 TRP 5 HD TRP 5 0.947 3.122 5.950 30 HE1 TRP 5 1HE TRP 5 3.545 3.056 5.769 31 HE3 TRP 5 3HE TRP 5 1.684 7.687 3.905 32 HZ2 TRP 5 2HZ TRP 5 5.596 4.755 4.845 33 HZ3 TRP 5 3HZ TRP 5 3.978 8.412 3.387 34 HH2 TRP 5 HH TRP 5 5.882 6.973 3.848 35 H PHE 6 H PHE 6 -1.868 4.340 6.611 36 HA PHE 6 HA PHE 6 -1.138 1.549 6.840 37 HB2 PHE 6 2HB PHE 6 -2.390 3.388 8.901 38 HB3 PHE 6 1HB PHE 6 -1.698 1.797 9.213 39 HD1 PHE 6 1HD PHE 6 0.738 1.462 8.922 40 HD2 PHE 6 2HD PHE 6 -1.091 5.294 8.777 41 HE1 PHE 6 1HE PHE 6 2.912 2.513 9.333 42 HE2 PHE 6 2HE PHE 6 1.085 6.352 9.183 43 HZ PHE 6 HZ PHE 6 3.083 4.956 9.464 44 H LYS 7 H LYS 7 -3.263 1.967 5.053 45 HA LYS 7 HA LYS 7 -5.468 0.577 6.405 46 HB2 LYS 7 2HB LYS 7 -5.325 1.435 3.541 47 HB3 LYS 7 1HB LYS 7 -6.727 0.905 4.412 48 HG2 LYS 7 2HG LYS 7 -5.276 3.507 4.858 49 HG3 LYS 7 1HG LYS 7 -6.850 3.313 4.094 50 HD2 LYS 7 2HD LYS 7 -6.184 2.661 6.974 51 HD3 LYS 7 1HD LYS 7 -7.053 4.088 6.421 52 HE2 LYS 7 2HE LYS 7 -8.859 2.676 5.587 53 HE3 LYS 7 1HE LYS 7 -7.968 1.234 6.073 54 HZ1 LYS 7 1HZ LYS 7 -9.615 1.788 7.722 55 HZ2 LYS 7 2HZ LYS 7 -8.973 3.339 7.907 56 HZ3 LYS 7 3HZ LYS 7 -8.074 2.006 8.356 57 H SER 8 H SER 8 -5.915 -1.556 5.810 58 HA SER 8 HA SER 8 -3.744 -3.036 4.904 59 HB2 SER 8 2HB SER 8 -6.580 -3.865 5.303 60 HB3 SER 8 1HB SER 8 -5.115 -4.815 5.440 61 HG SER 8 HG SER 8 -4.813 -4.178 7.400 62 H CYS 9 H CYS 9 -3.564 -4.016 3.027 63 HA CYS 9 HA CYS 9 -5.628 -3.900 0.992 64 HB2 CYS 9 2HB CYS 9 -4.616 -1.826 0.714 65 HB3 CYS 9 1HB CYS 9 -2.997 -2.545 0.792 66 H ASP 10 H ASP 10 -4.692 -4.850 -0.986 67 HA ASP 10 HA ASP 10 -2.940 -7.101 -0.312 68 HB2 ASP 10 2HB ASP 10 -5.265 -7.911 -0.548 69 HB3 ASP 10 1HB ASP 10 -5.338 -7.221 -2.160 70 HA PRO 11 HA PRO 11 -0.469 -4.945 -3.333 71 HB2 PRO 11 2HB PRO 11 1.005 -7.264 -3.909 72 HB3 PRO 11 1HB PRO 11 1.447 -5.977 -2.771 73 HG2 PRO 11 2HG PRO 11 0.124 -8.598 -2.281 74 HG3 PRO 11 1HG PRO 11 1.241 -7.701 -1.229 75 HD2 PRO 11 2HD PRO 11 -1.291 -7.877 -0.721 76 HD3 PRO 11 1HD PRO 11 -0.439 -6.338 -0.452 77 H LYS 12 H LYS 12 -2.117 -7.918 -4.083 78 HA LYS 12 HA LYS 12 -1.563 -7.677 -6.927 79 HB2 LYS 12 2HB LYS 12 -3.374 -9.572 -5.449 80 HB3 LYS 12 1HB LYS 12 -2.970 -9.678 -7.152 81 HG2 LYS 12 2HG LYS 12 -0.643 -10.118 -6.586 82 HG3 LYS 12 1HG LYS 12 -1.023 -9.956 -4.869 83 HD2 LYS 12 2HD LYS 12 -2.577 -11.832 -5.036 84 HD3 LYS 12 1HD LYS 12 -2.213 -11.972 -6.754 85 HE2 LYS 12 2HE LYS 12 0.090 -12.518 -6.247 86 HE3 LYS 12 1HE LYS 12 -0.219 -12.308 -4.524 87 HZ1 LYS 12 1HZ LYS 12 -0.259 -14.636 -5.212 88 HZ2 LYS 12 2HZ LYS 12 -1.565 -14.340 -6.231 89 HZ3 LYS 12 3HZ LYS 12 -1.733 -14.162 -4.576 90 H ASN 13 H ASN 13 -3.725 -6.539 -4.702 91 HA ASN 13 HA ASN 13 -5.722 -5.751 -6.717 92 HB2 ASN 13 2HB ASN 13 -6.489 -7.622 -5.198 93 HB3 ASN 13 1HB ASN 13 -6.198 -6.567 -3.836 94 HD21 ASN 13 1HD2 ASN 13 -7.678 -5.654 -6.906 95 HD22 ASN 13 2HD2 ASN 13 -9.189 -5.186 -6.243 96 H ASP 14 H ASP 14 -3.578 -4.321 -6.184 97 HA ASP 14 HA ASP 14 -3.501 -2.669 -3.927 98 HB2 ASP 14 2HB ASP 14 -1.624 -2.883 -5.435 99 HB3 ASP 14 1HB ASP 14 -2.526 -2.018 -6.693 100 H LYS 15 H LYS 15 -4.589 -1.090 -3.296 101 HA LYS 15 HA LYS 15 -6.413 0.348 -5.111 102 HB2 LYS 15 2HB LYS 15 -6.689 -0.291 -2.191 103 HB3 LYS 15 1HB LYS 15 -7.793 0.699 -3.129 104 HG2 LYS 15 2HG LYS 15 -8.246 -1.288 -4.574 105 HG3 LYS 15 1HG LYS 15 -7.224 -2.244 -3.507 106 HD2 LYS 15 2HD LYS 15 -9.793 -0.841 -2.766 107 HD3 LYS 15 1HD LYS 15 -9.580 -2.575 -2.975 108 HE2 LYS 15 2HE LYS 15 -7.967 -2.555 -1.072 109 HE3 LYS 15 1HE LYS 15 -8.308 -0.843 -0.855 110 HZ1 LYS 15 1HZ LYS 15 -10.634 -1.402 -0.398 111 HZ2 LYS 15 2HZ LYS 15 -9.605 -2.164 0.666 112 HZ3 LYS 15 3HZ LYS 15 -10.293 -3.043 -0.585 113 H CYS 16 H CYS 16 -3.635 0.988 -4.463 114 HA CYS 16 HA CYS 16 -3.789 3.150 -2.562 115 HB2 CYS 16 2HB CYS 16 -1.544 1.804 -3.990 116 HB3 CYS 16 1HB CYS 16 -1.315 3.302 -3.090 117 H CYS 17 H CYS 17 -2.959 5.252 -2.986 118 HA CYS 17 HA CYS 17 -3.732 6.243 -5.538 119 HB2 CYS 17 2HB CYS 17 -3.126 7.374 -2.901 120 HB3 CYS 17 1HB CYS 17 -2.533 8.335 -4.237 121 H LYS 18 H LYS 18 -2.054 8.161 -6.000 122 HA LYS 18 HA LYS 18 -0.086 6.893 -7.542 123 HB2 LYS 18 2HB LYS 18 -1.184 9.029 -8.032 124 HB3 LYS 18 1HB LYS 18 -0.196 9.763 -6.771 125 HG2 LYS 18 2HG LYS 18 1.797 8.929 -7.896 126 HG3 LYS 18 1HG LYS 18 0.761 8.358 -9.210 127 HD2 LYS 18 2HD LYS 18 0.995 11.165 -8.249 128 HD3 LYS 18 1HD LYS 18 1.807 10.501 -9.681 129 HE2 LYS 18 2HE LYS 18 -0.380 10.033 -10.686 130 HE3 LYS 18 1HE LYS 18 -1.177 10.687 -9.256 131 HZ1 LYS 18 1HZ LYS 18 -1.061 12.290 -11.058 132 HZ2 LYS 18 2HZ LYS 18 0.627 12.198 -11.033 133 HZ3 LYS 18 3HZ LYS 18 -0.205 12.811 -9.705 134 H ASN 19 H ASN 19 1.759 6.148 -7.045 135 HA ASN 19 HA ASN 19 3.862 5.968 -6.388 136 HB2 ASN 19 2HB ASN 19 3.722 8.557 -6.461 137 HB3 ASN 19 1HB ASN 19 3.731 8.456 -4.707 138 HD21 ASN 19 1HD2 ASN 19 5.568 7.703 -3.690 139 HD22 ASN 19 2HD2 ASN 19 7.105 7.582 -4.445 140 H TYR 20 H TYR 20 1.413 5.347 -4.799 141 HA TYR 20 HA TYR 20 2.859 4.330 -2.477 142 HB2 TYR 20 2HB TYR 20 -0.084 4.928 -2.783 143 HB3 TYR 20 1HB TYR 20 0.616 4.075 -1.437 144 HD1 TYR 20 1HD TYR 20 1.699 5.237 0.363 145 HD2 TYR 20 2HD TYR 20 0.401 7.389 -3.067 146 HE1 TYR 20 1HE TYR 20 2.082 7.338 1.545 147 HE2 TYR 20 2HE TYR 20 0.779 9.499 -1.899 148 HH TYR 20 HH TYR 20 2.567 9.742 0.912 149 H THR 21 H THR 21 2.131 2.177 -1.917 150 HA THR 21 HA THR 21 0.693 0.597 -3.838 151 HB THR 21 HB THR 21 3.534 -0.077 -3.294 152 HG1 THR 21 1HG THR 21 2.555 1.735 -5.052 153 HG21 THR 21 1HG2 THR 21 1.598 -1.105 -5.361 154 HG22 THR 21 2HG2 THR 21 2.133 -1.944 -3.905 155 HG23 THR 21 3HG2 THR 21 3.275 -1.632 -5.213 156 H CYS 22 H CYS 22 -0.112 -1.102 -2.708 157 HA CYS 22 HA CYS 22 0.616 -1.122 -0.002 158 HB2 CYS 22 2HB CYS 22 -1.109 -2.876 0.209 159 HB3 CYS 22 1HB CYS 22 -1.691 -1.270 -0.241 160 H SER 23 H SER 23 1.640 -2.377 1.105 161 HA SER 23 HA SER 23 3.611 -4.024 -0.164 162 HB2 SER 23 2HB SER 23 4.267 -2.410 1.543 163 HB3 SER 23 1HB SER 23 3.095 -3.064 2.650 164 HG SER 23 HG SER 23 5.323 -3.712 2.975 165 H ARG 24 H ARG 24 4.134 -6.184 0.799 166 HA ARG 24 HA ARG 24 1.694 -7.599 1.617 167 HB2 ARG 24 2HB ARG 24 2.867 -8.368 -0.443 168 HB3 ARG 24 1HB ARG 24 4.233 -8.778 0.592 169 HG2 ARG 24 2HG ARG 24 2.905 -10.797 0.065 170 HG3 ARG 24 1HG ARG 24 2.862 -10.431 1.792 171 HD2 ARG 24 2HD ARG 24 0.678 -9.375 1.529 172 HD3 ARG 24 1HD ARG 24 0.725 -9.667 -0.202 173 HE ARG 24 HE ARG 24 0.911 -12.020 1.476 174 HH11 ARG 24 1HH1 ARG 24 -1.135 -9.954 -0.494 175 HH12 ARG 24 2HH1 ARG 24 -2.509 -10.920 -0.495 176 HH21 ARG 24 1HH2 ARG 24 -0.922 -13.480 1.500 177 HH22 ARG 24 2HH2 ARG 24 -2.352 -13.090 0.652 178 H ARG 25 H ARG 25 4.970 -6.798 2.466 179 HA ARG 25 HA ARG 25 5.225 -8.556 4.685 180 HB2 ARG 25 2HB ARG 25 6.982 -7.143 3.295 181 HB3 ARG 25 1HB ARG 25 6.564 -5.873 4.422 182 HG2 ARG 25 2HG ARG 25 7.806 -8.538 5.066 183 HG3 ARG 25 1HG ARG 25 8.600 -6.971 5.068 184 HD2 ARG 25 2HD ARG 25 6.430 -7.914 6.957 185 HD3 ARG 25 1HD ARG 25 8.132 -7.695 7.352 186 HE ARG 25 HE ARG 25 7.275 -5.260 6.456 187 HH11 ARG 25 1HH1 ARG 25 6.404 -7.434 9.111 188 HH12 ARG 25 2HH1 ARG 25 5.742 -6.192 10.084 189 HH21 ARG 25 1HH2 ARG 25 6.294 -3.559 7.819 190 HH22 ARG 25 2HH2 ARG 25 5.686 -4.013 9.356 191 H ASP 26 H ASP 26 4.381 -5.141 4.182 192 HA ASP 26 HA ASP 26 3.672 -4.740 6.948 193 HB2 ASP 26 2HB ASP 26 3.376 -2.855 4.612 194 HB3 ASP 26 1HB ASP 26 3.389 -2.476 6.317 195 H ARG 27 H ARG 27 2.201 -5.517 3.865 196 HA ARG 27 HA ARG 27 0.286 -5.472 2.987 197 HB2 ARG 27 2HB ARG 27 -0.612 -6.300 5.720 198 HB3 ARG 27 1HB ARG 27 -1.555 -6.328 4.223 199 HG2 ARG 27 2HG ARG 27 0.523 -7.654 3.339 200 HG3 ARG 27 1HG ARG 27 0.686 -8.066 5.044 201 HD2 ARG 27 2HD ARG 27 -0.646 -9.710 3.856 202 HD3 ARG 27 1HD ARG 27 -1.629 -8.860 5.058 203 HE ARG 27 HE ARG 27 -1.845 -7.474 2.663 204 HH11 ARG 27 1HH1 ARG 27 -2.691 -10.747 3.725 205 HH12 ARG 27 2HH1 ARG 27 -4.150 -10.787 2.851 206 HH21 ARG 27 1HH2 ARG 27 -3.883 -7.520 1.545 207 HH22 ARG 27 2HH2 ARG 27 -4.831 -8.931 1.588 208 H TRP 28 H TRP 28 0.953 -2.858 4.467 209 HA TRP 28 HA TRP 28 -1.722 -1.825 4.033 210 HB2 TRP 28 2HB TRP 28 -1.040 0.189 5.381 211 HB3 TRP 28 1HB TRP 28 -0.988 -1.315 6.233 212 HD1 TRP 28 HD TRP 28 1.813 0.390 4.169 213 HE1 TRP 28 1HE TRP 28 3.863 0.590 5.784 214 HE3 TRP 28 3HE TRP 28 -0.342 -1.468 8.267 215 HZ2 TRP 28 2HZ TRP 28 4.407 -0.002 8.503 216 HZ3 TRP 28 3HZ TRP 28 0.885 -1.637 10.336 217 HH2 TRP 28 HH TRP 28 3.257 -0.915 10.483 218 H CYS 29 H CYS 29 -1.551 0.555 3.304 219 HA CYS 29 HA CYS 29 -0.373 0.485 0.661 220 HB2 CYS 29 2HB CYS 29 -2.660 1.423 1.248 221 HB3 CYS 29 1HB CYS 29 -1.827 2.724 2.085 222 H LYS 30 H LYS 30 1.811 0.625 0.802 223 HA LYS 30 HA LYS 30 2.874 2.585 2.631 224 HB2 LYS 30 2HB LYS 30 3.559 0.206 2.869 225 HB3 LYS 30 1HB LYS 30 4.203 0.261 1.235 226 HG2 LYS 30 2HG LYS 30 5.821 1.776 1.810 227 HG3 LYS 30 1HG LYS 30 5.111 2.076 3.421 228 HD2 LYS 30 2HD LYS 30 7.072 0.677 3.670 229 HD3 LYS 30 1HD LYS 30 5.643 -0.321 3.948 230 HE2 LYS 30 2HE LYS 30 5.794 -1.151 1.655 231 HE3 LYS 30 1HE LYS 30 7.198 -0.120 1.398 232 HZ1 LYS 30 1HZ LYS 30 7.041 -2.321 3.373 233 HZ2 LYS 30 2HZ LYS 30 8.402 -1.351 3.049 234 HZ3 LYS 30 3HZ LYS 30 7.808 -2.392 1.867 235 H TYR 31 H TYR 31 4.401 4.050 1.889 236 HA TYR 31 HA TYR 31 3.974 5.128 -0.683 237 HB2 TYR 31 2HB TYR 31 4.691 6.373 1.382 238 HB3 TYR 31 1HB TYR 31 6.269 5.614 1.192 239 HD1 TYR 31 1HD TYR 31 7.916 6.690 -0.064 240 HD2 TYR 31 2HD TYR 31 3.846 7.776 -0.605 241 HE1 TYR 31 1HE TYR 31 8.606 8.543 -1.510 242 HE2 TYR 31 2HE TYR 31 4.510 9.627 -2.040 243 HH TYR 31 HH TYR 31 6.468 11.015 -2.419 244 H TYR 32 H TYR 32 5.061 4.769 -2.565 245 HA TYR 32 HA TYR 32 7.066 2.682 -2.480 246 HB2 TYR 32 2HB TYR 32 5.186 2.569 -4.046 247 HB3 TYR 32 1HB TYR 32 5.794 4.018 -4.867 248 HD1 TYR 32 1HD TYR 32 7.301 3.740 -6.631 249 HD2 TYR 32 2HD TYR 32 6.745 0.592 -3.863 250 HE1 TYR 32 1HE TYR 32 8.710 2.302 -8.017 251 HE2 TYR 32 2HE TYR 32 8.155 -0.880 -5.234 252 HH TYR 32 HH TYR 32 10.111 0.242 -7.716 253 H LEU 33 H LEU 33 8.964 3.256 -2.230 254 HA LEU 33 HA LEU 33 9.802 6.006 -2.488 255 HB2 LEU 33 2HB LEU 33 10.447 4.622 -0.541 256 HB3 LEU 33 1HB LEU 33 11.396 3.600 -1.594 257 HG LEU 33 HG LEU 33 12.824 5.583 -2.126 258 HD11 LEU 33 1HD1 LEU 33 11.252 6.860 0.102 259 HD12 LEU 33 2HD1 LEU 33 11.261 7.355 -1.591 260 HD13 LEU 33 3HD1 LEU 33 12.721 7.510 -0.617 261 HD21 LEU 33 1HD2 LEU 33 13.512 3.923 -0.478 262 HD22 LEU 33 2HD2 LEU 33 12.641 4.798 0.781 263 HD23 LEU 33 3HD2 LEU 33 14.039 5.537 -0.004 264 HN1 NH2 34 1H LEU 33 11.658 3.167 -3.413 265 HN2 NH2 34 2H LEU 33 12.146 3.755 -4.959 Start of MODEL 19 1 H1 ASP 1 1HT ASP 1 -11.790 7.730 -6.024 2 H2 ASP 1 2HT ASP 1 -11.183 6.172 -6.348 3 H3 ASP 1 3HT ASP 1 -10.149 7.444 -6.211 4 HA ASP 1 HA ASP 1 -10.517 7.717 -3.917 5 HB2 ASP 1 2HB ASP 1 -12.376 5.338 -4.216 6 HB3 ASP 1 1HB ASP 1 -11.801 5.971 -2.685 7 H CYS 2 H CYS 2 -9.292 6.424 -2.390 8 HA CYS 2 HA CYS 2 -8.097 4.016 -3.435 9 HB2 CYS 2 2HB CYS 2 -5.850 4.909 -3.198 10 HB3 CYS 2 1HB CYS 2 -6.711 5.793 -4.431 11 H LEU 3 H LEU 3 -6.033 3.952 -1.726 12 HA LEU 3 HA LEU 3 -7.294 3.890 0.913 13 HB2 LEU 3 2HB LEU 3 -5.204 2.198 -0.355 14 HB3 LEU 3 1HB LEU 3 -5.675 2.045 1.332 15 HG LEU 3 HG LEU 3 -7.342 1.400 -1.109 16 HD11 LEU 3 1HD1 LEU 3 -6.321 -0.320 1.131 17 HD12 LEU 3 2HD1 LEU 3 -5.718 -0.292 -0.526 18 HD13 LEU 3 3HD1 LEU 3 -7.355 -0.856 -0.190 19 HD21 LEU 3 1HD2 LEU 3 -8.152 1.359 1.794 20 HD22 LEU 3 2HD2 LEU 3 -9.094 0.682 0.468 21 HD23 LEU 3 3HD2 LEU 3 -8.802 2.418 0.541 22 H GLY 4 H GLY 4 -5.825 4.405 2.670 23 HA2 GLY 4 2HA GLY 4 -3.709 6.044 1.733 24 HA3 GLY 4 1HA GLY 4 -4.459 6.127 3.342 25 H TRP 5 H TRP 5 -2.232 5.997 3.959 26 HA TRP 5 HA TRP 5 -0.450 4.058 3.166 27 HB2 TRP 5 2HB TRP 5 0.133 6.243 4.299 28 HB3 TRP 5 1HB TRP 5 -0.259 5.441 5.813 29 HD1 TRP 5 HD TRP 5 1.267 2.671 5.394 30 HE1 TRP 5 1HE TRP 5 3.838 2.598 5.331 31 HE3 TRP 5 3HE TRP 5 2.153 7.539 4.267 32 HZ2 TRP 5 2HZ TRP 5 5.957 4.393 4.865 33 HZ3 TRP 5 3HZ TRP 5 4.497 8.296 4.034 34 HH2 TRP 5 HH TRP 5 6.341 6.737 4.331 35 H PHE 6 H PHE 6 -1.936 4.247 6.236 36 HA PHE 6 HA PHE 6 -0.987 1.540 6.841 37 HB2 PHE 6 2HB PHE 6 -2.445 3.550 8.537 38 HB3 PHE 6 1HB PHE 6 -1.733 2.041 9.147 39 HD1 PHE 6 1HD PHE 6 0.840 1.839 8.677 40 HD2 PHE 6 2HD PHE 6 -1.347 5.482 8.695 41 HE1 PHE 6 1HE PHE 6 2.909 3.075 9.109 42 HE2 PHE 6 2HE PHE 6 0.718 6.726 9.117 43 HZ PHE 6 HZ PHE 6 2.846 5.526 9.327 44 H LYS 7 H LYS 7 -3.263 2.208 4.979 45 HA LYS 7 HA LYS 7 -5.359 0.776 6.369 46 HB2 LYS 7 2HB LYS 7 -5.366 1.766 3.548 47 HB3 LYS 7 1HB LYS 7 -6.719 1.132 4.437 48 HG2 LYS 7 2HG LYS 7 -5.298 3.722 5.013 49 HG3 LYS 7 1HG LYS 7 -6.914 3.528 4.340 50 HD2 LYS 7 2HD LYS 7 -6.035 2.685 7.111 51 HD3 LYS 7 1HD LYS 7 -6.966 4.127 6.737 52 HE2 LYS 7 2HE LYS 7 -7.845 1.261 6.335 53 HE3 LYS 7 1HE LYS 7 -8.408 2.357 7.592 54 HZ1 LYS 7 1HZ LYS 7 -8.898 2.546 4.676 55 HZ2 LYS 7 2HZ LYS 7 -9.227 3.806 5.698 56 HZ3 LYS 7 3HZ LYS 7 -10.040 2.341 5.879 57 H SER 8 H SER 8 -5.999 -1.170 5.857 58 HA SER 8 HA SER 8 -4.142 -3.015 5.038 59 HB2 SER 8 2HB SER 8 -7.058 -3.408 5.057 60 HB3 SER 8 1HB SER 8 -5.765 -4.443 5.659 61 HG SER 8 HG SER 8 -5.718 -3.467 7.480 62 H CYS 9 H CYS 9 -3.842 -3.828 3.114 63 HA CYS 9 HA CYS 9 -5.835 -3.635 1.011 64 HB2 CYS 9 2HB CYS 9 -4.478 -1.683 0.761 65 HB3 CYS 9 1HB CYS 9 -3.017 -2.685 0.755 66 H ASP 10 H ASP 10 -4.768 -4.758 -0.882 67 HA ASP 10 HA ASP 10 -3.220 -7.071 0.009 68 HB2 ASP 10 2HB ASP 10 -5.585 -7.750 -0.226 69 HB3 ASP 10 1HB ASP 10 -5.568 -7.187 -1.885 70 HA PRO 11 HA PRO 11 -0.574 -5.388 -3.093 71 HB2 PRO 11 2HB PRO 11 0.693 -7.800 -3.646 72 HB3 PRO 11 1HB PRO 11 1.206 -6.661 -2.374 73 HG2 PRO 11 2HG PRO 11 -0.452 -9.137 -2.218 74 HG3 PRO 11 1HG PRO 11 0.760 -8.521 -1.081 75 HD2 PRO 11 2HD PRO 11 -1.804 -8.304 -0.552 76 HD3 PRO 11 1HD PRO 11 -0.708 -6.950 -0.184 77 H LYS 12 H LYS 12 -2.533 -8.131 -3.674 78 HA LYS 12 HA LYS 12 -1.986 -8.141 -6.538 79 HB2 LYS 12 2HB LYS 12 -3.880 -9.926 -5.038 80 HB3 LYS 12 1HB LYS 12 -3.132 -10.228 -6.602 81 HG2 LYS 12 2HG LYS 12 -0.943 -10.429 -5.483 82 HG3 LYS 12 1HG LYS 12 -1.733 -10.159 -3.933 83 HD2 LYS 12 2HD LYS 12 -2.207 -12.476 -5.813 84 HD3 LYS 12 1HD LYS 12 -1.336 -12.533 -4.286 85 HE2 LYS 12 2HE LYS 12 -4.293 -11.995 -4.672 86 HE3 LYS 12 1HE LYS 12 -3.562 -13.452 -4.032 87 HZ1 LYS 12 1HZ LYS 12 -3.650 -10.770 -2.719 88 HZ2 LYS 12 2HZ LYS 12 -2.706 -12.049 -2.160 89 HZ3 LYS 12 3HZ LYS 12 -4.363 -12.198 -2.197 90 H ASN 13 H ASN 13 -4.033 -6.675 -4.389 91 HA ASN 13 HA ASN 13 -6.130 -6.154 -6.418 92 HB2 ASN 13 2HB ASN 13 -6.801 -7.820 -4.588 93 HB3 ASN 13 1HB ASN 13 -6.596 -6.507 -3.448 94 HD21 ASN 13 1HD2 ASN 13 -8.067 -6.329 -6.693 95 HD22 ASN 13 2HD2 ASN 13 -9.609 -5.841 -6.128 96 H ASP 14 H ASP 14 -3.966 -4.708 -6.059 97 HA ASP 14 HA ASP 14 -3.748 -2.859 -3.981 98 HB2 ASP 14 2HB ASP 14 -2.029 -3.397 -5.657 99 HB3 ASP 14 1HB ASP 14 -2.922 -2.389 -6.808 100 H LYS 15 H LYS 15 -4.780 -1.216 -3.452 101 HA LYS 15 HA LYS 15 -6.503 0.260 -5.328 102 HB2 LYS 15 2HB LYS 15 -6.944 -0.552 -2.483 103 HB3 LYS 15 1HB LYS 15 -7.868 0.724 -3.240 104 HG2 LYS 15 2HG LYS 15 -7.740 -2.147 -4.174 105 HG3 LYS 15 1HG LYS 15 -9.040 -1.459 -3.201 106 HD2 LYS 15 2HD LYS 15 -8.272 -0.556 -5.992 107 HD3 LYS 15 1HD LYS 15 -9.625 -1.603 -5.583 108 HE2 LYS 15 2HE LYS 15 -10.603 0.185 -4.233 109 HE3 LYS 15 1HE LYS 15 -9.265 1.246 -4.663 110 HZ1 LYS 15 1HZ LYS 15 -9.932 1.132 -6.958 111 HZ2 LYS 15 2HZ LYS 15 -11.221 1.658 -6.034 112 HZ3 LYS 15 3HZ LYS 15 -11.187 0.071 -6.603 113 H CYS 16 H CYS 16 -3.687 0.733 -4.431 114 HA CYS 16 HA CYS 16 -3.811 2.885 -2.550 115 HB2 CYS 16 2HB CYS 16 -1.647 1.596 -4.127 116 HB3 CYS 16 1HB CYS 16 -1.372 3.086 -3.227 117 H CYS 17 H CYS 17 -3.350 5.044 -2.869 118 HA CYS 17 HA CYS 17 -3.903 6.137 -5.413 119 HB2 CYS 17 2HB CYS 17 -3.295 7.165 -2.708 120 HB3 CYS 17 1HB CYS 17 -2.758 8.171 -4.022 121 H LYS 18 H LYS 18 -2.288 7.966 -5.854 122 HA LYS 18 HA LYS 18 -0.163 6.892 -7.271 123 HB2 LYS 18 2HB LYS 18 -1.279 8.986 -7.800 124 HB3 LYS 18 1HB LYS 18 -0.595 9.721 -6.359 125 HG2 LYS 18 2HG LYS 18 1.600 9.478 -7.227 126 HG3 LYS 18 1HG LYS 18 0.966 8.619 -8.643 127 HD2 LYS 18 2HD LYS 18 -0.318 10.618 -9.272 128 HD3 LYS 18 1HD LYS 18 0.339 11.473 -7.877 129 HE2 LYS 18 2HE LYS 18 1.986 10.382 -10.165 130 HE3 LYS 18 1HE LYS 18 1.454 12.053 -10.012 131 HZ1 LYS 18 1HZ LYS 18 3.713 11.765 -9.269 132 HZ2 LYS 18 2HZ LYS 18 3.235 10.642 -8.100 133 HZ3 LYS 18 3HZ LYS 18 2.732 12.239 -7.987 134 H ASN 19 H ASN 19 1.915 6.563 -6.882 135 HA ASN 19 HA ASN 19 3.975 6.478 -5.981 136 HB2 ASN 19 2HB ASN 19 3.478 8.990 -5.672 137 HB3 ASN 19 1HB ASN 19 3.224 8.607 -3.981 138 HD21 ASN 19 1HD2 ASN 19 4.978 8.018 -2.729 139 HD22 ASN 19 2HD2 ASN 19 6.617 8.237 -3.211 140 H TYR 20 H TYR 20 1.451 5.328 -4.744 141 HA TYR 20 HA TYR 20 2.815 4.098 -2.481 142 HB2 TYR 20 2HB TYR 20 -0.064 4.888 -2.747 143 HB3 TYR 20 1HB TYR 20 0.464 3.660 -1.639 144 HD1 TYR 20 1HD TYR 20 1.038 4.219 0.518 145 HD2 TYR 20 2HD TYR 20 1.179 7.242 -2.461 146 HE1 TYR 20 1HE TYR 20 1.541 5.852 2.232 147 HE2 TYR 20 2HE TYR 20 1.686 8.914 -0.742 148 HH TYR 20 HH TYR 20 2.527 7.991 2.458 149 H THR 21 H THR 21 2.018 1.969 -2.075 150 HA THR 21 HA THR 21 0.704 0.445 -4.183 151 HB THR 21 HB THR 21 3.413 -0.416 -3.361 152 HG1 THR 21 1HG THR 21 2.768 1.680 -4.976 153 HG21 THR 21 1HG2 THR 21 3.422 -1.503 -5.562 154 HG22 THR 21 2HG2 THR 21 1.838 -0.803 -5.887 155 HG23 THR 21 3HG2 THR 21 2.034 -1.976 -4.578 156 H CYS 22 H CYS 22 -0.202 -1.401 -3.033 157 HA CYS 22 HA CYS 22 0.600 -1.331 -0.328 158 HB2 CYS 22 2HB CYS 22 -1.193 -2.981 0.011 159 HB3 CYS 22 1HB CYS 22 -1.721 -1.345 -0.405 160 H SER 23 H SER 23 1.546 -2.666 0.803 161 HA SER 23 HA SER 23 3.301 -4.523 -0.537 162 HB2 SER 23 2HB SER 23 4.231 -2.931 1.040 163 HB3 SER 23 1HB SER 23 3.091 -3.428 2.280 164 HG SER 23 HG SER 23 5.478 -4.567 1.493 165 H ARG 24 H ARG 24 3.619 -6.682 0.400 166 HA ARG 24 HA ARG 24 1.131 -7.877 1.377 167 HB2 ARG 24 2HB ARG 24 2.721 -8.817 -0.509 168 HB3 ARG 24 1HB ARG 24 3.693 -9.322 0.865 169 HG2 ARG 24 2HG ARG 24 0.848 -10.213 0.298 170 HG3 ARG 24 1HG ARG 24 2.293 -11.177 0.044 171 HD2 ARG 24 2HD ARG 24 1.261 -10.139 2.669 172 HD3 ARG 24 1HD ARG 24 1.119 -11.809 2.101 173 HE ARG 24 HE ARG 24 3.794 -11.289 2.030 174 HH11 ARG 24 1HH1 ARG 24 1.358 -11.174 4.607 175 HH12 ARG 24 2HH1 ARG 24 2.481 -11.430 5.858 176 HH21 ARG 24 1HH2 ARG 24 5.334 -11.596 3.809 177 HH22 ARG 24 2HH2 ARG 24 4.742 -11.678 5.407 178 H ARG 25 H ARG 25 4.581 -7.510 2.005 179 HA ARG 25 HA ARG 25 5.069 -8.705 4.388 180 HB2 ARG 25 2HB ARG 25 6.749 -7.570 3.084 181 HB3 ARG 25 1HB ARG 25 5.945 -6.036 3.334 182 HG2 ARG 25 2HG ARG 25 6.387 -6.210 5.708 183 HG3 ARG 25 1HG ARG 25 7.317 -7.690 5.383 184 HD2 ARG 25 2HD ARG 25 8.902 -6.493 4.078 185 HD3 ARG 25 1HD ARG 25 7.907 -5.034 4.089 186 HE ARG 25 HE ARG 25 8.361 -5.529 6.682 187 HH11 ARG 25 1HH1 ARG 25 10.518 -5.088 3.895 188 HH12 ARG 25 2HH1 ARG 25 11.773 -4.407 4.802 189 HH21 ARG 25 1HH2 ARG 25 10.107 -4.588 7.913 190 HH22 ARG 25 2HH2 ARG 25 11.551 -4.109 7.139 191 H ASP 26 H ASP 26 4.051 -5.388 3.891 192 HA ASP 26 HA ASP 26 3.386 -5.091 6.687 193 HB2 ASP 26 2HB ASP 26 3.343 -3.101 4.425 194 HB3 ASP 26 1HB ASP 26 2.953 -2.796 6.087 195 H ARG 27 H ARG 27 1.761 -5.857 3.701 196 HA ARG 27 HA ARG 27 -0.189 -5.611 2.888 197 HB2 ARG 27 2HB ARG 27 -0.566 -6.784 5.520 198 HB3 ARG 27 1HB ARG 27 -2.004 -6.134 4.709 199 HG2 ARG 27 2HG ARG 27 -1.424 -7.543 2.754 200 HG3 ARG 27 1HG ARG 27 -0.094 -8.218 3.706 201 HD2 ARG 27 2HD ARG 27 -1.527 -9.254 5.213 202 HD3 ARG 27 1HD ARG 27 -2.892 -8.233 4.776 203 HE ARG 27 HE ARG 27 -1.934 -9.989 2.684 204 HH11 ARG 27 1HH1 ARG 27 -4.197 -9.630 5.387 205 HH12 ARG 27 2HH1 ARG 27 -5.302 -10.780 4.812 206 HH21 ARG 27 1HH2 ARG 27 -3.450 -11.558 1.884 207 HH22 ARG 27 2HH2 ARG 27 -4.870 -11.912 2.770 208 H TRP 28 H TRP 28 0.794 -3.108 4.151 209 HA TRP 28 HA TRP 28 -1.790 -1.802 4.002 210 HB2 TRP 28 2HB TRP 28 -0.860 0.081 5.248 211 HB3 TRP 28 1HB TRP 28 -0.767 -1.402 6.155 212 HD1 TRP 28 HD TRP 28 2.000 -0.314 3.679 213 HE1 TRP 28 1HE TRP 28 4.143 0.180 5.111 214 HE3 TRP 28 3HE TRP 28 0.011 -0.829 8.254 215 HZ2 TRP 28 2HZ TRP 28 4.816 0.372 7.836 216 HZ3 TRP 28 3HZ TRP 28 1.414 -0.463 10.257 217 HH2 TRP 28 HH TRP 28 3.781 0.126 10.036 218 H CYS 29 H CYS 29 -1.346 0.549 3.219 219 HA CYS 29 HA CYS 29 -0.339 0.208 0.542 220 HB2 CYS 29 2HB CYS 29 -2.511 1.303 1.100 221 HB3 CYS 29 1HB CYS 29 -1.606 2.583 1.893 222 H LYS 30 H LYS 30 1.835 0.212 0.575 223 HA LYS 30 HA LYS 30 3.274 1.808 2.470 224 HB2 LYS 30 2HB LYS 30 3.655 -0.647 1.894 225 HB3 LYS 30 1HB LYS 30 4.308 -0.078 0.372 226 HG2 LYS 30 2HG LYS 30 6.004 1.176 1.584 227 HG3 LYS 30 1HG LYS 30 5.346 0.554 3.108 228 HD2 LYS 30 2HD LYS 30 5.752 -1.760 2.270 229 HD3 LYS 30 1HD LYS 30 6.548 -1.071 0.860 230 HE2 LYS 30 2HE LYS 30 8.229 -1.745 2.436 231 HE3 LYS 30 1HE LYS 30 8.179 0.017 2.403 232 HZ1 LYS 30 1HZ LYS 30 6.826 -1.678 4.436 233 HZ2 LYS 30 2HZ LYS 30 6.952 0.015 4.464 234 HZ3 LYS 30 3HZ LYS 30 8.316 -0.935 4.656 235 H TYR 31 H TYR 31 4.480 3.493 1.924 236 HA TYR 31 HA TYR 31 4.063 5.012 -0.410 237 HB2 TYR 31 2HB TYR 31 4.794 5.798 1.873 238 HB3 TYR 31 1HB TYR 31 6.353 5.069 1.514 239 HD1 TYR 31 1HD TYR 31 8.028 6.314 0.418 240 HD2 TYR 31 2HD TYR 31 4.016 7.719 0.412 241 HE1 TYR 31 1HE TYR 31 8.788 8.470 -0.478 242 HE2 TYR 31 2HE TYR 31 4.757 9.862 -0.489 243 HH TYR 31 HH TYR 31 6.802 11.195 -0.487 244 H TYR 32 H TYR 32 5.021 4.742 -2.381 245 HA TYR 32 HA TYR 32 7.208 2.875 -2.559 246 HB2 TYR 32 2HB TYR 32 5.457 2.672 -4.235 247 HB3 TYR 32 1HB TYR 32 5.699 4.352 -4.710 248 HD1 TYR 32 1HD TYR 32 7.593 1.181 -4.387 249 HD2 TYR 32 2HD TYR 32 7.071 4.800 -6.525 250 HE1 TYR 32 1HE TYR 32 9.280 0.440 -6.007 251 HE2 TYR 32 2HE TYR 32 8.761 4.098 -8.168 252 HH TYR 32 HH TYR 32 10.686 2.553 -8.276 253 H LEU 33 H LEU 33 9.114 3.484 -2.372 254 HA LEU 33 HA LEU 33 9.867 6.235 -3.012 255 HB2 LEU 33 2HB LEU 33 10.184 5.519 -0.648 256 HB3 LEU 33 1HB LEU 33 11.249 4.247 -1.200 257 HG LEU 33 HG LEU 33 12.825 5.957 -2.039 258 HD11 LEU 33 1HD1 LEU 33 12.542 8.290 -1.359 259 HD12 LEU 33 2HD1 LEU 33 10.941 7.913 -0.726 260 HD13 LEU 33 3HD1 LEU 33 11.262 7.776 -2.455 261 HD21 LEU 33 1HD2 LEU 33 13.115 4.997 0.178 262 HD22 LEU 33 2HD2 LEU 33 12.063 6.234 0.864 263 HD23 LEU 33 3HD2 LEU 33 13.613 6.688 0.153 264 HN1 NH2 34 1H LEU 33 10.079 5.738 -5.199 265 HN2 NH2 34 2H LEU 33 11.356 4.755 -5.823 Start of MODEL 20 1 H1 ASP 1 1HT ASP 1 -10.824 5.596 -6.388 2 H2 ASP 1 2HT ASP 1 -12.352 5.810 -5.703 3 H3 ASP 1 3HT ASP 1 -11.555 4.306 -5.594 4 HA ASP 1 HA ASP 1 -10.622 6.833 -4.414 5 HB2 ASP 1 2HB ASP 1 -11.868 4.403 -3.096 6 HB3 ASP 1 1HB ASP 1 -11.102 5.726 -2.229 7 H CYS 2 H CYS 2 -8.912 6.343 -2.786 8 HA CYS 2 HA CYS 2 -7.362 4.000 -3.499 9 HB2 CYS 2 2HB CYS 2 -5.306 5.392 -3.464 10 HB3 CYS 2 1HB CYS 2 -6.329 5.696 -4.840 11 H LEU 3 H LEU 3 -5.252 4.392 -1.916 12 HA LEU 3 HA LEU 3 -6.511 4.465 0.710 13 HB2 LEU 3 2HB LEU 3 -4.257 2.733 -0.254 14 HB3 LEU 3 1HB LEU 3 -4.861 2.791 1.386 15 HG LEU 3 HG LEU 3 -6.352 1.809 -1.037 16 HD11 LEU 3 1HD1 LEU 3 -5.213 0.382 1.349 17 HD12 LEU 3 2HD1 LEU 3 -4.625 0.299 -0.313 18 HD13 LEU 3 3HD1 LEU 3 -6.210 -0.359 0.100 19 HD21 LEU 3 1HD2 LEU 3 -7.900 2.853 0.525 20 HD22 LEU 3 2HD2 LEU 3 -7.217 1.920 1.854 21 HD23 LEU 3 3HD2 LEU 3 -8.087 1.099 0.558 22 H GLY 4 H GLY 4 -5.091 5.054 2.420 23 HA2 GLY 4 2HA GLY 4 -3.274 6.986 1.464 24 HA3 GLY 4 1HA GLY 4 -3.788 6.846 3.163 25 H TRP 5 H TRP 5 -2.470 5.612 4.557 26 HA TRP 5 HA TRP 5 -0.336 4.249 3.271 27 HB2 TRP 5 2HB TRP 5 0.223 6.387 4.521 28 HB3 TRP 5 1HB TRP 5 -0.223 5.512 5.971 29 HD1 TRP 5 HD TRP 5 1.228 2.793 5.607 30 HE1 TRP 5 1HE TRP 5 3.813 2.614 5.613 31 HE3 TRP 5 3HE TRP 5 2.355 7.602 4.391 32 HZ2 TRP 5 2HZ TRP 5 6.023 4.316 5.159 33 HZ3 TRP 5 3HZ TRP 5 4.726 8.260 4.198 34 HH2 TRP 5 HH TRP 5 6.513 6.646 4.577 35 H PHE 6 H PHE 6 -1.918 4.406 6.295 36 HA PHE 6 HA PHE 6 -1.211 1.611 6.810 37 HB2 PHE 6 2HB PHE 6 -2.714 3.528 8.603 38 HB3 PHE 6 1HB PHE 6 -1.930 2.018 9.073 39 HD1 PHE 6 1HD PHE 6 -1.592 5.531 8.585 40 HD2 PHE 6 2HD PHE 6 0.565 1.883 8.917 41 HE1 PHE 6 1HE PHE 6 0.448 6.782 9.101 42 HE2 PHE 6 2HE PHE 6 2.598 3.130 9.431 43 HZ PHE 6 HZ PHE 6 2.534 5.589 9.524 44 H LYS 7 H LYS 7 -3.291 2.345 4.822 45 HA LYS 7 HA LYS 7 -5.576 1.011 6.035 46 HB2 LYS 7 2HB LYS 7 -5.235 1.998 3.229 47 HB3 LYS 7 1HB LYS 7 -6.687 1.320 3.902 48 HG2 LYS 7 2HG LYS 7 -5.414 3.914 4.760 49 HG3 LYS 7 1HG LYS 7 -6.883 3.739 3.803 50 HD2 LYS 7 2HD LYS 7 -6.507 2.834 6.672 51 HD3 LYS 7 1HD LYS 7 -7.394 4.253 6.147 52 HE2 LYS 7 2HE LYS 7 -8.107 1.376 5.551 53 HE3 LYS 7 1HE LYS 7 -8.911 2.431 6.700 54 HZ1 LYS 7 1HZ LYS 7 -9.533 3.884 4.805 55 HZ2 LYS 7 2HZ LYS 7 -10.202 2.371 4.743 56 HZ3 LYS 7 3HZ LYS 7 -8.919 2.727 3.734 57 H SER 8 H SER 8 -6.337 -0.969 5.299 58 HA SER 8 HA SER 8 -4.345 -2.830 4.793 59 HB2 SER 8 2HB SER 8 -7.251 -3.294 4.513 60 HB3 SER 8 1HB SER 8 -5.997 -4.276 5.260 61 HG SER 8 HG SER 8 -6.824 -3.492 7.023 62 H CYS 9 H CYS 9 -3.839 -3.719 2.940 63 HA CYS 9 HA CYS 9 -5.565 -3.515 0.623 64 HB2 CYS 9 2HB CYS 9 -4.106 -1.613 0.550 65 HB3 CYS 9 1HB CYS 9 -2.706 -2.695 0.659 66 H ASP 10 H ASP 10 -4.301 -4.680 -1.114 67 HA ASP 10 HA ASP 10 -2.863 -7.003 -0.090 68 HB2 ASP 10 2HB ASP 10 -5.356 -7.526 -0.315 69 HB3 ASP 10 1HB ASP 10 -5.138 -7.316 -2.048 70 HA PRO 11 HA PRO 11 -0.316 -5.701 -3.480 71 HB2 PRO 11 2HB PRO 11 0.736 -8.234 -3.979 72 HB3 PRO 11 1HB PRO 11 1.445 -7.017 -2.894 73 HG2 PRO 11 2HG PRO 11 -0.273 -9.380 -2.301 74 HG3 PRO 11 1HG PRO 11 1.045 -8.691 -1.339 75 HD2 PRO 11 2HD PRO 11 -1.492 -8.332 -0.657 76 HD3 PRO 11 1HD PRO 11 -0.314 -7.012 -0.469 77 H LYS 12 H LYS 12 -2.453 -8.413 -3.741 78 HA LYS 12 HA LYS 12 -2.202 -8.511 -6.640 79 HB2 LYS 12 2HB LYS 12 -3.793 -10.202 -4.722 80 HB3 LYS 12 1HB LYS 12 -3.680 -10.465 -6.458 81 HG2 LYS 12 2HG LYS 12 -1.342 -10.952 -6.290 82 HG3 LYS 12 1HG LYS 12 -1.328 -10.506 -4.583 83 HD2 LYS 12 2HD LYS 12 -1.353 -12.923 -4.841 84 HD3 LYS 12 1HD LYS 12 -2.842 -12.363 -4.092 85 HE2 LYS 12 2HE LYS 12 -4.001 -12.558 -6.242 86 HE3 LYS 12 1HE LYS 12 -2.499 -13.075 -7.001 87 HZ1 LYS 12 1HZ LYS 12 -4.021 -14.910 -6.405 88 HZ2 LYS 12 2HZ LYS 12 -3.785 -14.546 -4.767 89 HZ3 LYS 12 3HZ LYS 12 -2.487 -15.035 -5.724 90 H ASN 13 H ASN 13 -3.917 -6.764 -4.440 91 HA ASN 13 HA ASN 13 -5.982 -6.127 -6.399 92 HB2 ASN 13 2HB ASN 13 -6.757 -7.848 -4.667 93 HB3 ASN 13 1HB ASN 13 -6.613 -6.568 -3.485 94 HD21 ASN 13 1HD2 ASN 13 -7.718 -6.062 -6.784 95 HD22 ASN 13 2HD2 ASN 13 -9.326 -5.618 -6.388 96 H ASP 14 H ASP 14 -3.773 -4.804 -5.946 97 HA ASP 14 HA ASP 14 -3.508 -2.974 -3.886 98 HB2 ASP 14 2HB ASP 14 -1.821 -3.432 -5.604 99 HB3 ASP 14 1HB ASP 14 -2.786 -2.488 -6.749 100 H LYS 15 H LYS 15 -4.437 -1.234 -3.307 101 HA LYS 15 HA LYS 15 -6.390 0.139 -5.032 102 HB2 LYS 15 2HB LYS 15 -6.420 -0.334 -2.062 103 HB3 LYS 15 1HB LYS 15 -7.572 0.638 -2.952 104 HG2 LYS 15 2HG LYS 15 -7.140 -2.331 -3.272 105 HG3 LYS 15 1HG LYS 15 -8.452 -1.578 -2.365 106 HD2 LYS 15 2HD LYS 15 -9.269 -0.535 -4.421 107 HD3 LYS 15 1HD LYS 15 -7.955 -1.290 -5.329 108 HE2 LYS 15 2HE LYS 15 -10.026 -2.554 -5.574 109 HE3 LYS 15 1HE LYS 15 -8.802 -3.497 -4.728 110 HZ1 LYS 15 1HZ LYS 15 -10.978 -3.688 -3.667 111 HZ2 LYS 15 2HZ LYS 15 -11.044 -2.033 -3.453 112 HZ3 LYS 15 3HZ LYS 15 -9.891 -2.928 -2.626 113 H CYS 16 H CYS 16 -3.451 0.582 -4.389 114 HA CYS 16 HA CYS 16 -3.406 2.730 -2.552 115 HB2 CYS 16 2HB CYS 16 -1.351 1.330 -4.134 116 HB3 CYS 16 1HB CYS 16 -0.969 2.896 -3.406 117 H CYS 17 H CYS 17 -2.145 4.704 -3.027 118 HA CYS 17 HA CYS 17 -3.523 5.952 -5.273 119 HB2 CYS 17 2HB CYS 17 -3.690 6.546 -2.633 120 HB3 CYS 17 1HB CYS 17 -2.376 7.593 -3.128 121 H LYS 18 H LYS 18 -2.123 8.268 -5.188 122 HA LYS 18 HA LYS 18 -0.048 7.774 -6.975 123 HB2 LYS 18 2HB LYS 18 -1.421 9.738 -7.036 124 HB3 LYS 18 1HB LYS 18 -0.869 10.204 -5.435 125 HG2 LYS 18 2HG LYS 18 1.326 10.566 -6.250 126 HG3 LYS 18 1HG LYS 18 0.850 10.007 -7.865 127 HD2 LYS 18 2HD LYS 18 -0.752 11.823 -8.036 128 HD3 LYS 18 1HD LYS 18 -0.326 12.383 -6.420 129 HE2 LYS 18 2HE LYS 18 0.741 13.722 -8.199 130 HE3 LYS 18 1HE LYS 18 1.915 12.926 -7.157 131 HZ1 LYS 18 1HZ LYS 18 2.268 11.262 -8.829 132 HZ2 LYS 18 2HZ LYS 18 2.490 12.762 -9.508 133 HZ3 LYS 18 3HZ LYS 18 1.070 11.906 -9.827 134 H ASN 19 H ASN 19 1.944 7.098 -6.543 135 HA ASN 19 HA ASN 19 4.040 6.956 -5.750 136 HB2 ASN 19 2HB ASN 19 3.790 9.397 -5.496 137 HB3 ASN 19 1HB ASN 19 3.302 9.180 -3.833 138 HD21 ASN 19 1HD2 ASN 19 5.944 7.353 -5.393 139 HD22 ASN 19 2HD2 ASN 19 7.155 7.995 -4.373 140 H TYR 20 H TYR 20 1.635 5.747 -4.555 141 HA TYR 20 HA TYR 20 2.998 4.452 -2.299 142 HB2 TYR 20 2HB TYR 20 0.074 5.076 -2.603 143 HB3 TYR 20 1HB TYR 20 0.710 3.938 -1.454 144 HD1 TYR 20 1HD TYR 20 0.601 7.538 -2.321 145 HD2 TYR 20 2HD TYR 20 1.724 4.653 0.595 146 HE1 TYR 20 1HE TYR 20 0.935 9.321 -0.686 147 HE2 TYR 20 2HE TYR 20 2.066 6.420 2.229 148 HH TYR 20 HH TYR 20 2.583 8.894 2.184 149 H THR 21 H THR 21 2.234 2.235 -1.967 150 HA THR 21 HA THR 21 0.853 0.763 -4.007 151 HB THR 21 HB THR 21 3.724 0.039 -3.552 152 HG1 THR 21 1HG THR 21 2.675 1.946 -5.226 153 HG21 THR 21 1HG2 THR 21 3.427 -1.321 -5.589 154 HG22 THR 21 2HG2 THR 21 1.767 -0.730 -5.682 155 HG23 THR 21 3HG2 THR 21 2.273 -1.721 -4.313 156 H CYS 22 H CYS 22 0.244 -1.321 -2.990 157 HA CYS 22 HA CYS 22 0.923 -1.127 -0.252 158 HB2 CYS 22 2HB CYS 22 -0.760 -2.878 0.064 159 HB3 CYS 22 1HB CYS 22 -1.366 -1.294 -0.432 160 H SER 23 H SER 23 1.689 -2.503 1.048 161 HA SER 23 HA SER 23 3.777 -4.174 -0.000 162 HB2 SER 23 2HB SER 23 4.269 -2.619 1.773 163 HB3 SER 23 1HB SER 23 2.934 -3.221 2.741 164 HG SER 23 HG SER 23 5.142 -3.902 3.305 165 H ARG 24 H ARG 24 4.118 -6.300 0.972 166 HA ARG 24 HA ARG 24 1.633 -7.766 1.525 167 HB2 ARG 24 2HB ARG 24 2.817 -8.612 -0.350 168 HB3 ARG 24 1HB ARG 24 4.322 -8.615 0.574 169 HG2 ARG 24 2HG ARG 24 3.369 -10.908 0.254 170 HG3 ARG 24 1HG ARG 24 3.560 -10.445 1.940 171 HD2 ARG 24 2HD ARG 24 1.177 -9.857 2.054 172 HD3 ARG 24 1HD ARG 24 0.992 -10.313 0.369 173 HE ARG 24 HE ARG 24 1.466 -12.569 0.967 174 HH11 ARG 24 1HH1 ARG 24 1.070 -10.493 3.819 175 HH12 ARG 24 2HH1 ARG 24 0.270 -11.679 4.748 176 HH21 ARG 24 1HH2 ARG 24 0.458 -14.236 2.319 177 HH22 ARG 24 2HH2 ARG 24 -0.010 -13.854 3.906 178 H ARG 25 H ARG 25 4.824 -6.982 2.612 179 HA ARG 25 HA ARG 25 5.043 -8.624 4.852 180 HB2 ARG 25 2HB ARG 25 6.861 -7.297 3.790 181 HB3 ARG 25 1HB ARG 25 6.086 -5.828 4.368 182 HG2 ARG 25 2HG ARG 25 6.383 -6.676 6.657 183 HG3 ARG 25 1HG ARG 25 7.327 -8.007 5.957 184 HD2 ARG 25 2HD ARG 25 8.852 -6.285 6.698 185 HD3 ARG 25 1HD ARG 25 8.841 -6.336 4.937 186 HE ARG 25 HE ARG 25 6.975 -4.420 5.612 187 HH11 ARG 25 1HH1 ARG 25 10.457 -4.816 6.121 188 HH12 ARG 25 2HH1 ARG 25 10.721 -3.134 6.311 189 HH21 ARG 25 1HH2 ARG 25 7.330 -2.253 5.941 190 HH22 ARG 25 2HH2 ARG 25 8.906 -1.630 6.231 191 H ASP 26 H ASP 26 4.051 -5.300 4.389 192 HA ASP 26 HA ASP 26 3.052 -5.012 7.084 193 HB2 ASP 26 2HB ASP 26 3.068 -3.035 4.816 194 HB3 ASP 26 1HB ASP 26 2.900 -2.728 6.528 195 H ARG 27 H ARG 27 1.894 -5.599 3.805 196 HA ARG 27 HA ARG 27 0.055 -5.423 2.723 197 HB2 ARG 27 2HB ARG 27 -1.270 -6.243 5.295 198 HB3 ARG 27 1HB ARG 27 -1.860 -6.363 3.625 199 HG2 ARG 27 2HG ARG 27 -0.034 -7.873 3.100 200 HG3 ARG 27 1HG ARG 27 0.446 -7.848 4.797 201 HD2 ARG 27 2HD ARG 27 -0.852 -9.776 4.474 202 HD3 ARG 27 1HD ARG 27 -1.865 -8.630 5.357 203 HE ARG 27 HE ARG 27 -2.080 -8.946 2.437 204 HH11 ARG 27 1HH1 ARG 27 -3.631 -8.947 5.638 205 HH12 ARG 27 2HH1 ARG 27 -5.175 -9.287 5.031 206 HH21 ARG 27 1HH2 ARG 27 -4.253 -9.423 1.592 207 HH22 ARG 27 2HH2 ARG 27 -5.536 -9.574 2.691 208 H TRP 28 H TRP 28 0.776 -2.960 4.380 209 HA TRP 28 HA TRP 28 -1.799 -1.730 3.924 210 HB2 TRP 28 2HB TRP 28 -1.019 0.209 5.276 211 HB3 TRP 28 1HB TRP 28 -1.036 -1.289 6.156 212 HD1 TRP 28 HD TRP 28 1.981 -0.151 4.026 213 HE1 TRP 28 1HE TRP 28 3.964 0.256 5.688 214 HE3 TRP 28 3HE TRP 28 -0.493 -0.797 8.383 215 HZ2 TRP 28 2HZ TRP 28 4.353 0.313 8.482 216 HZ3 TRP 28 3HZ TRP 28 0.695 -0.544 10.502 217 HH2 TRP 28 HH TRP 28 3.089 -0.000 10.554 218 H CYS 29 H CYS 29 -1.427 0.660 3.191 219 HA CYS 29 HA CYS 29 -0.215 0.436 0.577 220 HB2 CYS 29 2HB CYS 29 -2.467 1.523 1.139 221 HB3 CYS 29 1HB CYS 29 -1.531 2.836 1.841 222 H LYS 30 H LYS 30 1.925 0.498 0.692 223 HA LYS 30 HA LYS 30 3.212 2.122 2.687 224 HB2 LYS 30 2HB LYS 30 3.652 -0.305 2.425 225 HB3 LYS 30 1HB LYS 30 4.215 -0.005 0.798 226 HG2 LYS 30 2HG LYS 30 6.094 1.181 1.597 227 HG3 LYS 30 1HG LYS 30 5.477 1.141 3.260 228 HD2 LYS 30 2HD LYS 30 5.600 -1.325 3.238 229 HD3 LYS 30 1HD LYS 30 6.238 -1.278 1.600 230 HE2 LYS 30 2HE LYS 30 7.590 -0.015 3.978 231 HE3 LYS 30 1HE LYS 30 7.935 -1.643 3.411 232 HZ1 LYS 30 1HZ LYS 30 8.661 -0.742 1.319 233 HZ2 LYS 30 2HZ LYS 30 9.512 0.031 2.567 234 HZ3 LYS 30 3HZ LYS 30 8.252 0.814 1.786 235 H TYR 31 H TYR 31 4.495 3.783 2.152 236 HA TYR 31 HA TYR 31 4.206 5.270 -0.175 237 HB2 TYR 31 2HB TYR 31 5.086 6.082 2.009 238 HB3 TYR 31 1HB TYR 31 6.549 5.154 1.694 239 HD1 TYR 31 1HD TYR 31 4.598 8.108 0.662 240 HD2 TYR 31 2HD TYR 31 8.266 5.996 0.283 241 HE1 TYR 31 1HE TYR 31 5.613 10.060 -0.414 242 HE2 TYR 31 2HE TYR 31 9.281 7.933 -0.795 243 HH TYR 31 HH TYR 31 8.500 9.872 -2.080 244 H TYR 32 H TYR 32 5.106 5.079 -2.159 245 HA TYR 32 HA TYR 32 6.938 2.859 -2.543 246 HB2 TYR 32 2HB TYR 32 4.877 2.906 -3.892 247 HB3 TYR 32 1HB TYR 32 5.356 4.459 -4.559 248 HD1 TYR 32 1HD TYR 32 6.893 1.104 -4.089 249 HD2 TYR 32 2HD TYR 32 6.197 4.374 -6.694 250 HE1 TYR 32 1HE TYR 32 8.093 -0.086 -5.885 251 HE2 TYR 32 2HE TYR 32 7.392 3.213 -8.498 252 HH TYR 32 HH TYR 32 9.017 1.474 -8.790 253 H LEU 33 H LEU 33 8.953 3.103 -3.269 254 HA LEU 33 HA LEU 33 9.942 5.819 -3.357 255 HB2 LEU 33 2HB LEU 33 11.388 3.165 -3.245 256 HB3 LEU 33 1HB LEU 33 12.197 4.705 -3.364 257 HG LEU 33 HG LEU 33 12.364 3.995 -1.125 258 HD11 LEU 33 1HD1 LEU 33 10.219 6.078 -1.240 259 HD12 LEU 33 2HD1 LEU 33 11.954 6.345 -1.379 260 HD13 LEU 33 3HD1 LEU 33 11.272 5.751 0.137 261 HD21 LEU 33 1HD2 LEU 33 10.579 2.336 -1.026 262 HD22 LEU 33 2HD2 LEU 33 9.369 3.615 -1.076 263 HD23 LEU 33 3HD2 LEU 33 10.435 3.469 0.319 264 HN1 NH2 34 1H LEU 33 9.151 6.403 -5.322 265 HN2 NH2 34 2H LEU 33 9.745 5.779 -6.825
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