NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27127 | 2p4l | 15174 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -20.401 4.825 -4.870 2 H2 GLY 1 2H GLY 1 -20.252 5.194 -6.521 3 H3 GLY 1 3H GLY 1 -19.583 6.228 -5.354 4 HA2 GLY 1 2HA GLY 1 -18.713 3.427 -5.810 5 HA3 GLY 1 1HA GLY 1 -17.903 4.847 -6.471 6 HA HYP 2 HA HYP 2 -17.359 4.815 -1.671 7 HB2 HYP 2 1HB HYP 2 -17.310 2.308 -0.577 8 HB3 HYP 2 2HB HYP 2 -18.788 3.283 -0.694 9 HG HYP 2 HG HYP 2 -17.835 1.067 -2.436 10 HD22 HYP 2 1HD HYP 2 -19.865 2.930 -3.533 11 HD23 HYP 2 2HD HYP 2 -18.602 1.995 -4.362 12 HD1 HYP 2 HOD HYP 2 -19.799 0.298 -2.005 13 H SER 3 H SER 3 -15.304 4.447 -0.574 14 HA SER 3 HA SER 3 -13.089 3.919 -2.325 15 HB2 SER 3 2HB SER 3 -12.548 3.673 0.546 16 HB3 SER 3 1HB SER 3 -11.974 4.887 -0.591 17 HG SER 3 HG SER 3 -13.390 6.179 0.262 18 H PHE 4 H PHE 4 -12.534 1.866 -3.030 19 HA PHE 4 HA PHE 4 -13.025 -0.446 -1.183 20 HB2 PHE 4 2HB PHE 4 -13.334 -1.758 -3.149 21 HB3 PHE 4 1HB PHE 4 -14.147 -0.237 -3.494 22 HD1 PHE 4 HD1 PHE 4 -13.130 1.417 -5.024 23 HD2 PHE 4 HD2 PHE 4 -11.324 -2.411 -4.308 24 HE1 PHE 4 HE1 PHE 4 -11.723 1.703 -7.045 25 HE2 PHE 4 HE2 PHE 4 -9.916 -2.127 -6.326 26 HZ PHE 4 HZ PHE 4 -10.118 -0.071 -7.699 27 H CYS 5 H CYS 5 -11.259 -1.690 -0.552 28 HA CYS 5 HA CYS 5 -8.778 -1.929 -1.966 29 HB2 CYS 5 2HB CYS 5 -7.497 -0.466 -0.205 30 HB3 CYS 5 1HB CYS 5 -8.312 0.339 -1.543 31 H LYS 6 H LYS 6 -7.020 -2.862 -0.422 32 HA LYS 6 HA LYS 6 -8.271 -4.854 1.339 33 HB2 LYS 6 2HB LYS 6 -6.207 -4.884 -0.378 34 HB3 LYS 6 1HB LYS 6 -5.315 -4.443 1.078 35 HG2 LYS 6 2HG LYS 6 -5.337 -6.876 0.830 36 HG3 LYS 6 1HG LYS 6 -6.287 -6.415 2.241 37 HD2 LYS 6 2HD LYS 6 -7.975 -7.634 1.351 38 HD3 LYS 6 1HD LYS 6 -8.144 -6.339 0.167 39 HE2 LYS 6 2HE LYS 6 -6.100 -7.739 -0.974 40 HE3 LYS 6 1HE LYS 6 -6.974 -9.056 -0.166 41 HZ1 LYS 6 3HZ LYS 6 -8.085 -7.052 -2.064 42 HZ2 LYS 6 1HZ LYS 6 -9.060 -8.076 -1.127 43 HZ3 LYS 6 2HZ LYS 6 -7.999 -8.732 -2.277 44 H ALA 7 H ALA 7 -7.207 -5.185 3.571 45 HA ALA 7 HA ALA 7 -7.074 -2.538 4.957 46 HB1 ALA 7 3HB ALA 7 -7.098 -4.940 6.610 47 HB2 ALA 7 1HB ALA 7 -8.391 -4.964 5.411 48 HB3 ALA 7 2HB ALA 7 -8.266 -3.619 6.543 49 H ASP 8 H ASP 8 -5.621 -2.721 7.041 50 HA ASP 8 HA ASP 8 -2.870 -2.950 6.209 51 HB2 ASP 8 2HB ASP 8 -4.126 -2.769 8.964 52 HB3 ASP 8 1HB ASP 8 -2.441 -2.423 8.590 53 H GLU 9 H GLU 9 -1.382 -4.240 7.937 54 HA GLU 9 HA GLU 9 -0.623 -6.329 8.729 55 HB2 GLU 9 2HB GLU 9 -3.452 -7.356 8.492 56 HB3 GLU 9 1HB GLU 9 -2.219 -7.800 9.668 57 HG2 GLU 9 2HG GLU 9 -2.424 -5.185 10.261 58 HG3 GLU 9 1HG GLU 9 -4.047 -5.449 9.623 59 H LYS 10 H LYS 10 -3.197 -6.839 6.314 60 HA LYS 10 HA LYS 10 -1.768 -9.082 5.070 61 HB2 LYS 10 2HB LYS 10 -3.794 -9.039 3.585 62 HB3 LYS 10 1HB LYS 10 -4.191 -9.107 5.299 63 HG2 LYS 10 2HG LYS 10 -3.975 -6.358 4.530 64 HG3 LYS 10 1HG LYS 10 -5.033 -7.176 3.381 65 HD2 LYS 10 2HD LYS 10 -5.344 -7.583 6.359 66 HD3 LYS 10 1HD LYS 10 -6.113 -6.225 5.538 67 HE2 LYS 10 2HE LYS 10 -7.460 -7.658 4.184 68 HE3 LYS 10 1HE LYS 10 -6.473 -9.081 4.575 69 HZ1 LYS 10 3HZ LYS 10 -7.114 -8.858 6.893 70 HZ2 LYS 10 1HZ LYS 10 -8.496 -9.018 5.922 71 HZ3 LYS 10 2HZ LYS 10 -8.061 -7.495 6.532 72 HA HYP 11 HA HYP 11 0.448 -5.930 2.657 73 HB2 HYP 11 1HB HYP 11 2.334 -7.659 1.692 74 HB3 HYP 11 2HB HYP 11 2.423 -6.917 3.300 75 HG HYP 11 HG HYP 11 2.504 -9.102 3.911 76 HD22 HYP 11 1HD HYP 11 0.743 -8.396 5.160 77 HD23 HYP 11 2HD HYP 11 -0.109 -9.658 4.244 78 HD1 HYP 11 HOD HYP 11 0.693 -9.726 1.772 79 H CYS 12 H CYS 12 1.357 -6.182 0.231 80 HA CYS 12 HA CYS 12 -0.478 -7.887 -1.402 81 HB2 CYS 12 2HB CYS 12 -1.371 -6.012 -2.559 82 HB3 CYS 12 1HB CYS 12 -1.368 -5.510 -0.870 83 H GLU 13 H GLU 13 0.133 -7.324 -3.885 84 HA GLU 13 HA GLU 13 2.993 -7.954 -4.176 85 HB2 GLU 13 2HB GLU 13 0.536 -7.745 -5.913 86 HB3 GLU 13 1HB GLU 13 2.121 -7.765 -6.682 87 HG2 GLU 13 2HG GLU 13 1.970 -10.019 -6.563 88 HG3 GLU 13 1HG GLU 13 2.328 -9.818 -4.849 89 H TYR 14 H TYR 14 0.787 -5.357 -5.239 90 HA TYR 14 HA TYR 14 3.082 -3.665 -6.058 91 HB2 TYR 14 2HB TYR 14 0.118 -3.029 -6.126 92 HB3 TYR 14 1HB TYR 14 1.381 -2.354 -7.144 93 HD1 TYR 14 HD2 TYR 14 2.822 -4.437 -8.334 94 HD2 TYR 14 HD1 TYR 14 -1.321 -4.451 -7.209 95 HE1 TYR 14 HE2 TYR 14 2.364 -6.192 -10.029 96 HE2 TYR 14 HE1 TYR 14 -1.771 -6.209 -8.895 97 HH TYR 14 HH TYR 14 0.363 -8.114 -10.196 98 H HIS 15 H HIS 15 0.897 -1.442 -5.231 99 HA HIS 15 HA HIS 15 1.543 -1.370 -2.321 100 HB2 HIS 15 2HB HIS 15 2.953 0.027 -4.273 101 HB3 HIS 15 1HB HIS 15 1.818 1.223 -3.647 102 HD1 HIS 15 HD1 HIS 15 1.658 0.578 -0.734 103 HD2 HIS 15 HD2 HIS 15 5.259 0.474 -2.832 104 HE1 HIS 15 HE1 HIS 15 3.511 0.843 0.989 105 H ALA 16 H ALA 16 -0.728 -0.707 -4.860 106 HA ALA 16 HA ALA 16 -2.297 1.171 -3.188 107 HB1 ALA 16 3HB ALA 16 -2.875 0.086 -5.953 108 HB2 ALA 16 1HB ALA 16 -1.793 1.449 -5.666 109 HB3 ALA 16 2HB ALA 16 -3.497 1.569 -5.228 110 H ASP 17 H ASP 17 -2.156 -2.223 -3.647 111 HA ASP 17 HA ASP 17 -4.845 -3.066 -3.776 112 HB2 ASP 17 2HB ASP 17 -2.355 -4.058 -2.392 113 HB3 ASP 17 1HB ASP 17 -3.867 -4.950 -2.231 114 H CYS 18 H CYS 18 -2.948 -2.068 -0.946 115 HA CYS 18 HA CYS 18 -5.174 -2.382 0.940 116 HB2 CYS 18 2HB CYS 18 -2.322 -1.509 0.907 117 HB3 CYS 18 1HB CYS 18 -3.318 -0.964 2.253 118 H CYS 19 H CYS 19 -6.170 -0.592 2.086 119 HA CYS 19 HA CYS 19 -6.903 1.691 0.521 120 HB2 CYS 19 2HB CYS 19 -6.893 1.308 3.532 121 HB3 CYS 19 1HB CYS 19 -7.874 2.471 2.639 122 H ASN 20 H ASN 20 -3.940 1.043 2.087 123 HA ASN 20 HA ASN 20 -3.171 3.915 1.857 124 HB2 ASN 20 2HB ASN 20 -2.475 2.085 4.178 125 HB3 ASN 20 1HB ASN 20 -2.105 3.801 4.036 126 HD21 ASN 20 1HD2 ASN 20 -4.642 1.480 4.738 127 HD22 ASN 20 2HD2 ASN 20 -5.813 2.618 5.189 128 H CYS 21 H CYS 21 -1.341 1.119 3.153 129 HA CYS 21 HA CYS 21 0.316 1.045 0.658 130 HB2 CYS 21 2HB CYS 21 1.156 1.740 3.483 131 HB3 CYS 21 1HB CYS 21 2.318 1.104 2.320 132 H CYS 22 H CYS 22 1.354 -1.044 0.374 133 HA CYS 22 HA CYS 22 0.960 -3.047 2.531 134 HB2 CYS 22 2HB CYS 22 0.007 -4.577 0.691 135 HB3 CYS 22 1HB CYS 22 -1.038 -3.295 1.283 136 H LEU 23 H LEU 23 3.351 -2.853 2.619 137 HA LEU 23 HA LEU 23 4.923 -3.634 0.257 138 HB2 LEU 23 2HB LEU 23 5.443 -3.029 3.169 139 HB3 LEU 23 1HB LEU 23 6.732 -3.642 2.135 140 HG LEU 23 HG LEU 23 5.096 -1.309 1.180 141 HD11 LEU 23 1HD1 LEU 23 6.670 0.228 2.311 142 HD12 LEU 23 2HD1 LEU 23 7.427 -1.144 3.120 143 HD13 LEU 23 3HD1 LEU 23 5.756 -0.715 3.488 144 HD21 LEU 23 3HD2 LEU 23 7.063 -2.716 0.020 145 HD22 LEU 23 1HD2 LEU 23 8.059 -1.581 0.928 146 HD23 LEU 23 2HD2 LEU 23 6.883 -0.980 -0.243 147 H SER 24 H SER 24 6.315 -5.561 0.280 148 HA SER 24 HA SER 24 5.069 -8.016 0.574 149 HB2 SER 24 2HB SER 24 7.174 -7.764 -0.594 150 HB3 SER 24 1HB SER 24 7.981 -7.219 0.874 151 HG SER 24 HG SER 24 7.264 -9.780 0.049 152 H GLY 25 H GLY 25 6.991 -6.330 3.046 153 HA2 GLY 25 2HA GLY 25 6.989 -8.325 5.037 154 HA3 GLY 25 1HA GLY 25 7.022 -6.593 5.380 155 H ILE 26 H ILE 26 4.623 -5.635 4.655 156 HA ILE 26 HA ILE 26 2.323 -7.261 5.270 157 HB ILE 26 HB ILE 26 3.982 -6.258 7.457 158 HG12 ILE 26 2HG1 ILE 26 1.448 -7.754 7.925 159 HG13 ILE 26 1HG1 ILE 26 2.681 -8.542 6.944 160 HG21 ILE 26 1HG2 ILE 26 2.395 -4.363 7.508 161 HG22 ILE 26 2HG2 ILE 26 2.173 -5.411 8.908 162 HG23 ILE 26 3HG2 ILE 26 1.040 -5.493 7.560 163 HD11 ILE 26 3HD1 ILE 26 3.342 -7.287 9.616 164 HD12 ILE 26 1HD1 ILE 26 4.274 -8.477 8.704 165 HD13 ILE 26 2HD1 ILE 26 2.767 -8.949 9.486 166 H CYS 27 H CYS 27 0.354 -5.821 5.645 167 HA CYS 27 HA CYS 27 0.573 -3.369 3.999 168 HB2 CYS 27 2HB CYS 27 -1.245 -4.964 3.703 169 HB3 CYS 27 1HB CYS 27 -1.716 -4.767 5.388 170 H ALA 28 H ALA 28 0.286 -1.291 4.758 171 HA ALA 28 HA ALA 28 -0.150 -0.884 7.689 172 HB1 ALA 28 3HB ALA 28 1.744 1.016 6.819 173 HB2 ALA 28 1HB ALA 28 2.256 -0.513 6.098 174 HB3 ALA 28 2HB ALA 28 2.051 -0.384 7.847 175 HA HYP 29 HA HYP 29 -2.882 2.302 6.361 176 HB2 HYP 29 1HB HYP 29 -2.809 3.915 8.575 177 HB3 HYP 29 2HB HYP 29 -3.668 2.365 8.522 178 HG HYP 29 HG HYP 29 -0.994 3.010 9.643 179 HD22 HYP 29 1HD HYP 29 -1.631 0.170 8.994 180 HD23 HYP 29 2HD HYP 29 -0.066 1.010 9.036 181 HD1 HYP 29 HOD HYP 29 -1.964 1.287 11.148 182 H SER 30 H SER 30 -2.907 4.790 6.101 183 HA SER 30 HA SER 30 -0.295 5.644 5.033 184 HB2 SER 30 2HB SER 30 -1.796 7.606 4.323 185 HB3 SER 30 1HB SER 30 -2.215 6.019 3.683 186 HG SER 30 HG SER 30 -4.025 6.092 4.766 187 H THR 31 H THR 31 -1.945 6.001 8.014 188 HA THR 31 HA THR 31 -0.993 8.695 8.643 189 HB THR 31 HB THR 31 -2.151 6.427 10.323 190 HG1 THR 31 HG1 THR 31 -3.564 7.288 8.738 191 HG21 THR 31 3HG2 THR 31 -1.490 9.300 10.951 192 HG22 THR 31 1HG2 THR 31 -1.057 7.851 11.860 193 HG23 THR 31 2HG2 THR 31 -2.727 8.418 11.848 194 H ASN 32 H ASN 32 1.294 8.403 8.177 195 HA ASN 32 HA ASN 32 2.762 6.893 10.320 196 HB2 ASN 32 2HB ASN 32 2.828 6.761 7.412 197 HB3 ASN 32 1HB ASN 32 4.421 7.147 8.064 198 HD21 ASN 32 1HD2 ASN 32 1.708 4.938 9.039 199 HD22 ASN 32 2HD2 ASN 32 2.725 3.612 9.329 200 H TRP 33 H TRP 33 5.244 7.846 10.188 201 HA TRP 33 HA TRP 33 5.066 10.810 9.948 202 HB2 TRP 33 2HB TRP 33 6.446 10.708 12.229 203 HB3 TRP 33 1HB TRP 33 4.691 10.706 12.223 204 HD1 TRP 33 HD1 TRP 33 3.730 7.932 11.976 205 HE1 TRP 33 HE1 TRP 33 4.456 5.994 13.510 206 HE3 TRP 33 HE3 TRP 33 8.101 9.857 13.811 207 HZ2 TRP 33 HZ2 TRP 33 6.576 5.335 15.285 208 HZ3 TRP 33 HZ3 TRP 33 9.473 8.547 15.439 209 HH2 TRP 33 HH2 TRP 33 8.706 6.275 16.183 210 H ILE 34 H ILE 34 7.610 8.603 11.211 211 HA ILE 34 HA ILE 34 9.477 9.896 9.267 212 HB ILE 34 HB ILE 34 11.212 9.143 10.836 213 HG12 ILE 34 2HG1 ILE 34 9.893 8.204 13.084 214 HG13 ILE 34 1HG1 ILE 34 9.031 7.403 11.773 215 HG21 ILE 34 1HG2 ILE 34 8.811 10.527 12.022 216 HG22 ILE 34 2HG2 ILE 34 10.321 11.239 11.454 217 HG23 ILE 34 3HG2 ILE 34 10.296 10.294 12.943 218 HD11 ILE 34 3HD1 ILE 34 11.682 7.162 11.004 219 HD12 ILE 34 1HD1 ILE 34 10.722 5.904 11.785 220 HD13 ILE 34 2HD1 ILE 34 11.758 6.953 12.753 221 H LEU 35 H LEU 35 7.594 7.245 9.155 222 HA LEU 35 HA LEU 35 9.686 5.315 8.283 223 HB2 LEU 35 2HB LEU 35 6.772 5.259 9.023 224 HB3 LEU 35 1HB LEU 35 7.441 3.936 8.066 225 HG LEU 35 HG LEU 35 9.256 4.543 10.223 226 HD11 LEU 35 1HD1 LEU 35 7.591 3.693 12.019 227 HD12 LEU 35 2HD1 LEU 35 6.336 4.258 10.916 228 HD13 LEU 35 3HD1 LEU 35 7.518 5.395 11.570 229 HD21 LEU 35 3HD2 LEU 35 7.467 2.182 9.558 230 HD22 LEU 35 1HD2 LEU 35 8.743 2.141 10.775 231 HD23 LEU 35 2HD2 LEU 35 9.150 2.391 9.077 232 HA PRO 36 HA PRO 36 8.586 6.820 4.153 233 HB2 PRO 36 2HB PRO 36 10.914 6.032 2.961 234 HB3 PRO 36 1HB PRO 36 10.775 7.533 3.897 235 HG2 PRO 36 2HG PRO 36 12.039 4.964 4.622 236 HG3 PRO 36 1HG PRO 36 12.432 6.606 5.146 237 HD2 PRO 36 2HD PRO 36 11.013 4.687 6.617 238 HD3 PRO 36 1HD PRO 36 11.124 6.420 6.985 239 H GLY 37 H GLY 37 8.261 5.627 2.061 240 HA2 GLY 37 2HA GLY 37 8.856 2.983 1.464 241 HA3 GLY 37 1HA GLY 37 7.460 2.858 2.532 242 H CYS 38 H CYS 38 5.940 5.053 1.720 243 HA CYS 38 HA CYS 38 5.161 4.152 -1.020 244 HB2 CYS 38 2HB CYS 38 3.577 5.871 0.902 245 HB3 CYS 38 1HB CYS 38 2.968 4.859 -0.407 246 H SER 39 H SER 39 6.146 5.453 -2.559 247 HA SER 39 HA SER 39 5.906 8.426 -2.212 248 HB2 SER 39 2HB SER 39 8.098 8.228 -3.737 249 HB3 SER 39 1HB SER 39 8.199 8.112 -1.983 250 HG SER 39 HG SER 39 8.205 6.047 -3.926 251 H THR 40 H THR 40 3.800 7.688 -3.439 252 HA THR 40 HA THR 40 4.232 7.072 -6.305 253 HB THR 40 HB THR 40 1.595 7.233 -6.086 254 HG1 THR 40 HG1 THR 40 1.495 8.141 -4.068 255 HG21 THR 40 3HG2 THR 40 1.684 4.899 -4.970 256 HG22 THR 40 1HG2 THR 40 3.433 5.127 -4.955 257 HG23 THR 40 2HG2 THR 40 2.557 5.116 -6.487 258 H SER 41 H SER 41 4.224 8.621 -7.858 259 HA SER 41 HA SER 41 2.787 11.195 -7.424 260 HB2 SER 41 2HB SER 41 5.669 10.739 -7.356 261 HB3 SER 41 1HB SER 41 5.236 11.859 -8.645 262 HG SER 41 HG SER 41 4.405 12.033 -5.924 263 H SER 42 H SER 42 1.903 11.948 -9.365 264 HA SER 42 HA SER 42 1.947 10.157 -11.676 265 HB2 SER 42 2HB SER 42 0.712 12.868 -11.097 266 HB3 SER 42 1HB SER 42 0.433 11.981 -12.591 267 HG SER 42 HG SER 42 0.059 10.561 -10.219 268 H PHE 43 H PHE 43 3.275 10.342 -13.448 269 HA PHE 43 HA PHE 43 5.388 12.335 -13.548 270 HB2 PHE 43 2HB PHE 43 4.358 10.179 -15.410 271 HB3 PHE 43 1HB PHE 43 5.715 11.216 -15.850 272 HD1 PHE 43 HD1 PHE 43 7.648 11.412 -14.070 273 HD2 PHE 43 HD2 PHE 43 4.766 8.224 -14.172 274 HE1 PHE 43 HE1 PHE 43 9.177 9.982 -12.739 275 HE2 PHE 43 HE2 PHE 43 6.297 6.798 -12.843 276 HZ PHE 43 HZ PHE 43 8.504 7.676 -12.128 277 H PHE 44 H PHE 44 2.189 12.077 -14.885 278 HA PHE 44 HA PHE 44 2.454 14.811 -16.021 279 HB2 PHE 44 2HB PHE 44 2.364 12.312 -17.488 280 HB3 PHE 44 1HB PHE 44 0.932 13.267 -17.863 281 HD1 PHE 44 HD1 PHE 44 1.869 16.030 -17.706 282 HD2 PHE 44 HD2 PHE 44 3.868 12.561 -19.272 283 HE1 PHE 44 HE1 PHE 44 3.247 17.482 -19.168 284 HE2 PHE 44 HE2 PHE 44 5.244 14.018 -20.734 285 HZ PHE 44 HZ PHE 44 4.935 16.478 -20.679 286 H LYS 45 H LYS 45 -0.084 14.960 -17.155 287 HA LYS 45 HA LYS 45 -1.813 14.922 -14.766 288 HB2 LYS 45 2HB LYS 45 -3.177 16.387 -16.035 289 HB3 LYS 45 1HB LYS 45 -1.545 16.772 -16.575 290 HG2 LYS 45 2HG LYS 45 -2.158 14.789 -18.326 291 HG3 LYS 45 1HG LYS 45 -3.769 15.455 -18.041 292 HD2 LYS 45 2HD LYS 45 -3.226 17.525 -18.924 293 HD3 LYS 45 1HD LYS 45 -1.515 17.363 -18.523 294 HE2 LYS 45 2HE LYS 45 -1.247 15.670 -20.316 295 HE3 LYS 45 1HE LYS 45 -2.963 15.840 -20.727 296 HZ1 LYS 45 3HZ LYS 45 -2.615 18.177 -21.193 297 HZ2 LYS 45 1HZ LYS 45 -1.533 17.259 -22.116 298 HZ3 LYS 45 2HZ LYS 45 -0.982 18.074 -20.736 299 H ILE 46 H ILE 46 -4.316 14.514 -16.051 300 HA ILE 46 HA ILE 46 -4.365 11.572 -16.229 301 HB ILE 46 HB ILE 46 -6.527 13.709 -16.376 302 HG12 ILE 46 2HG1 ILE 46 -5.281 13.672 -14.226 303 HG13 ILE 46 1HG1 ILE 46 -6.940 13.117 -14.012 304 HG21 ILE 46 1HG2 ILE 46 -7.896 12.014 -16.965 305 HG22 ILE 46 2HG2 ILE 46 -7.565 11.275 -15.398 306 HG23 ILE 46 3HG2 ILE 46 -6.590 10.841 -16.801 307 HD11 ILE 46 3HD1 ILE 46 -4.387 11.554 -13.910 308 HD12 ILE 46 1HD1 ILE 46 -5.844 10.740 -14.478 309 HD13 ILE 46 2HD1 ILE 46 -5.804 11.452 -12.865 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -17.597 2.880 2.926 2 H2 GLY 1 2H GLY 1 -18.726 3.003 1.670 3 H3 GLY 1 3H GLY 1 -17.935 4.392 2.243 4 HA2 GLY 1 2HA GLY 1 -16.516 4.107 0.565 5 HA3 GLY 1 1HA GLY 1 -15.856 2.809 1.556 6 HA HYP 2 HA HYP 2 -18.631 1.119 -2.025 7 HB2 HYP 2 1HB HYP 2 -17.838 2.191 -4.407 8 HB3 HYP 2 2HB HYP 2 -19.159 2.868 -3.435 9 HG HYP 2 HG HYP 2 -16.330 3.750 -3.671 10 HD22 HYP 2 1HD HYP 2 -17.824 4.623 -1.269 11 HD23 HYP 2 2HD HYP 2 -16.094 4.281 -1.478 12 HD1 HYP 2 HOD HYP 2 -17.870 5.048 -4.679 13 H SER 3 H SER 3 -15.268 2.175 -2.682 14 HA SER 3 HA SER 3 -14.568 -0.267 -4.101 15 HB2 SER 3 2HB SER 3 -12.218 0.968 -3.311 16 HB3 SER 3 1HB SER 3 -13.115 1.345 -4.778 17 HG SER 3 HG SER 3 -12.860 3.252 -3.664 18 H PHE 4 H PHE 4 -14.012 -2.182 -3.163 19 HA PHE 4 HA PHE 4 -13.584 -2.345 -0.240 20 HB2 PHE 4 2HB PHE 4 -14.284 -4.120 -2.509 21 HB3 PHE 4 1HB PHE 4 -13.303 -4.877 -1.257 22 HD1 PHE 4 HD1 PHE 4 -14.085 -4.720 1.177 23 HD2 PHE 4 HD2 PHE 4 -16.600 -3.719 -2.163 24 HE1 PHE 4 HE1 PHE 4 -16.092 -4.948 2.616 25 HE2 PHE 4 HE2 PHE 4 -18.604 -3.946 -0.722 26 HZ PHE 4 HZ PHE 4 -18.351 -4.562 1.666 27 H CYS 5 H CYS 5 -11.462 -1.421 0.019 28 HA CYS 5 HA CYS 5 -9.218 -2.538 -1.564 29 HB2 CYS 5 2HB CYS 5 -7.965 -0.747 -0.528 30 HB3 CYS 5 1HB CYS 5 -9.536 -0.090 -0.981 31 H LYS 6 H LYS 6 -7.179 -3.105 -0.213 32 HA LYS 6 HA LYS 6 -7.879 -5.223 1.683 33 HB2 LYS 6 2HB LYS 6 -5.950 -4.911 -0.163 34 HB3 LYS 6 1HB LYS 6 -5.079 -4.252 1.218 35 HG2 LYS 6 2HG LYS 6 -4.525 -6.498 1.414 36 HG3 LYS 6 1HG LYS 6 -5.972 -6.438 2.418 37 HD2 LYS 6 2HD LYS 6 -6.857 -8.040 1.096 38 HD3 LYS 6 1HD LYS 6 -6.932 -6.837 -0.191 39 HE2 LYS 6 2HE LYS 6 -4.252 -7.650 -0.213 40 HE3 LYS 6 1HE LYS 6 -5.158 -9.152 0.057 41 HZ1 LYS 6 3HZ LYS 6 -4.918 -8.443 -2.336 42 HZ2 LYS 6 1HZ LYS 6 -5.940 -7.134 -1.984 43 HZ3 LYS 6 2HZ LYS 6 -6.510 -8.735 -1.824 44 H ALA 7 H ALA 7 -7.507 -5.139 3.904 45 HA ALA 7 HA ALA 7 -7.216 -2.454 5.114 46 HB1 ALA 7 3HB ALA 7 -8.868 -4.512 5.611 47 HB2 ALA 7 1HB ALA 7 -8.367 -3.398 6.884 48 HB3 ALA 7 2HB ALA 7 -7.561 -4.956 6.707 49 H ASP 8 H ASP 8 -5.951 -2.604 7.343 50 HA ASP 8 HA ASP 8 -3.172 -2.842 6.799 51 HB2 ASP 8 2HB ASP 8 -4.693 -2.949 9.430 52 HB3 ASP 8 1HB ASP 8 -2.973 -2.610 9.271 53 H GLU 9 H GLU 9 -1.677 -4.346 8.085 54 HA GLU 9 HA GLU 9 -0.959 -6.485 8.798 55 HB2 GLU 9 2HB GLU 9 -3.430 -6.299 9.777 56 HB3 GLU 9 1HB GLU 9 -3.742 -7.555 8.582 57 HG2 GLU 9 2HG GLU 9 -1.668 -8.743 9.564 58 HG3 GLU 9 1HG GLU 9 -1.836 -7.627 10.920 59 H LYS 10 H LYS 10 -3.614 -6.877 6.422 60 HA LYS 10 HA LYS 10 -2.168 -9.048 5.060 61 HB2 LYS 10 2HB LYS 10 -4.204 -8.720 3.432 62 HB3 LYS 10 1HB LYS 10 -4.486 -9.371 5.040 63 HG2 LYS 10 2HG LYS 10 -4.611 -6.420 4.850 64 HG3 LYS 10 1HG LYS 10 -5.871 -7.277 3.970 65 HD2 LYS 10 2HD LYS 10 -5.249 -8.134 6.778 66 HD3 LYS 10 1HD LYS 10 -6.202 -6.672 6.531 67 HE2 LYS 10 2HE LYS 10 -8.034 -7.968 6.210 68 HE3 LYS 10 1HE LYS 10 -7.261 -8.665 4.774 69 HZ1 LYS 10 3HZ LYS 10 -6.176 -10.294 6.093 70 HZ2 LYS 10 1HZ LYS 10 -7.798 -10.301 6.586 71 HZ3 LYS 10 2HZ LYS 10 -6.622 -9.535 7.542 72 HA HYP 11 HA HYP 11 -0.033 -5.870 2.703 73 HB2 HYP 11 1HB HYP 11 1.934 -7.517 1.760 74 HB3 HYP 11 2HB HYP 11 1.952 -6.795 3.377 75 HG HYP 11 HG HYP 11 2.067 -8.941 4.037 76 HD22 HYP 11 1HD HYP 11 0.131 -8.647 5.118 77 HD23 HYP 11 2HD HYP 11 -0.567 -9.734 3.905 78 HD1 HYP 11 HOD HYP 11 0.474 -9.843 1.845 79 H CYS 12 H CYS 12 1.121 -6.261 0.316 80 HA CYS 12 HA CYS 12 -0.646 -7.875 -1.441 81 HB2 CYS 12 2HB CYS 12 -1.547 -5.994 -2.576 82 HB3 CYS 12 1HB CYS 12 -1.644 -5.556 -0.871 83 H GLU 13 H GLU 13 0.081 -7.054 -3.899 84 HA GLU 13 HA GLU 13 2.982 -7.628 -4.015 85 HB2 GLU 13 2HB GLU 13 0.672 -8.230 -5.522 86 HB3 GLU 13 1HB GLU 13 1.628 -7.163 -6.550 87 HG2 GLU 13 2HG GLU 13 3.477 -8.620 -6.563 88 HG3 GLU 13 1HG GLU 13 2.935 -9.470 -5.115 89 H TYR 14 H TYR 14 0.745 -5.107 -5.262 90 HA TYR 14 HA TYR 14 3.067 -3.378 -5.952 91 HB2 TYR 14 2HB TYR 14 0.080 -2.937 -6.312 92 HB3 TYR 14 1HB TYR 14 1.373 -2.067 -7.130 93 HD1 TYR 14 HD2 TYR 14 3.015 -3.505 -8.568 94 HD2 TYR 14 HD1 TYR 14 -0.867 -4.828 -7.303 95 HE1 TYR 14 HE2 TYR 14 3.009 -5.200 -10.379 96 HE2 TYR 14 HE1 TYR 14 -0.883 -6.524 -9.119 97 HH TYR 14 HH TYR 14 0.240 -6.792 -11.387 98 H HIS 15 H HIS 15 1.118 -1.017 -5.452 99 HA HIS 15 HA HIS 15 1.283 -0.953 -2.461 100 HB2 HIS 15 2HB HIS 15 2.719 0.595 -4.471 101 HB3 HIS 15 1HB HIS 15 1.802 1.646 -3.393 102 HD1 HIS 15 HD1 HIS 15 4.514 2.159 -2.752 103 HD2 HIS 15 HD2 HIS 15 2.775 -1.363 -1.332 104 HE1 HIS 15 HE1 HIS 15 5.947 1.380 -0.811 105 H ALA 16 H ALA 16 -0.981 -1.282 -4.525 106 HA ALA 16 HA ALA 16 -2.640 1.041 -3.593 107 HB1 ALA 16 3HB ALA 16 -1.902 0.966 -6.045 108 HB2 ALA 16 1HB ALA 16 -3.638 1.101 -5.765 109 HB3 ALA 16 2HB ALA 16 -2.935 -0.454 -6.207 110 H ASP 17 H ASP 17 -2.256 -2.273 -3.334 111 HA ASP 17 HA ASP 17 -4.939 -3.290 -3.567 112 HB2 ASP 17 2HB ASP 17 -2.567 -4.407 -3.311 113 HB3 ASP 17 1HB ASP 17 -2.882 -4.250 -1.586 114 H CYS 18 H CYS 18 -3.083 -1.934 -0.855 115 HA CYS 18 HA CYS 18 -5.371 -2.135 1.009 116 HB2 CYS 18 2HB CYS 18 -2.474 -1.413 1.063 117 HB3 CYS 18 1HB CYS 18 -3.500 -0.747 2.331 118 H CYS 19 H CYS 19 -6.385 -0.233 1.927 119 HA CYS 19 HA CYS 19 -6.879 1.945 0.146 120 HB2 CYS 19 2HB CYS 19 -7.374 1.261 2.991 121 HB3 CYS 19 1HB CYS 19 -7.488 2.971 2.580 122 H ASN 20 H ASN 20 -4.068 1.343 2.032 123 HA ASN 20 HA ASN 20 -3.168 4.154 1.559 124 HB2 ASN 20 2HB ASN 20 -2.079 2.821 3.972 125 HB3 ASN 20 1HB ASN 20 -2.605 4.482 3.749 126 HD21 ASN 20 1HD2 ASN 20 -5.213 4.538 3.374 127 HD22 ASN 20 2HD2 ASN 20 -6.074 3.616 4.502 128 H CYS 21 H CYS 21 -1.664 1.222 3.001 129 HA CYS 21 HA CYS 21 0.188 1.035 0.660 130 HB2 CYS 21 2HB CYS 21 0.807 1.954 3.438 131 HB3 CYS 21 1HB CYS 21 2.002 0.929 2.646 132 H CYS 22 H CYS 22 1.165 -1.063 0.474 133 HA CYS 22 HA CYS 22 0.700 -3.020 2.644 134 HB2 CYS 22 2HB CYS 22 -0.280 -4.589 0.825 135 HB3 CYS 22 1HB CYS 22 -1.326 -3.329 1.468 136 H LEU 23 H LEU 23 3.053 -2.973 2.735 137 HA LEU 23 HA LEU 23 4.610 -3.732 0.361 138 HB2 LEU 23 2HB LEU 23 5.099 -3.203 3.286 139 HB3 LEU 23 1HB LEU 23 6.362 -3.969 2.323 140 HG LEU 23 HG LEU 23 5.016 -1.468 1.318 141 HD11 LEU 23 1HD1 LEU 23 7.142 -0.355 2.380 142 HD12 LEU 23 2HD1 LEU 23 7.088 -1.730 3.483 143 HD13 LEU 23 3HD1 LEU 23 5.717 -0.625 3.384 144 HD21 LEU 23 3HD2 LEU 23 7.351 -1.206 0.334 145 HD22 LEU 23 1HD2 LEU 23 6.435 -2.590 -0.266 146 HD23 LEU 23 2HD2 LEU 23 7.699 -2.825 0.942 147 H SER 24 H SER 24 5.890 -5.749 0.283 148 HA SER 24 HA SER 24 4.484 -8.127 0.505 149 HB2 SER 24 2HB SER 24 7.209 -8.705 1.081 150 HB3 SER 24 1HB SER 24 6.419 -8.733 -0.494 151 HG SER 24 HG SER 24 8.310 -7.238 -0.112 152 H GLY 25 H GLY 25 6.335 -6.535 3.057 153 HA2 GLY 25 2HA GLY 25 6.273 -8.688 4.945 154 HA3 GLY 25 1HA GLY 25 6.477 -6.986 5.356 155 H ILE 26 H ILE 26 4.151 -5.783 4.709 156 HA ILE 26 HA ILE 26 1.753 -7.269 5.344 157 HB ILE 26 HB ILE 26 3.540 -6.464 7.487 158 HG12 ILE 26 2HG1 ILE 26 0.924 -7.681 8.127 159 HG13 ILE 26 1HG1 ILE 26 1.878 -8.553 6.927 160 HG21 ILE 26 1HG2 ILE 26 2.127 -4.421 7.563 161 HG22 ILE 26 2HG2 ILE 26 1.920 -5.429 8.995 162 HG23 ILE 26 3HG2 ILE 26 0.695 -5.438 7.727 163 HD11 ILE 26 3HD1 ILE 26 2.239 -9.059 9.475 164 HD12 ILE 26 1HD1 ILE 26 3.196 -7.578 9.443 165 HD13 ILE 26 2HD1 ILE 26 3.637 -8.936 8.408 166 H CYS 27 H CYS 27 -0.133 -5.752 5.713 167 HA CYS 27 HA CYS 27 0.058 -3.369 4.026 168 HB2 CYS 27 2HB CYS 27 -1.917 -4.865 4.199 169 HB3 CYS 27 1HB CYS 27 -2.137 -4.357 5.864 170 H ALA 28 H ALA 28 -0.097 -1.185 4.706 171 HA ALA 28 HA ALA 28 -0.043 -0.637 7.643 172 HB1 ALA 28 3HB ALA 28 1.913 0.818 5.931 173 HB2 ALA 28 1HB ALA 28 2.258 -0.885 6.228 174 HB3 ALA 28 2HB ALA 28 2.092 0.230 7.584 175 HA HYP 29 HA HYP 29 -2.520 2.852 6.613 176 HB2 HYP 29 1HB HYP 29 -1.584 4.750 8.362 177 HB3 HYP 29 2HB HYP 29 -2.592 3.375 8.864 178 HG HYP 29 HG HYP 29 0.371 3.686 8.966 179 HD22 HYP 29 1HD HYP 29 -0.896 0.991 9.158 180 HD23 HYP 29 2HD HYP 29 0.745 1.443 8.649 181 HD1 HYP 29 HOD HYP 29 -0.134 2.497 11.014 182 H SER 30 H SER 30 -2.381 5.223 5.922 183 HA SER 30 HA SER 30 -0.309 5.580 3.916 184 HB2 SER 30 2HB SER 30 -1.879 7.944 4.652 185 HB3 SER 30 1HB SER 30 -1.833 7.070 3.124 186 HG SER 30 HG SER 30 -3.889 6.973 4.189 187 H THR 31 H THR 31 -0.410 6.297 7.276 188 HA THR 31 HA THR 31 1.244 8.702 7.202 189 HB THR 31 HB THR 31 0.836 6.777 9.513 190 HG1 THR 31 HG1 THR 31 -1.149 7.671 9.827 191 HG21 THR 31 3HG2 THR 31 2.270 8.516 10.163 192 HG22 THR 31 1HG2 THR 31 0.684 9.105 10.673 193 HG23 THR 31 2HG2 THR 31 1.417 9.713 9.190 194 H ASN 32 H ASN 32 2.771 7.470 5.623 195 HA ASN 32 HA ASN 32 4.797 5.868 7.156 196 HB2 ASN 32 2HB ASN 32 3.484 5.678 4.541 197 HB3 ASN 32 1HB ASN 32 5.238 5.560 4.420 198 HD21 ASN 32 1HD2 ASN 32 2.967 4.380 6.980 199 HD22 ASN 32 2HD2 ASN 32 3.494 2.773 6.891 200 H TRP 33 H TRP 33 5.181 8.439 7.647 201 HA TRP 33 HA TRP 33 6.722 9.805 5.575 202 HB2 TRP 33 2HB TRP 33 7.138 11.422 7.579 203 HB3 TRP 33 1HB TRP 33 5.517 11.279 6.926 204 HD1 TRP 33 HD1 TRP 33 6.896 8.547 9.206 205 HE1 TRP 33 HE1 TRP 33 5.582 8.577 11.427 206 HE3 TRP 33 HE3 TRP 33 4.156 12.805 8.546 207 HZ2 TRP 33 HZ2 TRP 33 3.626 10.199 12.745 208 HZ3 TRP 33 HZ3 TRP 33 2.577 13.569 10.297 209 HH2 TRP 33 HH2 TRP 33 2.309 12.273 12.394 210 H ILE 34 H ILE 34 8.224 10.087 8.679 211 HA ILE 34 HA ILE 34 10.814 9.476 7.750 212 HB ILE 34 HB ILE 34 11.357 9.373 10.191 213 HG12 ILE 34 2HG1 ILE 34 8.409 9.804 10.693 214 HG13 ILE 34 1HG1 ILE 34 9.104 8.183 10.693 215 HG21 ILE 34 1HG2 ILE 34 11.233 11.623 10.240 216 HG22 ILE 34 2HG2 ILE 34 9.470 11.597 10.227 217 HG23 ILE 34 3HG2 ILE 34 10.364 11.516 8.709 218 HD11 ILE 34 3HD1 ILE 34 8.998 9.352 12.963 219 HD12 ILE 34 1HD1 ILE 34 10.249 10.435 12.353 220 HD13 ILE 34 2HD1 ILE 34 10.573 8.707 12.499 221 H LEU 35 H LEU 35 8.325 7.219 8.477 222 HA LEU 35 HA LEU 35 10.141 5.022 9.213 223 HB2 LEU 35 2HB LEU 35 7.170 5.259 8.648 224 HB3 LEU 35 1HB LEU 35 7.944 3.750 9.131 225 HG LEU 35 HG LEU 35 8.697 5.979 10.870 226 HD11 LEU 35 1HD1 LEU 35 5.797 5.112 10.952 227 HD12 LEU 35 2HD1 LEU 35 6.325 6.612 10.189 228 HD13 LEU 35 3HD1 LEU 35 6.577 6.365 11.916 229 HD21 LEU 35 3HD2 LEU 35 7.172 3.516 11.679 230 HD22 LEU 35 1HD2 LEU 35 8.467 4.353 12.536 231 HD23 LEU 35 2HD2 LEU 35 8.838 3.367 11.122 232 HA PRO 36 HA PRO 36 10.885 3.912 4.990 233 HB2 PRO 36 2HB PRO 36 11.823 1.372 5.416 234 HB3 PRO 36 1HB PRO 36 12.786 2.832 5.720 235 HG2 PRO 36 2HG PRO 36 11.276 1.128 7.645 236 HG3 PRO 36 1HG PRO 36 12.870 1.883 7.820 237 HD2 PRO 36 2HD PRO 36 10.626 2.907 8.946 238 HD3 PRO 36 1HD PRO 36 11.984 3.924 8.410 239 H GLY 37 H GLY 37 9.143 3.488 3.706 240 HA2 GLY 37 2HA GLY 37 7.938 0.882 3.573 241 HA3 GLY 37 1HA GLY 37 6.848 2.000 4.391 242 H CYS 38 H CYS 38 6.290 4.019 3.177 243 HA CYS 38 HA CYS 38 6.225 3.461 0.228 244 HB2 CYS 38 2HB CYS 38 4.311 4.868 2.106 245 HB3 CYS 38 1HB CYS 38 4.116 4.852 0.353 246 H SER 39 H SER 39 7.491 5.681 2.548 247 HA SER 39 HA SER 39 7.406 8.027 0.772 248 HB2 SER 39 2HB SER 39 7.367 7.908 3.356 249 HB3 SER 39 1HB SER 39 9.103 7.650 3.248 250 HG SER 39 HG SER 39 9.354 9.635 2.387 251 H THR 40 H THR 40 8.542 6.818 -1.052 252 HA THR 40 HA THR 40 11.333 6.035 -0.748 253 HB THR 40 HB THR 40 11.133 6.081 -3.320 254 HG1 THR 40 HG1 THR 40 9.015 6.398 -4.069 255 HG21 THR 40 3HG2 THR 40 8.815 4.526 -2.309 256 HG22 THR 40 1HG2 THR 40 10.353 4.229 -1.500 257 HG23 THR 40 2HG2 THR 40 10.212 3.980 -3.241 258 H SER 41 H SER 41 9.667 9.019 -1.607 259 HA SER 41 HA SER 41 12.323 10.353 -2.025 260 HB2 SER 41 2HB SER 41 10.605 12.058 -3.165 261 HB3 SER 41 1HB SER 41 11.188 10.645 -4.037 262 HG SER 41 HG SER 41 9.277 9.723 -3.856 263 H SER 42 H SER 42 12.753 12.226 -0.809 264 HA SER 42 HA SER 42 10.757 12.871 1.327 265 HB2 SER 42 2HB SER 42 13.057 13.879 2.259 266 HB3 SER 42 1HB SER 42 12.664 12.172 2.439 267 HG SER 42 HG SER 42 14.724 12.369 1.562 268 H PHE 43 H PHE 43 10.337 15.105 1.776 269 HA PHE 43 HA PHE 43 10.785 16.920 -0.523 270 HB2 PHE 43 2HB PHE 43 8.569 16.576 0.657 271 HB3 PHE 43 1HB PHE 43 9.270 17.352 2.077 272 HD1 PHE 43 HD1 PHE 43 9.697 18.173 -1.559 273 HD2 PHE 43 HD2 PHE 43 8.184 19.426 2.264 274 HE1 PHE 43 HE1 PHE 43 9.164 20.405 -2.500 275 HE2 PHE 43 HE2 PHE 43 7.651 21.658 1.320 276 HZ PHE 43 HZ PHE 43 8.143 22.148 -1.060 277 H PHE 44 H PHE 44 13.207 16.943 0.039 278 HA PHE 44 HA PHE 44 13.729 19.104 2.049 279 HB2 PHE 44 2HB PHE 44 14.524 16.359 2.082 280 HB3 PHE 44 1HB PHE 44 15.970 17.324 1.791 281 HD1 PHE 44 HD2 PHE 44 15.642 19.757 3.241 282 HD2 PHE 44 HD1 PHE 44 14.357 15.808 4.349 283 HE1 PHE 44 HE2 PHE 44 15.693 20.414 5.631 284 HE2 PHE 44 HE1 PHE 44 14.407 16.465 6.740 285 HZ PHE 44 HZ PHE 44 15.073 18.769 7.385 286 H LYS 45 H LYS 45 14.098 20.767 0.567 287 HA LYS 45 HA LYS 45 16.275 20.320 -1.456 288 HB2 LYS 45 2HB LYS 45 13.991 20.569 -2.406 289 HB3 LYS 45 1HB LYS 45 13.819 22.109 -1.562 290 HG2 LYS 45 2HG LYS 45 15.928 22.863 -2.810 291 HG3 LYS 45 1HG LYS 45 15.721 21.429 -3.816 292 HD2 LYS 45 2HD LYS 45 14.509 22.954 -5.064 293 HD3 LYS 45 1HD LYS 45 13.233 22.356 -4.009 294 HE2 LYS 45 2HE LYS 45 13.071 24.753 -3.918 295 HE3 LYS 45 1HE LYS 45 13.878 24.279 -2.410 296 HZ1 LYS 45 3HZ LYS 45 14.906 26.066 -4.093 297 HZ2 LYS 45 1HZ LYS 45 15.608 24.658 -4.727 298 HZ3 LYS 45 2HZ LYS 45 15.870 25.087 -3.090 299 H ILE 46 H ILE 46 17.599 22.261 -1.852 300 HA ILE 46 HA ILE 46 18.139 23.780 0.597 301 HB ILE 46 HB ILE 46 19.293 23.975 -2.212 302 HG12 ILE 46 2HG1 ILE 46 19.467 21.691 -1.137 303 HG13 ILE 46 1HG1 ILE 46 21.025 22.449 -1.452 304 HG21 ILE 46 1HG2 ILE 46 19.871 25.935 -0.941 305 HG22 ILE 46 2HG2 ILE 46 21.286 24.880 -0.944 306 HG23 ILE 46 3HG2 ILE 46 20.254 24.965 0.482 307 HD11 ILE 46 3HD1 ILE 46 21.182 23.182 0.870 308 HD12 ILE 46 1HD1 ILE 46 20.912 21.440 0.819 309 HD13 ILE 46 2HD1 ILE 46 19.580 22.526 1.212 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -14.027 7.488 -10.590 2 H2 GLY 1 2H GLY 1 -13.293 7.654 -9.067 3 H3 GLY 1 3H GLY 1 -14.907 8.134 -9.291 4 HA2 GLY 1 2HA GLY 1 -15.691 6.100 -8.939 5 HA3 GLY 1 1HA GLY 1 -14.486 5.402 -10.024 6 HA HYP 2 HA HYP 2 -13.308 5.173 -5.363 7 HB2 HYP 2 1HB HYP 2 -14.826 3.095 -4.433 8 HB3 HYP 2 2HB HYP 2 -15.330 4.791 -4.306 9 HG HYP 2 HG HYP 2 -16.116 2.725 -6.300 10 HD22 HYP 2 1HD HYP 2 -16.523 5.600 -6.949 11 HD23 HYP 2 2HD HYP 2 -16.264 4.210 -8.027 12 HD1 HYP 2 HOD HYP 2 -18.145 3.514 -5.839 13 H SER 3 H SER 3 -12.843 2.683 -4.294 14 HA SER 3 HA SER 3 -12.110 0.722 -6.338 15 HB2 SER 3 2HB SER 3 -9.886 2.162 -4.877 16 HB3 SER 3 1HB SER 3 -9.743 1.067 -6.250 17 HG SER 3 HG SER 3 -10.000 3.680 -6.293 18 H PHE 4 H PHE 4 -13.020 -0.892 -5.023 19 HA PHE 4 HA PHE 4 -13.060 -1.226 -2.288 20 HB2 PHE 4 2HB PHE 4 -13.881 -2.717 -4.231 21 HB3 PHE 4 1HB PHE 4 -12.283 -3.460 -4.172 22 HD1 PHE 4 HD2 PHE 4 -15.244 -2.629 -2.050 23 HD2 PHE 4 HD1 PHE 4 -11.788 -5.124 -2.577 24 HE1 PHE 4 HE2 PHE 4 -15.966 -4.034 -0.137 25 HE2 PHE 4 HE1 PHE 4 -12.511 -6.529 -0.665 26 HZ PHE 4 HZ PHE 4 -14.600 -5.983 0.555 27 H CYS 5 H CYS 5 -11.302 -0.674 -0.997 28 HA CYS 5 HA CYS 5 -8.585 -1.605 -1.746 29 HB2 CYS 5 2HB CYS 5 -7.943 -0.124 0.139 30 HB3 CYS 5 1HB CYS 5 -8.986 0.715 -1.010 31 H LYS 6 H LYS 6 -7.314 -2.882 -0.249 32 HA LYS 6 HA LYS 6 -8.880 -4.899 1.198 33 HB2 LYS 6 2HB LYS 6 -6.650 -4.979 -0.266 34 HB3 LYS 6 1HB LYS 6 -5.897 -4.685 1.300 35 HG2 LYS 6 2HG LYS 6 -6.000 -6.963 1.456 36 HG3 LYS 6 1HG LYS 6 -7.647 -6.629 1.993 37 HD2 LYS 6 2HD LYS 6 -8.511 -7.637 0.175 38 HD3 LYS 6 1HD LYS 6 -7.512 -6.658 -0.900 39 HE2 LYS 6 2HE LYS 6 -6.893 -8.973 -1.264 40 HE3 LYS 6 1HE LYS 6 -5.578 -8.237 -0.327 41 HZ1 LYS 6 3HZ LYS 6 -6.018 -9.998 1.020 42 HZ2 LYS 6 1HZ LYS 6 -7.639 -10.121 0.535 43 HZ3 LYS 6 2HZ LYS 6 -7.175 -8.922 1.644 44 H ALA 7 H ALA 7 -7.399 -5.517 3.406 45 HA ALA 7 HA ALA 7 -7.680 -3.069 5.108 46 HB1 ALA 7 3HB ALA 7 -8.379 -5.917 5.310 47 HB2 ALA 7 1HB ALA 7 -9.068 -4.534 6.159 48 HB3 ALA 7 2HB ALA 7 -7.592 -5.289 6.758 49 H ASP 8 H ASP 8 -6.155 -3.098 7.056 50 HA ASP 8 HA ASP 8 -3.422 -3.144 6.217 51 HB2 ASP 8 2HB ASP 8 -4.648 -3.238 8.991 52 HB3 ASP 8 1HB ASP 8 -3.014 -2.697 8.603 53 H GLU 9 H GLU 9 -1.828 -4.431 7.854 54 HA GLU 9 HA GLU 9 -1.005 -6.519 8.608 55 HB2 GLU 9 2HB GLU 9 -3.764 -7.636 8.142 56 HB3 GLU 9 1HB GLU 9 -2.595 -8.079 9.383 57 HG2 GLU 9 2HG GLU 9 -4.391 -5.670 9.256 58 HG3 GLU 9 1HG GLU 9 -4.131 -6.791 10.590 59 H LYS 10 H LYS 10 -3.436 -6.987 6.035 60 HA LYS 10 HA LYS 10 -1.843 -9.095 4.757 61 HB2 LYS 10 2HB LYS 10 -3.779 -9.067 3.189 62 HB3 LYS 10 1HB LYS 10 -4.303 -9.129 4.872 63 HG2 LYS 10 2HG LYS 10 -3.979 -6.388 4.175 64 HG3 LYS 10 1HG LYS 10 -4.926 -7.154 2.900 65 HD2 LYS 10 2HD LYS 10 -5.517 -7.337 5.869 66 HD3 LYS 10 1HD LYS 10 -6.385 -6.323 4.718 67 HE2 LYS 10 2HE LYS 10 -7.716 -8.073 4.182 68 HE3 LYS 10 1HE LYS 10 -6.290 -9.005 3.680 69 HZ1 LYS 10 3HZ LYS 10 -6.943 -8.616 6.536 70 HZ2 LYS 10 1HZ LYS 10 -5.949 -9.795 5.830 71 HZ3 LYS 10 2HZ LYS 10 -7.635 -9.888 5.649 72 HA HYP 11 HA HYP 11 0.301 -5.783 2.540 73 HB2 HYP 11 1HB HYP 11 2.381 -7.359 1.737 74 HB3 HYP 11 2HB HYP 11 2.281 -6.639 3.355 75 HG HYP 11 HG HYP 11 2.456 -8.805 3.985 76 HD22 HYP 11 1HD HYP 11 0.486 -8.442 5.027 77 HD23 HYP 11 2HD HYP 11 -0.147 -9.627 3.867 78 HD1 HYP 11 HOD HYP 11 1.068 -9.519 1.589 79 H CYS 12 H CYS 12 1.379 -5.964 0.183 80 HA CYS 12 HA CYS 12 -0.198 -7.826 -1.543 81 HB2 CYS 12 2HB CYS 12 -1.265 -6.094 -2.660 82 HB3 CYS 12 1HB CYS 12 -1.126 -5.362 -1.064 83 H GLU 13 H GLU 13 0.579 -6.659 -3.985 84 HA GLU 13 HA GLU 13 3.530 -7.164 -3.963 85 HB2 GLU 13 2HB GLU 13 1.376 -8.219 -5.423 86 HB3 GLU 13 1HB GLU 13 2.186 -7.130 -6.550 87 HG2 GLU 13 2HG GLU 13 4.260 -8.271 -6.329 88 HG3 GLU 13 1HG GLU 13 3.721 -9.134 -4.888 89 H TYR 14 H TYR 14 0.990 -4.928 -4.961 90 HA TYR 14 HA TYR 14 2.973 -3.096 -6.212 91 HB2 TYR 14 2HB TYR 14 -0.039 -2.852 -5.954 92 HB3 TYR 14 1HB TYR 14 1.005 -2.024 -7.111 93 HD1 TYR 14 HD1 TYR 14 2.789 -4.128 -8.058 94 HD2 TYR 14 HD2 TYR 14 -1.414 -4.301 -7.182 95 HE1 TYR 14 HE1 TYR 14 2.537 -6.023 -9.637 96 HE2 TYR 14 HE2 TYR 14 -1.665 -6.197 -8.760 97 HH TYR 14 HH TYR 14 -0.386 -7.882 -9.825 98 H HIS 15 H HIS 15 0.346 -1.372 -5.017 99 HA HIS 15 HA HIS 15 1.369 -0.869 -2.308 100 HB2 HIS 15 2HB HIS 15 2.539 0.421 -4.502 101 HB3 HIS 15 1HB HIS 15 1.432 1.614 -3.825 102 HD1 HIS 15 HD1 HIS 15 3.667 2.895 -3.061 103 HD2 HIS 15 HD2 HIS 15 2.929 -0.738 -1.154 104 HE1 HIS 15 HE1 HIS 15 5.132 2.861 -0.997 105 H ALA 16 H ALA 16 -1.221 -1.347 -4.011 106 HA ALA 16 HA ALA 16 -2.800 0.809 -2.656 107 HB1 ALA 16 3HB ALA 16 -2.992 -0.199 -5.510 108 HB2 ALA 16 1HB ALA 16 -2.505 1.415 -4.992 109 HB3 ALA 16 2HB ALA 16 -4.171 0.881 -4.765 110 H ASP 17 H ASP 17 -2.269 -2.444 -2.902 111 HA ASP 17 HA ASP 17 -4.724 -3.734 -3.245 112 HB2 ASP 17 2HB ASP 17 -2.482 -4.743 -2.786 113 HB3 ASP 17 1HB ASP 17 -2.643 -4.255 -1.099 114 H CYS 18 H CYS 18 -3.478 -2.281 -0.216 115 HA CYS 18 HA CYS 18 -6.108 -2.657 1.094 116 HB2 CYS 18 2HB CYS 18 -3.423 -1.542 1.957 117 HB3 CYS 18 1HB CYS 18 -4.812 -1.693 3.032 118 H CYS 19 H CYS 19 -6.623 -0.543 2.551 119 HA CYS 19 HA CYS 19 -7.359 1.552 0.665 120 HB2 CYS 19 2HB CYS 19 -7.469 1.627 3.687 121 HB3 CYS 19 1HB CYS 19 -8.549 2.424 2.545 122 H ASN 20 H ASN 20 -4.389 0.928 1.750 123 HA ASN 20 HA ASN 20 -3.600 3.786 1.722 124 HB2 ASN 20 2HB ASN 20 -2.814 1.887 3.954 125 HB3 ASN 20 1HB ASN 20 -2.475 3.616 3.861 126 HD21 ASN 20 1HD2 ASN 20 -5.139 1.255 4.220 127 HD22 ASN 20 2HD2 ASN 20 -6.225 2.350 4.928 128 H CYS 21 H CYS 21 -1.727 1.027 2.926 129 HA CYS 21 HA CYS 21 -0.192 0.946 0.358 130 HB2 CYS 21 2HB CYS 21 0.670 1.724 3.114 131 HB3 CYS 21 1HB CYS 21 1.807 0.786 2.145 132 H CYS 22 H CYS 22 1.295 -1.020 0.362 133 HA CYS 22 HA CYS 22 0.508 -3.187 2.229 134 HB2 CYS 22 2HB CYS 22 -0.004 -4.607 0.164 135 HB3 CYS 22 1HB CYS 22 -1.176 -3.345 0.525 136 H LEU 23 H LEU 23 2.833 -2.904 2.791 137 HA LEU 23 HA LEU 23 4.878 -3.404 0.758 138 HB2 LEU 23 2HB LEU 23 4.928 -3.308 3.792 139 HB3 LEU 23 1HB LEU 23 6.358 -3.297 2.757 140 HG LEU 23 HG LEU 23 4.147 -1.225 2.653 141 HD11 LEU 23 1HD1 LEU 23 6.406 0.075 3.467 142 HD12 LEU 23 2HD1 LEU 23 6.603 -1.479 4.279 143 HD13 LEU 23 3HD1 LEU 23 5.158 -0.511 4.566 144 HD21 LEU 23 3HD2 LEU 23 5.958 -1.932 0.704 145 HD22 LEU 23 1HD2 LEU 23 6.820 -0.649 1.552 146 HD23 LEU 23 2HD2 LEU 23 5.230 -0.333 0.861 147 H SER 24 H SER 24 6.166 -5.305 0.595 148 HA SER 24 HA SER 24 5.030 -7.805 0.643 149 HB2 SER 24 2HB SER 24 7.277 -7.138 -0.232 150 HB3 SER 24 1HB SER 24 7.882 -7.141 1.421 151 HG SER 24 HG SER 24 8.221 -9.128 0.233 152 H GLY 25 H GLY 25 6.643 -6.240 3.379 153 HA2 GLY 25 2HA GLY 25 6.516 -8.427 5.196 154 HA3 GLY 25 1HA GLY 25 6.569 -6.731 5.677 155 H ILE 26 H ILE 26 4.273 -5.659 4.852 156 HA ILE 26 HA ILE 26 1.912 -7.280 5.163 157 HB ILE 26 HB ILE 26 3.384 -6.451 7.538 158 HG12 ILE 26 2HG1 ILE 26 1.007 -7.883 8.153 159 HG13 ILE 26 1HG1 ILE 26 1.602 -8.509 6.615 160 HG21 ILE 26 1HG2 ILE 26 1.849 -4.541 7.544 161 HG22 ILE 26 2HG2 ILE 26 1.393 -5.671 8.820 162 HG23 ILE 26 3HG2 ILE 26 0.473 -5.620 7.315 163 HD11 ILE 26 3HD1 ILE 26 3.056 -9.738 7.828 164 HD12 ILE 26 1HD1 ILE 26 2.718 -8.819 9.295 165 HD13 ILE 26 2HD1 ILE 26 3.909 -8.227 8.138 166 H CYS 27 H CYS 27 -0.058 -5.827 5.467 167 HA CYS 27 HA CYS 27 0.303 -3.375 3.902 168 HB2 CYS 27 2HB CYS 27 -1.751 -5.252 4.573 169 HB3 CYS 27 1HB CYS 27 -2.316 -3.636 5.000 170 H ALA 28 H ALA 28 0.144 -1.270 4.668 171 HA ALA 28 HA ALA 28 -0.732 -0.710 7.422 172 HB1 ALA 28 3HB ALA 28 1.772 0.430 7.480 173 HB2 ALA 28 1HB ALA 28 2.077 -1.058 6.583 174 HB3 ALA 28 2HB ALA 28 1.373 -1.129 8.200 175 HA HYP 29 HA HYP 29 -1.433 3.299 5.774 176 HB2 HYP 29 1HB HYP 29 -0.568 4.999 7.735 177 HB3 HYP 29 2HB HYP 29 -2.040 4.020 7.888 178 HG HYP 29 HG HYP 29 0.684 3.529 8.976 179 HD22 HYP 29 1HD HYP 29 -1.197 1.239 8.749 180 HD23 HYP 29 2HD HYP 29 0.579 1.268 8.703 181 HD1 HYP 29 HOD HYP 29 -1.436 4.216 10.136 182 H SER 30 H SER 30 -0.062 5.677 5.876 183 HA SER 30 HA SER 30 2.558 4.971 4.616 184 HB2 SER 30 2HB SER 30 0.552 6.189 3.453 185 HB3 SER 30 1HB SER 30 1.102 7.594 4.363 186 HG SER 30 HG SER 30 2.193 6.363 2.178 187 H THR 31 H THR 31 1.013 7.363 6.769 188 HA THR 31 HA THR 31 3.488 7.569 8.349 189 HB THR 31 HB THR 31 4.069 9.049 6.573 190 HG1 THR 31 HG1 THR 31 4.570 10.429 8.053 191 HG21 THR 31 3HG2 THR 31 2.462 9.851 5.226 192 HG22 THR 31 1HG2 THR 31 1.949 10.943 6.511 193 HG23 THR 31 2HG2 THR 31 1.225 9.339 6.375 194 H ASN 32 H ASN 32 0.097 8.163 7.887 195 HA ASN 32 HA ASN 32 -0.227 8.638 10.773 196 HB2 ASN 32 2HB ASN 32 -1.588 10.801 10.022 197 HB3 ASN 32 1HB ASN 32 0.151 10.878 10.304 198 HD21 ASN 32 1HD2 ASN 32 -1.267 9.258 7.472 199 HD22 ASN 32 2HD2 ASN 32 -0.680 10.368 6.333 200 H TRP 33 H TRP 33 -2.612 9.984 8.668 201 HA TRP 33 HA TRP 33 -4.564 7.989 9.518 202 HB2 TRP 33 2HB TRP 33 -6.001 9.466 7.908 203 HB3 TRP 33 1HB TRP 33 -5.395 10.171 9.404 204 HD1 TRP 33 HD1 TRP 33 -2.970 9.609 6.549 205 HE1 TRP 33 HE1 TRP 33 -2.246 11.893 5.596 206 HE3 TRP 33 HE3 TRP 33 -6.218 12.671 9.026 207 HZ2 TRP 33 HZ2 TRP 33 -2.955 14.653 5.844 208 HZ3 TRP 33 HZ3 TRP 33 -6.175 15.120 8.650 209 HH2 TRP 33 HH2 TRP 33 -4.550 16.114 7.063 210 H ILE 34 H ILE 34 -5.058 9.024 6.268 211 HA ILE 34 HA ILE 34 -4.516 6.223 5.356 212 HB ILE 34 HB ILE 34 -6.388 8.095 3.962 213 HG12 ILE 34 2HG1 ILE 34 -6.963 8.442 6.306 214 HG13 ILE 34 1HG1 ILE 34 -8.185 7.405 5.571 215 HG21 ILE 34 1HG2 ILE 34 -5.801 5.658 3.310 216 HG22 ILE 34 2HG2 ILE 34 -7.508 6.100 3.370 217 HG23 ILE 34 3HG2 ILE 34 -6.782 5.197 4.700 218 HD11 ILE 34 3HD1 ILE 34 -7.746 5.802 7.084 219 HD12 ILE 34 1HD1 ILE 34 -6.535 6.844 7.831 220 HD13 ILE 34 2HD1 ILE 34 -6.071 5.739 6.537 221 H LEU 35 H LEU 35 -3.662 9.501 4.846 222 HA LEU 35 HA LEU 35 -3.109 9.861 2.182 223 HB2 LEU 35 2HB LEU 35 -2.470 11.479 3.840 224 HB3 LEU 35 1HB LEU 35 -1.373 10.339 4.618 225 HG LEU 35 HG LEU 35 -0.507 10.416 1.965 226 HD11 LEU 35 1HD1 LEU 35 -1.663 13.020 2.837 227 HD12 LEU 35 2HD1 LEU 35 -1.490 12.357 1.214 228 HD13 LEU 35 3HD1 LEU 35 -0.098 13.072 2.026 229 HD21 LEU 35 3HD2 LEU 35 0.400 11.478 4.605 230 HD22 LEU 35 1HD2 LEU 35 1.254 12.044 3.169 231 HD23 LEU 35 2HD2 LEU 35 1.185 10.319 3.532 232 HA PRO 36 HA PRO 36 -0.796 6.041 1.514 233 HB2 PRO 36 2HB PRO 36 -1.060 6.096 -1.211 234 HB3 PRO 36 1HB PRO 36 -2.330 5.493 -0.126 235 HG2 PRO 36 2HG PRO 36 -2.100 8.128 -1.489 236 HG3 PRO 36 1HG PRO 36 -3.531 7.125 -1.204 237 HD2 PRO 36 2HD PRO 36 -2.913 9.323 0.287 238 HD3 PRO 36 1HD PRO 36 -3.844 7.943 0.911 239 H GLY 37 H GLY 37 0.934 5.719 -0.518 240 HA2 GLY 37 2HA GLY 37 2.743 6.763 -1.757 241 HA3 GLY 37 1HA GLY 37 2.545 8.210 -0.765 242 H CYS 38 H CYS 38 3.422 4.758 -0.444 243 HA CYS 38 HA CYS 38 5.154 5.490 1.882 244 HB2 CYS 38 2HB CYS 38 4.206 2.795 0.855 245 HB3 CYS 38 1HB CYS 38 4.983 3.109 2.405 246 H SER 39 H SER 39 7.196 3.952 1.942 247 HA SER 39 HA SER 39 8.729 4.472 -0.502 248 HB2 SER 39 2HB SER 39 10.485 4.282 0.948 249 HB3 SER 39 1HB SER 39 9.237 4.355 2.188 250 HG SER 39 HG SER 39 10.820 2.276 1.404 251 H THR 40 H THR 40 10.164 2.595 -1.331 252 HA THR 40 HA THR 40 9.220 -0.135 -1.034 253 HB THR 40 HB THR 40 7.328 0.745 -2.267 254 HG1 THR 40 HG1 THR 40 9.122 -0.554 -4.038 255 HG21 THR 40 3HG2 THR 40 7.859 1.744 -4.600 256 HG22 THR 40 1HG2 THR 40 9.483 1.997 -3.959 257 HG23 THR 40 2HG2 THR 40 8.099 2.770 -3.186 258 H SER 41 H SER 41 11.716 0.192 -0.756 259 HA SER 41 HA SER 41 13.534 0.807 -2.773 260 HB2 SER 41 2HB SER 41 14.365 -1.600 -1.456 261 HB3 SER 41 1HB SER 41 14.858 0.054 -1.109 262 HG SER 41 HG SER 41 12.897 -1.536 0.073 263 H SER 42 H SER 42 14.854 -0.886 -4.069 264 HA SER 42 HA SER 42 12.954 -2.485 -5.682 265 HB2 SER 42 2HB SER 42 14.758 -0.864 -6.532 266 HB3 SER 42 1HB SER 42 15.930 -2.091 -6.060 267 HG SER 42 HG SER 42 13.705 -2.568 -7.758 268 H PHE 43 H PHE 43 15.107 -4.327 -6.536 269 HA PHE 43 HA PHE 43 15.439 -5.990 -4.065 270 HB2 PHE 43 2HB PHE 43 13.544 -6.402 -6.004 271 HB3 PHE 43 1HB PHE 43 14.872 -7.394 -6.604 272 HD1 PHE 43 HD2 PHE 43 12.609 -6.803 -3.726 273 HD2 PHE 43 HD1 PHE 43 15.570 -9.389 -5.457 274 HE1 PHE 43 HE2 PHE 43 12.080 -8.540 -2.038 275 HE2 PHE 43 HE1 PHE 43 15.039 -11.126 -3.769 276 HZ PHE 43 HZ PHE 43 13.293 -10.702 -2.059 277 H PHE 44 H PHE 44 16.972 -4.433 -6.541 278 HA PHE 44 HA PHE 44 18.961 -6.537 -7.159 279 HB2 PHE 44 2HB PHE 44 17.998 -4.870 -8.808 280 HB3 PHE 44 1HB PHE 44 18.870 -3.606 -7.939 281 HD1 PHE 44 HD1 PHE 44 19.232 -6.660 -10.000 282 HD2 PHE 44 HD2 PHE 44 21.271 -3.392 -8.100 283 HE1 PHE 44 HE1 PHE 44 21.294 -7.211 -11.264 284 HE2 PHE 44 HE2 PHE 44 23.332 -3.942 -9.365 285 HZ PHE 44 HZ PHE 44 23.344 -5.851 -10.948 286 H LYS 45 H LYS 45 20.650 -6.832 -5.763 287 HA LYS 45 HA LYS 45 21.875 -4.424 -4.482 288 HB2 LYS 45 2HB LYS 45 20.197 -5.643 -3.011 289 HB3 LYS 45 1HB LYS 45 21.279 -7.035 -3.064 290 HG2 LYS 45 2HG LYS 45 22.826 -6.056 -1.697 291 HG3 LYS 45 1HG LYS 45 22.550 -4.449 -2.370 292 HD2 LYS 45 2HD LYS 45 20.755 -5.904 -0.408 293 HD3 LYS 45 1HD LYS 45 21.764 -4.499 -0.060 294 HE2 LYS 45 2HE LYS 45 20.074 -3.145 -0.717 295 HE3 LYS 45 1HE LYS 45 20.134 -3.873 -2.335 296 HZ1 LYS 45 3HZ LYS 45 18.033 -4.465 -1.607 297 HZ2 LYS 45 1HZ LYS 45 18.530 -4.689 0.001 298 HZ3 LYS 45 2HZ LYS 45 18.949 -5.834 -1.184 299 H ILE 46 H ILE 46 24.014 -5.262 -3.319 300 HA ILE 46 HA ILE 46 25.430 -7.008 -5.297 301 HB ILE 46 HB ILE 46 26.237 -4.764 -3.437 302 HG12 ILE 46 2HG1 ILE 46 26.944 -5.021 -6.342 303 HG13 ILE 46 1HG1 ILE 46 25.296 -4.566 -5.905 304 HG21 ILE 46 1HG2 ILE 46 28.561 -5.266 -4.589 305 HG22 ILE 46 2HG2 ILE 46 27.911 -6.901 -4.718 306 HG23 ILE 46 3HG2 ILE 46 28.089 -6.143 -3.135 307 HD11 ILE 46 3HD1 ILE 46 27.854 -3.136 -5.139 308 HD12 ILE 46 1HD1 ILE 46 26.279 -2.755 -4.443 309 HD13 ILE 46 2HD1 ILE 46 26.559 -2.527 -6.169 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -9.280 9.397 -3.659 2 H2 GLY 1 2H GLY 1 -10.062 8.639 -2.359 3 H3 GLY 1 3H GLY 1 -10.786 9.968 -3.133 4 HA2 GLY 1 2HA GLY 1 -11.498 8.764 -4.903 5 HA3 GLY 1 1HA GLY 1 -10.134 7.654 -4.786 6 HA HYP 2 HA HYP 2 -13.670 6.355 -1.784 7 HB2 HYP 2 1HB HYP 2 -16.124 6.515 -2.976 8 HB3 HYP 2 2HB HYP 2 -15.441 7.818 -1.987 9 HG HYP 2 HG HYP 2 -15.579 7.548 -4.938 10 HD22 HYP 2 1HD HYP 2 -13.517 9.385 -3.891 11 HD23 HYP 2 2HD HYP 2 -13.503 8.353 -5.335 12 HD1 HYP 2 HOD HYP 2 -16.002 9.795 -4.729 13 H SER 3 H SER 3 -12.439 4.440 -2.604 14 HA SER 3 HA SER 3 -14.162 2.689 -4.315 15 HB2 SER 3 2HB SER 3 -11.691 1.950 -5.126 16 HB3 SER 3 1HB SER 3 -12.609 3.219 -5.931 17 HG SER 3 HG SER 3 -10.684 3.561 -3.856 18 H PHE 4 H PHE 4 -13.608 0.350 -3.991 19 HA PHE 4 HA PHE 4 -13.222 -0.287 -1.195 20 HB2 PHE 4 2HB PHE 4 -13.305 -2.641 -2.067 21 HB3 PHE 4 1HB PHE 4 -14.633 -1.644 -2.647 22 HD1 PHE 4 HD1 PHE 4 -11.160 -2.716 -3.623 23 HD2 PHE 4 HD2 PHE 4 -15.091 -1.579 -4.945 24 HE1 PHE 4 HE1 PHE 4 -10.522 -3.225 -5.965 25 HE2 PHE 4 HE2 PHE 4 -14.445 -2.091 -7.284 26 HZ PHE 4 HZ PHE 4 -12.166 -2.916 -7.791 27 H CYS 5 H CYS 5 -11.497 -1.940 -0.513 28 HA CYS 5 HA CYS 5 -9.000 -2.172 -1.945 29 HB2 CYS 5 2HB CYS 5 -7.725 -0.544 -0.533 30 HB3 CYS 5 1HB CYS 5 -8.944 0.241 -1.535 31 H LYS 6 H LYS 6 -7.186 -2.791 -0.270 32 HA LYS 6 HA LYS 6 -8.321 -4.778 1.598 33 HB2 LYS 6 2HB LYS 6 -6.443 -5.142 -0.103 34 HB3 LYS 6 1HB LYS 6 -5.433 -4.130 0.923 35 HG2 LYS 6 2HG LYS 6 -5.482 -5.672 2.709 36 HG3 LYS 6 1HG LYS 6 -6.889 -6.517 2.058 37 HD2 LYS 6 2HD LYS 6 -4.437 -6.424 0.357 38 HD3 LYS 6 1HD LYS 6 -4.401 -7.475 1.772 39 HE2 LYS 6 2HE LYS 6 -6.796 -8.226 0.841 40 HE3 LYS 6 1HE LYS 6 -6.098 -7.673 -0.693 41 HZ1 LYS 6 3HZ LYS 6 -5.636 -10.083 0.123 42 HZ2 LYS 6 1HZ LYS 6 -4.476 -9.347 1.116 43 HZ3 LYS 6 2HZ LYS 6 -4.383 -9.179 -0.573 44 H ALA 7 H ALA 7 -7.275 -4.891 3.829 45 HA ALA 7 HA ALA 7 -7.029 -2.134 4.983 46 HB1 ALA 7 3HB ALA 7 -8.412 -2.962 6.570 47 HB2 ALA 7 1HB ALA 7 -7.326 -4.313 6.874 48 HB3 ALA 7 2HB ALA 7 -8.546 -4.432 5.603 49 H ASP 8 H ASP 8 -5.710 -2.348 7.192 50 HA ASP 8 HA ASP 8 -2.948 -2.683 6.560 51 HB2 ASP 8 2HB ASP 8 -4.565 -2.510 9.108 52 HB3 ASP 8 1HB ASP 8 -2.812 -2.661 9.156 53 H GLU 9 H GLU 9 -1.571 -4.198 8.120 54 HA GLU 9 HA GLU 9 -0.907 -6.348 8.793 55 HB2 GLU 9 2HB GLU 9 -2.888 -6.413 10.150 56 HB3 GLU 9 1HB GLU 9 -3.919 -6.671 8.749 57 HG2 GLU 9 2HG GLU 9 -1.956 -8.753 8.774 58 HG3 GLU 9 1HG GLU 9 -2.650 -8.641 10.389 59 H LYS 10 H LYS 10 -3.550 -6.729 6.415 60 HA LYS 10 HA LYS 10 -2.109 -8.929 5.084 61 HB2 LYS 10 2HB LYS 10 -4.192 -8.625 3.486 62 HB3 LYS 10 1HB LYS 10 -4.416 -9.298 5.095 63 HG2 LYS 10 2HG LYS 10 -4.615 -6.335 4.876 64 HG3 LYS 10 1HG LYS 10 -5.908 -7.260 4.114 65 HD2 LYS 10 2HD LYS 10 -5.006 -7.587 6.993 66 HD3 LYS 10 1HD LYS 10 -6.433 -6.692 6.477 67 HE2 LYS 10 2HE LYS 10 -7.388 -8.759 5.508 68 HE3 LYS 10 1HE LYS 10 -5.951 -9.665 6.031 69 HZ1 LYS 10 3HZ LYS 10 -7.847 -8.176 7.776 70 HZ2 LYS 10 1HZ LYS 10 -6.376 -8.839 8.323 71 HZ3 LYS 10 2HZ LYS 10 -7.608 -9.856 7.732 72 HA HYP 11 HA HYP 11 -0.023 -5.771 2.661 73 HB2 HYP 11 1HB HYP 11 1.926 -7.424 1.742 74 HB3 HYP 11 2HB HYP 11 1.950 -6.693 3.352 75 HG HYP 11 HG HYP 11 2.082 -8.840 4.016 76 HD22 HYP 11 1HD HYP 11 0.173 -8.490 5.122 77 HD23 HYP 11 2HD HYP 11 -0.551 -9.606 3.953 78 HD1 HYP 11 HOD HYP 11 2.044 -9.661 1.763 79 H CYS 12 H CYS 12 1.128 -6.169 0.282 80 HA CYS 12 HA CYS 12 -0.627 -7.842 -1.440 81 HB2 CYS 12 2HB CYS 12 -1.642 -6.063 -2.521 82 HB3 CYS 12 1HB CYS 12 -1.451 -5.354 -0.920 83 H GLU 13 H GLU 13 0.130 -7.174 -3.887 84 HA GLU 13 HA GLU 13 3.010 -7.788 -3.996 85 HB2 GLU 13 2HB GLU 13 1.242 -8.927 -5.347 86 HB3 GLU 13 1HB GLU 13 0.909 -7.395 -6.154 87 HG2 GLU 13 2HG GLU 13 3.101 -7.335 -7.129 88 HG3 GLU 13 1HG GLU 13 3.645 -8.695 -6.145 89 H TYR 14 H TYR 14 0.817 -5.211 -5.190 90 HA TYR 14 HA TYR 14 3.164 -3.549 -5.961 91 HB2 TYR 14 2HB TYR 14 0.192 -3.034 -6.336 92 HB3 TYR 14 1HB TYR 14 1.524 -2.283 -7.217 93 HD1 TYR 14 HD2 TYR 14 3.157 -3.982 -8.440 94 HD2 TYR 14 HD1 TYR 14 -0.891 -4.861 -7.294 95 HE1 TYR 14 HE2 TYR 14 3.082 -5.820 -10.098 96 HE2 TYR 14 HE1 TYR 14 -0.962 -6.700 -8.954 97 HH TYR 14 HH TYR 14 1.055 -8.236 -10.054 98 H HIS 15 H HIS 15 1.084 -1.209 -5.482 99 HA HIS 15 HA HIS 15 1.502 -0.986 -2.523 100 HB2 HIS 15 2HB HIS 15 2.564 0.587 -4.769 101 HB3 HIS 15 1HB HIS 15 1.802 1.579 -3.532 102 HD1 HIS 15 HD1 HIS 15 2.669 -0.520 -1.178 103 HD2 HIS 15 HD2 HIS 15 5.172 1.350 -3.939 104 HE1 HIS 15 HE1 HIS 15 4.971 -0.431 -0.121 105 H ALA 16 H ALA 16 -0.909 -1.218 -4.712 106 HA ALA 16 HA ALA 16 -2.524 0.980 -3.423 107 HB1 ALA 16 3HB ALA 16 -2.580 -0.229 -6.199 108 HB2 ALA 16 1HB ALA 16 -2.126 1.417 -5.756 109 HB3 ALA 16 2HB ALA 16 -3.803 0.895 -5.607 110 H ASP 17 H ASP 17 -2.191 -2.265 -3.125 111 HA ASP 17 HA ASP 17 -4.856 -3.265 -3.553 112 HB2 ASP 17 2HB ASP 17 -2.418 -4.306 -2.943 113 HB3 ASP 17 1HB ASP 17 -3.200 -4.386 -1.362 114 H CYS 18 H CYS 18 -3.209 -1.914 -0.691 115 HA CYS 18 HA CYS 18 -5.736 -2.025 0.884 116 HB2 CYS 18 2HB CYS 18 -2.836 -1.371 1.437 117 HB3 CYS 18 1HB CYS 18 -4.085 -1.007 2.626 118 H CYS 19 H CYS 19 -6.383 0.049 2.036 119 HA CYS 19 HA CYS 19 -6.448 2.284 0.135 120 HB2 CYS 19 2HB CYS 19 -7.715 1.469 2.685 121 HB3 CYS 19 1HB CYS 19 -7.574 3.208 2.437 122 H ASN 20 H ASN 20 -3.776 1.591 1.261 123 HA ASN 20 HA ASN 20 -2.916 4.267 2.068 124 HB2 ASN 20 2HB ASN 20 -1.865 2.866 4.181 125 HB3 ASN 20 1HB ASN 20 -3.362 3.791 4.274 126 HD21 ASN 20 1HD2 ASN 20 -5.260 2.607 4.770 127 HD22 ASN 20 2HD2 ASN 20 -5.366 0.915 4.727 128 H CYS 21 H CYS 21 -1.433 1.154 2.958 129 HA CYS 21 HA CYS 21 0.425 1.235 0.644 130 HB2 CYS 21 2HB CYS 21 1.036 1.967 3.481 131 HB3 CYS 21 1HB CYS 21 2.245 1.019 2.620 132 H CYS 22 H CYS 22 0.868 -0.921 0.076 133 HA CYS 22 HA CYS 22 0.439 -2.995 2.201 134 HB2 CYS 22 2HB CYS 22 -0.427 -4.404 0.300 135 HB3 CYS 22 1HB CYS 22 -1.416 -2.998 0.666 136 H LEU 23 H LEU 23 2.834 -2.876 2.531 137 HA LEU 23 HA LEU 23 4.590 -3.639 0.301 138 HB2 LEU 23 2HB LEU 23 4.816 -3.158 3.268 139 HB3 LEU 23 1HB LEU 23 6.156 -3.925 2.417 140 HG LEU 23 HG LEU 23 4.910 -1.331 1.475 141 HD11 LEU 23 1HD1 LEU 23 6.837 -0.202 2.557 142 HD12 LEU 23 2HD1 LEU 23 7.310 -1.736 3.287 143 HD13 LEU 23 3HD1 LEU 23 5.784 -0.979 3.742 144 HD21 LEU 23 3HD2 LEU 23 7.219 -1.147 0.409 145 HD22 LEU 23 1HD2 LEU 23 6.190 -2.428 -0.236 146 HD23 LEU 23 2HD2 LEU 23 7.484 -2.822 0.897 147 H SER 24 H SER 24 5.521 -5.693 -0.009 148 HA SER 24 HA SER 24 4.123 -8.029 0.257 149 HB2 SER 24 2HB SER 24 6.467 -7.459 -0.768 150 HB3 SER 24 1HB SER 24 7.089 -8.034 0.776 151 HG SER 24 HG SER 24 6.910 -9.922 -0.143 152 H GLY 25 H GLY 25 6.247 -6.713 2.781 153 HA2 GLY 25 2HA GLY 25 6.060 -8.898 4.598 154 HA3 GLY 25 1HA GLY 25 6.423 -7.236 5.061 155 H ILE 26 H ILE 26 4.153 -5.847 4.547 156 HA ILE 26 HA ILE 26 1.714 -7.221 5.361 157 HB ILE 26 HB ILE 26 3.665 -6.309 7.328 158 HG12 ILE 26 2HG1 ILE 26 1.008 -7.502 8.022 159 HG13 ILE 26 1HG1 ILE 26 2.154 -8.460 7.085 160 HG21 ILE 26 1HG2 ILE 26 2.129 -5.159 8.860 161 HG22 ILE 26 2HG2 ILE 26 0.854 -5.214 7.643 162 HG23 ILE 26 3HG2 ILE 26 2.302 -4.247 7.360 163 HD11 ILE 26 3HD1 ILE 26 2.344 -8.747 9.590 164 HD12 ILE 26 1HD1 ILE 26 2.879 -7.069 9.672 165 HD13 ILE 26 2HD1 ILE 26 3.837 -8.259 8.790 166 H CYS 27 H CYS 27 -0.110 -5.630 5.627 167 HA CYS 27 HA CYS 27 0.323 -3.237 3.936 168 HB2 CYS 27 2HB CYS 27 -1.887 -4.935 4.758 169 HB3 CYS 27 1HB CYS 27 -2.294 -3.230 4.940 170 H ALA 28 H ALA 28 0.317 -1.132 4.673 171 HA ALA 28 HA ALA 28 -0.120 -0.676 7.599 172 HB1 ALA 28 3HB ALA 28 2.319 -0.765 6.303 173 HB2 ALA 28 1HB ALA 28 2.022 0.078 7.822 174 HB3 ALA 28 2HB ALA 28 1.958 0.961 6.294 175 HA HYP 29 HA HYP 29 -2.559 2.677 6.112 176 HB2 HYP 29 1HB HYP 29 -2.637 4.230 8.358 177 HB3 HYP 29 2HB HYP 29 -3.547 2.717 8.184 178 HG HYP 29 HG HYP 29 -1.028 3.261 9.638 179 HD22 HYP 29 1HD HYP 29 -1.399 0.452 8.866 180 HD23 HYP 29 2HD HYP 29 0.079 1.429 8.948 181 HD1 HYP 29 HOD HYP 29 -3.037 1.261 10.063 182 H SER 30 H SER 30 -2.427 5.121 5.804 183 HA SER 30 HA SER 30 0.088 5.955 4.779 184 HB2 SER 30 2HB SER 30 -2.005 7.880 5.758 185 HB3 SER 30 1HB SER 30 -1.065 7.927 4.267 186 HG SER 30 HG SER 30 -2.503 6.663 3.345 187 H THR 31 H THR 31 -1.320 6.399 8.011 188 HA THR 31 HA THR 31 0.762 8.279 8.850 189 HB THR 31 HB THR 31 -1.586 8.289 9.679 190 HG1 THR 31 HG1 THR 31 -0.721 9.164 11.352 191 HG21 THR 31 3HG2 THR 31 -1.191 5.530 9.960 192 HG22 THR 31 1HG2 THR 31 -2.601 6.449 10.490 193 HG23 THR 31 2HG2 THR 31 -1.270 6.140 11.608 194 H ASN 32 H ASN 32 2.607 6.851 8.219 195 HA ASN 32 HA ASN 32 3.050 4.513 10.002 196 HB2 ASN 32 2HB ASN 32 4.405 5.587 7.512 197 HB3 ASN 32 1HB ASN 32 5.042 4.218 8.417 198 HD21 ASN 32 1HD2 ASN 32 2.365 3.078 9.087 199 HD22 ASN 32 2HD2 ASN 32 1.731 2.493 7.629 200 H TRP 33 H TRP 33 4.786 4.438 11.442 201 HA TRP 33 HA TRP 33 6.503 6.866 11.678 202 HB2 TRP 33 2HB TRP 33 6.234 6.333 14.269 203 HB3 TRP 33 1HB TRP 33 5.043 7.314 13.433 204 HD1 TRP 33 HD1 TRP 33 2.982 5.568 12.281 205 HE1 TRP 33 HE1 TRP 33 1.661 3.791 13.597 206 HE3 TRP 33 HE3 TRP 33 6.130 4.887 16.252 207 HZ2 TRP 33 HZ2 TRP 33 1.904 2.287 16.020 208 HZ3 TRP 33 HZ3 TRP 33 5.551 3.288 18.057 209 HH2 TRP 33 HH2 TRP 33 3.442 1.990 17.944 210 H ILE 34 H ILE 34 6.129 3.674 13.319 211 HA ILE 34 HA ILE 34 9.070 3.257 12.973 212 HB ILE 34 HB ILE 34 8.720 1.494 14.690 213 HG12 ILE 34 2HG1 ILE 34 5.856 2.428 14.870 214 HG13 ILE 34 1HG1 ILE 34 6.328 1.048 13.878 215 HG21 ILE 34 1HG2 ILE 34 7.729 3.106 16.490 216 HG22 ILE 34 2HG2 ILE 34 7.740 4.292 15.182 217 HG23 ILE 34 3HG2 ILE 34 9.243 3.529 15.699 218 HD11 ILE 34 3HD1 ILE 34 7.315 1.128 16.703 219 HD12 ILE 34 1HD1 ILE 34 6.889 -0.260 15.701 220 HD13 ILE 34 2HD1 ILE 34 5.621 0.721 16.434 221 H LEU 35 H LEU 35 6.613 2.781 11.029 222 HA LEU 35 HA LEU 35 7.413 0.013 10.225 223 HB2 LEU 35 2HB LEU 35 4.752 1.421 10.404 224 HB3 LEU 35 1HB LEU 35 4.960 0.061 9.300 225 HG LEU 35 HG LEU 35 6.102 -0.599 11.873 226 HD11 LEU 35 1HD1 LEU 35 4.300 -0.350 13.340 227 HD12 LEU 35 2HD1 LEU 35 3.138 -0.115 12.035 228 HD13 LEU 35 3HD1 LEU 35 4.266 1.175 12.457 229 HD21 LEU 35 3HD2 LEU 35 5.361 -2.208 10.153 230 HD22 LEU 35 1HD2 LEU 35 3.697 -1.656 10.346 231 HD23 LEU 35 2HD2 LEU 35 4.512 -2.485 11.672 232 HA PRO 36 HA PRO 36 8.437 1.913 6.370 233 HB2 PRO 36 2HB PRO 36 8.341 -0.275 4.742 234 HB3 PRO 36 1HB PRO 36 9.653 0.020 5.898 235 HG2 PRO 36 2HG PRO 36 7.315 -1.807 6.114 236 HG3 PRO 36 1HG PRO 36 8.983 -2.038 6.670 237 HD2 PRO 36 2HD PRO 36 6.891 -1.341 8.316 238 HD3 PRO 36 1HD PRO 36 8.595 -0.972 8.663 239 H GLY 37 H GLY 37 7.299 2.818 4.602 240 HA2 GLY 37 2HA GLY 37 4.600 1.702 3.998 241 HA3 GLY 37 1HA GLY 37 4.784 3.425 4.333 242 H CYS 38 H CYS 38 4.571 4.469 2.407 243 HA CYS 38 HA CYS 38 6.219 3.483 0.103 244 HB2 CYS 38 2HB CYS 38 3.535 4.864 -0.132 245 HB3 CYS 38 1HB CYS 38 4.377 3.907 -1.349 246 H SER 39 H SER 39 7.429 5.100 -0.924 247 HA SER 39 HA SER 39 7.526 7.751 0.343 248 HB2 SER 39 2HB SER 39 9.321 7.979 -1.533 249 HB3 SER 39 1HB SER 39 9.609 6.810 -0.247 250 HG SER 39 HG SER 39 8.935 6.431 -2.933 251 H THR 40 H THR 40 5.021 7.701 -0.602 252 HA THR 40 HA THR 40 5.089 9.138 -3.237 253 HB THR 40 HB THR 40 2.532 8.298 -2.992 254 HG1 THR 40 HG1 THR 40 2.315 6.675 -1.682 255 HG21 THR 40 3HG2 THR 40 5.000 7.141 -4.140 256 HG22 THR 40 1HG2 THR 40 3.459 7.512 -4.913 257 HG23 THR 40 2HG2 THR 40 3.645 6.026 -3.985 258 H SER 41 H SER 41 5.658 10.728 -1.112 259 HA SER 41 HA SER 41 3.400 11.829 0.307 260 HB2 SER 41 2HB SER 41 5.586 13.690 -0.157 261 HB3 SER 41 1HB SER 41 5.097 12.903 1.342 262 HG SER 41 HG SER 41 7.284 12.417 0.308 263 H SER 42 H SER 42 2.098 13.606 -0.214 264 HA SER 42 HA SER 42 2.385 14.698 -2.996 265 HB2 SER 42 2HB SER 42 -0.207 15.039 -2.499 266 HB3 SER 42 1HB SER 42 0.410 13.473 -3.017 267 HG SER 42 HG SER 42 -0.930 13.347 -1.140 268 H PHE 43 H PHE 43 3.193 15.681 -0.044 269 HA PHE 43 HA PHE 43 2.688 18.518 -0.606 270 HB2 PHE 43 2HB PHE 43 0.549 17.459 0.341 271 HB3 PHE 43 1HB PHE 43 1.426 17.304 1.860 272 HD1 PHE 43 HD2 PHE 43 1.211 19.993 -0.768 273 HD2 PHE 43 HD1 PHE 43 0.790 18.939 3.378 274 HE1 PHE 43 HE2 PHE 43 0.704 22.354 -0.214 275 HE2 PHE 43 HE1 PHE 43 0.279 21.302 3.926 276 HZ PHE 43 HZ PHE 43 0.236 23.008 2.131 277 H PHE 44 H PHE 44 4.999 16.637 0.150 278 HA PHE 44 HA PHE 44 6.348 18.470 1.955 279 HB2 PHE 44 2HB PHE 44 4.680 16.599 3.156 280 HB3 PHE 44 1HB PHE 44 6.264 15.823 3.246 281 HD1 PHE 44 HD1 PHE 44 4.470 19.018 3.971 282 HD2 PHE 44 HD2 PHE 44 7.886 16.553 4.824 283 HE1 PHE 44 HE1 PHE 44 5.102 20.534 5.826 284 HE2 PHE 44 HE2 PHE 44 8.510 18.074 6.681 285 HZ PHE 44 HZ PHE 44 7.123 20.065 7.178 286 H LYS 45 H LYS 45 8.471 17.126 2.799 287 HA LYS 45 HA LYS 45 9.475 15.474 0.512 288 HB2 LYS 45 2HB LYS 45 11.520 16.809 0.552 289 HB3 LYS 45 1HB LYS 45 10.147 17.903 0.418 290 HG2 LYS 45 2HG LYS 45 10.354 17.773 3.116 291 HG3 LYS 45 1HG LYS 45 12.042 17.505 2.683 292 HD2 LYS 45 2HD LYS 45 12.079 19.563 1.373 293 HD3 LYS 45 1HD LYS 45 10.354 19.809 1.650 294 HE2 LYS 45 2HE LYS 45 12.041 19.466 4.091 295 HE3 LYS 45 1HE LYS 45 12.234 20.988 3.199 296 HZ1 LYS 45 3HZ LYS 45 9.784 21.187 3.176 297 HZ2 LYS 45 1HZ LYS 45 10.426 21.223 4.745 298 HZ3 LYS 45 2HZ LYS 45 9.679 19.810 4.172 299 H ILE 46 H ILE 46 12.155 15.552 1.948 300 HA ILE 46 HA ILE 46 11.631 13.319 3.816 301 HB ILE 46 HB ILE 46 14.141 14.554 2.635 302 HG12 ILE 46 2HG1 ILE 46 12.599 13.405 1.021 303 HG13 ILE 46 1HG1 ILE 46 14.168 12.616 1.170 304 HG21 ILE 46 1HG2 ILE 46 13.736 12.091 4.347 305 HG22 ILE 46 2HG2 ILE 46 14.750 13.489 4.703 306 HG23 ILE 46 3HG2 ILE 46 15.195 12.380 3.404 307 HD11 ILE 46 3HD1 ILE 46 11.485 11.668 2.033 308 HD12 ILE 46 1HD1 ILE 46 12.834 11.290 3.104 309 HD13 ILE 46 2HD1 ILE 46 12.862 10.748 1.427 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -13.649 -8.095 3.786 2 H2 GLY 1 2H GLY 1 -14.374 -7.719 2.291 3 H3 GLY 1 3H GLY 1 -15.056 -8.896 3.299 4 HA2 GLY 1 2HA GLY 1 -16.071 -7.423 4.645 5 HA3 GLY 1 1HA GLY 1 -14.746 -6.272 4.489 6 HA HYP 2 HA HYP 2 -17.918 -4.315 1.956 7 HB2 HYP 2 1HB HYP 2 -16.673 -1.881 1.828 8 HB3 HYP 2 2HB HYP 2 -17.644 -2.398 3.221 9 HG HYP 2 HG HYP 2 -14.686 -2.439 2.854 10 HD22 HYP 2 1HD HYP 2 -15.934 -4.127 4.955 11 HD23 HYP 2 2HD HYP 2 -14.406 -4.344 4.074 12 HD1 HYP 2 HOD HYP 2 -15.814 -0.835 4.206 13 H SER 3 H SER 3 -17.900 -3.706 -0.306 14 HA SER 3 HA SER 3 -15.764 -4.849 -1.894 15 HB2 SER 3 2HB SER 3 -17.896 -2.951 -2.876 16 HB3 SER 3 1HB SER 3 -17.207 -4.340 -3.701 17 HG SER 3 HG SER 3 -19.045 -5.164 -2.950 18 H PHE 4 H PHE 4 -14.006 -3.454 -0.863 19 HA PHE 4 HA PHE 4 -13.520 -1.079 -2.580 20 HB2 PHE 4 2HB PHE 4 -14.610 -0.901 0.015 21 HB3 PHE 4 1HB PHE 4 -12.906 -0.503 0.224 22 HD1 PHE 4 HD1 PHE 4 -12.391 0.704 -2.525 23 HD2 PHE 4 HD2 PHE 4 -15.611 1.244 0.273 24 HE1 PHE 4 HE1 PHE 4 -12.811 2.964 -3.445 25 HE2 PHE 4 HE2 PHE 4 -16.031 3.507 -0.653 26 HZ PHE 4 HZ PHE 4 -14.632 4.365 -2.512 27 H CYS 5 H CYS 5 -11.281 -0.203 -0.897 28 HA CYS 5 HA CYS 5 -9.181 -1.882 -1.900 29 HB2 CYS 5 2HB CYS 5 -7.860 -0.477 -0.114 30 HB3 CYS 5 1HB CYS 5 -8.602 0.356 -1.471 31 H LYS 6 H LYS 6 -7.488 -2.923 -0.411 32 HA LYS 6 HA LYS 6 -8.796 -4.892 1.311 33 HB2 LYS 6 2HB LYS 6 -6.686 -4.932 -0.341 34 HB3 LYS 6 1HB LYS 6 -5.830 -4.527 1.143 35 HG2 LYS 6 2HG LYS 6 -5.862 -6.706 1.676 36 HG3 LYS 6 1HG LYS 6 -7.609 -6.576 1.865 37 HD2 LYS 6 2HD LYS 6 -7.845 -7.996 0.129 38 HD3 LYS 6 1HD LYS 6 -7.160 -6.752 -0.917 39 HE2 LYS 6 2HE LYS 6 -4.867 -7.742 0.161 40 HE3 LYS 6 1HE LYS 6 -5.876 -9.201 0.190 41 HZ1 LYS 6 3HZ LYS 6 -4.718 -8.851 -1.958 42 HZ2 LYS 6 1HZ LYS 6 -5.583 -7.406 -2.170 43 HZ3 LYS 6 2HZ LYS 6 -6.404 -8.900 -2.114 44 H ALA 7 H ALA 7 -7.474 -5.319 3.503 45 HA ALA 7 HA ALA 7 -7.551 -2.726 4.992 46 HB1 ALA 7 3HB ALA 7 -8.401 -3.961 6.735 47 HB2 ALA 7 1HB ALA 7 -7.406 -5.367 6.364 48 HB3 ALA 7 2HB ALA 7 -8.863 -5.043 5.421 49 H ASP 8 H ASP 8 -6.006 -2.742 6.972 50 HA ASP 8 HA ASP 8 -3.279 -2.907 6.060 51 HB2 ASP 8 2HB ASP 8 -4.647 -2.482 8.726 52 HB3 ASP 8 1HB ASP 8 -2.892 -2.435 8.559 53 H GLU 9 H GLU 9 -1.715 -4.093 7.822 54 HA GLU 9 HA GLU 9 -0.929 -6.131 8.719 55 HB2 GLU 9 2HB GLU 9 -3.481 -5.947 9.572 56 HB3 GLU 9 1HB GLU 9 -3.637 -7.376 8.555 57 HG2 GLU 9 2HG GLU 9 -2.535 -8.667 10.049 58 HG3 GLU 9 1HG GLU 9 -1.238 -7.481 10.215 59 H LYS 10 H LYS 10 -3.481 -6.797 6.295 60 HA LYS 10 HA LYS 10 -1.934 -9.035 5.184 61 HB2 LYS 10 2HB LYS 10 -3.944 -8.737 3.403 62 HB3 LYS 10 1HB LYS 10 -4.163 -9.560 4.939 63 HG2 LYS 10 2HG LYS 10 -4.959 -7.360 5.900 64 HG3 LYS 10 1HG LYS 10 -4.900 -6.695 4.267 65 HD2 LYS 10 2HD LYS 10 -7.024 -7.463 4.077 66 HD3 LYS 10 1HD LYS 10 -6.294 -9.061 3.922 67 HE2 LYS 10 2HE LYS 10 -7.124 -7.790 6.566 68 HE3 LYS 10 1HE LYS 10 -8.048 -9.032 5.700 69 HZ1 LYS 10 3HZ LYS 10 -5.285 -9.273 6.776 70 HZ2 LYS 10 1HZ LYS 10 -5.981 -10.414 5.733 71 HZ3 LYS 10 2HZ LYS 10 -6.656 -10.142 7.267 72 HA HYP 11 HA HYP 11 0.200 -5.984 2.626 73 HB2 HYP 11 1HB HYP 11 2.279 -7.618 1.964 74 HB3 HYP 11 2HB HYP 11 2.176 -6.782 3.525 75 HG HYP 11 HG HYP 11 2.337 -8.891 4.320 76 HD22 HYP 11 1HD HYP 11 0.362 -8.520 5.311 77 HD23 HYP 11 2HD HYP 11 -0.268 -9.740 4.192 78 HD1 HYP 11 HOD HYP 11 0.949 -9.816 1.990 79 H CYS 12 H CYS 12 1.324 -6.382 0.292 80 HA CYS 12 HA CYS 12 0.125 -8.568 -1.252 81 HB2 CYS 12 2HB CYS 12 -1.595 -7.456 -2.301 82 HB3 CYS 12 1HB CYS 12 -1.592 -6.571 -0.786 83 H GLU 13 H GLU 13 0.503 -7.924 -3.788 84 HA GLU 13 HA GLU 13 3.391 -7.513 -4.009 85 HB2 GLU 13 2HB GLU 13 1.953 -9.140 -5.308 86 HB3 GLU 13 1HB GLU 13 1.269 -7.763 -6.169 87 HG2 GLU 13 2HG GLU 13 3.905 -7.234 -6.482 88 HG3 GLU 13 1HG GLU 13 3.959 -8.995 -6.404 89 H TYR 14 H TYR 14 0.505 -5.699 -5.085 90 HA TYR 14 HA TYR 14 2.019 -3.562 -6.359 91 HB2 TYR 14 2HB TYR 14 -0.814 -4.191 -5.594 92 HB3 TYR 14 1HB TYR 14 -0.426 -2.525 -5.999 93 HD1 TYR 14 HD2 TYR 14 0.592 -5.890 -7.339 94 HD2 TYR 14 HD1 TYR 14 -0.960 -1.974 -8.187 95 HE1 TYR 14 HE2 TYR 14 0.514 -6.449 -9.747 96 HE2 TYR 14 HE1 TYR 14 -1.038 -2.531 -10.606 97 HH TYR 14 HH TYR 14 -0.891 -5.615 -11.787 98 H HIS 15 H HIS 15 0.648 -1.274 -5.238 99 HA HIS 15 HA HIS 15 1.680 -1.260 -2.425 100 HB2 HIS 15 2HB HIS 15 2.873 -0.051 -4.583 101 HB3 HIS 15 1HB HIS 15 1.868 1.252 -3.957 102 HD1 HIS 15 HD1 HIS 15 2.621 -0.686 -1.066 103 HD2 HIS 15 HD2 HIS 15 4.840 1.997 -3.369 104 HE1 HIS 15 HE1 HIS 15 4.522 0.124 0.401 105 H ALA 16 H ALA 16 -1.063 -1.009 -4.230 106 HA ALA 16 HA ALA 16 -2.303 0.944 -2.317 107 HB1 ALA 16 3HB ALA 16 -1.837 1.863 -4.609 108 HB2 ALA 16 1HB ALA 16 -3.546 1.871 -4.174 109 HB3 ALA 16 2HB ALA 16 -2.920 0.636 -5.268 110 H ASP 17 H ASP 17 -2.256 -2.219 -2.941 111 HA ASP 17 HA ASP 17 -4.902 -3.047 -3.604 112 HB2 ASP 17 2HB ASP 17 -3.116 -4.636 -3.529 113 HB3 ASP 17 1HB ASP 17 -2.656 -4.149 -1.899 114 H CYS 18 H CYS 18 -3.437 -2.370 -0.405 115 HA CYS 18 HA CYS 18 -6.049 -2.608 0.957 116 HB2 CYS 18 2HB CYS 18 -3.321 -1.638 1.895 117 HB3 CYS 18 1HB CYS 18 -4.691 -1.988 2.946 118 H CYS 19 H CYS 19 -6.593 -0.600 2.452 119 HA CYS 19 HA CYS 19 -6.954 1.715 0.722 120 HB2 CYS 19 2HB CYS 19 -7.371 1.487 3.704 121 HB3 CYS 19 1HB CYS 19 -8.189 2.585 2.595 122 H ASN 20 H ASN 20 -4.097 1.004 1.376 123 HA ASN 20 HA ASN 20 -3.126 3.672 2.010 124 HB2 ASN 20 2HB ASN 20 -1.740 2.313 3.942 125 HB3 ASN 20 1HB ASN 20 -3.228 3.211 4.269 126 HD21 ASN 20 1HD2 ASN 20 -4.988 2.005 5.067 127 HD22 ASN 20 2HD2 ASN 20 -5.064 0.311 5.063 128 H CYS 21 H CYS 21 -1.334 0.718 2.778 129 HA CYS 21 HA CYS 21 -0.056 0.561 0.113 130 HB2 CYS 21 2HB CYS 21 1.133 1.801 2.568 131 HB3 CYS 21 1HB CYS 21 2.197 0.805 1.573 132 H CYS 22 H CYS 22 0.665 -1.580 -0.216 133 HA CYS 22 HA CYS 22 0.496 -3.409 2.155 134 HB2 CYS 22 2HB CYS 22 -0.269 -5.075 0.577 135 HB3 CYS 22 1HB CYS 22 -1.118 -3.587 0.171 136 H LEU 23 H LEU 23 2.796 -3.044 2.734 137 HA LEU 23 HA LEU 23 4.907 -3.603 0.783 138 HB2 LEU 23 2HB LEU 23 4.823 -3.328 3.801 139 HB3 LEU 23 1HB LEU 23 6.319 -3.502 2.884 140 HG LEU 23 HG LEU 23 5.140 -1.485 1.498 141 HD11 LEU 23 1HD1 LEU 23 3.358 -0.752 2.672 142 HD12 LEU 23 2HD1 LEU 23 4.542 -0.057 3.777 143 HD13 LEU 23 3HD1 LEU 23 3.834 -1.635 4.122 144 HD21 LEU 23 3HD2 LEU 23 6.858 -0.182 2.357 145 HD22 LEU 23 1HD2 LEU 23 7.421 -1.781 2.839 146 HD23 LEU 23 2HD2 LEU 23 6.601 -0.747 4.007 147 H SER 24 H SER 24 6.339 -5.434 0.851 148 HA SER 24 HA SER 24 5.238 -7.982 0.879 149 HB2 SER 24 2HB SER 24 7.755 -8.590 1.457 150 HB3 SER 24 1HB SER 24 7.348 -7.807 -0.068 151 HG SER 24 HG SER 24 9.081 -6.913 1.508 152 H GLY 25 H GLY 25 6.484 -6.209 3.650 153 HA2 GLY 25 2HA GLY 25 6.420 -8.466 5.460 154 HA3 GLY 25 1HA GLY 25 6.577 -6.773 5.933 155 H ILE 26 H ILE 26 4.251 -5.643 4.949 156 HA ILE 26 HA ILE 26 1.853 -7.164 5.516 157 HB ILE 26 HB ILE 26 3.454 -6.083 7.724 158 HG12 ILE 26 2HG1 ILE 26 0.856 -7.468 8.172 159 HG13 ILE 26 1HG1 ILE 26 2.100 -8.355 7.291 160 HG21 ILE 26 1HG2 ILE 26 1.952 -4.150 7.577 161 HG22 ILE 26 2HG2 ILE 26 1.598 -5.101 9.019 162 HG23 ILE 26 3HG2 ILE 26 0.550 -5.219 7.606 163 HD11 ILE 26 3HD1 ILE 26 2.871 -6.903 9.790 164 HD12 ILE 26 1HD1 ILE 26 3.555 -8.373 9.097 165 HD13 ILE 26 2HD1 ILE 26 2.004 -8.432 9.937 166 H CYS 27 H CYS 27 -0.089 -5.664 5.556 167 HA CYS 27 HA CYS 27 0.376 -3.319 3.834 168 HB2 CYS 27 2HB CYS 27 -1.839 -5.035 4.613 169 HB3 CYS 27 1HB CYS 27 -2.299 -3.339 4.732 170 H ALA 28 H ALA 28 0.520 -1.218 4.546 171 HA ALA 28 HA ALA 28 -0.350 -0.562 7.332 172 HB1 ALA 28 3HB ALA 28 1.829 -0.669 7.935 173 HB2 ALA 28 1HB ALA 28 2.097 0.746 6.917 174 HB3 ALA 28 2HB ALA 28 2.342 -0.873 6.259 175 HA HYP 29 HA HYP 29 -1.681 3.277 5.642 176 HB2 HYP 29 1HB HYP 29 -0.923 5.087 7.555 177 HB3 HYP 29 2HB HYP 29 -2.273 3.950 7.768 178 HG HYP 29 HG HYP 29 0.545 3.746 8.722 179 HD22 HYP 29 1HD HYP 29 -1.176 1.312 8.577 180 HD23 HYP 29 2HD HYP 29 0.595 1.461 8.528 181 HD1 HYP 29 HOD HYP 29 -0.520 3.107 10.622 182 H SER 30 H SER 30 -0.933 5.294 4.658 183 HA SER 30 HA SER 30 1.855 5.199 3.754 184 HB2 SER 30 2HB SER 30 0.908 7.489 2.732 185 HB3 SER 30 1HB SER 30 0.427 5.927 2.071 186 HG SER 30 HG SER 30 -1.074 7.813 3.253 187 H THR 31 H THR 31 0.014 6.890 6.207 188 HA THR 31 HA THR 31 1.934 9.056 6.617 189 HB THR 31 HB THR 31 -0.128 8.061 8.586 190 HG1 THR 31 HG1 THR 31 -0.667 9.605 6.261 191 HG21 THR 31 3HG2 THR 31 -0.450 10.509 8.898 192 HG22 THR 31 1HG2 THR 31 0.838 10.797 7.729 193 HG23 THR 31 2HG2 THR 31 1.193 9.979 9.252 194 H ASN 32 H ASN 32 3.721 7.200 6.697 195 HA ASN 32 HA ASN 32 3.951 6.111 9.473 196 HB2 ASN 32 2HB ASN 32 4.839 5.319 6.737 197 HB3 ASN 32 1HB ASN 32 5.915 4.901 8.068 198 HD21 ASN 32 1HD2 ASN 32 5.202 2.590 7.384 199 HD22 ASN 32 2HD2 ASN 32 3.773 1.988 8.071 200 H TRP 33 H TRP 33 6.304 6.049 10.255 201 HA TRP 33 HA TRP 33 7.809 8.497 9.421 202 HB2 TRP 33 2HB TRP 33 8.366 8.440 12.057 203 HB3 TRP 33 1HB TRP 33 6.972 9.303 11.422 204 HD1 TRP 33 HD1 TRP 33 4.645 7.656 11.304 205 HE1 TRP 33 HE1 TRP 33 3.746 6.119 13.175 206 HE3 TRP 33 HE3 TRP 33 8.889 7.086 14.080 207 HZ2 TRP 33 HZ2 TRP 33 4.715 4.821 15.531 208 HZ3 TRP 33 HZ3 TRP 33 8.877 5.706 16.128 209 HH2 TRP 33 HH2 TRP 33 6.791 4.572 16.861 210 H ILE 34 H ILE 34 8.237 5.777 11.725 211 HA ILE 34 HA ILE 34 10.969 5.349 10.581 212 HB ILE 34 HB ILE 34 9.629 4.446 13.155 213 HG12 ILE 34 2HG1 ILE 34 10.203 6.914 12.845 214 HG13 ILE 34 1HG1 ILE 34 10.953 6.129 14.234 215 HG21 ILE 34 1HG2 ILE 34 11.296 2.802 12.559 216 HG22 ILE 34 2HG2 ILE 34 11.998 3.839 13.803 217 HG23 ILE 34 3HG2 ILE 34 12.446 4.064 12.113 218 HD11 ILE 34 3HD1 ILE 34 13.015 5.774 12.899 219 HD12 ILE 34 1HD1 ILE 34 12.612 7.485 13.042 220 HD13 ILE 34 2HD1 ILE 34 12.269 6.621 11.543 221 H LEU 35 H LEU 35 7.814 3.996 10.707 222 HA LEU 35 HA LEU 35 8.641 1.235 10.096 223 HB2 LEU 35 2HB LEU 35 6.018 2.739 10.330 224 HB3 LEU 35 1HB LEU 35 6.084 1.055 9.815 225 HG LEU 35 HG LEU 35 7.599 0.813 11.991 226 HD11 LEU 35 1HD1 LEU 35 7.688 3.001 12.836 227 HD12 LEU 35 2HD1 LEU 35 6.354 2.305 13.757 228 HD13 LEU 35 3HD1 LEU 35 6.020 3.348 12.375 229 HD21 LEU 35 3HD2 LEU 35 4.596 1.100 12.269 230 HD22 LEU 35 1HD2 LEU 35 5.658 -0.007 13.139 231 HD23 LEU 35 2HD2 LEU 35 5.343 -0.254 11.422 232 HA PRO 36 HA PRO 36 8.830 1.902 5.736 233 HB2 PRO 36 2HB PRO 36 8.213 -0.624 4.852 234 HB3 PRO 36 1HB PRO 36 9.789 -0.194 5.545 235 HG2 PRO 36 2HG PRO 36 7.464 -1.547 6.831 236 HG3 PRO 36 1HG PRO 36 9.196 -1.896 6.974 237 HD2 PRO 36 2HD PRO 36 7.832 -0.537 8.872 238 HD3 PRO 36 1HD PRO 36 9.547 -0.223 8.518 239 H GLY 37 H GLY 37 7.217 3.069 4.740 240 HA2 GLY 37 2HA GLY 37 4.440 1.946 4.769 241 HA3 GLY 37 1HA GLY 37 4.801 3.670 4.709 242 H CYS 38 H CYS 38 5.043 4.626 2.719 243 HA CYS 38 HA CYS 38 4.986 2.791 0.340 244 HB2 CYS 38 2HB CYS 38 4.078 5.664 0.403 245 HB3 CYS 38 1HB CYS 38 3.591 4.388 -0.711 246 H SER 39 H SER 39 6.365 5.844 1.587 247 HA SER 39 HA SER 39 8.018 6.350 -0.740 248 HB2 SER 39 2HB SER 39 9.024 7.469 1.734 249 HB3 SER 39 1HB SER 39 8.254 8.300 0.386 250 HG SER 39 HG SER 39 7.054 8.476 2.371 251 H THR 40 H THR 40 8.765 3.925 -0.732 252 HA THR 40 HA THR 40 11.486 3.849 0.388 253 HB THR 40 HB THR 40 9.978 3.164 2.259 254 HG1 THR 40 HG1 THR 40 11.379 1.692 2.805 255 HG21 THR 40 3HG2 THR 40 8.395 1.510 2.081 256 HG22 THR 40 1HG2 THR 40 9.312 0.610 0.874 257 HG23 THR 40 2HG2 THR 40 8.391 2.038 0.399 258 H SER 41 H SER 41 12.787 2.342 -0.720 259 HA SER 41 HA SER 41 11.540 1.051 -3.115 260 HB2 SER 41 2HB SER 41 14.168 0.867 -3.555 261 HB3 SER 41 1HB SER 41 13.321 2.393 -3.799 262 HG SER 41 HG SER 41 15.253 2.539 -2.481 263 H SER 42 H SER 42 13.694 0.391 -0.358 264 HA SER 42 HA SER 42 14.345 -2.318 -0.840 265 HB2 SER 42 2HB SER 42 13.879 -0.703 1.681 266 HB3 SER 42 1HB SER 42 14.535 -2.338 1.711 267 HG SER 42 HG SER 42 15.691 0.049 0.892 268 H PHE 43 H PHE 43 13.469 -4.231 0.410 269 HA PHE 43 HA PHE 43 10.492 -4.093 0.744 270 HB2 PHE 43 2HB PHE 43 10.676 -6.535 -0.169 271 HB3 PHE 43 1HB PHE 43 10.814 -5.202 -1.312 272 HD1 PHE 43 HD1 PHE 43 12.905 -7.442 0.853 273 HD2 PHE 43 HD2 PHE 43 12.712 -5.022 -2.693 274 HE1 PHE 43 HE1 PHE 43 15.165 -8.227 0.190 275 HE2 PHE 43 HE2 PHE 43 14.968 -5.810 -3.352 276 HZ PHE 43 HZ PHE 43 16.196 -7.412 -1.912 277 H PHE 44 H PHE 44 12.571 -3.920 2.842 278 HA PHE 44 HA PHE 44 12.215 -6.551 4.232 279 HB2 PHE 44 2HB PHE 44 14.496 -5.245 3.693 280 HB3 PHE 44 1HB PHE 44 14.073 -4.407 5.185 281 HD1 PHE 44 HD1 PHE 44 14.020 -7.934 3.870 282 HD2 PHE 44 HD2 PHE 44 14.962 -5.301 7.138 283 HE1 PHE 44 HE1 PHE 44 14.852 -9.863 5.187 284 HE2 PHE 44 HE2 PHE 44 15.793 -7.230 8.451 285 HZ PHE 44 HZ PHE 44 15.736 -9.510 7.477 286 H LYS 45 H LYS 45 11.752 -6.403 6.577 287 HA LYS 45 HA LYS 45 10.063 -4.013 7.228 288 HB2 LYS 45 2HB LYS 45 8.714 -5.578 8.539 289 HB3 LYS 45 1HB LYS 45 8.930 -6.227 6.914 290 HG2 LYS 45 2HG LYS 45 11.147 -7.163 8.397 291 HG3 LYS 45 1HG LYS 45 9.750 -7.364 9.455 292 HD2 LYS 45 2HD LYS 45 9.461 -8.188 6.593 293 HD3 LYS 45 1HD LYS 45 10.409 -9.225 7.657 294 HE2 LYS 45 2HE LYS 45 7.770 -8.282 8.708 295 HE3 LYS 45 1HE LYS 45 7.743 -9.517 7.433 296 HZ1 LYS 45 3HZ LYS 45 9.342 -10.816 8.707 297 HZ2 LYS 45 1HZ LYS 45 7.939 -10.540 9.615 298 HZ3 LYS 45 2HZ LYS 45 9.344 -9.646 9.939 299 H ILE 46 H ILE 46 13.039 -4.531 7.807 300 HA ILE 46 HA ILE 46 12.897 -3.813 10.688 301 HB ILE 46 HB ILE 46 14.500 -6.092 9.481 302 HG12 ILE 46 2HG1 ILE 46 12.291 -6.075 11.563 303 HG13 ILE 46 1HG1 ILE 46 12.090 -6.560 9.881 304 HG21 ILE 46 1HG2 ILE 46 14.379 -5.210 12.379 305 HG22 ILE 46 2HG2 ILE 46 15.697 -4.785 11.285 306 HG23 ILE 46 3HG2 ILE 46 15.395 -6.474 11.688 307 HD11 ILE 46 3HD1 ILE 46 13.733 -8.371 10.192 308 HD12 ILE 46 1HD1 ILE 46 12.415 -8.528 11.352 309 HD13 ILE 46 2HD1 ILE 46 13.970 -7.878 11.869 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -14.149 0.249 -13.343 2 H2 GLY 1 2H GLY 1 -15.748 0.744 -13.638 3 H3 GLY 1 3H GLY 1 -14.971 -0.315 -14.711 4 HA2 GLY 1 2HA GLY 1 -16.603 -1.419 -13.230 5 HA3 GLY 1 1HA GLY 1 -14.965 -2.068 -13.115 6 HA HYP 2 HA HYP 2 -16.442 -0.503 -8.948 7 HB2 HYP 2 1HB HYP 2 -16.790 -2.904 -7.688 8 HB3 HYP 2 2HB HYP 2 -18.091 -2.084 -8.571 9 HG HYP 2 HG HYP 2 -16.378 -4.360 -9.386 10 HD22 HYP 2 1HD HYP 2 -17.602 -2.827 -11.599 11 HD23 HYP 2 2HD HYP 2 -16.030 -3.650 -11.515 12 HD1 HYP 2 HOD HYP 2 -18.302 -5.208 -9.771 13 H SER 3 H SER 3 -14.658 0.019 -7.690 14 HA SER 3 HA SER 3 -12.444 -1.999 -7.469 15 HB2 SER 3 2HB SER 3 -12.288 1.025 -7.692 16 HB3 SER 3 1HB SER 3 -10.907 -0.066 -7.574 17 HG SER 3 HG SER 3 -11.085 -0.253 -9.653 18 H PHE 4 H PHE 4 -11.659 -2.342 -5.414 19 HA PHE 4 HA PHE 4 -12.608 -0.551 -3.203 20 HB2 PHE 4 2HB PHE 4 -13.591 -3.034 -3.731 21 HB3 PHE 4 1HB PHE 4 -12.224 -3.465 -2.703 22 HD1 PHE 4 HD1 PHE 4 -14.949 -0.858 -2.801 23 HD2 PHE 4 HD2 PHE 4 -12.630 -3.583 -0.412 24 HE1 PHE 4 HE1 PHE 4 -16.242 -0.198 -0.788 25 HE2 PHE 4 HE2 PHE 4 -13.925 -2.920 1.594 26 HZ PHE 4 HZ PHE 4 -15.731 -1.229 1.408 27 H CYS 5 H CYS 5 -11.193 -1.672 -1.114 28 HA CYS 5 HA CYS 5 -8.364 -1.911 -2.047 29 HB2 CYS 5 2HB CYS 5 -7.709 -0.205 -0.392 30 HB3 CYS 5 1HB CYS 5 -8.851 0.453 -1.558 31 H LYS 6 H LYS 6 -6.940 -2.822 -0.407 32 HA LYS 6 HA LYS 6 -8.266 -4.842 1.261 33 HB2 LYS 6 2HB LYS 6 -6.073 -4.813 -0.288 34 HB3 LYS 6 1HB LYS 6 -5.313 -4.331 1.226 35 HG2 LYS 6 2HG LYS 6 -5.158 -6.595 1.500 36 HG3 LYS 6 1HG LYS 6 -6.791 -6.391 2.132 37 HD2 LYS 6 2HD LYS 6 -7.315 -7.979 0.577 38 HD3 LYS 6 1HD LYS 6 -7.324 -6.605 -0.529 39 HE2 LYS 6 2HE LYS 6 -5.820 -7.928 -1.688 40 HE3 LYS 6 1HE LYS 6 -4.666 -7.195 -0.559 41 HZ1 LYS 6 3HZ LYS 6 -5.416 -9.074 1.011 42 HZ2 LYS 6 1HZ LYS 6 -4.334 -9.458 -0.237 43 HZ3 LYS 6 2HZ LYS 6 -5.980 -9.837 -0.397 44 H ALA 7 H ALA 7 -7.401 -5.118 3.565 45 HA ALA 7 HA ALA 7 -7.347 -2.466 4.935 46 HB1 ALA 7 3HB ALA 7 -8.926 -3.567 6.128 47 HB2 ALA 7 1HB ALA 7 -7.617 -4.534 6.810 48 HB3 ALA 7 2HB ALA 7 -8.493 -5.108 5.391 49 H ASP 8 H ASP 8 -6.050 -2.631 7.118 50 HA ASP 8 HA ASP 8 -3.260 -2.828 6.577 51 HB2 ASP 8 2HB ASP 8 -4.915 -2.844 9.117 52 HB3 ASP 8 1HB ASP 8 -3.156 -2.733 9.128 53 H GLU 9 H GLU 9 -1.805 -4.281 8.022 54 HA GLU 9 HA GLU 9 -1.031 -6.388 8.695 55 HB2 GLU 9 2HB GLU 9 -3.222 -6.401 9.920 56 HB3 GLU 9 1HB GLU 9 -3.947 -7.180 8.521 57 HG2 GLU 9 2HG GLU 9 -2.047 -8.941 8.796 58 HG3 GLU 9 1HG GLU 9 -1.901 -8.279 10.426 59 H LYS 10 H LYS 10 -3.623 -6.842 6.261 60 HA LYS 10 HA LYS 10 -2.129 -9.012 4.954 61 HB2 LYS 10 2HB LYS 10 -4.062 -8.709 3.237 62 HB3 LYS 10 1HB LYS 10 -4.468 -9.284 4.845 63 HG2 LYS 10 2HG LYS 10 -4.547 -6.432 4.928 64 HG3 LYS 10 1HG LYS 10 -5.400 -6.934 3.480 65 HD2 LYS 10 2HD LYS 10 -6.791 -6.770 5.640 66 HD3 LYS 10 1HD LYS 10 -6.950 -8.256 4.704 67 HE2 LYS 10 2HE LYS 10 -6.441 -9.363 6.629 68 HE3 LYS 10 1HE LYS 10 -4.791 -8.748 6.444 69 HZ1 LYS 10 3HZ LYS 10 -5.650 -8.063 8.564 70 HZ2 LYS 10 1HZ LYS 10 -7.033 -7.388 7.846 71 HZ3 LYS 10 2HZ LYS 10 -5.507 -6.682 7.561 72 HA HYP 11 HA HYP 11 0.149 -5.874 2.654 73 HB2 HYP 11 1HB HYP 11 2.087 -7.592 1.771 74 HB3 HYP 11 2HB HYP 11 2.099 -6.856 3.381 75 HG HYP 11 HG HYP 11 2.142 -9.008 4.044 76 HD22 HYP 11 1HD HYP 11 0.224 -8.574 5.115 77 HD23 HYP 11 2HD HYP 11 -0.499 -9.702 3.954 78 HD1 HYP 11 HOD HYP 11 0.711 -9.655 1.652 79 H CYS 12 H CYS 12 1.130 -6.052 0.258 80 HA CYS 12 HA CYS 12 -0.594 -7.801 -1.454 81 HB2 CYS 12 2HB CYS 12 -1.412 -5.899 -2.678 82 HB3 CYS 12 1HB CYS 12 -1.653 -5.547 -0.970 83 H GLU 13 H GLU 13 0.079 -7.186 -3.886 84 HA GLU 13 HA GLU 13 2.964 -7.743 -4.060 85 HB2 GLU 13 2HB GLU 13 0.629 -8.338 -5.517 86 HB3 GLU 13 1HB GLU 13 1.542 -7.259 -6.567 87 HG2 GLU 13 2HG GLU 13 3.576 -8.782 -6.031 88 HG3 GLU 13 1HG GLU 13 2.376 -9.939 -5.453 89 H TYR 14 H TYR 14 0.727 -5.149 -5.015 90 HA TYR 14 HA TYR 14 3.019 -3.474 -5.927 91 HB2 TYR 14 2HB TYR 14 0.056 -2.871 -6.141 92 HB3 TYR 14 1HB TYR 14 1.357 -2.325 -7.203 93 HD1 TYR 14 HD2 TYR 14 2.846 -4.636 -7.962 94 HD2 TYR 14 HD1 TYR 14 -1.390 -4.352 -7.267 95 HE1 TYR 14 HE2 TYR 14 2.467 -6.614 -9.403 96 HE2 TYR 14 HE1 TYR 14 -1.756 -6.327 -8.709 97 HH TYR 14 HH TYR 14 0.788 -8.356 -9.700 98 H HIS 15 H HIS 15 1.106 -1.085 -5.358 99 HA HIS 15 HA HIS 15 1.438 -1.015 -2.385 100 HB2 HIS 15 2HB HIS 15 2.910 0.393 -4.384 101 HB3 HIS 15 1HB HIS 15 1.899 1.576 -3.553 102 HD1 HIS 15 HD1 HIS 15 4.386 2.368 -2.655 103 HD2 HIS 15 HD2 HIS 15 2.875 -1.226 -1.145 104 HE1 HIS 15 HE1 HIS 15 5.675 1.870 -0.522 105 H ALA 16 H ALA 16 -0.871 -0.944 -4.729 106 HA ALA 16 HA ALA 16 -2.439 1.213 -3.350 107 HB1 ALA 16 3HB ALA 16 -2.753 0.079 -6.137 108 HB2 ALA 16 1HB ALA 16 -1.804 1.519 -5.761 109 HB3 ALA 16 2HB ALA 16 -3.546 1.510 -5.480 110 H ASP 17 H ASP 17 -2.165 -2.057 -3.358 111 HA ASP 17 HA ASP 17 -4.819 -3.058 -3.780 112 HB2 ASP 17 2HB ASP 17 -2.631 -4.343 -3.579 113 HB3 ASP 17 1HB ASP 17 -2.666 -4.027 -1.847 114 H CYS 18 H CYS 18 -3.131 -1.928 -0.854 115 HA CYS 18 HA CYS 18 -5.480 -2.196 0.881 116 HB2 CYS 18 2HB CYS 18 -2.634 -1.275 1.034 117 HB3 CYS 18 1HB CYS 18 -3.735 -0.703 2.284 118 H CYS 19 H CYS 19 -6.222 -0.194 2.142 119 HA CYS 19 HA CYS 19 -6.817 2.005 0.260 120 HB2 CYS 19 2HB CYS 19 -7.887 0.857 2.690 121 HB3 CYS 19 1HB CYS 19 -7.701 2.600 2.878 122 H ASN 20 H ASN 20 -4.028 1.477 1.333 123 HA ASN 20 HA ASN 20 -3.278 4.231 1.952 124 HB2 ASN 20 2HB ASN 20 -2.064 3.014 4.094 125 HB3 ASN 20 1HB ASN 20 -3.614 3.851 4.203 126 HD21 ASN 20 1HD2 ASN 20 -5.433 2.592 4.766 127 HD22 ASN 20 2HD2 ASN 20 -5.425 0.898 4.852 128 H CYS 21 H CYS 21 -1.637 1.214 2.917 129 HA CYS 21 HA CYS 21 0.020 1.129 0.473 130 HB2 CYS 21 2HB CYS 21 0.872 2.289 3.093 131 HB3 CYS 21 1HB CYS 21 2.045 1.288 2.236 132 H CYS 22 H CYS 22 0.975 -0.982 0.268 133 HA CYS 22 HA CYS 22 0.781 -2.765 2.652 134 HB2 CYS 22 2HB CYS 22 -0.182 -4.489 0.940 135 HB3 CYS 22 1HB CYS 22 -1.259 -3.271 1.607 136 H LEU 23 H LEU 23 3.084 -2.841 2.744 137 HA LEU 23 HA LEU 23 4.663 -3.551 0.379 138 HB2 LEU 23 2HB LEU 23 5.129 -3.172 3.339 139 HB3 LEU 23 1HB LEU 23 6.405 -3.842 2.325 140 HG LEU 23 HG LEU 23 5.015 -1.333 1.442 141 HD11 LEU 23 1HD1 LEU 23 6.721 -1.653 3.832 142 HD12 LEU 23 2HD1 LEU 23 5.594 -0.365 3.409 143 HD13 LEU 23 3HD1 LEU 23 7.219 -0.372 2.727 144 HD21 LEU 23 3HD2 LEU 23 7.738 -2.602 1.116 145 HD22 LEU 23 1HD2 LEU 23 7.427 -0.926 0.660 146 HD23 LEU 23 2HD2 LEU 23 6.547 -2.234 -0.131 147 H SER 24 H SER 24 5.930 -5.582 0.261 148 HA SER 24 HA SER 24 4.487 -7.953 0.382 149 HB2 SER 24 2HB SER 24 7.332 -8.288 1.020 150 HB3 SER 24 1HB SER 24 6.453 -8.766 -0.427 151 HG SER 24 HG SER 24 7.650 -7.191 -1.223 152 H GLY 25 H GLY 25 6.300 -6.424 3.016 153 HA2 GLY 25 2HA GLY 25 6.232 -8.674 4.802 154 HA3 GLY 25 1HA GLY 25 6.459 -6.994 5.287 155 H ILE 26 H ILE 26 4.139 -5.747 4.651 156 HA ILE 26 HA ILE 26 1.730 -7.235 5.300 157 HB ILE 26 HB ILE 26 3.527 -6.342 7.423 158 HG12 ILE 26 2HG1 ILE 26 0.916 -7.706 7.905 159 HG13 ILE 26 1HG1 ILE 26 2.150 -8.558 6.979 160 HG21 ILE 26 1HG2 ILE 26 0.646 -5.403 7.575 161 HG22 ILE 26 2HG2 ILE 26 2.065 -4.359 7.527 162 HG23 ILE 26 3HG2 ILE 26 1.781 -5.401 8.922 163 HD11 ILE 26 3HD1 ILE 26 3.772 -8.178 8.812 164 HD12 ILE 26 1HD1 ILE 26 2.365 -9.079 9.374 165 HD13 ILE 26 2HD1 ILE 26 2.515 -7.359 9.744 166 H CYS 27 H CYS 27 -0.155 -5.729 5.597 167 HA CYS 27 HA CYS 27 0.067 -3.341 3.923 168 HB2 CYS 27 2HB CYS 27 -1.935 -4.817 4.099 169 HB3 CYS 27 1HB CYS 27 -2.149 -4.289 5.760 170 H ALA 28 H ALA 28 0.121 -1.165 4.637 171 HA ALA 28 HA ALA 28 0.194 -0.719 7.592 172 HB1 ALA 28 3HB ALA 28 2.470 -0.804 7.057 173 HB2 ALA 28 1HB ALA 28 2.140 0.919 6.898 174 HB3 ALA 28 2HB ALA 28 2.220 -0.100 5.459 175 HA HYP 29 HA HYP 29 -2.403 2.720 6.762 176 HB2 HYP 29 1HB HYP 29 -1.675 4.350 8.846 177 HB3 HYP 29 2HB HYP 29 -2.689 2.907 9.050 178 HG HYP 29 HG HYP 29 0.241 3.254 9.459 179 HD22 HYP 29 1HD HYP 29 -0.948 0.528 9.145 180 HD23 HYP 29 2HD HYP 29 0.715 1.091 8.854 181 HD1 HYP 29 HOD HYP 29 -1.595 1.625 10.921 182 H SER 30 H SER 30 -2.266 4.771 5.723 183 HA SER 30 HA SER 30 0.306 5.523 4.587 184 HB2 SER 30 2HB SER 30 -2.547 6.430 4.480 185 HB3 SER 30 1HB SER 30 -1.306 7.507 3.837 186 HG SER 30 HG SER 30 -1.457 6.272 2.146 187 H THR 31 H THR 31 0.914 5.765 7.201 188 HA THR 31 HA THR 31 0.671 8.699 7.797 189 HB THR 31 HB THR 31 -0.394 6.863 9.293 190 HG1 THR 31 HG1 THR 31 -0.224 8.276 10.877 191 HG21 THR 31 3HG2 THR 31 1.087 5.818 10.904 192 HG22 THR 31 1HG2 THR 31 2.490 6.647 10.226 193 HG23 THR 31 2HG2 THR 31 1.646 5.416 9.284 194 H ASN 32 H ASN 32 2.774 6.903 6.282 195 HA ASN 32 HA ASN 32 5.185 7.496 7.920 196 HB2 ASN 32 2HB ASN 32 4.923 6.075 5.252 197 HB3 ASN 32 1HB ASN 32 6.299 6.036 6.350 198 HD21 ASN 32 1HD2 ASN 32 4.444 5.795 8.776 199 HD22 ASN 32 2HD2 ASN 32 3.896 4.191 8.726 200 H TRP 33 H TRP 33 6.946 8.686 6.920 201 HA TRP 33 HA TRP 33 6.205 10.339 4.549 202 HB2 TRP 33 2HB TRP 33 7.432 12.243 5.977 203 HB3 TRP 33 1HB TRP 33 5.712 11.940 6.163 204 HD1 TRP 33 HD1 TRP 33 5.317 9.834 8.199 205 HE1 TRP 33 HE1 TRP 33 6.314 9.895 10.579 206 HE3 TRP 33 HE3 TRP 33 9.135 13.146 7.495 207 HZ2 TRP 33 HZ2 TRP 33 8.426 11.193 12.004 208 HZ3 TRP 33 HZ3 TRP 33 10.611 13.793 9.369 209 HH2 TRP 33 HH2 TRP 33 10.266 12.819 11.635 210 H ILE 34 H ILE 34 9.042 10.478 6.766 211 HA ILE 34 HA ILE 34 10.820 10.223 4.424 212 HB ILE 34 HB ILE 34 12.588 10.639 6.109 213 HG12 ILE 34 2HG1 ILE 34 10.392 10.750 8.179 214 HG13 ILE 34 1HG1 ILE 34 11.363 9.301 7.921 215 HG21 ILE 34 1HG2 ILE 34 11.720 12.673 5.359 216 HG22 ILE 34 2HG2 ILE 34 11.458 12.809 7.098 217 HG23 ILE 34 3HG2 ILE 34 10.125 12.357 6.037 218 HD11 ILE 34 3HD1 ILE 34 12.958 10.178 9.230 219 HD12 ILE 34 1HD1 ILE 34 12.039 11.674 9.396 220 HD13 ILE 34 2HD1 ILE 34 13.172 11.479 8.058 221 H LEU 35 H LEU 35 9.362 8.099 6.658 222 HA LEU 35 HA LEU 35 11.466 6.069 6.722 223 HB2 LEU 35 2HB LEU 35 8.665 6.465 7.698 224 HB3 LEU 35 1HB LEU 35 9.203 4.799 7.503 225 HG LEU 35 HG LEU 35 11.360 5.735 8.783 226 HD11 LEU 35 1HD1 LEU 35 10.699 7.383 10.486 227 HD12 LEU 35 2HD1 LEU 35 9.080 7.467 9.790 228 HD13 LEU 35 3HD1 LEU 35 10.467 8.052 8.872 229 HD21 LEU 35 3HD2 LEU 35 10.271 4.985 10.904 230 HD22 LEU 35 1HD2 LEU 35 9.977 3.872 9.567 231 HD23 LEU 35 2HD2 LEU 35 8.714 4.995 10.076 232 HA PRO 36 HA PRO 36 10.443 3.982 2.983 233 HB2 PRO 36 2HB PRO 36 10.840 1.350 3.670 234 HB3 PRO 36 1HB PRO 36 12.170 2.497 3.424 235 HG2 PRO 36 2HG PRO 36 10.969 1.506 5.955 236 HG3 PRO 36 1HG PRO 36 12.659 1.871 5.570 237 HD2 PRO 36 2HD PRO 36 11.028 3.539 7.011 238 HD3 PRO 36 1HD PRO 36 12.429 4.092 6.069 239 H GLY 37 H GLY 37 8.078 4.723 3.613 240 HA2 GLY 37 2HA GLY 37 6.385 2.320 4.186 241 HA3 GLY 37 1HA GLY 37 5.892 3.977 4.515 242 H CYS 38 H CYS 38 5.710 5.421 2.531 243 HA CYS 38 HA CYS 38 4.696 3.816 0.190 244 HB2 CYS 38 2HB CYS 38 3.749 6.489 1.237 245 HB3 CYS 38 1HB CYS 38 3.003 5.540 -0.051 246 H SER 39 H SER 39 7.438 5.191 0.664 247 HA SER 39 HA SER 39 7.423 7.370 -1.307 248 HB2 SER 39 2HB SER 39 9.636 5.934 0.201 249 HB3 SER 39 1HB SER 39 9.852 7.386 -0.774 250 HG SER 39 HG SER 39 9.488 7.715 1.588 251 H THR 40 H THR 40 6.408 5.117 -2.567 252 HA THR 40 HA THR 40 8.114 4.781 -4.847 253 HB THR 40 HB THR 40 9.472 3.498 -3.186 254 HG1 THR 40 HG1 THR 40 9.800 1.893 -4.561 255 HG21 THR 40 3HG2 THR 40 7.497 2.828 -1.771 256 HG22 THR 40 1HG2 THR 40 8.608 1.499 -2.148 257 HG23 THR 40 2HG2 THR 40 7.083 1.655 -3.018 258 H SER 41 H SER 41 7.012 3.556 -6.461 259 HA SER 41 HA SER 41 4.308 2.484 -5.707 260 HB2 SER 41 2HB SER 41 5.133 4.528 -7.757 261 HB3 SER 41 1HB SER 41 3.740 3.513 -8.083 262 HG SER 41 HG SER 41 4.012 5.623 -6.381 263 H SER 42 H SER 42 6.508 2.694 -8.549 264 HA SER 42 HA SER 42 6.357 -0.274 -8.835 265 HB2 SER 42 2HB SER 42 6.068 0.603 -11.422 266 HB3 SER 42 1HB SER 42 4.737 0.090 -10.394 267 HG SER 42 HG SER 42 4.658 2.268 -11.470 268 H PHE 43 H PHE 43 8.604 1.111 -7.921 269 HA PHE 43 HA PHE 43 10.374 1.784 -10.180 270 HB2 PHE 43 2HB PHE 43 10.303 1.979 -7.245 271 HB3 PHE 43 1HB PHE 43 11.907 1.603 -7.867 272 HD1 PHE 43 HD2 PHE 43 9.025 3.782 -8.913 273 HD2 PHE 43 HD1 PHE 43 13.244 3.446 -8.208 274 HE1 PHE 43 HE2 PHE 43 9.318 6.153 -9.580 275 HE2 PHE 43 HE1 PHE 43 13.554 5.818 -8.870 276 HZ PHE 43 HZ PHE 43 11.586 7.174 -9.562 277 H PHE 44 H PHE 44 10.163 -0.422 -11.198 278 HA PHE 44 HA PHE 44 11.402 -2.696 -9.803 279 HB2 PHE 44 2HB PHE 44 9.916 -2.136 -12.307 280 HB3 PHE 44 1HB PHE 44 11.142 -3.394 -12.455 281 HD1 PHE 44 HD2 PHE 44 8.452 -2.298 -10.084 282 HD2 PHE 44 HD1 PHE 44 10.556 -5.569 -11.901 283 HE1 PHE 44 HE2 PHE 44 6.950 -3.901 -8.934 284 HE2 PHE 44 HE1 PHE 44 9.057 -7.173 -10.753 285 HZ PHE 44 HZ PHE 44 7.255 -6.342 -9.267 286 H LYS 45 H LYS 45 13.428 -1.185 -9.526 287 HA LYS 45 HA LYS 45 15.367 -1.880 -11.683 288 HB2 LYS 45 2HB LYS 45 14.364 0.363 -12.149 289 HB3 LYS 45 1HB LYS 45 14.904 0.909 -10.560 290 HG2 LYS 45 2HG LYS 45 17.235 0.572 -11.180 291 HG3 LYS 45 1HG LYS 45 16.756 -0.139 -12.722 292 HD2 LYS 45 2HD LYS 45 17.376 2.149 -13.142 293 HD3 LYS 45 1HD LYS 45 15.619 2.045 -13.279 294 HE2 LYS 45 2HE LYS 45 15.687 2.658 -10.693 295 HE3 LYS 45 1HE LYS 45 17.282 3.314 -11.117 296 HZ1 LYS 45 3HZ LYS 45 15.419 4.913 -11.440 297 HZ2 LYS 45 1HZ LYS 45 14.798 3.893 -12.643 298 HZ3 LYS 45 2HZ LYS 45 16.323 4.615 -12.847 299 H ILE 46 H ILE 46 17.626 -1.580 -10.908 300 HA ILE 46 HA ILE 46 17.951 -2.428 -8.132 301 HB ILE 46 HB ILE 46 20.003 -1.645 -10.240 302 HG12 ILE 46 2HG1 ILE 46 19.297 -4.496 -9.679 303 HG13 ILE 46 1HG1 ILE 46 18.152 -3.565 -10.643 304 HG21 ILE 46 1HG2 ILE 46 21.565 -2.892 -8.954 305 HG22 ILE 46 2HG2 ILE 46 20.293 -3.634 -7.982 306 HG23 ILE 46 3HG2 ILE 46 20.681 -1.926 -7.772 307 HD11 ILE 46 3HD1 ILE 46 19.671 -4.532 -12.209 308 HD12 ILE 46 1HD1 ILE 46 21.069 -4.091 -11.229 309 HD13 ILE 46 2HD1 ILE 46 20.147 -2.839 -12.063 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -19.179 4.060 4.894 2 H2 GLY 1 2H GLY 1 -17.751 4.687 5.559 3 H3 GLY 1 3H GLY 1 -18.993 4.129 6.575 4 HA2 GLY 1 2HA GLY 1 -17.752 2.271 6.678 5 HA3 GLY 1 1HA GLY 1 -18.556 1.927 5.148 6 HA HYP 2 HA HYP 2 -13.916 2.226 4.556 7 HB2 HYP 2 1HB HYP 2 -13.463 -0.385 3.890 8 HB3 HYP 2 2HB HYP 2 -13.397 0.213 5.560 9 HG HYP 2 HG HYP 2 -15.571 -1.234 4.139 10 HD22 HYP 2 1HD HYP 2 -16.340 0.290 6.548 11 HD23 HYP 2 2HD HYP 2 -17.258 -0.080 5.073 12 HD1 HYP 2 HOD HYP 2 -14.659 -2.517 5.652 13 H SER 3 H SER 3 -12.896 2.201 2.459 14 HA SER 3 HA SER 3 -14.801 2.213 0.207 15 HB2 SER 3 2HB SER 3 -12.819 3.852 0.851 16 HB3 SER 3 1HB SER 3 -11.837 2.671 -0.014 17 HG SER 3 HG SER 3 -12.641 4.326 -1.390 18 H PHE 4 H PHE 4 -13.345 1.362 -1.930 19 HA PHE 4 HA PHE 4 -13.268 -1.557 -1.550 20 HB2 PHE 4 2HB PHE 4 -13.899 0.249 -3.586 21 HB3 PHE 4 1HB PHE 4 -12.395 -0.486 -4.134 22 HD1 PHE 4 HD1 PHE 4 -12.304 -3.155 -3.657 23 HD2 PHE 4 HD2 PHE 4 -15.871 -0.823 -4.193 24 HE1 PHE 4 HE1 PHE 4 -13.541 -5.198 -4.307 25 HE2 PHE 4 HE2 PHE 4 -17.109 -2.869 -4.844 26 HZ PHE 4 HZ PHE 4 -15.945 -5.056 -4.901 27 H CYS 5 H CYS 5 -11.357 -1.939 -0.274 28 HA CYS 5 HA CYS 5 -8.880 -2.083 -1.796 29 HB2 CYS 5 2HB CYS 5 -7.724 -0.516 -0.066 30 HB3 CYS 5 1HB CYS 5 -8.634 0.218 -1.380 31 H LYS 6 H LYS 6 -7.090 -3.029 -0.452 32 HA LYS 6 HA LYS 6 -8.076 -5.098 1.322 33 HB2 LYS 6 2HB LYS 6 -6.053 -4.982 -0.344 34 HB3 LYS 6 1HB LYS 6 -5.195 -4.260 1.017 35 HG2 LYS 6 2HG LYS 6 -4.820 -6.324 1.816 36 HG3 LYS 6 1HG LYS 6 -6.554 -6.507 2.063 37 HD2 LYS 6 2HD LYS 6 -5.141 -7.099 -0.551 38 HD3 LYS 6 1HD LYS 6 -5.527 -8.323 0.657 39 HE2 LYS 6 2HE LYS 6 -7.644 -8.484 -0.137 40 HE3 LYS 6 1HE LYS 6 -7.892 -6.743 0.099 41 HZ1 LYS 6 3HZ LYS 6 -6.306 -6.620 -1.989 42 HZ2 LYS 6 1HZ LYS 6 -7.989 -6.847 -2.172 43 HZ3 LYS 6 2HZ LYS 6 -6.936 -8.183 -2.272 44 H ALA 7 H ALA 7 -7.275 -5.388 3.558 45 HA ALA 7 HA ALA 7 -7.271 -2.807 5.053 46 HB1 ALA 7 3HB ALA 7 -8.496 -3.982 6.547 47 HB2 ALA 7 1HB ALA 7 -7.327 -5.301 6.581 48 HB3 ALA 7 2HB ALA 7 -8.572 -5.257 5.331 49 H ASP 8 H ASP 8 -5.960 -3.084 7.234 50 HA ASP 8 HA ASP 8 -3.167 -3.075 6.608 51 HB2 ASP 8 2HB ASP 8 -4.672 -3.331 9.233 52 HB3 ASP 8 1HB ASP 8 -2.960 -2.922 9.102 53 H GLU 9 H GLU 9 -1.628 -4.473 8.086 54 HA GLU 9 HA GLU 9 -0.716 -6.561 8.672 55 HB2 GLU 9 2HB GLU 9 -3.475 -7.741 8.391 56 HB3 GLU 9 1HB GLU 9 -2.184 -8.223 9.490 57 HG2 GLU 9 2HG GLU 9 -2.502 -5.730 10.380 58 HG3 GLU 9 1HG GLU 9 -4.123 -5.966 9.714 59 H LYS 10 H LYS 10 -3.322 -7.102 6.325 60 HA LYS 10 HA LYS 10 -1.787 -9.122 4.861 61 HB2 LYS 10 2HB LYS 10 -3.858 -9.078 3.410 62 HB3 LYS 10 1HB LYS 10 -4.183 -9.345 5.121 63 HG2 LYS 10 2HG LYS 10 -4.308 -6.606 4.959 64 HG3 LYS 10 1HG LYS 10 -4.954 -7.088 3.396 65 HD2 LYS 10 2HD LYS 10 -6.806 -6.977 4.951 66 HD3 LYS 10 1HD LYS 10 -6.497 -8.676 4.592 67 HE2 LYS 10 2HE LYS 10 -4.831 -8.078 6.806 68 HE3 LYS 10 1HE LYS 10 -6.397 -7.332 7.175 69 HZ1 LYS 10 3HZ LYS 10 -6.471 -9.614 7.838 70 HZ2 LYS 10 1HZ LYS 10 -5.901 -10.135 6.330 71 HZ3 LYS 10 2HZ LYS 10 -7.446 -9.440 6.459 72 HA HYP 11 HA HYP 11 0.153 -5.704 2.609 73 HB2 HYP 11 1HB HYP 11 2.198 -7.202 1.613 74 HB3 HYP 11 2HB HYP 11 2.190 -6.560 3.263 75 HG HYP 11 HG HYP 11 2.445 -8.746 3.760 76 HD22 HYP 11 1HD HYP 11 0.572 -8.429 4.962 77 HD23 HYP 11 2HD HYP 11 -0.134 -9.601 3.835 78 HD1 HYP 11 HOD HYP 11 0.728 -9.561 1.624 79 H CYS 12 H CYS 12 1.257 -5.934 0.198 80 HA CYS 12 HA CYS 12 -0.455 -7.665 -1.525 81 HB2 CYS 12 2HB CYS 12 -1.369 -5.817 -2.717 82 HB3 CYS 12 1HB CYS 12 -1.495 -5.341 -1.026 83 H GLU 13 H GLU 13 0.345 -7.450 -3.887 84 HA GLU 13 HA GLU 13 3.249 -7.749 -3.932 85 HB2 GLU 13 2HB GLU 13 1.098 -7.698 -6.076 86 HB3 GLU 13 1HB GLU 13 2.773 -8.169 -6.363 87 HG2 GLU 13 2HG GLU 13 2.007 -10.263 -5.901 88 HG3 GLU 13 1HG GLU 13 2.158 -9.749 -4.220 89 H TYR 14 H TYR 14 0.909 -5.344 -5.043 90 HA TYR 14 HA TYR 14 3.077 -3.588 -6.071 91 HB2 TYR 14 2HB TYR 14 0.081 -3.125 -6.142 92 HB3 TYR 14 1HB TYR 14 1.299 -2.494 -7.248 93 HD1 TYR 14 HD2 TYR 14 2.871 -4.765 -8.072 94 HD2 TYR 14 HD1 TYR 14 -1.338 -4.583 -7.243 95 HE1 TYR 14 HE2 TYR 14 2.496 -6.710 -9.560 96 HE2 TYR 14 HE1 TYR 14 -1.715 -6.530 -8.727 97 HH TYR 14 HH TYR 14 0.638 -8.577 -9.703 98 H HIS 15 H HIS 15 0.936 -1.343 -5.376 99 HA HIS 15 HA HIS 15 1.462 -1.178 -2.445 100 HB2 HIS 15 2HB HIS 15 2.773 0.293 -4.585 101 HB3 HIS 15 1HB HIS 15 1.982 1.391 -3.453 102 HD1 HIS 15 HD1 HIS 15 2.399 0.205 -0.785 103 HD2 HIS 15 HD2 HIS 15 5.359 0.011 -3.707 104 HE1 HIS 15 HE1 HIS 15 4.587 -0.155 0.436 105 H ALA 16 H ALA 16 -0.811 -0.790 -4.938 106 HA ALA 16 HA ALA 16 -2.309 1.306 -3.405 107 HB1 ALA 16 3HB ALA 16 -2.950 0.372 -6.190 108 HB2 ALA 16 1HB ALA 16 -1.584 1.453 -5.916 109 HB3 ALA 16 2HB ALA 16 -3.212 1.958 -5.465 110 H ASP 17 H ASP 17 -2.221 -1.969 -3.447 111 HA ASP 17 HA ASP 17 -5.002 -2.672 -3.915 112 HB2 ASP 17 2HB ASP 17 -2.837 -4.110 -3.933 113 HB3 ASP 17 1HB ASP 17 -3.039 -4.173 -2.180 114 H CYS 18 H CYS 18 -3.100 -1.818 -1.023 115 HA CYS 18 HA CYS 18 -5.307 -2.302 0.864 116 HB2 CYS 18 2HB CYS 18 -2.493 -1.312 0.897 117 HB3 CYS 18 1HB CYS 18 -3.529 -0.812 2.229 118 H CYS 19 H CYS 19 -6.360 -0.556 2.094 119 HA CYS 19 HA CYS 19 -7.270 1.677 0.560 120 HB2 CYS 19 2HB CYS 19 -7.114 1.361 3.579 121 HB3 CYS 19 1HB CYS 19 -8.215 2.419 2.699 122 H ASN 20 H ASN 20 -4.217 1.247 2.075 123 HA ASN 20 HA ASN 20 -3.564 4.122 1.650 124 HB2 ASN 20 2HB ASN 20 -2.777 2.501 4.098 125 HB3 ASN 20 1HB ASN 20 -2.479 4.216 3.827 126 HD21 ASN 20 1HD2 ASN 20 -4.998 1.865 4.675 127 HD22 ASN 20 2HD2 ASN 20 -6.165 3.011 5.096 128 H CYS 21 H CYS 21 -1.813 1.217 2.920 129 HA CYS 21 HA CYS 21 -0.113 1.206 0.484 130 HB2 CYS 21 2HB CYS 21 0.688 2.094 3.241 131 HB3 CYS 21 1HB CYS 21 1.886 1.285 2.232 132 H CYS 22 H CYS 22 1.192 -0.788 0.360 133 HA CYS 22 HA CYS 22 0.793 -2.790 2.505 134 HB2 CYS 22 2HB CYS 22 -0.041 -4.380 0.642 135 HB3 CYS 22 1HB CYS 22 -1.168 -3.204 1.295 136 H LEU 23 H LEU 23 3.136 -2.704 2.654 137 HA LEU 23 HA LEU 23 4.794 -3.310 0.303 138 HB2 LEU 23 2HB LEU 23 5.577 -3.544 3.225 139 HB3 LEU 23 1HB LEU 23 6.602 -3.127 1.853 140 HG LEU 23 HG LEU 23 4.571 -1.191 1.835 141 HD11 LEU 23 1HD1 LEU 23 4.413 -2.240 4.324 142 HD12 LEU 23 2HD1 LEU 23 4.091 -0.542 3.970 143 HD13 LEU 23 3HD1 LEU 23 5.670 -1.029 4.584 144 HD21 LEU 23 3HD2 LEU 23 7.402 -1.085 2.929 145 HD22 LEU 23 1HD2 LEU 23 6.418 0.329 2.554 146 HD23 LEU 23 2HD2 LEU 23 6.905 -0.770 1.264 147 H SER 24 H SER 24 6.089 -5.316 0.164 148 HA SER 24 HA SER 24 4.664 -7.721 0.295 149 HB2 SER 24 2HB SER 24 7.555 -7.976 0.835 150 HB3 SER 24 1HB SER 24 6.613 -8.575 -0.526 151 HG SER 24 HG SER 24 7.162 -6.866 -1.625 152 H GLY 25 H GLY 25 6.444 -6.136 2.891 153 HA2 GLY 25 2HA GLY 25 6.532 -8.378 4.685 154 HA3 GLY 25 1HA GLY 25 6.717 -6.687 5.153 155 H ILE 26 H ILE 26 4.332 -5.538 4.534 156 HA ILE 26 HA ILE 26 1.994 -7.100 5.257 157 HB ILE 26 HB ILE 26 3.802 -6.119 7.326 158 HG12 ILE 26 2HG1 ILE 26 1.237 -7.558 7.883 159 HG13 ILE 26 1HG1 ILE 26 2.483 -8.384 6.950 160 HG21 ILE 26 1HG2 ILE 26 0.904 -5.266 7.560 161 HG22 ILE 26 2HG2 ILE 26 2.289 -4.181 7.408 162 HG23 ILE 26 3HG2 ILE 26 2.106 -5.189 8.844 163 HD11 ILE 26 3HD1 ILE 26 2.939 -8.939 9.217 164 HD12 ILE 26 1HD1 ILE 26 2.678 -7.280 9.755 165 HD13 ILE 26 2HD1 ILE 26 4.110 -7.685 8.806 166 H CYS 27 H CYS 27 0.045 -5.675 5.557 167 HA CYS 27 HA CYS 27 0.118 -3.317 3.833 168 HB2 CYS 27 2HB CYS 27 -1.802 -4.890 4.074 169 HB3 CYS 27 1HB CYS 27 -2.019 -4.342 5.725 170 H ALA 28 H ALA 28 0.510 -1.236 4.473 171 HA ALA 28 HA ALA 28 0.440 -0.639 7.408 172 HB1 ALA 28 3HB ALA 28 2.457 0.499 7.173 173 HB2 ALA 28 1HB ALA 28 2.164 0.859 5.464 174 HB3 ALA 28 2HB ALA 28 2.663 -0.756 5.956 175 HA HYP 29 HA HYP 29 -2.410 2.524 6.116 176 HB2 HYP 29 1HB HYP 29 -2.747 3.687 8.563 177 HB3 HYP 29 2HB HYP 29 -3.468 2.129 8.121 178 HG HYP 29 HG HYP 29 -1.186 2.725 9.869 179 HD22 HYP 29 1HD HYP 29 -0.786 0.116 8.689 180 HD23 HYP 29 2HD HYP 29 0.352 1.467 8.856 181 HD1 HYP 29 HOD HYP 29 -2.944 0.476 9.575 182 H SER 30 H SER 30 -0.672 3.681 4.852 183 HA SER 30 HA SER 30 1.001 5.670 6.200 184 HB2 SER 30 2HB SER 30 1.340 4.338 3.961 185 HB3 SER 30 1HB SER 30 0.357 5.620 3.260 186 HG SER 30 HG SER 30 2.612 6.100 3.201 187 H THR 31 H THR 31 -0.842 6.768 7.299 188 HA THR 31 HA THR 31 -1.785 9.067 5.726 189 HB THR 31 HB THR 31 -3.345 7.115 5.244 190 HG1 THR 31 HG1 THR 31 -3.915 9.444 5.289 191 HG21 THR 31 3HG2 THR 31 -4.674 6.173 6.917 192 HG22 THR 31 1HG2 THR 31 -4.456 7.552 7.996 193 HG23 THR 31 2HG2 THR 31 -3.140 6.405 7.766 194 H ASN 32 H ASN 32 -1.563 7.384 8.841 195 HA ASN 32 HA ASN 32 -2.709 9.600 10.378 196 HB2 ASN 32 2HB ASN 32 -0.958 7.706 11.819 197 HB3 ASN 32 1HB ASN 32 -2.639 8.119 12.118 198 HD21 ASN 32 1HD2 ASN 32 -0.629 5.591 11.077 199 HD22 ASN 32 2HD2 ASN 32 -1.800 4.651 10.278 200 H TRP 33 H TRP 33 0.400 8.976 9.015 201 HA TRP 33 HA TRP 33 1.460 11.389 10.253 202 HB2 TRP 33 2HB TRP 33 3.430 10.152 11.229 203 HB3 TRP 33 1HB TRP 33 1.900 9.745 11.996 204 HD1 TRP 33 HD1 TRP 33 0.676 7.571 10.379 205 HE1 TRP 33 HE1 TRP 33 1.807 5.277 9.986 206 HE3 TRP 33 HE3 TRP 33 5.536 8.831 11.253 207 HZ2 TRP 33 HZ2 TRP 33 4.447 4.146 10.030 208 HZ3 TRP 33 HZ3 TRP 33 7.326 7.129 11.079 209 HH2 TRP 33 HH2 TRP 33 6.798 4.815 10.473 210 H ILE 34 H ILE 34 4.092 9.595 9.451 211 HA ILE 34 HA ILE 34 3.969 10.279 6.536 212 HB ILE 34 HB ILE 34 6.478 10.487 8.208 213 HG12 ILE 34 2HG1 ILE 34 5.267 13.061 7.832 214 HG13 ILE 34 1HG1 ILE 34 4.112 12.006 8.644 215 HG21 ILE 34 1HG2 ILE 34 7.181 11.979 6.481 216 HG22 ILE 34 2HG2 ILE 34 5.540 12.128 5.850 217 HG23 ILE 34 3HG2 ILE 34 6.423 10.612 5.662 218 HD11 ILE 34 3HD1 ILE 34 6.928 12.675 9.516 219 HD12 ILE 34 1HD1 ILE 34 5.999 11.348 10.215 220 HD13 ILE 34 2HD1 ILE 34 5.424 13.008 10.375 221 H LEU 35 H LEU 35 3.340 7.782 7.444 222 HA LEU 35 HA LEU 35 5.317 5.838 7.864 223 HB2 LEU 35 2HB LEU 35 2.805 5.609 7.868 224 HB3 LEU 35 1HB LEU 35 2.864 5.580 6.105 225 HG LEU 35 HG LEU 35 4.752 3.706 7.351 226 HD11 LEU 35 1HD1 LEU 35 1.777 3.210 7.688 227 HD12 LEU 35 2HD1 LEU 35 2.883 3.603 9.003 228 HD13 LEU 35 3HD1 LEU 35 3.083 2.096 8.109 229 HD21 LEU 35 3HD2 LEU 35 4.163 2.381 5.533 230 HD22 LEU 35 1HD2 LEU 35 3.802 3.981 4.892 231 HD23 LEU 35 2HD2 LEU 35 2.498 2.964 5.511 232 HA PRO 36 HA PRO 36 7.377 6.397 3.901 233 HB2 PRO 36 2HB PRO 36 9.704 5.144 4.633 234 HB3 PRO 36 1HB PRO 36 9.344 6.831 5.047 235 HG2 PRO 36 2HG PRO 36 9.219 4.400 6.731 236 HG3 PRO 36 1HG PRO 36 9.629 6.062 7.175 237 HD2 PRO 36 2HD PRO 36 7.194 4.823 7.652 238 HD3 PRO 36 1HD PRO 36 7.464 6.581 7.643 239 H GLY 37 H GLY 37 7.891 4.882 2.197 240 HA2 GLY 37 2HA GLY 37 8.370 2.541 1.505 241 HA3 GLY 37 1HA GLY 37 7.315 2.011 2.817 242 H CYS 38 H CYS 38 6.991 4.375 0.149 243 HA CYS 38 HA CYS 38 4.945 2.904 -1.280 244 HB2 CYS 38 2HB CYS 38 4.197 4.267 1.130 245 HB3 CYS 38 1HB CYS 38 3.496 5.144 -0.226 246 H SER 39 H SER 39 7.328 4.566 -1.863 247 HA SER 39 HA SER 39 6.135 6.964 -3.198 248 HB2 SER 39 2HB SER 39 9.071 6.528 -3.138 249 HB3 SER 39 1HB SER 39 8.144 7.979 -2.775 250 HG SER 39 HG SER 39 8.520 7.458 -0.772 251 H THR 40 H THR 40 6.199 3.997 -4.177 252 HA THR 40 HA THR 40 7.997 3.821 -6.407 253 HB THR 40 HB THR 40 5.379 2.473 -6.633 254 HG1 THR 40 HG1 THR 40 6.999 1.791 -4.413 255 HG21 THR 40 3HG2 THR 40 7.278 1.691 -7.892 256 HG22 THR 40 1HG2 THR 40 6.892 0.474 -6.674 257 HG23 THR 40 2HG2 THR 40 8.258 1.562 -6.429 258 H SER 41 H SER 41 4.750 5.239 -6.073 259 HA SER 41 HA SER 41 4.509 5.721 -8.974 260 HB2 SER 41 2HB SER 41 2.405 6.995 -7.888 261 HB3 SER 41 1HB SER 41 2.446 5.242 -8.032 262 HG SER 41 HG SER 41 1.932 5.698 -5.923 263 H SER 42 H SER 42 6.807 7.028 -8.260 264 HA SER 42 HA SER 42 6.115 9.845 -7.593 265 HB2 SER 42 2HB SER 42 8.050 8.332 -6.629 266 HB3 SER 42 1HB SER 42 8.878 8.773 -8.128 267 HG SER 42 HG SER 42 8.630 10.953 -7.563 268 H PHE 43 H PHE 43 5.364 8.624 -10.234 269 HA PHE 43 HA PHE 43 7.109 10.279 -12.029 270 HB2 PHE 43 2HB PHE 43 5.361 7.853 -12.594 271 HB3 PHE 43 1HB PHE 43 6.383 8.672 -13.775 272 HD1 PHE 43 HD1 PHE 43 8.919 8.781 -13.324 273 HD2 PHE 43 HD2 PHE 43 6.259 6.195 -11.149 274 HE1 PHE 43 HE1 PHE 43 10.850 7.397 -12.604 275 HE2 PHE 43 HE2 PHE 43 8.193 4.817 -10.432 276 HZ PHE 43 HZ PHE 43 10.482 5.412 -11.164 277 H PHE 44 H PHE 44 5.868 12.228 -11.654 278 HA PHE 44 HA PHE 44 3.021 12.140 -12.551 279 HB2 PHE 44 2HB PHE 44 4.586 13.585 -10.556 280 HB3 PHE 44 1HB PHE 44 3.577 14.666 -11.514 281 HD1 PHE 44 HD1 PHE 44 1.173 13.182 -12.111 282 HD2 PHE 44 HD2 PHE 44 3.542 13.133 -8.525 283 HE1 PHE 44 HE1 PHE 44 -0.819 12.506 -10.799 284 HE2 PHE 44 HE2 PHE 44 1.547 12.457 -7.220 285 HZ PHE 44 HZ PHE 44 -0.630 12.148 -8.356 286 H LYS 45 H LYS 45 2.474 14.504 -13.552 287 HA LYS 45 HA LYS 45 4.181 14.738 -15.963 288 HB2 LYS 45 2HB LYS 45 1.523 14.561 -15.711 289 HB3 LYS 45 1HB LYS 45 1.654 16.308 -15.495 290 HG2 LYS 45 2HG LYS 45 1.311 15.839 -17.865 291 HG3 LYS 45 1HG LYS 45 2.954 16.429 -17.637 292 HD2 LYS 45 2HD LYS 45 3.348 14.572 -18.987 293 HD3 LYS 45 1HD LYS 45 3.520 13.858 -17.386 294 HE2 LYS 45 2HE LYS 45 2.077 12.357 -18.541 295 HE3 LYS 45 1HE LYS 45 0.966 13.346 -17.571 296 HZ1 LYS 45 3HZ LYS 45 1.769 13.967 -20.367 297 HZ2 LYS 45 1HZ LYS 45 0.616 14.796 -19.441 298 HZ3 LYS 45 2HZ LYS 45 0.317 13.202 -19.939 299 H ILE 46 H ILE 46 4.468 17.073 -16.777 300 HA ILE 46 HA ILE 46 5.652 18.711 -14.609 301 HB ILE 46 HB ILE 46 5.573 18.919 -17.639 302 HG12 ILE 46 2HG1 ILE 46 6.771 16.933 -16.616 303 HG13 ILE 46 1HG1 ILE 46 7.792 17.982 -17.599 304 HG21 ILE 46 1HG2 ILE 46 6.286 21.040 -17.274 305 HG22 ILE 46 2HG2 ILE 46 7.801 20.304 -16.758 306 HG23 ILE 46 3HG2 ILE 46 6.580 20.736 -15.562 307 HD11 ILE 46 3HD1 ILE 46 8.609 19.112 -15.575 308 HD12 ILE 46 1HD1 ILE 46 8.903 17.376 -15.469 309 HD13 ILE 46 2HD1 ILE 46 7.567 18.101 -14.574 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -18.384 -3.475 0.429 2 H2 GLY 1 2H GLY 1 -17.090 -3.049 1.439 3 H3 GLY 1 3H GLY 1 -17.752 -1.906 0.370 4 HA2 GLY 1 2HA GLY 1 -19.902 -2.136 1.594 5 HA3 GLY 1 1HA GLY 1 -18.997 -3.042 2.805 6 HA HYP 2 HA HYP 2 -17.977 0.824 4.631 7 HB2 HYP 2 1HB HYP 2 -15.740 0.120 6.034 8 HB3 HYP 2 2HB HYP 2 -17.378 -0.357 6.524 9 HG HYP 2 HG HYP 2 -15.290 -1.920 5.103 10 HD22 HYP 2 1HD HYP 2 -18.088 -2.833 4.824 11 HD23 HYP 2 2HD HYP 2 -16.729 -2.956 3.689 12 HD1 HYP 2 HOD HYP 2 -15.601 -3.009 6.921 13 H SER 3 H SER 3 -15.089 -0.907 3.354 14 HA SER 3 HA SER 3 -14.167 1.715 2.234 15 HB2 SER 3 2HB SER 3 -11.891 0.250 2.533 16 HB3 SER 3 1HB SER 3 -12.517 1.325 3.777 17 HG SER 3 HG SER 3 -12.270 -0.602 4.793 18 H PHE 4 H PHE 4 -12.700 1.417 0.275 19 HA PHE 4 HA PHE 4 -13.649 -0.897 -1.389 20 HB2 PHE 4 2HB PHE 4 -12.757 1.927 -2.038 21 HB3 PHE 4 1HB PHE 4 -13.106 0.710 -3.264 22 HD1 PHE 4 HD2 PHE 4 -15.444 -0.627 -2.711 23 HD2 PHE 4 HD1 PHE 4 -14.504 3.417 -1.591 24 HE1 PHE 4 HE2 PHE 4 -17.868 -0.107 -2.551 25 HE2 PHE 4 HE1 PHE 4 -16.928 3.932 -1.430 26 HZ PHE 4 HZ PHE 4 -18.608 2.172 -1.913 27 H CYS 5 H CYS 5 -11.524 -1.558 0.208 28 HA CYS 5 HA CYS 5 -9.387 -2.105 -1.690 29 HB2 CYS 5 2HB CYS 5 -7.749 -0.751 -0.052 30 HB3 CYS 5 1HB CYS 5 -8.540 0.034 -1.417 31 H LYS 6 H LYS 6 -7.390 -3.014 -0.361 32 HA LYS 6 HA LYS 6 -8.376 -5.114 1.394 33 HB2 LYS 6 2HB LYS 6 -6.352 -4.924 -0.343 34 HB3 LYS 6 1HB LYS 6 -5.482 -4.372 1.087 35 HG2 LYS 6 2HG LYS 6 -5.150 -6.563 1.538 36 HG3 LYS 6 1HG LYS 6 -6.842 -6.581 2.034 37 HD2 LYS 6 2HD LYS 6 -7.511 -7.718 0.180 38 HD3 LYS 6 1HD LYS 6 -6.420 -6.828 -0.878 39 HE2 LYS 6 2HE LYS 6 -5.530 -9.031 1.028 40 HE3 LYS 6 1HE LYS 6 -5.807 -9.244 -0.710 41 HZ1 LYS 6 3HZ LYS 6 -4.277 -7.002 -0.629 42 HZ2 LYS 6 1HZ LYS 6 -3.694 -8.568 -0.935 43 HZ3 LYS 6 2HZ LYS 6 -3.609 -7.934 0.637 44 H ALA 7 H ALA 7 -7.418 -5.404 3.625 45 HA ALA 7 HA ALA 7 -7.391 -2.792 5.073 46 HB1 ALA 7 3HB ALA 7 -8.859 -4.955 5.501 47 HB2 ALA 7 1HB ALA 7 -8.253 -4.013 6.859 48 HB3 ALA 7 2HB ALA 7 -7.430 -5.497 6.382 49 H ASP 8 H ASP 8 -5.979 -3.051 7.203 50 HA ASP 8 HA ASP 8 -3.216 -3.083 6.386 51 HB2 ASP 8 2HB ASP 8 -4.520 -3.145 9.134 52 HB3 ASP 8 1HB ASP 8 -2.836 -2.739 8.818 53 H GLU 9 H GLU 9 -1.742 -4.454 8.121 54 HA GLU 9 HA GLU 9 -0.927 -6.556 8.795 55 HB2 GLU 9 2HB GLU 9 -3.706 -7.666 8.372 56 HB3 GLU 9 1HB GLU 9 -2.502 -8.143 9.566 57 HG2 GLU 9 2HG GLU 9 -2.776 -5.750 10.516 58 HG3 GLU 9 1HG GLU 9 -4.247 -5.685 9.543 59 H LYS 10 H LYS 10 -3.424 -7.091 6.327 60 HA LYS 10 HA LYS 10 -1.839 -9.151 4.985 61 HB2 LYS 10 2HB LYS 10 -3.833 -9.216 3.508 62 HB3 LYS 10 1HB LYS 10 -4.277 -9.273 5.209 63 HG2 LYS 10 2HG LYS 10 -4.496 -6.654 4.949 64 HG3 LYS 10 1HG LYS 10 -4.641 -7.035 3.234 65 HD2 LYS 10 2HD LYS 10 -6.882 -7.107 3.978 66 HD3 LYS 10 1HD LYS 10 -6.399 -8.804 4.003 67 HE2 LYS 10 2HE LYS 10 -5.968 -8.699 6.407 68 HE3 LYS 10 1HE LYS 10 -6.304 -6.959 6.420 69 HZ1 LYS 10 3HZ LYS 10 -8.536 -7.396 5.623 70 HZ2 LYS 10 1HZ LYS 10 -8.265 -8.260 7.054 71 HZ3 LYS 10 2HZ LYS 10 -8.226 -9.066 5.556 72 HA HYP 11 HA HYP 11 0.139 -5.779 2.642 73 HB2 HYP 11 1HB HYP 11 2.222 -7.302 1.727 74 HB3 HYP 11 2HB HYP 11 2.190 -6.607 3.358 75 HG HYP 11 HG HYP 11 2.454 -8.796 3.896 76 HD22 HYP 11 1HD HYP 11 0.582 -8.381 5.115 77 HD23 HYP 11 2HD HYP 11 -0.122 -9.612 4.051 78 HD1 HYP 11 HOD HYP 11 0.633 -9.803 1.991 79 H CYS 12 H CYS 12 1.379 -6.318 0.224 80 HA CYS 12 HA CYS 12 -0.188 -8.218 -1.374 81 HB2 CYS 12 2HB CYS 12 -1.729 -6.836 -2.341 82 HB3 CYS 12 1HB CYS 12 -1.549 -5.975 -0.821 83 H GLU 13 H GLU 13 0.191 -7.453 -3.897 84 HA GLU 13 HA GLU 13 3.118 -7.533 -4.154 85 HB2 GLU 13 2HB GLU 13 0.741 -7.795 -6.014 86 HB3 GLU 13 1HB GLU 13 2.395 -7.800 -6.627 87 HG2 GLU 13 2HG GLU 13 1.695 -10.100 -6.289 88 HG3 GLU 13 1HG GLU 13 2.901 -9.717 -5.063 89 H TYR 14 H TYR 14 0.483 -5.395 -5.245 90 HA TYR 14 HA TYR 14 2.408 -3.468 -6.373 91 HB2 TYR 14 2HB TYR 14 -0.563 -3.893 -6.298 92 HB3 TYR 14 1HB TYR 14 0.017 -2.254 -6.589 93 HD1 TYR 14 HD1 TYR 14 1.095 -5.706 -7.659 94 HD2 TYR 14 HD2 TYR 14 0.096 -1.675 -8.823 95 HE1 TYR 14 HE1 TYR 14 1.572 -6.278 -10.029 96 HE2 TYR 14 HE2 TYR 14 0.582 -2.238 -11.195 97 HH TYR 14 HH TYR 14 2.307 -4.443 -12.248 98 H HIS 15 H HIS 15 -0.303 -2.062 -4.778 99 HA HIS 15 HA HIS 15 0.801 -1.600 -2.166 100 HB2 HIS 15 2HB HIS 15 1.961 -0.108 -4.336 101 HB3 HIS 15 1HB HIS 15 1.101 1.012 -3.280 102 HD1 HIS 15 HD1 HIS 15 1.677 0.672 -0.608 103 HD2 HIS 15 HD2 HIS 15 4.441 -0.852 -3.323 104 HE1 HIS 15 HE1 HIS 15 3.821 0.290 0.687 105 H ALA 16 H ALA 16 -1.116 -0.166 -4.796 106 HA ALA 16 HA ALA 16 -2.868 1.372 -3.088 107 HB1 ALA 16 3HB ALA 16 -4.104 1.699 -5.150 108 HB2 ALA 16 1HB ALA 16 -3.344 0.286 -5.881 109 HB3 ALA 16 2HB ALA 16 -2.384 1.727 -5.540 110 H ASP 17 H ASP 17 -2.707 -2.010 -3.807 111 HA ASP 17 HA ASP 17 -5.364 -2.904 -3.795 112 HB2 ASP 17 2HB ASP 17 -3.611 -4.464 -4.096 113 HB3 ASP 17 1HB ASP 17 -2.781 -3.943 -2.631 114 H CYS 18 H CYS 18 -3.338 -2.012 -1.008 115 HA CYS 18 HA CYS 18 -5.585 -2.459 0.873 116 HB2 CYS 18 2HB CYS 18 -2.663 -1.826 0.987 117 HB3 CYS 18 1HB CYS 18 -3.647 -1.345 2.367 118 H CYS 19 H CYS 19 -6.405 -0.673 2.226 119 HA CYS 19 HA CYS 19 -7.000 1.732 0.782 120 HB2 CYS 19 2HB CYS 19 -7.068 1.196 3.771 121 HB3 CYS 19 1HB CYS 19 -8.003 2.417 2.909 122 H ASN 20 H ASN 20 -4.040 0.842 2.171 123 HA ASN 20 HA ASN 20 -3.164 3.692 2.257 124 HB2 ASN 20 2HB ASN 20 -2.506 1.514 4.282 125 HB3 ASN 20 1HB ASN 20 -1.910 3.169 4.325 126 HD21 ASN 20 1HD2 ASN 20 -4.810 1.164 4.708 127 HD22 ASN 20 2HD2 ASN 20 -5.741 2.355 5.460 128 H CYS 21 H CYS 21 -1.302 0.820 3.155 129 HA CYS 21 HA CYS 21 0.022 0.755 0.492 130 HB2 CYS 21 2HB CYS 21 1.158 1.757 3.065 131 HB3 CYS 21 1HB CYS 21 2.223 0.792 2.043 132 H CYS 22 H CYS 22 1.062 -1.320 0.094 133 HA CYS 22 HA CYS 22 0.648 -3.376 2.238 134 HB2 CYS 22 2HB CYS 22 -0.162 -4.842 0.502 135 HB3 CYS 22 1HB CYS 22 -0.954 -3.294 0.240 136 H LEU 23 H LEU 23 3.003 -2.890 2.761 137 HA LEU 23 HA LEU 23 5.016 -3.473 0.722 138 HB2 LEU 23 2HB LEU 23 4.968 -3.005 3.703 139 HB3 LEU 23 1HB LEU 23 6.458 -3.514 2.908 140 HG LEU 23 HG LEU 23 4.882 -1.217 1.773 141 HD11 LEU 23 1HD1 LEU 23 7.093 -0.539 3.609 142 HD12 LEU 23 2HD1 LEU 23 5.639 -1.153 4.396 143 HD13 LEU 23 3HD1 LEU 23 5.548 0.269 3.356 144 HD21 LEU 23 3HD2 LEU 23 7.764 -0.972 1.800 145 HD22 LEU 23 1HD2 LEU 23 6.679 -1.092 0.416 146 HD23 LEU 23 2HD2 LEU 23 7.308 -2.555 1.171 147 H SER 24 H SER 24 6.393 -5.353 0.664 148 HA SER 24 HA SER 24 5.270 -7.880 0.757 149 HB2 SER 24 2HB SER 24 8.139 -7.405 1.558 150 HB3 SER 24 1HB SER 24 7.479 -8.658 0.510 151 HG SER 24 HG SER 24 7.133 -7.143 -1.061 152 H GLY 25 H GLY 25 6.640 -6.119 3.493 153 HA2 GLY 25 2HA GLY 25 6.661 -8.350 5.314 154 HA3 GLY 25 1HA GLY 25 6.722 -6.649 5.780 155 H ILE 26 H ILE 26 4.364 -5.621 4.907 156 HA ILE 26 HA ILE 26 2.034 -7.254 5.382 157 HB ILE 26 HB ILE 26 3.567 -6.163 7.660 158 HG12 ILE 26 2HG1 ILE 26 1.453 -8.247 7.191 159 HG13 ILE 26 1HG1 ILE 26 3.097 -8.446 7.786 160 HG21 ILE 26 1HG2 ILE 26 1.783 -4.418 7.524 161 HG22 ILE 26 2HG2 ILE 26 1.660 -5.393 8.987 162 HG23 ILE 26 3HG2 ILE 26 0.565 -5.688 7.638 163 HD11 ILE 26 3HD1 ILE 26 1.955 -8.684 9.772 164 HD12 ILE 26 1HD1 ILE 26 0.641 -7.625 9.262 165 HD13 ILE 26 2HD1 ILE 26 2.178 -6.934 9.776 166 H CYS 27 H CYS 27 0.010 -5.789 5.561 167 HA CYS 27 HA CYS 27 0.417 -3.343 3.953 168 HB2 CYS 27 2HB CYS 27 -1.764 -5.147 4.677 169 HB3 CYS 27 1HB CYS 27 -2.246 -3.453 4.784 170 H ALA 28 H ALA 28 0.487 -1.290 4.779 171 HA ALA 28 HA ALA 28 -0.348 -0.843 7.619 172 HB1 ALA 28 3HB ALA 28 2.062 0.608 6.890 173 HB2 ALA 28 1HB ALA 28 2.285 -1.120 6.617 174 HB3 ALA 28 2HB ALA 28 1.822 -0.530 8.216 175 HA HYP 29 HA HYP 29 -1.924 3.089 6.380 176 HB2 HYP 29 1HB HYP 29 -0.667 4.925 7.983 177 HB3 HYP 29 2HB HYP 29 -1.943 3.836 8.560 178 HG HYP 29 HG HYP 29 1.024 3.545 8.750 179 HD22 HYP 29 1HD HYP 29 -0.821 1.215 9.126 180 HD23 HYP 29 2HD HYP 29 0.905 1.245 8.699 181 HD1 HYP 29 HOD HYP 29 -1.128 3.045 10.583 182 H SER 30 H SER 30 -1.464 4.921 5.016 183 HA SER 30 HA SER 30 1.265 4.884 3.809 184 HB2 SER 30 2HB SER 30 -0.355 6.455 2.224 185 HB3 SER 30 1HB SER 30 -0.127 4.722 2.016 186 HG SER 30 HG SER 30 -2.305 6.139 2.939 187 H THR 31 H THR 31 1.064 6.252 6.322 188 HA THR 31 HA THR 31 0.776 9.134 5.725 189 HB THR 31 HB THR 31 0.142 7.785 7.869 190 HG1 THR 31 HG1 THR 31 1.649 10.166 8.144 191 HG21 THR 31 3HG2 THR 31 1.917 7.687 9.561 192 HG22 THR 31 1HG2 THR 31 3.076 8.344 8.409 193 HG23 THR 31 2HG2 THR 31 2.388 6.738 8.149 194 H ASN 32 H ASN 32 3.046 7.251 4.610 195 HA ASN 32 HA ASN 32 5.458 8.505 5.733 196 HB2 ASN 32 2HB ASN 32 5.250 6.607 3.376 197 HB3 ASN 32 1HB ASN 32 6.600 6.814 4.489 198 HD21 ASN 32 1HD2 ASN 32 5.648 6.468 6.990 199 HD22 ASN 32 2HD2 ASN 32 4.796 5.010 7.153 200 H TRP 33 H TRP 33 7.037 9.398 4.106 201 HA TRP 33 HA TRP 33 5.644 10.818 1.860 202 HB2 TRP 33 2HB TRP 33 7.530 12.620 2.552 203 HB3 TRP 33 1HB TRP 33 5.932 12.617 3.282 204 HD1 TRP 33 HD1 TRP 33 5.803 11.015 5.629 205 HE1 TRP 33 HE1 TRP 33 7.497 11.000 7.588 206 HE3 TRP 33 HE3 TRP 33 9.899 12.952 3.266 207 HZ2 TRP 33 HZ2 TRP 33 10.253 11.701 8.049 208 HZ3 TRP 33 HZ3 TRP 33 12.027 13.234 4.495 209 HH2 TRP 33 HH2 TRP 33 12.196 12.615 6.862 210 H ILE 34 H ILE 34 8.986 10.403 3.099 211 HA ILE 34 HA ILE 34 9.773 9.485 0.348 212 HB ILE 34 HB ILE 34 11.427 11.091 2.327 213 HG12 ILE 34 2HG1 ILE 34 10.024 12.108 -0.163 214 HG13 ILE 34 1HG1 ILE 34 9.361 12.296 1.459 215 HG21 ILE 34 1HG2 ILE 34 12.766 11.561 0.243 216 HG22 ILE 34 2HG2 ILE 34 11.759 10.388 -0.607 217 HG23 ILE 34 3HG2 ILE 34 12.785 9.866 0.728 218 HD11 ILE 34 3HD1 ILE 34 10.534 14.280 1.285 219 HD12 ILE 34 1HD1 ILE 34 11.763 13.581 0.233 220 HD13 ILE 34 2HD1 ILE 34 11.792 13.246 1.964 221 H LEU 35 H LEU 35 9.605 8.663 3.635 222 HA LEU 35 HA LEU 35 11.963 7.144 4.098 223 HB2 LEU 35 2HB LEU 35 9.195 7.356 5.154 224 HB3 LEU 35 1HB LEU 35 10.000 5.822 5.478 225 HG LEU 35 HG LEU 35 11.944 7.072 6.407 226 HD11 LEU 35 1HD1 LEU 35 11.550 9.495 6.959 227 HD12 LEU 35 2HD1 LEU 35 10.119 9.446 5.932 228 HD13 LEU 35 3HD1 LEU 35 11.715 9.181 5.231 229 HD21 LEU 35 3HD2 LEU 35 10.465 6.319 8.066 230 HD22 LEU 35 1HD2 LEU 35 9.177 7.405 7.544 231 HD23 LEU 35 2HD2 LEU 35 10.577 8.046 8.405 232 HA PRO 36 HA PRO 36 11.511 3.559 1.591 233 HB2 PRO 36 2HB PRO 36 12.361 1.563 3.278 234 HB3 PRO 36 1HB PRO 36 13.458 2.728 2.506 235 HG2 PRO 36 2HG PRO 36 12.336 2.742 5.274 236 HG3 PRO 36 1HG PRO 36 13.981 3.111 4.725 237 HD2 PRO 36 2HD PRO 36 12.202 5.042 5.347 238 HD3 PRO 36 1HD PRO 36 13.422 5.258 4.071 239 H GLY 37 H GLY 37 9.424 2.962 1.132 240 HA2 GLY 37 2HA GLY 37 8.059 0.916 2.561 241 HA3 GLY 37 1HA GLY 37 7.370 2.467 3.044 242 H CYS 38 H CYS 38 5.996 3.532 1.610 243 HA CYS 38 HA CYS 38 4.884 2.027 -0.593 244 HB2 CYS 38 2HB CYS 38 4.656 4.996 -0.009 245 HB3 CYS 38 1HB CYS 38 3.491 3.993 -0.871 246 H SER 39 H SER 39 7.493 4.360 -0.362 247 HA SER 39 HA SER 39 7.619 4.686 -3.314 248 HB2 SER 39 2HB SER 39 8.067 6.385 -1.211 249 HB3 SER 39 1HB SER 39 9.705 5.831 -1.542 250 HG SER 39 HG SER 39 9.315 7.571 -2.836 251 H THR 40 H THR 40 8.625 2.931 -4.307 252 HA THR 40 HA THR 40 11.258 2.060 -3.198 253 HB THR 40 HB THR 40 9.303 0.667 -2.372 254 HG1 THR 40 HG1 THR 40 10.661 -0.919 -2.328 255 HG21 THR 40 3HG2 THR 40 7.726 0.315 -3.994 256 HG22 THR 40 1HG2 THR 40 8.753 -1.059 -4.406 257 HG23 THR 40 2HG2 THR 40 8.903 0.448 -5.302 258 H SER 41 H SER 41 10.365 3.645 -5.626 259 HA SER 41 HA SER 41 11.342 1.789 -7.774 260 HB2 SER 41 2HB SER 41 9.630 4.295 -7.913 261 HB3 SER 41 1HB SER 41 10.082 3.294 -9.292 262 HG SER 41 HG SER 41 8.775 1.740 -8.617 263 H SER 42 H SER 42 12.212 4.597 -5.959 264 HA SER 42 HA SER 42 13.665 6.122 -7.899 265 HB2 SER 42 2HB SER 42 15.002 6.548 -5.570 266 HB3 SER 42 1HB SER 42 13.446 7.277 -5.929 267 HG SER 42 HG SER 42 13.969 4.896 -4.451 268 H PHE 43 H PHE 43 15.513 5.564 -9.006 269 HA PHE 43 HA PHE 43 17.358 3.552 -7.771 270 HB2 PHE 43 2HB PHE 43 17.653 2.663 -10.092 271 HB3 PHE 43 1HB PHE 43 15.996 2.520 -9.518 272 HD1 PHE 43 HD1 PHE 43 14.229 4.029 -10.380 273 HD2 PHE 43 HD2 PHE 43 18.238 4.159 -11.905 274 HE1 PHE 43 HE1 PHE 43 13.435 5.321 -12.341 275 HE2 PHE 43 HE2 PHE 43 17.450 5.452 -13.867 276 HZ PHE 43 HZ PHE 43 15.048 6.030 -14.090 277 H PHE 44 H PHE 44 17.790 6.347 -7.499 278 HA PHE 44 HA PHE 44 20.162 6.704 -9.288 279 HB2 PHE 44 2HB PHE 44 19.592 9.085 -9.441 280 HB3 PHE 44 1HB PHE 44 18.237 8.102 -9.982 281 HD1 PHE 44 HD1 PHE 44 16.263 7.757 -8.484 282 HD2 PHE 44 HD2 PHE 44 19.447 10.449 -7.486 283 HE1 PHE 44 HE1 PHE 44 14.814 8.837 -6.778 284 HE2 PHE 44 HE2 PHE 44 18.009 11.533 -5.781 285 HZ PHE 44 HZ PHE 44 15.688 10.729 -5.430 286 H LYS 45 H LYS 45 21.380 8.857 -8.210 287 HA LYS 45 HA LYS 45 21.727 8.196 -5.298 288 HB2 LYS 45 2HB LYS 45 23.447 7.503 -7.222 289 HB3 LYS 45 1HB LYS 45 23.989 9.168 -7.013 290 HG2 LYS 45 2HG LYS 45 25.110 8.577 -5.140 291 HG3 LYS 45 1HG LYS 45 23.599 8.025 -4.414 292 HD2 LYS 45 2HD LYS 45 24.980 6.274 -6.425 293 HD3 LYS 45 1HD LYS 45 25.584 6.318 -4.770 294 HE2 LYS 45 2HE LYS 45 22.632 5.926 -5.255 295 HE3 LYS 45 1HE LYS 45 23.741 4.548 -5.396 296 HZ1 LYS 45 3HZ LYS 45 22.964 4.794 -3.120 297 HZ2 LYS 45 1HZ LYS 45 23.549 6.380 -3.053 298 HZ3 LYS 45 2HZ LYS 45 24.631 5.078 -3.206 299 H ILE 46 H ILE 46 23.837 10.368 -5.257 300 HA ILE 46 HA ILE 46 22.038 12.619 -4.699 301 HB ILE 46 HB ILE 46 25.054 12.248 -4.507 302 HG12 ILE 46 2HG1 ILE 46 23.412 12.331 -2.053 303 HG13 ILE 46 1HG1 ILE 46 23.100 10.930 -3.078 304 HG21 ILE 46 1HG2 ILE 46 25.015 14.180 -3.025 305 HG22 ILE 46 2HG2 ILE 46 23.260 14.292 -3.167 306 HG23 ILE 46 3HG2 ILE 46 24.282 14.627 -4.565 307 HD11 ILE 46 3HD1 ILE 46 24.894 10.080 -1.927 308 HD12 ILE 46 1HD1 ILE 46 25.563 11.676 -1.590 309 HD13 ILE 46 2HD1 ILE 46 25.793 10.941 -3.175 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -10.758 -6.390 -10.856 2 H2 GLY 1 2H GLY 1 -10.079 -4.981 -10.202 3 H3 GLY 1 3H GLY 1 -11.587 -4.913 -10.985 4 HA2 GLY 1 2HA GLY 1 -12.201 -6.688 -9.149 5 HA3 GLY 1 1HA GLY 1 -10.907 -5.841 -8.297 6 HA HYP 2 HA HYP 2 -14.807 -3.396 -7.779 7 HB2 HYP 2 1HB HYP 2 -14.593 -3.079 -5.073 8 HB3 HYP 2 2HB HYP 2 -15.363 -4.496 -5.814 9 HG HYP 2 HG HYP 2 -12.623 -4.189 -4.703 10 HD22 HYP 2 1HD HYP 2 -13.097 -6.425 -6.590 11 HD23 HYP 2 2HD HYP 2 -11.623 -5.490 -6.268 12 HD1 HYP 2 HOD HYP 2 -14.387 -6.438 -4.776 13 H SER 3 H SER 3 -14.854 -1.188 -6.337 14 HA SER 3 HA SER 3 -12.357 0.286 -7.044 15 HB2 SER 3 2HB SER 3 -15.258 0.830 -6.929 16 HB3 SER 3 1HB SER 3 -14.262 2.138 -6.294 17 HG SER 3 HG SER 3 -13.340 2.406 -8.225 18 H PHE 4 H PHE 4 -12.968 -1.389 -4.472 19 HA PHE 4 HA PHE 4 -12.563 0.768 -2.438 20 HB2 PHE 4 2HB PHE 4 -13.481 -2.121 -2.352 21 HB3 PHE 4 1HB PHE 4 -13.059 -1.239 -0.889 22 HD1 PHE 4 HD1 PHE 4 -14.198 1.333 -2.795 23 HD2 PHE 4 HD2 PHE 4 -15.713 -2.243 -0.951 24 HE1 PHE 4 HE1 PHE 4 -16.464 2.317 -2.745 25 HE2 PHE 4 HE2 PHE 4 -17.977 -1.254 -0.899 26 HZ PHE 4 HZ PHE 4 -18.359 1.028 -1.798 27 H CYS 5 H CYS 5 -11.193 -0.814 -0.511 28 HA CYS 5 HA CYS 5 -8.760 -1.786 -1.928 29 HB2 CYS 5 2HB CYS 5 -7.532 -0.348 -0.098 30 HB3 CYS 5 1HB CYS 5 -8.115 0.417 -1.571 31 H LYS 6 H LYS 6 -7.269 -2.951 -0.466 32 HA LYS 6 HA LYS 6 -8.680 -4.737 1.347 33 HB2 LYS 6 2HB LYS 6 -6.573 -4.948 -0.299 34 HB3 LYS 6 1HB LYS 6 -5.696 -4.537 1.171 35 HG2 LYS 6 2HG LYS 6 -5.788 -6.903 1.148 36 HG3 LYS 6 1HG LYS 6 -7.029 -6.418 2.303 37 HD2 LYS 6 2HD LYS 6 -8.266 -6.439 -0.258 38 HD3 LYS 6 1HD LYS 6 -7.332 -7.931 -0.126 39 HE2 LYS 6 2HE LYS 6 -8.416 -8.147 2.247 40 HE3 LYS 6 1HE LYS 6 -9.592 -6.965 1.634 41 HZ1 LYS 6 3HZ LYS 6 -10.143 -8.359 -0.172 42 HZ2 LYS 6 1HZ LYS 6 -10.129 -9.376 1.182 43 HZ3 LYS 6 2HZ LYS 6 -8.824 -9.391 0.101 44 H ALA 7 H ALA 7 -7.371 -5.170 3.564 45 HA ALA 7 HA ALA 7 -7.247 -2.537 4.988 46 HB1 ALA 7 3HB ALA 7 -8.774 -4.712 5.454 47 HB2 ALA 7 1HB ALA 7 -8.224 -3.651 6.750 48 HB3 ALA 7 2HB ALA 7 -7.360 -5.151 6.415 49 H ASP 8 H ASP 8 -5.755 -2.807 7.051 50 HA ASP 8 HA ASP 8 -3.043 -3.072 6.119 51 HB2 ASP 8 2HB ASP 8 -4.242 -2.896 8.903 52 HB3 ASP 8 1HB ASP 8 -2.539 -2.646 8.521 53 H GLU 9 H GLU 9 -1.506 -4.449 7.687 54 HA GLU 9 HA GLU 9 -0.810 -6.558 8.501 55 HB2 GLU 9 2HB GLU 9 -3.458 -6.337 9.221 56 HB3 GLU 9 1HB GLU 9 -3.460 -7.820 8.270 57 HG2 GLU 9 2HG GLU 9 -2.749 -8.839 10.179 58 HG3 GLU 9 1HG GLU 9 -1.183 -8.108 9.820 59 H LYS 10 H LYS 10 -3.444 -7.102 6.149 60 HA LYS 10 HA LYS 10 -2.051 -9.311 4.831 61 HB2 LYS 10 2HB LYS 10 -3.995 -8.918 3.140 62 HB3 LYS 10 1HB LYS 10 -4.422 -9.393 4.778 63 HG2 LYS 10 2HG LYS 10 -4.212 -6.491 4.483 64 HG3 LYS 10 1HG LYS 10 -5.412 -7.190 3.399 65 HD2 LYS 10 2HD LYS 10 -5.274 -7.653 6.401 66 HD3 LYS 10 1HD LYS 10 -6.422 -6.599 5.581 67 HE2 LYS 10 2HE LYS 10 -7.765 -8.350 5.011 68 HE3 LYS 10 1HE LYS 10 -6.386 -9.330 4.470 69 HZ1 LYS 10 3HZ LYS 10 -5.895 -9.979 6.662 70 HZ2 LYS 10 1HZ LYS 10 -7.583 -10.106 6.569 71 HZ3 LYS 10 2HZ LYS 10 -6.877 -8.772 7.348 72 HA HYP 11 HA HYP 11 0.232 -6.257 2.432 73 HB2 HYP 11 1HB HYP 11 2.435 -7.799 2.059 74 HB3 HYP 11 2HB HYP 11 2.104 -6.931 3.563 75 HG HYP 11 HG HYP 11 2.102 -8.931 4.568 76 HD22 HYP 11 1HD HYP 11 -0.072 -9.290 4.931 77 HD23 HYP 11 2HD HYP 11 -0.221 -10.106 3.362 78 HD1 HYP 11 HOD HYP 11 3.000 -9.795 2.494 79 H CYS 12 H CYS 12 1.709 -6.615 0.334 80 HA CYS 12 HA CYS 12 1.067 -8.803 -1.449 81 HB2 CYS 12 2HB CYS 12 -0.495 -7.637 -2.926 82 HB3 CYS 12 1HB CYS 12 -1.138 -7.605 -1.281 83 H GLU 13 H GLU 13 1.284 -7.346 -3.923 84 HA GLU 13 HA GLU 13 4.124 -6.494 -3.735 85 HB2 GLU 13 2HB GLU 13 2.615 -8.067 -5.482 86 HB3 GLU 13 1HB GLU 13 2.877 -6.572 -6.379 87 HG2 GLU 13 2HG GLU 13 5.327 -7.268 -5.069 88 HG3 GLU 13 1HG GLU 13 4.728 -8.684 -5.935 89 H TYR 14 H TYR 14 1.102 -5.276 -5.271 90 HA TYR 14 HA TYR 14 2.290 -2.681 -5.886 91 HB2 TYR 14 2HB TYR 14 -0.650 -3.359 -5.676 92 HB3 TYR 14 1HB TYR 14 0.098 -2.124 -6.682 93 HD1 TYR 14 HD2 TYR 14 2.330 -3.523 -7.979 94 HD2 TYR 14 HD1 TYR 14 -1.626 -4.911 -7.065 95 HE1 TYR 14 HE2 TYR 14 2.482 -5.146 -9.839 96 HE2 TYR 14 HE1 TYR 14 -1.483 -6.541 -8.928 97 HH TYR 14 HH TYR 14 0.734 -7.737 -10.175 98 H HIS 15 H HIS 15 1.877 -0.676 -4.818 99 HA HIS 15 HA HIS 15 1.301 -0.909 -1.927 100 HB2 HIS 15 2HB HIS 15 2.037 1.387 -3.772 101 HB3 HIS 15 1HB HIS 15 1.847 1.562 -2.028 102 HD1 HIS 15 HD1 HIS 15 3.392 -0.346 -0.641 103 HD2 HIS 15 HD2 HIS 15 4.657 0.811 -4.443 104 HE1 HIS 15 HE1 HIS 15 5.845 -0.945 -0.794 105 H ALA 16 H ALA 16 -0.838 -1.085 -4.315 106 HA ALA 16 HA ALA 16 -2.686 0.982 -3.166 107 HB1 ALA 16 3HB ALA 16 -3.773 0.900 -5.382 108 HB2 ALA 16 1HB ALA 16 -2.643 -0.357 -5.890 109 HB3 ALA 16 2HB ALA 16 -2.055 1.267 -5.532 110 H ASP 17 H ASP 17 -2.153 -2.384 -3.232 111 HA ASP 17 HA ASP 17 -4.740 -3.500 -3.545 112 HB2 ASP 17 2HB ASP 17 -2.246 -4.386 -2.914 113 HB3 ASP 17 1HB ASP 17 -3.021 -4.519 -1.337 114 H CYS 18 H CYS 18 -3.208 -2.139 -0.617 115 HA CYS 18 HA CYS 18 -5.777 -2.340 0.865 116 HB2 CYS 18 2HB CYS 18 -2.945 -1.571 1.618 117 HB3 CYS 18 1HB CYS 18 -4.288 -1.566 2.762 118 H CYS 19 H CYS 19 -6.490 -0.367 2.093 119 HA CYS 19 HA CYS 19 -6.946 1.877 0.402 120 HB2 CYS 19 2HB CYS 19 -7.011 1.667 3.420 121 HB3 CYS 19 1HB CYS 19 -7.850 2.880 2.453 122 H ASN 20 H ASN 20 -3.969 1.178 1.977 123 HA ASN 20 HA ASN 20 -3.111 4.002 1.523 124 HB2 ASN 20 2HB ASN 20 -2.554 2.463 4.080 125 HB3 ASN 20 1HB ASN 20 -2.157 4.142 3.744 126 HD21 ASN 20 1HD2 ASN 20 -4.692 1.993 4.803 127 HD22 ASN 20 2HD2 ASN 20 -5.891 3.175 4.982 128 H CYS 21 H CYS 21 -1.506 1.211 3.140 129 HA CYS 21 HA CYS 21 0.460 1.176 0.866 130 HB2 CYS 21 2HB CYS 21 0.787 1.445 3.838 131 HB3 CYS 21 1HB CYS 21 2.052 0.635 2.915 132 H CYS 22 H CYS 22 1.504 -0.926 0.564 133 HA CYS 22 HA CYS 22 0.366 -3.236 2.057 134 HB2 CYS 22 2HB CYS 22 -1.141 -2.589 0.153 135 HB3 CYS 22 1HB CYS 22 0.197 -2.877 -0.953 136 H LEU 23 H LEU 23 2.902 -2.892 2.549 137 HA LEU 23 HA LEU 23 4.709 -3.725 0.406 138 HB2 LEU 23 2HB LEU 23 4.844 -3.112 3.338 139 HB3 LEU 23 1HB LEU 23 6.189 -3.986 2.602 140 HG LEU 23 HG LEU 23 5.119 -1.491 1.296 141 HD11 LEU 23 1HD1 LEU 23 6.795 -0.185 2.540 142 HD12 LEU 23 2HD1 LEU 23 7.204 -1.615 3.489 143 HD13 LEU 23 3HD1 LEU 23 5.604 -0.888 3.634 144 HD21 LEU 23 3HD2 LEU 23 7.479 -1.371 0.505 145 HD22 LEU 23 1HD2 LEU 23 6.701 -2.882 0.038 146 HD23 LEU 23 2HD2 LEU 23 7.830 -2.855 1.391 147 H SER 24 H SER 24 5.683 -5.753 0.147 148 HA SER 24 HA SER 24 4.281 -8.096 0.427 149 HB2 SER 24 2HB SER 24 6.908 -8.910 0.794 150 HB3 SER 24 1HB SER 24 6.145 -8.557 -0.753 151 HG SER 24 HG SER 24 7.331 -6.826 -0.902 152 H GLY 25 H GLY 25 6.287 -6.645 2.947 153 HA2 GLY 25 2HA GLY 25 6.193 -8.857 4.776 154 HA3 GLY 25 1HA GLY 25 6.519 -7.180 5.222 155 H ILE 26 H ILE 26 4.237 -5.838 4.656 156 HA ILE 26 HA ILE 26 1.821 -7.245 5.472 157 HB ILE 26 HB ILE 26 3.710 -6.261 7.439 158 HG12 ILE 26 2HG1 ILE 26 0.979 -7.441 7.956 159 HG13 ILE 26 1HG1 ILE 26 2.305 -8.421 7.333 160 HG21 ILE 26 1HG2 ILE 26 2.134 -5.026 8.884 161 HG22 ILE 26 2HG2 ILE 26 0.917 -5.083 7.610 162 HG23 ILE 26 3HG2 ILE 26 2.406 -4.167 7.367 163 HD11 ILE 26 3HD1 ILE 26 2.244 -8.570 9.773 164 HD12 ILE 26 1HD1 ILE 26 2.323 -6.814 9.902 165 HD13 ILE 26 2HD1 ILE 26 3.699 -7.716 9.263 166 H CYS 27 H CYS 27 -0.055 -5.761 5.504 167 HA CYS 27 HA CYS 27 0.348 -3.364 3.820 168 HB2 CYS 27 2HB CYS 27 -1.794 -5.199 4.520 169 HB3 CYS 27 1HB CYS 27 -2.318 -3.528 4.699 170 H ALA 28 H ALA 28 -0.082 -1.215 4.551 171 HA ALA 28 HA ALA 28 -0.735 -0.835 7.428 172 HB1 ALA 28 3HB ALA 28 1.900 -0.707 6.172 173 HB2 ALA 28 1HB ALA 28 1.481 -0.695 7.885 174 HB3 ALA 28 2HB ALA 28 1.476 0.811 6.968 175 HA HYP 29 HA HYP 29 -2.580 2.913 6.063 176 HB2 HYP 29 1HB HYP 29 -1.893 4.698 8.020 177 HB3 HYP 29 2HB HYP 29 -3.067 3.392 8.280 178 HG HYP 29 HG HYP 29 -0.187 3.530 9.010 179 HD22 HYP 29 1HD HYP 29 -1.496 0.871 8.861 180 HD23 HYP 29 2HD HYP 29 0.204 1.326 8.612 181 HD1 HYP 29 HOD HYP 29 -2.339 2.203 10.325 182 H SER 30 H SER 30 -1.990 5.403 5.700 183 HA SER 30 HA SER 30 0.588 5.441 4.235 184 HB2 SER 30 2HB SER 30 -0.605 7.850 3.785 185 HB3 SER 30 1HB SER 30 -0.989 6.394 2.872 186 HG SER 30 HG SER 30 -2.926 7.080 3.608 187 H THR 31 H THR 31 0.252 5.746 7.345 188 HA THR 31 HA THR 31 1.126 8.481 7.884 189 HB THR 31 HB THR 31 1.646 6.436 9.935 190 HG1 THR 31 HG1 THR 31 -0.439 5.703 10.117 191 HG21 THR 31 3HG2 THR 31 0.187 7.884 11.253 192 HG22 THR 31 1HG2 THR 31 -0.334 8.727 9.794 193 HG23 THR 31 2HG2 THR 31 1.337 8.866 10.344 194 H ASN 32 H ASN 32 2.889 7.967 6.075 195 HA ASN 32 HA ASN 32 5.337 6.884 7.424 196 HB2 ASN 32 2HB ASN 32 4.713 7.127 4.460 197 HB3 ASN 32 1HB ASN 32 6.074 6.271 5.178 198 HD21 ASN 32 1HD2 ASN 32 4.377 5.098 7.391 199 HD22 ASN 32 2HD2 ASN 32 3.429 3.909 6.643 200 H TRP 33 H TRP 33 7.344 8.020 6.867 201 HA TRP 33 HA TRP 33 7.018 10.785 5.815 202 HB2 TRP 33 2HB TRP 33 8.639 11.324 7.900 203 HB3 TRP 33 1HB TRP 33 6.889 11.402 8.035 204 HD1 TRP 33 HD1 TRP 33 5.756 8.925 8.837 205 HE1 TRP 33 HE1 TRP 33 6.566 7.407 10.759 206 HE3 TRP 33 HE3 TRP 33 10.562 10.575 9.276 207 HZ2 TRP 33 HZ2 TRP 33 8.937 6.963 12.279 208 HZ3 TRP 33 HZ3 TRP 33 12.089 9.588 10.973 209 HH2 TRP 33 HH2 TRP 33 11.277 7.777 12.478 210 H ILE 34 H ILE 34 9.548 8.759 7.369 211 HA ILE 34 HA ILE 34 11.309 9.349 5.009 212 HB ILE 34 HB ILE 34 12.015 8.801 7.910 213 HG12 ILE 34 2HG1 ILE 34 12.144 11.393 6.338 214 HG13 ILE 34 1HG1 ILE 34 10.850 10.983 7.465 215 HG21 ILE 34 1HG2 ILE 34 13.713 9.669 5.547 216 HG22 ILE 34 2HG2 ILE 34 13.797 8.110 6.367 217 HG23 ILE 34 3HG2 ILE 34 14.273 9.580 7.217 218 HD11 ILE 34 3HD1 ILE 34 12.318 12.207 8.819 219 HD12 ILE 34 1HD1 ILE 34 13.750 11.531 8.042 220 HD13 ILE 34 2HD1 ILE 34 12.799 10.543 9.151 221 H LEU 35 H LEU 35 9.726 6.877 6.757 222 HA LEU 35 HA LEU 35 11.433 4.642 6.627 223 HB2 LEU 35 2HB LEU 35 8.510 5.190 6.596 224 HB3 LEU 35 1HB LEU 35 8.991 3.577 6.070 225 HG LEU 35 HG LEU 35 10.314 4.603 8.531 226 HD11 LEU 35 1HD1 LEU 35 7.379 3.874 8.378 227 HD12 LEU 35 2HD1 LEU 35 8.089 5.345 9.043 228 HD13 LEU 35 3HD1 LEU 35 8.307 3.806 9.876 229 HD21 LEU 35 3HD2 LEU 35 10.381 2.324 9.082 230 HD22 LEU 35 1HD2 LEU 35 10.470 2.273 7.320 231 HD23 LEU 35 2HD2 LEU 35 8.939 1.954 8.137 232 HA PRO 36 HA PRO 36 11.902 4.581 2.145 233 HB2 PRO 36 2HB PRO 36 13.835 2.636 2.115 234 HB3 PRO 36 1HB PRO 36 14.174 4.342 2.473 235 HG2 PRO 36 2HG PRO 36 13.850 2.047 4.348 236 HG3 PRO 36 1HG PRO 36 14.998 3.396 4.401 237 HD2 PRO 36 2HD PRO 36 12.760 3.294 5.939 238 HD3 PRO 36 1HD PRO 36 13.493 4.815 5.383 239 H GLY 37 H GLY 37 9.659 3.616 2.184 240 HA2 GLY 37 2HA GLY 37 9.673 0.951 1.037 241 HA3 GLY 37 1HA GLY 37 8.988 0.948 2.662 242 H CYS 38 H CYS 38 7.688 3.475 2.616 243 HA CYS 38 HA CYS 38 5.821 3.362 0.294 244 HB2 CYS 38 2HB CYS 38 5.309 1.925 2.539 245 HB3 CYS 38 1HB CYS 38 4.598 3.469 3.003 246 H SER 39 H SER 39 5.277 5.431 -0.306 247 HA SER 39 HA SER 39 5.299 7.596 1.758 248 HB2 SER 39 2HB SER 39 6.708 7.754 -0.924 249 HB3 SER 39 1HB SER 39 6.765 8.942 0.375 250 HG SER 39 HG SER 39 7.644 7.071 1.659 251 H THR 40 H THR 40 2.960 6.540 0.763 252 HA THR 40 HA THR 40 2.091 8.368 -1.439 253 HB THR 40 HB THR 40 0.127 6.634 -1.353 254 HG1 THR 40 HG1 THR 40 0.433 4.917 -0.153 255 HG21 THR 40 3HG2 THR 40 1.320 5.167 -2.839 256 HG22 THR 40 1HG2 THR 40 2.872 5.631 -2.145 257 HG23 THR 40 2HG2 THR 40 1.945 6.797 -3.093 258 H SER 41 H SER 41 -0.507 8.696 -1.072 259 HA SER 41 HA SER 41 -1.038 9.438 1.770 260 HB2 SER 41 2HB SER 41 -1.868 11.685 0.746 261 HB3 SER 41 1HB SER 41 -0.132 11.460 0.944 262 HG SER 41 HG SER 41 -0.738 12.238 -1.160 263 H SER 42 H SER 42 -3.270 9.350 2.280 264 HA SER 42 HA SER 42 -5.173 8.872 0.024 265 HB2 SER 42 2HB SER 42 -6.109 7.140 1.885 266 HB3 SER 42 1HB SER 42 -4.944 6.668 0.655 267 HG SER 42 HG SER 42 -4.515 6.228 3.033 268 H PHE 43 H PHE 43 -6.143 10.923 0.340 269 HA PHE 43 HA PHE 43 -7.078 11.689 3.040 270 HB2 PHE 43 2HB PHE 43 -6.093 13.088 0.963 271 HB3 PHE 43 1HB PHE 43 -7.810 13.208 0.581 272 HD1 PHE 43 HD1 PHE 43 -9.254 13.524 2.959 273 HD2 PHE 43 HD2 PHE 43 -5.281 14.937 2.123 274 HE1 PHE 43 HE1 PHE 43 -9.517 15.291 4.678 275 HE2 PHE 43 HE2 PHE 43 -5.549 16.703 3.838 276 HZ PHE 43 HZ PHE 43 -7.670 16.881 5.118 277 H PHE 44 H PHE 44 -8.411 10.575 -0.027 278 HA PHE 44 HA PHE 44 -11.188 11.037 0.610 279 HB2 PHE 44 2HB PHE 44 -10.119 10.674 -1.667 280 HB3 PHE 44 1HB PHE 44 -9.989 8.963 -1.254 281 HD1 PHE 44 HD2 PHE 44 -12.597 11.665 -1.007 282 HD2 PHE 44 HD1 PHE 44 -11.692 7.608 -2.083 283 HE1 PHE 44 HE2 PHE 44 -14.947 11.324 -1.679 284 HE2 PHE 44 HE1 PHE 44 -14.047 7.261 -2.757 285 HZ PHE 44 HZ PHE 44 -15.680 9.118 -2.559 286 H LYS 45 H LYS 45 -11.361 10.174 2.796 287 HA LYS 45 HA LYS 45 -11.868 7.242 2.854 288 HB2 LYS 45 2HB LYS 45 -10.435 7.000 4.823 289 HB3 LYS 45 1HB LYS 45 -9.495 7.738 3.527 290 HG2 LYS 45 2HG LYS 45 -10.105 10.004 4.527 291 HG3 LYS 45 1HG LYS 45 -10.736 9.125 5.920 292 HD2 LYS 45 2HD LYS 45 -8.419 7.955 5.963 293 HD3 LYS 45 1HD LYS 45 -7.894 9.290 4.935 294 HE2 LYS 45 2HE LYS 45 -9.142 10.737 6.824 295 HE3 LYS 45 1HE LYS 45 -8.713 9.328 7.814 296 HZ1 LYS 45 3HZ LYS 45 -6.798 10.599 7.910 297 HZ2 LYS 45 1HZ LYS 45 -6.929 11.138 6.308 298 HZ3 LYS 45 2HZ LYS 45 -6.441 9.542 6.633 299 H ILE 46 H ILE 46 -12.085 7.473 5.855 300 HA ILE 46 HA ILE 46 -14.836 8.484 5.978 301 HB ILE 46 HB ILE 46 -12.964 7.379 8.103 302 HG12 ILE 46 2HG1 ILE 46 -13.367 5.824 6.178 303 HG13 ILE 46 1HG1 ILE 46 -14.042 5.227 7.691 304 HG21 ILE 46 1HG2 ILE 46 -14.771 8.461 9.216 305 HG22 ILE 46 2HG2 ILE 46 -15.220 6.755 9.162 306 HG23 ILE 46 3HG2 ILE 46 -15.941 7.893 8.026 307 HD11 ILE 46 3HD1 ILE 46 -16.042 5.068 6.686 308 HD12 ILE 46 1HD1 ILE 46 -15.405 5.809 5.219 309 HD13 ILE 46 2HD1 ILE 46 -16.058 6.822 6.508 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -13.949 0.880 7.940 2 H2 GLY 1 2H GLY 1 -15.342 1.736 7.480 3 H3 GLY 1 3H GLY 1 -14.455 2.218 8.848 4 HA2 GLY 1 2HA GLY 1 -13.651 3.731 7.380 5 HA3 GLY 1 1HA GLY 1 -12.521 2.408 7.095 6 HA HYP 2 HA HYP 2 -14.345 3.451 3.012 7 HB2 HYP 2 1HB HYP 2 -12.052 2.938 1.596 8 HB3 HYP 2 2HB HYP 2 -12.386 4.503 2.361 9 HG HYP 2 HG HYP 2 -10.712 2.238 3.323 10 HD22 HYP 2 1HD HYP 2 -11.668 4.274 5.274 11 HD23 HYP 2 2HD HYP 2 -11.233 2.569 5.523 12 HD1 HYP 2 HOD HYP 2 -9.793 4.531 4.178 13 H SER 3 H SER 3 -15.559 1.799 2.154 14 HA SER 3 HA SER 3 -14.630 -1.004 2.397 15 HB2 SER 3 2HB SER 3 -17.224 0.005 1.222 16 HB3 SER 3 1HB SER 3 -16.917 -1.520 2.048 17 HG SER 3 HG SER 3 -17.956 0.418 3.204 18 H PHE 4 H PHE 4 -12.896 -0.120 0.632 19 HA PHE 4 HA PHE 4 -13.652 -1.388 -1.890 20 HB2 PHE 4 2HB PHE 4 -14.655 0.948 -1.960 21 HB3 PHE 4 1HB PHE 4 -13.012 1.586 -1.885 22 HD1 PHE 4 HD2 PHE 4 -14.420 -1.380 -3.720 23 HD2 PHE 4 HD1 PHE 4 -12.500 2.454 -4.009 24 HE1 PHE 4 HE2 PHE 4 -14.176 -1.682 -6.166 25 HE2 PHE 4 HE1 PHE 4 -12.262 2.143 -6.459 26 HZ PHE 4 HZ PHE 4 -13.092 0.074 -7.528 27 H CYS 5 H CYS 5 -11.630 -1.996 -0.056 28 HA CYS 5 HA CYS 5 -9.267 -2.075 -1.675 29 HB2 CYS 5 2HB CYS 5 -7.902 -0.437 -0.405 30 HB3 CYS 5 1HB CYS 5 -9.276 0.361 -1.166 31 H LYS 6 H LYS 6 -7.353 -2.895 -0.306 32 HA LYS 6 HA LYS 6 -8.332 -4.854 1.642 33 HB2 LYS 6 2HB LYS 6 -6.408 -4.885 -0.230 34 HB3 LYS 6 1HB LYS 6 -5.432 -4.323 1.122 35 HG2 LYS 6 2HG LYS 6 -5.344 -6.763 1.000 36 HG3 LYS 6 1HG LYS 6 -6.197 -6.271 2.462 37 HD2 LYS 6 2HD LYS 6 -7.924 -7.565 1.796 38 HD3 LYS 6 1HD LYS 6 -8.188 -6.420 0.481 39 HE2 LYS 6 2HE LYS 6 -6.107 -8.589 0.201 40 HE3 LYS 6 1HE LYS 6 -7.814 -8.938 -0.136 41 HZ1 LYS 6 3HZ LYS 6 -7.773 -6.845 -1.528 42 HZ2 LYS 6 1HZ LYS 6 -6.924 -8.162 -2.157 43 HZ3 LYS 6 2HZ LYS 6 -6.072 -6.886 -1.416 44 H ALA 7 H ALA 7 -7.417 -4.974 3.839 45 HA ALA 7 HA ALA 7 -7.074 -2.270 5.043 46 HB1 ALA 7 3HB ALA 7 -8.743 -4.226 5.689 47 HB2 ALA 7 1HB ALA 7 -8.007 -3.236 6.949 48 HB3 ALA 7 2HB ALA 7 -7.350 -4.831 6.586 49 H ASP 8 H ASP 8 -5.633 -2.457 7.153 50 HA ASP 8 HA ASP 8 -2.915 -2.846 6.307 51 HB2 ASP 8 2HB ASP 8 -4.293 -2.364 8.954 52 HB3 ASP 8 1HB ASP 8 -2.540 -2.495 8.833 53 H GLU 9 H GLU 9 -1.440 -4.237 7.907 54 HA GLU 9 HA GLU 9 -0.816 -6.362 8.751 55 HB2 GLU 9 2HB GLU 9 -3.181 -6.064 9.813 56 HB3 GLU 9 1HB GLU 9 -3.725 -7.161 8.546 57 HG2 GLU 9 2HG GLU 9 -1.924 -8.776 9.308 58 HG3 GLU 9 1HG GLU 9 -1.666 -7.721 10.699 59 H LYS 10 H LYS 10 -3.530 -6.842 6.473 60 HA LYS 10 HA LYS 10 -2.109 -9.011 5.080 61 HB2 LYS 10 2HB LYS 10 -4.183 -8.537 3.443 62 HB3 LYS 10 1HB LYS 10 -4.398 -9.398 4.960 63 HG2 LYS 10 2HG LYS 10 -4.633 -6.420 5.029 64 HG3 LYS 10 1HG LYS 10 -5.936 -7.318 4.253 65 HD2 LYS 10 2HD LYS 10 -4.927 -8.182 6.955 66 HD3 LYS 10 1HD LYS 10 -6.071 -6.847 6.829 67 HE2 LYS 10 2HE LYS 10 -7.803 -8.261 6.419 68 HE3 LYS 10 1HE LYS 10 -6.877 -9.146 5.191 69 HZ1 LYS 10 3HZ LYS 10 -5.754 -10.381 6.863 70 HZ2 LYS 10 1HZ LYS 10 -7.402 -10.454 7.248 71 HZ3 LYS 10 2HZ LYS 10 -6.375 -9.411 8.113 72 HA HYP 11 HA HYP 11 -0.082 -5.839 2.655 73 HB2 HYP 11 1HB HYP 11 1.981 -7.415 1.827 74 HB3 HYP 11 2HB HYP 11 1.908 -6.658 3.423 75 HG HYP 11 HG HYP 11 2.000 -8.726 4.238 76 HD22 HYP 11 1HD HYP 11 -0.079 -8.897 5.003 77 HD23 HYP 11 2HD HYP 11 -0.534 -9.747 3.513 78 HD1 HYP 11 HOD HYP 11 0.972 -9.802 1.799 79 H CYS 12 H CYS 12 1.163 -6.170 0.344 80 HA CYS 12 HA CYS 12 -0.404 -7.951 -1.466 81 HB2 CYS 12 2HB CYS 12 -1.501 -6.226 -2.580 82 HB3 CYS 12 1HB CYS 12 -1.392 -5.498 -0.982 83 H GLU 13 H GLU 13 0.491 -7.401 -3.877 84 HA GLU 13 HA GLU 13 3.434 -7.643 -3.739 85 HB2 GLU 13 2HB GLU 13 1.959 -9.091 -5.162 86 HB3 GLU 13 1HB GLU 13 1.509 -7.666 -6.100 87 HG2 GLU 13 2HG GLU 13 3.378 -7.844 -7.336 88 HG3 GLU 13 1HG GLU 13 4.377 -7.796 -5.886 89 H TYR 14 H TYR 14 1.028 -5.447 -5.243 90 HA TYR 14 HA TYR 14 3.141 -3.556 -6.100 91 HB2 TYR 14 2HB TYR 14 0.111 -3.364 -6.220 92 HB3 TYR 14 1HB TYR 14 1.251 -2.373 -7.123 93 HD1 TYR 14 HD1 TYR 14 3.240 -4.302 -8.075 94 HD2 TYR 14 HD2 TYR 14 -1.023 -4.675 -7.735 95 HE1 TYR 14 HE1 TYR 14 3.245 -5.974 -9.912 96 HE2 TYR 14 HE2 TYR 14 -1.021 -6.350 -9.566 97 HH TYR 14 HH TYR 14 1.275 -8.062 -10.507 98 H HIS 15 H HIS 15 1.050 -1.308 -5.479 99 HA HIS 15 HA HIS 15 1.398 -1.130 -2.521 100 HB2 HIS 15 2HB HIS 15 2.723 0.405 -4.663 101 HB3 HIS 15 1HB HIS 15 2.018 1.410 -3.397 102 HD1 HIS 15 HD1 HIS 15 5.165 0.590 -3.987 103 HD2 HIS 15 HD2 HIS 15 2.721 -0.654 -0.849 104 HE1 HIS 15 HE1 HIS 15 6.710 -0.082 -2.096 105 H ALA 16 H ALA 16 -0.924 -1.339 -4.637 106 HA ALA 16 HA ALA 16 -2.447 1.029 -3.584 107 HB1 ALA 16 3HB ALA 16 -1.711 1.140 -6.006 108 HB2 ALA 16 1HB ALA 16 -3.456 1.259 -5.767 109 HB3 ALA 16 2HB ALA 16 -2.740 -0.259 -6.311 110 H ASP 17 H ASP 17 -2.292 -2.224 -3.235 111 HA ASP 17 HA ASP 17 -5.058 -3.019 -3.716 112 HB2 ASP 17 2HB ASP 17 -2.905 -4.431 -3.589 113 HB3 ASP 17 1HB ASP 17 -3.052 -4.292 -1.837 114 H CYS 18 H CYS 18 -3.218 -1.864 -0.900 115 HA CYS 18 HA CYS 18 -5.627 -2.081 0.839 116 HB2 CYS 18 2HB CYS 18 -2.687 -1.538 1.173 117 HB3 CYS 18 1HB CYS 18 -3.790 -1.011 2.440 118 H CYS 19 H CYS 19 -6.372 -0.090 1.989 119 HA CYS 19 HA CYS 19 -6.598 2.212 0.237 120 HB2 CYS 19 2HB CYS 19 -7.473 1.374 2.940 121 HB3 CYS 19 1HB CYS 19 -7.334 3.117 2.707 122 H ASN 20 H ASN 20 -3.887 1.238 1.888 123 HA ASN 20 HA ASN 20 -2.856 4.024 2.020 124 HB2 ASN 20 2HB ASN 20 -2.405 1.952 4.192 125 HB3 ASN 20 1HB ASN 20 -2.013 3.664 4.249 126 HD21 ASN 20 1HD2 ASN 20 -4.635 1.318 4.508 127 HD22 ASN 20 2HD2 ASN 20 -5.814 2.427 5.044 128 H CYS 21 H CYS 21 -1.154 1.176 3.279 129 HA CYS 21 HA CYS 21 0.485 1.056 0.764 130 HB2 CYS 21 2HB CYS 21 1.241 1.700 3.583 131 HB3 CYS 21 1HB CYS 21 2.368 0.704 2.665 132 H CYS 22 H CYS 22 1.029 -1.062 0.188 133 HA CYS 22 HA CYS 22 0.544 -3.223 2.221 134 HB2 CYS 22 2HB CYS 22 -0.353 -4.569 0.274 135 HB3 CYS 22 1HB CYS 22 -1.343 -3.186 0.709 136 H LEU 23 H LEU 23 2.957 -3.037 2.501 137 HA LEU 23 HA LEU 23 4.687 -3.608 0.212 138 HB2 LEU 23 2HB LEU 23 5.037 -3.414 3.214 139 HB3 LEU 23 1HB LEU 23 6.385 -3.765 2.133 140 HG LEU 23 HG LEU 23 4.823 -1.501 1.173 141 HD11 LEU 23 1HD1 LEU 23 5.424 0.061 2.956 142 HD12 LEU 23 2HD1 LEU 23 6.141 -1.253 3.889 143 HD13 LEU 23 3HD1 LEU 23 4.401 -1.220 3.607 144 HD21 LEU 23 3HD2 LEU 23 6.999 -0.536 0.924 145 HD22 LEU 23 1HD2 LEU 23 7.196 -2.254 0.581 146 HD23 LEU 23 2HD2 LEU 23 7.687 -1.605 2.146 147 H SER 24 H SER 24 6.161 -5.507 0.173 148 HA SER 24 HA SER 24 4.779 -8.020 0.392 149 HB2 SER 24 2HB SER 24 7.452 -6.980 -0.364 150 HB3 SER 24 1HB SER 24 7.444 -8.648 0.198 151 HG SER 24 HG SER 24 6.830 -7.846 -2.178 152 H GLY 25 H GLY 25 4.158 -7.645 2.706 153 HA2 GLY 25 2HA GLY 25 5.458 -9.366 4.507 154 HA3 GLY 25 1HA GLY 25 6.069 -7.743 4.848 155 H ILE 26 H ILE 26 3.882 -6.147 4.412 156 HA ILE 26 HA ILE 26 1.435 -7.161 5.570 157 HB ILE 26 HB ILE 26 3.639 -6.422 7.313 158 HG12 ILE 26 2HG1 ILE 26 0.850 -7.139 8.194 159 HG13 ILE 26 1HG1 ILE 26 1.878 -8.332 7.402 160 HG21 ILE 26 1HG2 ILE 26 1.092 -4.813 7.673 161 HG22 ILE 26 2HG2 ILE 26 2.694 -4.164 7.322 162 HG23 ILE 26 3HG2 ILE 26 2.381 -4.952 8.868 163 HD11 ILE 26 3HD1 ILE 26 3.331 -8.455 9.168 164 HD12 ILE 26 1HD1 ILE 26 1.895 -7.957 10.063 165 HD13 ILE 26 2HD1 ILE 26 3.107 -6.760 9.605 166 H CYS 27 H CYS 27 -0.206 -5.490 5.698 167 HA CYS 27 HA CYS 27 0.361 -3.154 3.971 168 HB2 CYS 27 2HB CYS 27 -1.975 -4.684 4.909 169 HB3 CYS 27 1HB CYS 27 -2.251 -2.943 4.844 170 H ALA 28 H ALA 28 0.470 -1.038 4.711 171 HA ALA 28 HA ALA 28 0.215 -0.628 7.675 172 HB1 ALA 28 3HB ALA 28 2.417 -0.365 5.879 173 HB2 ALA 28 1HB ALA 28 2.372 0.050 7.593 174 HB3 ALA 28 2HB ALA 28 1.964 1.266 6.382 175 HA HYP 29 HA HYP 29 -2.697 2.567 6.826 176 HB2 HYP 29 1HB HYP 29 -2.133 4.308 8.872 177 HB3 HYP 29 2HB HYP 29 -3.002 2.777 9.103 178 HG HYP 29 HG HYP 29 -0.112 3.390 9.511 179 HD22 HYP 29 1HD HYP 29 -1.077 0.570 9.237 180 HD23 HYP 29 2HD HYP 29 0.538 1.260 8.956 181 HD1 HYP 29 HOD HYP 29 -0.533 2.116 11.413 182 H SER 30 H SER 30 -2.844 4.875 6.151 183 HA SER 30 HA SER 30 -0.382 5.755 4.770 184 HB2 SER 30 2HB SER 30 -3.311 6.215 4.630 185 HB3 SER 30 1HB SER 30 -2.300 7.564 4.135 186 HG SER 30 HG SER 30 -2.790 6.076 2.424 187 H THR 31 H THR 31 -0.851 6.133 7.848 188 HA THR 31 HA THR 31 -1.001 9.045 8.151 189 HB THR 31 HB THR 31 -0.095 6.866 10.080 190 HG1 THR 31 HG1 THR 31 -2.645 7.974 9.487 191 HG21 THR 31 3HG2 THR 31 -0.445 8.442 11.796 192 HG22 THR 31 1HG2 THR 31 -1.340 9.528 10.730 193 HG23 THR 31 2HG2 THR 31 0.408 9.350 10.543 194 H ASN 32 H ASN 32 1.481 6.650 7.601 195 HA ASN 32 HA ASN 32 3.704 8.289 8.550 196 HB2 ASN 32 2HB ASN 32 3.469 5.774 6.870 197 HB3 ASN 32 1HB ASN 32 5.004 6.446 7.411 198 HD21 ASN 32 1HD2 ASN 32 3.347 3.882 8.212 199 HD22 ASN 32 2HD2 ASN 32 3.372 3.940 9.907 200 H TRP 33 H TRP 33 5.566 8.468 6.765 201 HA TRP 33 HA TRP 33 4.423 9.504 4.212 202 HB2 TRP 33 2HB TRP 33 6.279 11.415 4.715 203 HB3 TRP 33 1HB TRP 33 4.609 11.565 5.243 204 HD1 TRP 33 HD1 TRP 33 4.184 10.480 7.848 205 HE1 TRP 33 HE1 TRP 33 5.667 10.833 9.925 206 HE3 TRP 33 HE3 TRP 33 8.541 11.913 5.604 207 HZ2 TRP 33 HZ2 TRP 33 8.341 11.626 10.550 208 HZ3 TRP 33 HZ3 TRP 33 10.536 12.458 6.954 209 HH2 TRP 33 HH2 TRP 33 10.438 12.316 9.441 210 H ILE 34 H ILE 34 7.594 9.268 5.882 211 HA ILE 34 HA ILE 34 8.675 7.973 3.386 212 HB ILE 34 HB ILE 34 10.079 9.611 5.528 213 HG12 ILE 34 2HG1 ILE 34 9.372 10.395 2.685 214 HG13 ILE 34 1HG1 ILE 34 8.420 10.874 4.089 215 HG21 ILE 34 1HG2 ILE 34 11.934 8.704 4.601 216 HG22 ILE 34 2HG2 ILE 34 11.552 9.642 3.158 217 HG23 ILE 34 3HG2 ILE 34 11.004 7.971 3.294 218 HD11 ILE 34 3HD1 ILE 34 11.198 11.710 3.307 219 HD12 ILE 34 1HD1 ILE 34 10.739 11.719 5.010 220 HD13 ILE 34 2HD1 ILE 34 9.850 12.707 3.851 221 H LEU 35 H LEU 35 7.926 7.426 6.643 222 HA LEU 35 HA LEU 35 10.029 5.729 7.530 223 HB2 LEU 35 2HB LEU 35 7.169 6.252 8.193 224 HB3 LEU 35 1HB LEU 35 7.860 4.756 8.816 225 HG LEU 35 HG LEU 35 9.831 6.237 9.609 226 HD11 LEU 35 1HD1 LEU 35 9.237 8.258 8.372 227 HD12 LEU 35 2HD1 LEU 35 9.126 8.586 10.100 228 HD13 LEU 35 3HD1 LEU 35 7.661 8.310 9.160 229 HD21 LEU 35 3HD2 LEU 35 8.785 6.496 11.714 230 HD22 LEU 35 1HD2 LEU 35 7.882 5.182 10.960 231 HD23 LEU 35 2HD2 LEU 35 7.209 6.810 10.986 232 HA PRO 36 HA PRO 36 7.642 2.010 5.776 233 HB2 PRO 36 2HB PRO 36 5.425 2.421 4.231 234 HB3 PRO 36 1HB PRO 36 5.358 2.288 5.999 235 HG2 PRO 36 2HG PRO 36 5.195 4.687 4.275 236 HG3 PRO 36 1HG PRO 36 4.426 4.360 5.834 237 HD2 PRO 36 2HD PRO 36 6.668 5.948 5.444 238 HD3 PRO 36 1HD PRO 36 6.158 5.245 6.991 239 H GLY 37 H GLY 37 7.823 0.917 3.659 240 HA2 GLY 37 2HA GLY 37 9.471 2.390 1.772 241 HA3 GLY 37 1HA GLY 37 8.962 0.712 1.597 242 H CYS 38 H CYS 38 7.257 3.866 1.731 243 HA CYS 38 HA CYS 38 6.361 3.742 -1.010 244 HB2 CYS 38 2HB CYS 38 3.942 3.239 -0.467 245 HB3 CYS 38 1HB CYS 38 5.025 1.876 -0.207 246 H SER 39 H SER 39 7.247 5.939 -0.547 247 HA SER 39 HA SER 39 5.824 7.718 1.278 248 HB2 SER 39 2HB SER 39 7.303 9.328 -0.344 249 HB3 SER 39 1HB SER 39 7.978 8.430 1.007 250 HG SER 39 HG SER 39 8.310 8.094 -1.700 251 H THR 40 H THR 40 3.783 6.744 -0.192 252 HA THR 40 HA THR 40 3.247 8.467 -2.534 253 HB THR 40 HB THR 40 0.988 7.078 -2.206 254 HG1 THR 40 HG1 THR 40 1.172 5.909 -0.461 255 HG21 THR 40 3HG2 THR 40 1.830 5.928 -3.963 256 HG22 THR 40 1HG2 THR 40 3.057 5.171 -2.949 257 HG23 THR 40 2HG2 THR 40 3.363 6.750 -3.671 258 H SER 41 H SER 41 2.248 8.153 0.841 259 HA SER 41 HA SER 41 0.260 10.347 0.543 260 HB2 SER 41 2HB SER 41 0.969 8.793 3.057 261 HB3 SER 41 1HB SER 41 -0.568 9.538 2.626 262 HG SER 41 HG SER 41 -0.598 7.255 2.322 263 H SER 42 H SER 42 0.805 12.411 1.160 264 HA SER 42 HA SER 42 3.238 12.803 2.873 265 HB2 SER 42 2HB SER 42 2.318 13.948 0.279 266 HB3 SER 42 1HB SER 42 3.044 15.091 1.405 267 HG SER 42 HG SER 42 4.162 12.701 0.335 268 H PHE 43 H PHE 43 3.143 14.880 4.139 269 HA PHE 43 HA PHE 43 0.313 15.532 4.915 270 HB2 PHE 43 2HB PHE 43 1.398 16.153 7.110 271 HB3 PHE 43 1HB PHE 43 1.605 14.459 6.675 272 HD1 PHE 43 HD1 PHE 43 3.309 17.793 6.555 273 HD2 PHE 43 HD2 PHE 43 3.783 13.523 6.466 274 HE1 PHE 43 HE1 PHE 43 5.768 18.062 6.681 275 HE2 PHE 43 HE2 PHE 43 6.245 13.798 6.594 276 HZ PHE 43 HZ PHE 43 7.230 16.065 6.699 277 H PHE 44 H PHE 44 2.205 16.850 2.793 278 HA PHE 44 HA PHE 44 2.095 19.621 3.922 279 HB2 PHE 44 2HB PHE 44 4.218 18.170 2.935 280 HB3 PHE 44 1HB PHE 44 3.726 19.091 1.517 281 HD1 PHE 44 HD1 PHE 44 2.641 21.555 2.931 282 HD2 PHE 44 HD2 PHE 44 6.246 19.287 3.515 283 HE1 PHE 44 HE1 PHE 44 3.750 23.565 3.862 284 HE2 PHE 44 HE2 PHE 44 7.354 21.302 4.445 285 HZ PHE 44 HZ PHE 44 6.110 23.437 4.615 286 H LYS 45 H LYS 45 2.605 20.504 1.008 287 HA LYS 45 HA LYS 45 -0.215 20.176 0.036 288 HB2 LYS 45 2HB LYS 45 0.936 22.439 0.915 289 HB3 LYS 45 1HB LYS 45 1.528 22.481 -0.745 290 HG2 LYS 45 2HG LYS 45 -0.515 22.969 -1.590 291 HG3 LYS 45 1HG LYS 45 -1.330 21.805 -0.545 292 HD2 LYS 45 2HD LYS 45 -0.218 24.280 0.718 293 HD3 LYS 45 1HD LYS 45 -1.692 24.435 -0.240 294 HE2 LYS 45 2HE LYS 45 -2.789 22.694 1.117 295 HE3 LYS 45 1HE LYS 45 -1.306 22.485 2.069 296 HZ1 LYS 45 3HZ LYS 45 -2.886 24.048 3.110 297 HZ2 LYS 45 1HZ LYS 45 -2.761 25.062 1.755 298 HZ3 LYS 45 2HZ LYS 45 -1.405 24.784 2.734 299 H ILE 46 H ILE 46 0.428 21.510 -2.484 300 HA ILE 46 HA ILE 46 2.125 19.413 -3.801 301 HB ILE 46 HB ILE 46 -0.405 20.834 -4.704 302 HG12 ILE 46 2HG1 ILE 46 0.063 17.881 -4.176 303 HG13 ILE 46 1HG1 ILE 46 -0.613 18.980 -2.973 304 HG21 ILE 46 1HG2 ILE 46 0.422 18.526 -6.275 305 HG22 ILE 46 2HG2 ILE 46 1.646 19.794 -6.294 306 HG23 ILE 46 3HG2 ILE 46 0.000 20.151 -6.817 307 HD11 ILE 46 3HD1 ILE 46 -1.780 18.545 -5.740 308 HD12 ILE 46 1HD1 ILE 46 -2.491 19.505 -4.442 309 HD13 ILE 46 2HD1 ILE 46 -2.365 17.753 -4.280 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -11.694 3.788 -11.581 2 H2 GLY 1 2H GLY 1 -11.682 2.436 -12.607 3 H3 GLY 1 3H GLY 1 -11.360 2.251 -10.950 4 HA2 GLY 1 2HA GLY 1 -13.927 3.419 -11.772 5 HA3 GLY 1 1HA GLY 1 -13.705 1.674 -11.893 6 HA HYP 2 HA HYP 2 -14.871 2.798 -7.528 7 HB2 HYP 2 1HB HYP 2 -17.013 1.108 -7.346 8 HB3 HYP 2 2HB HYP 2 -17.145 2.772 -7.944 9 HG HYP 2 HG HYP 2 -16.965 0.225 -9.470 10 HD22 HYP 2 1HD HYP 2 -16.323 2.794 -10.834 11 HD23 HYP 2 2HD HYP 2 -15.750 1.146 -11.171 12 HD1 HYP 2 HOD HYP 2 -18.637 1.214 -10.621 13 H SER 3 H SER 3 -12.738 1.535 -7.439 14 HA SER 3 HA SER 3 -13.059 -1.387 -6.973 15 HB2 SER 3 2HB SER 3 -10.458 -1.079 -6.851 16 HB3 SER 3 1HB SER 3 -11.266 -0.920 -8.410 17 HG SER 3 HG SER 3 -10.631 1.227 -6.643 18 H PHE 4 H PHE 4 -12.960 -2.223 -4.908 19 HA PHE 4 HA PHE 4 -12.868 -0.394 -2.624 20 HB2 PHE 4 2HB PHE 4 -13.711 -2.224 -1.463 21 HB3 PHE 4 1HB PHE 4 -14.152 -2.695 -3.101 22 HD1 PHE 4 HD1 PHE 4 -12.257 -4.035 -4.419 23 HD2 PHE 4 HD2 PHE 4 -12.540 -3.733 -0.143 24 HE1 PHE 4 HE1 PHE 4 -10.886 -6.082 -4.186 25 HE2 PHE 4 HE2 PHE 4 -11.166 -5.784 0.089 26 HZ PHE 4 HZ PHE 4 -10.339 -6.960 -1.930 27 H CYS 5 H CYS 5 -11.352 -1.304 -0.675 28 HA CYS 5 HA CYS 5 -8.636 -1.846 -1.819 29 HB2 CYS 5 2HB CYS 5 -7.734 -0.077 -0.571 30 HB3 CYS 5 1HB CYS 5 -9.263 0.581 -1.145 31 H LYS 6 H LYS 6 -7.134 -2.786 -0.273 32 HA LYS 6 HA LYS 6 -8.410 -4.768 1.489 33 HB2 LYS 6 2HB LYS 6 -6.349 -4.839 -0.227 34 HB3 LYS 6 1HB LYS 6 -5.447 -4.376 1.211 35 HG2 LYS 6 2HG LYS 6 -5.434 -6.783 1.052 36 HG3 LYS 6 1HG LYS 6 -6.470 -6.326 2.405 37 HD2 LYS 6 2HD LYS 6 -8.036 -7.654 1.428 38 HD3 LYS 6 1HD LYS 6 -8.233 -6.324 0.286 39 HE2 LYS 6 2HE LYS 6 -7.472 -7.644 -1.391 40 HE3 LYS 6 1HE LYS 6 -5.941 -7.866 -0.519 41 HZ1 LYS 6 3HZ LYS 6 -6.979 -9.587 0.823 42 HZ2 LYS 6 1HZ LYS 6 -7.101 -9.975 -0.821 43 HZ3 LYS 6 2HZ LYS 6 -8.454 -9.375 0.007 44 H ALA 7 H ALA 7 -7.160 -5.125 3.683 45 HA ALA 7 HA ALA 7 -7.005 -2.491 5.100 46 HB1 ALA 7 3HB ALA 7 -8.094 -3.558 6.812 47 HB2 ALA 7 1HB ALA 7 -7.158 -5.046 6.601 48 HB3 ALA 7 2HB ALA 7 -8.534 -4.708 5.553 49 H ASP 8 H ASP 8 -5.614 -2.941 7.247 50 HA ASP 8 HA ASP 8 -2.862 -3.111 6.398 51 HB2 ASP 8 2HB ASP 8 -4.227 -3.025 9.105 52 HB3 ASP 8 1HB ASP 8 -2.482 -2.902 8.886 53 H GLU 9 H GLU 9 -1.392 -4.540 8.021 54 HA GLU 9 HA GLU 9 -0.627 -6.676 8.682 55 HB2 GLU 9 2HB GLU 9 -3.492 -7.602 8.406 56 HB3 GLU 9 1HB GLU 9 -2.248 -8.233 9.478 57 HG2 GLU 9 2HG GLU 9 -2.754 -5.389 9.912 58 HG3 GLU 9 1HG GLU 9 -4.192 -6.377 10.151 59 H LYS 10 H LYS 10 -3.282 -7.167 6.351 60 HA LYS 10 HA LYS 10 -1.888 -9.303 4.940 61 HB2 LYS 10 2HB LYS 10 -3.878 -9.067 3.414 62 HB3 LYS 10 1HB LYS 10 -4.322 -9.189 5.114 63 HG2 LYS 10 2HG LYS 10 -3.906 -6.430 4.475 64 HG3 LYS 10 1HG LYS 10 -5.003 -7.127 3.284 65 HD2 LYS 10 2HD LYS 10 -5.341 -7.491 6.277 66 HD3 LYS 10 1HD LYS 10 -6.135 -6.210 5.362 67 HE2 LYS 10 2HE LYS 10 -7.717 -7.643 4.564 68 HE3 LYS 10 1HE LYS 10 -6.489 -8.843 4.116 69 HZ1 LYS 10 3HZ LYS 10 -7.424 -8.332 6.891 70 HZ2 LYS 10 1HZ LYS 10 -6.317 -9.523 6.409 71 HZ3 LYS 10 2HZ LYS 10 -7.944 -9.623 5.925 72 HA HYP 11 HA HYP 11 0.343 -6.127 2.600 73 HB2 HYP 11 1HB HYP 11 2.514 -7.645 2.015 74 HB3 HYP 11 2HB HYP 11 2.277 -6.880 3.595 75 HG HYP 11 HG HYP 11 2.382 -8.950 4.425 76 HD22 HYP 11 1HD HYP 11 0.244 -9.157 5.033 77 HD23 HYP 11 2HD HYP 11 -0.092 -10.023 3.525 78 HD1 HYP 11 HOD HYP 11 2.927 -9.679 2.128 79 H CYS 12 H CYS 12 1.630 -6.418 0.339 80 HA CYS 12 HA CYS 12 0.754 -8.551 -1.426 81 HB2 CYS 12 2HB CYS 12 -1.100 -7.627 -2.440 82 HB3 CYS 12 1HB CYS 12 -1.278 -6.923 -0.839 83 H GLU 13 H GLU 13 0.938 -7.433 -3.894 84 HA GLU 13 HA GLU 13 3.704 -6.328 -3.900 85 HB2 GLU 13 2HB GLU 13 3.466 -6.941 -6.397 86 HB3 GLU 13 1HB GLU 13 3.489 -8.273 -5.250 87 HG2 GLU 13 2HG GLU 13 0.792 -7.185 -5.853 88 HG3 GLU 13 1HG GLU 13 1.602 -7.981 -7.198 89 H TYR 14 H TYR 14 0.434 -5.569 -5.091 90 HA TYR 14 HA TYR 14 1.403 -2.981 -6.188 91 HB2 TYR 14 2HB TYR 14 -1.020 -4.722 -6.421 92 HB3 TYR 14 1HB TYR 14 -1.227 -2.993 -6.700 93 HD1 TYR 14 HD2 TYR 14 0.681 -6.002 -7.771 94 HD2 TYR 14 HD1 TYR 14 -0.402 -1.945 -8.684 95 HE1 TYR 14 HE2 TYR 14 1.668 -6.244 -10.028 96 HE2 TYR 14 HE1 TYR 14 0.588 -2.192 -10.940 97 HH TYR 14 HH TYR 14 1.068 -4.690 -12.486 98 H HIS 15 H HIS 15 1.750 -1.651 -4.419 99 HA HIS 15 HA HIS 15 0.640 -1.475 -1.933 100 HB2 HIS 15 2HB HIS 15 1.261 0.740 -3.898 101 HB3 HIS 15 1HB HIS 15 0.959 1.034 -2.187 102 HD1 HIS 15 HD1 HIS 15 3.737 1.547 -3.621 103 HD2 HIS 15 HD2 HIS 15 2.786 -1.841 -1.379 104 HE1 HIS 15 HE1 HIS 15 5.934 0.570 -2.821 105 H ALA 16 H ALA 16 -0.959 -0.259 -4.876 106 HA ALA 16 HA ALA 16 -3.132 1.110 -3.724 107 HB1 ALA 16 3HB ALA 16 -2.969 -0.582 -6.234 108 HB2 ALA 16 1HB ALA 16 -2.544 1.125 -6.100 109 HB3 ALA 16 2HB ALA 16 -4.222 0.615 -5.908 110 H ASP 17 H ASP 17 -2.630 -2.384 -3.933 111 HA ASP 17 HA ASP 17 -5.255 -3.381 -3.731 112 HB2 ASP 17 2HB ASP 17 -3.141 -4.701 -3.854 113 HB3 ASP 17 1HB ASP 17 -2.786 -4.244 -2.189 114 H CYS 18 H CYS 18 -3.189 -2.056 -1.151 115 HA CYS 18 HA CYS 18 -5.418 -2.247 0.817 116 HB2 CYS 18 2HB CYS 18 -2.456 -1.805 0.831 117 HB3 CYS 18 1HB CYS 18 -3.381 -1.121 2.166 118 H CYS 19 H CYS 19 -6.224 -0.303 1.870 119 HA CYS 19 HA CYS 19 -6.600 1.998 0.233 120 HB2 CYS 19 2HB CYS 19 -7.124 1.134 2.991 121 HB3 CYS 19 1HB CYS 19 -6.959 2.882 2.818 122 H ASN 20 H ASN 20 -3.747 1.097 1.888 123 HA ASN 20 HA ASN 20 -2.708 3.892 1.657 124 HB2 ASN 20 2HB ASN 20 -2.123 1.893 3.878 125 HB3 ASN 20 1HB ASN 20 -1.544 3.554 3.785 126 HD21 ASN 20 1HD2 ASN 20 -4.515 1.599 4.147 127 HD22 ASN 20 2HD2 ASN 20 -5.424 2.829 4.871 128 H CYS 21 H CYS 21 -1.185 0.831 2.714 129 HA CYS 21 HA CYS 21 0.320 0.584 0.172 130 HB2 CYS 21 2HB CYS 21 1.386 1.708 2.728 131 HB3 CYS 21 1HB CYS 21 2.444 0.624 1.827 132 H CYS 22 H CYS 22 1.101 -1.550 -0.099 133 HA CYS 22 HA CYS 22 0.686 -3.407 2.225 134 HB2 CYS 22 2HB CYS 22 -0.140 -5.031 0.667 135 HB3 CYS 22 1HB CYS 22 -0.900 -3.517 0.197 136 H LEU 23 H LEU 23 2.954 -3.084 2.848 137 HA LEU 23 HA LEU 23 5.093 -3.630 0.938 138 HB2 LEU 23 2HB LEU 23 4.856 -3.238 3.928 139 HB3 LEU 23 1HB LEU 23 6.398 -3.691 3.198 140 HG LEU 23 HG LEU 23 5.774 -1.670 1.546 141 HD11 LEU 23 1HD1 LEU 23 4.811 0.163 3.078 142 HD12 LEU 23 2HD1 LEU 23 4.258 -1.156 4.109 143 HD13 LEU 23 3HD1 LEU 23 3.675 -1.030 2.449 144 HD21 LEU 23 3HD2 LEU 23 7.797 -1.903 3.001 145 HD22 LEU 23 1HD2 LEU 23 6.871 -1.233 4.341 146 HD23 LEU 23 2HD2 LEU 23 7.201 -0.245 2.917 147 H SER 24 H SER 24 6.353 -5.528 0.804 148 HA SER 24 HA SER 24 5.231 -8.022 0.826 149 HB2 SER 24 2HB SER 24 8.039 -7.770 1.825 150 HB3 SER 24 1HB SER 24 7.407 -8.780 0.526 151 HG SER 24 HG SER 24 8.378 -7.216 -0.580 152 H GLY 25 H GLY 25 6.724 -6.491 3.647 153 HA2 GLY 25 2HA GLY 25 6.470 -8.756 5.391 154 HA3 GLY 25 1HA GLY 25 6.684 -7.088 5.916 155 H ILE 26 H ILE 26 4.419 -5.818 5.051 156 HA ILE 26 HA ILE 26 1.969 -7.306 5.541 157 HB ILE 26 HB ILE 26 3.604 -6.318 7.758 158 HG12 ILE 26 2HG1 ILE 26 0.967 -7.677 8.114 159 HG13 ILE 26 1HG1 ILE 26 2.264 -8.559 7.309 160 HG21 ILE 26 1HG2 ILE 26 2.155 -4.345 7.680 161 HG22 ILE 26 2HG2 ILE 26 1.784 -5.325 9.098 162 HG23 ILE 26 3HG2 ILE 26 0.727 -5.377 7.685 163 HD11 ILE 26 3HD1 ILE 26 3.633 -8.523 9.200 164 HD12 ILE 26 1HD1 ILE 26 2.031 -8.689 9.920 165 HD13 ILE 26 2HD1 ILE 26 2.819 -7.113 9.882 166 H CYS 27 H CYS 27 0.052 -5.778 5.602 167 HA CYS 27 HA CYS 27 0.552 -3.378 3.954 168 HB2 CYS 27 2HB CYS 27 -1.681 -5.099 4.693 169 HB3 CYS 27 1HB CYS 27 -2.115 -3.394 4.824 170 H ALA 28 H ALA 28 0.517 -1.251 4.707 171 HA ALA 28 HA ALA 28 -0.144 -0.831 7.599 172 HB1 ALA 28 3HB ALA 28 2.348 -0.374 6.032 173 HB2 ALA 28 1HB ALA 28 2.159 -0.783 7.739 174 HB3 ALA 28 2HB ALA 28 1.916 0.878 7.198 175 HA HYP 29 HA HYP 29 -2.374 2.690 6.181 176 HB2 HYP 29 1HB HYP 29 -2.026 4.441 8.255 177 HB3 HYP 29 2HB HYP 29 -3.064 3.007 8.363 178 HG HYP 29 HG HYP 29 -0.266 3.386 9.322 179 HD22 HYP 29 1HD HYP 29 -1.343 0.644 8.949 180 HD23 HYP 29 2HD HYP 29 0.334 1.226 8.882 181 HD1 HYP 29 HOD HYP 29 -1.985 3.390 10.876 182 H SER 30 H SER 30 -2.094 4.975 5.481 183 HA SER 30 HA SER 30 0.564 5.438 4.386 184 HB2 SER 30 2HB SER 30 -2.012 7.029 4.420 185 HB3 SER 30 1HB SER 30 -0.581 7.491 3.497 186 HG SER 30 HG SER 30 -1.330 6.176 2.045 187 H THR 31 H THR 31 -0.551 6.014 7.499 188 HA THR 31 HA THR 31 0.581 8.692 7.873 189 HB THR 31 HB THR 31 -1.352 7.532 9.114 190 HG1 THR 31 HG1 THR 31 -0.895 8.700 10.930 191 HG21 THR 31 3HG2 THR 31 -0.921 5.960 10.785 192 HG22 THR 31 1HG2 THR 31 0.779 6.413 10.912 193 HG23 THR 31 2HG2 THR 31 0.221 5.470 9.531 194 H ASN 32 H ASN 32 2.580 7.264 6.661 195 HA ASN 32 HA ASN 32 4.365 6.181 8.764 196 HB2 ASN 32 2HB ASN 32 4.068 6.049 5.811 197 HB3 ASN 32 1HB ASN 32 5.724 5.985 6.419 198 HD21 ASN 32 1HD2 ASN 32 2.653 4.230 6.344 199 HD22 ASN 32 2HD2 ASN 32 3.247 2.812 7.073 200 H TRP 33 H TRP 33 6.774 6.906 8.376 201 HA TRP 33 HA TRP 33 6.921 9.803 7.736 202 HB2 TRP 33 2HB TRP 33 8.320 9.938 9.963 203 HB3 TRP 33 1HB TRP 33 6.565 9.994 10.032 204 HD1 TRP 33 HD1 TRP 33 5.517 7.239 10.186 205 HE1 TRP 33 HE1 TRP 33 6.262 5.481 11.920 206 HE3 TRP 33 HE3 TRP 33 10.007 9.236 11.600 207 HZ2 TRP 33 HZ2 TRP 33 8.449 5.010 13.694 208 HZ3 TRP 33 HZ3 TRP 33 11.386 8.111 13.328 209 HH2 TRP 33 HH2 TRP 33 10.617 6.009 14.373 210 H ILE 34 H ILE 34 9.084 7.293 9.154 211 HA ILE 34 HA ILE 34 11.192 8.130 7.211 212 HB ILE 34 HB ILE 34 12.635 6.726 8.702 213 HG12 ILE 34 2HG1 ILE 34 10.348 6.522 10.639 214 HG13 ILE 34 1HG1 ILE 34 10.493 5.311 9.366 215 HG21 ILE 34 1HG2 ILE 34 10.970 8.988 9.742 216 HG22 ILE 34 2HG2 ILE 34 12.697 8.936 9.393 217 HG23 ILE 34 3HG2 ILE 34 12.069 8.165 10.850 218 HD11 ILE 34 3HD1 ILE 34 11.690 4.885 11.644 219 HD12 ILE 34 1HD1 ILE 34 12.884 6.034 11.042 220 HD13 ILE 34 2HD1 ILE 34 12.563 4.546 10.151 221 H LEU 35 H LEU 35 8.703 6.370 6.662 222 HA LEU 35 HA LEU 35 10.152 3.960 5.610 223 HB2 LEU 35 2HB LEU 35 7.651 4.426 7.108 224 HB3 LEU 35 1HB LEU 35 7.480 3.321 5.744 225 HG LEU 35 HG LEU 35 9.569 2.128 6.649 226 HD11 LEU 35 1HD1 LEU 35 10.447 3.731 8.175 227 HD12 LEU 35 2HD1 LEU 35 9.765 2.459 9.187 228 HD13 LEU 35 3HD1 LEU 35 8.877 3.965 8.951 229 HD21 LEU 35 3HD2 LEU 35 7.192 1.316 6.877 230 HD22 LEU 35 1HD2 LEU 35 7.122 2.130 8.442 231 HD23 LEU 35 2HD2 LEU 35 8.251 0.798 8.188 232 HA PRO 36 HA PRO 36 8.233 6.425 2.112 233 HB2 PRO 36 2HB PRO 36 10.540 7.016 0.770 234 HB3 PRO 36 1HB PRO 36 9.877 8.057 2.045 235 HG2 PRO 36 2HG PRO 36 12.140 6.137 2.160 236 HG3 PRO 36 1HG PRO 36 11.924 7.686 2.987 237 HD2 PRO 36 2HD PRO 36 11.550 5.210 4.152 238 HD3 PRO 36 1HD PRO 36 10.849 6.730 4.745 239 H GLY 37 H GLY 37 7.955 3.768 2.148 240 HA2 GLY 37 2HA GLY 37 9.543 2.654 -0.128 241 HA3 GLY 37 1HA GLY 37 8.706 1.683 1.079 242 H CYS 38 H CYS 38 7.154 4.493 -0.372 243 HA CYS 38 HA CYS 38 5.486 2.667 -2.078 244 HB2 CYS 38 2HB CYS 38 4.691 4.675 0.032 245 HB3 CYS 38 1HB CYS 38 3.580 4.250 -1.267 246 H SER 39 H SER 39 7.672 4.442 -2.889 247 HA SER 39 HA SER 39 6.143 6.544 -4.389 248 HB2 SER 39 2HB SER 39 9.091 6.750 -3.986 249 HB3 SER 39 1HB SER 39 7.868 8.014 -3.962 250 HG SER 39 HG SER 39 8.993 6.758 -1.907 251 H THR 40 H THR 40 5.839 5.589 -6.405 252 HA THR 40 HA THR 40 8.294 4.572 -7.805 253 HB THR 40 HB THR 40 6.541 3.045 -8.976 254 HG1 THR 40 HG1 THR 40 4.591 3.500 -8.366 255 HG21 THR 40 3HG2 THR 40 6.416 1.684 -6.642 256 HG22 THR 40 1HG2 THR 40 7.666 2.856 -6.227 257 HG23 THR 40 2HG2 THR 40 7.883 1.786 -7.613 258 H SER 41 H SER 41 4.944 5.751 -8.384 259 HA SER 41 HA SER 41 5.581 6.670 -11.086 260 HB2 SER 41 2HB SER 41 3.193 7.288 -9.310 261 HB3 SER 41 1HB SER 41 3.250 7.347 -11.070 262 HG SER 41 HG SER 41 2.376 5.389 -10.555 263 H SER 42 H SER 42 7.228 8.269 -10.895 264 HA SER 42 HA SER 42 6.358 10.824 -9.586 265 HB2 SER 42 2HB SER 42 8.299 9.180 -8.614 266 HB3 SER 42 1HB SER 42 9.256 10.177 -9.704 267 HG SER 42 HG SER 42 9.104 11.119 -7.630 268 H PHE 43 H PHE 43 8.889 9.534 -11.800 269 HA PHE 43 HA PHE 43 8.300 11.829 -13.652 270 HB2 PHE 43 2HB PHE 43 10.846 11.623 -14.130 271 HB3 PHE 43 1HB PHE 43 10.367 12.366 -12.609 272 HD1 PHE 43 HD1 PHE 43 11.296 9.053 -14.092 273 HD2 PHE 43 HD2 PHE 43 11.182 11.529 -10.578 274 HE1 PHE 43 HE1 PHE 43 12.581 7.329 -12.848 275 HE2 PHE 43 HE2 PHE 43 12.469 9.812 -9.318 276 HZ PHE 43 HZ PHE 43 13.177 7.702 -10.452 277 H PHE 44 H PHE 44 7.322 9.002 -13.694 278 HA PHE 44 HA PHE 44 8.780 7.766 -15.953 279 HB2 PHE 44 2HB PHE 44 7.314 6.863 -13.750 280 HB3 PHE 44 1HB PHE 44 6.237 6.580 -15.116 281 HD1 PHE 44 HD1 PHE 44 7.308 5.454 -17.225 282 HD2 PHE 44 HD2 PHE 44 9.027 5.340 -13.290 283 HE1 PHE 44 HE1 PHE 44 8.644 3.466 -17.865 284 HE2 PHE 44 HE2 PHE 44 10.363 3.351 -13.930 285 HZ PHE 44 HZ PHE 44 10.167 2.412 -16.217 286 H LYS 45 H LYS 45 8.095 8.014 -18.065 287 HA LYS 45 HA LYS 45 5.435 9.331 -18.519 288 HB2 LYS 45 2HB LYS 45 7.931 10.240 -19.116 289 HB3 LYS 45 1HB LYS 45 7.544 9.387 -20.611 290 HG2 LYS 45 2HG LYS 45 6.770 11.661 -20.872 291 HG3 LYS 45 1HG LYS 45 5.341 10.647 -20.648 292 HD2 LYS 45 2HD LYS 45 4.843 12.268 -19.086 293 HD3 LYS 45 1HD LYS 45 5.835 11.225 -18.066 294 HE2 LYS 45 2HE LYS 45 7.817 12.609 -18.516 295 HE3 LYS 45 1HE LYS 45 6.869 13.644 -19.603 296 HZ1 LYS 45 3HZ LYS 45 6.502 13.254 -16.678 297 HZ2 LYS 45 1HZ LYS 45 5.297 13.935 -17.658 298 HZ3 LYS 45 2HZ LYS 45 6.802 14.701 -17.508 299 H ILE 46 H ILE 46 5.544 8.863 -21.375 300 HA ILE 46 HA ILE 46 5.093 5.905 -21.490 301 HB ILE 46 HB ILE 46 3.652 8.224 -22.824 302 HG12 ILE 46 2HG1 ILE 46 3.204 7.967 -20.385 303 HG13 ILE 46 1HG1 ILE 46 1.779 7.643 -21.369 304 HG21 ILE 46 1HG2 ILE 46 2.000 6.130 -23.176 305 HG22 ILE 46 2HG2 ILE 46 3.542 5.279 -23.195 306 HG23 ILE 46 3HG2 ILE 46 3.233 6.565 -24.361 307 HD11 ILE 46 3HD1 ILE 46 3.332 5.814 -19.653 308 HD12 ILE 46 1HD1 ILE 46 2.910 5.150 -21.230 309 HD13 ILE 46 2HD1 ILE 46 1.642 5.728 -20.149 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -18.890 -6.801 -8.830 2 H2 GLY 1 2H GLY 1 -20.480 -6.704 -9.409 3 H3 GLY 1 3H GLY 1 -19.923 -8.136 -8.693 4 HA2 GLY 1 2HA GLY 1 -21.379 -6.373 -7.381 5 HA3 GLY 1 1HA GLY 1 -20.165 -7.383 -6.595 6 HA HYP 2 HA HYP 2 -19.114 -2.897 -5.917 7 HB2 HYP 2 1HB HYP 2 -18.946 -3.044 -3.194 8 HB3 HYP 2 2HB HYP 2 -20.461 -2.694 -4.050 9 HG HYP 2 HG HYP 2 -19.478 -5.251 -2.900 10 HD22 HYP 2 1HD HYP 2 -21.619 -5.332 -4.962 11 HD23 HYP 2 2HD HYP 2 -20.385 -6.543 -4.559 12 HD1 HYP 2 HOD HYP 2 -21.152 -3.982 -1.854 13 H SER 3 H SER 3 -17.025 -2.119 -4.879 14 HA SER 3 HA SER 3 -15.060 -4.336 -4.449 15 HB2 SER 3 2HB SER 3 -15.267 -3.036 -6.800 16 HB3 SER 3 1HB SER 3 -14.221 -1.898 -5.949 17 HG SER 3 HG SER 3 -13.203 -3.723 -7.145 18 H PHE 4 H PHE 4 -12.920 -3.349 -3.569 19 HA PHE 4 HA PHE 4 -13.075 -0.791 -2.165 20 HB2 PHE 4 2HB PHE 4 -14.468 -2.770 -0.971 21 HB3 PHE 4 1HB PHE 4 -12.870 -3.125 -0.316 22 HD1 PHE 4 HD2 PHE 4 -15.300 -0.313 -0.802 23 HD2 PHE 4 HD1 PHE 4 -12.023 -1.877 1.503 24 HE1 PHE 4 HE2 PHE 4 -15.549 1.547 0.823 25 HE2 PHE 4 HE1 PHE 4 -12.277 -0.015 3.124 26 HZ PHE 4 HZ PHE 4 -14.041 1.694 2.786 27 H CYS 5 H CYS 5 -11.082 -0.756 -0.522 28 HA CYS 5 HA CYS 5 -8.773 -1.946 -1.981 29 HB2 CYS 5 2HB CYS 5 -7.541 -0.306 -0.389 30 HB3 CYS 5 1HB CYS 5 -8.531 0.387 -1.669 31 H LYS 6 H LYS 6 -6.994 -2.903 -0.664 32 HA LYS 6 HA LYS 6 -7.984 -4.861 1.228 33 HB2 LYS 6 2HB LYS 6 -5.944 -4.739 -0.508 34 HB3 LYS 6 1HB LYS 6 -5.075 -4.195 0.926 35 HG2 LYS 6 2HG LYS 6 -4.922 -6.314 1.646 36 HG3 LYS 6 1HG LYS 6 -6.682 -6.440 1.678 37 HD2 LYS 6 2HD LYS 6 -5.979 -6.600 -1.044 38 HD3 LYS 6 1HD LYS 6 -4.793 -7.594 -0.199 39 HE2 LYS 6 2HE LYS 6 -6.689 -8.758 0.980 40 HE3 LYS 6 1HE LYS 6 -7.815 -7.853 -0.052 41 HZ1 LYS 6 3HZ LYS 6 -5.658 -9.695 -0.938 42 HZ2 LYS 6 1HZ LYS 6 -6.511 -8.675 -1.989 43 HZ3 LYS 6 2HZ LYS 6 -7.330 -9.900 -1.149 44 H ALA 7 H ALA 7 -7.166 -5.067 3.445 45 HA ALA 7 HA ALA 7 -7.030 -2.432 4.836 46 HB1 ALA 7 3HB ALA 7 -7.916 -5.213 5.443 47 HB2 ALA 7 1HB ALA 7 -8.682 -3.675 5.842 48 HB3 ALA 7 2HB ALA 7 -7.316 -4.254 6.795 49 H ASP 8 H ASP 8 -5.698 -2.600 6.972 50 HA ASP 8 HA ASP 8 -2.903 -2.835 6.331 51 HB2 ASP 8 2HB ASP 8 -4.106 -2.861 9.112 52 HB3 ASP 8 1HB ASP 8 -2.588 -2.135 8.593 53 H GLU 9 H GLU 9 -1.442 -4.177 7.899 54 HA GLU 9 HA GLU 9 -0.694 -6.257 8.710 55 HB2 GLU 9 2HB GLU 9 -3.220 -6.000 9.665 56 HB3 GLU 9 1HB GLU 9 -3.441 -7.425 8.649 57 HG2 GLU 9 2HG GLU 9 -2.695 -8.538 10.502 58 HG3 GLU 9 1HG GLU 9 -1.106 -8.068 9.897 59 H LYS 10 H LYS 10 -3.394 -6.819 6.435 60 HA LYS 10 HA LYS 10 -1.977 -9.054 5.149 61 HB2 LYS 10 2HB LYS 10 -4.039 -8.770 3.529 62 HB3 LYS 10 1HB LYS 10 -4.300 -9.379 5.158 63 HG2 LYS 10 2HG LYS 10 -4.405 -6.436 4.905 64 HG3 LYS 10 1HG LYS 10 -5.674 -7.298 4.042 65 HD2 LYS 10 2HD LYS 10 -5.019 -7.956 6.916 66 HD3 LYS 10 1HD LYS 10 -6.125 -6.645 6.500 67 HE2 LYS 10 2HE LYS 10 -7.558 -8.211 5.247 68 HE3 LYS 10 1HE LYS 10 -6.447 -9.544 5.619 69 HZ1 LYS 10 3HZ LYS 10 -8.507 -8.636 7.221 70 HZ2 LYS 10 1HZ LYS 10 -7.100 -8.048 7.962 71 HZ3 LYS 10 2HZ LYS 10 -7.274 -9.712 7.671 72 HA HYP 11 HA HYP 11 0.089 -5.958 2.657 73 HB2 HYP 11 1HB HYP 11 2.081 -7.601 1.766 74 HB3 HYP 11 2HB HYP 11 2.081 -6.843 3.365 75 HG HYP 11 HG HYP 11 2.221 -8.949 4.088 76 HD22 HYP 11 1HD HYP 11 0.260 -8.736 5.134 77 HD23 HYP 11 2HD HYP 11 -0.409 -9.809 3.891 78 HD1 HYP 11 HOD HYP 11 2.344 -9.775 1.862 79 H CYS 12 H CYS 12 1.185 -6.339 0.280 80 HA CYS 12 HA CYS 12 -0.505 -8.106 -1.406 81 HB2 CYS 12 2HB CYS 12 -1.634 -6.369 -2.492 82 HB3 CYS 12 1HB CYS 12 -1.546 -5.735 -0.852 83 H GLU 13 H GLU 13 0.175 -7.277 -3.900 84 HA GLU 13 HA GLU 13 3.089 -7.756 -4.018 85 HB2 GLU 13 2HB GLU 13 1.000 -7.402 -6.196 86 HB3 GLU 13 1HB GLU 13 2.615 -8.074 -6.407 87 HG2 GLU 13 2HG GLU 13 0.875 -9.346 -4.341 88 HG3 GLU 13 1HG GLU 13 0.468 -9.644 -6.029 89 H TYR 14 H TYR 14 0.783 -5.209 -5.045 90 HA TYR 14 HA TYR 14 3.068 -3.443 -5.785 91 HB2 TYR 14 2HB TYR 14 0.081 -2.963 -6.022 92 HB3 TYR 14 1HB TYR 14 1.364 -2.122 -6.884 93 HD1 TYR 14 HD1 TYR 14 3.087 -4.506 -7.627 94 HD2 TYR 14 HD2 TYR 14 -1.158 -3.885 -7.795 95 HE1 TYR 14 HE1 TYR 14 2.916 -6.158 -9.486 96 HE2 TYR 14 HE2 TYR 14 -1.330 -5.535 -9.646 97 HH TYR 14 HH TYR 14 0.235 -7.650 -10.381 98 H HIS 15 H HIS 15 1.233 -1.075 -5.202 99 HA HIS 15 HA HIS 15 1.506 -1.059 -2.222 100 HB2 HIS 15 2HB HIS 15 2.854 0.445 -4.240 101 HB3 HIS 15 1HB HIS 15 1.803 1.558 -3.373 102 HD1 HIS 15 HD1 HIS 15 2.297 -0.518 -0.721 103 HD2 HIS 15 HD2 HIS 15 5.024 1.830 -2.822 104 HE1 HIS 15 HE1 HIS 15 4.233 -0.096 0.848 105 H ALA 16 H ALA 16 -0.569 -0.451 -4.945 106 HA ALA 16 HA ALA 16 -2.342 1.370 -3.399 107 HB1 ALA 16 3HB ALA 16 -1.988 0.497 -6.237 108 HB2 ALA 16 1HB ALA 16 -2.118 2.127 -5.575 109 HB3 ALA 16 2HB ALA 16 -3.560 1.126 -5.745 110 H ASP 17 H ASP 17 -2.033 -1.971 -3.614 111 HA ASP 17 HA ASP 17 -4.741 -2.842 -4.036 112 HB2 ASP 17 2HB ASP 17 -2.932 -4.414 -4.116 113 HB3 ASP 17 1HB ASP 17 -2.342 -3.912 -2.537 114 H CYS 18 H CYS 18 -2.954 -1.867 -1.127 115 HA CYS 18 HA CYS 18 -5.260 -2.223 0.674 116 HB2 CYS 18 2HB CYS 18 -2.414 -1.363 0.811 117 HB3 CYS 18 1HB CYS 18 -3.485 -0.752 2.066 118 H CYS 19 H CYS 19 -6.154 -0.346 1.899 119 HA CYS 19 HA CYS 19 -6.917 1.892 0.254 120 HB2 CYS 19 2HB CYS 19 -6.858 1.696 3.286 121 HB3 CYS 19 1HB CYS 19 -7.931 2.700 2.310 122 H ASN 20 H ASN 20 -3.927 1.248 1.769 123 HA ASN 20 HA ASN 20 -3.082 4.080 1.432 124 HB2 ASN 20 2HB ASN 20 -2.425 2.390 3.873 125 HB3 ASN 20 1HB ASN 20 -2.060 4.097 3.629 126 HD21 ASN 20 1HD2 ASN 20 -4.617 1.831 4.483 127 HD22 ASN 20 2HD2 ASN 20 -5.786 3.006 4.830 128 H CYS 21 H CYS 21 -1.415 1.211 2.822 129 HA CYS 21 HA CYS 21 0.279 0.998 0.379 130 HB2 CYS 21 2HB CYS 21 1.113 1.932 3.124 131 HB3 CYS 21 1HB CYS 21 2.276 1.116 2.076 132 H CYS 22 H CYS 22 0.487 -1.191 -0.022 133 HA CYS 22 HA CYS 22 0.426 -3.058 2.327 134 HB2 CYS 22 2HB CYS 22 -0.359 -4.698 0.490 135 HB3 CYS 22 1HB CYS 22 -1.496 -3.467 1.009 136 H LEU 23 H LEU 23 2.809 -2.915 2.544 137 HA LEU 23 HA LEU 23 4.499 -3.638 0.252 138 HB2 LEU 23 2HB LEU 23 4.768 -2.824 3.077 139 HB3 LEU 23 1HB LEU 23 6.020 -3.938 2.532 140 HG LEU 23 HG LEU 23 5.266 -1.537 0.867 141 HD11 LEU 23 1HD1 LEU 23 5.860 -0.774 3.179 142 HD12 LEU 23 2HD1 LEU 23 7.035 -0.273 1.964 143 HD13 LEU 23 3HD1 LEU 23 7.395 -1.631 3.029 144 HD21 LEU 23 3HD2 LEU 23 6.657 -3.382 -0.092 145 HD22 LEU 23 1HD2 LEU 23 7.840 -3.114 1.188 146 HD23 LEU 23 2HD2 LEU 23 7.528 -1.851 -0.004 147 H SER 24 H SER 24 5.534 -5.674 -0.055 148 HA SER 24 HA SER 24 4.227 -8.048 0.291 149 HB2 SER 24 2HB SER 24 6.320 -7.698 -0.978 150 HB3 SER 24 1HB SER 24 7.219 -7.584 0.533 151 HG SER 24 HG SER 24 6.743 -9.722 0.955 152 H GLY 25 H GLY 25 6.383 -6.611 2.725 153 HA2 GLY 25 2HA GLY 25 6.337 -8.766 4.574 154 HA3 GLY 25 1HA GLY 25 6.644 -7.081 4.999 155 H ILE 26 H ILE 26 4.316 -5.792 4.525 156 HA ILE 26 HA ILE 26 1.925 -7.220 5.379 157 HB ILE 26 HB ILE 26 3.865 -6.254 7.341 158 HG12 ILE 26 2HG1 ILE 26 1.244 -7.559 7.996 159 HG13 ILE 26 1HG1 ILE 26 2.460 -8.468 7.100 160 HG21 ILE 26 1HG2 ILE 26 2.492 -4.234 7.472 161 HG22 ILE 26 2HG2 ILE 26 2.188 -5.232 8.895 162 HG23 ILE 26 3HG2 ILE 26 1.023 -5.206 7.573 163 HD11 ILE 26 3HD1 ILE 26 3.019 -7.042 9.708 164 HD12 ILE 26 1HD1 ILE 26 4.080 -8.168 8.862 165 HD13 ILE 26 2HD1 ILE 26 2.588 -8.748 9.603 166 H CYS 27 H CYS 27 0.072 -5.682 5.623 167 HA CYS 27 HA CYS 27 0.441 -3.282 3.942 168 HB2 CYS 27 2HB CYS 27 -1.470 -4.780 3.649 169 HB3 CYS 27 1HB CYS 27 -1.963 -4.526 5.322 170 H ALA 28 H ALA 28 0.308 -1.157 4.685 171 HA ALA 28 HA ALA 28 -0.061 -0.778 7.644 172 HB1 ALA 28 3HB ALA 28 2.187 -0.188 5.819 173 HB2 ALA 28 1HB ALA 28 2.192 -0.401 7.572 174 HB3 ALA 28 2HB ALA 28 1.743 1.154 6.872 175 HA HYP 29 HA HYP 29 -2.811 2.434 6.382 176 HB2 HYP 29 1HB HYP 29 -2.884 3.877 8.706 177 HB3 HYP 29 2HB HYP 29 -3.715 2.323 8.499 178 HG HYP 29 HG HYP 29 -1.183 2.973 9.864 179 HD22 HYP 29 1HD HYP 29 -1.349 0.181 8.974 180 HD23 HYP 29 2HD HYP 29 0.038 1.284 9.038 181 HD1 HYP 29 HOD HYP 29 -2.938 0.757 10.285 182 H SER 30 H SER 30 -2.861 4.788 5.999 183 HA SER 30 HA SER 30 -0.295 5.917 5.255 184 HB2 SER 30 2HB SER 30 -1.996 7.995 5.103 185 HB3 SER 30 1HB SER 30 -2.049 6.679 3.937 186 HG SER 30 HG SER 30 -3.995 6.272 4.618 187 H THR 31 H THR 31 -2.505 6.330 7.999 188 HA THR 31 HA THR 31 -1.004 8.541 9.191 189 HB THR 31 HB THR 31 -3.082 6.636 10.339 190 HG1 THR 31 HG1 THR 31 -4.377 7.655 9.036 191 HG21 THR 31 3HG2 THR 31 -2.179 9.406 11.206 192 HG22 THR 31 1HG2 THR 31 -1.876 7.891 12.070 193 HG23 THR 31 2HG2 THR 31 -3.517 8.511 11.921 194 H ASN 32 H ASN 32 1.142 7.342 9.080 195 HA ASN 32 HA ASN 32 1.385 5.267 11.226 196 HB2 ASN 32 2HB ASN 32 2.041 5.162 8.581 197 HB3 ASN 32 1HB ASN 32 3.564 5.696 9.299 198 HD21 ASN 32 1HD2 ASN 32 1.671 2.937 8.670 199 HD22 ASN 32 2HD2 ASN 32 2.425 1.868 9.752 200 H TRP 33 H TRP 33 4.048 5.337 11.742 201 HA TRP 33 HA TRP 33 4.729 8.162 12.446 202 HB2 TRP 33 2HB TRP 33 5.454 6.971 14.749 203 HB3 TRP 33 1HB TRP 33 3.832 7.608 14.503 204 HD1 TRP 33 HD1 TRP 33 2.033 5.721 13.487 205 HE1 TRP 33 HE1 TRP 33 1.764 3.254 14.222 206 HE3 TRP 33 HE3 TRP 33 6.566 4.960 15.698 207 HZ2 TRP 33 HZ2 TRP 33 3.248 1.248 15.618 208 HZ3 TRP 33 HZ3 TRP 33 7.098 2.766 16.733 209 HH2 TRP 33 HH2 TRP 33 5.452 0.923 16.685 210 H ILE 34 H ILE 34 5.971 4.834 12.976 211 HA ILE 34 HA ILE 34 8.587 5.760 11.858 212 HB ILE 34 HB ILE 34 8.062 3.799 14.117 213 HG12 ILE 34 2HG1 ILE 34 9.130 6.641 14.191 214 HG13 ILE 34 1HG1 ILE 34 7.498 6.171 14.666 215 HG21 ILE 34 1HG2 ILE 34 10.353 4.203 12.472 216 HG22 ILE 34 2HG2 ILE 34 10.250 3.243 13.947 217 HG23 ILE 34 3HG2 ILE 34 10.718 4.940 14.032 218 HD11 ILE 34 3HD1 ILE 34 8.591 4.537 16.289 219 HD12 ILE 34 1HD1 ILE 34 8.759 6.248 16.686 220 HD13 ILE 34 2HD1 ILE 34 10.107 5.374 15.956 221 H LEU 35 H LEU 35 6.108 3.322 11.737 222 HA LEU 35 HA LEU 35 7.671 1.176 10.636 223 HB2 LEU 35 2HB LEU 35 4.759 1.961 10.608 224 HB3 LEU 35 1HB LEU 35 5.329 0.519 9.774 225 HG LEU 35 HG LEU 35 6.294 0.836 12.559 226 HD11 LEU 35 1HD1 LEU 35 3.902 1.621 12.660 227 HD12 LEU 35 2HD1 LEU 35 4.201 0.141 13.576 228 HD13 LEU 35 3HD1 LEU 35 3.414 0.062 11.999 229 HD21 LEU 35 3HD2 LEU 35 5.206 -1.645 12.323 230 HD22 LEU 35 1HD2 LEU 35 6.848 -1.255 11.828 231 HD23 LEU 35 2HD2 LEU 35 5.553 -1.290 10.629 232 HA PRO 36 HA PRO 36 8.391 3.003 6.664 233 HB2 PRO 36 2HB PRO 36 9.417 0.787 5.444 234 HB3 PRO 36 1HB PRO 36 10.340 1.788 6.583 235 HG2 PRO 36 2HG PRO 36 8.954 -0.810 7.021 236 HG3 PRO 36 1HG PRO 36 10.511 -0.251 7.658 237 HD2 PRO 36 2HD PRO 36 8.213 -0.270 9.112 238 HD3 PRO 36 1HD PRO 36 9.529 0.892 9.391 239 H GLY 37 H GLY 37 5.935 3.065 6.471 240 HA2 GLY 37 2HA GLY 37 4.566 0.858 5.173 241 HA3 GLY 37 1HA GLY 37 3.929 2.492 5.367 242 H CYS 38 H CYS 38 5.757 4.033 4.022 243 HA CYS 38 HA CYS 38 6.668 3.056 1.490 244 HB2 CYS 38 2HB CYS 38 4.686 4.303 0.222 245 HB3 CYS 38 1HB CYS 38 4.506 2.627 0.732 246 H SER 39 H SER 39 8.366 4.532 1.742 247 HA SER 39 HA SER 39 7.625 7.439 1.898 248 HB2 SER 39 2HB SER 39 10.203 6.004 2.632 249 HB3 SER 39 1HB SER 39 9.844 7.706 2.912 250 HG SER 39 HG SER 39 8.260 7.134 4.356 251 H THR 40 H THR 40 7.969 8.564 0.006 252 HA THR 40 HA THR 40 9.929 7.436 -1.964 253 HB THR 40 HB THR 40 8.445 8.992 -3.489 254 HG1 THR 40 HG1 THR 40 6.485 9.448 -2.658 255 HG21 THR 40 3HG2 THR 40 6.907 7.151 -3.863 256 HG22 THR 40 1HG2 THR 40 7.276 6.473 -2.278 257 HG23 THR 40 2HG2 THR 40 8.513 6.496 -3.537 258 H SER 41 H SER 41 11.197 9.102 -3.188 259 HA SER 41 HA SER 41 12.213 11.188 -1.432 260 HB2 SER 41 2HB SER 41 12.807 10.813 -4.365 261 HB3 SER 41 1HB SER 41 13.884 11.425 -3.114 262 HG SER 41 HG SER 41 14.028 9.372 -2.261 263 H SER 42 H SER 42 9.750 12.097 -1.502 264 HA SER 42 HA SER 42 9.155 13.794 -3.834 265 HB2 SER 42 2HB SER 42 7.732 12.635 -1.780 266 HB3 SER 42 1HB SER 42 7.815 14.308 -1.232 267 HG SER 42 HG SER 42 6.299 14.661 -2.642 268 H PHE 43 H PHE 43 11.549 14.705 -3.421 269 HA PHE 43 HA PHE 43 11.631 16.830 -1.366 270 HB2 PHE 43 2HB PHE 43 13.622 15.918 -3.450 271 HB3 PHE 43 1HB PHE 43 13.974 17.050 -2.147 272 HD1 PHE 43 HD1 PHE 43 12.824 16.000 0.216 273 HD2 PHE 43 HD2 PHE 43 14.594 13.852 -3.058 274 HE1 PHE 43 HE1 PHE 43 13.346 14.095 1.742 275 HE2 PHE 43 HE2 PHE 43 15.114 11.955 -1.528 276 HZ PHE 43 HZ PHE 43 14.490 12.089 0.861 277 H PHE 44 H PHE 44 12.225 16.727 -4.880 278 HA PHE 44 HA PHE 44 11.490 19.616 -5.018 279 HB2 PHE 44 2HB PHE 44 13.551 17.992 -6.097 280 HB3 PHE 44 1HB PHE 44 12.540 18.484 -7.455 281 HD1 PHE 44 HD2 PHE 44 14.364 19.785 -4.477 282 HD2 PHE 44 HD1 PHE 44 12.631 20.683 -8.308 283 HE1 PHE 44 HE2 PHE 44 15.379 22.062 -4.408 284 HE2 PHE 44 HE1 PHE 44 13.650 22.959 -8.229 285 HZ PHE 44 HZ PHE 44 15.019 23.634 -6.283 286 H LYS 45 H LYS 45 9.959 20.315 -6.591 287 HA LYS 45 HA LYS 45 7.908 18.325 -7.290 288 HB2 LYS 45 2HB LYS 45 7.279 20.470 -6.325 289 HB3 LYS 45 1HB LYS 45 8.159 21.334 -7.584 290 HG2 LYS 45 2HG LYS 45 6.199 19.441 -8.682 291 HG3 LYS 45 1HG LYS 45 5.453 20.676 -7.665 292 HD2 LYS 45 2HD LYS 45 7.367 21.224 -9.955 293 HD3 LYS 45 1HD LYS 45 5.615 21.382 -10.045 294 HE2 LYS 45 2HE LYS 45 5.683 23.435 -9.087 295 HE3 LYS 45 1HE LYS 45 6.680 22.837 -7.747 296 HZ1 LYS 45 3HZ LYS 45 8.625 22.962 -9.126 297 HZ2 LYS 45 1HZ LYS 45 7.850 24.469 -9.169 298 HZ3 LYS 45 2HZ LYS 45 7.705 23.403 -10.486 299 H ILE 46 H ILE 46 7.301 17.846 -9.436 300 HA ILE 46 HA ILE 46 9.388 17.973 -11.461 301 HB ILE 46 HB ILE 46 6.469 17.145 -11.500 302 HG12 ILE 46 2HG1 ILE 46 8.986 15.456 -11.276 303 HG13 ILE 46 1HG1 ILE 46 7.954 15.893 -9.914 304 HG21 ILE 46 1HG2 ILE 46 6.741 16.322 -13.636 305 HG22 ILE 46 2HG2 ILE 46 8.466 16.026 -13.409 306 HG23 ILE 46 3HG2 ILE 46 7.886 17.662 -13.719 307 HD11 ILE 46 3HD1 ILE 46 6.881 14.500 -12.368 308 HD12 ILE 46 1HD1 ILE 46 6.103 14.678 -10.797 309 HD13 ILE 46 2HD1 ILE 46 7.495 13.608 -10.974 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -18.319 4.425 0.447 2 H2 GLY 1 2H GLY 1 -18.590 2.791 0.071 3 H3 GLY 1 3H GLY 1 -19.848 3.920 -0.081 4 HA2 GLY 1 2HA GLY 1 -19.077 4.776 -2.020 5 HA3 GLY 1 1HA GLY 1 -17.407 4.366 -1.625 6 HA HYP 2 HA HYP 2 -19.554 0.981 -4.176 7 HB2 HYP 2 1HB HYP 2 -18.763 1.647 -6.708 8 HB3 HYP 2 2HB HYP 2 -20.291 2.194 -5.989 9 HG HYP 2 HG HYP 2 -17.715 3.622 -6.306 10 HD22 HYP 2 1HD HYP 2 -19.564 4.655 -4.237 11 HD23 HYP 2 2HD HYP 2 -17.788 4.665 -4.291 12 HD1 HYP 2 HOD HYP 2 -20.379 4.662 -6.247 13 H SER 3 H SER 3 -16.401 2.458 -4.039 14 HA SER 3 HA SER 3 -15.118 -0.080 -4.978 15 HB2 SER 3 2HB SER 3 -13.644 2.501 -4.588 16 HB3 SER 3 1HB SER 3 -13.401 1.250 -5.806 17 HG SER 3 HG SER 3 -14.374 3.120 -6.693 18 H PHE 4 H PHE 4 -13.665 -1.130 -3.593 19 HA PHE 4 HA PHE 4 -13.303 0.036 -0.846 20 HB2 PHE 4 2HB PHE 4 -13.784 -2.829 -1.747 21 HB3 PHE 4 1HB PHE 4 -13.420 -2.353 -0.087 22 HD1 PHE 4 HD2 PHE 4 -14.969 -0.546 0.988 23 HD2 PHE 4 HD1 PHE 4 -16.004 -2.836 -2.497 24 HE1 PHE 4 HE2 PHE 4 -17.364 -0.052 1.379 25 HE2 PHE 4 HE1 PHE 4 -18.402 -2.343 -2.118 26 HZ PHE 4 HZ PHE 4 -19.084 -0.952 -0.175 27 H CYS 5 H CYS 5 -11.469 -1.732 0.150 28 HA CYS 5 HA CYS 5 -9.304 -2.247 -1.777 29 HB2 CYS 5 2HB CYS 5 -7.787 -0.709 -0.283 30 HB3 CYS 5 1HB CYS 5 -8.797 0.031 -1.522 31 H LYS 6 H LYS 6 -7.262 -2.966 -0.387 32 HA LYS 6 HA LYS 6 -8.182 -5.038 1.455 33 HB2 LYS 6 2HB LYS 6 -6.237 -4.899 -0.384 34 HB3 LYS 6 1HB LYS 6 -5.296 -4.356 1.001 35 HG2 LYS 6 2HG LYS 6 -5.147 -6.814 0.722 36 HG3 LYS 6 1HG LYS 6 -5.925 -6.391 2.247 37 HD2 LYS 6 2HD LYS 6 -7.171 -8.192 1.142 38 HD3 LYS 6 1HD LYS 6 -8.150 -6.731 1.186 39 HE2 LYS 6 2HE LYS 6 -8.326 -7.717 -1.049 40 HE3 LYS 6 1HE LYS 6 -7.369 -6.232 -1.181 41 HZ1 LYS 6 3HZ LYS 6 -5.928 -8.692 -0.530 42 HZ2 LYS 6 1HZ LYS 6 -5.441 -7.363 -1.473 43 HZ3 LYS 6 2HZ LYS 6 -6.498 -8.529 -2.124 44 H ALA 7 H ALA 7 -7.368 -5.206 3.670 45 HA ALA 7 HA ALA 7 -7.168 -2.544 4.986 46 HB1 ALA 7 3HB ALA 7 -8.131 -3.628 6.794 47 HB2 ALA 7 1HB ALA 7 -7.294 -5.144 6.458 48 HB3 ALA 7 2HB ALA 7 -8.694 -4.676 5.492 49 H ASP 8 H ASP 8 -5.769 -2.663 7.089 50 HA ASP 8 HA ASP 8 -3.009 -2.871 6.357 51 HB2 ASP 8 2HB ASP 8 -4.525 -2.639 8.967 52 HB3 ASP 8 1HB ASP 8 -2.763 -2.634 8.914 53 H GLU 9 H GLU 9 -1.518 -4.230 7.996 54 HA GLU 9 HA GLU 9 -0.815 -6.348 8.805 55 HB2 GLU 9 2HB GLU 9 -3.377 -6.104 9.607 56 HB3 GLU 9 1HB GLU 9 -3.560 -7.469 8.509 57 HG2 GLU 9 2HG GLU 9 -1.775 -8.690 9.724 58 HG3 GLU 9 1HG GLU 9 -1.587 -7.321 10.822 59 H LYS 10 H LYS 10 -3.409 -6.903 6.420 60 HA LYS 10 HA LYS 10 -1.918 -9.081 5.172 61 HB2 LYS 10 2HB LYS 10 -3.925 -8.665 3.407 62 HB3 LYS 10 1HB LYS 10 -4.161 -9.528 4.917 63 HG2 LYS 10 2HG LYS 10 -4.906 -7.364 5.961 64 HG3 LYS 10 1HG LYS 10 -4.796 -6.611 4.371 65 HD2 LYS 10 2HD LYS 10 -7.057 -7.244 4.468 66 HD3 LYS 10 1HD LYS 10 -6.329 -8.618 3.633 67 HE2 LYS 10 2HE LYS 10 -6.380 -9.982 5.569 68 HE3 LYS 10 1HE LYS 10 -6.592 -8.591 6.649 69 HZ1 LYS 10 3HZ LYS 10 -8.709 -8.161 5.362 70 HZ2 LYS 10 1HZ LYS 10 -8.723 -9.489 6.412 71 HZ3 LYS 10 2HZ LYS 10 -8.548 -9.736 4.740 72 HA HYP 11 HA HYP 11 0.211 -5.982 2.706 73 HB2 HYP 11 1HB HYP 11 2.337 -7.561 2.052 74 HB3 HYP 11 2HB HYP 11 2.194 -6.746 3.615 75 HG HYP 11 HG HYP 11 2.312 -8.822 4.465 76 HD22 HYP 11 1HD HYP 11 0.197 -8.881 5.236 77 HD23 HYP 11 2HD HYP 11 -0.212 -9.845 3.809 78 HD1 HYP 11 HOD HYP 11 1.169 -9.897 2.087 79 H CYS 12 H CYS 12 1.483 -6.369 0.424 80 HA CYS 12 HA CYS 12 0.491 -8.467 -1.298 81 HB2 CYS 12 2HB CYS 12 -1.360 -7.500 -2.276 82 HB3 CYS 12 1HB CYS 12 -1.493 -6.791 -0.679 83 H GLU 13 H GLU 13 0.655 -7.473 -3.782 84 HA GLU 13 HA GLU 13 3.425 -6.424 -3.926 85 HB2 GLU 13 2HB GLU 13 1.842 -8.284 -5.349 86 HB3 GLU 13 1HB GLU 13 2.079 -6.928 -6.453 87 HG2 GLU 13 2HG GLU 13 4.432 -7.967 -4.914 88 HG3 GLU 13 1HG GLU 13 3.873 -8.863 -6.326 89 H TYR 14 H TYR 14 0.214 -5.709 -5.331 90 HA TYR 14 HA TYR 14 1.037 -3.091 -6.348 91 HB2 TYR 14 2HB TYR 14 -1.508 -4.694 -6.118 92 HB3 TYR 14 1HB TYR 14 -1.582 -2.995 -6.583 93 HD1 TYR 14 HD1 TYR 14 0.053 -6.240 -7.468 94 HD2 TYR 14 HD2 TYR 14 -1.101 -2.321 -8.788 95 HE1 TYR 14 HE1 TYR 14 0.676 -6.850 -9.774 96 HE2 TYR 14 HE2 TYR 14 -0.474 -2.922 -11.110 97 HH TYR 14 HH TYR 14 1.320 -4.798 -12.112 98 H HIS 15 H HIS 15 1.720 -1.827 -4.582 99 HA HIS 15 HA HIS 15 0.827 -1.606 -1.991 100 HB2 HIS 15 2HB HIS 15 1.725 0.404 -4.031 101 HB3 HIS 15 1HB HIS 15 1.278 0.945 -2.414 102 HD1 HIS 15 HD1 HIS 15 4.236 0.989 -3.559 103 HD2 HIS 15 HD2 HIS 15 2.670 -1.962 -1.057 104 HE1 HIS 15 HE1 HIS 15 6.209 -0.076 -2.379 105 H ALA 16 H ALA 16 -0.908 -0.359 -4.833 106 HA ALA 16 HA ALA 16 -2.840 1.219 -3.385 107 HB1 ALA 16 3HB ALA 16 -2.255 1.454 -5.781 108 HB2 ALA 16 1HB ALA 16 -3.989 1.212 -5.564 109 HB3 ALA 16 2HB ALA 16 -2.969 -0.125 -6.097 110 H ASP 17 H ASP 17 -2.558 -2.233 -3.815 111 HA ASP 17 HA ASP 17 -5.257 -3.089 -3.859 112 HB2 ASP 17 2HB ASP 17 -3.200 -4.510 -3.989 113 HB3 ASP 17 1HB ASP 17 -2.964 -4.259 -2.261 114 H CYS 18 H CYS 18 -3.264 -2.060 -1.086 115 HA CYS 18 HA CYS 18 -5.528 -2.431 0.788 116 HB2 CYS 18 2HB CYS 18 -2.618 -1.754 0.917 117 HB3 CYS 18 1HB CYS 18 -3.633 -1.172 2.235 118 H CYS 19 H CYS 19 -6.114 -0.495 2.214 119 HA CYS 19 HA CYS 19 -6.741 1.820 0.529 120 HB2 CYS 19 2HB CYS 19 -7.062 1.614 3.527 121 HB3 CYS 19 1HB CYS 19 -8.075 2.490 2.383 122 H ASN 20 H ASN 20 -3.826 1.124 1.394 123 HA ASN 20 HA ASN 20 -2.938 3.871 1.857 124 HB2 ASN 20 2HB ASN 20 -1.664 2.667 3.969 125 HB3 ASN 20 1HB ASN 20 -3.161 3.586 4.127 126 HD21 ASN 20 1HD2 ASN 20 -4.952 2.438 4.962 127 HD22 ASN 20 2HD2 ASN 20 -5.044 0.748 5.046 128 H CYS 21 H CYS 21 -1.385 0.780 2.789 129 HA CYS 21 HA CYS 21 0.233 0.670 0.314 130 HB2 CYS 21 2HB CYS 21 1.167 1.789 2.920 131 HB3 CYS 21 1HB CYS 21 2.301 0.739 2.068 132 H CYS 22 H CYS 22 1.015 -1.459 0.001 133 HA CYS 22 HA CYS 22 0.662 -3.349 2.300 134 HB2 CYS 22 2HB CYS 22 -0.238 -4.935 0.766 135 HB3 CYS 22 1HB CYS 22 -0.990 -3.411 0.325 136 H LEU 23 H LEU 23 2.968 -3.034 2.854 137 HA LEU 23 HA LEU 23 5.024 -3.662 0.866 138 HB2 LEU 23 2HB LEU 23 4.830 -2.946 3.757 139 HB3 LEU 23 1HB LEU 23 6.288 -3.799 3.252 140 HG LEU 23 HG LEU 23 5.348 -1.496 1.581 141 HD11 LEU 23 1HD1 LEU 23 5.594 0.021 3.228 142 HD12 LEU 23 2HD1 LEU 23 7.240 -0.548 3.499 143 HD13 LEU 23 3HD1 LEU 23 5.899 -1.271 4.388 144 HD21 LEU 23 3HD2 LEU 23 7.485 -3.215 1.473 145 HD22 LEU 23 1HD2 LEU 23 8.175 -1.851 2.354 146 HD23 LEU 23 2HD2 LEU 23 7.467 -1.602 0.759 147 H SER 24 H SER 24 6.340 -5.590 0.870 148 HA SER 24 HA SER 24 5.137 -8.066 0.960 149 HB2 SER 24 2HB SER 24 7.579 -8.854 1.456 150 HB3 SER 24 1HB SER 24 7.278 -7.908 0.004 151 HG SER 24 HG SER 24 8.818 -7.322 2.145 152 H GLY 25 H GLY 25 6.612 -6.409 3.717 153 HA2 GLY 25 2HA GLY 25 6.385 -8.626 5.540 154 HA3 GLY 25 1HA GLY 25 6.591 -6.941 6.001 155 H ILE 26 H ILE 26 4.333 -5.704 5.108 156 HA ILE 26 HA ILE 26 1.870 -7.154 5.620 157 HB ILE 26 HB ILE 26 3.512 -6.169 7.830 158 HG12 ILE 26 2HG1 ILE 26 0.886 -7.512 8.244 159 HG13 ILE 26 1HG1 ILE 26 2.125 -8.402 7.363 160 HG21 ILE 26 1HG2 ILE 26 1.679 -5.174 9.162 161 HG22 ILE 26 2HG2 ILE 26 0.619 -5.244 7.756 162 HG23 ILE 26 3HG2 ILE 26 2.039 -4.196 7.740 163 HD11 ILE 26 3HD1 ILE 26 2.429 -7.158 10.112 164 HD12 ILE 26 1HD1 ILE 26 3.717 -7.978 9.228 165 HD13 ILE 26 2HD1 ILE 26 2.300 -8.881 9.763 166 H CYS 27 H CYS 27 -0.032 -5.596 5.699 167 HA CYS 27 HA CYS 27 0.513 -3.238 4.012 168 HB2 CYS 27 2HB CYS 27 -1.776 -4.871 4.824 169 HB3 CYS 27 1HB CYS 27 -2.151 -3.148 4.846 170 H ALA 28 H ALA 28 0.479 -1.089 4.692 171 HA ALA 28 HA ALA 28 -0.146 -0.514 7.561 172 HB1 ALA 28 3HB ALA 28 2.105 -0.397 7.849 173 HB2 ALA 28 1HB ALA 28 2.029 1.092 6.909 174 HB3 ALA 28 2HB ALA 28 2.402 -0.437 6.110 175 HA HYP 29 HA HYP 29 -2.242 3.061 6.111 176 HB2 HYP 29 1HB HYP 29 -1.486 4.979 7.922 177 HB3 HYP 29 2HB HYP 29 -2.623 3.669 8.305 178 HG HYP 29 HG HYP 29 0.317 3.829 8.828 179 HD22 HYP 29 1HD HYP 29 -1.186 1.239 8.907 180 HD23 HYP 29 2HD HYP 29 0.555 1.534 8.689 181 HD1 HYP 29 HOD HYP 29 -0.652 2.706 10.807 182 H SER 30 H SER 30 -1.839 5.534 5.649 183 HA SER 30 HA SER 30 0.385 5.757 3.786 184 HB2 SER 30 2HB SER 30 -1.690 6.813 3.270 185 HB3 SER 30 1HB SER 30 -1.774 7.595 4.843 186 HG SER 30 HG SER 30 0.051 8.131 2.713 187 H THR 31 H THR 31 0.049 6.391 7.172 188 HA THR 31 HA THR 31 2.022 8.537 7.346 189 HB THR 31 HB THR 31 0.867 6.617 9.410 190 HG1 THR 31 HG1 THR 31 -0.787 7.962 9.526 191 HG21 THR 31 3HG2 THR 31 1.390 8.593 10.943 192 HG22 THR 31 1HG2 THR 31 2.382 9.222 9.628 193 HG23 THR 31 2HG2 THR 31 2.777 7.669 10.369 194 H ASN 32 H ASN 32 3.526 7.086 5.891 195 HA ASN 32 HA ASN 32 4.883 4.914 7.359 196 HB2 ASN 32 2HB ASN 32 5.185 6.140 4.604 197 HB3 ASN 32 1HB ASN 32 6.144 4.773 5.174 198 HD21 ASN 32 1HD2 ASN 32 4.374 3.126 6.446 199 HD22 ASN 32 2HD2 ASN 32 3.082 2.694 5.438 200 H TRP 33 H TRP 33 5.603 6.510 9.058 201 HA TRP 33 HA TRP 33 7.665 8.448 8.322 202 HB2 TRP 33 2HB TRP 33 7.891 8.517 10.933 203 HB3 TRP 33 1HB TRP 33 6.426 9.135 10.190 204 HD1 TRP 33 HD1 TRP 33 6.858 5.366 10.465 205 HE1 TRP 33 HE1 TRP 33 5.179 4.447 12.180 206 HE3 TRP 33 HE3 TRP 33 5.120 9.748 12.398 207 HZ2 TRP 33 HZ2 TRP 33 3.346 5.443 14.143 208 HZ3 TRP 33 HZ3 TRP 33 3.428 9.734 14.213 209 HH2 TRP 33 HH2 TRP 33 2.539 7.588 15.086 210 H ILE 34 H ILE 34 8.527 6.550 11.110 211 HA ILE 34 HA ILE 34 11.145 5.975 10.178 212 HB ILE 34 HB ILE 34 11.217 4.446 12.136 213 HG12 ILE 34 2HG1 ILE 34 8.243 5.005 12.350 214 HG13 ILE 34 1HG1 ILE 34 8.927 3.487 11.764 215 HG21 ILE 34 1HG2 ILE 34 11.108 6.161 13.669 216 HG22 ILE 34 2HG2 ILE 34 9.527 6.705 13.110 217 HG23 ILE 34 3HG2 ILE 34 10.975 7.125 12.198 218 HD11 ILE 34 3HD1 ILE 34 8.350 4.049 14.409 219 HD12 ILE 34 1HD1 ILE 34 10.081 4.378 14.319 220 HD13 ILE 34 2HD1 ILE 34 9.458 2.792 13.860 221 H LEU 35 H LEU 35 8.208 4.428 9.300 222 HA LEU 35 HA LEU 35 9.717 2.075 8.229 223 HB2 LEU 35 2HB LEU 35 7.155 1.205 8.268 224 HB3 LEU 35 1HB LEU 35 8.247 1.015 9.635 225 HG LEU 35 HG LEU 35 7.360 3.197 10.548 226 HD11 LEU 35 1HD1 LEU 35 6.529 4.077 8.374 227 HD12 LEU 35 2HD1 LEU 35 5.269 4.063 9.610 228 HD13 LEU 35 3HD1 LEU 35 5.293 2.818 8.362 229 HD21 LEU 35 3HD2 LEU 35 5.777 0.698 10.186 230 HD22 LEU 35 1HD2 LEU 35 4.928 2.097 10.850 231 HD23 LEU 35 2HD2 LEU 35 6.357 1.463 11.666 232 HA PRO 36 HA PRO 36 7.988 4.531 4.690 233 HB2 PRO 36 2HB PRO 36 10.333 4.649 3.273 234 HB3 PRO 36 1HB PRO 36 9.884 5.850 4.499 235 HG2 PRO 36 2HG PRO 36 11.761 3.555 4.692 236 HG3 PRO 36 1HG PRO 36 11.868 5.173 5.403 237 HD2 PRO 36 2HD PRO 36 11.105 2.934 6.802 238 HD3 PRO 36 1HD PRO 36 10.628 4.590 7.238 239 H GLY 37 H GLY 37 8.554 3.828 2.170 240 HA2 GLY 37 2HA GLY 37 9.460 1.420 1.295 241 HA3 GLY 37 1HA GLY 37 7.954 0.946 2.078 242 H CYS 38 H CYS 38 6.431 3.300 1.352 243 HA CYS 38 HA CYS 38 6.377 3.069 -1.642 244 HB2 CYS 38 2HB CYS 38 3.847 3.070 -1.347 245 HB3 CYS 38 1HB CYS 38 4.663 1.626 -0.753 246 H SER 39 H SER 39 5.957 5.013 -2.714 247 HA SER 39 HA SER 39 5.200 7.399 -1.057 248 HB2 SER 39 2HB SER 39 7.329 7.337 -3.213 249 HB3 SER 39 1HB SER 39 6.995 8.648 -2.088 250 HG SER 39 HG SER 39 8.037 7.597 -0.549 251 H THR 40 H THR 40 3.540 5.773 -2.859 252 HA THR 40 HA THR 40 3.214 7.443 -5.301 253 HB THR 40 HB THR 40 1.415 5.578 -5.648 254 HG1 THR 40 HG1 THR 40 1.217 4.640 -3.708 255 HG21 THR 40 3HG2 THR 40 3.677 5.674 -6.746 256 HG22 THR 40 1HG2 THR 40 3.122 4.032 -6.444 257 HG23 THR 40 2HG2 THR 40 4.331 4.761 -5.385 258 H SER 41 H SER 41 2.498 9.338 -3.925 259 HA SER 41 HA SER 41 -0.354 9.038 -3.015 260 HB2 SER 41 2HB SER 41 1.846 9.756 -1.574 261 HB3 SER 41 1HB SER 41 1.310 11.335 -2.137 262 HG SER 41 HG SER 41 -0.374 9.411 -0.877 263 H SER 42 H SER 42 -0.459 9.411 -5.597 264 HA SER 42 HA SER 42 -1.347 12.189 -5.961 265 HB2 SER 42 2HB SER 42 1.248 11.132 -6.968 266 HB3 SER 42 1HB SER 42 0.319 12.105 -8.104 267 HG SER 42 HG SER 42 0.223 13.734 -6.489 268 H PHE 43 H PHE 43 -3.347 11.589 -6.824 269 HA PHE 43 HA PHE 43 -3.614 9.317 -8.672 270 HB2 PHE 43 2HB PHE 43 -5.294 11.140 -7.108 271 HB3 PHE 43 1HB PHE 43 -5.959 10.847 -8.712 272 HD1 PHE 43 HD2 PHE 43 -5.466 8.183 -9.427 273 HD2 PHE 43 HD1 PHE 43 -6.190 9.746 -5.491 274 HE1 PHE 43 HE2 PHE 43 -6.266 5.955 -8.690 275 HE2 PHE 43 HE1 PHE 43 -6.991 7.520 -4.752 276 HZ PHE 43 HZ PHE 43 -7.032 5.622 -6.352 277 H PHE 44 H PHE 44 -1.902 10.467 -10.135 278 HA PHE 44 HA PHE 44 -2.741 12.779 -11.687 279 HB2 PHE 44 2HB PHE 44 -0.427 11.103 -11.324 280 HB3 PHE 44 1HB PHE 44 -0.767 11.234 -13.049 281 HD1 PHE 44 HD1 PHE 44 -0.764 13.416 -14.182 282 HD2 PHE 44 HD2 PHE 44 0.177 13.055 -10.004 283 HE1 PHE 44 HE1 PHE 44 0.168 15.714 -14.194 284 HE2 PHE 44 HE2 PHE 44 1.106 15.352 -10.012 285 HZ PHE 44 HZ PHE 44 1.102 16.687 -12.107 286 H LYS 45 H LYS 45 -4.076 12.777 -13.429 287 HA LYS 45 HA LYS 45 -4.479 10.241 -14.963 288 HB2 LYS 45 2HB LYS 45 -6.878 10.615 -14.854 289 HB3 LYS 45 1HB LYS 45 -6.258 10.747 -13.208 290 HG2 LYS 45 2HG LYS 45 -6.138 13.227 -13.490 291 HG3 LYS 45 1HG LYS 45 -6.867 13.054 -15.087 292 HD2 LYS 45 2HD LYS 45 -8.865 12.011 -14.056 293 HD3 LYS 45 1HD LYS 45 -8.141 12.217 -12.460 294 HE2 LYS 45 2HE LYS 45 -8.315 14.644 -14.210 295 HE3 LYS 45 1HE LYS 45 -9.809 14.060 -13.445 296 HZ1 LYS 45 3HZ LYS 45 -8.358 15.623 -12.081 297 HZ2 LYS 45 1HZ LYS 45 -7.278 14.330 -11.930 298 HZ3 LYS 45 2HZ LYS 45 -8.858 14.190 -11.323 299 H ILE 46 H ILE 46 -6.543 11.654 -16.579 300 HA ILE 46 HA ILE 46 -4.730 13.122 -18.402 301 HB ILE 46 HB ILE 46 -7.642 12.275 -18.557 302 HG12 ILE 46 2HG1 ILE 46 -5.865 10.446 -18.401 303 HG13 ILE 46 1HG1 ILE 46 -6.878 10.395 -19.843 304 HG21 ILE 46 1HG2 ILE 46 -7.639 13.782 -20.262 305 HG22 ILE 46 2HG2 ILE 46 -6.776 12.515 -21.133 306 HG23 ILE 46 3HG2 ILE 46 -5.879 13.822 -20.361 307 HD11 ILE 46 3HD1 ILE 46 -4.192 10.259 -19.967 308 HD12 ILE 46 1HD1 ILE 46 -4.382 12.011 -20.018 309 HD13 ILE 46 2HD1 ILE 46 -5.156 11.006 -21.242 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -5.626 1.363 -4.124 2 H2 GLY 1 2H GLY 1 -6.854 2.510 -3.855 3 H3 GLY 1 3H GLY 1 -5.360 2.996 -4.496 4 HA2 GLY 1 2HA GLY 1 -5.951 2.515 -6.571 5 HA3 GLY 1 1HA GLY 1 -6.595 0.952 -6.074 6 HA HYP 2 HA HYP 2 -10.418 3.061 -7.125 7 HB2 HYP 2 1HB HYP 2 -11.986 0.832 -7.030 8 HB3 HYP 2 2HB HYP 2 -10.949 1.219 -8.414 9 HG HYP 2 HG HYP 2 -10.493 -0.676 -6.167 10 HD22 HYP 2 1HD HYP 2 -8.129 0.268 -7.690 11 HD23 HYP 2 2HD HYP 2 -8.269 -0.235 -5.990 12 HD1 HYP 2 HOD HYP 2 -9.597 -1.891 -7.944 13 H SER 3 H SER 3 -12.849 2.257 -5.987 14 HA SER 3 HA SER 3 -12.743 3.369 -3.348 15 HB2 SER 3 2HB SER 3 -15.114 1.926 -3.547 16 HB3 SER 3 1HB SER 3 -14.878 3.584 -4.083 17 HG SER 3 HG SER 3 -15.487 1.503 -5.565 18 H PHE 4 H PHE 4 -13.288 -0.033 -4.400 19 HA PHE 4 HA PHE 4 -13.233 -1.118 -1.716 20 HB2 PHE 4 2HB PHE 4 -13.996 -1.997 -4.175 21 HB3 PHE 4 1HB PHE 4 -12.423 -2.785 -4.049 22 HD1 PHE 4 HD2 PHE 4 -15.718 -2.367 -2.369 23 HD2 PHE 4 HD1 PHE 4 -12.077 -4.638 -2.579 24 HE1 PHE 4 HE2 PHE 4 -16.693 -4.071 -0.856 25 HE2 PHE 4 HE1 PHE 4 -13.054 -6.343 -1.065 26 HZ PHE 4 HZ PHE 4 -15.363 -6.061 -0.205 27 H CYS 5 H CYS 5 -11.436 -2.063 -0.612 28 HA CYS 5 HA CYS 5 -8.790 -2.106 -1.953 29 HB2 CYS 5 2HB CYS 5 -7.848 -0.445 -0.476 30 HB3 CYS 5 1HB CYS 5 -9.328 0.241 -1.146 31 H LYS 6 H LYS 6 -7.064 -2.878 -0.391 32 HA LYS 6 HA LYS 6 -8.052 -5.135 1.221 33 HB2 LYS 6 2HB LYS 6 -6.018 -4.935 -0.433 34 HB3 LYS 6 1HB LYS 6 -5.199 -4.197 0.941 35 HG2 LYS 6 2HG LYS 6 -4.660 -6.348 1.461 36 HG3 LYS 6 1HG LYS 6 -6.288 -6.390 2.136 37 HD2 LYS 6 2HD LYS 6 -7.101 -7.702 0.454 38 HD3 LYS 6 1HD LYS 6 -6.114 -6.912 -0.778 39 HE2 LYS 6 2HE LYS 6 -4.874 -8.731 1.309 40 HE3 LYS 6 1HE LYS 6 -5.512 -9.364 -0.219 41 HZ1 LYS 6 3HZ LYS 6 -3.657 -8.683 -1.204 42 HZ2 LYS 6 1HZ LYS 6 -3.077 -7.984 0.233 43 HZ3 LYS 6 2HZ LYS 6 -4.045 -7.064 -0.837 44 H ALA 7 H ALA 7 -7.370 -5.362 3.497 45 HA ALA 7 HA ALA 7 -7.368 -2.751 4.924 46 HB1 ALA 7 3HB ALA 7 -8.814 -3.925 6.197 47 HB2 ALA 7 1HB ALA 7 -7.480 -4.963 6.695 48 HB3 ALA 7 2HB ALA 7 -8.457 -5.397 5.294 49 H ASP 8 H ASP 8 -6.029 -2.818 7.051 50 HA ASP 8 HA ASP 8 -3.243 -2.989 6.436 51 HB2 ASP 8 2HB ASP 8 -4.792 -2.870 9.040 52 HB3 ASP 8 1HB ASP 8 -3.046 -2.653 8.937 53 H GLU 9 H GLU 9 -1.712 -4.338 7.896 54 HA GLU 9 HA GLU 9 -0.895 -6.409 8.661 55 HB2 GLU 9 2HB GLU 9 -3.394 -6.257 9.661 56 HB3 GLU 9 1HB GLU 9 -3.591 -7.670 8.622 57 HG2 GLU 9 2HG GLU 9 -1.548 -8.669 9.683 58 HG3 GLU 9 1HG GLU 9 -1.496 -7.300 10.791 59 H LYS 10 H LYS 10 -3.577 -6.969 6.361 60 HA LYS 10 HA LYS 10 -2.056 -9.130 5.064 61 HB2 LYS 10 2HB LYS 10 -4.149 -8.999 3.497 62 HB3 LYS 10 1HB LYS 10 -4.359 -9.577 5.143 63 HG2 LYS 10 2HG LYS 10 -4.668 -6.649 4.811 64 HG3 LYS 10 1HG LYS 10 -5.887 -7.626 3.994 65 HD2 LYS 10 2HD LYS 10 -5.161 -8.329 6.814 66 HD3 LYS 10 1HD LYS 10 -6.196 -6.927 6.545 67 HE2 LYS 10 2HE LYS 10 -7.868 -8.268 5.438 68 HE3 LYS 10 1HE LYS 10 -6.777 -9.666 5.357 69 HZ1 LYS 10 3HZ LYS 10 -7.070 -10.144 7.523 70 HZ2 LYS 10 1HZ LYS 10 -8.510 -9.268 7.360 71 HZ3 LYS 10 2HZ LYS 10 -7.131 -8.517 8.006 72 HA HYP 11 HA HYP 11 -0.135 -5.820 2.657 73 HB2 HYP 11 1HB HYP 11 1.837 -7.414 1.638 74 HB3 HYP 11 2HB HYP 11 1.913 -6.699 3.257 75 HG HYP 11 HG HYP 11 2.128 -8.878 3.831 76 HD22 HYP 11 1HD HYP 11 0.308 -8.439 5.084 77 HD23 HYP 11 2HD HYP 11 -0.450 -9.658 4.039 78 HD1 HYP 11 HOD HYP 11 2.015 -9.777 1.733 79 H CYS 12 H CYS 12 1.015 -6.259 0.236 80 HA CYS 12 HA CYS 12 -0.843 -7.839 -1.486 81 HB2 CYS 12 2HB CYS 12 -1.679 -5.931 -2.620 82 HB3 CYS 12 1HB CYS 12 -1.705 -5.452 -0.926 83 H GLU 13 H GLU 13 -0.083 -6.860 -3.950 84 HA GLU 13 HA GLU 13 2.756 -7.708 -4.077 85 HB2 GLU 13 2HB GLU 13 0.350 -7.861 -5.706 86 HB3 GLU 13 1HB GLU 13 1.705 -7.236 -6.642 87 HG2 GLU 13 2HG GLU 13 2.932 -9.267 -5.305 88 HG3 GLU 13 1HG GLU 13 1.306 -9.931 -5.485 89 H TYR 14 H TYR 14 0.690 -4.920 -4.820 90 HA TYR 14 HA TYR 14 3.131 -3.355 -5.572 91 HB2 TYR 14 2HB TYR 14 0.264 -2.598 -6.190 92 HB3 TYR 14 1HB TYR 14 1.731 -2.123 -7.042 93 HD1 TYR 14 HD1 TYR 14 3.148 -4.261 -7.958 94 HD2 TYR 14 HD2 TYR 14 -1.084 -4.170 -7.217 95 HE1 TYR 14 HE1 TYR 14 2.834 -6.175 -9.509 96 HE2 TYR 14 HE2 TYR 14 -1.394 -6.085 -8.764 97 HH TYR 14 HH TYR 14 0.886 -8.100 -9.694 98 H HIS 15 H HIS 15 0.850 -1.078 -5.168 99 HA HIS 15 HA HIS 15 1.105 -0.949 -2.188 100 HB2 HIS 15 2HB HIS 15 2.363 0.688 -4.243 101 HB3 HIS 15 1HB HIS 15 1.400 1.673 -3.139 102 HD1 HIS 15 HD1 HIS 15 3.905 2.507 -2.389 103 HD2 HIS 15 HD2 HIS 15 2.832 -1.378 -1.305 104 HE1 HIS 15 HE1 HIS 15 5.501 1.803 -0.551 105 H ALA 16 H ALA 16 -0.835 -0.262 -5.028 106 HA ALA 16 HA ALA 16 -2.711 1.468 -3.576 107 HB1 ALA 16 3HB ALA 16 -3.165 2.121 -5.691 108 HB2 ALA 16 1HB ALA 16 -3.640 0.478 -6.130 109 HB3 ALA 16 2HB ALA 16 -1.952 0.969 -6.250 110 H ASP 17 H ASP 17 -2.237 -1.834 -3.595 111 HA ASP 17 HA ASP 17 -4.882 -2.922 -3.918 112 HB2 ASP 17 2HB ASP 17 -2.718 -4.161 -3.930 113 HB3 ASP 17 1HB ASP 17 -2.522 -3.800 -2.219 114 H CYS 18 H CYS 18 -3.108 -1.679 -1.085 115 HA CYS 18 HA CYS 18 -5.417 -2.163 0.713 116 HB2 CYS 18 2HB CYS 18 -2.559 -1.328 0.907 117 HB3 CYS 18 1HB CYS 18 -3.636 -0.785 2.192 118 H CYS 19 H CYS 19 -6.421 -0.363 1.909 119 HA CYS 19 HA CYS 19 -7.080 1.943 0.311 120 HB2 CYS 19 2HB CYS 19 -7.564 0.890 3.019 121 HB3 CYS 19 1HB CYS 19 -7.615 2.651 2.919 122 H ASN 20 H ASN 20 -4.193 1.259 1.977 123 HA ASN 20 HA ASN 20 -3.370 4.110 1.814 124 HB2 ASN 20 2HB ASN 20 -2.889 2.293 4.201 125 HB3 ASN 20 1HB ASN 20 -2.457 4.000 4.070 126 HD21 ASN 20 1HD2 ASN 20 -5.082 1.779 4.742 127 HD22 ASN 20 2HD2 ASN 20 -6.268 2.958 5.021 128 H CYS 21 H CYS 21 -1.799 1.147 3.138 129 HA CYS 21 HA CYS 21 0.047 1.102 0.785 130 HB2 CYS 21 2HB CYS 21 0.673 1.829 3.627 131 HB3 CYS 21 1HB CYS 21 1.895 0.981 2.679 132 H CYS 22 H CYS 22 0.988 -0.990 0.469 133 HA CYS 22 HA CYS 22 0.520 -3.048 2.559 134 HB2 CYS 22 2HB CYS 22 -0.386 -4.541 0.672 135 HB3 CYS 22 1HB CYS 22 -1.451 -3.270 1.248 136 H LEU 23 H LEU 23 2.886 -2.859 2.711 137 HA LEU 23 HA LEU 23 4.545 -3.526 0.387 138 HB2 LEU 23 2HB LEU 23 4.921 -3.126 3.354 139 HB3 LEU 23 1HB LEU 23 6.241 -3.774 2.380 140 HG LEU 23 HG LEU 23 4.808 -1.300 1.449 141 HD11 LEU 23 1HD1 LEU 23 6.640 -0.020 2.684 142 HD12 LEU 23 2HD1 LEU 23 6.913 -1.491 3.616 143 HD13 LEU 23 3HD1 LEU 23 5.352 -0.674 3.695 144 HD21 LEU 23 3HD2 LEU 23 7.562 -2.516 1.154 145 HD22 LEU 23 1HD2 LEU 23 7.210 -0.857 0.676 146 HD23 LEU 23 2HD2 LEU 23 6.372 -2.196 -0.110 147 H SER 24 H SER 24 5.830 -5.517 0.227 148 HA SER 24 HA SER 24 4.477 -7.928 0.361 149 HB2 SER 24 2HB SER 24 7.227 -8.441 0.928 150 HB3 SER 24 1HB SER 24 6.420 -8.502 -0.634 151 HG SER 24 HG SER 24 7.885 -6.934 -0.912 152 H GLY 25 H GLY 25 6.326 -6.406 2.960 153 HA2 GLY 25 2HA GLY 25 6.307 -8.606 4.785 154 HA3 GLY 25 1HA GLY 25 6.500 -6.918 5.240 155 H ILE 26 H ILE 26 4.149 -5.730 4.638 156 HA ILE 26 HA ILE 26 1.789 -7.282 5.297 157 HB ILE 26 HB ILE 26 3.568 -6.333 7.409 158 HG12 ILE 26 2HG1 ILE 26 0.993 -7.752 7.940 159 HG13 ILE 26 1HG1 ILE 26 2.210 -8.580 6.968 160 HG21 ILE 26 1HG2 ILE 26 0.661 -5.476 7.612 161 HG22 ILE 26 2HG2 ILE 26 2.040 -4.388 7.469 162 HG23 ILE 26 3HG2 ILE 26 1.857 -5.389 8.907 163 HD11 ILE 26 3HD1 ILE 26 2.453 -9.069 9.392 164 HD12 ILE 26 1HD1 ILE 26 2.710 -7.350 9.692 165 HD13 ILE 26 2HD1 ILE 26 3.875 -8.262 8.732 166 H CYS 27 H CYS 27 -0.145 -5.819 5.609 167 HA CYS 27 HA CYS 27 0.106 -3.355 4.005 168 HB2 CYS 27 2HB CYS 27 -1.761 -4.918 3.696 169 HB3 CYS 27 1HB CYS 27 -2.239 -4.702 5.376 170 H ALA 28 H ALA 28 -0.125 -1.258 4.807 171 HA ALA 28 HA ALA 28 -0.786 -0.838 7.666 172 HB1 ALA 28 3HB ALA 28 1.590 0.577 7.369 173 HB2 ALA 28 1HB ALA 28 1.912 -0.921 6.493 174 HB3 ALA 28 2HB ALA 28 1.432 -0.975 8.192 175 HA HYP 29 HA HYP 29 -2.144 3.138 6.294 176 HB2 HYP 29 1HB HYP 29 -1.130 4.892 8.134 177 HB3 HYP 29 2HB HYP 29 -2.473 3.787 8.489 178 HG HYP 29 HG HYP 29 0.433 3.506 9.109 179 HD22 HYP 29 1HD HYP 29 -1.324 1.106 9.137 180 HD23 HYP 29 2HD HYP 29 0.427 1.238 8.874 181 HD1 HYP 29 HOD HYP 29 -1.775 2.553 10.640 182 H SER 30 H SER 30 -1.413 5.260 5.377 183 HA SER 30 HA SER 30 1.344 5.034 4.273 184 HB2 SER 30 2HB SER 30 -0.840 6.981 3.496 185 HB3 SER 30 1HB SER 30 0.503 6.405 2.514 186 HG SER 30 HG SER 30 -1.007 5.065 1.842 187 H THR 31 H THR 31 0.060 6.523 6.946 188 HA THR 31 HA THR 31 1.218 9.188 6.594 189 HB THR 31 HB THR 31 -0.822 8.572 7.971 190 HG1 THR 31 HG1 THR 31 0.384 10.520 8.296 191 HG21 THR 31 3HG2 THR 31 0.535 6.543 8.992 192 HG22 THR 31 1HG2 THR 31 -0.680 7.378 9.959 193 HG23 THR 31 2HG2 THR 31 1.031 7.748 10.179 194 H ASN 32 H ASN 32 3.420 8.682 6.073 195 HA ASN 32 HA ASN 32 5.047 7.559 8.321 196 HB2 ASN 32 2HB ASN 32 5.024 7.275 5.362 197 HB3 ASN 32 1HB ASN 32 6.621 7.379 6.099 198 HD21 ASN 32 1HD2 ASN 32 3.651 5.841 7.464 199 HD22 ASN 32 2HD2 ASN 32 4.331 4.292 7.581 200 H TRP 33 H TRP 33 7.252 8.549 8.487 201 HA TRP 33 HA TRP 33 7.383 11.354 7.465 202 HB2 TRP 33 2HB TRP 33 8.487 11.721 9.876 203 HB3 TRP 33 1HB TRP 33 6.752 11.846 9.631 204 HD1 TRP 33 HD1 TRP 33 5.500 9.233 9.936 205 HE1 TRP 33 HE1 TRP 33 5.838 7.641 11.935 206 HE3 TRP 33 HE3 TRP 33 9.899 11.063 11.779 207 HZ2 TRP 33 HZ2 TRP 33 7.715 7.207 14.055 208 HZ3 TRP 33 HZ3 TRP 33 10.926 10.041 13.803 209 HH2 TRP 33 HH2 TRP 33 9.836 8.126 14.932 210 H ILE 34 H ILE 34 9.488 9.256 9.508 211 HA ILE 34 HA ILE 34 11.739 9.893 7.637 212 HB ILE 34 HB ILE 34 13.164 9.202 9.505 213 HG12 ILE 34 2HG1 ILE 34 10.637 8.639 11.075 214 HG13 ILE 34 1HG1 ILE 34 11.563 7.375 10.266 215 HG21 ILE 34 1HG2 ILE 34 12.585 11.471 9.728 216 HG22 ILE 34 2HG2 ILE 34 12.184 10.792 11.306 217 HG23 ILE 34 3HG2 ILE 34 10.907 11.096 10.131 218 HD11 ILE 34 3HD1 ILE 34 12.115 7.802 12.739 219 HD12 ILE 34 1HD1 ILE 34 12.853 9.308 12.192 220 HD13 ILE 34 2HD1 ILE 34 13.476 7.761 11.617 221 H LEU 35 H LEU 35 9.440 7.703 7.590 222 HA LEU 35 HA LEU 35 11.204 5.317 7.239 223 HB2 LEU 35 2HB LEU 35 8.264 5.757 7.835 224 HB3 LEU 35 1HB LEU 35 8.893 4.179 7.363 225 HG LEU 35 HG LEU 35 10.518 5.418 9.448 226 HD11 LEU 35 1HD1 LEU 35 8.041 6.228 9.840 227 HD12 LEU 35 2HD1 LEU 35 8.979 5.594 11.192 228 HD13 LEU 35 3HD1 LEU 35 7.793 4.569 10.381 229 HD21 LEU 35 3HD2 LEU 35 9.784 3.149 10.532 230 HD22 LEU 35 1HD2 LEU 35 10.828 3.119 9.111 231 HD23 LEU 35 2HD2 LEU 35 9.100 2.812 8.942 232 HA PRO 36 HA PRO 36 10.348 6.364 2.918 233 HB2 PRO 36 2HB PRO 36 12.257 4.688 1.874 234 HB3 PRO 36 1HB PRO 36 12.625 6.304 2.514 235 HG2 PRO 36 2HG PRO 36 12.974 3.635 3.788 236 HG3 PRO 36 1HG PRO 36 14.025 5.059 3.853 237 HD2 PRO 36 2HD PRO 36 12.344 4.344 5.879 238 HD3 PRO 36 1HD PRO 36 12.832 6.025 5.556 239 H GLY 37 H GLY 37 8.367 4.927 3.847 240 HA2 GLY 37 2HA GLY 37 8.419 2.214 2.622 241 HA3 GLY 37 1HA GLY 37 7.204 2.804 3.763 242 H CYS 38 H CYS 38 6.167 5.009 2.748 243 HA CYS 38 HA CYS 38 5.331 4.286 -0.041 244 HB2 CYS 38 2HB CYS 38 3.760 5.705 2.152 245 HB3 CYS 38 1HB CYS 38 3.138 5.204 0.580 246 H SER 39 H SER 39 7.576 5.925 0.222 247 HA SER 39 HA SER 39 6.503 8.695 -0.271 248 HB2 SER 39 2HB SER 39 9.294 7.683 0.458 249 HB3 SER 39 1HB SER 39 8.838 9.374 0.242 250 HG SER 39 HG SER 39 8.787 8.600 2.458 251 H THR 40 H THR 40 5.885 7.877 -2.439 252 HA THR 40 HA THR 40 7.712 6.844 -4.364 253 HB THR 40 HB THR 40 5.912 7.876 -5.937 254 HG1 THR 40 HG1 THR 40 4.509 9.127 -5.022 255 HG21 THR 40 3HG2 THR 40 4.581 6.020 -5.578 256 HG22 THR 40 1HG2 THR 40 4.646 6.195 -3.826 257 HG23 THR 40 2HG2 THR 40 6.029 5.529 -4.694 258 H SER 41 H SER 41 7.065 10.184 -3.371 259 HA SER 41 HA SER 41 8.772 11.219 -5.586 260 HB2 SER 41 2HB SER 41 6.393 12.048 -4.564 261 HB3 SER 41 1HB SER 41 7.499 13.022 -3.587 262 HG SER 41 HG SER 41 6.738 13.531 -6.006 263 H SER 42 H SER 42 10.417 9.848 -3.858 264 HA SER 42 HA SER 42 12.062 12.005 -2.727 265 HB2 SER 42 2HB SER 42 11.945 11.096 -0.401 266 HB3 SER 42 1HB SER 42 10.387 11.697 -0.955 267 HG SER 42 HG SER 42 10.881 9.033 -1.528 268 H PHE 43 H PHE 43 14.075 11.354 -3.342 269 HA PHE 43 HA PHE 43 14.793 8.445 -3.122 270 HB2 PHE 43 2HB PHE 43 15.606 10.548 -5.166 271 HB3 PHE 43 1HB PHE 43 16.250 8.909 -5.114 272 HD1 PHE 43 HD2 PHE 43 14.231 7.067 -4.803 273 HD2 PHE 43 HD1 PHE 43 13.927 10.892 -6.737 274 HE1 PHE 43 HE2 PHE 43 12.280 6.257 -6.098 275 HE2 PHE 43 HE1 PHE 43 11.976 10.082 -8.031 276 HZ PHE 43 HZ PHE 43 11.147 7.766 -7.708 277 H PHE 44 H PHE 44 15.143 10.119 -0.947 278 HA PHE 44 HA PHE 44 17.976 11.061 -0.985 279 HB2 PHE 44 2HB PHE 44 15.443 11.643 0.449 280 HB3 PHE 44 1HB PHE 44 16.885 11.713 1.454 281 HD1 PHE 44 HD1 PHE 44 16.155 12.639 -2.118 282 HD2 PHE 44 HD2 PHE 44 17.621 13.901 1.718 283 HE1 PHE 44 HE1 PHE 44 16.705 14.865 -3.061 284 HE2 PHE 44 HE2 PHE 44 18.172 16.126 0.775 285 HZ PHE 44 HZ PHE 44 17.715 16.609 -1.615 286 H LYS 45 H LYS 45 18.336 10.738 1.865 287 HA LYS 45 HA LYS 45 19.066 7.885 1.953 288 HB2 LYS 45 2HB LYS 45 20.361 8.592 3.890 289 HB3 LYS 45 1HB LYS 45 20.543 9.833 2.652 290 HG2 LYS 45 2HG LYS 45 19.013 11.303 3.749 291 HG3 LYS 45 1HG LYS 45 18.414 10.017 4.796 292 HD2 LYS 45 2HD LYS 45 21.066 9.976 5.427 293 HD3 LYS 45 1HD LYS 45 20.834 11.689 5.065 294 HE2 LYS 45 2HE LYS 45 18.665 11.417 6.562 295 HE3 LYS 45 1HE LYS 45 19.551 10.029 7.225 296 HZ1 LYS 45 3HZ LYS 45 21.457 11.460 7.613 297 HZ2 LYS 45 1HZ LYS 45 20.098 12.086 8.407 298 HZ3 LYS 45 2HZ LYS 45 20.633 12.792 6.958 299 H ILE 46 H ILE 46 18.745 8.012 4.988 300 HA ILE 46 HA ILE 46 15.963 7.024 5.091 301 HB ILE 46 HB ILE 46 18.189 7.180 7.147 302 HG12 ILE 46 2HG1 ILE 46 18.735 5.833 5.089 303 HG13 ILE 46 1HG1 ILE 46 18.694 4.870 6.564 304 HG21 ILE 46 1HG2 ILE 46 15.654 5.506 7.077 305 HG22 ILE 46 2HG2 ILE 46 15.941 6.887 8.135 306 HG23 ILE 46 3HG2 ILE 46 16.902 5.420 8.318 307 HD11 ILE 46 3HD1 ILE 46 16.072 5.043 5.282 308 HD12 ILE 46 1HD1 ILE 46 16.967 3.621 5.816 309 HD13 ILE 46 2HD1 ILE 46 17.288 4.319 4.228 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -9.414 3.817 -10.601 2 H2 GLY 1 2H GLY 1 -10.253 2.677 -11.539 3 H3 GLY 1 3H GLY 1 -9.672 2.253 -10.001 4 HA2 GLY 1 2HA GLY 1 -11.466 4.530 -10.083 5 HA3 GLY 1 1HA GLY 1 -12.190 2.962 -10.446 6 HA HYP 2 HA HYP 2 -10.947 3.461 -5.839 7 HB2 HYP 2 1HB HYP 2 -12.883 5.066 -4.767 8 HB3 HYP 2 2HB HYP 2 -11.330 5.687 -5.369 9 HG HYP 2 HG HYP 2 -13.998 5.673 -6.663 10 HD22 HYP 2 1HD HYP 2 -11.648 5.955 -8.443 11 HD23 HYP 2 2HD HYP 2 -13.228 5.200 -8.741 12 HD1 HYP 2 HOD HYP 2 -13.464 7.764 -7.049 13 H SER 3 H SER 3 -11.728 1.689 -4.773 14 HA SER 3 HA SER 3 -14.604 1.206 -4.474 15 HB2 SER 3 2HB SER 3 -14.203 -1.167 -5.484 16 HB3 SER 3 1HB SER 3 -14.397 0.181 -6.599 17 HG SER 3 HG SER 3 -11.983 -1.033 -5.704 18 H PHE 4 H PHE 4 -14.472 -1.441 -3.518 19 HA PHE 4 HA PHE 4 -13.512 -1.199 -0.903 20 HB2 PHE 4 2HB PHE 4 -13.852 -3.579 -0.769 21 HB3 PHE 4 1HB PHE 4 -15.033 -2.965 -1.918 22 HD1 PHE 4 HD2 PHE 4 -11.932 -4.904 -1.499 23 HD2 PHE 4 HD1 PHE 4 -14.818 -3.428 -4.319 24 HE1 PHE 4 HE2 PHE 4 -11.034 -6.446 -3.224 25 HE2 PHE 4 HE1 PHE 4 -13.924 -4.971 -6.045 26 HZ PHE 4 HZ PHE 4 -12.028 -6.480 -5.498 27 H CYS 5 H CYS 5 -11.514 -1.537 0.091 28 HA CYS 5 HA CYS 5 -9.196 -2.207 -1.716 29 HB2 CYS 5 2HB CYS 5 -7.972 -0.472 -0.594 30 HB3 CYS 5 1HB CYS 5 -9.546 0.218 -0.994 31 H LYS 6 H LYS 6 -7.242 -2.945 -0.396 32 HA LYS 6 HA LYS 6 -8.069 -5.059 1.455 33 HB2 LYS 6 2HB LYS 6 -6.200 -5.093 -0.324 34 HB3 LYS 6 1HB LYS 6 -5.266 -4.107 0.797 35 HG2 LYS 6 2HG LYS 6 -5.371 -5.832 2.500 36 HG3 LYS 6 1HG LYS 6 -6.468 -6.796 1.511 37 HD2 LYS 6 2HD LYS 6 -4.004 -6.074 0.093 38 HD3 LYS 6 1HD LYS 6 -3.700 -7.030 1.544 39 HE2 LYS 6 2HE LYS 6 -5.546 -8.620 0.692 40 HE3 LYS 6 1HE LYS 6 -5.401 -7.766 -0.854 41 HZ1 LYS 6 3HZ LYS 6 -2.826 -8.382 0.253 42 HZ2 LYS 6 1HZ LYS 6 -3.464 -8.764 -1.277 43 HZ3 LYS 6 2HZ LYS 6 -3.760 -9.790 0.044 44 H ALA 7 H ALA 7 -7.320 -5.161 3.672 45 HA ALA 7 HA ALA 7 -7.123 -2.487 4.963 46 HB1 ALA 7 3HB ALA 7 -8.347 -5.057 5.518 47 HB2 ALA 7 1HB ALA 7 -8.667 -3.494 6.270 48 HB3 ALA 7 2HB ALA 7 -7.372 -4.522 6.885 49 H ASP 8 H ASP 8 -5.805 -2.637 7.119 50 HA ASP 8 HA ASP 8 -3.037 -2.940 6.487 51 HB2 ASP 8 2HB ASP 8 -4.532 -2.773 9.125 52 HB3 ASP 8 1HB ASP 8 -2.786 -2.576 8.956 53 H GLU 9 H GLU 9 -1.591 -4.360 8.041 54 HA GLU 9 HA GLU 9 -0.921 -6.485 8.821 55 HB2 GLU 9 2HB GLU 9 -3.480 -6.236 9.670 56 HB3 GLU 9 1HB GLU 9 -3.680 -7.593 8.563 57 HG2 GLU 9 2HG GLU 9 -1.574 -8.567 9.777 58 HG3 GLU 9 1HG GLU 9 -1.991 -7.416 11.045 59 H LYS 10 H LYS 10 -3.572 -6.975 6.480 60 HA LYS 10 HA LYS 10 -2.076 -9.098 5.096 61 HB2 LYS 10 2HB LYS 10 -4.171 -8.910 3.547 62 HB3 LYS 10 1HB LYS 10 -4.395 -9.497 5.189 63 HG2 LYS 10 2HG LYS 10 -5.234 -7.366 5.921 64 HG3 LYS 10 1HG LYS 10 -4.771 -6.592 4.405 65 HD2 LYS 10 2HD LYS 10 -6.846 -7.058 3.647 66 HD3 LYS 10 1HD LYS 10 -6.380 -8.756 3.632 67 HE2 LYS 10 2HE LYS 10 -7.489 -7.365 6.096 68 HE3 LYS 10 1HE LYS 10 -8.492 -8.282 4.956 69 HZ1 LYS 10 3HZ LYS 10 -7.831 -9.848 6.554 70 HZ2 LYS 10 1HZ LYS 10 -6.243 -9.269 6.624 71 HZ3 LYS 10 2HZ LYS 10 -6.775 -10.126 5.258 72 HA HYP 11 HA HYP 11 -0.168 -5.837 2.667 73 HB2 HYP 11 1HB HYP 11 1.854 -7.387 1.706 74 HB3 HYP 11 2HB HYP 11 1.856 -6.693 3.334 75 HG HYP 11 HG HYP 11 2.072 -8.838 3.953 76 HD22 HYP 11 1HD HYP 11 0.133 -8.686 5.058 77 HD23 HYP 11 2HD HYP 11 -0.532 -9.742 3.798 78 HD1 HYP 11 HOD HYP 11 2.196 -9.690 1.795 79 H CYS 12 H CYS 12 1.035 -6.234 0.275 80 HA CYS 12 HA CYS 12 -0.670 -7.933 -1.472 81 HB2 CYS 12 2HB CYS 12 -1.763 -6.174 -2.523 82 HB3 CYS 12 1HB CYS 12 -1.585 -5.474 -0.919 83 H GLU 13 H GLU 13 0.100 -7.399 -3.897 84 HA GLU 13 HA GLU 13 3.016 -7.739 -3.931 85 HB2 GLU 13 2HB GLU 13 0.928 -8.655 -5.444 86 HB3 GLU 13 1HB GLU 13 1.505 -7.333 -6.456 87 HG2 GLU 13 2HG GLU 13 3.281 -8.542 -7.121 88 HG3 GLU 13 1HG GLU 13 3.757 -8.842 -5.450 89 H TYR 14 H TYR 14 0.689 -5.335 -5.221 90 HA TYR 14 HA TYR 14 2.875 -3.487 -5.974 91 HB2 TYR 14 2HB TYR 14 -0.131 -3.033 -5.963 92 HB3 TYR 14 1HB TYR 14 1.072 -2.192 -6.936 93 HD1 TYR 14 HD2 TYR 14 2.719 -4.276 -8.087 94 HD2 TYR 14 HD1 TYR 14 -1.511 -4.273 -7.338 95 HE1 TYR 14 HE2 TYR 14 2.393 -5.951 -9.888 96 HE2 TYR 14 HE1 TYR 14 -1.834 -5.946 -9.140 97 HH TYR 14 HH TYR 14 0.162 -7.857 -10.253 98 H HIS 15 H HIS 15 0.928 -1.208 -5.160 99 HA HIS 15 HA HIS 15 1.417 -1.252 -2.207 100 HB2 HIS 15 2HB HIS 15 2.302 0.683 -4.312 101 HB3 HIS 15 1HB HIS 15 1.949 1.294 -2.697 102 HD1 HIS 15 HD1 HIS 15 3.015 -1.476 -1.312 103 HD2 HIS 15 HD2 HIS 15 5.105 0.991 -3.947 104 HE1 HIS 15 HE1 HIS 15 5.474 -1.893 -0.889 105 H ALA 16 H ALA 16 -0.828 -0.670 -4.733 106 HA ALA 16 HA ALA 16 -2.440 1.242 -3.108 107 HB1 ALA 16 3HB ALA 16 -3.817 1.049 -5.362 108 HB2 ALA 16 1HB ALA 16 -2.330 0.326 -5.964 109 HB3 ALA 16 2HB ALA 16 -2.309 1.969 -5.319 110 H ASP 17 H ASP 17 -2.193 -2.111 -3.413 111 HA ASP 17 HA ASP 17 -4.848 -3.063 -3.657 112 HB2 ASP 17 2HB ASP 17 -2.422 -4.142 -3.245 113 HB3 ASP 17 1HB ASP 17 -3.033 -4.228 -1.593 114 H CYS 18 H CYS 18 -3.141 -1.843 -0.778 115 HA CYS 18 HA CYS 18 -5.603 -2.077 0.866 116 HB2 CYS 18 2HB CYS 18 -2.678 -1.584 1.293 117 HB3 CYS 18 1HB CYS 18 -3.791 -0.943 2.501 118 H CYS 19 H CYS 19 -6.475 -0.148 1.941 119 HA CYS 19 HA CYS 19 -6.848 2.123 0.261 120 HB2 CYS 19 2HB CYS 19 -7.390 1.360 3.077 121 HB3 CYS 19 1HB CYS 19 -7.467 3.085 2.705 122 H ASN 20 H ASN 20 -4.016 1.380 2.018 123 HA ASN 20 HA ASN 20 -3.122 4.222 1.744 124 HB2 ASN 20 2HB ASN 20 -2.590 2.377 4.103 125 HB3 ASN 20 1HB ASN 20 -2.047 4.047 3.941 126 HD21 ASN 20 1HD2 ASN 20 -4.899 2.008 4.442 127 HD22 ASN 20 2HD2 ASN 20 -5.925 3.266 4.920 128 H CYS 21 H CYS 21 -1.650 1.165 2.908 129 HA CYS 21 HA CYS 21 0.137 1.071 0.534 130 HB2 CYS 21 2HB CYS 21 0.891 1.925 3.297 131 HB3 CYS 21 1HB CYS 21 2.028 0.891 2.436 132 H CYS 22 H CYS 22 0.777 -1.039 0.115 133 HA CYS 22 HA CYS 22 0.298 -3.092 2.249 134 HB2 CYS 22 2HB CYS 22 -0.494 -4.557 0.312 135 HB3 CYS 22 1HB CYS 22 -1.559 -3.226 0.733 136 H LEU 23 H LEU 23 2.688 -2.889 2.573 137 HA LEU 23 HA LEU 23 4.492 -3.561 0.368 138 HB2 LEU 23 2HB LEU 23 4.622 -2.973 3.298 139 HB3 LEU 23 1HB LEU 23 5.979 -3.858 2.603 140 HG LEU 23 HG LEU 23 4.991 -1.433 1.146 141 HD11 LEU 23 1HD1 LEU 23 6.512 -1.448 3.754 142 HD12 LEU 23 2HD1 LEU 23 5.130 -0.453 3.297 143 HD13 LEU 23 3HD1 LEU 23 6.711 -0.143 2.583 144 HD21 LEU 23 3HD2 LEU 23 7.822 -2.317 1.719 145 HD22 LEU 23 1HD2 LEU 23 7.226 -1.355 0.365 146 HD23 LEU 23 2HD2 LEU 23 6.869 -3.080 0.446 147 H SER 24 H SER 24 5.655 -5.554 0.148 148 HA SER 24 HA SER 24 4.318 -7.951 0.301 149 HB2 SER 24 2HB SER 24 6.758 -8.893 0.513 150 HB3 SER 24 1HB SER 24 6.336 -7.908 -0.884 151 HG SER 24 HG SER 24 8.090 -7.422 1.147 152 H GLY 25 H GLY 25 6.270 -6.546 2.910 153 HA2 GLY 25 2HA GLY 25 6.111 -8.786 4.674 154 HA3 GLY 25 1HA GLY 25 6.417 -7.124 5.179 155 H ILE 26 H ILE 26 4.117 -5.787 4.611 156 HA ILE 26 HA ILE 26 1.695 -7.232 5.366 157 HB ILE 26 HB ILE 26 3.599 -6.288 7.373 158 HG12 ILE 26 2HG1 ILE 26 0.975 -7.572 8.018 159 HG13 ILE 26 1HG1 ILE 26 2.154 -8.488 7.083 160 HG21 ILE 26 1HG2 ILE 26 2.179 -4.275 7.447 161 HG22 ILE 26 2HG2 ILE 26 1.981 -5.245 8.907 162 HG23 ILE 26 3HG2 ILE 26 0.750 -5.289 7.646 163 HD11 ILE 26 3HD1 ILE 26 2.759 -7.135 9.725 164 HD12 ILE 26 1HD1 ILE 26 3.818 -8.226 8.828 165 HD13 ILE 26 2HD1 ILE 26 2.338 -8.839 9.564 166 H CYS 27 H CYS 27 -0.160 -5.687 5.644 167 HA CYS 27 HA CYS 27 0.223 -3.275 3.978 168 HB2 CYS 27 2HB CYS 27 -1.960 -4.993 4.890 169 HB3 CYS 27 1HB CYS 27 -2.372 -3.281 4.977 170 H ALA 28 H ALA 28 0.093 -1.132 4.729 171 HA ALA 28 HA ALA 28 -0.296 -0.719 7.674 172 HB1 ALA 28 3HB ALA 28 1.873 -0.116 7.897 173 HB2 ALA 28 1HB ALA 28 1.754 0.991 6.528 174 HB3 ALA 28 2HB ALA 28 2.139 -0.710 6.256 175 HA HYP 29 HA HYP 29 -2.609 2.843 6.585 176 HB2 HYP 29 1HB HYP 29 -1.796 4.710 8.410 177 HB3 HYP 29 2HB HYP 29 -2.826 3.326 8.821 178 HG HYP 29 HG HYP 29 0.111 3.670 9.175 179 HD22 HYP 29 1HD HYP 29 -1.044 0.929 9.201 180 HD23 HYP 29 2HD HYP 29 0.584 1.480 8.750 181 HD1 HYP 29 HOD HYP 29 -0.555 2.373 11.119 182 H SER 30 H SER 30 -2.317 5.360 6.156 183 HA SER 30 HA SER 30 -0.198 5.644 4.157 184 HB2 SER 30 2HB SER 30 -1.441 8.083 4.416 185 HB3 SER 30 1HB SER 30 -2.034 6.765 3.411 186 HG SER 30 HG SER 30 -3.608 6.421 4.797 187 H THR 31 H THR 31 -0.729 6.776 7.465 188 HA THR 31 HA THR 31 1.391 8.777 7.333 189 HB THR 31 HB THR 31 -0.665 8.874 8.788 190 HG1 THR 31 HG1 THR 31 0.507 9.596 10.627 191 HG21 THR 31 3HG2 THR 31 -0.223 6.307 9.420 192 HG22 THR 31 1HG2 THR 31 -1.063 7.404 10.517 193 HG23 THR 31 2HG2 THR 31 0.649 7.052 10.758 194 H ASN 32 H ASN 32 3.467 8.102 7.171 195 HA ASN 32 HA ASN 32 4.314 5.664 8.697 196 HB2 ASN 32 2HB ASN 32 5.403 6.848 6.121 197 HB3 ASN 32 1HB ASN 32 5.942 5.348 6.873 198 HD21 ASN 32 1HD2 ASN 32 3.533 4.083 7.546 199 HD22 ASN 32 2HD2 ASN 32 2.611 3.814 6.149 200 H TRP 33 H TRP 33 6.754 5.751 9.193 201 HA TRP 33 HA TRP 33 7.627 8.553 9.804 202 HB2 TRP 33 2HB TRP 33 8.624 7.212 11.931 203 HB3 TRP 33 1HB TRP 33 7.036 7.959 11.949 204 HD1 TRP 33 HD1 TRP 33 4.994 6.197 11.112 205 HE1 TRP 33 HE1 TRP 33 4.659 3.739 11.812 206 HE3 TRP 33 HE3 TRP 33 9.701 5.106 12.724 207 HZ2 TRP 33 HZ2 TRP 33 6.198 1.594 12.915 208 HZ3 TRP 33 HZ3 TRP 33 10.246 2.859 13.595 209 HH2 TRP 33 HH2 TRP 33 8.492 1.097 13.693 210 H ILE 34 H ILE 34 8.888 5.225 10.159 211 HA ILE 34 HA ILE 34 11.317 6.070 8.594 212 HB ILE 34 HB ILE 34 11.335 4.104 10.887 213 HG12 ILE 34 2HG1 ILE 34 10.364 6.411 11.526 214 HG13 ILE 34 1HG1 ILE 34 11.734 5.825 12.466 215 HG21 ILE 34 1HG2 ILE 34 13.332 4.082 9.550 216 HG22 ILE 34 2HG2 ILE 34 13.713 4.963 11.029 217 HG23 ILE 34 3HG2 ILE 34 13.413 5.845 9.532 218 HD11 ILE 34 3HD1 ILE 34 12.044 7.643 10.065 219 HD12 ILE 34 1HD1 ILE 34 13.268 7.224 11.264 220 HD13 ILE 34 2HD1 ILE 34 11.906 8.247 11.715 221 H LEU 35 H LEU 35 8.800 4.573 7.879 222 HA LEU 35 HA LEU 35 9.999 1.920 7.140 223 HB2 LEU 35 2HB LEU 35 7.127 2.861 7.420 224 HB3 LEU 35 1HB LEU 35 7.603 1.241 6.912 225 HG LEU 35 HG LEU 35 8.467 2.488 9.542 226 HD11 LEU 35 1HD1 LEU 35 6.785 0.940 10.540 227 HD12 LEU 35 2HD1 LEU 35 6.193 0.587 8.918 228 HD13 LEU 35 3HD1 LEU 35 6.058 2.219 9.573 229 HD21 LEU 35 3HD2 LEU 35 9.972 0.746 8.867 230 HD22 LEU 35 1HD2 LEU 35 8.646 -0.289 8.341 231 HD23 LEU 35 2HD2 LEU 35 8.890 0.027 10.058 232 HA PRO 36 HA PRO 36 9.611 4.172 3.148 233 HB2 PRO 36 2HB PRO 36 12.011 3.345 2.113 234 HB3 PRO 36 1HB PRO 36 11.853 4.759 3.173 235 HG2 PRO 36 2HG PRO 36 12.864 2.046 3.786 236 HG3 PRO 36 1HG PRO 36 13.328 3.609 4.472 237 HD2 PRO 36 2HD PRO 36 11.661 1.737 5.680 238 HD3 PRO 36 1HD PRO 36 11.799 3.448 6.132 239 H GLY 37 H GLY 37 9.806 3.155 0.854 240 HA2 GLY 37 2HA GLY 37 10.076 0.895 -0.295 241 HA3 GLY 37 1HA GLY 37 9.062 0.252 1.000 242 H CYS 38 H CYS 38 7.079 2.135 1.209 243 HA CYS 38 HA CYS 38 5.433 1.566 -1.140 244 HB2 CYS 38 2HB CYS 38 4.903 1.870 1.448 245 HB3 CYS 38 1HB CYS 38 4.721 3.560 0.992 246 H SER 39 H SER 39 7.401 2.873 -2.334 247 HA SER 39 HA SER 39 6.287 5.595 -2.866 248 HB2 SER 39 2HB SER 39 9.092 5.662 -3.272 249 HB3 SER 39 1HB SER 39 8.173 6.497 -2.028 250 HG SER 39 HG SER 39 8.845 5.085 -0.605 251 H THR 40 H THR 40 5.352 4.963 -4.858 252 HA THR 40 HA THR 40 6.746 3.337 -6.829 253 HB THR 40 HB THR 40 4.771 4.429 -8.231 254 HG1 THR 40 HG1 THR 40 4.022 6.012 -7.007 255 HG21 THR 40 3HG2 THR 40 5.055 2.164 -6.675 256 HG22 THR 40 1HG2 THR 40 3.700 2.503 -7.751 257 HG23 THR 40 2HG2 THR 40 3.584 2.897 -6.036 258 H SER 41 H SER 41 8.286 4.051 -8.258 259 HA SER 41 HA SER 41 8.996 6.897 -8.379 260 HB2 SER 41 2HB SER 41 10.138 4.309 -9.021 261 HB3 SER 41 1HB SER 41 10.360 5.422 -10.371 262 HG SER 41 HG SER 41 11.752 5.332 -8.168 263 H SER 42 H SER 42 7.125 4.646 -10.310 264 HA SER 42 HA SER 42 7.156 6.111 -12.800 265 HB2 SER 42 2HB SER 42 6.538 3.741 -12.603 266 HB3 SER 42 1HB SER 42 5.177 4.159 -11.565 267 HG SER 42 HG SER 42 4.075 4.541 -13.299 268 H PHE 43 H PHE 43 5.742 7.734 -13.511 269 HA PHE 43 HA PHE 43 3.797 8.804 -11.487 270 HB2 PHE 43 2HB PHE 43 4.329 11.024 -12.644 271 HB3 PHE 43 1HB PHE 43 5.637 10.322 -11.695 272 HD1 PHE 43 HD1 PHE 43 4.315 10.695 -15.161 273 HD2 PHE 43 HD2 PHE 43 7.697 9.696 -12.709 274 HE1 PHE 43 HE1 PHE 43 5.764 10.664 -17.177 275 HE2 PHE 43 HE2 PHE 43 9.150 9.659 -14.719 276 HZ PHE 43 HZ PHE 43 8.184 10.140 -16.959 277 H PHE 44 H PHE 44 3.901 7.181 -14.376 278 HA PHE 44 HA PHE 44 1.192 8.104 -15.126 279 HB2 PHE 44 2HB PHE 44 3.442 9.258 -16.273 280 HB3 PHE 44 1HB PHE 44 3.044 7.980 -17.418 281 HD1 PHE 44 HD1 PHE 44 -0.031 8.105 -16.599 282 HD2 PHE 44 HD2 PHE 44 2.855 10.998 -17.921 283 HE1 PHE 44 HE1 PHE 44 -1.857 9.501 -17.531 284 HE2 PHE 44 HE2 PHE 44 1.030 12.395 -18.851 285 HZ PHE 44 HZ PHE 44 -1.328 11.650 -18.652 286 H LYS 45 H LYS 45 2.248 5.585 -14.102 287 HA LYS 45 HA LYS 45 1.232 3.751 -16.161 288 HB2 LYS 45 2HB LYS 45 3.447 3.979 -16.997 289 HB3 LYS 45 1HB LYS 45 4.151 3.948 -15.384 290 HG2 LYS 45 2HG LYS 45 3.054 1.528 -15.298 291 HG3 LYS 45 1HG LYS 45 3.111 1.679 -17.054 292 HD2 LYS 45 2HD LYS 45 5.151 0.611 -16.299 293 HD3 LYS 45 1HD LYS 45 5.542 2.230 -16.883 294 HE2 LYS 45 2HE LYS 45 6.074 3.012 -14.772 295 HE3 LYS 45 1HE LYS 45 4.875 1.972 -13.974 296 HZ1 LYS 45 3HZ LYS 45 7.092 1.136 -13.550 297 HZ2 LYS 45 1HZ LYS 45 7.431 1.071 -15.208 298 HZ3 LYS 45 2HZ LYS 45 6.258 0.042 -14.539 299 H ILE 46 H ILE 46 0.850 1.629 -15.281 300 HA ILE 46 HA ILE 46 0.416 1.573 -12.380 301 HB ILE 46 HB ILE 46 -0.028 -0.449 -14.603 302 HG12 ILE 46 2HG1 ILE 46 -1.969 1.466 -13.267 303 HG13 ILE 46 1HG1 ILE 46 -1.273 1.701 -14.870 304 HG21 ILE 46 1HG2 ILE 46 -0.599 -1.890 -12.968 305 HG22 ILE 46 2HG2 ILE 46 -1.869 -0.771 -12.470 306 HG23 ILE 46 3HG2 ILE 46 -0.266 -0.667 -11.744 307 HD11 ILE 46 3HD1 ILE 46 -2.236 -0.577 -15.483 308 HD12 ILE 46 1HD1 ILE 46 -3.417 0.702 -15.217 309 HD13 ILE 46 2HD1 ILE 46 -3.130 -0.506 -13.964 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -18.776 5.029 -2.890 2 H2 GLY 1 2H GLY 1 -18.647 4.844 -1.207 3 H3 GLY 1 3H GLY 1 -17.522 4.096 -2.235 4 HA2 GLY 1 2HA GLY 1 -17.821 7.016 -2.333 5 HA3 GLY 1 1HA GLY 1 -16.899 6.289 -1.017 6 HA HYP 2 HA HYP 2 -13.491 6.371 -3.821 7 HB2 HYP 2 1HB HYP 2 -11.783 4.777 -2.385 8 HB3 HYP 2 2HB HYP 2 -12.143 6.455 -1.938 9 HG HYP 2 HG HYP 2 -13.298 3.923 -0.873 10 HD22 HYP 2 1HD HYP 2 -14.721 6.501 -0.437 11 HD23 HYP 2 2HD HYP 2 -15.358 4.843 -0.499 12 HD1 HYP 2 HOD HYP 2 -12.739 4.814 1.040 13 H SER 3 H SER 3 -12.687 3.175 -2.641 14 HA SER 3 HA SER 3 -14.109 1.734 -4.771 15 HB2 SER 3 2HB SER 3 -11.680 0.994 -5.573 16 HB3 SER 3 1HB SER 3 -12.419 2.463 -6.198 17 HG SER 3 HG SER 3 -10.876 3.548 -5.281 18 H PHE 4 H PHE 4 -13.152 -0.658 -4.770 19 HA PHE 4 HA PHE 4 -13.243 -1.628 -2.021 20 HB2 PHE 4 2HB PHE 4 -14.085 -2.656 -4.283 21 HB3 PHE 4 1HB PHE 4 -12.426 -3.234 -4.442 22 HD1 PHE 4 HD2 PHE 4 -15.526 -3.440 -2.446 23 HD2 PHE 4 HD1 PHE 4 -11.523 -4.922 -2.944 24 HE1 PHE 4 HE2 PHE 4 -16.031 -5.315 -0.894 25 HE2 PHE 4 HE1 PHE 4 -12.021 -6.798 -1.393 26 HZ PHE 4 HZ PHE 4 -14.278 -6.996 -0.366 27 H CYS 5 H CYS 5 -11.436 -1.499 -0.718 28 HA CYS 5 HA CYS 5 -8.768 -2.067 -1.972 29 HB2 CYS 5 2HB CYS 5 -7.850 -0.331 -0.551 30 HB3 CYS 5 1HB CYS 5 -9.246 0.338 -1.393 31 H LYS 6 H LYS 6 -7.169 -2.937 -0.426 32 HA LYS 6 HA LYS 6 -8.340 -4.979 1.328 33 HB2 LYS 6 2HB LYS 6 -6.258 -4.944 -0.343 34 HB3 LYS 6 1HB LYS 6 -5.410 -4.383 1.093 35 HG2 LYS 6 2HG LYS 6 -5.153 -6.643 1.415 36 HG3 LYS 6 1HG LYS 6 -6.724 -6.450 2.193 37 HD2 LYS 6 2HD LYS 6 -7.801 -7.615 0.575 38 HD3 LYS 6 1HD LYS 6 -6.897 -6.828 -0.719 39 HE2 LYS 6 2HE LYS 6 -5.271 -8.667 0.935 40 HE3 LYS 6 1HE LYS 6 -6.554 -9.460 0.001 41 HZ1 LYS 6 3HZ LYS 6 -4.469 -9.135 -1.276 42 HZ2 LYS 6 1HZ LYS 6 -4.655 -7.450 -1.124 43 HZ3 LYS 6 2HZ LYS 6 -5.806 -8.368 -1.985 44 H ALA 7 H ALA 7 -7.385 -5.229 3.574 45 HA ALA 7 HA ALA 7 -7.323 -2.578 4.947 46 HB1 ALA 7 3HB ALA 7 -8.110 -3.804 6.857 47 HB2 ALA 7 1HB ALA 7 -7.653 -5.346 6.134 48 HB3 ALA 7 2HB ALA 7 -9.003 -4.427 5.469 49 H ASP 8 H ASP 8 -5.988 -2.715 7.085 50 HA ASP 8 HA ASP 8 -3.207 -2.892 6.462 51 HB2 ASP 8 2HB ASP 8 -4.911 -2.606 8.912 52 HB3 ASP 8 1HB ASP 8 -3.179 -2.861 9.108 53 H GLU 9 H GLU 9 -1.694 -4.261 7.956 54 HA GLU 9 HA GLU 9 -0.910 -6.349 8.721 55 HB2 GLU 9 2HB GLU 9 -3.388 -6.211 9.675 56 HB3 GLU 9 1HB GLU 9 -3.671 -7.504 8.510 57 HG2 GLU 9 2HG GLU 9 -2.549 -9.020 9.784 58 HG3 GLU 9 1HG GLU 9 -1.204 -7.908 10.041 59 H LYS 10 H LYS 10 -3.532 -6.917 6.376 60 HA LYS 10 HA LYS 10 -1.994 -9.046 5.042 61 HB2 LYS 10 2HB LYS 10 -4.090 -8.698 3.394 62 HB3 LYS 10 1HB LYS 10 -4.239 -9.578 4.910 63 HG2 LYS 10 2HG LYS 10 -5.071 -7.502 6.011 64 HG3 LYS 10 1HG LYS 10 -4.927 -6.646 4.477 65 HD2 LYS 10 2HD LYS 10 -7.231 -7.331 4.734 66 HD3 LYS 10 1HD LYS 10 -6.507 -8.331 3.476 67 HE2 LYS 10 2HE LYS 10 -7.908 -9.631 5.158 68 HE3 LYS 10 1HE LYS 10 -6.231 -10.194 5.036 69 HZ1 LYS 10 3HZ LYS 10 -6.910 -8.051 6.948 70 HZ2 LYS 10 1HZ LYS 10 -5.640 -9.170 7.001 71 HZ3 LYS 10 2HZ LYS 10 -7.221 -9.663 7.363 72 HA HYP 11 HA HYP 11 -0.072 -5.744 2.663 73 HB2 HYP 11 1HB HYP 11 1.968 -7.271 1.695 74 HB3 HYP 11 2HB HYP 11 1.965 -6.592 3.329 75 HG HYP 11 HG HYP 11 2.191 -8.739 3.917 76 HD22 HYP 11 1HD HYP 11 0.276 -8.525 5.050 77 HD23 HYP 11 2HD HYP 11 -0.399 -9.644 3.851 78 HD1 HYP 11 HOD HYP 11 2.302 -9.634 1.807 79 H CYS 12 H CYS 12 1.108 -6.127 0.232 80 HA CYS 12 HA CYS 12 -0.739 -7.805 -1.412 81 HB2 CYS 12 2HB CYS 12 -1.725 -5.993 -2.508 82 HB3 CYS 12 1HB CYS 12 -1.506 -5.323 -0.896 83 H GLU 13 H GLU 13 -0.117 -7.173 -3.905 84 HA GLU 13 HA GLU 13 2.682 -7.994 -4.224 85 HB2 GLU 13 2HB GLU 13 0.174 -7.919 -5.698 86 HB3 GLU 13 1HB GLU 13 1.490 -7.319 -6.702 87 HG2 GLU 13 2HG GLU 13 2.793 -9.394 -6.075 88 HG3 GLU 13 1HG GLU 13 1.325 -10.006 -5.306 89 H TYR 14 H TYR 14 0.710 -5.128 -4.979 90 HA TYR 14 HA TYR 14 3.182 -3.661 -5.792 91 HB2 TYR 14 2HB TYR 14 0.275 -2.949 -6.310 92 HB3 TYR 14 1HB TYR 14 1.696 -2.371 -7.186 93 HD1 TYR 14 HD1 TYR 14 3.245 -4.330 -8.173 94 HD2 TYR 14 HD2 TYR 14 -0.944 -4.704 -7.245 95 HE1 TYR 14 HE1 TYR 14 3.091 -6.307 -9.666 96 HE2 TYR 14 HE2 TYR 14 -1.094 -6.688 -8.748 97 HH TYR 14 HH TYR 14 1.403 -8.451 -9.675 98 H HIS 15 H HIS 15 0.953 -1.304 -5.341 99 HA HIS 15 HA HIS 15 1.464 -1.046 -2.403 100 HB2 HIS 15 2HB HIS 15 2.561 0.453 -4.649 101 HB3 HIS 15 1HB HIS 15 1.742 1.509 -3.506 102 HD1 HIS 15 HD1 HIS 15 2.510 -0.399 -0.979 103 HD2 HIS 15 HD2 HIS 15 5.140 1.230 -3.776 104 HE1 HIS 15 HE1 HIS 15 4.755 -0.188 0.178 105 H ALA 16 H ALA 16 -0.903 -0.919 -4.831 106 HA ALA 16 HA ALA 16 -2.503 1.118 -3.308 107 HB1 ALA 16 3HB ALA 16 -1.986 1.646 -5.651 108 HB2 ALA 16 1HB ALA 16 -3.715 1.358 -5.459 109 HB3 ALA 16 2HB ALA 16 -2.688 0.112 -6.167 110 H ASP 17 H ASP 17 -2.190 -2.099 -3.221 111 HA ASP 17 HA ASP 17 -4.845 -3.104 -3.768 112 HB2 ASP 17 2HB ASP 17 -2.766 -4.450 -3.655 113 HB3 ASP 17 1HB ASP 17 -2.636 -4.081 -1.937 114 H CYS 18 H CYS 18 -3.215 -1.915 -0.836 115 HA CYS 18 HA CYS 18 -5.689 -2.265 0.793 116 HB2 CYS 18 2HB CYS 18 -2.797 -1.614 1.253 117 HB3 CYS 18 1HB CYS 18 -3.958 -1.109 2.475 118 H CYS 19 H CYS 19 -6.361 -0.304 2.137 119 HA CYS 19 HA CYS 19 -6.696 2.043 0.408 120 HB2 CYS 19 2HB CYS 19 -7.747 0.949 2.929 121 HB3 CYS 19 1HB CYS 19 -7.614 2.708 2.934 122 H ASN 20 H ASN 20 -3.898 1.327 1.423 123 HA ASN 20 HA ASN 20 -3.057 4.022 2.153 124 HB2 ASN 20 2HB ASN 20 -1.931 2.715 4.284 125 HB3 ASN 20 1HB ASN 20 -3.461 3.585 4.381 126 HD21 ASN 20 1HD2 ASN 20 -5.292 2.370 4.931 127 HD22 ASN 20 2HD2 ASN 20 -5.341 0.676 4.962 128 H CYS 21 H CYS 21 -1.117 1.370 3.337 129 HA CYS 21 HA CYS 21 0.434 1.303 0.764 130 HB2 CYS 21 2HB CYS 21 1.452 1.622 3.611 131 HB3 CYS 21 1HB CYS 21 2.490 1.395 2.206 132 H CYS 22 H CYS 22 0.319 -0.859 0.135 133 HA CYS 22 HA CYS 22 0.256 -2.960 2.261 134 HB2 CYS 22 2HB CYS 22 -0.500 -4.387 0.321 135 HB3 CYS 22 1HB CYS 22 -1.562 -3.031 0.663 136 H LEU 23 H LEU 23 2.647 -2.685 2.636 137 HA LEU 23 HA LEU 23 4.507 -3.297 0.462 138 HB2 LEU 23 2HB LEU 23 4.612 -2.937 3.453 139 HB3 LEU 23 1HB LEU 23 6.026 -3.551 2.599 140 HG LEU 23 HG LEU 23 4.622 -1.060 1.653 141 HD11 LEU 23 1HD1 LEU 23 5.158 -0.653 4.007 142 HD12 LEU 23 2HD1 LEU 23 6.287 0.233 2.983 143 HD13 LEU 23 3HD1 LEU 23 6.795 -1.265 3.760 144 HD21 LEU 23 3HD2 LEU 23 6.885 -0.582 0.755 145 HD22 LEU 23 1HD2 LEU 23 6.279 -2.130 0.164 146 HD23 LEU 23 2HD2 LEU 23 7.475 -2.085 1.459 147 H SER 24 H SER 24 5.707 -5.262 0.216 148 HA SER 24 HA SER 24 4.434 -7.710 0.330 149 HB2 SER 24 2HB SER 24 7.305 -7.864 0.978 150 HB3 SER 24 1HB SER 24 6.444 -8.442 -0.446 151 HG SER 24 HG SER 24 7.946 -6.676 -0.832 152 H GLY 25 H GLY 25 6.327 -6.234 2.942 153 HA2 GLY 25 2HA GLY 25 6.289 -8.470 4.718 154 HA3 GLY 25 1HA GLY 25 6.523 -6.788 5.214 155 H ILE 26 H ILE 26 4.143 -5.582 4.590 156 HA ILE 26 HA ILE 26 1.787 -7.097 5.350 157 HB ILE 26 HB ILE 26 3.640 -6.158 7.399 158 HG12 ILE 26 2HG1 ILE 26 0.989 -7.483 7.916 159 HG13 ILE 26 1HG1 ILE 26 2.274 -8.372 7.102 160 HG21 ILE 26 1HG2 ILE 26 1.988 -5.118 8.914 161 HG22 ILE 26 2HG2 ILE 26 0.786 -5.147 7.623 162 HG23 ILE 26 3HG2 ILE 26 2.228 -4.143 7.465 163 HD11 ILE 26 3HD1 ILE 26 3.554 -7.131 9.251 164 HD12 ILE 26 1HD1 ILE 26 3.097 -8.829 9.152 165 HD13 ILE 26 2HD1 ILE 26 2.011 -7.668 9.915 166 H CYS 27 H CYS 27 -0.118 -5.635 5.592 167 HA CYS 27 HA CYS 27 0.203 -3.169 3.989 168 HB2 CYS 27 2HB CYS 27 -1.945 -4.982 4.827 169 HB3 CYS 27 1HB CYS 27 -2.420 -3.284 4.906 170 H ALA 28 H ALA 28 0.375 -1.129 4.867 171 HA ALA 28 HA ALA 28 -0.387 -0.748 7.747 172 HB1 ALA 28 3HB ALA 28 1.858 -0.751 8.131 173 HB2 ALA 28 1HB ALA 28 1.882 0.806 7.307 174 HB3 ALA 28 2HB ALA 28 2.224 -0.672 6.405 175 HA HYP 29 HA HYP 29 -2.123 3.078 6.431 176 HB2 HYP 29 1HB HYP 29 -1.471 4.785 8.470 177 HB3 HYP 29 2HB HYP 29 -2.686 3.505 8.639 178 HG HYP 29 HG HYP 29 0.152 3.558 9.516 179 HD22 HYP 29 1HD HYP 29 -1.147 0.909 9.203 180 HD23 HYP 29 2HD HYP 29 0.557 1.374 9.012 181 HD1 HYP 29 HOD HYP 29 -0.800 2.530 11.327 182 H SER 30 H SER 30 -1.579 5.412 5.906 183 HA SER 30 HA SER 30 1.189 5.580 4.847 184 HB2 SER 30 2HB SER 30 -0.456 7.829 4.177 185 HB3 SER 30 1HB SER 30 0.104 6.538 3.123 186 HG SER 30 HG SER 30 -2.355 6.913 4.347 187 H THR 31 H THR 31 0.225 6.169 7.798 188 HA THR 31 HA THR 31 0.789 9.018 8.137 189 HB THR 31 HB THR 31 0.852 6.919 10.307 190 HG1 THR 31 HG1 THR 31 -1.316 6.752 10.226 191 HG21 THR 31 3HG2 THR 31 -0.145 8.686 11.628 192 HG22 THR 31 1HG2 THR 31 -0.367 9.694 10.198 193 HG23 THR 31 2HG2 THR 31 1.260 9.348 10.791 194 H ASN 32 H ASN 32 2.941 8.810 6.931 195 HA ASN 32 HA ASN 32 5.099 7.993 8.860 196 HB2 ASN 32 2HB ASN 32 4.702 7.511 5.917 197 HB3 ASN 32 1HB ASN 32 6.341 7.626 6.555 198 HD21 ASN 32 1HD2 ASN 32 3.280 5.811 6.944 199 HD22 ASN 32 2HD2 ASN 32 3.991 4.441 7.634 200 H TRP 33 H TRP 33 7.214 9.157 8.258 201 HA TRP 33 HA TRP 33 6.698 11.916 7.228 202 HB2 TRP 33 2HB TRP 33 8.446 12.472 9.199 203 HB3 TRP 33 1HB TRP 33 6.713 12.427 9.490 204 HD1 TRP 33 HD1 TRP 33 5.870 9.709 10.151 205 HE1 TRP 33 HE1 TRP 33 6.969 8.187 11.919 206 HE3 TRP 33 HE3 TRP 33 10.424 11.991 10.581 207 HZ2 TRP 33 HZ2 TRP 33 9.426 7.993 13.363 208 HZ3 TRP 33 HZ3 TRP 33 12.118 11.127 12.168 209 HH2 TRP 33 HH2 TRP 33 11.623 9.128 13.560 210 H ILE 34 H ILE 34 9.453 9.962 8.457 211 HA ILE 34 HA ILE 34 10.987 10.769 6.009 212 HB ILE 34 HB ILE 34 12.963 10.343 7.381 213 HG12 ILE 34 2HG1 ILE 34 11.080 9.594 9.636 214 HG13 ILE 34 1HG1 ILE 34 11.921 8.406 8.641 215 HG21 ILE 34 1HG2 ILE 34 12.232 12.552 7.712 216 HG22 ILE 34 2HG2 ILE 34 12.385 11.933 9.357 217 HG23 ILE 34 3HG2 ILE 34 10.797 12.044 8.600 218 HD11 ILE 34 3HD1 ILE 34 13.037 9.123 10.866 219 HD12 ILE 34 1HD1 ILE 34 13.434 10.617 10.017 220 HD13 ILE 34 2HD1 ILE 34 14.040 9.074 9.416 221 H LEU 35 H LEU 35 9.017 8.397 6.762 222 HA LEU 35 HA LEU 35 10.795 6.144 5.904 223 HB2 LEU 35 2HB LEU 35 8.092 6.061 7.286 224 HB3 LEU 35 1HB LEU 35 9.231 4.730 7.105 225 HG LEU 35 HG LEU 35 10.653 6.840 8.357 226 HD11 LEU 35 1HD1 LEU 35 8.956 7.998 9.356 227 HD12 LEU 35 2HD1 LEU 35 8.921 6.629 10.464 228 HD13 LEU 35 3HD1 LEU 35 7.793 6.693 9.108 229 HD21 LEU 35 3HD2 LEU 35 10.905 4.343 8.640 230 HD22 LEU 35 1HD2 LEU 35 9.429 4.356 9.606 231 HD23 LEU 35 2HD2 LEU 35 10.857 5.221 10.169 232 HA PRO 36 HA PRO 36 8.373 6.262 2.159 233 HB2 PRO 36 2HB PRO 36 9.207 3.886 1.092 234 HB3 PRO 36 1HB PRO 36 10.200 5.359 1.081 235 HG2 PRO 36 2HG PRO 36 10.341 2.996 2.890 236 HG3 PRO 36 1HG PRO 36 11.651 3.962 2.191 237 HD2 PRO 36 2HD PRO 36 10.779 4.217 4.766 238 HD3 PRO 36 1HD PRO 36 11.537 5.541 3.849 239 H GLY 37 H GLY 37 6.218 5.719 1.994 240 HA2 GLY 37 2HA GLY 37 5.286 3.280 3.440 241 HA3 GLY 37 1HA GLY 37 4.265 4.659 3.036 242 H CYS 38 H CYS 38 4.167 5.050 0.508 243 HA CYS 38 HA CYS 38 4.533 2.733 -1.210 244 HB2 CYS 38 2HB CYS 38 2.083 2.220 -1.406 245 HB3 CYS 38 1HB CYS 38 2.741 1.869 0.189 246 H SER 39 H SER 39 5.379 5.121 -1.952 247 HA SER 39 HA SER 39 3.262 6.659 -3.347 248 HB2 SER 39 2HB SER 39 6.031 7.018 -2.430 249 HB3 SER 39 1HB SER 39 5.758 7.690 -4.033 250 HG SER 39 HG SER 39 4.683 9.235 -3.122 251 H THR 40 H THR 40 3.331 4.113 -4.426 252 HA THR 40 HA THR 40 4.708 4.528 -7.060 253 HB THR 40 HB THR 40 4.149 1.817 -5.874 254 HG1 THR 40 HG1 THR 40 6.672 2.805 -5.438 255 HG21 THR 40 3HG2 THR 40 6.219 1.271 -7.169 256 HG22 THR 40 1HG2 THR 40 6.251 2.940 -7.746 257 HG23 THR 40 2HG2 THR 40 4.908 1.879 -8.176 258 H SER 41 H SER 41 3.474 3.972 -8.892 259 HA SER 41 HA SER 41 0.573 3.918 -8.543 260 HB2 SER 41 2HB SER 41 0.942 3.590 -11.182 261 HB3 SER 41 1HB SER 41 1.192 5.151 -10.402 262 HG SER 41 HG SER 41 3.126 4.954 -11.249 263 H SER 42 H SER 42 -0.480 2.215 -10.331 264 HA SER 42 HA SER 42 0.168 -0.451 -9.222 265 HB2 SER 42 2HB SER 42 -2.161 0.480 -9.394 266 HB3 SER 42 1HB SER 42 -2.005 0.463 -11.147 267 HG SER 42 HG SER 42 -1.957 -1.734 -9.344 268 H PHE 43 H PHE 43 -0.664 0.552 -12.574 269 HA PHE 43 HA PHE 43 1.656 -1.096 -13.537 270 HB2 PHE 43 2HB PHE 43 -0.814 -1.999 -13.671 271 HB3 PHE 43 1HB PHE 43 -0.962 -0.867 -15.016 272 HD1 PHE 43 HD2 PHE 43 1.504 -3.407 -13.736 273 HD2 PHE 43 HD1 PHE 43 -0.489 -1.691 -17.132 274 HE1 PHE 43 HE2 PHE 43 2.648 -5.027 -15.226 275 HE2 PHE 43 HE1 PHE 43 0.651 -3.310 -18.618 276 HZ PHE 43 HZ PHE 43 2.219 -4.980 -17.668 277 H PHE 44 H PHE 44 1.961 1.642 -13.179 278 HA PHE 44 HA PHE 44 1.663 2.762 -15.952 279 HB2 PHE 44 2HB PHE 44 1.845 4.172 -13.266 280 HB3 PHE 44 1HB PHE 44 1.587 4.956 -14.823 281 HD1 PHE 44 HD1 PHE 44 -0.289 2.806 -15.986 282 HD2 PHE 44 HD2 PHE 44 -0.203 4.844 -12.204 283 HE1 PHE 44 HE1 PHE 44 -2.733 2.465 -15.745 284 HE2 PHE 44 HE2 PHE 44 -2.649 4.498 -11.962 285 HZ PHE 44 HZ PHE 44 -3.914 3.309 -13.734 286 H LYS 45 H LYS 45 3.821 1.375 -16.062 287 HA LYS 45 HA LYS 45 6.172 2.719 -14.885 288 HB2 LYS 45 2HB LYS 45 5.672 0.154 -15.318 289 HB3 LYS 45 1HB LYS 45 6.236 0.518 -16.949 290 HG2 LYS 45 2HG LYS 45 8.297 0.074 -16.081 291 HG3 LYS 45 1HG LYS 45 8.189 1.718 -15.458 292 HD2 LYS 45 2HD LYS 45 6.849 -0.283 -13.757 293 HD3 LYS 45 1HD LYS 45 8.589 -0.527 -13.906 294 HE2 LYS 45 2HE LYS 45 7.845 2.297 -13.493 295 HE3 LYS 45 1HE LYS 45 7.408 1.238 -12.138 296 HZ1 LYS 45 3HZ LYS 45 10.075 1.236 -13.470 297 HZ2 LYS 45 1HZ LYS 45 9.629 0.349 -12.096 298 HZ3 LYS 45 2HZ LYS 45 9.737 2.039 -12.014 299 H ILE 46 H ILE 46 8.020 3.179 -16.518 300 HA ILE 46 HA ILE 46 6.971 4.957 -18.621 301 HB ILE 46 HB ILE 46 9.744 4.315 -17.558 302 HG12 ILE 46 2HG1 ILE 46 8.201 6.875 -17.159 303 HG13 ILE 46 1HG1 ILE 46 7.913 5.494 -16.104 304 HG21 ILE 46 1HG2 ILE 46 10.627 6.020 -18.881 305 HG22 ILE 46 2HG2 ILE 46 9.061 6.796 -19.111 306 HG23 ILE 46 3HG2 ILE 46 9.443 5.311 -19.982 307 HD11 ILE 46 3HD1 ILE 46 9.596 6.637 -14.953 308 HD12 ILE 46 1HD1 ILE 46 10.410 7.134 -16.436 309 HD13 ILE 46 2HD1 ILE 46 10.530 5.464 -15.882 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -12.659 -6.936 -7.792 2 H2 GLY 1 2H GLY 1 -11.625 -7.960 -6.923 3 H3 GLY 1 3H GLY 1 -11.549 -6.280 -6.691 4 HA2 GLY 1 2HA GLY 1 -13.772 -8.096 -5.929 5 HA3 GLY 1 1HA GLY 1 -12.691 -7.222 -4.839 6 HA HYP 2 HA HYP 2 -16.454 -4.601 -5.601 7 HB2 HYP 2 1HB HYP 2 -16.886 -4.015 -2.970 8 HB3 HYP 2 2HB HYP 2 -17.548 -5.464 -3.749 9 HG HYP 2 HG HYP 2 -15.110 -5.180 -2.054 10 HD22 HYP 2 1HD HYP 2 -15.481 -7.548 -3.815 11 HD23 HYP 2 2HD HYP 2 -13.987 -6.819 -3.193 12 HD1 HYP 2 HOD HYP 2 -15.997 -6.972 -1.052 13 H SER 3 H SER 3 -16.681 -2.217 -4.645 14 HA SER 3 HA SER 3 -14.136 -0.854 -5.027 15 HB2 SER 3 2HB SER 3 -16.857 0.093 -4.074 16 HB3 SER 3 1HB SER 3 -15.545 1.154 -4.586 17 HG SER 3 HG SER 3 -15.774 0.470 -6.635 18 H PHE 4 H PHE 4 -13.524 -2.472 -2.967 19 HA PHE 4 HA PHE 4 -13.393 -0.628 -0.610 20 HB2 PHE 4 2HB PHE 4 -14.137 -3.565 -0.723 21 HB3 PHE 4 1HB PHE 4 -13.673 -2.759 0.775 22 HD1 PHE 4 HD2 PHE 4 -14.919 -0.357 1.082 23 HD2 PHE 4 HD1 PHE 4 -16.412 -3.725 -1.132 24 HE1 PHE 4 HE2 PHE 4 -17.230 0.502 1.331 25 HE2 PHE 4 HE1 PHE 4 -18.721 -2.865 -0.887 26 HZ PHE 4 HZ PHE 4 -19.131 -0.747 0.338 27 H CYS 5 H CYS 5 -11.229 -0.196 -0.410 28 HA CYS 5 HA CYS 5 -9.124 -1.780 -1.526 29 HB2 CYS 5 2HB CYS 5 -7.760 -0.263 0.085 30 HB3 CYS 5 1HB CYS 5 -8.729 0.524 -1.155 31 H LYS 6 H LYS 6 -7.433 -2.958 -0.300 32 HA LYS 6 HA LYS 6 -8.517 -4.813 1.644 33 HB2 LYS 6 2HB LYS 6 -6.586 -4.981 -0.155 34 HB3 LYS 6 1HB LYS 6 -5.584 -4.356 1.150 35 HG2 LYS 6 2HG LYS 6 -5.390 -6.504 1.828 36 HG3 LYS 6 1HG LYS 6 -7.051 -6.346 2.402 37 HD2 LYS 6 2HD LYS 6 -7.873 -7.669 0.755 38 HD3 LYS 6 1HD LYS 6 -6.864 -6.906 -0.478 39 HE2 LYS 6 2HE LYS 6 -5.256 -8.485 1.390 40 HE3 LYS 6 1HE LYS 6 -6.489 -9.472 0.573 41 HZ1 LYS 6 3HZ LYS 6 -4.346 -9.151 -0.693 42 HZ2 LYS 6 1HZ LYS 6 -4.765 -7.511 -0.868 43 HZ3 LYS 6 2HZ LYS 6 -5.757 -8.726 -1.540 44 H ALA 7 H ALA 7 -7.492 -5.113 3.824 45 HA ALA 7 HA ALA 7 -7.253 -2.484 5.191 46 HB1 ALA 7 3HB ALA 7 -7.558 -3.920 7.210 47 HB2 ALA 7 1HB ALA 7 -7.532 -5.345 6.173 48 HB3 ALA 7 2HB ALA 7 -8.836 -4.167 6.019 49 H ASP 8 H ASP 8 -5.665 -2.680 7.191 50 HA ASP 8 HA ASP 8 -2.990 -2.887 6.112 51 HB2 ASP 8 2HB ASP 8 -4.056 -2.587 8.940 52 HB3 ASP 8 1HB ASP 8 -2.377 -2.326 8.471 53 H GLU 9 H GLU 9 -1.404 -4.183 7.862 54 HA GLU 9 HA GLU 9 -0.651 -6.291 8.631 55 HB2 GLU 9 2HB GLU 9 -3.436 -7.407 8.413 56 HB3 GLU 9 1HB GLU 9 -2.207 -7.717 9.632 57 HG2 GLU 9 2HG GLU 9 -2.571 -5.185 10.241 58 HG3 GLU 9 1HG GLU 9 -4.105 -5.410 9.396 59 H LYS 10 H LYS 10 -3.315 -6.815 6.324 60 HA LYS 10 HA LYS 10 -1.924 -9.042 5.004 61 HB2 LYS 10 2HB LYS 10 -4.023 -8.845 3.501 62 HB3 LYS 10 1HB LYS 10 -4.295 -9.194 5.203 63 HG2 LYS 10 2HG LYS 10 -4.216 -6.332 4.721 64 HG3 LYS 10 1HG LYS 10 -5.435 -7.117 3.722 65 HD2 LYS 10 2HD LYS 10 -5.263 -7.930 6.597 66 HD3 LYS 10 1HD LYS 10 -5.976 -6.361 6.231 67 HE2 LYS 10 2HE LYS 10 -7.902 -7.604 5.985 68 HE3 LYS 10 1HE LYS 10 -7.238 -7.930 4.372 69 HZ1 LYS 10 3HZ LYS 10 -6.149 -9.886 5.196 70 HZ2 LYS 10 1HZ LYS 10 -7.785 -9.979 5.620 71 HZ3 LYS 10 2HZ LYS 10 -6.629 -9.557 6.793 72 HA HYP 11 HA HYP 11 0.216 -5.936 2.485 73 HB2 HYP 11 1HB HYP 11 2.132 -7.645 1.571 74 HB3 HYP 11 2HB HYP 11 2.194 -6.897 3.176 75 HG HYP 11 HG HYP 11 2.298 -9.057 3.810 76 HD22 HYP 11 1HD HYP 11 0.487 -8.498 5.020 77 HD23 HYP 11 2HD HYP 11 -0.333 -9.698 4.005 78 HD1 HYP 11 HOD HYP 11 0.543 -9.792 1.667 79 H CYS 12 H CYS 12 1.209 -6.291 0.074 80 HA CYS 12 HA CYS 12 -0.560 -8.065 -1.548 81 HB2 CYS 12 2HB CYS 12 -1.640 -6.317 -2.625 82 HB3 CYS 12 1HB CYS 12 -1.405 -5.579 -1.044 83 H GLU 13 H GLU 13 0.089 -7.236 -4.068 84 HA GLU 13 HA GLU 13 2.936 -7.965 -4.317 85 HB2 GLU 13 2HB GLU 13 0.731 -7.315 -6.310 86 HB3 GLU 13 1HB GLU 13 2.326 -7.920 -6.750 87 HG2 GLU 13 2HG GLU 13 1.948 -10.014 -5.699 88 HG3 GLU 13 1HG GLU 13 0.556 -9.407 -4.803 89 H TYR 14 H TYR 14 0.885 -5.233 -5.408 90 HA TYR 14 HA TYR 14 3.309 -3.597 -5.939 91 HB2 TYR 14 2HB TYR 14 0.347 -3.026 -6.348 92 HB3 TYR 14 1HB TYR 14 1.689 -2.109 -7.030 93 HD1 TYR 14 HD2 TYR 14 3.411 -3.532 -8.457 94 HD2 TYR 14 HD1 TYR 14 -0.623 -4.705 -7.587 95 HE1 TYR 14 HE2 TYR 14 3.456 -5.077 -10.387 96 HE2 TYR 14 HE1 TYR 14 -0.580 -6.262 -9.534 97 HH TYR 14 HH TYR 14 1.203 -7.501 -10.875 98 H HIS 15 H HIS 15 1.080 -1.333 -5.246 99 HA HIS 15 HA HIS 15 1.487 -1.373 -2.295 100 HB2 HIS 15 2HB HIS 15 2.875 0.231 -4.266 101 HB3 HIS 15 1HB HIS 15 1.951 1.274 -3.184 102 HD1 HIS 15 HD1 HIS 15 4.286 2.040 -2.157 103 HD2 HIS 15 HD2 HIS 15 3.310 -1.963 -1.523 104 HE1 HIS 15 HE1 HIS 15 5.811 1.214 -0.316 105 H ALA 16 H ALA 16 -0.819 -1.275 -4.593 106 HA ALA 16 HA ALA 16 -2.396 0.882 -3.209 107 HB1 ALA 16 3HB ALA 16 -1.690 0.637 -5.862 108 HB2 ALA 16 1HB ALA 16 -3.068 1.570 -5.275 109 HB3 ALA 16 2HB ALA 16 -3.299 -0.083 -5.841 110 H ASP 17 H ASP 17 -2.108 -2.358 -3.080 111 HA ASP 17 HA ASP 17 -4.758 -3.368 -3.567 112 HB2 ASP 17 2HB ASP 17 -2.590 -4.629 -3.341 113 HB3 ASP 17 1HB ASP 17 -2.639 -4.300 -1.610 114 H CYS 18 H CYS 18 -3.172 -2.092 -0.630 115 HA CYS 18 HA CYS 18 -5.684 -2.427 0.931 116 HB2 CYS 18 2HB CYS 18 -2.840 -1.617 1.558 117 HB3 CYS 18 1HB CYS 18 -4.125 -1.533 2.762 118 H CYS 19 H CYS 19 -6.341 -0.511 2.323 119 HA CYS 19 HA CYS 19 -6.998 1.774 0.742 120 HB2 CYS 19 2HB CYS 19 -6.832 1.541 3.756 121 HB3 CYS 19 1HB CYS 19 -7.856 2.648 2.844 122 H ASN 20 H ASN 20 -3.936 1.037 2.032 123 HA ASN 20 HA ASN 20 -3.115 3.881 1.743 124 HB2 ASN 20 2HB ASN 20 -2.231 2.129 4.054 125 HB3 ASN 20 1HB ASN 20 -2.017 3.868 3.881 126 HD21 ASN 20 1HD2 ASN 20 -4.253 1.362 4.880 127 HD22 ASN 20 2HD2 ASN 20 -5.510 2.397 5.355 128 H CYS 21 H CYS 21 -1.269 1.070 2.975 129 HA CYS 21 HA CYS 21 0.218 0.945 0.386 130 HB2 CYS 21 2HB CYS 21 1.247 1.579 3.152 131 HB3 CYS 21 1HB CYS 21 2.309 0.878 1.932 132 H CYS 22 H CYS 22 0.973 -1.165 -0.076 133 HA CYS 22 HA CYS 22 0.542 -3.228 2.061 134 HB2 CYS 22 2HB CYS 22 -0.229 -4.695 0.126 135 HB3 CYS 22 1HB CYS 22 -1.304 -3.366 0.531 136 H LEU 23 H LEU 23 2.932 -2.975 2.389 137 HA LEU 23 HA LEU 23 4.751 -3.638 0.185 138 HB2 LEU 23 2HB LEU 23 5.303 -3.691 3.170 139 HB3 LEU 23 1HB LEU 23 6.452 -3.398 1.867 140 HG LEU 23 HG LEU 23 4.451 -1.454 1.515 141 HD11 LEU 23 1HD1 LEU 23 5.376 -1.187 4.340 142 HD12 LEU 23 2HD1 LEU 23 4.038 -2.290 4.021 143 HD13 LEU 23 3HD1 LEU 23 3.900 -0.588 3.581 144 HD21 LEU 23 3HD2 LEU 23 7.184 -1.310 2.826 145 HD22 LEU 23 1HD2 LEU 23 6.274 0.087 2.252 146 HD23 LEU 23 2HD2 LEU 23 6.840 -1.128 1.105 147 H SER 24 H SER 24 6.033 -5.587 0.096 148 HA SER 24 HA SER 24 4.717 -8.039 0.273 149 HB2 SER 24 2HB SER 24 7.520 -8.397 0.862 150 HB3 SER 24 1HB SER 24 6.676 -8.675 -0.657 151 HG SER 24 HG SER 24 7.616 -6.933 -1.370 152 H GLY 25 H GLY 25 6.544 -6.411 2.818 153 HA2 GLY 25 2HA GLY 25 6.557 -8.591 4.674 154 HA3 GLY 25 1HA GLY 25 6.755 -6.891 5.105 155 H ILE 26 H ILE 26 4.400 -5.724 4.468 156 HA ILE 26 HA ILE 26 2.027 -7.238 5.168 157 HB ILE 26 HB ILE 26 3.796 -6.159 7.268 158 HG12 ILE 26 2HG1 ILE 26 1.553 -8.159 7.052 159 HG13 ILE 26 1HG1 ILE 26 3.238 -8.432 7.469 160 HG21 ILE 26 1HG2 ILE 26 2.115 -4.341 7.280 161 HG22 ILE 26 2HG2 ILE 26 2.007 -5.327 8.737 162 HG23 ILE 26 3HG2 ILE 26 0.829 -5.539 7.444 163 HD11 ILE 26 3HD1 ILE 26 2.205 -8.614 9.555 164 HD12 ILE 26 1HD1 ILE 26 1.022 -7.358 9.190 165 HD13 ILE 26 2HD1 ILE 26 2.690 -6.919 9.547 166 H CYS 27 H CYS 27 0.125 -5.716 5.440 167 HA CYS 27 HA CYS 27 0.486 -3.284 3.795 168 HB2 CYS 27 2HB CYS 27 -1.696 -5.022 4.708 169 HB3 CYS 27 1HB CYS 27 -2.118 -3.310 4.752 170 H ALA 28 H ALA 28 0.498 -1.180 4.591 171 HA ALA 28 HA ALA 28 0.153 -0.840 7.555 172 HB1 ALA 28 3HB ALA 28 1.964 1.062 6.304 173 HB2 ALA 28 1HB ALA 28 2.457 -0.596 5.951 174 HB3 ALA 28 2HB ALA 28 2.276 -0.067 7.622 175 HA HYP 29 HA HYP 29 -2.641 2.462 6.753 176 HB2 HYP 29 1HB HYP 29 -1.933 4.269 8.686 177 HB3 HYP 29 2HB HYP 29 -2.790 2.757 9.047 178 HG HYP 29 HG HYP 29 0.130 3.353 9.196 179 HD22 HYP 29 1HD HYP 29 -0.924 0.557 9.188 180 HD23 HYP 29 2HD HYP 29 0.693 1.168 8.766 181 HD1 HYP 29 HOD HYP 29 -0.146 2.782 11.255 182 H SER 30 H SER 30 -2.711 4.834 6.141 183 HA SER 30 HA SER 30 -0.398 5.553 4.472 184 HB2 SER 30 2HB SER 30 -3.240 6.201 4.742 185 HB3 SER 30 1HB SER 30 -2.251 7.614 4.375 186 HG SER 30 HG SER 30 -3.063 6.111 2.588 187 H THR 31 H THR 31 -1.194 6.113 7.731 188 HA THR 31 HA THR 31 -0.218 8.867 7.890 189 HB THR 31 HB THR 31 -0.527 6.769 10.062 190 HG1 THR 31 HG1 THR 31 -2.612 7.098 9.975 191 HG21 THR 31 3HG2 THR 31 -0.896 9.761 10.300 192 HG22 THR 31 1HG2 THR 31 0.694 9.013 10.481 193 HG23 THR 31 2HG2 THR 31 -0.619 8.583 11.582 194 H ASN 32 H ASN 32 1.790 8.247 6.606 195 HA ASN 32 HA ASN 32 3.977 7.518 8.497 196 HB2 ASN 32 2HB ASN 32 2.905 5.974 6.261 197 HB3 ASN 32 1HB ASN 32 4.624 6.318 6.041 198 HD21 ASN 32 1HD2 ASN 32 2.537 4.106 7.490 199 HD22 ASN 32 2HD2 ASN 32 3.591 3.491 8.667 200 H TRP 33 H TRP 33 6.155 7.973 7.310 201 HA TRP 33 HA TRP 33 5.833 10.305 5.468 202 HB2 TRP 33 2HB TRP 33 7.960 11.121 6.880 203 HB3 TRP 33 1HB TRP 33 6.318 11.493 7.375 204 HD1 TRP 33 HD1 TRP 33 5.240 9.503 9.125 205 HE1 TRP 33 HE1 TRP 33 6.428 8.446 11.157 206 HE3 TRP 33 HE3 TRP 33 10.099 10.530 7.965 207 HZ2 TRP 33 HZ2 TRP 33 9.076 8.080 12.160 208 HZ3 TRP 33 HZ3 TRP 33 11.928 9.820 9.474 209 HH2 TRP 33 HH2 TRP 33 11.427 8.600 11.571 210 H ILE 34 H ILE 34 8.464 8.334 6.936 211 HA ILE 34 HA ILE 34 9.578 7.979 4.163 212 HB ILE 34 HB ILE 34 11.142 8.286 6.744 213 HG12 ILE 34 2HG1 ILE 34 9.748 10.323 6.101 214 HG13 ILE 34 1HG1 ILE 34 11.486 10.600 6.195 215 HG21 ILE 34 1HG2 ILE 34 12.402 7.168 5.011 216 HG22 ILE 34 2HG2 ILE 34 12.984 8.830 5.109 217 HG23 ILE 34 3HG2 ILE 34 11.890 8.352 3.811 218 HD11 ILE 34 3HD1 ILE 34 11.692 10.390 3.770 219 HD12 ILE 34 1HD1 ILE 34 10.470 11.603 4.147 220 HD13 ILE 34 2HD1 ILE 34 9.980 9.990 3.631 221 H LEU 35 H LEU 35 8.317 6.341 6.831 222 HA LEU 35 HA LEU 35 10.085 4.083 7.038 223 HB2 LEU 35 2HB LEU 35 7.312 4.821 7.821 224 HB3 LEU 35 1HB LEU 35 7.667 3.095 7.774 225 HG LEU 35 HG LEU 35 9.707 3.581 9.204 226 HD11 LEU 35 1HD1 LEU 35 9.608 5.754 10.468 227 HD12 LEU 35 2HD1 LEU 35 8.334 6.285 9.372 228 HD13 LEU 35 3HD1 LEU 35 9.953 5.964 8.752 229 HD21 LEU 35 3HD2 LEU 35 7.853 2.644 10.344 230 HD22 LEU 35 1HD2 LEU 35 6.887 4.110 10.155 231 HD23 LEU 35 2HD2 LEU 35 8.247 4.086 11.279 232 HA PRO 36 HA PRO 36 7.478 1.660 3.976 233 HB2 PRO 36 2HB PRO 36 5.057 2.582 3.096 234 HB3 PRO 36 1HB PRO 36 5.246 1.666 4.604 235 HG2 PRO 36 2HG PRO 36 4.859 4.572 4.196 236 HG3 PRO 36 1HG PRO 36 4.307 3.530 5.514 237 HD2 PRO 36 2HD PRO 36 6.478 5.248 5.631 238 HD3 PRO 36 1HD PRO 36 6.189 3.879 6.722 239 H GLY 37 H GLY 37 8.011 1.646 1.767 240 HA2 GLY 37 2HA GLY 37 8.883 4.128 0.531 241 HA3 GLY 37 1HA GLY 37 8.860 2.545 -0.245 242 H CYS 38 H CYS 38 6.550 5.012 0.933 243 HA CYS 38 HA CYS 38 4.809 4.408 -1.445 244 HB2 CYS 38 2HB CYS 38 4.229 5.347 1.383 245 HB3 CYS 38 1HB CYS 38 3.015 5.371 0.105 246 H SER 39 H SER 39 6.296 6.010 -2.578 247 HA SER 39 HA SER 39 6.207 8.816 -1.731 248 HB2 SER 39 2HB SER 39 7.243 8.842 -4.231 249 HB3 SER 39 1HB SER 39 8.181 8.389 -2.813 250 HG SER 39 HG SER 39 8.414 6.782 -4.342 251 H THR 40 H THR 40 3.733 7.054 -2.932 252 HA THR 40 HA THR 40 2.889 8.996 -5.021 253 HB THR 40 HB THR 40 2.791 6.448 -5.235 254 HG1 THR 40 HG1 THR 40 1.561 7.830 -6.554 255 HG21 THR 40 3HG2 THR 40 0.405 6.780 -3.394 256 HG22 THR 40 1HG2 THR 40 1.939 6.054 -2.912 257 HG23 THR 40 2HG2 THR 40 0.951 5.286 -4.153 258 H SER 41 H SER 41 2.103 8.012 -1.708 259 HA SER 41 HA SER 41 -0.441 9.419 -1.558 260 HB2 SER 41 2HB SER 41 1.512 8.145 0.351 261 HB3 SER 41 1HB SER 41 0.170 9.098 0.980 262 HG SER 41 HG SER 41 -0.795 7.201 0.769 263 H SER 42 H SER 42 0.691 11.451 -2.625 264 HA SER 42 HA SER 42 2.376 13.087 -0.878 265 HB2 SER 42 2HB SER 42 0.776 13.903 -3.323 266 HB3 SER 42 1HB SER 42 2.249 14.649 -2.710 267 HG SER 42 HG SER 42 1.987 12.623 -4.430 268 H PHE 43 H PHE 43 0.514 12.672 0.882 269 HA PHE 43 HA PHE 43 -1.855 14.360 0.675 270 HB2 PHE 43 2HB PHE 43 -1.423 12.186 2.034 271 HB3 PHE 43 1HB PHE 43 -0.650 13.253 3.205 272 HD1 PHE 43 HD2 PHE 43 -3.829 12.780 1.285 273 HD2 PHE 43 HD1 PHE 43 -1.948 14.443 4.772 274 HE1 PHE 43 HE2 PHE 43 -6.055 13.386 2.199 275 HE2 PHE 43 HE1 PHE 43 -4.172 15.047 5.685 276 HZ PHE 43 HZ PHE 43 -6.226 14.518 4.400 277 H PHE 44 H PHE 44 1.214 14.571 2.447 278 HA PHE 44 HA PHE 44 0.656 17.482 2.928 279 HB2 PHE 44 2HB PHE 44 1.023 15.492 4.765 280 HB3 PHE 44 1HB PHE 44 2.683 16.049 4.557 281 HD1 PHE 44 HD2 PHE 44 2.855 18.764 4.386 282 HD2 PHE 44 HD1 PHE 44 -0.205 16.547 6.438 283 HE1 PHE 44 HE2 PHE 44 2.366 20.741 5.799 284 HE2 PHE 44 HE1 PHE 44 -0.690 18.525 7.851 285 HZ PHE 44 HZ PHE 44 0.594 20.625 7.531 286 H LYS 45 H LYS 45 2.104 18.874 1.984 287 HA LYS 45 HA LYS 45 4.506 17.723 0.642 288 HB2 LYS 45 2HB LYS 45 2.525 19.366 -0.243 289 HB3 LYS 45 1HB LYS 45 3.698 20.569 0.295 290 HG2 LYS 45 2HG LYS 45 5.366 19.776 -1.190 291 HG3 LYS 45 1HG LYS 45 4.514 18.254 -1.462 292 HD2 LYS 45 2HD LYS 45 3.040 20.739 -2.174 293 HD3 LYS 45 1HD LYS 45 4.405 20.314 -3.207 294 HE2 LYS 45 2HE LYS 45 3.009 17.891 -2.765 295 HE3 LYS 45 1HE LYS 45 1.771 19.112 -3.125 296 HZ1 LYS 45 3HZ LYS 45 2.619 18.273 -5.192 297 HZ2 LYS 45 1HZ LYS 45 4.222 18.542 -4.713 298 HZ3 LYS 45 2HZ LYS 45 3.188 19.860 -4.998 299 H ILE 46 H ILE 46 5.889 20.289 0.556 300 HA ILE 46 HA ILE 46 6.733 20.556 3.418 301 HB ILE 46 HB ILE 46 8.295 20.634 0.811 302 HG12 ILE 46 2HG1 ILE 46 7.648 18.369 1.584 303 HG13 ILE 46 1HG1 ILE 46 9.389 18.610 1.718 304 HG21 ILE 46 1HG2 ILE 46 9.279 20.959 3.667 305 HG22 ILE 46 2HG2 ILE 46 9.197 22.246 2.463 306 HG23 ILE 46 3HG2 ILE 46 10.298 20.887 2.230 307 HD11 ILE 46 3HD1 ILE 46 8.932 17.715 3.809 308 HD12 ILE 46 1HD1 ILE 46 7.324 18.435 3.876 309 HD13 ILE 46 2HD1 ILE 46 8.750 19.434 4.157 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -11.948 0.467 -9.811 2 H2 GLY 1 2H GLY 1 -11.653 -0.873 -10.808 3 H3 GLY 1 3H GLY 1 -10.390 -0.193 -9.903 4 HA2 GLY 1 2HA GLY 1 -11.815 -2.341 -9.149 5 HA3 GLY 1 1HA GLY 1 -10.938 -1.284 -8.042 6 HA HYP 2 HA HYP 2 -15.601 -1.135 -7.260 7 HB2 HYP 2 1HB HYP 2 -15.696 -2.617 -4.965 8 HB3 HYP 2 2HB HYP 2 -15.870 -3.336 -6.578 9 HG HYP 2 HG HYP 2 -13.493 -3.231 -4.793 10 HD22 HYP 2 1HD HYP 2 -13.023 -3.730 -7.678 11 HD23 HYP 2 2HD HYP 2 -11.997 -2.920 -6.475 12 HD1 HYP 2 HOD HYP 2 -13.260 -5.377 -5.767 13 H SER 3 H SER 3 -16.580 -0.200 -5.150 14 HA SER 3 HA SER 3 -14.840 1.900 -4.109 15 HB2 SER 3 2HB SER 3 -17.683 0.990 -3.770 16 HB3 SER 3 1HB SER 3 -17.020 2.156 -2.631 17 HG SER 3 HG SER 3 -17.886 2.550 -5.124 18 H PHE 4 H PHE 4 -13.391 -0.160 -3.354 19 HA PHE 4 HA PHE 4 -13.610 -0.223 -0.422 20 HB2 PHE 4 2HB PHE 4 -15.018 -2.118 -1.817 21 HB3 PHE 4 1HB PHE 4 -13.475 -2.943 -1.592 22 HD1 PHE 4 HD2 PHE 4 -15.561 -0.606 0.496 23 HD2 PHE 4 HD1 PHE 4 -13.492 -4.366 0.252 24 HE1 PHE 4 HE2 PHE 4 -16.161 -1.090 2.853 25 HE2 PHE 4 HE1 PHE 4 -14.094 -4.848 2.608 26 HZ PHE 4 HZ PHE 4 -15.427 -3.211 3.909 27 H CYS 5 H CYS 5 -11.739 -1.840 0.378 28 HA CYS 5 HA CYS 5 -9.468 -2.051 -1.499 29 HB2 CYS 5 2HB CYS 5 -8.102 -0.451 -0.288 30 HB3 CYS 5 1HB CYS 5 -9.623 0.348 -0.692 31 H LYS 6 H LYS 6 -7.476 -2.904 -0.214 32 HA LYS 6 HA LYS 6 -8.380 -5.054 1.556 33 HB2 LYS 6 2HB LYS 6 -6.470 -4.923 -0.301 34 HB3 LYS 6 1HB LYS 6 -5.503 -4.337 1.048 35 HG2 LYS 6 2HG LYS 6 -5.203 -6.716 0.988 36 HG3 LYS 6 1HG LYS 6 -6.268 -6.379 2.350 37 HD2 LYS 6 2HD LYS 6 -7.317 -8.191 1.219 38 HD3 LYS 6 1HD LYS 6 -8.217 -6.764 0.714 39 HE2 LYS 6 2HE LYS 6 -7.653 -8.277 -1.209 40 HE3 LYS 6 1HE LYS 6 -6.935 -6.664 -1.392 41 HZ1 LYS 6 3HZ LYS 6 -5.436 -8.740 0.062 42 HZ2 LYS 6 1HZ LYS 6 -4.848 -7.412 -0.834 43 HZ3 LYS 6 2HZ LYS 6 -5.458 -8.791 -1.636 44 H ALA 7 H ALA 7 -7.507 -5.292 3.764 45 HA ALA 7 HA ALA 7 -7.299 -2.676 5.156 46 HB1 ALA 7 3HB ALA 7 -8.670 -4.995 5.624 47 HB2 ALA 7 1HB ALA 7 -8.310 -3.794 6.863 48 HB3 ALA 7 2HB ALA 7 -7.271 -5.206 6.678 49 H ASP 8 H ASP 8 -5.811 -2.853 7.217 50 HA ASP 8 HA ASP 8 -3.079 -2.998 6.332 51 HB2 ASP 8 2HB ASP 8 -4.382 -2.864 9.068 52 HB3 ASP 8 1HB ASP 8 -2.659 -2.620 8.782 53 H GLU 9 H GLU 9 -1.483 -4.350 7.825 54 HA GLU 9 HA GLU 9 -0.689 -6.443 8.576 55 HB2 GLU 9 2HB GLU 9 -3.226 -6.276 9.548 56 HB3 GLU 9 1HB GLU 9 -3.381 -7.694 8.513 57 HG2 GLU 9 2HG GLU 9 -1.768 -8.909 9.705 58 HG3 GLU 9 1HG GLU 9 -1.042 -7.459 10.393 59 H LYS 10 H LYS 10 -3.426 -7.003 6.342 60 HA LYS 10 HA LYS 10 -2.005 -9.165 4.951 61 HB2 LYS 10 2HB LYS 10 -4.073 -8.819 3.350 62 HB3 LYS 10 1HB LYS 10 -4.338 -9.471 4.962 63 HG2 LYS 10 2HG LYS 10 -4.417 -6.536 4.881 64 HG3 LYS 10 1HG LYS 10 -5.647 -7.290 3.871 65 HD2 LYS 10 2HD LYS 10 -5.162 -8.121 6.744 66 HD3 LYS 10 1HD LYS 10 -6.326 -6.875 6.296 67 HE2 LYS 10 2HE LYS 10 -7.430 -8.562 4.761 68 HE3 LYS 10 1HE LYS 10 -6.359 -9.795 5.456 69 HZ1 LYS 10 3HZ LYS 10 -7.144 -9.140 7.674 70 HZ2 LYS 10 1HZ LYS 10 -8.412 -9.717 6.706 71 HZ3 LYS 10 2HZ LYS 10 -8.238 -8.048 6.968 72 HA HYP 11 HA HYP 11 0.072 -5.968 2.556 73 HB2 HYP 11 1HB HYP 11 2.064 -7.573 1.626 74 HB3 HYP 11 2HB HYP 11 2.052 -6.886 3.257 75 HG HYP 11 HG HYP 11 2.179 -9.030 3.892 76 HD22 HYP 11 1HD HYP 11 0.217 -8.865 4.927 77 HD23 HYP 11 2HD HYP 11 -0.443 -9.868 3.624 78 HD1 HYP 11 HOD HYP 11 0.735 -9.848 1.552 79 H CYS 12 H CYS 12 1.140 -6.181 0.168 80 HA CYS 12 HA CYS 12 -0.544 -7.922 -1.578 81 HB2 CYS 12 2HB CYS 12 -1.620 -6.143 -2.612 82 HB3 CYS 12 1HB CYS 12 -1.427 -5.457 -1.003 83 H GLU 13 H GLU 13 0.234 -7.425 -4.008 84 HA GLU 13 HA GLU 13 3.143 -7.814 -4.055 85 HB2 GLU 13 2HB GLU 13 1.287 -8.954 -5.458 86 HB3 GLU 13 1HB GLU 13 1.278 -7.470 -6.414 87 HG2 GLU 13 2HG GLU 13 2.893 -8.577 -7.603 88 HG3 GLU 13 1HG GLU 13 3.939 -7.934 -6.339 89 H TYR 14 H TYR 14 0.852 -5.323 -5.225 90 HA TYR 14 HA TYR 14 3.090 -3.588 -6.110 91 HB2 TYR 14 2HB TYR 14 0.081 -3.125 -6.097 92 HB3 TYR 14 1HB TYR 14 1.275 -2.208 -7.007 93 HD1 TYR 14 HD1 TYR 14 2.974 -4.023 -8.335 94 HD2 TYR 14 HD2 TYR 14 -1.199 -4.492 -7.435 95 HE1 TYR 14 HE1 TYR 14 2.746 -5.607 -10.227 96 HE2 TYR 14 HE2 TYR 14 -1.428 -6.083 -9.324 97 HH TYR 14 HH TYR 14 0.904 -7.663 -10.700 98 H HIS 15 H HIS 15 1.086 -1.294 -5.262 99 HA HIS 15 HA HIS 15 1.618 -1.310 -2.338 100 HB2 HIS 15 2HB HIS 15 3.167 0.032 -4.312 101 HB3 HIS 15 1HB HIS 15 2.263 1.270 -3.438 102 HD1 HIS 15 HD1 HIS 15 5.000 1.630 -2.705 103 HD2 HIS 15 HD2 HIS 15 2.869 -1.499 -0.962 104 HE1 HIS 15 HE1 HIS 15 6.183 1.070 -0.528 105 H ALA 16 H ALA 16 -0.810 -1.269 -4.319 106 HA ALA 16 HA ALA 16 -2.195 1.050 -2.995 107 HB1 ALA 16 3HB ALA 16 -3.196 1.611 -5.089 108 HB2 ALA 16 1HB ALA 16 -2.716 0.074 -5.813 109 HB3 ALA 16 2HB ALA 16 -1.498 1.298 -5.454 110 H ASP 17 H ASP 17 -2.144 -2.252 -3.106 111 HA ASP 17 HA ASP 17 -4.855 -3.031 -3.624 112 HB2 ASP 17 2HB ASP 17 -2.962 -4.575 -3.522 113 HB3 ASP 17 1HB ASP 17 -2.674 -4.157 -1.837 114 H CYS 18 H CYS 18 -3.230 -1.987 -0.619 115 HA CYS 18 HA CYS 18 -5.757 -2.245 0.925 116 HB2 CYS 18 2HB CYS 18 -2.882 -1.519 1.520 117 HB3 CYS 18 1HB CYS 18 -4.145 -1.281 2.727 118 H CYS 19 H CYS 19 -6.513 -0.288 2.184 119 HA CYS 19 HA CYS 19 -6.978 1.980 0.510 120 HB2 CYS 19 2HB CYS 19 -7.379 1.204 3.337 121 HB3 CYS 19 1HB CYS 19 -7.376 2.939 3.018 122 H ASN 20 H ASN 20 -4.060 1.175 2.087 123 HA ASN 20 HA ASN 20 -3.104 3.980 1.791 124 HB2 ASN 20 2HB ASN 20 -2.519 2.080 4.091 125 HB3 ASN 20 1HB ASN 20 -1.929 3.729 3.928 126 HD21 ASN 20 1HD2 ASN 20 -4.807 1.773 4.543 127 HD22 ASN 20 2HD2 ASN 20 -5.760 3.043 5.116 128 H CYS 21 H CYS 21 -1.157 1.410 3.184 129 HA CYS 21 HA CYS 21 0.307 1.127 0.571 130 HB2 CYS 21 2HB CYS 21 1.419 1.341 3.394 131 HB3 CYS 21 1HB CYS 21 2.374 1.147 1.928 132 H CYS 22 H CYS 22 0.858 -1.011 0.058 133 HA CYS 22 HA CYS 22 0.380 -3.093 2.169 134 HB2 CYS 22 2HB CYS 22 -0.410 -4.523 0.223 135 HB3 CYS 22 1HB CYS 22 -1.458 -3.166 0.606 136 H LEU 23 H LEU 23 2.767 -2.885 2.526 137 HA LEU 23 HA LEU 23 4.601 -3.528 0.328 138 HB2 LEU 23 2HB LEU 23 5.110 -3.643 3.318 139 HB3 LEU 23 1HB LEU 23 6.290 -3.358 2.040 140 HG LEU 23 HG LEU 23 4.321 -1.375 1.687 141 HD11 LEU 23 1HD1 LEU 23 3.703 -0.573 3.735 142 HD12 LEU 23 2HD1 LEU 23 5.230 -1.034 4.485 143 HD13 LEU 23 3HD1 LEU 23 3.971 -2.243 4.233 144 HD21 LEU 23 3HD2 LEU 23 7.022 -1.207 3.061 145 HD22 LEU 23 1HD2 LEU 23 6.159 0.137 2.315 146 HD23 LEU 23 2HD2 LEU 23 6.771 -1.182 1.316 147 H SER 24 H SER 24 5.878 -5.461 0.209 148 HA SER 24 HA SER 24 4.572 -7.922 0.302 149 HB2 SER 24 2HB SER 24 7.135 -8.681 0.633 150 HB3 SER 24 1HB SER 24 6.550 -7.984 -0.873 151 HG SER 24 HG SER 24 8.445 -6.935 -0.087 152 H GLY 25 H GLY 25 6.380 -6.350 2.903 153 HA2 GLY 25 2HA GLY 25 6.388 -8.586 4.709 154 HA3 GLY 25 1HA GLY 25 6.610 -6.900 5.177 155 H ILE 26 H ILE 26 4.242 -5.708 4.521 156 HA ILE 26 HA ILE 26 1.871 -7.203 5.259 157 HB ILE 26 HB ILE 26 3.709 -6.283 7.326 158 HG12 ILE 26 2HG1 ILE 26 1.067 -7.581 7.888 159 HG13 ILE 26 1HG1 ILE 26 2.282 -8.480 6.980 160 HG21 ILE 26 1HG2 ILE 26 2.063 -5.245 8.839 161 HG22 ILE 26 2HG2 ILE 26 0.858 -5.272 7.552 162 HG23 ILE 26 3HG2 ILE 26 2.296 -4.265 7.392 163 HD11 ILE 26 3HD1 ILE 26 2.380 -8.828 9.479 164 HD12 ILE 26 1HD1 ILE 26 2.836 -7.132 9.635 165 HD13 ILE 26 2HD1 ILE 26 3.886 -8.252 8.768 166 H CYS 27 H CYS 27 -0.026 -5.719 5.516 167 HA CYS 27 HA CYS 27 0.309 -3.277 3.886 168 HB2 CYS 27 2HB CYS 27 -1.830 -5.079 4.717 169 HB3 CYS 27 1HB CYS 27 -2.307 -3.387 4.863 170 H ALA 28 H ALA 28 0.173 -1.160 4.652 171 HA ALA 28 HA ALA 28 -0.432 -0.718 7.541 172 HB1 ALA 28 3HB ALA 28 2.143 -0.544 6.117 173 HB2 ALA 28 1HB ALA 28 1.826 -0.663 7.846 174 HB3 ALA 28 2HB ALA 28 1.749 0.906 7.046 175 HA HYP 29 HA HYP 29 -2.383 2.987 6.165 176 HB2 HYP 29 1HB HYP 29 -1.628 4.839 8.024 177 HB3 HYP 29 2HB HYP 29 -2.783 3.536 8.371 178 HG HYP 29 HG HYP 29 0.145 3.669 8.933 179 HD22 HYP 29 1HD HYP 29 -1.295 1.054 8.963 180 HD23 HYP 29 2HD HYP 29 0.427 1.406 8.696 181 HD1 HYP 29 HOD HYP 29 -1.871 2.429 10.514 182 H SER 30 H SER 30 -1.945 5.279 5.384 183 HA SER 30 HA SER 30 0.831 5.474 4.282 184 HB2 SER 30 2HB SER 30 -1.827 6.732 3.518 185 HB3 SER 30 1HB SER 30 -0.313 7.033 2.672 186 HG SER 30 HG SER 30 -1.230 5.378 1.583 187 H THR 31 H THR 31 -0.517 6.536 7.017 188 HA THR 31 HA THR 31 -0.064 9.421 6.825 189 HB THR 31 HB THR 31 -0.257 7.818 9.376 190 HG1 THR 31 HG1 THR 31 -2.436 7.566 9.057 191 HG21 THR 31 3HG2 THR 31 -1.603 10.388 8.507 192 HG22 THR 31 1HG2 THR 31 -0.048 10.329 9.339 193 HG23 THR 31 2HG2 THR 31 -1.502 9.735 10.142 194 H ASN 32 H ASN 32 2.243 8.826 5.919 195 HA ASN 32 HA ASN 32 4.149 8.561 8.223 196 HB2 ASN 32 2HB ASN 32 4.781 7.942 5.335 197 HB3 ASN 32 1HB ASN 32 5.576 7.336 6.782 198 HD21 ASN 32 1HD2 ASN 32 4.173 5.812 8.182 199 HD22 ASN 32 2HD2 ASN 32 3.056 4.821 7.375 200 H TRP 33 H TRP 33 6.261 9.697 7.766 201 HA TRP 33 HA TRP 33 5.947 12.095 6.012 202 HB2 TRP 33 2HB TRP 33 7.368 13.168 8.037 203 HB3 TRP 33 1HB TRP 33 5.612 13.179 8.024 204 HD1 TRP 33 HD1 TRP 33 4.568 10.757 9.244 205 HE1 TRP 33 HE1 TRP 33 5.274 9.809 11.538 206 HE3 TRP 33 HE3 TRP 33 9.080 13.064 9.792 207 HZ2 TRP 33 HZ2 TRP 33 7.454 10.026 13.371 208 HZ3 TRP 33 HZ3 TRP 33 10.444 12.695 11.825 209 HH2 TRP 33 HH2 TRP 33 9.639 11.180 13.614 210 H ILE 34 H ILE 34 8.447 10.668 8.164 211 HA ILE 34 HA ILE 34 10.385 10.920 5.912 212 HB ILE 34 HB ILE 34 12.078 10.650 7.682 213 HG12 ILE 34 2HG1 ILE 34 10.622 10.886 10.062 214 HG13 ILE 34 1HG1 ILE 34 9.778 9.632 9.159 215 HG21 ILE 34 1HG2 ILE 34 9.908 12.694 7.958 216 HG22 ILE 34 2HG2 ILE 34 11.591 12.903 7.479 217 HG23 ILE 34 3HG2 ILE 34 11.184 12.643 9.174 218 HD11 ILE 34 3HD1 ILE 34 11.769 8.918 10.664 219 HD12 ILE 34 1HD1 ILE 34 12.783 9.609 9.396 220 HD13 ILE 34 2HD1 ILE 34 11.696 8.270 9.024 221 H LEU 35 H LEU 35 8.464 8.593 7.525 222 HA LEU 35 HA LEU 35 10.211 6.283 7.144 223 HB2 LEU 35 2HB LEU 35 7.411 6.868 8.058 224 HB3 LEU 35 1HB LEU 35 7.799 5.216 7.583 225 HG LEU 35 HG LEU 35 9.929 5.660 9.131 226 HD11 LEU 35 1HD1 LEU 35 7.813 7.602 10.072 227 HD12 LEU 35 2HD1 LEU 35 9.526 7.907 9.783 228 HD13 LEU 35 3HD1 LEU 35 9.024 6.943 11.171 229 HD21 LEU 35 3HD2 LEU 35 7.199 5.088 10.317 230 HD22 LEU 35 1HD2 LEU 35 8.758 4.510 10.905 231 HD23 LEU 35 2HD2 LEU 35 8.120 3.916 9.372 232 HA PRO 36 HA PRO 36 9.139 5.714 2.881 233 HB2 PRO 36 2HB PRO 36 9.926 3.098 2.623 234 HB3 PRO 36 1HB PRO 36 11.072 4.453 2.686 235 HG2 PRO 36 2HG PRO 36 10.271 2.548 4.831 236 HG3 PRO 36 1HG PRO 36 11.863 3.234 4.466 237 HD2 PRO 36 2HD PRO 36 10.278 4.136 6.488 238 HD3 PRO 36 1HD PRO 36 11.448 5.162 5.628 239 H GLY 37 H GLY 37 6.891 5.701 2.687 240 HA2 GLY 37 2HA GLY 37 5.382 3.339 3.687 241 HA3 GLY 37 1HA GLY 37 4.663 4.867 3.173 242 H CYS 38 H CYS 38 3.918 4.999 1.070 243 HA CYS 38 HA CYS 38 5.002 3.092 -0.939 244 HB2 CYS 38 2HB CYS 38 2.708 2.311 -1.458 245 HB3 CYS 38 1HB CYS 38 3.157 1.938 0.203 246 H SER 39 H SER 39 5.090 6.045 -0.638 247 HA SER 39 HA SER 39 3.217 7.231 -2.522 248 HB2 SER 39 2HB SER 39 5.889 8.383 -1.738 249 HB3 SER 39 1HB SER 39 4.353 9.215 -1.970 250 HG SER 39 HG SER 39 4.659 9.054 0.217 251 H THR 40 H THR 40 3.662 5.565 -4.275 252 HA THR 40 HA THR 40 6.055 6.360 -5.905 253 HB THR 40 HB THR 40 4.893 3.642 -6.242 254 HG1 THR 40 HG1 THR 40 4.802 3.679 -4.039 255 HG21 THR 40 3HG2 THR 40 7.277 3.039 -6.342 256 HG22 THR 40 1HG2 THR 40 7.714 4.678 -5.859 257 HG23 THR 40 2HG2 THR 40 6.926 4.397 -7.412 258 H SER 41 H SER 41 5.519 7.051 -7.961 259 HA SER 41 HA SER 41 3.070 6.066 -9.297 260 HB2 SER 41 2HB SER 41 2.540 8.024 -7.701 261 HB3 SER 41 1HB SER 41 3.462 9.033 -8.813 262 HG SER 41 HG SER 41 1.107 7.527 -9.309 263 H SER 42 H SER 42 3.124 6.507 -11.583 264 HA SER 42 HA SER 42 5.802 7.408 -12.580 265 HB2 SER 42 2HB SER 42 5.278 5.142 -13.165 266 HB3 SER 42 1HB SER 42 3.628 5.568 -13.611 267 HG SER 42 HG SER 42 4.309 6.314 -15.482 268 H PHE 43 H PHE 43 5.203 9.693 -12.521 269 HA PHE 43 HA PHE 43 3.560 10.513 -14.871 270 HB2 PHE 43 2HB PHE 43 2.195 10.366 -12.726 271 HB3 PHE 43 1HB PHE 43 3.216 11.646 -12.075 272 HD1 PHE 43 HD1 PHE 43 1.595 11.061 -15.430 273 HD2 PHE 43 HD2 PHE 43 2.089 13.679 -12.058 274 HE1 PHE 43 HE1 PHE 43 0.169 12.764 -16.543 275 HE2 PHE 43 HE2 PHE 43 0.666 15.375 -13.168 276 HZ PHE 43 HZ PHE 43 -0.298 14.921 -15.407 277 H PHE 44 H PHE 44 6.515 10.587 -13.947 278 HA PHE 44 HA PHE 44 6.944 13.479 -14.561 279 HB2 PHE 44 2HB PHE 44 8.726 12.216 -12.527 280 HB3 PHE 44 1HB PHE 44 8.130 13.869 -12.609 281 HD1 PHE 44 HD2 PHE 44 5.797 14.396 -11.838 282 HD2 PHE 44 HD1 PHE 44 7.568 10.517 -11.287 283 HE1 PHE 44 HE2 PHE 44 4.063 13.841 -10.152 284 HE2 PHE 44 HE1 PHE 44 5.835 9.966 -9.606 285 HZ PHE 44 HZ PHE 44 4.085 11.627 -9.032 286 H LYS 45 H LYS 45 9.827 13.231 -14.141 287 HA LYS 45 HA LYS 45 10.579 11.987 -16.674 288 HB2 LYS 45 2HB LYS 45 11.460 14.107 -15.277 289 HB3 LYS 45 1HB LYS 45 12.549 12.894 -14.601 290 HG2 LYS 45 2HG LYS 45 13.591 12.485 -16.654 291 HG3 LYS 45 1HG LYS 45 12.209 13.060 -17.586 292 HD2 LYS 45 2HD LYS 45 13.918 14.741 -17.775 293 HD3 LYS 45 1HD LYS 45 12.695 15.379 -16.678 294 HE2 LYS 45 2HE LYS 45 14.268 14.185 -14.846 295 HE3 LYS 45 1HE LYS 45 15.495 14.504 -16.089 296 HZ1 LYS 45 3HZ LYS 45 13.551 16.615 -15.397 297 HZ2 LYS 45 1HZ LYS 45 15.119 16.762 -16.024 298 HZ3 LYS 45 2HZ LYS 45 14.894 16.361 -14.392 299 H ILE 46 H ILE 46 12.953 10.724 -16.237 300 HA ILE 46 HA ILE 46 12.166 8.262 -14.805 301 HB ILE 46 HB ILE 46 14.570 9.025 -16.509 302 HG12 ILE 46 2HG1 ILE 46 12.239 8.977 -17.587 303 HG13 ILE 46 1HG1 ILE 46 13.456 7.937 -18.324 304 HG21 ILE 46 1HG2 ILE 46 14.792 6.491 -16.689 305 HG22 ILE 46 2HG2 ILE 46 13.662 6.386 -15.340 306 HG23 ILE 46 3HG2 ILE 46 15.219 7.184 -15.124 307 HD11 ILE 46 3HD1 ILE 46 12.361 6.035 -17.733 308 HD12 ILE 46 1HD1 ILE 46 10.965 7.094 -17.533 309 HD13 ILE 46 2HD1 ILE 46 11.950 6.660 -16.136 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -15.086 -5.968 4.521 2 H2 GLY 1 2H GLY 1 -16.089 -5.735 5.871 3 H3 GLY 1 3H GLY 1 -14.409 -5.768 6.062 4 HA2 GLY 1 2HA GLY 1 -15.708 -3.521 5.999 5 HA3 GLY 1 1HA GLY 1 -14.112 -3.671 5.265 6 HA HYP 2 HA HYP 2 -17.611 -3.109 2.013 7 HB2 HYP 2 1HB HYP 2 -18.520 -0.554 2.315 8 HB3 HYP 2 2HB HYP 2 -19.287 -1.950 3.095 9 HG HYP 2 HG HYP 2 -17.438 0.081 4.226 10 HD22 HYP 2 1HD HYP 2 -17.559 -2.483 5.679 11 HD23 HYP 2 2HD HYP 2 -16.200 -1.366 5.433 12 HD1 HYP 2 HOD HYP 2 -19.343 0.308 5.203 13 H SER 3 H SER 3 -15.036 -1.070 3.186 14 HA SER 3 HA SER 3 -14.671 0.756 1.065 15 HB2 SER 3 2HB SER 3 -12.260 -0.508 2.260 16 HB3 SER 3 1HB SER 3 -12.714 1.192 2.184 17 HG SER 3 HG SER 3 -12.858 0.461 4.317 18 H PHE 4 H PHE 4 -13.772 0.582 -0.986 19 HA PHE 4 HA PHE 4 -13.455 -2.096 -2.153 20 HB2 PHE 4 2HB PHE 4 -13.220 0.752 -3.146 21 HB3 PHE 4 1HB PHE 4 -12.890 -0.626 -4.193 22 HD1 PHE 4 HD2 PHE 4 -14.788 -2.579 -3.929 23 HD2 PHE 4 HD1 PHE 4 -15.372 1.624 -3.260 24 HE1 PHE 4 HE2 PHE 4 -17.217 -2.851 -4.349 25 HE2 PHE 4 HE1 PHE 4 -17.802 1.351 -3.677 26 HZ PHE 4 HZ PHE 4 -18.725 -0.887 -4.221 27 H CYS 5 H CYS 5 -11.551 -2.136 -0.271 28 HA CYS 5 HA CYS 5 -9.054 -2.267 -1.788 29 HB2 CYS 5 2HB CYS 5 -7.952 -0.612 -0.130 30 HB3 CYS 5 1HB CYS 5 -8.952 0.071 -1.406 31 H LYS 6 H LYS 6 -7.349 -3.305 -0.508 32 HA LYS 6 HA LYS 6 -8.365 -5.223 1.397 33 HB2 LYS 6 2HB LYS 6 -6.307 -5.138 -0.334 34 HB3 LYS 6 1HB LYS 6 -5.448 -4.626 1.112 35 HG2 LYS 6 2HG LYS 6 -5.400 -6.722 1.893 36 HG3 LYS 6 1HG LYS 6 -7.153 -6.857 1.760 37 HD2 LYS 6 2HD LYS 6 -5.134 -7.355 -0.459 38 HD3 LYS 6 1HD LYS 6 -6.092 -8.580 0.373 39 HE2 LYS 6 2HE LYS 6 -7.536 -6.309 -0.981 40 HE3 LYS 6 1HE LYS 6 -6.909 -7.640 -1.969 41 HZ1 LYS 6 3HZ LYS 6 -9.223 -7.927 -0.977 42 HZ2 LYS 6 1HZ LYS 6 -8.447 -8.144 0.514 43 HZ3 LYS 6 2HZ LYS 6 -8.131 -9.210 -0.769 44 H ALA 7 H ALA 7 -7.324 -5.448 3.621 45 HA ALA 7 HA ALA 7 -7.292 -2.774 4.956 46 HB1 ALA 7 3HB ALA 7 -7.322 -5.175 6.629 47 HB2 ALA 7 1HB ALA 7 -8.615 -5.172 5.430 48 HB3 ALA 7 2HB ALA 7 -8.469 -3.837 6.573 49 H ASP 8 H ASP 8 -5.900 -2.891 7.086 50 HA ASP 8 HA ASP 8 -3.133 -3.055 6.326 51 HB2 ASP 8 2HB ASP 8 -4.754 -2.556 8.790 52 HB3 ASP 8 1HB ASP 8 -3.043 -2.922 9.006 53 H GLU 9 H GLU 9 -1.625 -4.376 7.981 54 HA GLU 9 HA GLU 9 -0.875 -6.451 8.808 55 HB2 GLU 9 2HB GLU 9 -3.553 -6.299 9.460 56 HB3 GLU 9 1HB GLU 9 -3.467 -7.817 8.569 57 HG2 GLU 9 2HG GLU 9 -2.934 -8.566 10.700 58 HG3 GLU 9 1HG GLU 9 -1.322 -8.203 10.089 59 H LYS 10 H LYS 10 -3.425 -7.067 6.379 60 HA LYS 10 HA LYS 10 -1.871 -9.218 5.113 61 HB2 LYS 10 2HB LYS 10 -3.853 -9.127 3.490 62 HB3 LYS 10 1HB LYS 10 -4.260 -9.453 5.169 63 HG2 LYS 10 2HG LYS 10 -4.228 -6.593 4.655 64 HG3 LYS 10 1HG LYS 10 -5.317 -7.420 3.543 65 HD2 LYS 10 2HD LYS 10 -5.425 -8.218 6.421 66 HD3 LYS 10 1HD LYS 10 -6.117 -6.656 5.984 67 HE2 LYS 10 2HE LYS 10 -7.993 -7.827 5.414 68 HE3 LYS 10 1HE LYS 10 -7.078 -8.361 3.991 69 HZ1 LYS 10 3HZ LYS 10 -6.157 -10.173 5.340 70 HZ2 LYS 10 1HZ LYS 10 -7.843 -10.277 5.225 71 HZ3 LYS 10 2HZ LYS 10 -7.126 -9.695 6.650 72 HA HYP 11 HA HYP 11 0.195 -5.986 2.737 73 HB2 HYP 11 1HB HYP 11 2.280 -7.539 1.937 74 HB3 HYP 11 2HB HYP 11 2.184 -6.785 3.534 75 HG HYP 11 HG HYP 11 2.380 -8.885 4.256 76 HD22 HYP 11 1HD HYP 11 0.389 -8.730 5.223 77 HD23 HYP 11 2HD HYP 11 -0.185 -9.852 3.977 78 HD1 HYP 11 HOD HYP 11 1.178 -9.747 1.805 79 H CYS 12 H CYS 12 1.289 -6.112 0.410 80 HA CYS 12 HA CYS 12 -0.162 -8.017 -1.386 81 HB2 CYS 12 2HB CYS 12 -1.308 -6.337 -2.517 82 HB3 CYS 12 1HB CYS 12 -1.259 -5.618 -0.911 83 H GLU 13 H GLU 13 0.648 -7.056 -3.822 84 HA GLU 13 HA GLU 13 3.585 -7.465 -3.739 85 HB2 GLU 13 2HB GLU 13 1.921 -7.010 -6.217 86 HB3 GLU 13 1HB GLU 13 3.345 -8.025 -6.017 87 HG2 GLU 13 2HG GLU 13 1.889 -9.754 -5.859 88 HG3 GLU 13 1HG GLU 13 1.546 -9.158 -4.236 89 H TYR 14 H TYR 14 1.242 -5.039 -4.924 90 HA TYR 14 HA TYR 14 3.456 -3.157 -5.544 91 HB2 TYR 14 2HB TYR 14 0.455 -2.807 -5.881 92 HB3 TYR 14 1HB TYR 14 1.736 -1.931 -6.723 93 HD1 TYR 14 HD2 TYR 14 3.308 -3.261 -8.253 94 HD2 TYR 14 HD1 TYR 14 -0.391 -4.822 -6.732 95 HE1 TYR 14 HE2 TYR 14 3.323 -5.005 -10.013 96 HE2 TYR 14 HE1 TYR 14 -0.373 -6.574 -8.491 97 HH TYR 14 HH TYR 14 0.610 -6.931 -10.720 98 H HIS 15 H HIS 15 1.045 -1.103 -4.883 99 HA HIS 15 HA HIS 15 1.495 -1.009 -1.932 100 HB2 HIS 15 2HB HIS 15 2.767 0.562 -3.935 101 HB3 HIS 15 1HB HIS 15 1.652 1.621 -3.073 102 HD1 HIS 15 HD1 HIS 15 3.884 2.745 -2.099 103 HD2 HIS 15 HD2 HIS 15 3.127 -1.152 -0.816 104 HE1 HIS 15 HE1 HIS 15 5.358 2.358 -0.071 105 H ALA 16 H ALA 16 -0.817 -0.930 -4.380 106 HA ALA 16 HA ALA 16 -2.544 1.017 -2.890 107 HB1 ALA 16 3HB ALA 16 -3.581 1.451 -4.964 108 HB2 ALA 16 1HB ALA 16 -3.025 -0.072 -5.659 109 HB3 ALA 16 2HB ALA 16 -1.881 1.241 -5.382 110 H ASP 17 H ASP 17 -2.147 -2.339 -3.257 111 HA ASP 17 HA ASP 17 -4.729 -3.389 -3.568 112 HB2 ASP 17 2HB ASP 17 -2.369 -4.453 -3.165 113 HB3 ASP 17 1HB ASP 17 -2.828 -4.397 -1.464 114 H CYS 18 H CYS 18 -3.202 -2.227 -0.548 115 HA CYS 18 HA CYS 18 -5.731 -2.583 0.946 116 HB2 CYS 18 2HB CYS 18 -2.911 -1.721 1.589 117 HB3 CYS 18 1HB CYS 18 -4.206 -1.570 2.781 118 H CYS 19 H CYS 19 -6.721 -0.762 2.096 119 HA CYS 19 HA CYS 19 -7.303 1.505 0.513 120 HB2 CYS 19 2HB CYS 19 -7.357 1.384 3.533 121 HB3 CYS 19 1HB CYS 19 -8.413 2.325 2.482 122 H ASN 20 H ASN 20 -4.369 0.952 2.232 123 HA ASN 20 HA ASN 20 -3.670 3.840 1.898 124 HB2 ASN 20 2HB ASN 20 -2.808 2.064 4.208 125 HB3 ASN 20 1HB ASN 20 -2.582 3.806 4.051 126 HD21 ASN 20 1HD2 ASN 20 -4.988 1.291 4.703 127 HD22 ASN 20 2HD2 ASN 20 -6.199 2.346 5.223 128 H CYS 21 H CYS 21 -1.656 1.145 3.130 129 HA CYS 21 HA CYS 21 -0.160 1.120 0.539 130 HB2 CYS 21 2HB CYS 21 0.798 1.931 3.275 131 HB3 CYS 21 1HB CYS 21 1.924 1.173 2.147 132 H CYS 22 H CYS 22 0.633 -0.967 0.069 133 HA CYS 22 HA CYS 22 0.327 -3.022 2.247 134 HB2 CYS 22 2HB CYS 22 -0.366 -4.556 0.347 135 HB3 CYS 22 1HB CYS 22 -1.494 -3.250 0.689 136 H LEU 23 H LEU 23 2.691 -2.797 2.651 137 HA LEU 23 HA LEU 23 4.570 -3.367 0.471 138 HB2 LEU 23 2HB LEU 23 4.653 -2.983 3.458 139 HB3 LEU 23 1HB LEU 23 6.066 -3.653 2.644 140 HG LEU 23 HG LEU 23 4.725 -1.110 1.701 141 HD11 LEU 23 1HD1 LEU 23 6.837 -1.545 3.801 142 HD12 LEU 23 2HD1 LEU 23 5.403 -0.520 3.876 143 HD13 LEU 23 3HD1 LEU 23 6.774 -0.050 2.869 144 HD21 LEU 23 3HD2 LEU 23 7.092 -0.782 0.794 145 HD22 LEU 23 1HD2 LEU 23 6.151 -2.059 0.028 146 HD23 LEU 23 2HD2 LEU 23 7.391 -2.468 1.217 147 H SER 24 H SER 24 5.584 -5.366 0.067 148 HA SER 24 HA SER 24 4.270 -7.768 0.292 149 HB2 SER 24 2HB SER 24 6.577 -7.006 -0.764 150 HB3 SER 24 1HB SER 24 7.235 -7.772 0.686 151 HG SER 24 HG SER 24 6.555 -9.684 0.003 152 H GLY 25 H GLY 25 6.282 -6.349 2.818 153 HA2 GLY 25 2HA GLY 25 6.319 -8.654 4.533 154 HA3 GLY 25 1HA GLY 25 6.609 -7.000 5.054 155 H ILE 26 H ILE 26 4.330 -5.668 4.720 156 HA ILE 26 HA ILE 26 1.954 -7.209 5.558 157 HB ILE 26 HB ILE 26 3.597 -5.439 7.397 158 HG12 ILE 26 2HG1 ILE 26 4.101 -7.856 7.478 159 HG13 ILE 26 1HG1 ILE 26 3.376 -7.311 8.985 160 HG21 ILE 26 1HG2 ILE 26 1.687 -5.653 9.044 161 HG22 ILE 26 2HG2 ILE 26 0.695 -6.232 7.708 162 HG23 ILE 26 3HG2 ILE 26 1.361 -4.600 7.667 163 HD11 ILE 26 3HD1 ILE 26 1.174 -8.125 8.233 164 HD12 ILE 26 1HD1 ILE 26 2.363 -9.427 8.255 165 HD13 ILE 26 2HD1 ILE 26 1.896 -8.687 6.725 166 H CYS 27 H CYS 27 0.029 -5.746 5.753 167 HA CYS 27 HA CYS 27 0.294 -3.362 3.997 168 HB2 CYS 27 2HB CYS 27 -1.777 -5.245 4.780 169 HB3 CYS 27 1HB CYS 27 -2.341 -3.579 4.914 170 H ALA 28 H ALA 28 -0.047 -1.240 4.693 171 HA ALA 28 HA ALA 28 -0.789 -0.739 7.523 172 HB1 ALA 28 3HB ALA 28 1.900 -0.900 6.501 173 HB2 ALA 28 1HB ALA 28 1.380 -0.527 8.145 174 HB3 ALA 28 2HB ALA 28 1.584 0.772 6.970 175 HA HYP 29 HA HYP 29 -2.265 3.178 6.057 176 HB2 HYP 29 1HB HYP 29 -0.908 5.128 7.454 177 HB3 HYP 29 2HB HYP 29 -2.188 4.128 8.184 178 HG HYP 29 HG HYP 29 0.776 3.766 8.255 179 HD22 HYP 29 1HD HYP 29 -1.123 1.558 8.947 180 HD23 HYP 29 2HD HYP 29 0.588 1.473 8.464 181 HD1 HYP 29 HOD HYP 29 0.440 3.698 10.415 182 H SER 30 H SER 30 -1.477 5.418 5.079 183 HA SER 30 HA SER 30 0.260 4.977 2.882 184 HB2 SER 30 2HB SER 30 -0.013 7.662 4.238 185 HB3 SER 30 1HB SER 30 -0.052 7.288 2.513 186 HG SER 30 HG SER 30 -2.142 7.716 3.320 187 H THR 31 H THR 31 0.967 6.274 6.132 188 HA THR 31 HA THR 31 3.737 5.382 5.933 189 HB THR 31 HB THR 31 3.093 7.906 4.926 190 HG1 THR 31 HG1 THR 31 5.325 8.112 4.853 191 HG21 THR 31 3HG2 THR 31 4.551 8.323 7.539 192 HG22 THR 31 1HG2 THR 31 2.803 8.553 7.402 193 HG23 THR 31 2HG2 THR 31 3.903 9.550 6.444 194 H ASN 32 H ASN 32 4.912 6.038 7.982 195 HA ASN 32 HA ASN 32 3.066 6.395 10.323 196 HB2 ASN 32 2HB ASN 32 5.496 4.569 10.294 197 HB3 ASN 32 1HB ASN 32 4.201 4.619 11.486 198 HD21 ASN 32 1HD2 ASN 32 5.292 2.929 8.802 199 HD22 ASN 32 2HD2 ASN 32 3.853 2.167 8.361 200 H TRP 33 H TRP 33 6.359 6.544 9.058 201 HA TRP 33 HA TRP 33 6.912 9.062 10.396 202 HB2 TRP 33 2HB TRP 33 9.029 7.824 11.481 203 HB3 TRP 33 1HB TRP 33 7.486 7.891 12.321 204 HD1 TRP 33 HD1 TRP 33 7.995 5.574 9.351 205 HE1 TRP 33 HE1 TRP 33 7.923 3.106 10.161 206 HE3 TRP 33 HE3 TRP 33 7.868 6.328 14.378 207 HZ2 TRP 33 HZ2 TRP 33 7.794 1.681 12.639 208 HZ3 TRP 33 HZ3 TRP 33 7.763 4.419 15.943 209 HH2 TRP 33 HH2 TRP 33 7.726 2.094 15.074 210 H ILE 34 H ILE 34 9.686 7.026 9.837 211 HA ILE 34 HA ILE 34 10.103 8.404 7.207 212 HB ILE 34 HB ILE 34 12.132 7.402 9.228 213 HG12 ILE 34 2HG1 ILE 34 11.621 10.320 8.779 214 HG13 ILE 34 1HG1 ILE 34 10.447 9.436 9.753 215 HG21 ILE 34 1HG2 ILE 34 12.333 9.161 6.770 216 HG22 ILE 34 2HG2 ILE 34 13.107 7.597 7.028 217 HG23 ILE 34 3HG2 ILE 34 13.617 9.005 7.963 218 HD11 ILE 34 3HD1 ILE 34 13.437 9.480 10.246 219 HD12 ILE 34 1HD1 ILE 34 12.236 8.645 11.233 220 HD13 ILE 34 2HD1 ILE 34 12.242 10.406 11.155 221 H LEU 35 H LEU 35 9.997 5.337 8.812 222 HA LEU 35 HA LEU 35 11.627 3.730 7.152 223 HB2 LEU 35 2HB LEU 35 10.431 3.220 9.370 224 HB3 LEU 35 1HB LEU 35 9.008 2.858 8.391 225 HG LEU 35 HG LEU 35 11.444 1.561 7.383 226 HD11 LEU 35 1HD1 LEU 35 10.333 0.720 10.077 227 HD12 LEU 35 2HD1 LEU 35 11.888 1.513 9.840 228 HD13 LEU 35 3HD1 LEU 35 11.611 -0.099 9.176 229 HD21 LEU 35 3HD2 LEU 35 8.847 0.322 8.323 230 HD22 LEU 35 1HD2 LEU 35 9.945 -0.261 7.071 231 HD23 LEU 35 2HD2 LEU 35 8.965 1.177 6.784 232 HA PRO 36 HA PRO 36 7.899 2.767 4.369 233 HB2 PRO 36 2HB PRO 36 5.631 4.274 4.567 234 HB3 PRO 36 1HB PRO 36 5.903 2.798 5.518 235 HG2 PRO 36 2HG PRO 36 6.151 5.648 6.317 236 HG3 PRO 36 1HG PRO 36 5.593 4.258 7.262 237 HD2 PRO 36 2HD PRO 36 8.092 5.403 7.471 238 HD3 PRO 36 1HD PRO 36 7.707 3.736 7.946 239 H GLY 37 H GLY 37 7.648 3.579 2.250 240 HA2 GLY 37 2HA GLY 37 8.114 6.514 1.864 241 HA3 GLY 37 1HA GLY 37 9.026 5.325 0.925 242 H CYS 38 H CYS 38 5.576 5.841 1.813 243 HA CYS 38 HA CYS 38 4.691 4.674 -0.713 244 HB2 CYS 38 2HB CYS 38 3.424 6.063 1.649 245 HB3 CYS 38 1HB CYS 38 2.450 5.672 0.232 246 H SER 39 H SER 39 6.095 6.308 -2.015 247 HA SER 39 HA SER 39 5.246 9.093 -2.169 248 HB2 SER 39 2HB SER 39 7.425 7.680 -2.874 249 HB3 SER 39 1HB SER 39 6.613 7.720 -4.436 250 HG SER 39 HG SER 39 7.767 9.576 -4.380 251 H THR 40 H THR 40 3.348 9.750 -3.136 252 HA THR 40 HA THR 40 2.169 7.971 -5.238 253 HB THR 40 HB THR 40 0.033 9.167 -4.444 254 HG1 THR 40 HG1 THR 40 0.834 10.885 -3.341 255 HG21 THR 40 3HG2 THR 40 -0.094 7.109 -3.503 256 HG22 THR 40 1HG2 THR 40 0.495 7.878 -2.030 257 HG23 THR 40 2HG2 THR 40 1.632 7.092 -3.124 258 H SER 41 H SER 41 3.535 9.141 -6.854 259 HA SER 41 HA SER 41 2.287 11.757 -7.626 260 HB2 SER 41 2HB SER 41 5.239 11.050 -7.801 261 HB3 SER 41 1HB SER 41 4.506 12.628 -8.088 262 HG SER 41 HG SER 41 3.754 12.454 -5.841 263 H SER 42 H SER 42 1.036 10.407 -9.161 264 HA SER 42 HA SER 42 2.681 9.571 -11.534 265 HB2 SER 42 2HB SER 42 0.163 8.234 -10.504 266 HB3 SER 42 1HB SER 42 1.250 7.632 -11.748 267 HG SER 42 HG SER 42 1.352 7.266 -9.111 268 H PHE 43 H PHE 43 1.710 10.063 -13.567 269 HA PHE 43 HA PHE 43 -0.474 12.062 -13.471 270 HB2 PHE 43 2HB PHE 43 1.264 11.027 -15.737 271 HB3 PHE 43 1HB PHE 43 0.164 12.396 -15.851 272 HD1 PHE 43 HD2 PHE 43 0.603 13.753 -13.248 273 HD2 PHE 43 HD1 PHE 43 3.419 11.947 -15.949 274 HE1 PHE 43 HE2 PHE 43 2.391 15.236 -12.381 275 HE2 PHE 43 HE1 PHE 43 5.204 13.434 -15.079 276 HZ PHE 43 HZ PHE 43 4.689 15.078 -13.295 277 H PHE 44 H PHE 44 0.053 8.743 -14.432 278 HA PHE 44 HA PHE 44 -2.830 8.364 -14.881 279 HB2 PHE 44 2HB PHE 44 -2.481 7.531 -17.193 280 HB3 PHE 44 1HB PHE 44 -2.008 9.217 -17.046 281 HD1 PHE 44 HD1 PHE 44 0.494 9.710 -16.598 282 HD2 PHE 44 HD2 PHE 44 -0.965 5.927 -17.999 283 HE1 PHE 44 HE1 PHE 44 2.765 9.147 -17.420 284 HE2 PHE 44 HE2 PHE 44 1.306 5.359 -18.824 285 HZ PHE 44 HZ PHE 44 3.170 6.967 -18.535 286 H LYS 45 H LYS 45 -1.051 7.285 -12.906 287 HA LYS 45 HA LYS 45 -1.081 4.382 -13.675 288 HB2 LYS 45 2HB LYS 45 1.206 5.356 -13.779 289 HB3 LYS 45 1HB LYS 45 1.030 5.923 -12.119 290 HG2 LYS 45 2HG LYS 45 0.583 3.451 -11.514 291 HG3 LYS 45 1HG LYS 45 1.233 3.081 -13.111 292 HD2 LYS 45 2HD LYS 45 3.192 3.009 -11.894 293 HD3 LYS 45 1HD LYS 45 3.172 4.721 -12.311 294 HE2 LYS 45 2HE LYS 45 3.598 4.669 -9.953 295 HE3 LYS 45 1HE LYS 45 1.871 5.061 -10.087 296 HZ1 LYS 45 3HZ LYS 45 1.267 3.082 -9.262 297 HZ2 LYS 45 1HZ LYS 45 2.877 2.945 -8.717 298 HZ3 LYS 45 2HZ LYS 45 2.428 2.233 -10.189 299 H ILE 46 H ILE 46 -1.347 2.957 -11.797 300 HA ILE 46 HA ILE 46 -3.193 3.992 -9.797 301 HB ILE 46 HB ILE 46 -1.742 1.330 -10.040 302 HG12 ILE 46 2HG1 ILE 46 -3.104 2.049 -12.072 303 HG13 ILE 46 1HG1 ILE 46 -3.630 0.546 -11.318 304 HG21 ILE 46 1HG2 ILE 46 -2.774 1.719 -7.827 305 HG22 ILE 46 2HG2 ILE 46 -3.609 0.443 -8.712 306 HG23 ILE 46 3HG2 ILE 46 -4.319 2.054 -8.611 307 HD11 ILE 46 3HD1 ILE 46 -5.645 1.411 -10.795 308 HD12 ILE 46 1HD1 ILE 46 -5.231 2.766 -11.844 309 HD13 ILE 46 2HD1 ILE 46 -4.918 2.866 -10.111 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -12.626 7.161 -7.444 2 H2 GLY 1 2H GLY 1 -13.230 7.936 -6.058 3 H3 GLY 1 3H GLY 1 -13.654 8.499 -7.603 4 HA2 GLY 1 2HA GLY 1 -15.459 7.241 -7.524 5 HA3 GLY 1 1HA GLY 1 -14.383 5.844 -7.590 6 HA HYP 2 HA HYP 2 -16.666 5.650 -3.584 7 HB2 HYP 2 1HB HYP 2 -17.101 2.949 -3.688 8 HB3 HYP 2 2HB HYP 2 -18.186 4.137 -4.438 9 HG HYP 2 HG HYP 2 -16.037 2.488 -5.672 10 HD22 HYP 2 1HD HYP 2 -17.000 4.914 -7.095 11 HD23 HYP 2 2HD HYP 2 -15.421 4.103 -7.163 12 HD1 HYP 2 HOD HYP 2 -18.637 3.348 -6.526 13 H SER 3 H SER 3 -15.881 4.727 -1.582 14 HA SER 3 HA SER 3 -13.013 4.195 -1.530 15 HB2 SER 3 2HB SER 3 -13.788 3.833 0.998 16 HB3 SER 3 1HB SER 3 -13.752 5.443 0.285 17 HG SER 3 HG SER 3 -15.950 3.723 0.759 18 H PHE 4 H PHE 4 -12.164 2.159 -1.854 19 HA PHE 4 HA PHE 4 -13.321 -0.191 -0.528 20 HB2 PHE 4 2HB PHE 4 -14.419 0.514 -2.933 21 HB3 PHE 4 1HB PHE 4 -13.123 -0.558 -3.465 22 HD1 PHE 4 HD1 PHE 4 -15.850 -0.366 -0.891 23 HD2 PHE 4 HD2 PHE 4 -13.502 -2.863 -3.481 24 HE1 PHE 4 HE1 PHE 4 -17.205 -2.333 -0.227 25 HE2 PHE 4 HE2 PHE 4 -14.858 -4.827 -2.815 26 HZ PHE 4 HZ PHE 4 -16.708 -4.562 -1.189 27 H CYS 5 H CYS 5 -11.487 -1.294 0.130 28 HA CYS 5 HA CYS 5 -9.398 -2.070 -1.725 29 HB2 CYS 5 2HB CYS 5 -7.683 -0.644 -0.252 30 HB3 CYS 5 1HB CYS 5 -8.482 0.051 -1.660 31 H LYS 6 H LYS 6 -7.391 -2.908 -0.316 32 HA LYS 6 HA LYS 6 -8.469 -4.808 1.618 33 HB2 LYS 6 2HB LYS 6 -6.497 -4.875 -0.193 34 HB3 LYS 6 1HB LYS 6 -5.542 -4.327 1.179 35 HG2 LYS 6 2HG LYS 6 -5.407 -6.697 1.223 36 HG3 LYS 6 1HG LYS 6 -6.550 -6.269 2.491 37 HD2 LYS 6 2HD LYS 6 -7.501 -8.112 1.240 38 HD3 LYS 6 1HD LYS 6 -8.420 -6.663 0.843 39 HE2 LYS 6 2HE LYS 6 -7.843 -8.037 -1.183 40 HE3 LYS 6 1HE LYS 6 -7.166 -6.401 -1.260 41 HZ1 LYS 6 3HZ LYS 6 -5.060 -7.145 -0.703 42 HZ2 LYS 6 1HZ LYS 6 -5.629 -8.391 -1.706 43 HZ3 LYS 6 2HZ LYS 6 -5.635 -8.605 -0.026 44 H ALA 7 H ALA 7 -7.366 -5.039 3.807 45 HA ALA 7 HA ALA 7 -7.141 -2.360 5.113 46 HB1 ALA 7 3HB ALA 7 -8.781 -4.310 5.702 47 HB2 ALA 7 1HB ALA 7 -7.988 -3.435 7.009 48 HB3 ALA 7 2HB ALA 7 -7.380 -5.014 6.512 49 H ASP 8 H ASP 8 -5.734 -2.610 7.241 50 HA ASP 8 HA ASP 8 -2.979 -2.819 6.446 51 HB2 ASP 8 2HB ASP 8 -4.453 -2.553 9.067 52 HB3 ASP 8 1HB ASP 8 -2.692 -2.588 8.995 53 H GLU 9 H GLU 9 -1.432 -4.176 7.887 54 HA GLU 9 HA GLU 9 -0.611 -6.249 8.623 55 HB2 GLU 9 2HB GLU 9 -2.949 -6.101 9.847 56 HB3 GLU 9 1HB GLU 9 -3.398 -7.367 8.697 57 HG2 GLU 9 2HG GLU 9 -0.984 -8.323 9.507 58 HG3 GLU 9 1HG GLU 9 -1.480 -7.481 10.977 59 H LYS 10 H LYS 10 -3.448 -6.900 6.576 60 HA LYS 10 HA LYS 10 -2.090 -9.071 5.170 61 HB2 LYS 10 2HB LYS 10 -4.208 -8.752 3.635 62 HB3 LYS 10 1HB LYS 10 -4.425 -9.365 5.270 63 HG2 LYS 10 2HG LYS 10 -4.478 -6.428 5.085 64 HG3 LYS 10 1HG LYS 10 -5.767 -7.215 4.179 65 HD2 LYS 10 2HD LYS 10 -5.208 -8.195 6.950 66 HD3 LYS 10 1HD LYS 10 -6.042 -6.651 6.777 67 HE2 LYS 10 2HE LYS 10 -7.955 -7.846 6.513 68 HE3 LYS 10 1HE LYS 10 -7.322 -8.361 4.937 69 HZ1 LYS 10 3HZ LYS 10 -6.248 -10.219 5.940 70 HZ2 LYS 10 1HZ LYS 10 -7.845 -10.224 6.508 71 HZ3 LYS 10 2HZ LYS 10 -6.593 -9.666 7.506 72 HA HYP 11 HA HYP 11 -0.126 -5.940 2.639 73 HB2 HYP 11 1HB HYP 11 1.907 -7.511 1.752 74 HB3 HYP 11 2HB HYP 11 1.880 -6.759 3.353 75 HG HYP 11 HG HYP 11 2.053 -8.844 4.104 76 HD22 HYP 11 1HD HYP 11 0.041 -8.864 5.056 77 HD23 HYP 11 2HD HYP 11 -0.541 -9.822 3.685 78 HD1 HYP 11 HOD HYP 11 2.378 -9.716 1.977 79 H CYS 12 H CYS 12 1.011 -6.281 0.273 80 HA CYS 12 HA CYS 12 -0.702 -8.034 -1.425 81 HB2 CYS 12 2HB CYS 12 -1.738 -6.275 -2.536 82 HB3 CYS 12 1HB CYS 12 -1.566 -5.547 -0.942 83 H GLU 13 H GLU 13 0.080 -7.377 -3.913 84 HA GLU 13 HA GLU 13 2.953 -8.019 -3.969 85 HB2 GLU 13 2HB GLU 13 1.203 -9.056 -5.434 86 HB3 GLU 13 1HB GLU 13 0.943 -7.483 -6.192 87 HG2 GLU 13 2HG GLU 13 2.460 -8.481 -7.664 88 HG3 GLU 13 1HG GLU 13 3.537 -7.572 -6.606 89 H TYR 14 H TYR 14 0.880 -5.286 -4.990 90 HA TYR 14 HA TYR 14 3.327 -3.687 -5.611 91 HB2 TYR 14 2HB TYR 14 0.389 -3.178 -6.201 92 HB3 TYR 14 1HB TYR 14 1.745 -2.256 -6.845 93 HD1 TYR 14 HD2 TYR 14 3.697 -4.175 -7.687 94 HD2 TYR 14 HD1 TYR 14 -0.586 -4.445 -7.878 95 HE1 TYR 14 HE2 TYR 14 3.886 -5.769 -9.578 96 HE2 TYR 14 HE1 TYR 14 -0.398 -6.039 -9.775 97 HH TYR 14 HH TYR 14 1.605 -7.762 -10.538 98 H HIS 15 H HIS 15 1.077 -1.402 -5.165 99 HA HIS 15 HA HIS 15 1.305 -1.265 -2.199 100 HB2 HIS 15 2HB HIS 15 3.141 -0.089 -3.730 101 HB3 HIS 15 1HB HIS 15 1.902 1.161 -3.834 102 HD1 HIS 15 HD1 HIS 15 2.643 2.918 -2.250 103 HD2 HIS 15 HD2 HIS 15 2.938 -0.896 -0.590 104 HE1 HIS 15 HE1 HIS 15 3.321 3.243 0.161 105 H ALA 16 H ALA 16 -0.840 -1.236 -4.686 106 HA ALA 16 HA ALA 16 -2.474 0.984 -3.491 107 HB1 ALA 16 3HB ALA 16 -1.575 0.906 -5.968 108 HB2 ALA 16 1HB ALA 16 -3.221 1.454 -5.646 109 HB3 ALA 16 2HB ALA 16 -2.934 -0.192 -6.209 110 H ASP 17 H ASP 17 -2.282 -2.246 -3.186 111 HA ASP 17 HA ASP 17 -5.018 -3.075 -3.778 112 HB2 ASP 17 2HB ASP 17 -3.220 -4.681 -3.857 113 HB3 ASP 17 1HB ASP 17 -2.677 -4.236 -2.238 114 H CYS 18 H CYS 18 -3.263 -1.976 -0.885 115 HA CYS 18 HA CYS 18 -5.652 -2.401 0.834 116 HB2 CYS 18 2HB CYS 18 -2.756 -1.710 1.175 117 HB3 CYS 18 1HB CYS 18 -3.872 -1.229 2.451 118 H CYS 19 H CYS 19 -6.219 -0.474 2.307 119 HA CYS 19 HA CYS 19 -6.856 1.855 0.662 120 HB2 CYS 19 2HB CYS 19 -7.140 1.351 3.640 121 HB3 CYS 19 1HB CYS 19 -7.987 2.593 2.719 122 H ASN 20 H ASN 20 -3.905 1.175 1.532 123 HA ASN 20 HA ASN 20 -3.075 3.939 2.004 124 HB2 ASN 20 2HB ASN 20 -1.827 2.795 4.154 125 HB3 ASN 20 1HB ASN 20 -3.372 3.635 4.266 126 HD21 ASN 20 1HD2 ASN 20 -5.062 2.432 5.115 127 HD22 ASN 20 2HD2 ASN 20 -5.120 0.740 5.176 128 H CYS 21 H CYS 21 -1.278 1.134 3.152 129 HA CYS 21 HA CYS 21 0.447 1.140 0.684 130 HB2 CYS 21 2HB CYS 21 1.148 1.480 3.619 131 HB3 CYS 21 1HB CYS 21 2.345 0.943 2.446 132 H CYS 22 H CYS 22 0.651 -1.031 0.009 133 HA CYS 22 HA CYS 22 0.328 -3.128 2.134 134 HB2 CYS 22 2HB CYS 22 -0.588 -4.538 0.271 135 HB3 CYS 22 1HB CYS 22 -1.563 -3.116 0.618 136 H LEU 23 H LEU 23 2.740 -2.931 2.406 137 HA LEU 23 HA LEU 23 4.452 -3.686 0.145 138 HB2 LEU 23 2HB LEU 23 4.907 -3.499 3.144 139 HB3 LEU 23 1HB LEU 23 6.189 -3.746 1.959 140 HG LEU 23 HG LEU 23 4.858 -1.565 0.919 141 HD11 LEU 23 1HD1 LEU 23 3.787 -0.415 2.522 142 HD12 LEU 23 2HD1 LEU 23 5.185 -0.511 3.590 143 HD13 LEU 23 3HD1 LEU 23 3.989 -1.807 3.585 144 HD21 LEU 23 3HD2 LEU 23 6.795 -0.281 1.726 145 HD22 LEU 23 1HD2 LEU 23 7.310 -1.873 1.167 146 HD23 LEU 23 2HD2 LEU 23 7.164 -1.549 2.895 147 H SER 24 H SER 24 5.549 -5.718 -0.052 148 HA SER 24 HA SER 24 4.122 -8.072 0.192 149 HB2 SER 24 2HB SER 24 6.720 -8.917 0.562 150 HB3 SER 24 1HB SER 24 6.013 -8.488 -0.990 151 HG SER 24 HG SER 24 7.621 -7.092 -0.962 152 H GLY 25 H GLY 25 6.224 -6.690 2.690 153 HA2 GLY 25 2HA GLY 25 6.065 -8.874 4.524 154 HA3 GLY 25 1HA GLY 25 6.459 -7.213 4.963 155 H ILE 26 H ILE 26 4.164 -5.814 4.435 156 HA ILE 26 HA ILE 26 1.750 -7.160 5.361 157 HB ILE 26 HB ILE 26 3.763 -6.259 7.250 158 HG12 ILE 26 2HG1 ILE 26 1.059 -7.343 7.985 159 HG13 ILE 26 1HG1 ILE 26 2.217 -8.369 7.137 160 HG21 ILE 26 1HG2 ILE 26 1.006 -5.035 7.612 161 HG22 ILE 26 2HG2 ILE 26 2.485 -4.135 7.273 162 HG23 ILE 26 3HG2 ILE 26 2.312 -5.008 8.795 163 HD11 ILE 26 3HD1 ILE 26 3.001 -6.820 9.604 164 HD12 ILE 26 1HD1 ILE 26 3.803 -8.217 8.890 165 HD13 ILE 26 2HD1 ILE 26 2.259 -8.416 9.722 166 H CYS 27 H CYS 27 -0.073 -5.578 5.627 167 HA CYS 27 HA CYS 27 0.335 -3.199 3.915 168 HB2 CYS 27 2HB CYS 27 -1.892 -4.860 4.888 169 HB3 CYS 27 1HB CYS 27 -2.272 -3.137 4.826 170 H ALA 28 H ALA 28 0.279 -1.071 4.649 171 HA ALA 28 HA ALA 28 -0.180 -0.610 7.566 172 HB1 ALA 28 3HB ALA 28 2.084 -0.491 7.787 173 HB2 ALA 28 1HB ALA 28 2.002 0.986 6.828 174 HB3 ALA 28 2HB ALA 28 2.314 -0.559 6.035 175 HA HYP 29 HA HYP 29 -2.289 3.013 6.189 176 HB2 HYP 29 1HB HYP 29 -1.740 4.756 8.235 177 HB3 HYP 29 2HB HYP 29 -2.871 3.397 8.398 178 HG HYP 29 HG HYP 29 0.000 3.575 9.177 179 HD22 HYP 29 1HD HYP 29 -1.387 0.936 8.912 180 HD23 HYP 29 2HD HYP 29 0.349 1.321 8.833 181 HD1 HYP 29 HOD HYP 29 -0.908 2.422 11.027 182 H SER 30 H SER 30 -1.880 5.016 5.116 183 HA SER 30 HA SER 30 0.983 5.575 4.544 184 HB2 SER 30 2HB SER 30 -1.484 6.816 3.310 185 HB3 SER 30 1HB SER 30 0.118 6.679 2.600 186 HG SER 30 HG SER 30 -0.497 4.821 1.853 187 H THR 31 H THR 31 -1.078 6.630 6.895 188 HA THR 31 HA THR 31 -0.719 9.522 6.642 189 HB THR 31 HB THR 31 -1.573 7.749 8.966 190 HG1 THR 31 HG1 THR 31 -3.504 7.797 8.086 191 HG21 THR 31 3HG2 THR 31 -2.653 9.799 9.802 192 HG22 THR 31 1HG2 THR 31 -1.987 10.704 8.445 193 HG23 THR 31 2HG2 THR 31 -0.908 10.018 9.662 194 H ASN 32 H ASN 32 1.709 9.278 6.344 195 HA ASN 32 HA ASN 32 3.239 8.574 8.780 196 HB2 ASN 32 2HB ASN 32 4.106 9.566 6.037 197 HB3 ASN 32 1HB ASN 32 5.156 8.841 7.256 198 HD21 ASN 32 1HD2 ASN 32 3.903 6.588 8.098 199 HD22 ASN 32 2HD2 ASN 32 3.517 5.559 6.805 200 H TRP 33 H TRP 33 5.309 10.335 8.738 201 HA TRP 33 HA TRP 33 4.117 13.073 8.988 202 HB2 TRP 33 2HB TRP 33 5.836 13.021 11.095 203 HB3 TRP 33 1HB TRP 33 4.138 12.598 11.245 204 HD1 TRP 33 HD1 TRP 33 3.652 9.843 10.805 205 HE1 TRP 33 HE1 TRP 33 4.991 7.848 11.761 206 HE3 TRP 33 HE3 TRP 33 8.035 12.191 11.947 207 HZ2 TRP 33 HZ2 TRP 33 7.574 7.329 12.863 208 HZ3 TRP 33 HZ3 TRP 33 9.916 10.929 12.946 209 HH2 TRP 33 HH2 TRP 33 9.693 8.501 13.408 210 H ILE 34 H ILE 34 7.255 11.445 9.532 211 HA ILE 34 HA ILE 34 8.580 13.578 7.920 212 HB ILE 34 HB ILE 34 9.550 11.481 9.888 213 HG12 ILE 34 2HG1 ILE 34 9.583 14.515 9.952 214 HG13 ILE 34 1HG1 ILE 34 8.420 13.501 10.804 215 HG21 ILE 34 1HG2 ILE 34 11.292 11.703 8.218 216 HG22 ILE 34 2HG2 ILE 34 11.788 12.635 9.632 217 HG23 ILE 34 3HG2 ILE 34 11.132 13.458 8.217 218 HD11 ILE 34 3HD1 ILE 34 11.185 14.149 11.504 219 HD12 ILE 34 1HD1 ILE 34 10.860 12.417 11.546 220 HD13 ILE 34 2HD1 ILE 34 9.888 13.520 12.522 221 H LEU 35 H LEU 35 8.104 10.109 8.124 222 HA LEU 35 HA LEU 35 9.831 9.281 5.986 223 HB2 LEU 35 2HB LEU 35 7.269 8.147 7.161 224 HB3 LEU 35 1HB LEU 35 8.307 7.263 6.042 225 HG LEU 35 HG LEU 35 9.899 8.383 8.182 226 HD11 LEU 35 1HD1 LEU 35 8.010 8.298 9.627 227 HD12 LEU 35 2HD1 LEU 35 8.920 6.824 9.958 228 HD13 LEU 35 3HD1 LEU 35 7.471 6.758 8.954 229 HD21 LEU 35 3HD2 LEU 35 10.358 5.882 8.498 230 HD22 LEU 35 1HD2 LEU 35 10.712 6.543 6.903 231 HD23 LEU 35 2HD2 LEU 35 9.234 5.615 7.164 232 HA PRO 36 HA PRO 36 7.414 10.989 2.655 233 HB2 PRO 36 2HB PRO 36 8.843 9.887 0.596 234 HB3 PRO 36 1HB PRO 36 9.410 11.288 1.525 235 HG2 PRO 36 2HG PRO 36 10.199 8.427 1.736 236 HG3 PRO 36 1HG PRO 36 11.191 9.885 1.900 237 HD2 PRO 36 2HD PRO 36 10.280 8.404 4.017 238 HD3 PRO 36 1HD PRO 36 10.678 10.134 4.117 239 H GLY 37 H GLY 37 5.869 9.146 3.705 240 HA2 GLY 37 2HA GLY 37 4.152 7.652 3.070 241 HA3 GLY 37 1HA GLY 37 4.818 7.646 1.438 242 H CYS 38 H CYS 38 4.678 5.350 1.268 243 HA CYS 38 HA CYS 38 6.556 3.832 3.060 244 HB2 CYS 38 2HB CYS 38 4.439 2.503 1.430 245 HB3 CYS 38 1HB CYS 38 5.042 2.083 3.026 246 H SER 39 H SER 39 7.862 5.042 1.050 247 HA SER 39 HA SER 39 7.859 3.806 -1.531 248 HB2 SER 39 2HB SER 39 10.400 4.701 -1.267 249 HB3 SER 39 1HB SER 39 9.044 5.792 -1.513 250 HG SER 39 HG SER 39 10.581 5.306 0.752 251 H THR 40 H THR 40 8.593 1.777 -2.123 252 HA THR 40 HA THR 40 10.488 0.372 -0.272 253 HB THR 40 HB THR 40 8.066 -0.358 -0.228 254 HG1 THR 40 HG1 THR 40 9.896 -2.264 -1.264 255 HG21 THR 40 3HG2 THR 40 8.703 -1.069 -3.099 256 HG22 THR 40 1HG2 THR 40 7.394 -0.046 -2.505 257 HG23 THR 40 2HG2 THR 40 7.365 -1.782 -2.202 258 H SER 41 H SER 41 10.835 1.963 -2.921 259 HA SER 41 HA SER 41 11.566 -0.007 -4.933 260 HB2 SER 41 2HB SER 41 12.818 2.643 -5.089 261 HB3 SER 41 1HB SER 41 11.698 1.875 -6.210 262 HG SER 41 HG SER 41 10.667 3.633 -5.313 263 H SER 42 H SER 42 12.874 -1.193 -3.052 264 HA SER 42 HA SER 42 15.661 -0.100 -2.906 265 HB2 SER 42 2HB SER 42 14.007 -0.833 -0.925 266 HB3 SER 42 1HB SER 42 14.688 -2.415 -1.289 267 HG SER 42 HG SER 42 16.249 -1.722 -0.043 268 H PHE 43 H PHE 43 17.329 -1.303 -3.827 269 HA PHE 43 HA PHE 43 16.628 -3.510 -5.602 270 HB2 PHE 43 2HB PHE 43 18.621 -1.560 -5.426 271 HB3 PHE 43 1HB PHE 43 19.481 -3.059 -5.073 272 HD1 PHE 43 HD1 PHE 43 16.649 -2.115 -7.369 273 HD2 PHE 43 HD2 PHE 43 20.519 -3.934 -6.957 274 HE1 PHE 43 HE1 PHE 43 16.626 -2.707 -9.777 275 HE2 PHE 43 HE2 PHE 43 20.494 -4.526 -9.366 276 HZ PHE 43 HZ PHE 43 18.549 -3.909 -10.775 277 H PHE 44 H PHE 44 15.798 -4.986 -3.952 278 HA PHE 44 HA PHE 44 17.330 -6.001 -1.771 279 HB2 PHE 44 2HB PHE 44 15.520 -7.499 -1.547 280 HB3 PHE 44 1HB PHE 44 14.796 -6.130 -2.379 281 HD1 PHE 44 HD2 PHE 44 15.373 -6.349 -5.137 282 HD2 PHE 44 HD1 PHE 44 14.752 -9.536 -2.325 283 HE1 PHE 44 HE2 PHE 44 14.699 -7.850 -6.988 284 HE2 PHE 44 HE1 PHE 44 14.076 -11.038 -4.179 285 HZ PHE 44 HZ PHE 44 14.049 -10.193 -6.510 286 H LYS 45 H LYS 45 17.889 -8.473 -1.725 287 HA LYS 45 HA LYS 45 19.608 -9.052 -4.111 288 HB2 LYS 45 2HB LYS 45 21.163 -9.883 -2.599 289 HB3 LYS 45 1HB LYS 45 20.350 -8.714 -1.557 290 HG2 LYS 45 2HG LYS 45 18.882 -10.477 -0.680 291 HG3 LYS 45 1HG LYS 45 19.620 -11.657 -1.764 292 HD2 LYS 45 2HD LYS 45 21.686 -11.596 -0.613 293 HD3 LYS 45 1HD LYS 45 21.263 -10.112 0.244 294 HE2 LYS 45 2HE LYS 45 21.088 -12.282 1.608 295 HE3 LYS 45 1HE LYS 45 19.645 -11.251 1.604 296 HZ1 LYS 45 3HZ LYS 45 18.562 -12.617 0.093 297 HZ2 LYS 45 1HZ LYS 45 19.389 -13.753 1.035 298 HZ3 LYS 45 2HZ LYS 45 19.994 -13.319 -0.492 299 H ILE 46 H ILE 46 20.109 -11.681 -3.808 300 HA ILE 46 HA ILE 46 17.525 -12.989 -4.438 301 HB ILE 46 HB ILE 46 20.417 -13.915 -4.573 302 HG12 ILE 46 2HG1 ILE 46 18.727 -13.019 -6.913 303 HG13 ILE 46 1HG1 ILE 46 19.675 -11.859 -5.985 304 HG21 ILE 46 1HG2 ILE 46 18.388 -15.590 -4.593 305 HG22 ILE 46 2HG2 ILE 46 19.673 -15.771 -5.786 306 HG23 ILE 46 3HG2 ILE 46 18.154 -14.996 -6.237 307 HD11 ILE 46 3HD1 ILE 46 20.780 -12.955 -8.065 308 HD12 ILE 46 1HD1 ILE 46 20.943 -14.379 -7.035 309 HD13 ILE 46 2HD1 ILE 46 21.717 -12.864 -6.573
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