NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
600261 | 2n9z | 25922 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASP 1 HA ASP 1 -10.616 3.032 6.040 2 HB2 ASP 1 1HB ASP 1 -12.739 1.172 5.399 3 HB3 ASP 1 2HB ASP 1 -11.168 0.405 5.178 4 H CYS 2 H CYS 2 -8.576 2.434 5.400 5 HA CYS 2 HA CYS 2 -8.099 1.379 2.736 6 HB2 CYS 2 2HB CYS 2 -6.679 3.199 2.007 7 HB3 CYS 2 1HB CYS 2 -8.283 3.834 2.363 8 H ALA 3 H ALA 3 -5.711 1.052 2.368 9 HA ALA 3 HA ALA 3 -4.516 0.110 4.873 10 HB1 ALA 3 3HB ALA 3 -4.545 -0.803 2.153 11 HB2 ALA 3 1HB ALA 3 -3.910 -1.615 3.582 12 HB3 ALA 3 2HB ALA 3 -2.877 -0.531 2.653 13 H LYS 4 H LYS 4 -3.266 1.514 5.910 14 HA LYS 4 HA LYS 4 -1.980 3.747 4.646 15 HB2 LYS 4 1HB LYS 4 -1.755 2.573 7.426 16 HB3 LYS 4 2HB LYS 4 -0.944 4.054 6.915 17 HG2 LYS 4 1HG LYS 4 -3.124 5.055 6.342 18 HG3 LYS 4 2HG LYS 4 -3.937 3.575 6.853 19 HD2 LYS 4 1HD LYS 4 -3.073 3.861 9.133 20 HD3 LYS 4 2HD LYS 4 -2.208 5.317 8.634 21 HE2 LYS 4 1HE LYS 4 -4.326 5.922 9.718 22 HE3 LYS 4 2HE LYS 4 -4.364 6.369 8.012 23 HZ1 LYS 4 3HZ LYS 4 -5.420 3.790 9.013 24 HZ2 LYS 4 1HZ LYS 4 -5.675 4.503 7.496 25 HZ3 LYS 4 2HZ LYS 4 -6.382 5.185 8.882 26 H GLU 5 H GLU 5 0.491 4.031 5.476 27 HA GLU 5 HA GLU 5 2.043 2.388 3.839 28 HB2 GLU 5 1HB GLU 5 2.724 4.637 4.608 29 HB3 GLU 5 2HB GLU 5 2.956 3.992 6.234 30 HG2 GLU 5 1HG GLU 5 4.670 2.454 5.414 31 HG3 GLU 5 2HG GLU 5 4.397 2.997 3.759 32 H GLY 6 H GLY 6 2.887 0.431 4.066 33 HA2 GLY 6 1HA GLY 6 3.916 -1.368 5.136 34 HA3 GLY 6 2HA GLY 6 3.518 -0.666 6.686 35 H GLU 7 H GLU 7 0.716 -0.437 5.032 36 HA GLU 7 HA GLU 7 -0.379 -2.779 6.379 37 HB2 GLU 7 1HB GLU 7 -1.761 -0.671 4.707 38 HB3 GLU 7 2HB GLU 7 -2.556 -1.894 5.695 39 HG2 GLU 7 1HG GLU 7 -0.630 0.185 6.766 40 HG3 GLU 7 2HG GLU 7 -2.383 0.309 6.854 41 H VAL 8 H VAL 8 -1.613 -4.414 5.330 42 HA VAL 8 HA VAL 8 -0.422 -5.333 2.928 43 HB VAL 8 HB VAL 8 -2.891 -6.311 4.358 44 HG11 VAL 8 1HG1 VAL 8 -2.350 -8.436 3.107 45 HG12 VAL 8 2HG1 VAL 8 -1.186 -7.516 2.160 46 HG13 VAL 8 3HG1 VAL 8 -2.902 -7.121 2.075 47 HG21 VAL 8 3HG2 VAL 8 -0.054 -7.380 4.398 48 HG22 VAL 8 1HG2 VAL 8 -1.409 -7.921 5.391 49 HG23 VAL 8 2HG2 VAL 8 -0.714 -6.319 5.644 50 H CYS 9 H CYS 9 -0.925 -4.969 0.856 51 HA CYS 9 HA CYS 9 -3.553 -3.671 0.329 52 HB2 CYS 9 2HB CYS 9 -2.388 -2.825 -1.765 53 HB3 CYS 9 1HB CYS 9 -1.844 -2.126 -0.243 54 H SER 10 H SER 10 -3.758 -3.937 -2.333 55 HA SER 10 HA SER 10 -4.371 -5.360 -4.026 56 HB2 SER 10 1HB SER 10 -2.002 -6.128 -3.861 57 HB3 SER 10 2HB SER 10 -2.511 -7.371 -2.731 58 HG SER 10 HG SER 10 -3.216 -8.490 -4.349 59 H TRP 11 H TRP 11 -3.960 -8.375 -2.673 60 HA TRP 11 HA TRP 11 -6.649 -9.066 -2.686 61 HB2 TRP 11 2HB TRP 11 -6.008 -11.092 -1.617 62 HB3 TRP 11 1HB TRP 11 -4.624 -10.613 -2.599 63 HD1 TRP 11 1HD TRP 11 -2.482 -9.620 -1.326 64 HE1 TRP 11 1HE TRP 11 -1.703 -9.847 1.123 65 HE3 TRP 11 3HE TRP 11 -6.796 -11.297 0.811 66 HZ2 TRP 11 2HZ TRP 11 -2.779 -10.650 3.661 67 HZ3 TRP 11 3HZ TRP 11 -6.898 -11.788 3.238 68 HH2 TRP 11 2HH TRP 11 -4.896 -11.465 4.664 69 H GLY 12 H GLY 12 -4.715 -7.555 -0.195 70 HA2 GLY 12 1HA GLY 12 -6.641 -7.942 1.921 71 HA3 GLY 12 2HA GLY 12 -5.225 -6.894 1.973 72 H LYS 13 H LYS 13 -5.356 -4.766 1.085 73 HA LYS 13 HA LYS 13 -8.074 -3.826 0.416 74 HB2 LYS 13 1HB LYS 13 -6.683 -3.294 2.867 75 HB3 LYS 13 2HB LYS 13 -6.827 -1.797 1.953 76 HG2 LYS 13 1HG LYS 13 -8.803 -2.077 3.369 77 HG3 LYS 13 2HG LYS 13 -9.267 -2.226 1.675 78 HD2 LYS 13 1HD LYS 13 -9.791 -4.445 1.875 79 HD3 LYS 13 2HD LYS 13 -8.493 -4.756 3.029 80 HE2 LYS 13 1HE LYS 13 -10.733 -4.963 4.085 81 HE3 LYS 13 2HE LYS 13 -9.786 -3.666 4.812 82 HZ1 LYS 13 3HZ LYS 13 -12.271 -3.515 3.466 83 HZ2 LYS 13 1HZ LYS 13 -11.129 -2.543 2.674 84 HZ3 LYS 13 2HZ LYS 13 -11.445 -2.305 4.326 85 H LYS 14 H LYS 14 -7.645 -1.185 0.097 86 HA LYS 14 HA LYS 14 -5.611 -1.059 -2.037 87 HB2 LYS 14 1HB LYS 14 -7.037 0.946 -2.758 88 HB3 LYS 14 2HB LYS 14 -7.735 -0.651 -3.003 89 HG2 LYS 14 1HG LYS 14 -9.011 -0.430 -0.916 90 HG3 LYS 14 2HG LYS 14 -8.290 1.152 -0.625 91 HD2 LYS 14 1HD LYS 14 -9.333 2.063 -2.615 92 HD3 LYS 14 2HD LYS 14 -9.926 0.467 -3.081 93 HE2 LYS 14 1HE LYS 14 -11.720 1.784 -2.021 94 HE3 LYS 14 2HE LYS 14 -11.306 0.383 -1.030 95 HZ1 LYS 14 3HZ LYS 14 -9.650 2.554 -0.340 96 HZ2 LYS 14 1HZ LYS 14 -10.764 1.721 0.629 97 HZ3 LYS 14 2HZ LYS 14 -11.272 3.059 -0.287 98 H CYS 15 H CYS 15 -3.916 0.136 -1.704 99 HA CYS 15 HA CYS 15 -3.312 1.437 0.659 100 HB2 CYS 15 2HB CYS 15 -1.909 0.795 -1.514 101 HB3 CYS 15 1HB CYS 15 -2.175 2.498 -1.868 102 H CYS 16 H CYS 16 -3.878 3.347 1.529 103 HA CYS 16 HA CYS 16 -5.953 4.915 0.665 104 HB2 CYS 16 2HB CYS 16 -4.077 5.000 2.751 105 HB3 CYS 16 1HB CYS 16 -3.995 6.577 1.972 106 H ASP 17 H ASP 17 -2.517 5.649 0.179 107 HA ASP 17 HA ASP 17 -3.300 7.410 -2.070 108 HB2 ASP 17 1HB ASP 17 -1.001 7.569 -0.127 109 HB3 ASP 17 2HB ASP 17 -1.025 8.474 -1.640 110 H LEU 18 H LEU 18 -3.279 5.699 -3.583 111 HA LEU 18 HA LEU 18 -1.062 3.952 -3.943 112 HB2 LEU 18 1HB LEU 18 -3.355 4.772 -5.737 113 HB3 LEU 18 2HB LEU 18 -2.154 3.571 -6.208 114 HG LEU 18 HG LEU 18 -3.568 3.296 -3.570 115 HD11 LEU 18 1HD1 LEU 18 -5.300 1.926 -4.693 116 HD12 LEU 18 2HD1 LEU 18 -4.624 2.383 -6.261 117 HD13 LEU 18 3HD1 LEU 18 -5.357 3.608 -5.224 118 HD21 LEU 18 3HD2 LEU 18 -3.233 0.868 -4.102 119 HD22 LEU 18 1HD2 LEU 18 -1.714 1.758 -4.025 120 HD23 LEU 18 2HD2 LEU 18 -2.411 1.342 -5.588 121 H ASP 19 H ASP 19 -1.590 7.232 -4.731 122 HA ASP 19 HA ASP 19 0.123 7.363 -7.030 123 HB2 ASP 19 1HB ASP 19 -1.694 9.021 -6.435 124 HB3 ASP 19 2HB ASP 19 -0.623 9.622 -5.171 125 H ASN 20 H ASN 20 0.521 8.024 -3.560 126 HA ASN 20 HA ASN 20 3.370 8.577 -3.982 127 HB2 ASN 20 1HB ASN 20 1.662 8.747 -1.498 128 HB3 ASN 20 2HB ASN 20 3.356 9.194 -1.588 129 HD21 ASN 20 1HD2 ASN 20 0.765 11.989 -2.335 130 HD22 ASN 20 2HD2 ASN 20 0.601 10.686 -1.270 131 H PHE 21 H PHE 21 1.313 6.002 -3.191 132 HA PHE 21 HA PHE 21 3.609 4.428 -2.210 133 HB2 PHE 21 2HB PHE 21 0.748 4.268 -1.242 134 HB3 PHE 21 1HB PHE 21 2.030 3.153 -0.787 135 HD1 PHE 21 1HD PHE 21 1.097 6.760 -0.749 136 HD2 PHE 21 2HD PHE 21 3.529 3.674 0.964 137 HE1 PHE 21 1HE PHE 21 1.795 8.316 1.042 138 HE2 PHE 21 2HE PHE 21 4.233 5.225 2.759 139 HZ PHE 21 HZ PHE 21 3.368 7.550 2.798 140 H TYR 22 H TYR 22 3.573 2.184 -2.763 141 HA TYR 22 HA TYR 22 1.708 1.494 -4.954 142 HB2 TYR 22 2HB TYR 22 3.483 0.520 -6.217 143 HB3 TYR 22 1HB TYR 22 4.050 2.111 -5.730 144 HD1 TYR 22 1HD TYR 22 4.319 -1.520 -5.077 145 HD2 TYR 22 2HD TYR 22 5.826 2.400 -4.176 146 HE1 TYR 22 1HE TYR 22 6.309 -2.502 -4.100 147 HE2 TYR 22 2HE TYR 22 7.805 1.399 -3.167 148 HH TYR 22 HH TYR 22 8.017 -1.708 -2.223 149 H CYS 23 H CYS 23 1.452 -0.822 -5.267 150 HA CYS 23 HA CYS 23 1.622 -2.235 -2.710 151 HB2 CYS 23 2HB CYS 23 -0.603 -1.979 -3.779 152 HB3 CYS 23 1HB CYS 23 -0.027 -2.983 -5.107 153 HA PRO 24 HA PRO 24 5.116 -4.397 -4.778 154 HB2 PRO 24 2HB PRO 24 4.850 -6.102 -2.350 155 HB3 PRO 24 1HB PRO 24 6.284 -5.318 -3.024 156 HG2 PRO 24 2HG PRO 24 5.096 -4.386 -0.850 157 HG3 PRO 24 1HG PRO 24 5.832 -3.315 -2.030 158 HD2 PRO 24 2HD PRO 24 2.947 -3.857 -1.524 159 HD3 PRO 24 1HD PRO 24 3.750 -2.382 -2.077 160 H MET 25 H MET 25 5.541 -6.666 -5.415 161 HA MET 25 HA MET 25 3.010 -8.155 -5.818 162 HB2 MET 25 1HB MET 25 4.081 -7.306 -7.891 163 HB3 MET 25 2HB MET 25 5.531 -8.226 -7.491 164 HG2 MET 25 1HG MET 25 4.254 -10.319 -7.565 165 HG3 MET 25 2HG MET 25 2.774 -9.421 -7.887 166 HE1 MET 25 3HE MET 25 6.327 -10.242 -10.619 167 HE2 MET 25 1HE MET 25 6.165 -10.499 -8.877 168 HE3 MET 25 2HE MET 25 6.523 -8.893 -9.504 169 H GLU 26 H GLU 26 3.175 -9.321 -3.859 170 HA GLU 26 HA GLU 26 4.893 -11.643 -4.031 171 HB2 GLU 26 1HB GLU 26 5.916 -9.519 -2.638 172 HB3 GLU 26 2HB GLU 26 5.073 -10.405 -1.367 173 HG2 GLU 26 1HG GLU 26 6.238 -12.490 -2.103 174 HG3 GLU 26 2HG GLU 26 7.146 -11.530 -3.270 175 H PHE 27 H PHE 27 4.544 -12.674 -1.542 176 HA PHE 27 HA PHE 27 1.917 -13.679 -1.626 177 HB2 PHE 27 2HB PHE 27 3.877 -14.840 -0.588 178 HB3 PHE 27 1HB PHE 27 3.794 -13.693 0.749 179 HD1 PHE 27 1HD PHE 27 1.729 -16.152 -1.157 180 HD2 PHE 27 2HD PHE 27 2.334 -14.100 2.568 181 HE1 PHE 27 1HE PHE 27 -0.037 -17.539 -0.108 182 HE2 PHE 27 2HE PHE 27 0.565 -15.487 3.619 183 HZ PHE 27 HZ PHE 27 -0.620 -17.207 2.279 184 H ILE 28 H ILE 28 3.425 -11.281 0.528 185 HA ILE 28 HA ILE 28 0.735 -10.257 1.156 186 HB ILE 28 HB ILE 28 1.676 -9.815 3.496 187 HG12 ILE 28 1HG1 ILE 28 3.526 -12.081 2.698 188 HG13 ILE 28 2HG1 ILE 28 4.046 -10.400 2.777 189 HG21 ILE 28 1HG2 ILE 28 1.372 -12.460 3.941 190 HG22 ILE 28 2HG2 ILE 28 0.735 -12.363 2.300 191 HG23 ILE 28 3HG2 ILE 28 0.016 -11.390 3.583 192 HD11 ILE 28 3HD1 ILE 28 3.078 -12.156 5.038 193 HD12 ILE 28 1HD1 ILE 28 3.152 -10.401 5.188 194 HD13 ILE 28 2HD1 ILE 28 4.624 -11.322 4.891 195 HA PRO 29 HA PRO 29 3.618 -6.922 -0.409 196 HB2 PRO 29 2HB PRO 29 0.953 -5.969 -1.324 197 HB3 PRO 29 1HB PRO 29 2.491 -6.022 -2.200 198 HG2 PRO 29 2HG PRO 29 0.545 -7.737 -2.730 199 HG3 PRO 29 1HG PRO 29 2.239 -8.269 -2.726 200 HD2 PRO 29 2HD PRO 29 0.114 -8.699 -0.642 201 HD3 PRO 29 1HD PRO 29 1.398 -9.807 -1.184 202 H HIS 30 H HIS 30 3.903 -4.886 0.496 203 HA HIS 30 HA HIS 30 1.781 -3.941 2.328 204 HB2 HIS 30 1HB HIS 30 4.747 -3.923 2.907 205 HB3 HIS 30 2HB HIS 30 3.491 -3.231 3.918 206 HD1 HIS 30 HD1 HIS 30 5.066 -6.479 3.019 207 HD2 HIS 30 HD2 HIS 30 1.732 -5.145 5.137 208 HE1 HIS 30 HE1 HIS 30 4.228 -8.462 4.360 209 H CYS 31 H CYS 31 1.322 -1.808 2.247 210 HA CYS 31 HA CYS 31 1.929 -0.243 0.064 211 HB2 CYS 31 2HB CYS 31 1.103 0.443 2.867 212 HB3 CYS 31 1HB CYS 31 1.450 1.717 1.709 213 H LYS 32 H LYS 32 3.696 0.759 -0.637 214 HA LYS 32 HA LYS 32 5.743 1.558 1.332 215 HB2 LYS 32 1HB LYS 32 6.501 -0.519 0.300 216 HB3 LYS 32 2HB LYS 32 6.215 0.146 -1.287 217 HG2 LYS 32 1HG LYS 32 8.609 0.251 -0.738 218 HG3 LYS 32 2HG LYS 32 7.955 1.875 -0.881 219 HD2 LYS 32 1HD LYS 32 7.881 2.161 1.494 220 HD3 LYS 32 2HD LYS 32 8.176 0.441 1.774 221 HE2 LYS 32 1HE LYS 32 10.430 0.693 0.786 222 HE3 LYS 32 2HE LYS 32 10.120 2.410 0.522 223 HZ1 LYS 32 3HZ LYS 32 10.892 2.719 2.567 224 HZ2 LYS 32 1HZ LYS 32 10.882 1.058 2.914 225 HZ3 LYS 32 2HZ LYS 32 9.474 1.980 3.141 226 H LYS 33 H LYS 33 6.555 3.544 1.047 227 HA LYS 33 HA LYS 33 5.392 5.274 -0.920 228 HB2 LYS 33 1HB LYS 33 6.055 5.925 1.430 229 HB3 LYS 33 2HB LYS 33 7.728 5.886 0.887 230 HG2 LYS 33 1HG LYS 33 7.211 7.527 -0.874 231 HG3 LYS 33 2HG LYS 33 5.536 7.583 -0.334 232 HD2 LYS 33 1HD LYS 33 7.813 8.178 1.555 233 HD3 LYS 33 2HD LYS 33 7.132 9.432 0.522 234 HE2 LYS 33 1HE LYS 33 4.855 8.858 1.484 235 HE3 LYS 33 2HE LYS 33 5.684 7.819 2.644 236 HZ1 LYS 33 3HZ LYS 33 5.934 9.631 3.878 237 HZ2 LYS 33 1HZ LYS 33 5.437 10.659 2.626 238 HZ3 LYS 33 2HZ LYS 33 7.061 10.177 2.731 239 H TYR 34 H TYR 34 6.213 6.015 -2.774 240 HA TYR 34 HA TYR 34 8.994 5.743 -3.465 241 HB2 TYR 34 2HB TYR 34 8.726 4.311 -5.299 242 HB3 TYR 34 1HB TYR 34 7.834 3.559 -3.993 243 HD1 TYR 34 1HD TYR 34 7.585 3.486 -7.181 244 HD2 TYR 34 2HD TYR 34 5.324 5.351 -4.040 245 HE1 TYR 34 1HE TYR 34 5.579 3.533 -8.626 246 HE2 TYR 34 2HE TYR 34 3.344 5.394 -5.473 247 HH TYR 34 HH TYR 34 3.283 5.301 -8.510 248 H LYS 35 H LYS 35 9.488 6.805 -5.464 249 HA LYS 35 HA LYS 35 7.445 8.509 -6.655 250 HB2 LYS 35 1HB LYS 35 8.874 10.554 -6.268 251 HB3 LYS 35 2HB LYS 35 8.064 9.925 -4.835 252 HG2 LYS 35 1HG LYS 35 10.819 8.930 -5.467 253 HG3 LYS 35 2HG LYS 35 10.653 10.550 -4.792 254 HD2 LYS 35 1HD LYS 35 9.307 9.564 -2.912 255 HD3 LYS 35 2HD LYS 35 9.669 7.955 -3.540 256 HE2 LYS 35 1HE LYS 35 12.072 8.380 -3.297 257 HE3 LYS 35 2HE LYS 35 11.732 10.002 -2.686 258 HZ1 LYS 35 3HZ LYS 35 10.744 9.151 -0.774 259 HZ2 LYS 35 1HZ LYS 35 12.109 8.170 -0.989 260 HZ3 LYS 35 2HZ LYS 35 10.572 7.594 -1.429 261 HA PRO 36 HA PRO 36 11.073 7.098 -9.334 262 HB2 PRO 36 2HB PRO 36 9.582 5.617 -11.095 263 HB3 PRO 36 1HB PRO 36 10.319 4.944 -9.628 264 HG2 PRO 36 2HG PRO 36 7.508 5.818 -10.102 265 HG3 PRO 36 1HG PRO 36 8.117 4.395 -9.242 266 HD2 PRO 36 2HD PRO 36 7.248 6.611 -7.925 267 HD3 PRO 36 1HD PRO 36 8.563 5.598 -7.285 268 H TYR 37 H TYR 37 11.589 8.010 -11.338 269 HA TYR 37 HA TYR 37 9.486 9.496 -12.752 270 HB2 TYR 37 2HB TYR 37 11.055 11.443 -12.934 271 HB3 TYR 37 1HB TYR 37 10.476 11.144 -11.294 272 HD1 TYR 37 1HD TYR 37 13.371 10.965 -13.565 273 HD2 TYR 37 2HD TYR 37 11.946 10.191 -9.587 274 HE1 TYR 37 1HE TYR 37 15.708 10.693 -12.779 275 HE2 TYR 37 2HE TYR 37 14.280 9.919 -8.802 276 HH TYR 37 HH TYR 37 16.618 9.201 -10.197 277 H VAL 38 H VAL 38 12.157 7.480 -12.801 278 HA VAL 38 HA VAL 38 12.325 7.711 -15.729 279 HB VAL 38 HB VAL 38 14.243 8.954 -14.853 280 HG11 VAL 38 1HG1 VAL 38 15.568 6.596 -13.696 281 HG12 VAL 38 2HG1 VAL 38 14.161 7.136 -12.780 282 HG13 VAL 38 3HG1 VAL 38 15.491 8.251 -13.093 283 HG21 VAL 38 3HG2 VAL 38 14.299 6.956 -16.736 284 HG22 VAL 38 1HG2 VAL 38 15.607 6.463 -15.660 285 HG23 VAL 38 2HG2 VAL 38 15.638 8.057 -16.415 286 HA PRO 39 HA PRO 39 11.642 3.362 -14.115 287 HB2 PRO 39 2HB PRO 39 10.020 3.347 -16.616 288 HB3 PRO 39 1HB PRO 39 9.609 2.742 -15.000 289 HG2 PRO 39 2HG PRO 39 8.532 4.977 -15.928 290 HG3 PRO 39 1HG PRO 39 9.010 4.831 -14.225 291 HD2 PRO 39 2HD PRO 39 10.418 6.271 -16.460 292 HD3 PRO 39 1HD PRO 39 10.223 6.749 -14.757 293 H VAL 40 H VAL 40 12.676 1.528 -14.857 294 HA VAL 40 HA VAL 40 13.920 1.642 -17.537 295 HB VAL 40 HB VAL 40 15.963 0.642 -16.577 296 HG11 VAL 40 1HG1 VAL 40 16.826 2.667 -15.624 297 HG12 VAL 40 2HG1 VAL 40 15.224 3.170 -15.085 298 HG13 VAL 40 3HG1 VAL 40 15.610 3.152 -16.806 299 HG21 VAL 40 3HG2 VAL 40 14.230 0.552 -14.200 300 HG22 VAL 40 1HG2 VAL 40 15.836 1.203 -13.876 301 HG23 VAL 40 2HG2 VAL 40 15.661 -0.404 -14.582 302 H THR 41 H THR 41 14.470 -0.440 -18.426 303 HA THR 41 HA THR 41 12.439 -2.366 -18.137 304 HB THR 41 HB THR 41 13.623 -2.277 -20.204 305 HG1 THR 41 1HG THR 41 14.870 -4.540 -19.633 306 HG21 THR 41 3HG2 THR 41 16.047 -2.534 -18.440 307 HG22 THR 41 1HG2 THR 41 15.711 -1.336 -19.690 308 HG23 THR 41 2HG2 THR 41 16.125 -2.990 -20.143 309 H THR 42 H THR 42 12.368 -4.357 -17.133 310 HA THR 42 HA THR 42 14.551 -5.521 -15.729 311 HB THR 42 HB THR 42 14.042 -3.528 -14.264 312 HG1 THR 42 1HG THR 42 14.753 -5.816 -13.633 313 HG21 THR 42 3HG2 THR 42 11.445 -4.089 -14.752 314 HG22 THR 42 1HG2 THR 42 11.982 -3.213 -13.319 315 HG23 THR 42 2HG2 THR 42 11.649 -4.941 -13.221 Start of MODEL 2 1 HA ASP 1 HA ASP 1 -10.968 4.633 5.476 2 HB2 ASP 1 1HB ASP 1 -10.084 2.957 7.029 3 HB3 ASP 1 2HB ASP 1 -11.798 3.217 7.338 4 H CYS 2 H CYS 2 -8.695 3.329 5.524 5 HA CYS 2 HA CYS 2 -8.314 1.602 3.236 6 HB2 CYS 2 2HB CYS 2 -6.689 3.140 2.145 7 HB3 CYS 2 1HB CYS 2 -8.349 3.714 2.063 8 H ALA 3 H ALA 3 -5.951 1.106 2.923 9 HA ALA 3 HA ALA 3 -4.740 0.761 5.564 10 HB1 ALA 3 3HB ALA 3 -3.205 -0.437 3.468 11 HB2 ALA 3 1HB ALA 3 -4.909 -0.800 3.196 12 HB3 ALA 3 2HB ALA 3 -4.154 -1.224 4.730 13 H LYS 4 H LYS 4 -3.038 1.906 6.247 14 HA LYS 4 HA LYS 4 -1.890 3.918 4.483 15 HB2 LYS 4 1HB LYS 4 -1.341 3.329 7.404 16 HB3 LYS 4 2HB LYS 4 -0.745 4.721 6.503 17 HG2 LYS 4 1HG LYS 4 -3.064 5.434 6.058 18 HG3 LYS 4 2HG LYS 4 -3.664 4.046 6.968 19 HD2 LYS 4 1HD LYS 4 -2.463 4.868 8.981 20 HD3 LYS 4 2HD LYS 4 -1.942 6.286 8.069 21 HE2 LYS 4 1HE LYS 4 -4.830 5.501 8.556 22 HE3 LYS 4 2HE LYS 4 -3.961 6.758 9.436 23 HZ1 LYS 4 3HZ LYS 4 -3.490 7.697 7.114 24 HZ2 LYS 4 1HZ LYS 4 -5.040 7.918 7.770 25 HZ3 LYS 4 2HZ LYS 4 -4.777 6.711 6.604 26 H GLU 5 H GLU 5 0.687 4.097 5.597 27 HA GLU 5 HA GLU 5 2.154 2.403 3.927 28 HB2 GLU 5 1HB GLU 5 3.003 4.528 4.906 29 HB3 GLU 5 2HB GLU 5 3.125 3.726 6.471 30 HG2 GLU 5 1HG GLU 5 4.651 2.027 5.404 31 HG3 GLU 5 2HG GLU 5 4.614 2.998 3.934 32 H GLY 6 H GLY 6 2.803 0.372 4.084 33 HA2 GLY 6 1HA GLY 6 3.240 -1.706 4.905 34 HA3 GLY 6 2HA GLY 6 3.602 -0.946 6.431 35 H GLU 7 H GLU 7 0.482 -0.739 4.822 36 HA GLU 7 HA GLU 7 -0.680 -2.343 7.027 37 HB2 GLU 7 1HB GLU 7 -1.947 -0.135 5.401 38 HB3 GLU 7 2HB GLU 7 -2.764 -1.081 6.644 39 HG2 GLU 7 1HG GLU 7 -0.268 0.572 7.126 40 HG3 GLU 7 2HG GLU 7 -1.908 1.110 7.485 41 H VAL 8 H VAL 8 0.383 -3.349 4.460 42 HA VAL 8 HA VAL 8 -0.177 -4.891 2.865 43 HB VAL 8 HB VAL 8 -2.504 -5.238 4.747 44 HG11 VAL 8 1HG1 VAL 8 -2.728 -7.452 3.449 45 HG12 VAL 8 2HG1 VAL 8 -1.803 -6.656 2.177 46 HG13 VAL 8 3HG1 VAL 8 -3.364 -5.999 2.676 47 HG21 VAL 8 3HG2 VAL 8 -0.007 -6.855 4.155 48 HG22 VAL 8 1HG2 VAL 8 -1.268 -7.318 5.296 49 HG23 VAL 8 2HG2 VAL 8 -0.290 -5.882 5.599 50 H CYS 9 H CYS 9 -1.075 -4.863 0.828 51 HA CYS 9 HA CYS 9 -3.528 -3.286 0.442 52 HB2 CYS 9 2HB CYS 9 -2.555 -1.940 -1.320 53 HB3 CYS 9 1HB CYS 9 -1.609 -1.734 0.149 54 H SER 10 H SER 10 -3.254 -3.232 -2.405 55 HA SER 10 HA SER 10 -3.745 -4.521 -4.239 56 HB2 SER 10 1HB SER 10 -1.447 -5.450 -3.601 57 HB3 SER 10 2HB SER 10 -2.316 -6.792 -2.864 58 HG SER 10 HG SER 10 -2.475 -7.569 -4.795 59 H TRP 11 H TRP 11 -3.822 -7.617 -3.549 60 HA TRP 11 HA TRP 11 -6.602 -7.889 -3.592 61 HB2 TRP 11 2HB TRP 11 -6.248 -10.222 -3.177 62 HB3 TRP 11 1HB TRP 11 -4.893 -9.667 -4.157 63 HD1 TRP 11 1HD TRP 11 -2.510 -9.466 -2.983 64 HE1 TRP 11 1HE TRP 11 -1.578 -10.461 -0.795 65 HE3 TRP 11 3HE TRP 11 -6.864 -10.914 -0.759 66 HZ2 TRP 11 2HZ TRP 11 -2.557 -11.712 1.587 67 HZ3 TRP 11 3HZ TRP 11 -6.841 -12.006 1.468 68 HH2 TRP 11 2HH TRP 11 -4.694 -12.408 2.641 69 H GLY 12 H GLY 12 -4.355 -7.616 -0.906 70 HA2 GLY 12 1HA GLY 12 -6.093 -8.444 1.166 71 HA3 GLY 12 2HA GLY 12 -4.691 -7.398 1.357 72 H LYS 13 H LYS 13 -5.500 -5.284 -0.328 73 HA LYS 13 HA LYS 13 -8.066 -4.260 0.104 74 HB2 LYS 13 1HB LYS 13 -6.455 -4.214 2.478 75 HB3 LYS 13 2HB LYS 13 -6.708 -2.557 1.928 76 HG2 LYS 13 1HG LYS 13 -9.141 -2.970 1.801 77 HG3 LYS 13 2HG LYS 13 -8.887 -4.623 2.363 78 HD2 LYS 13 1HD LYS 13 -7.795 -3.661 4.428 79 HD3 LYS 13 2HD LYS 13 -8.322 -2.066 3.887 80 HE2 LYS 13 1HE LYS 13 -10.161 -4.427 4.387 81 HE3 LYS 13 2HE LYS 13 -9.927 -3.074 5.494 82 HZ1 LYS 13 3HZ LYS 13 -11.279 -3.140 2.894 83 HZ2 LYS 13 1HZ LYS 13 -10.508 -1.704 3.362 84 HZ3 LYS 13 2HZ LYS 13 -11.739 -2.361 4.333 85 H LYS 14 H LYS 14 -7.886 -1.662 0.158 86 HA LYS 14 HA LYS 14 -6.002 -0.978 -2.003 87 HB2 LYS 14 1HB LYS 14 -8.549 0.376 -1.065 88 HB3 LYS 14 2HB LYS 14 -7.534 0.934 -2.396 89 HG2 LYS 14 1HG LYS 14 -7.902 -1.199 -3.580 90 HG3 LYS 14 2HG LYS 14 -8.910 -1.767 -2.247 91 HD2 LYS 14 1HD LYS 14 -10.477 0.105 -2.629 92 HD3 LYS 14 2HD LYS 14 -9.474 0.669 -3.967 93 HE2 LYS 14 1HE LYS 14 -9.845 -1.459 -5.155 94 HE3 LYS 14 2HE LYS 14 -10.832 -2.042 -3.815 95 HZ1 LYS 14 3HZ LYS 14 -12.508 -0.555 -4.284 96 HZ2 LYS 14 1HZ LYS 14 -11.970 -0.955 -5.841 97 HZ3 LYS 14 2HZ LYS 14 -11.489 0.510 -5.129 98 H CYS 15 H CYS 15 -4.354 0.301 -1.604 99 HA CYS 15 HA CYS 15 -3.754 1.259 0.996 100 HB2 CYS 15 2HB CYS 15 -2.214 0.691 -1.057 101 HB3 CYS 15 1HB CYS 15 -2.484 2.381 -1.471 102 H CYS 16 H CYS 16 -3.651 3.407 1.750 103 HA CYS 16 HA CYS 16 -5.846 5.040 1.176 104 HB2 CYS 16 2HB CYS 16 -3.218 5.623 2.544 105 HB3 CYS 16 1HB CYS 16 -4.568 6.756 2.514 106 H ASP 17 H ASP 17 -2.503 5.207 0.071 107 HA ASP 17 HA ASP 17 -3.381 7.084 -2.033 108 HB2 ASP 17 1HB ASP 17 -1.170 7.390 -0.066 109 HB3 ASP 17 2HB ASP 17 -0.859 7.911 -1.721 110 H LEU 18 H LEU 18 -3.478 5.330 -3.494 111 HA LEU 18 HA LEU 18 -1.354 3.502 -3.895 112 HB2 LEU 18 1HB LEU 18 -3.640 4.405 -5.650 113 HB3 LEU 18 2HB LEU 18 -2.502 3.152 -6.145 114 HG LEU 18 HG LEU 18 -3.970 3.004 -3.503 115 HD11 LEU 18 1HD1 LEU 18 -5.718 3.136 -5.147 116 HD12 LEU 18 2HD1 LEU 18 -5.533 1.433 -4.724 117 HD13 LEU 18 3HD1 LEU 18 -4.855 2.048 -6.232 118 HD21 LEU 18 3HD2 LEU 18 -1.949 1.436 -4.721 119 HD22 LEU 18 1HD2 LEU 18 -3.442 0.516 -4.894 120 HD23 LEU 18 2HD2 LEU 18 -2.902 1.020 -3.296 121 H ASP 19 H ASP 19 -1.783 6.787 -4.792 122 HA ASP 19 HA ASP 19 -0.016 6.772 -7.060 123 HB2 ASP 19 1HB ASP 19 -1.801 8.466 -6.735 124 HB3 ASP 19 2HB ASP 19 -0.916 9.093 -5.345 125 H ASN 20 H ASN 20 0.296 7.846 -3.664 126 HA ASN 20 HA ASN 20 3.131 8.376 -4.041 127 HB2 ASN 20 1HB ASN 20 1.389 8.537 -1.576 128 HB3 ASN 20 2HB ASN 20 3.072 9.030 -1.653 129 HD21 ASN 20 1HD2 ASN 20 0.398 11.718 -2.526 130 HD22 ASN 20 2HD2 ASN 20 0.232 10.423 -1.451 131 H PHE 21 H PHE 21 1.266 5.679 -3.422 132 HA PHE 21 HA PHE 21 3.599 4.297 -2.305 133 HB2 PHE 21 2HB PHE 21 0.737 3.891 -1.426 134 HB3 PHE 21 1HB PHE 21 2.098 2.894 -0.924 135 HD1 PHE 21 1HD PHE 21 0.974 6.449 -1.037 136 HD2 PHE 21 2HD PHE 21 3.359 3.510 1.007 137 HE1 PHE 21 1HE PHE 21 1.423 8.076 0.757 138 HE2 PHE 21 2HE PHE 21 3.808 5.149 2.798 139 HZ PHE 21 HZ PHE 21 2.844 7.433 2.678 140 H TYR 22 H TYR 22 3.655 1.987 -2.732 141 HA TYR 22 HA TYR 22 1.979 1.183 -5.042 142 HB2 TYR 22 2HB TYR 22 3.858 0.295 -6.213 143 HB3 TYR 22 1HB TYR 22 4.302 1.934 -5.736 144 HD1 TYR 22 1HD TYR 22 4.756 -1.663 -4.952 145 HD2 TYR 22 2HD TYR 22 6.008 2.365 -4.162 146 HE1 TYR 22 1HE TYR 22 6.764 -2.492 -3.888 147 HE2 TYR 22 2HE TYR 22 8.010 1.499 -3.033 148 HH TYR 22 HH TYR 22 8.423 -1.874 -2.325 149 H CYS 23 H CYS 23 1.926 -1.143 -5.398 150 HA CYS 23 HA CYS 23 2.038 -2.589 -2.855 151 HB2 CYS 23 2HB CYS 23 0.472 -3.048 -5.383 152 HB3 CYS 23 1HB CYS 23 0.580 -4.243 -4.089 153 HA PRO 24 HA PRO 24 5.820 -4.479 -4.664 154 HB2 PRO 24 2HB PRO 24 5.396 -6.202 -2.262 155 HB3 PRO 24 1HB PRO 24 6.866 -5.387 -2.815 156 HG2 PRO 24 2HG PRO 24 5.487 -4.462 -0.764 157 HG3 PRO 24 1HG PRO 24 6.259 -3.380 -1.916 158 HD2 PRO 24 2HD PRO 24 3.375 -4.050 -1.608 159 HD3 PRO 24 1HD PRO 24 4.143 -2.544 -2.131 160 H MET 25 H MET 25 6.178 -6.349 -5.823 161 HA MET 25 HA MET 25 3.844 -7.949 -6.426 162 HB2 MET 25 1HB MET 25 5.546 -7.149 -8.142 163 HB3 MET 25 2HB MET 25 6.660 -8.336 -7.472 164 HG2 MET 25 1HG MET 25 3.925 -9.277 -8.260 165 HG3 MET 25 2HG MET 25 5.085 -8.930 -9.538 166 HE1 MET 25 3HE MET 25 8.140 -10.833 -8.647 167 HE2 MET 25 1HE MET 25 7.360 -9.442 -9.410 168 HE3 MET 25 2HE MET 25 7.189 -11.049 -10.114 169 H GLU 26 H GLU 26 3.647 -8.871 -4.257 170 HA GLU 26 HA GLU 26 5.144 -11.367 -4.060 171 HB2 GLU 26 1HB GLU 26 4.964 -9.328 -1.830 172 HB3 GLU 26 2HB GLU 26 5.449 -11.008 -1.593 173 HG2 GLU 26 1HG GLU 26 7.308 -10.694 -3.192 174 HG3 GLU 26 2HG GLU 26 6.833 -9.013 -3.411 175 H PHE 27 H PHE 27 4.174 -12.594 -2.050 176 HA PHE 27 HA PHE 27 1.502 -13.202 -2.650 177 HB2 PHE 27 2HB PHE 27 2.967 -14.801 -1.527 178 HB3 PHE 27 1HB PHE 27 3.060 -13.752 -0.113 179 HD1 PHE 27 1HD PHE 27 0.592 -15.549 -2.280 180 HD2 PHE 27 2HD PHE 27 1.472 -13.954 1.609 181 HE1 PHE 27 1HE PHE 27 -1.494 -16.555 -1.396 182 HE2 PHE 27 2HE PHE 27 -0.614 -14.958 2.494 183 HZ PHE 27 HZ PHE 27 -2.099 -16.258 0.991 184 H ILE 28 H ILE 28 2.889 -11.269 -0.010 185 HA ILE 28 HA ILE 28 0.217 -10.072 0.423 186 HB ILE 28 HB ILE 28 1.105 -9.713 2.814 187 HG12 ILE 28 1HG1 ILE 28 2.817 -12.086 2.035 188 HG13 ILE 28 2HG1 ILE 28 3.451 -10.447 2.156 189 HG21 ILE 28 1HG2 ILE 28 0.635 -12.376 3.136 190 HG22 ILE 28 2HG2 ILE 28 -0.015 -12.124 1.515 191 HG23 ILE 28 3HG2 ILE 28 -0.635 -11.182 2.872 192 HD11 ILE 28 3HD1 ILE 28 2.048 -11.932 4.396 193 HD12 ILE 28 1HD1 ILE 28 2.760 -10.322 4.503 194 HD13 ILE 28 2HD1 ILE 28 3.795 -11.730 4.256 195 HA PRO 29 HA PRO 29 3.198 -6.767 -0.981 196 HB2 PRO 29 2HB PRO 29 0.560 -5.585 -1.693 197 HB3 PRO 29 1HB PRO 29 2.048 -5.683 -2.655 198 HG2 PRO 29 2HG PRO 29 -0.036 -7.237 -3.173 199 HG3 PRO 29 1HG PRO 29 1.618 -7.858 -3.320 200 HD2 PRO 29 2HD PRO 29 -0.407 -8.344 -1.160 201 HD3 PRO 29 1HD PRO 29 0.800 -9.454 -1.847 202 H HIS 30 H HIS 30 3.620 -4.784 -0.016 203 HA HIS 30 HA HIS 30 1.705 -3.892 2.056 204 HB2 HIS 30 1HB HIS 30 4.708 -4.019 2.266 205 HB3 HIS 30 2HB HIS 30 3.664 -3.224 3.413 206 HD1 HIS 30 HD1 HIS 30 4.889 -6.562 2.409 207 HD2 HIS 30 HD2 HIS 30 1.878 -5.012 4.844 208 HE1 HIS 30 HE1 HIS 30 4.078 -8.479 3.853 209 H CYS 31 H CYS 31 1.577 -1.664 2.429 210 HA CYS 31 HA CYS 31 1.974 -0.030 0.126 211 HB2 CYS 31 2HB CYS 31 1.159 0.526 2.972 212 HB3 CYS 31 1HB CYS 31 1.339 1.823 1.800 213 H LYS 32 H LYS 32 3.910 0.624 -0.533 214 HA LYS 32 HA LYS 32 5.885 1.517 1.509 215 HB2 LYS 32 1HB LYS 32 6.409 0.356 -1.215 216 HB3 LYS 32 2HB LYS 32 7.645 0.876 -0.077 217 HG2 LYS 32 1HG LYS 32 5.661 -1.379 0.281 218 HG3 LYS 32 2HG LYS 32 7.393 -1.546 0.010 219 HD2 LYS 32 1HD LYS 32 7.601 -0.023 2.143 220 HD3 LYS 32 2HD LYS 32 5.954 -0.570 2.464 221 HE2 LYS 32 1HE LYS 32 6.731 -2.925 2.271 222 HE3 LYS 32 2HE LYS 32 8.377 -2.346 2.043 223 HZ1 LYS 32 3HZ LYS 32 8.175 -2.825 4.316 224 HZ2 LYS 32 1HZ LYS 32 6.663 -2.069 4.438 225 HZ3 LYS 32 2HZ LYS 32 8.062 -1.133 4.212 226 H LYS 33 H LYS 33 7.364 3.200 0.785 227 HA LYS 33 HA LYS 33 5.940 5.200 -0.823 228 HB2 LYS 33 1HB LYS 33 8.294 5.368 1.070 229 HB3 LYS 33 2HB LYS 33 7.650 6.741 0.172 230 HG2 LYS 33 1HG LYS 33 5.477 6.483 1.244 231 HG3 LYS 33 2HG LYS 33 6.024 5.018 2.059 232 HD2 LYS 33 1HD LYS 33 7.731 6.316 3.271 233 HD3 LYS 33 2HD LYS 33 7.198 7.787 2.456 234 HE2 LYS 33 1HE LYS 33 5.002 7.613 3.468 235 HE3 LYS 33 2HE LYS 33 5.408 6.059 4.181 236 HZ1 LYS 33 3HZ LYS 33 5.682 7.674 5.857 237 HZ2 LYS 33 1HZ LYS 33 6.554 8.711 4.835 238 HZ3 LYS 33 2HZ LYS 33 7.251 7.251 5.358 239 H TYR 34 H TYR 34 6.691 3.642 -2.733 240 HA TYR 34 HA TYR 34 8.241 3.126 -4.421 241 HB2 TYR 34 2HB TYR 34 7.974 6.107 -4.268 242 HB3 TYR 34 1HB TYR 34 8.803 5.298 -5.586 243 HD1 TYR 34 1HD TYR 34 5.554 5.718 -3.884 244 HD2 TYR 34 2HD TYR 34 7.633 4.009 -7.236 245 HE1 TYR 34 1HE TYR 34 3.395 5.250 -4.995 246 HE2 TYR 34 2HE TYR 34 5.463 3.539 -8.340 247 HH TYR 34 HH TYR 34 2.378 4.410 -6.771 248 H LYS 35 H LYS 35 10.381 5.031 -5.193 249 HA LYS 35 HA LYS 35 12.315 4.561 -3.024 250 HB2 LYS 35 1HB LYS 35 13.986 4.013 -4.837 251 HB3 LYS 35 2HB LYS 35 12.726 2.802 -4.602 252 HG2 LYS 35 1HG LYS 35 12.151 4.965 -6.567 253 HG3 LYS 35 2HG LYS 35 13.361 3.773 -7.038 254 HD2 LYS 35 1HD LYS 35 11.739 1.957 -6.549 255 HD3 LYS 35 2HD LYS 35 10.523 3.166 -6.136 256 HE2 LYS 35 1HE LYS 35 11.920 3.090 -8.819 257 HE3 LYS 35 2HE LYS 35 10.383 2.280 -8.510 258 HZ1 LYS 35 3HZ LYS 35 10.277 4.925 -7.541 259 HZ2 LYS 35 1HZ LYS 35 9.330 4.197 -8.745 260 HZ3 LYS 35 2HZ LYS 35 10.798 4.948 -9.158 261 HA PRO 36 HA PRO 36 12.347 8.875 -4.923 262 HB2 PRO 36 2HB PRO 36 11.656 10.251 -2.659 263 HB3 PRO 36 1HB PRO 36 10.466 9.640 -3.824 264 HG2 PRO 36 2HG PRO 36 11.317 8.492 -1.209 265 HG3 PRO 36 1HG PRO 36 9.698 8.596 -1.926 266 HD2 PRO 36 2HD PRO 36 11.173 6.298 -1.967 267 HD3 PRO 36 1HD PRO 36 10.004 6.711 -3.241 268 H TYR 37 H TYR 37 14.060 10.305 -4.708 269 HA TYR 37 HA TYR 37 16.082 9.572 -2.680 270 HB2 TYR 37 2HB TYR 37 16.424 10.864 -5.395 271 HB3 TYR 37 1HB TYR 37 17.728 10.513 -4.260 272 HD1 TYR 37 1HD TYR 37 15.117 9.014 -6.408 273 HD2 TYR 37 2HD TYR 37 18.555 8.274 -3.942 274 HE1 TYR 37 1HE TYR 37 15.238 6.698 -7.275 275 HE2 TYR 37 2HE TYR 37 18.675 5.953 -4.808 276 HH TYR 37 HH TYR 37 17.898 4.532 -6.362 277 H VAL 38 H VAL 38 13.783 11.837 -3.258 278 HA VAL 38 HA VAL 38 15.314 13.881 -1.793 279 HB VAL 38 HB VAL 38 14.071 15.623 -3.113 280 HG11 VAL 38 1HG1 VAL 38 15.456 15.254 -5.204 281 HG12 VAL 38 2HG1 VAL 38 15.911 13.684 -4.539 282 HG13 VAL 38 3HG1 VAL 38 16.362 15.164 -3.693 283 HG21 VAL 38 3HG2 VAL 38 12.219 14.226 -3.907 284 HG22 VAL 38 1HG2 VAL 38 13.346 13.192 -4.786 285 HG23 VAL 38 2HG2 VAL 38 13.109 14.866 -5.288 286 HA PRO 39 HA PRO 39 11.796 13.826 0.914 287 HB2 PRO 39 2HB PRO 39 11.967 16.319 2.019 288 HB3 PRO 39 1HB PRO 39 13.073 14.996 2.438 289 HG2 PRO 39 2HG PRO 39 13.481 17.286 0.570 290 HG3 PRO 39 1HG PRO 39 14.598 16.576 1.747 291 HD2 PRO 39 2HD PRO 39 14.744 16.011 -0.914 292 HD3 PRO 39 1HD PRO 39 15.201 14.838 0.338 293 H VAL 40 H VAL 40 9.641 14.500 1.030 294 HA VAL 40 HA VAL 40 8.485 15.617 -1.290 295 HB VAL 40 HB VAL 40 7.382 15.174 1.488 296 HG11 VAL 40 1HG1 VAL 40 5.990 16.874 0.613 297 HG12 VAL 40 2HG1 VAL 40 5.153 15.381 0.188 298 HG13 VAL 40 3HG1 VAL 40 6.101 16.237 -1.028 299 HG21 VAL 40 3HG2 VAL 40 6.299 13.671 -0.775 300 HG22 VAL 40 1HG2 VAL 40 6.925 13.078 0.764 301 HG23 VAL 40 2HG2 VAL 40 8.032 13.412 -0.567 302 H THR 41 H THR 41 9.113 16.995 1.925 303 HA THR 41 HA THR 41 8.036 19.571 1.262 304 HB THR 41 HB THR 41 9.876 18.741 3.521 305 HG1 THR 41 1HG THR 41 7.946 17.673 3.675 306 HG21 THR 41 3HG2 THR 41 9.998 21.118 3.267 307 HG22 THR 41 1HG2 THR 41 8.859 20.819 4.581 308 HG23 THR 41 2HG2 THR 41 8.263 21.240 2.974 309 H THR 42 H THR 42 9.009 21.255 0.312 310 HA THR 42 HA THR 42 11.952 21.259 0.085 311 HB THR 42 HB THR 42 10.162 22.055 -2.207 312 HG1 THR 42 1HG THR 42 10.319 20.029 -2.968 313 HG21 THR 42 3HG2 THR 42 12.235 21.750 -3.488 314 HG22 THR 42 1HG2 THR 42 13.075 21.233 -2.025 315 HG23 THR 42 2HG2 THR 42 12.491 22.892 -2.169 Start of MODEL 3 1 HA ASP 1 HA ASP 1 -10.403 2.175 6.937 2 HB2 ASP 1 1HB ASP 1 -12.658 1.688 4.970 3 HB3 ASP 1 2HB ASP 1 -11.804 0.452 5.891 4 H CYS 2 H CYS 2 -8.402 2.366 6.022 5 HA CYS 2 HA CYS 2 -8.099 1.385 3.307 6 HB2 CYS 2 2HB CYS 2 -6.807 3.276 2.506 7 HB3 CYS 2 1HB CYS 2 -8.404 3.837 3.002 8 H ALA 3 H ALA 3 -5.713 1.207 2.750 9 HA ALA 3 HA ALA 3 -4.312 0.206 5.124 10 HB1 ALA 3 3HB ALA 3 -3.392 -1.323 3.738 11 HB2 ALA 3 1HB ALA 3 -2.972 -0.104 2.537 12 HB3 ALA 3 2HB ALA 3 -4.594 -0.794 2.561 13 H LYS 4 H LYS 4 -2.956 1.525 6.137 14 HA LYS 4 HA LYS 4 -1.925 3.921 4.926 15 HB2 LYS 4 1HB LYS 4 -2.442 3.222 7.491 16 HB3 LYS 4 2HB LYS 4 -0.706 2.923 7.436 17 HG2 LYS 4 1HG LYS 4 -0.757 5.174 8.027 18 HG3 LYS 4 2HG LYS 4 -0.635 5.292 6.272 19 HD2 LYS 4 1HD LYS 4 -3.231 5.282 6.302 20 HD3 LYS 4 2HD LYS 4 -3.065 5.663 8.017 21 HE2 LYS 4 1HE LYS 4 -3.200 7.776 6.947 22 HE3 LYS 4 2HE LYS 4 -1.481 7.548 7.270 23 HZ1 LYS 4 3HZ LYS 4 -1.068 6.983 5.057 24 HZ2 LYS 4 1HZ LYS 4 -2.129 8.302 4.955 25 HZ3 LYS 4 2HZ LYS 4 -2.712 6.725 4.710 26 H GLU 5 H GLU 5 0.650 4.129 5.830 27 HA GLU 5 HA GLU 5 2.123 2.779 3.837 28 HB2 GLU 5 1HB GLU 5 2.846 4.924 4.736 29 HB3 GLU 5 2HB GLU 5 3.080 4.202 6.330 30 HG2 GLU 5 1HG GLU 5 4.852 2.786 5.507 31 HG3 GLU 5 2HG GLU 5 4.523 3.254 3.840 32 H GLY 6 H GLY 6 3.029 0.842 3.784 33 HA2 GLY 6 1HA GLY 6 4.069 -1.097 4.498 34 HA3 GLY 6 2HA GLY 6 4.000 -0.500 6.148 35 H GLU 7 H GLU 7 0.967 -0.173 4.835 36 HA GLU 7 HA GLU 7 0.020 -2.507 6.310 37 HB2 GLU 7 1HB GLU 7 -1.530 -0.321 4.902 38 HB3 GLU 7 2HB GLU 7 -2.213 -1.564 5.949 39 HG2 GLU 7 1HG GLU 7 -0.094 0.413 6.829 40 HG3 GLU 7 2HG GLU 7 -1.818 0.616 7.129 41 H VAL 8 H VAL 8 -1.365 -4.092 5.396 42 HA VAL 8 HA VAL 8 -0.513 -5.101 2.933 43 HB VAL 8 HB VAL 8 -2.991 -5.694 4.553 44 HG11 VAL 8 1HG1 VAL 8 -1.864 -6.992 2.065 45 HG12 VAL 8 2HG1 VAL 8 -3.505 -6.414 2.343 46 HG13 VAL 8 3HG1 VAL 8 -2.927 -7.856 3.174 47 HG21 VAL 8 3HG2 VAL 8 -0.317 -7.097 4.235 48 HG22 VAL 8 1HG2 VAL 8 -1.678 -7.723 5.162 49 HG23 VAL 8 2HG2 VAL 8 -0.877 -6.237 5.669 50 H CYS 9 H CYS 9 -1.174 -4.847 0.848 51 HA CYS 9 HA CYS 9 -3.692 -3.353 0.397 52 HB2 CYS 9 2HB CYS 9 -2.628 -1.959 -1.278 53 HB3 CYS 9 1HB CYS 9 -1.767 -1.785 0.249 54 H SER 10 H SER 10 -3.244 -3.203 -2.432 55 HA SER 10 HA SER 10 -3.616 -4.413 -4.342 56 HB2 SER 10 1HB SER 10 -1.413 -5.439 -3.549 57 HB3 SER 10 2HB SER 10 -2.375 -6.785 -2.958 58 HG SER 10 HG SER 10 -1.805 -5.970 -5.551 59 H TRP 11 H TRP 11 -3.828 -7.531 -3.730 60 HA TRP 11 HA TRP 11 -6.588 -7.743 -4.059 61 HB2 TRP 11 2HB TRP 11 -6.332 -10.082 -3.611 62 HB3 TRP 11 1HB TRP 11 -4.863 -9.561 -4.430 63 HD1 TRP 11 1HD TRP 11 -2.624 -9.411 -2.996 64 HE1 TRP 11 1HE TRP 11 -1.968 -10.417 -0.715 65 HE3 TRP 11 3HE TRP 11 -7.232 -10.748 -1.270 66 HZ2 TRP 11 2HZ TRP 11 -3.235 -11.634 1.546 67 HZ3 TRP 11 3HZ TRP 11 -7.484 -11.830 0.948 68 HH2 TRP 11 2HH TRP 11 -5.494 -12.273 2.355 69 H GLY 12 H GLY 12 -4.643 -7.489 -1.137 70 HA2 GLY 12 1HA GLY 12 -6.617 -8.315 0.714 71 HA3 GLY 12 2HA GLY 12 -5.247 -7.271 1.074 72 H LYS 13 H LYS 13 -5.817 -5.133 -0.646 73 HA LYS 13 HA LYS 13 -8.440 -4.130 -0.495 74 HB2 LYS 13 1HB LYS 13 -7.451 -4.188 2.032 75 HB3 LYS 13 2HB LYS 13 -6.850 -2.619 1.505 76 HG2 LYS 13 1HG LYS 13 -8.954 -2.069 2.363 77 HG3 LYS 13 2HG LYS 13 -9.296 -2.256 0.644 78 HD2 LYS 13 1HD LYS 13 -10.102 -4.542 1.021 79 HD3 LYS 13 2HD LYS 13 -9.675 -4.429 2.729 80 HE2 LYS 13 1HE LYS 13 -11.282 -2.591 3.024 81 HE3 LYS 13 2HE LYS 13 -11.693 -2.665 1.309 82 HZ1 LYS 13 3HZ LYS 13 -12.876 -4.088 3.321 83 HZ2 LYS 13 1HZ LYS 13 -11.865 -5.220 2.564 84 HZ3 LYS 13 2HZ LYS 13 -13.029 -4.384 1.655 85 H LYS 14 H LYS 14 -7.741 -1.393 0.073 86 HA LYS 14 HA LYS 14 -5.927 -0.799 -2.188 87 HB2 LYS 14 1HB LYS 14 -8.473 0.600 -1.330 88 HB3 LYS 14 2HB LYS 14 -7.353 1.215 -2.547 89 HG2 LYS 14 1HG LYS 14 -7.764 -0.625 -4.004 90 HG3 LYS 14 2HG LYS 14 -8.561 -1.546 -2.731 91 HD2 LYS 14 1HD LYS 14 -10.262 -0.658 -4.218 92 HD3 LYS 14 2HD LYS 14 -10.369 0.184 -2.676 93 HE2 LYS 14 1HE LYS 14 -9.200 2.106 -3.567 94 HE3 LYS 14 2HE LYS 14 -8.850 1.251 -5.071 95 HZ1 LYS 14 3HZ LYS 14 -10.740 2.116 -5.818 96 HZ2 LYS 14 1HZ LYS 14 -11.210 2.646 -4.278 97 HZ3 LYS 14 2HZ LYS 14 -11.560 1.059 -4.772 98 H CYS 15 H CYS 15 -4.296 0.528 -1.773 99 HA CYS 15 HA CYS 15 -3.761 1.372 0.906 100 HB2 CYS 15 2HB CYS 15 -2.122 0.747 -1.016 101 HB3 CYS 15 1HB CYS 15 -2.345 2.418 -1.522 102 H CYS 16 H CYS 16 -4.265 3.245 1.875 103 HA CYS 16 HA CYS 16 -6.148 5.020 1.106 104 HB2 CYS 16 2HB CYS 16 -4.184 4.930 3.124 105 HB3 CYS 16 1HB CYS 16 -4.065 6.528 2.390 106 H ASP 17 H ASP 17 -2.801 5.028 0.089 107 HA ASP 17 HA ASP 17 -3.492 7.010 -1.972 108 HB2 ASP 17 1HB ASP 17 -1.194 7.161 -0.029 109 HB3 ASP 17 2HB ASP 17 -1.158 7.997 -1.579 110 H LEU 18 H LEU 18 -3.383 5.665 -3.694 111 HA LEU 18 HA LEU 18 -1.244 3.721 -3.944 112 HB2 LEU 18 1HB LEU 18 -3.574 4.506 -5.704 113 HB3 LEU 18 2HB LEU 18 -2.383 3.299 -6.186 114 HG LEU 18 HG LEU 18 -3.815 3.101 -3.532 115 HD11 LEU 18 1HD1 LEU 18 -5.419 1.570 -4.662 116 HD12 LEU 18 2HD1 LEU 18 -4.726 2.032 -6.218 117 HD13 LEU 18 3HD1 LEU 18 -5.563 3.233 -5.233 118 HD21 LEU 18 3HD2 LEU 18 -2.761 1.099 -3.376 119 HD22 LEU 18 1HD2 LEU 18 -1.758 1.619 -4.730 120 HD23 LEU 18 2HD2 LEU 18 -3.207 0.660 -5.020 121 H ASP 19 H ASP 19 -1.655 6.995 -4.631 122 HA ASP 19 HA ASP 19 0.075 7.036 -6.972 123 HB2 ASP 19 1HB ASP 19 -0.241 9.465 -6.878 124 HB3 ASP 19 2HB ASP 19 -1.791 8.629 -6.792 125 H ASN 20 H ASN 20 0.368 7.234 -3.549 126 HA ASN 20 HA ASN 20 3.125 8.272 -3.792 127 HB2 ASN 20 1HB ASN 20 1.260 8.238 -1.418 128 HB3 ASN 20 2HB ASN 20 2.925 8.793 -1.374 129 HD21 ASN 20 1HD2 ASN 20 0.027 11.247 -2.613 130 HD22 ASN 20 2HD2 ASN 20 -0.279 9.748 -1.887 131 H PHE 21 H PHE 21 1.230 5.524 -3.086 132 HA PHE 21 HA PHE 21 3.635 4.128 -2.124 133 HB2 PHE 21 2HB PHE 21 0.813 3.730 -1.118 134 HB3 PHE 21 1HB PHE 21 2.213 2.773 -0.637 135 HD1 PHE 21 1HD PHE 21 0.815 6.202 -0.664 136 HD2 PHE 21 2HD PHE 21 3.739 3.572 1.055 137 HE1 PHE 21 1HE PHE 21 1.324 7.904 1.054 138 HE2 PHE 21 2HE PHE 21 4.251 5.283 2.773 139 HZ PHE 21 HZ PHE 21 3.049 7.448 2.775 140 H TYR 22 H TYR 22 3.811 1.931 -2.738 141 HA TYR 22 HA TYR 22 1.973 1.108 -4.913 142 HB2 TYR 22 2HB TYR 22 3.825 0.193 -6.121 143 HB3 TYR 22 1HB TYR 22 4.277 1.831 -5.671 144 HD1 TYR 22 1HD TYR 22 4.732 -1.764 -4.789 145 HD2 TYR 22 2HD TYR 22 6.042 2.274 -4.209 146 HE1 TYR 22 1HE TYR 22 6.784 -2.571 -3.771 147 HE2 TYR 22 2HE TYR 22 8.082 1.462 -3.154 148 HH TYR 22 HH TYR 22 9.037 -0.405 -2.172 149 H CYS 23 H CYS 23 1.935 -1.252 -5.267 150 HA CYS 23 HA CYS 23 2.050 -2.652 -2.709 151 HB2 CYS 23 2HB CYS 23 0.496 -3.187 -5.213 152 HB3 CYS 23 1HB CYS 23 0.591 -4.321 -3.872 153 HA PRO 24 HA PRO 24 5.830 -4.580 -4.501 154 HB2 PRO 24 2HB PRO 24 5.454 -6.244 -2.052 155 HB3 PRO 24 1HB PRO 24 6.897 -5.416 -2.636 156 HG2 PRO 24 2HG PRO 24 5.514 -4.477 -0.591 157 HG3 PRO 24 1HG PRO 24 6.285 -3.413 -1.758 158 HD2 PRO 24 2HD PRO 24 3.407 -4.070 -1.435 159 HD3 PRO 24 1HD PRO 24 4.174 -2.583 -2.004 160 H MET 25 H MET 25 6.254 -6.565 -5.487 161 HA MET 25 HA MET 25 3.918 -8.171 -6.107 162 HB2 MET 25 1HB MET 25 5.640 -7.535 -7.820 163 HB3 MET 25 2HB MET 25 6.786 -8.585 -6.989 164 HG2 MET 25 1HG MET 25 5.801 -9.840 -8.818 165 HG3 MET 25 2HG MET 25 5.177 -10.488 -7.306 166 HE1 MET 25 3HE MET 25 3.817 -7.059 -9.339 167 HE2 MET 25 1HE MET 25 3.153 -8.130 -10.581 168 HE3 MET 25 2HE MET 25 4.861 -8.215 -10.159 169 H GLU 26 H GLU 26 3.415 -9.223 -4.165 170 HA GLU 26 HA GLU 26 4.922 -11.627 -3.684 171 HB2 GLU 26 1HB GLU 26 5.674 -9.419 -2.189 172 HB3 GLU 26 2HB GLU 26 4.542 -10.264 -1.131 173 HG2 GLU 26 1HG GLU 26 6.708 -11.199 -0.696 174 HG3 GLU 26 2HG GLU 26 5.824 -12.395 -1.642 175 H PHE 27 H PHE 27 3.873 -12.655 -1.552 176 HA PHE 27 HA PHE 27 1.211 -13.260 -2.203 177 HB2 PHE 27 2HB PHE 27 2.660 -14.772 -0.900 178 HB3 PHE 27 1HB PHE 27 2.619 -13.638 0.450 179 HD1 PHE 27 1HD PHE 27 0.369 -15.592 -1.806 180 HD2 PHE 27 2HD PHE 27 0.895 -13.782 2.052 181 HE1 PHE 27 1HE PHE 27 -1.767 -16.596 -1.045 182 HE2 PHE 27 2HE PHE 27 -1.242 -14.784 2.814 183 HZ PHE 27 HZ PHE 27 -2.573 -16.193 1.266 184 H ILE 28 H ILE 28 2.546 -11.177 0.348 185 HA ILE 28 HA ILE 28 -0.104 -9.889 0.591 186 HB ILE 28 HB ILE 28 0.659 -9.454 3.014 187 HG12 ILE 28 1HG1 ILE 28 2.329 -11.912 2.423 188 HG13 ILE 28 2HG1 ILE 28 3.009 -10.288 2.525 189 HG21 ILE 28 1HG2 ILE 28 -1.142 -10.858 3.007 190 HG22 ILE 28 2HG2 ILE 28 0.065 -12.072 3.430 191 HG23 ILE 28 3HG2 ILE 28 -0.458 -11.893 1.754 192 HD11 ILE 28 3HD1 ILE 28 2.028 -10.086 4.825 193 HD12 ILE 28 1HD1 ILE 28 3.250 -11.349 4.694 194 HD13 ILE 28 2HD1 ILE 28 1.540 -11.776 4.717 195 HA PRO 29 HA PRO 29 3.074 -6.757 -0.800 196 HB2 PRO 29 2HB PRO 29 0.483 -5.557 -1.680 197 HB3 PRO 29 1HB PRO 29 2.020 -5.688 -2.558 198 HG2 PRO 29 2HG PRO 29 -0.037 -7.249 -3.145 199 HG3 PRO 29 1HG PRO 29 1.616 -7.889 -3.171 200 HD2 PRO 29 2HD PRO 29 -0.544 -8.291 -1.128 201 HD3 PRO 29 1HD PRO 29 0.705 -9.426 -1.690 202 H HIS 30 H HIS 30 3.554 -4.813 0.194 203 HA HIS 30 HA HIS 30 1.534 -3.769 2.106 204 HB2 HIS 30 1HB HIS 30 4.521 -3.952 2.485 205 HB3 HIS 30 2HB HIS 30 3.414 -3.125 3.574 206 HD1 HIS 30 HD1 HIS 30 4.523 -6.535 2.513 207 HD2 HIS 30 HD2 HIS 30 1.672 -4.845 5.040 208 HE1 HIS 30 HE1 HIS 30 3.633 -8.423 3.951 209 H CYS 31 H CYS 31 1.452 -1.524 2.367 210 HA CYS 31 HA CYS 31 1.987 0.010 0.046 211 HB2 CYS 31 2HB CYS 31 1.335 0.799 2.877 212 HB3 CYS 31 1HB CYS 31 1.450 1.961 1.563 213 H LYS 32 H LYS 32 3.873 0.768 -0.654 214 HA LYS 32 HA LYS 32 5.920 1.569 1.343 215 HB2 LYS 32 1HB LYS 32 6.322 0.203 -1.296 216 HB3 LYS 32 2HB LYS 32 7.629 0.832 -0.303 217 HG2 LYS 32 1HG LYS 32 5.664 -1.336 0.459 218 HG3 LYS 32 2HG LYS 32 7.348 -1.590 0.018 219 HD2 LYS 32 1HD LYS 32 7.801 0.161 1.952 220 HD3 LYS 32 2HD LYS 32 6.220 -0.372 2.523 221 HE2 LYS 32 1HE LYS 32 8.554 -2.210 1.915 222 HE3 LYS 32 2HE LYS 32 8.049 -1.710 3.528 223 HZ1 LYS 32 3HZ LYS 32 7.185 -3.919 2.626 224 HZ2 LYS 32 1HZ LYS 32 6.148 -2.981 1.666 225 HZ3 LYS 32 2HZ LYS 32 6.069 -2.869 3.359 226 H LYS 33 H LYS 33 6.643 3.574 1.158 227 HA LYS 33 HA LYS 33 5.577 5.361 -0.772 228 HB2 LYS 33 1HB LYS 33 6.326 5.914 1.578 229 HB3 LYS 33 2HB LYS 33 7.978 5.861 0.972 230 HG2 LYS 33 1HG LYS 33 7.553 7.636 -0.598 231 HG3 LYS 33 2HG LYS 33 5.823 7.598 -0.257 232 HD2 LYS 33 1HD LYS 33 7.743 8.095 1.994 233 HD3 LYS 33 2HD LYS 33 7.346 9.413 0.894 234 HE2 LYS 33 1HE LYS 33 4.929 9.039 1.345 235 HE3 LYS 33 2HE LYS 33 5.352 7.770 2.493 236 HZ1 LYS 33 3HZ LYS 33 6.473 9.335 3.860 237 HZ2 LYS 33 1HZ LYS 33 4.952 9.992 3.503 238 HZ3 LYS 33 2HZ LYS 33 6.334 10.564 2.695 239 H TYR 34 H TYR 34 6.330 6.103 -2.630 240 HA TYR 34 HA TYR 34 9.074 5.829 -3.454 241 HB2 TYR 34 2HB TYR 34 8.729 4.380 -5.272 242 HB3 TYR 34 1HB TYR 34 7.944 3.624 -3.903 243 HD1 TYR 34 1HD TYR 34 7.520 3.742 -7.165 244 HD2 TYR 34 2HD TYR 34 5.356 5.105 -3.712 245 HE1 TYR 34 1HE TYR 34 5.403 3.682 -8.438 246 HE2 TYR 34 2HE TYR 34 3.264 5.061 -4.992 247 HH TYR 34 HH TYR 34 2.845 5.271 -7.801 248 H LYS 35 H LYS 35 9.363 6.672 -5.687 249 HA LYS 35 HA LYS 35 7.375 8.744 -6.330 250 HB2 LYS 35 1HB LYS 35 10.369 9.042 -6.308 251 HB3 LYS 35 2HB LYS 35 9.213 10.272 -6.807 252 HG2 LYS 35 1HG LYS 35 9.405 10.917 -4.610 253 HG3 LYS 35 2HG LYS 35 8.157 9.698 -4.404 254 HD2 LYS 35 1HD LYS 35 9.883 9.324 -2.744 255 HD3 LYS 35 2HD LYS 35 9.940 7.992 -3.903 256 HE2 LYS 35 1HE LYS 35 12.007 8.598 -4.647 257 HE3 LYS 35 2HE LYS 35 11.627 10.320 -4.621 258 HZ1 LYS 35 3HZ LYS 35 13.091 8.863 -2.754 259 HZ2 LYS 35 1HZ LYS 35 11.658 9.350 -1.989 260 HZ3 LYS 35 2HZ LYS 35 12.673 10.509 -2.702 261 HA PRO 36 HA PRO 36 8.337 6.322 -10.132 262 HB2 PRO 36 2HB PRO 36 5.820 6.321 -11.165 263 HB3 PRO 36 1HB PRO 36 6.364 5.152 -9.946 264 HG2 PRO 36 2HG PRO 36 4.714 7.603 -9.615 265 HG3 PRO 36 1HG PRO 36 4.557 6.027 -8.829 266 HD2 PRO 36 2HD PRO 36 5.702 8.215 -7.642 267 HD3 PRO 36 1HD PRO 36 6.108 6.543 -7.189 268 H TYR 37 H TYR 37 8.345 6.955 -12.367 269 HA TYR 37 HA TYR 37 7.401 9.623 -13.050 270 HB2 TYR 37 2HB TYR 37 9.630 10.343 -13.819 271 HB3 TYR 37 1HB TYR 37 9.605 10.064 -12.079 272 HD1 TYR 37 1HD TYR 37 10.852 8.852 -15.325 273 HD2 TYR 37 2HD TYR 37 10.680 8.098 -11.100 274 HE1 TYR 37 1HE TYR 37 12.680 7.186 -15.546 275 HE2 TYR 37 2HE TYR 37 12.502 6.436 -11.318 276 HH TYR 37 HH TYR 37 13.862 5.370 -12.710 277 H VAL 38 H VAL 38 7.616 10.065 -15.366 278 HA VAL 38 HA VAL 38 7.638 7.567 -16.915 279 HB VAL 38 HB VAL 38 6.184 8.824 -18.536 280 HG11 VAL 38 1HG1 VAL 38 5.424 8.224 -15.696 281 HG12 VAL 38 2HG1 VAL 38 4.951 7.391 -17.178 282 HG13 VAL 38 3HG1 VAL 38 4.227 8.945 -16.770 283 HG21 VAL 38 3HG2 VAL 38 5.157 10.906 -17.779 284 HG22 VAL 38 1HG2 VAL 38 6.911 11.100 -17.781 285 HG23 VAL 38 2HG2 VAL 38 6.053 10.832 -16.263 286 HA PRO 39 HA PRO 39 11.085 9.183 -19.211 287 HB2 PRO 39 2HB PRO 39 10.773 7.868 -21.585 288 HB3 PRO 39 1HB PRO 39 11.351 7.073 -20.106 289 HG2 PRO 39 2HG PRO 39 8.623 7.073 -21.313 290 HG3 PRO 39 1HG PRO 39 9.531 5.741 -20.577 291 HD2 PRO 39 2HD PRO 39 7.569 7.074 -19.234 292 HD3 PRO 39 1HD PRO 39 8.981 6.373 -18.414 293 H VAL 40 H VAL 40 11.641 10.538 -21.029 294 HA VAL 40 HA VAL 40 9.335 11.822 -22.364 295 HB VAL 40 HB VAL 40 10.478 13.991 -22.126 296 HG11 VAL 40 1HG1 VAL 40 8.827 13.336 -20.438 297 HG12 VAL 40 2HG1 VAL 40 10.135 14.243 -19.679 298 HG13 VAL 40 3HG1 VAL 40 10.073 12.488 -19.524 299 HG21 VAL 40 3HG2 VAL 40 12.559 12.224 -20.901 300 HG22 VAL 40 1HG2 VAL 40 12.336 13.829 -20.204 301 HG23 VAL 40 2HG2 VAL 40 12.756 13.658 -21.907 302 H THR 41 H THR 41 9.853 12.873 -24.384 303 HA THR 41 HA THR 41 12.414 12.175 -25.616 304 HB THR 41 HB THR 41 10.912 10.240 -26.047 305 HG1 THR 41 1HG THR 41 12.010 11.890 -27.950 306 HG21 THR 41 3HG2 THR 41 8.910 10.507 -27.353 307 HG22 THR 41 1HG2 THR 41 9.241 12.219 -27.613 308 HG23 THR 41 2HG2 THR 41 8.807 11.639 -26.006 309 H THR 42 H THR 42 12.886 13.395 -27.485 310 HA THR 42 HA THR 42 11.214 15.815 -27.774 311 HB THR 42 HB THR 42 14.059 15.582 -28.717 312 HG1 THR 42 1HG THR 42 13.677 16.759 -26.285 313 HG21 THR 42 3HG2 THR 42 13.984 17.892 -28.792 314 HG22 THR 42 1HG2 THR 42 12.775 18.001 -27.514 315 HG23 THR 42 2HG2 THR 42 12.296 17.519 -29.141 Start of MODEL 4 1 HA ASP 1 HA ASP 1 -10.942 2.282 6.787 2 HB2 ASP 1 1HB ASP 1 -10.236 -0.575 6.513 3 HB3 ASP 1 2HB ASP 1 -10.162 0.472 7.929 4 H CYS 2 H CYS 2 -8.556 1.663 6.216 5 HA CYS 2 HA CYS 2 -8.139 0.927 3.439 6 HB2 CYS 2 2HB CYS 2 -8.535 3.158 2.917 7 HB3 CYS 2 1HB CYS 2 -7.840 3.742 4.429 8 H ALA 3 H ALA 3 -5.839 0.838 2.880 9 HA ALA 3 HA ALA 3 -4.268 0.034 5.229 10 HB1 ALA 3 3HB ALA 3 -3.341 -1.541 3.899 11 HB2 ALA 3 1HB ALA 3 -3.120 -0.411 2.562 12 HB3 ALA 3 2HB ALA 3 -4.681 -1.192 2.810 13 H LYS 4 H LYS 4 -2.954 1.499 6.062 14 HA LYS 4 HA LYS 4 -2.033 3.797 4.538 15 HB2 LYS 4 1HB LYS 4 -1.455 2.927 7.387 16 HB3 LYS 4 2HB LYS 4 -0.989 4.472 6.676 17 HG2 LYS 4 1HG LYS 4 -3.363 5.001 6.259 18 HG3 LYS 4 2HG LYS 4 -3.832 3.458 6.973 19 HD2 LYS 4 1HD LYS 4 -2.753 4.139 9.106 20 HD3 LYS 4 2HD LYS 4 -2.365 5.702 8.389 21 HE2 LYS 4 1HE LYS 4 -5.167 4.586 8.699 22 HE3 LYS 4 2HE LYS 4 -4.438 5.803 9.749 23 HZ1 LYS 4 3HZ LYS 4 -5.129 6.034 6.883 24 HZ2 LYS 4 1HZ LYS 4 -4.053 7.108 7.633 25 HZ3 LYS 4 2HZ LYS 4 -5.658 6.999 8.177 26 H GLU 5 H GLU 5 0.488 4.300 5.363 27 HA GLU 5 HA GLU 5 2.115 2.780 3.704 28 HB2 GLU 5 1HB GLU 5 2.743 4.992 4.575 29 HB3 GLU 5 2HB GLU 5 2.918 4.310 6.192 30 HG2 GLU 5 1HG GLU 5 4.725 2.859 5.438 31 HG3 GLU 5 2HG GLU 5 4.499 3.388 3.771 32 H GLY 6 H GLY 6 3.095 0.875 3.852 33 HA2 GLY 6 1HA GLY 6 3.989 -1.060 4.709 34 HA3 GLY 6 2HA GLY 6 3.945 -0.328 6.300 35 H GLU 7 H GLU 7 0.981 -0.411 4.504 36 HA GLU 7 HA GLU 7 0.005 -2.541 6.319 37 HB2 GLU 7 1HB GLU 7 -1.582 -0.399 4.893 38 HB3 GLU 7 2HB GLU 7 -2.222 -1.592 6.020 39 HG2 GLU 7 1HG GLU 7 -0.085 0.442 6.715 40 HG3 GLU 7 2HG GLU 7 -1.794 0.622 7.101 41 H VAL 8 H VAL 8 -1.355 -4.160 5.482 42 HA VAL 8 HA VAL 8 -0.583 -5.202 3.007 43 HB VAL 8 HB VAL 8 -3.027 -5.781 4.691 44 HG11 VAL 8 1HG1 VAL 8 -2.507 -8.059 3.273 45 HG12 VAL 8 2HG1 VAL 8 -2.113 -6.821 2.080 46 HG13 VAL 8 3HG1 VAL 8 -3.717 -6.861 2.811 47 HG21 VAL 8 3HG2 VAL 8 -1.732 -7.577 5.600 48 HG22 VAL 8 1HG2 VAL 8 -0.686 -6.158 5.642 49 HG23 VAL 8 2HG2 VAL 8 -0.471 -7.375 4.383 50 H CYS 9 H CYS 9 -1.219 -4.853 0.962 51 HA CYS 9 HA CYS 9 -3.807 -3.481 0.520 52 HB2 CYS 9 2HB CYS 9 -2.814 -2.042 -1.151 53 HB3 CYS 9 1HB CYS 9 -1.919 -1.851 0.357 54 H SER 10 H SER 10 -3.400 -3.316 -2.303 55 HA SER 10 HA SER 10 -3.741 -4.533 -4.213 56 HB2 SER 10 1HB SER 10 -1.482 -5.487 -3.527 57 HB3 SER 10 2HB SER 10 -2.365 -6.843 -2.833 58 HG SER 10 HG SER 10 -2.749 -5.947 -5.490 59 H TRP 11 H TRP 11 -3.810 -7.675 -3.470 60 HA TRP 11 HA TRP 11 -6.536 -8.042 -3.870 61 HB2 TRP 11 2HB TRP 11 -6.192 -10.328 -3.251 62 HB3 TRP 11 1HB TRP 11 -4.708 -9.789 -4.038 63 HD1 TRP 11 1HD TRP 11 -2.551 -9.427 -2.514 64 HE1 TRP 11 1HE TRP 11 -1.961 -10.250 -0.144 65 HE3 TRP 11 3HE TRP 11 -7.171 -10.883 -0.917 66 HZ2 TRP 11 2HZ TRP 11 -3.279 -11.380 2.132 67 HZ3 TRP 11 3HZ TRP 11 -7.479 -11.830 1.355 68 HH2 TRP 11 2HH TRP 11 -5.539 -12.079 2.881 69 H GLY 12 H GLY 12 -4.738 -7.508 -0.892 70 HA2 GLY 12 1HA GLY 12 -6.727 -8.301 0.939 71 HA3 GLY 12 2HA GLY 12 -5.442 -7.144 1.268 72 H LYS 13 H LYS 13 -6.065 -5.145 -0.579 73 HA LYS 13 HA LYS 13 -8.755 -4.329 -0.641 74 HB2 LYS 13 1HB LYS 13 -8.086 -4.233 1.941 75 HB3 LYS 13 2HB LYS 13 -7.363 -2.707 1.458 76 HG2 LYS 13 1HG LYS 13 -9.513 -1.962 0.519 77 HG3 LYS 13 2HG LYS 13 -10.244 -3.508 0.944 78 HD2 LYS 13 1HD LYS 13 -9.740 -3.078 3.333 79 HD3 LYS 13 2HD LYS 13 -9.068 -1.507 2.894 80 HE2 LYS 13 1HE LYS 13 -11.246 -0.827 1.962 81 HE3 LYS 13 2HE LYS 13 -11.922 -2.400 2.386 82 HZ1 LYS 13 3HZ LYS 13 -12.418 -0.687 4.045 83 HZ2 LYS 13 1HZ LYS 13 -10.758 -0.475 4.324 84 HZ3 LYS 13 2HZ LYS 13 -11.497 -1.957 4.697 85 H LYS 14 H LYS 14 -7.851 -1.487 0.168 86 HA LYS 14 HA LYS 14 -6.156 -0.905 -2.177 87 HB2 LYS 14 1HB LYS 14 -8.637 0.568 -1.246 88 HB3 LYS 14 2HB LYS 14 -7.530 1.141 -2.494 89 HG2 LYS 14 1HG LYS 14 -8.032 -0.706 -3.927 90 HG3 LYS 14 2HG LYS 14 -8.856 -1.571 -2.632 91 HD2 LYS 14 1HD LYS 14 -10.537 -0.631 -4.103 92 HD3 LYS 14 2HD LYS 14 -10.574 0.261 -2.583 93 HE2 LYS 14 1HE LYS 14 -9.329 2.095 -3.554 94 HE3 LYS 14 2HE LYS 14 -9.040 1.177 -5.033 95 HZ1 LYS 14 3HZ LYS 14 -11.010 1.781 -5.820 96 HZ2 LYS 14 1HZ LYS 14 -11.159 2.850 -4.512 97 HZ3 LYS 14 2HZ LYS 14 -11.808 1.283 -4.406 98 H CYS 15 H CYS 15 -4.607 0.579 -1.876 99 HA CYS 15 HA CYS 15 -3.937 1.288 0.835 100 HB2 CYS 15 2HB CYS 15 -2.337 0.646 -1.087 101 HB3 CYS 15 1HB CYS 15 -2.567 2.302 -1.637 102 H CYS 16 H CYS 16 -3.837 3.388 1.703 103 HA CYS 16 HA CYS 16 -5.898 5.135 1.014 104 HB2 CYS 16 2HB CYS 16 -3.372 5.548 2.614 105 HB3 CYS 16 1HB CYS 16 -4.641 6.764 2.498 106 H ASP 17 H ASP 17 -2.472 5.218 0.167 107 HA ASP 17 HA ASP 17 -3.111 7.242 -1.893 108 HB2 ASP 17 1HB ASP 17 -0.805 7.168 0.040 109 HB3 ASP 17 2HB ASP 17 -0.695 8.042 -1.488 110 H LEU 18 H LEU 18 -3.201 5.834 -3.583 111 HA LEU 18 HA LEU 18 -1.131 3.851 -3.995 112 HB2 LEU 18 1HB LEU 18 -3.530 4.713 -5.626 113 HB3 LEU 18 2HB LEU 18 -2.422 3.439 -6.131 114 HG LEU 18 HG LEU 18 -3.712 3.346 -3.400 115 HD11 LEU 18 1HD1 LEU 18 -5.564 3.585 -4.989 116 HD12 LEU 18 2HD1 LEU 18 -5.491 1.918 -4.410 117 HD13 LEU 18 3HD1 LEU 18 -4.873 2.323 -6.013 118 HD21 LEU 18 3HD2 LEU 18 -2.623 1.264 -5.332 119 HD22 LEU 18 1HD2 LEU 18 -3.452 0.873 -3.827 120 HD23 LEU 18 2HD2 LEU 18 -1.917 1.735 -3.789 121 H ASP 19 H ASP 19 -1.359 7.128 -4.525 122 HA ASP 19 HA ASP 19 0.167 7.147 -7.020 123 HB2 ASP 19 1HB ASP 19 -0.937 9.352 -5.274 124 HB3 ASP 19 2HB ASP 19 0.022 9.643 -6.724 125 H ASN 20 H ASN 20 0.626 7.617 -3.579 126 HA ASN 20 HA ASN 20 3.421 8.436 -4.027 127 HB2 ASN 20 1HB ASN 20 1.734 8.478 -1.519 128 HB3 ASN 20 2HB ASN 20 3.400 9.014 -1.619 129 HD21 ASN 20 1HD2 ASN 20 0.572 11.619 -2.423 130 HD22 ASN 20 2HD2 ASN 20 0.404 10.244 -1.450 131 H PHE 21 H PHE 21 1.511 5.738 -3.184 132 HA PHE 21 HA PHE 21 3.929 4.301 -2.279 133 HB2 PHE 21 2HB PHE 21 1.111 3.911 -1.254 134 HB3 PHE 21 1HB PHE 21 2.528 2.986 -0.765 135 HD1 PHE 21 1HD PHE 21 1.166 6.445 -0.888 136 HD2 PHE 21 2HD PHE 21 3.946 3.781 0.982 137 HE1 PHE 21 1HE PHE 21 1.629 8.150 0.850 138 HE2 PHE 21 2HE PHE 21 4.408 5.468 2.714 139 HZ PHE 21 HZ PHE 21 3.257 7.661 2.652 140 H TYR 22 H TYR 22 3.804 1.940 -2.651 141 HA TYR 22 HA TYR 22 2.015 1.223 -4.891 142 HB2 TYR 22 2HB TYR 22 3.826 0.212 -6.094 143 HB3 TYR 22 1HB TYR 22 4.356 1.831 -5.657 144 HD1 TYR 22 1HD TYR 22 4.702 -1.775 -4.882 145 HD2 TYR 22 2HD TYR 22 6.085 2.202 -4.087 146 HE1 TYR 22 1HE TYR 22 6.712 -2.676 -3.849 147 HE2 TYR 22 2HE TYR 22 8.087 1.283 -3.008 148 HH TYR 22 HH TYR 22 8.399 -1.686 -1.908 149 H CYS 23 H CYS 23 1.839 -1.109 -5.219 150 HA CYS 23 HA CYS 23 1.914 -2.535 -2.662 151 HB2 CYS 23 2HB CYS 23 0.298 -2.900 -5.158 152 HB3 CYS 23 1HB CYS 23 0.382 -4.136 -3.906 153 HA PRO 24 HA PRO 24 5.587 -4.590 -4.511 154 HB2 PRO 24 2HB PRO 24 5.093 -6.272 -2.086 155 HB3 PRO 24 1HB PRO 24 6.609 -5.579 -2.684 156 HG2 PRO 24 2HG PRO 24 5.385 -4.508 -0.628 157 HG3 PRO 24 1HG PRO 24 6.146 -3.496 -1.845 158 HD2 PRO 24 2HD PRO 24 3.248 -4.044 -1.396 159 HD3 PRO 24 1HD PRO 24 4.046 -2.566 -1.955 160 H MET 25 H MET 25 5.930 -6.566 -5.553 161 HA MET 25 HA MET 25 3.509 -8.057 -6.179 162 HB2 MET 25 1HB MET 25 4.904 -9.147 -7.895 163 HB3 MET 25 2HB MET 25 4.983 -7.391 -8.013 164 HG2 MET 25 1HG MET 25 7.103 -7.409 -6.731 165 HG3 MET 25 2HG MET 25 7.035 -9.169 -6.660 166 HE1 MET 25 3HE MET 25 7.628 -10.725 -8.300 167 HE2 MET 25 1HE MET 25 7.876 -10.468 -10.031 168 HE3 MET 25 2HE MET 25 6.259 -10.356 -9.346 169 H GLU 26 H GLU 26 4.401 -8.421 -3.512 170 HA GLU 26 HA GLU 26 5.554 -11.120 -3.515 171 HB2 GLU 26 1HB GLU 26 5.247 -9.048 -1.338 172 HB3 GLU 26 2HB GLU 26 5.790 -10.700 -1.036 173 HG2 GLU 26 1HG GLU 26 7.682 -10.401 -2.537 174 HG3 GLU 26 2HG GLU 26 7.110 -8.795 -2.987 175 H PHE 27 H PHE 27 4.651 -12.314 -1.428 176 HA PHE 27 HA PHE 27 2.056 -13.169 -2.072 177 HB2 PHE 27 2HB PHE 27 3.699 -14.546 -0.825 178 HB3 PHE 27 1HB PHE 27 3.502 -13.485 0.572 179 HD1 PHE 27 1HD PHE 27 1.473 -15.524 -1.829 180 HD2 PHE 27 2HD PHE 27 1.869 -14.012 2.170 181 HE1 PHE 27 1HE PHE 27 -0.519 -16.829 -1.139 182 HE2 PHE 27 2HE PHE 27 -0.127 -15.311 2.860 183 HZ PHE 27 HZ PHE 27 -1.320 -16.723 1.205 184 H ILE 28 H ILE 28 3.218 -11.026 0.506 185 HA ILE 28 HA ILE 28 0.452 -10.030 0.844 186 HB ILE 28 HB ILE 28 1.423 -9.447 3.229 187 HG12 ILE 28 1HG1 ILE 28 2.948 -11.965 2.500 188 HG13 ILE 28 2HG1 ILE 28 3.688 -10.368 2.587 189 HG21 ILE 28 1HG2 ILE 28 -0.541 -10.818 2.860 190 HG22 ILE 28 2HG2 ILE 28 0.509 -11.653 4.006 191 HG23 ILE 28 3HG2 ILE 28 0.453 -12.167 2.319 192 HD11 ILE 28 3HD1 ILE 28 3.222 -12.182 4.724 193 HD12 ILE 28 1HD1 ILE 28 2.152 -10.804 4.975 194 HD13 ILE 28 2HD1 ILE 28 3.891 -10.554 4.817 195 HA PRO 29 HA PRO 29 3.177 -6.594 -0.740 196 HB2 PRO 29 2HB PRO 29 0.451 -5.618 -1.431 197 HB3 PRO 29 1HB PRO 29 1.916 -5.664 -2.427 198 HG2 PRO 29 2HG PRO 29 -0.082 -7.366 -2.822 199 HG3 PRO 29 1HG PRO 29 1.603 -7.887 -2.994 200 HD2 PRO 29 2HD PRO 29 -0.318 -8.428 -0.767 201 HD3 PRO 29 1HD PRO 29 0.958 -9.469 -1.437 202 H HIS 30 H HIS 30 3.615 -4.698 0.321 203 HA HIS 30 HA HIS 30 1.559 -3.683 2.186 204 HB2 HIS 30 1HB HIS 30 4.516 -3.935 2.762 205 HB3 HIS 30 2HB HIS 30 3.366 -3.061 3.764 206 HD1 HIS 30 HD1 HIS 30 4.358 -6.535 2.758 207 HD2 HIS 30 HD2 HIS 30 1.537 -4.678 5.203 208 HE1 HIS 30 HE1 HIS 30 3.334 -8.361 4.184 209 H CYS 31 H CYS 31 1.166 -1.564 2.093 210 HA CYS 31 HA CYS 31 1.911 0.002 -0.052 211 HB2 CYS 31 2HB CYS 31 1.176 0.846 2.755 212 HB3 CYS 31 1HB CYS 31 1.294 1.963 1.403 213 H LYS 32 H LYS 32 3.799 0.818 -0.678 214 HA LYS 32 HA LYS 32 5.784 1.563 1.375 215 HB2 LYS 32 1HB LYS 32 6.439 -0.600 0.448 216 HB3 LYS 32 2HB LYS 32 6.304 0.032 -1.177 217 HG2 LYS 32 1HG LYS 32 8.658 -0.005 -0.441 218 HG3 LYS 32 2HG LYS 32 8.121 1.647 -0.712 219 HD2 LYS 32 1HD LYS 32 8.019 2.132 1.578 220 HD3 LYS 32 2HD LYS 32 7.900 0.430 2.031 221 HE2 LYS 32 1HE LYS 32 10.140 1.311 2.554 222 HE3 LYS 32 2HE LYS 32 10.236 0.082 1.292 223 HZ1 LYS 32 3HZ LYS 32 9.937 2.913 0.547 224 HZ2 LYS 32 1HZ LYS 32 10.651 1.643 -0.323 225 HZ3 LYS 32 2HZ LYS 32 11.466 2.326 1.001 226 H LYS 33 H LYS 33 6.556 3.551 1.126 227 HA LYS 33 HA LYS 33 5.615 5.236 -0.954 228 HB2 LYS 33 1HB LYS 33 6.217 5.963 1.360 229 HB3 LYS 33 2HB LYS 33 7.911 5.772 0.940 230 HG2 LYS 33 1HG LYS 33 7.938 7.765 -0.111 231 HG3 LYS 33 2HG LYS 33 6.565 7.301 -1.108 232 HD2 LYS 33 1HD LYS 33 6.144 9.343 0.285 233 HD3 LYS 33 2HD LYS 33 5.003 8.033 0.581 234 HE2 LYS 33 1HE LYS 33 5.671 7.787 2.720 235 HE3 LYS 33 2HE LYS 33 7.379 7.877 2.286 236 HZ1 LYS 33 3HZ LYS 33 5.623 10.262 2.344 237 HZ2 LYS 33 1HZ LYS 33 7.319 10.216 2.282 238 HZ3 LYS 33 2HZ LYS 33 6.507 9.744 3.700 239 H TYR 34 H TYR 34 6.495 5.918 -2.771 240 HA TYR 34 HA TYR 34 9.274 5.522 -3.435 241 HB2 TYR 34 2HB TYR 34 8.987 4.021 -5.206 242 HB3 TYR 34 1HB TYR 34 8.035 3.348 -3.902 243 HD1 TYR 34 1HD TYR 34 7.865 3.122 -7.071 244 HD2 TYR 34 2HD TYR 34 5.609 5.262 -4.101 245 HE1 TYR 34 1HE TYR 34 5.891 3.152 -8.564 246 HE2 TYR 34 2HE TYR 34 3.661 5.287 -5.587 247 HH TYR 34 HH TYR 34 3.496 5.118 -8.404 248 H LYS 35 H LYS 35 9.759 6.381 -5.599 249 HA LYS 35 HA LYS 35 9.823 8.363 -6.807 250 HB2 LYS 35 1HB LYS 35 7.343 6.845 -7.509 251 HB3 LYS 35 2HB LYS 35 7.676 8.385 -8.287 252 HG2 LYS 35 1HG LYS 35 8.600 6.514 -9.606 253 HG3 LYS 35 2HG LYS 35 9.880 7.568 -9.014 254 HD2 LYS 35 1HD LYS 35 10.425 6.037 -7.237 255 HD3 LYS 35 2HD LYS 35 9.008 5.050 -7.585 256 HE2 LYS 35 1HE LYS 35 9.940 4.493 -9.800 257 HE3 LYS 35 2HE LYS 35 11.350 5.493 -9.458 258 HZ1 LYS 35 3HZ LYS 35 12.121 3.467 -8.810 259 HZ2 LYS 35 1HZ LYS 35 10.595 2.893 -8.341 260 HZ3 LYS 35 2HZ LYS 35 11.440 3.974 -7.341 261 HA PRO 36 HA PRO 36 6.917 10.677 -3.924 262 HB2 PRO 36 2HB PRO 36 8.807 11.954 -2.442 263 HB3 PRO 36 1HB PRO 36 8.201 10.337 -2.035 264 HG2 PRO 36 2HG PRO 36 10.717 11.116 -3.429 265 HG3 PRO 36 1HG PRO 36 10.455 9.883 -2.184 266 HD2 PRO 36 2HD PRO 36 10.654 9.280 -4.841 267 HD3 PRO 36 1HD PRO 36 9.684 8.319 -3.706 268 H TYR 37 H TYR 37 6.481 12.922 -3.986 269 HA TYR 37 HA TYR 37 8.017 14.424 -6.022 270 HB2 TYR 37 2HB TYR 37 5.075 14.551 -5.333 271 HB3 TYR 37 1HB TYR 37 5.887 15.590 -6.505 272 HD1 TYR 37 1HD TYR 37 4.837 12.124 -5.750 273 HD2 TYR 37 2HD TYR 37 6.604 14.745 -8.661 274 HE1 TYR 37 1HE TYR 37 4.570 10.376 -7.487 275 HE2 TYR 37 2HE TYR 37 6.339 12.993 -10.398 276 HH TYR 37 HH TYR 37 6.164 10.288 -10.267 277 H VAL 38 H VAL 38 5.599 16.230 -4.646 278 HA VAL 38 HA VAL 38 7.358 17.344 -2.554 279 HB VAL 38 HB VAL 38 5.736 19.013 -4.481 280 HG11 VAL 38 1HG1 VAL 38 7.210 20.818 -3.519 281 HG12 VAL 38 2HG1 VAL 38 7.800 19.639 -2.349 282 HG13 VAL 38 3HG1 VAL 38 6.098 20.106 -2.350 283 HG21 VAL 38 3HG2 VAL 38 7.526 17.967 -5.736 284 HG22 VAL 38 1HG2 VAL 38 8.684 18.296 -4.446 285 HG23 VAL 38 2HG2 VAL 38 8.015 19.627 -5.389 286 HA PRO 39 HA PRO 39 2.977 16.658 -1.102 287 HB2 PRO 39 2HB PRO 39 3.553 15.133 1.072 288 HB3 PRO 39 1HB PRO 39 3.368 14.450 -0.557 289 HG2 PRO 39 2HG PRO 39 5.850 15.075 0.962 290 HG3 PRO 39 1HG PRO 39 5.480 13.693 -0.082 291 HD2 PRO 39 2HD PRO 39 6.981 15.847 -0.888 292 HD3 PRO 39 1HD PRO 39 6.056 14.824 -2.008 293 H VAL 40 H VAL 40 1.947 17.508 0.808 294 HA VAL 40 HA VAL 40 3.320 19.781 1.914 295 HB VAL 40 HB VAL 40 0.596 18.596 2.493 296 HG11 VAL 40 1HG1 VAL 40 0.865 19.860 4.391 297 HG12 VAL 40 2HG1 VAL 40 0.416 21.164 3.290 298 HG13 VAL 40 3HG1 VAL 40 2.116 20.870 3.666 299 HG21 VAL 40 3HG2 VAL 40 1.275 19.672 0.188 300 HG22 VAL 40 1HG2 VAL 40 1.160 21.188 1.081 301 HG23 VAL 40 2HG2 VAL 40 -0.247 20.134 0.948 302 H THR 41 H THR 41 4.472 19.866 3.725 303 HA THR 41 HA THR 41 3.871 18.107 5.967 304 HB THR 41 HB THR 41 5.437 16.791 4.549 305 HG1 THR 41 1HG THR 41 6.790 16.317 6.248 306 HG21 THR 41 3HG2 THR 41 7.659 17.560 4.123 307 HG22 THR 41 1HG2 THR 41 7.452 18.952 5.186 308 HG23 THR 41 2HG2 THR 41 6.586 18.878 3.651 309 H THR 42 H THR 42 4.965 18.748 7.924 310 HA THR 42 HA THR 42 5.376 21.615 8.042 311 HB THR 42 HB THR 42 5.758 19.693 10.329 312 HG1 THR 42 1HG THR 42 3.281 20.855 9.763 313 HG21 THR 42 3HG2 THR 42 5.237 21.554 11.674 314 HG22 THR 42 1HG2 THR 42 4.494 22.428 10.334 315 HG23 THR 42 2HG2 THR 42 6.245 22.235 10.398 Start of MODEL 5 1 HA ASP 1 HA ASP 1 -10.834 3.410 6.407 2 HB2 ASP 1 1HB ASP 1 -11.328 0.427 6.355 3 HB3 ASP 1 2HB ASP 1 -9.833 1.124 6.976 4 H CYS 2 H CYS 2 -8.518 2.474 5.903 5 HA CYS 2 HA CYS 2 -8.175 1.611 3.146 6 HB2 CYS 2 2HB CYS 2 -6.884 3.516 2.436 7 HB3 CYS 2 1HB CYS 2 -8.449 4.101 3.009 8 H ALA 3 H ALA 3 -5.765 1.483 2.629 9 HA ALA 3 HA ALA 3 -4.412 0.364 4.981 10 HB1 ALA 3 3HB ALA 3 -3.005 0.054 2.463 11 HB2 ALA 3 1HB ALA 3 -4.672 -0.514 2.346 12 HB3 ALA 3 2HB ALA 3 -3.596 -1.180 3.576 13 H LYS 4 H LYS 4 -2.621 1.236 5.848 14 HA LYS 4 HA LYS 4 -1.623 3.749 4.687 15 HB2 LYS 4 1HB LYS 4 -1.245 2.533 7.437 16 HB3 LYS 4 2HB LYS 4 -0.577 4.077 6.915 17 HG2 LYS 4 1HG LYS 4 -2.847 4.922 6.472 18 HG3 LYS 4 2HG LYS 4 -3.526 3.376 6.986 19 HD2 LYS 4 1HD LYS 4 -2.495 3.692 9.224 20 HD3 LYS 4 2HD LYS 4 -1.896 5.268 8.706 21 HE2 LYS 4 1HE LYS 4 -4.819 4.460 8.751 22 HE3 LYS 4 2HE LYS 4 -4.028 5.443 9.984 23 HZ1 LYS 4 3HZ LYS 4 -4.610 6.110 7.175 24 HZ2 LYS 4 1HZ LYS 4 -3.343 6.891 7.987 25 HZ3 LYS 4 2HZ LYS 4 -4.932 7.010 8.578 26 H GLU 5 H GLU 5 0.879 3.899 5.750 27 HA GLU 5 HA GLU 5 2.413 2.337 3.946 28 HB2 GLU 5 1HB GLU 5 3.105 4.569 4.755 29 HB3 GLU 5 2HB GLU 5 3.342 3.893 6.366 30 HG2 GLU 5 1HG GLU 5 5.044 2.348 5.490 31 HG3 GLU 5 2HG GLU 5 4.785 2.971 3.863 32 H GLY 6 H GLY 6 3.236 0.375 4.124 33 HA2 GLY 6 1HA GLY 6 4.262 -1.458 5.154 34 HA3 GLY 6 2HA GLY 6 3.908 -0.763 6.713 35 H GLU 7 H GLU 7 1.066 -0.439 5.213 36 HA GLU 7 HA GLU 7 0.011 -2.878 6.428 37 HB2 GLU 7 1HB GLU 7 -1.369 -0.450 5.268 38 HB3 GLU 7 2HB GLU 7 -2.205 -1.825 5.988 39 HG2 GLU 7 1HG GLU 7 -0.936 -1.441 8.101 40 HG3 GLU 7 2HG GLU 7 -0.211 -0.008 7.373 41 H VAL 8 H VAL 8 -1.325 -4.341 5.320 42 HA VAL 8 HA VAL 8 -0.430 -5.074 2.778 43 HB VAL 8 HB VAL 8 -2.947 -5.848 4.255 44 HG11 VAL 8 1HG1 VAL 8 -2.788 -7.859 2.649 45 HG12 VAL 8 2HG1 VAL 8 -1.745 -6.832 1.665 46 HG13 VAL 8 3HG1 VAL 8 -3.410 -6.350 1.983 47 HG21 VAL 8 3HG2 VAL 8 -0.871 -6.497 5.378 48 HG22 VAL 8 1HG2 VAL 8 -0.250 -7.188 3.880 49 HG23 VAL 8 2HG2 VAL 8 -1.636 -7.926 4.683 50 H CYS 9 H CYS 9 -1.187 -4.753 0.690 51 HA CYS 9 HA CYS 9 -3.547 -2.970 0.432 52 HB2 CYS 9 2HB CYS 9 -2.419 -1.777 -1.371 53 HB3 CYS 9 1HB CYS 9 -1.445 -1.696 0.099 54 H SER 10 H SER 10 -4.504 -3.032 -1.765 55 HA SER 10 HA SER 10 -5.494 -4.215 -3.468 56 HB2 SER 10 1HB SER 10 -3.058 -4.254 -4.211 57 HB3 SER 10 2HB SER 10 -2.982 -5.878 -3.539 58 HG SER 10 HG SER 10 -4.137 -6.587 -5.154 59 H TRP 11 H TRP 11 -4.853 -7.064 -4.039 60 HA TRP 11 HA TRP 11 -5.835 -9.081 -3.538 61 HB2 TRP 11 2HB TRP 11 -4.134 -8.295 -1.370 62 HB3 TRP 11 1HB TRP 11 -5.505 -9.192 -0.737 63 HD1 TRP 11 1HD TRP 11 -2.206 -9.915 -1.705 64 HE1 TRP 11 1HE TRP 11 -1.938 -12.279 -2.704 65 HE3 TRP 11 3HE TRP 11 -7.079 -10.971 -2.754 66 HZ2 TRP 11 2HZ TRP 11 -3.584 -14.346 -3.810 67 HZ3 TRP 11 3HZ TRP 11 -7.709 -13.143 -3.783 68 HH2 TRP 11 2HH TRP 11 -5.966 -14.829 -4.311 69 H GLY 12 H GLY 12 -7.371 -6.444 -3.076 70 HA2 GLY 12 1HA GLY 12 -9.832 -6.668 -2.912 71 HA3 GLY 12 2HA GLY 12 -9.564 -7.652 -1.481 72 H LYS 13 H LYS 13 -7.279 -5.276 -1.434 73 HA LYS 13 HA LYS 13 -8.986 -3.410 0.103 74 HB2 LYS 13 1HB LYS 13 -6.183 -4.329 0.782 75 HB3 LYS 13 2HB LYS 13 -7.098 -3.094 1.646 76 HG2 LYS 13 1HG LYS 13 -8.806 -4.705 2.262 77 HG3 LYS 13 2HG LYS 13 -8.046 -5.946 1.269 78 HD2 LYS 13 1HD LYS 13 -7.387 -6.381 3.537 79 HD3 LYS 13 2HD LYS 13 -5.981 -5.700 2.722 80 HE2 LYS 13 1HE LYS 13 -6.328 -3.549 3.729 81 HE3 LYS 13 2HE LYS 13 -7.923 -4.013 4.323 82 HZ1 LYS 13 3HZ LYS 13 -6.678 -4.348 6.179 83 HZ2 LYS 13 1HZ LYS 13 -5.268 -4.735 5.318 84 HZ3 LYS 13 2HZ LYS 13 -6.511 -5.883 5.472 85 H LYS 14 H LYS 14 -8.363 -1.200 0.047 86 HA LYS 14 HA LYS 14 -6.494 -0.524 -2.151 87 HB2 LYS 14 1HB LYS 14 -8.974 0.923 -1.185 88 HB3 LYS 14 2HB LYS 14 -7.875 1.526 -2.424 89 HG2 LYS 14 1HG LYS 14 -8.329 -0.483 -3.799 90 HG3 LYS 14 2HG LYS 14 -9.441 -1.069 -2.561 91 HD2 LYS 14 1HD LYS 14 -10.829 0.959 -2.851 92 HD3 LYS 14 2HD LYS 14 -9.729 1.524 -4.108 93 HE2 LYS 14 1HE LYS 14 -11.272 -1.086 -4.211 94 HE3 LYS 14 2HE LYS 14 -11.737 0.393 -5.054 95 HZ1 LYS 14 3HZ LYS 14 -10.380 -0.181 -6.686 96 HZ2 LYS 14 1HZ LYS 14 -9.875 -1.562 -5.840 97 HZ3 LYS 14 2HZ LYS 14 -9.057 -0.088 -5.626 98 H CYS 15 H CYS 15 -4.804 0.685 -1.658 99 HA CYS 15 HA CYS 15 -4.307 1.440 1.065 100 HB2 CYS 15 2HB CYS 15 -2.627 0.677 -0.747 101 HB3 CYS 15 1HB CYS 15 -2.700 2.342 -1.302 102 H CYS 16 H CYS 16 -4.306 3.465 1.967 103 HA CYS 16 HA CYS 16 -6.135 5.358 1.167 104 HB2 CYS 16 2HB CYS 16 -4.140 5.120 3.189 105 HB3 CYS 16 1HB CYS 16 -4.036 6.738 2.498 106 H ASP 17 H ASP 17 -2.761 5.072 0.243 107 HA ASP 17 HA ASP 17 -3.224 7.128 -1.819 108 HB2 ASP 17 1HB ASP 17 -0.920 6.981 0.119 109 HB3 ASP 17 2HB ASP 17 -0.827 7.875 -1.397 110 H LEU 18 H LEU 18 -3.450 5.371 -3.295 111 HA LEU 18 HA LEU 18 -1.394 3.417 -3.641 112 HB2 LEU 18 1HB LEU 18 -3.724 4.304 -5.338 113 HB3 LEU 18 2HB LEU 18 -2.608 3.044 -5.862 114 HG LEU 18 HG LEU 18 -3.928 2.916 -3.152 115 HD11 LEU 18 1HD1 LEU 18 -5.623 1.410 -4.256 116 HD12 LEU 18 2HD1 LEU 18 -5.034 1.991 -5.813 117 HD13 LEU 18 3HD1 LEU 18 -5.782 3.115 -4.675 118 HD21 LEU 18 3HD2 LEU 18 -2.996 0.841 -3.053 119 HD22 LEU 18 1HD2 LEU 18 -1.994 1.348 -4.409 120 HD23 LEU 18 2HD2 LEU 18 -3.484 0.462 -4.700 121 H ASP 19 H ASP 19 -1.770 6.676 -4.628 122 HA ASP 19 HA ASP 19 -0.096 6.533 -6.964 123 HB2 ASP 19 1HB ASP 19 -1.814 8.275 -6.673 124 HB3 ASP 19 2HB ASP 19 -0.915 8.918 -5.300 125 H ASN 20 H ASN 20 0.366 7.766 -3.645 126 HA ASN 20 HA ASN 20 3.175 8.279 -4.115 127 HB2 ASN 20 1HB ASN 20 1.490 8.374 -1.608 128 HB3 ASN 20 2HB ASN 20 3.179 8.845 -1.676 129 HD21 ASN 20 1HD2 ASN 20 0.475 11.547 -2.511 130 HD22 ASN 20 2HD2 ASN 20 0.253 10.183 -1.540 131 H PHE 21 H PHE 21 1.315 5.566 -3.232 132 HA PHE 21 HA PHE 21 3.761 4.188 -2.317 133 HB2 PHE 21 2HB PHE 21 0.934 3.757 -1.344 134 HB3 PHE 21 1HB PHE 21 2.321 2.769 -0.902 135 HD1 PHE 21 1HD PHE 21 1.169 6.334 -0.918 136 HD2 PHE 21 2HD PHE 21 3.625 3.358 0.952 137 HE1 PHE 21 1HE PHE 21 1.742 7.939 0.872 138 HE2 PHE 21 2HE PHE 21 4.207 4.963 2.739 139 HZ PHE 21 HZ PHE 21 3.269 7.258 2.700 140 H TYR 22 H TYR 22 3.864 1.920 -2.828 141 HA TYR 22 HA TYR 22 2.119 1.120 -5.084 142 HB2 TYR 22 2HB TYR 22 4.015 0.214 -6.244 143 HB3 TYR 22 1HB TYR 22 4.455 1.841 -5.767 144 HD1 TYR 22 1HD TYR 22 4.829 -1.749 -4.846 145 HD2 TYR 22 2HD TYR 22 6.211 2.272 -4.315 146 HE1 TYR 22 1HE TYR 22 6.832 -2.581 -3.751 147 HE2 TYR 22 2HE TYR 22 8.200 1.433 -3.175 148 HH TYR 22 HH TYR 22 8.664 -2.067 -2.631 149 H CYS 23 H CYS 23 2.070 -1.238 -5.421 150 HA CYS 23 HA CYS 23 2.122 -2.630 -2.848 151 HB2 CYS 23 2HB CYS 23 0.605 -3.142 -5.378 152 HB3 CYS 23 1HB CYS 23 0.688 -4.307 -4.061 153 HA PRO 24 HA PRO 24 5.912 -4.603 -4.515 154 HB2 PRO 24 2HB PRO 24 5.493 -6.251 -2.068 155 HB3 PRO 24 1HB PRO 24 6.944 -5.405 -2.622 156 HG2 PRO 24 2HG PRO 24 5.482 -4.480 -0.621 157 HG3 PRO 24 1HG PRO 24 6.290 -3.416 -1.751 158 HD2 PRO 24 2HD PRO 24 3.400 -4.080 -1.521 159 HD3 PRO 24 1HD PRO 24 4.189 -2.587 -2.065 160 H MET 25 H MET 25 6.360 -6.603 -5.470 161 HA MET 25 HA MET 25 4.013 -8.208 -6.095 162 HB2 MET 25 1HB MET 25 6.867 -8.492 -7.065 163 HB3 MET 25 2HB MET 25 5.455 -9.312 -7.729 164 HG2 MET 25 1HG MET 25 5.838 -6.305 -7.651 165 HG3 MET 25 2HG MET 25 6.085 -7.318 -9.070 166 HE1 MET 25 3HE MET 25 4.591 -5.670 -10.243 167 HE2 MET 25 1HE MET 25 4.003 -4.758 -8.847 168 HE3 MET 25 2HE MET 25 2.861 -5.454 -9.994 169 H GLU 26 H GLU 26 3.959 -8.852 -3.716 170 HA GLU 26 HA GLU 26 5.392 -11.396 -3.426 171 HB2 GLU 26 1HB GLU 26 5.170 -9.200 -1.362 172 HB3 GLU 26 2HB GLU 26 5.618 -10.861 -0.965 173 HG2 GLU 26 1HG GLU 26 7.563 -10.748 -2.398 174 HG3 GLU 26 2HG GLU 26 7.071 -9.174 -3.021 175 H PHE 27 H PHE 27 4.407 -12.536 -1.403 176 HA PHE 27 HA PHE 27 1.736 -13.177 -1.998 177 HB2 PHE 27 2HB PHE 27 3.291 -14.708 -0.820 178 HB3 PHE 27 1HB PHE 27 3.215 -13.663 0.601 179 HD1 PHE 27 1HD PHE 27 1.066 -15.636 -1.736 180 HD2 PHE 27 2HD PHE 27 1.474 -13.915 2.178 181 HE1 PHE 27 1HE PHE 27 -1.018 -16.773 -1.020 182 HE2 PHE 27 2HE PHE 27 -0.611 -15.051 2.894 183 HZ PHE 27 HZ PHE 27 -1.856 -16.480 1.295 184 H ILE 28 H ILE 28 3.145 -11.036 0.414 185 HA ILE 28 HA ILE 28 0.457 -9.937 0.959 186 HB ILE 28 HB ILE 28 1.698 -9.400 3.277 187 HG12 ILE 28 1HG1 ILE 28 2.950 -11.433 3.991 188 HG13 ILE 28 2HG1 ILE 28 2.878 -12.047 2.344 189 HG21 ILE 28 1HG2 ILE 28 0.150 -11.828 2.388 190 HG22 ILE 28 2HG2 ILE 28 -0.422 -10.420 3.284 191 HG23 ILE 28 3HG2 ILE 28 0.614 -11.608 4.075 192 HD11 ILE 28 3HD1 ILE 28 5.036 -10.916 2.813 193 HD12 ILE 28 1HD1 ILE 28 4.164 -9.431 3.178 194 HD13 ILE 28 2HD1 ILE 28 4.138 -10.088 1.545 195 HA PRO 29 HA PRO 29 3.347 -6.668 -0.737 196 HB2 PRO 29 2HB PRO 29 0.685 -5.665 -1.592 197 HB3 PRO 29 1HB PRO 29 2.185 -5.793 -2.515 198 HG2 PRO 29 2HG PRO 29 0.175 -7.465 -2.927 199 HG3 PRO 29 1HG PRO 29 1.856 -8.039 -2.977 200 HD2 PRO 29 2HD PRO 29 -0.197 -8.377 -0.816 201 HD3 PRO 29 1HD PRO 29 1.045 -9.512 -1.379 202 H HIS 30 H HIS 30 3.788 -4.729 0.250 203 HA HIS 30 HA HIS 30 1.737 -3.678 2.119 204 HB2 HIS 30 1HB HIS 30 4.740 -3.740 2.472 205 HB3 HIS 30 2HB HIS 30 3.646 -2.820 3.477 206 HD1 HIS 30 HD1 HIS 30 5.210 -6.051 3.334 207 HD2 HIS 30 HD2 HIS 30 1.512 -4.629 4.623 208 HE1 HIS 30 HE1 HIS 30 4.249 -7.828 4.864 209 H CYS 31 H CYS 31 1.515 -1.432 2.271 210 HA CYS 31 HA CYS 31 2.055 -0.020 -0.156 211 HB2 CYS 31 2HB CYS 31 0.408 0.363 2.082 212 HB3 CYS 31 1HB CYS 31 1.468 1.749 2.028 213 H LYS 32 H LYS 32 4.091 0.473 -0.687 214 HA LYS 32 HA LYS 32 5.857 1.655 1.389 215 HB2 LYS 32 1HB LYS 32 6.593 0.371 -1.231 216 HB3 LYS 32 2HB LYS 32 7.727 0.977 -0.037 217 HG2 LYS 32 1HG LYS 32 5.733 -1.253 0.365 218 HG3 LYS 32 2HG LYS 32 7.456 -1.464 0.119 219 HD2 LYS 32 1HD LYS 32 7.662 0.177 2.178 220 HD3 LYS 32 2HD LYS 32 6.015 -0.359 2.516 221 HE2 LYS 32 1HE LYS 32 7.522 -1.819 3.712 222 HE3 LYS 32 2HE LYS 32 6.841 -2.735 2.369 223 HZ1 LYS 32 3HZ LYS 32 9.394 -2.727 2.802 224 HZ2 LYS 32 1HZ LYS 32 9.338 -1.258 1.956 225 HZ3 LYS 32 2HZ LYS 32 8.791 -2.685 1.214 226 H LYS 33 H LYS 33 6.377 3.735 1.204 227 HA LYS 33 HA LYS 33 5.297 5.333 -0.890 228 HB2 LYS 33 1HB LYS 33 6.042 5.873 1.640 229 HB3 LYS 33 2HB LYS 33 7.493 6.406 0.808 230 HG2 LYS 33 1HG LYS 33 6.229 7.949 -0.565 231 HG3 LYS 33 2HG LYS 33 4.700 7.325 0.058 232 HD2 LYS 33 1HD LYS 33 5.493 8.025 2.376 233 HD3 LYS 33 2HD LYS 33 6.803 8.887 1.568 234 HE2 LYS 33 1HE LYS 33 5.202 10.218 0.301 235 HE3 LYS 33 2HE LYS 33 3.855 9.305 0.989 236 HZ1 LYS 33 3HZ LYS 33 5.661 10.423 2.943 237 HZ2 LYS 33 1HZ LYS 33 3.966 10.442 2.897 238 HZ3 LYS 33 2HZ LYS 33 4.851 11.591 2.011 239 H TYR 34 H TYR 34 6.141 5.934 -2.759 240 HA TYR 34 HA TYR 34 9.015 5.950 -3.215 241 HB2 TYR 34 2HB TYR 34 9.013 4.419 -4.976 242 HB3 TYR 34 1HB TYR 34 8.006 3.646 -3.768 243 HD1 TYR 34 1HD TYR 34 8.195 3.900 -7.092 244 HD2 TYR 34 2HD TYR 34 5.398 4.941 -3.997 245 HE1 TYR 34 1HE TYR 34 6.341 3.819 -8.723 246 HE2 TYR 34 2HE TYR 34 3.562 4.845 -5.623 247 HH TYR 34 HH TYR 34 3.040 4.729 -7.786 248 H LYS 35 H LYS 35 9.561 6.985 -5.232 249 HA LYS 35 HA LYS 35 9.436 9.018 -6.355 250 HB2 LYS 35 1HB LYS 35 7.474 7.070 -7.473 251 HB3 LYS 35 2HB LYS 35 7.522 8.697 -8.133 252 HG2 LYS 35 1HG LYS 35 9.034 7.185 -9.372 253 HG3 LYS 35 2HG LYS 35 9.923 8.482 -8.578 254 HD2 LYS 35 1HD LYS 35 10.578 7.014 -6.770 255 HD3 LYS 35 2HD LYS 35 9.543 5.728 -7.381 256 HE2 LYS 35 1HE LYS 35 10.890 5.573 -9.420 257 HE3 LYS 35 2HE LYS 35 11.899 6.912 -8.874 258 HZ1 LYS 35 3HZ LYS 35 11.561 4.359 -7.401 259 HZ2 LYS 35 1HZ LYS 35 12.626 5.620 -7.014 260 HZ3 LYS 35 2HZ LYS 35 12.870 4.707 -8.426 261 HA PRO 36 HA PRO 36 5.967 10.599 -3.548 262 HB2 PRO 36 2HB PRO 36 8.078 12.697 -3.318 263 HB3 PRO 36 1HB PRO 36 7.034 12.005 -2.064 264 HG2 PRO 36 2HG PRO 36 9.594 11.322 -2.263 265 HG3 PRO 36 1HG PRO 36 8.353 10.145 -1.800 266 HD2 PRO 36 2HD PRO 36 9.816 10.418 -4.387 267 HD3 PRO 36 1HD PRO 36 9.159 8.965 -3.601 268 H TYR 37 H TYR 37 8.109 12.859 -5.240 269 HA TYR 37 HA TYR 37 5.906 13.669 -6.999 270 HB2 TYR 37 2HB TYR 37 7.486 15.600 -5.283 271 HB3 TYR 37 1HB TYR 37 6.332 16.056 -6.539 272 HD1 TYR 37 1HD TYR 37 6.736 14.609 -3.185 273 HD2 TYR 37 2HD TYR 37 3.927 15.677 -6.254 274 HE1 TYR 37 1HE TYR 37 4.876 14.362 -1.566 275 HE2 TYR 37 2HE TYR 37 2.065 15.436 -4.633 276 HH TYR 37 HH TYR 37 1.643 14.193 -2.487 277 H VAL 38 H VAL 38 6.625 14.978 -8.829 278 HA VAL 38 HA VAL 38 9.507 14.686 -9.423 279 HB VAL 38 HB VAL 38 8.928 14.109 -11.739 280 HG11 VAL 38 1HG1 VAL 38 9.280 12.348 -10.003 281 HG12 VAL 38 2HG1 VAL 38 8.182 11.830 -11.284 282 HG13 VAL 38 3HG1 VAL 38 7.539 12.324 -9.717 283 HG21 VAL 38 3HG2 VAL 38 6.308 14.937 -10.830 284 HG22 VAL 38 1HG2 VAL 38 6.236 13.295 -11.473 285 HG23 VAL 38 2HG2 VAL 38 6.856 14.608 -12.474 286 HA PRO 39 HA PRO 39 7.911 19.007 -10.223 287 HB2 PRO 39 2HB PRO 39 9.660 20.324 -8.599 288 HB3 PRO 39 1HB PRO 39 8.116 19.668 -8.024 289 HG2 PRO 39 2HG PRO 39 10.863 18.568 -7.737 290 HG3 PRO 39 1HG PRO 39 9.522 18.579 -6.580 291 HD2 PRO 39 2HD PRO 39 10.214 16.388 -8.083 292 HD3 PRO 39 1HD PRO 39 8.576 16.668 -7.455 293 H VAL 40 H VAL 40 8.986 20.699 -11.408 294 HA VAL 40 HA VAL 40 11.443 19.762 -12.734 295 HB VAL 40 HB VAL 40 9.436 21.880 -13.543 296 HG11 VAL 40 1HG1 VAL 40 12.082 21.012 -14.625 297 HG12 VAL 40 2HG1 VAL 40 11.345 22.613 -14.617 298 HG13 VAL 40 3HG1 VAL 40 10.807 21.401 -15.780 299 HG21 VAL 40 3HG2 VAL 40 9.255 19.104 -13.677 300 HG22 VAL 40 1HG2 VAL 40 9.840 19.561 -15.278 301 HG23 VAL 40 2HG2 VAL 40 8.338 20.245 -14.658 302 H THR 41 H THR 41 13.323 20.675 -12.250 303 HA THR 41 HA THR 41 13.507 22.890 -10.444 304 HB THR 41 HB THR 41 15.183 21.060 -10.525 305 HG1 THR 41 1HG THR 41 15.612 23.683 -10.437 306 HG21 THR 41 3HG2 THR 41 15.044 21.233 -13.197 307 HG22 THR 41 1HG2 THR 41 16.473 20.609 -12.373 308 HG23 THR 41 2HG2 THR 41 16.440 22.280 -12.934 309 H THR 42 H THR 42 14.222 24.982 -10.835 310 HA THR 42 HA THR 42 13.709 25.956 -13.541 311 HB THR 42 HB THR 42 12.637 27.277 -11.909 312 HG1 THR 42 1HG THR 42 14.676 28.997 -11.849 313 HG21 THR 42 3HG2 THR 42 14.220 28.272 -10.034 314 HG22 THR 42 1HG2 THR 42 15.169 26.828 -10.380 315 HG23 THR 42 2HG2 THR 42 13.497 26.676 -9.843 Start of MODEL 6 1 HA ASP 1 HA ASP 1 -10.802 2.009 6.028 2 HB2 ASP 1 1HB ASP 1 -13.065 1.684 4.043 3 HB3 ASP 1 2HB ASP 1 -12.113 0.325 4.638 4 H CYS 2 H CYS 2 -8.746 2.344 5.227 5 HA CYS 2 HA CYS 2 -8.239 1.315 2.554 6 HB2 CYS 2 2HB CYS 2 -6.878 3.269 1.898 7 HB3 CYS 2 1HB CYS 2 -8.575 3.692 2.094 8 H ALA 3 H ALA 3 -5.913 0.988 2.152 9 HA ALA 3 HA ALA 3 -4.602 0.027 4.533 10 HB1 ALA 3 3HB ALA 3 -3.902 -1.417 2.960 11 HB2 ALA 3 1HB ALA 3 -2.766 -0.161 2.468 12 HB3 ALA 3 2HB ALA 3 -4.322 -0.314 1.651 13 H LYS 4 H LYS 4 -2.627 0.732 5.378 14 HA LYS 4 HA LYS 4 -1.846 3.485 4.612 15 HB2 LYS 4 1HB LYS 4 -1.788 2.110 7.304 16 HB3 LYS 4 2HB LYS 4 -1.037 3.671 6.969 17 HG2 LYS 4 1HG LYS 4 -3.159 4.656 6.383 18 HG3 LYS 4 2HG LYS 4 -3.960 3.086 6.440 19 HD2 LYS 4 1HD LYS 4 -4.496 4.206 8.496 20 HD3 LYS 4 2HD LYS 4 -3.318 2.957 8.883 21 HE2 LYS 4 1HE LYS 4 -1.528 4.571 9.000 22 HE3 LYS 4 2HE LYS 4 -2.564 5.844 8.352 23 HZ1 LYS 4 3HZ LYS 4 -2.151 5.441 10.948 24 HZ2 LYS 4 1HZ LYS 4 -3.542 4.497 10.725 25 HZ3 LYS 4 2HZ LYS 4 -3.563 6.148 10.321 26 H GLU 5 H GLU 5 0.492 3.964 5.332 27 HA GLU 5 HA GLU 5 2.280 2.480 3.850 28 HB2 GLU 5 1HB GLU 5 2.810 4.704 4.706 29 HB3 GLU 5 2HB GLU 5 2.845 4.082 6.356 30 HG2 GLU 5 1HG GLU 5 4.752 2.691 5.873 31 HG3 GLU 5 2HG GLU 5 4.646 3.052 4.151 32 H GLY 6 H GLY 6 3.176 0.553 4.036 33 HA2 GLY 6 1HA GLY 6 4.148 -1.308 5.006 34 HA3 GLY 6 2HA GLY 6 3.888 -0.594 6.586 35 H GLU 7 H GLU 7 1.020 -0.424 4.901 36 HA GLU 7 HA GLU 7 -0.029 -2.709 6.408 37 HB2 GLU 7 1HB GLU 7 -1.113 -0.407 6.506 38 HB3 GLU 7 2HB GLU 7 -1.629 -0.682 4.841 39 HG2 GLU 7 1HG GLU 7 -2.896 -2.632 5.470 40 HG3 GLU 7 2HG GLU 7 -2.245 -2.589 7.109 41 H VAL 8 H VAL 8 -1.236 -4.367 5.461 42 HA VAL 8 HA VAL 8 -0.285 -5.345 3.039 43 HB VAL 8 HB VAL 8 -2.880 -6.024 4.438 44 HG11 VAL 8 1HG1 VAL 8 -2.642 -8.185 3.226 45 HG12 VAL 8 2HG1 VAL 8 -1.260 -7.524 2.355 46 HG13 VAL 8 3HG1 VAL 8 -2.864 -6.831 2.121 47 HG21 VAL 8 3HG2 VAL 8 -0.622 -7.884 4.620 48 HG22 VAL 8 1HG2 VAL 8 -1.660 -7.252 5.898 49 HG23 VAL 8 2HG2 VAL 8 -0.272 -6.314 5.347 50 H CYS 9 H CYS 9 -0.960 -5.256 0.925 51 HA CYS 9 HA CYS 9 -3.418 -3.706 0.364 52 HB2 CYS 9 2HB CYS 9 -2.209 -2.600 -1.526 53 HB3 CYS 9 1HB CYS 9 -1.604 -2.136 0.063 54 H SER 10 H SER 10 -4.343 -4.112 -1.729 55 HA SER 10 HA SER 10 -4.952 -5.406 -3.537 56 HB2 SER 10 1HB SER 10 -2.358 -5.472 -3.813 57 HB3 SER 10 2HB SER 10 -2.522 -7.126 -3.248 58 HG SER 10 HG SER 10 -3.196 -5.992 -5.640 59 H TRP 11 H TRP 11 -3.490 -7.155 -0.837 60 HA TRP 11 HA TRP 11 -4.693 -9.645 -1.206 61 HB2 TRP 11 2HB TRP 11 -2.957 -8.837 0.573 62 HB3 TRP 11 1HB TRP 11 -4.387 -8.471 1.536 63 HD1 TRP 11 1HD TRP 11 -2.428 -11.365 0.051 64 HE1 TRP 11 1HE TRP 11 -3.281 -13.569 1.075 65 HE3 TRP 11 3HE TRP 11 -6.483 -9.627 2.609 66 HZ2 TRP 11 2HZ TRP 11 -5.411 -14.477 2.764 67 HZ3 TRP 11 3HZ TRP 11 -7.909 -11.178 3.918 68 HH2 TRP 11 2HH TRP 11 -7.377 -13.598 3.998 69 H GLY 12 H GLY 12 -6.192 -6.707 -0.818 70 HA2 GLY 12 1HA GLY 12 -8.762 -7.277 -1.026 71 HA3 GLY 12 2HA GLY 12 -8.507 -7.738 0.654 72 H LYS 13 H LYS 13 -6.370 -5.312 0.021 73 HA LYS 13 HA LYS 13 -8.275 -3.169 0.738 74 HB2 LYS 13 1HB LYS 13 -5.591 -3.727 2.026 75 HB3 LYS 13 2HB LYS 13 -6.553 -2.273 2.299 76 HG2 LYS 13 1HG LYS 13 -8.421 -3.668 3.125 77 HG3 LYS 13 2HG LYS 13 -7.446 -5.116 2.870 78 HD2 LYS 13 1HD LYS 13 -5.772 -4.291 4.471 79 HD3 LYS 13 2HD LYS 13 -6.714 -2.820 4.712 80 HE2 LYS 13 1HE LYS 13 -7.181 -4.395 6.526 81 HE3 LYS 13 2HE LYS 13 -8.618 -4.208 5.522 82 HZ1 LYS 13 3HZ LYS 13 -7.629 -6.564 6.190 83 HZ2 LYS 13 1HZ LYS 13 -6.758 -6.310 4.756 84 HZ3 LYS 13 2HZ LYS 13 -8.456 -6.297 4.730 85 H LYS 14 H LYS 14 -7.746 -1.105 0.019 86 HA LYS 14 HA LYS 14 -5.672 -1.009 -2.095 87 HB2 LYS 14 1HB LYS 14 -8.158 0.670 -1.703 88 HB3 LYS 14 2HB LYS 14 -6.987 0.880 -3.005 89 HG2 LYS 14 1HG LYS 14 -7.409 -1.503 -3.683 90 HG3 LYS 14 2HG LYS 14 -8.701 -1.568 -2.488 91 HD2 LYS 14 1HD LYS 14 -8.618 0.506 -4.696 92 HD3 LYS 14 2HD LYS 14 -9.430 -1.048 -4.877 93 HE2 LYS 14 1HE LYS 14 -10.792 -0.496 -2.831 94 HE3 LYS 14 2HE LYS 14 -10.076 1.114 -2.850 95 HZ1 LYS 14 3HZ LYS 14 -12.004 -0.078 -4.682 96 HZ2 LYS 14 1HZ LYS 14 -10.862 0.986 -5.345 97 HZ3 LYS 14 2HZ LYS 14 -11.893 1.515 -4.102 98 H CYS 15 H CYS 15 -4.054 0.361 -1.952 99 HA CYS 15 HA CYS 15 -3.345 1.552 0.477 100 HB2 CYS 15 2HB CYS 15 -2.042 0.975 -1.793 101 HB3 CYS 15 1HB CYS 15 -2.299 2.694 -2.052 102 H CYS 16 H CYS 16 -4.025 3.361 1.430 103 HA CYS 16 HA CYS 16 -6.086 4.959 0.522 104 HB2 CYS 16 2HB CYS 16 -4.584 4.778 2.826 105 HB3 CYS 16 1HB CYS 16 -4.194 6.388 2.238 106 H ASP 17 H ASP 17 -2.605 5.475 0.215 107 HA ASP 17 HA ASP 17 -2.901 8.030 -1.077 108 HB2 ASP 17 1HB ASP 17 -0.564 6.149 -0.742 109 HB3 ASP 17 2HB ASP 17 -0.438 7.708 -1.554 110 H LEU 18 H LEU 18 -2.255 4.716 -2.155 111 HA LEU 18 HA LEU 18 -2.048 3.815 -4.275 112 HB2 LEU 18 1HB LEU 18 -4.613 5.207 -3.992 113 HB3 LEU 18 2HB LEU 18 -4.140 4.950 -5.670 114 HG LEU 18 HG LEU 18 -4.011 2.747 -3.611 115 HD11 LEU 18 1HD1 LEU 18 -6.321 3.751 -5.249 116 HD12 LEU 18 2HD1 LEU 18 -6.305 3.201 -3.573 117 HD13 LEU 18 3HD1 LEU 18 -6.188 2.030 -4.886 118 HD21 LEU 18 3HD2 LEU 18 -4.582 2.122 -6.418 119 HD22 LEU 18 1HD2 LEU 18 -3.352 1.448 -5.351 120 HD23 LEU 18 2HD2 LEU 18 -3.043 2.958 -6.207 121 H ASP 19 H ASP 19 -0.766 6.510 -3.768 122 HA ASP 19 HA ASP 19 -0.280 7.154 -6.609 123 HB2 ASP 19 1HB ASP 19 -1.807 8.841 -5.688 124 HB3 ASP 19 2HB ASP 19 -0.673 9.155 -4.378 125 H ASN 20 H ASN 20 0.869 8.301 -3.434 126 HA ASN 20 HA ASN 20 3.614 8.299 -4.361 127 HB2 ASN 20 1HB ASN 20 2.421 8.868 -1.641 128 HB3 ASN 20 2HB ASN 20 4.106 9.100 -2.068 129 HD21 ASN 20 1HD2 ASN 20 1.616 12.060 -2.721 130 HD22 ASN 20 2HD2 ASN 20 1.426 10.834 -1.570 131 H PHE 21 H PHE 21 1.543 5.985 -3.174 132 HA PHE 21 HA PHE 21 3.800 4.362 -2.173 133 HB2 PHE 21 2HB PHE 21 0.923 4.428 -1.251 134 HB3 PHE 21 1HB PHE 21 2.066 3.169 -0.791 135 HD1 PHE 21 1HD PHE 21 1.729 6.903 -0.871 136 HD2 PHE 21 2HD PHE 21 3.431 3.480 1.098 137 HE1 PHE 21 1HE PHE 21 2.604 8.368 0.922 138 HE2 PHE 21 2HE PHE 21 4.310 4.957 2.886 139 HZ PHE 21 HZ PHE 21 3.898 7.394 2.800 140 H TYR 22 H TYR 22 3.831 2.179 -2.776 141 HA TYR 22 HA TYR 22 1.965 1.450 -4.956 142 HB2 TYR 22 2HB TYR 22 3.747 0.416 -6.140 143 HB3 TYR 22 1HB TYR 22 4.362 1.987 -5.646 144 HD1 TYR 22 1HD TYR 22 4.551 -1.650 -5.059 145 HD2 TYR 22 2HD TYR 22 6.012 2.209 -3.909 146 HE1 TYR 22 1HE TYR 22 6.486 -2.682 -4.026 147 HE2 TYR 22 2HE TYR 22 7.931 1.175 -2.849 148 HH TYR 22 HH TYR 22 8.754 -0.828 -2.056 149 H CYS 23 H CYS 23 1.658 -0.853 -5.241 150 HA CYS 23 HA CYS 23 1.751 -2.246 -2.653 151 HB2 CYS 23 2HB CYS 23 -0.467 -1.902 -3.772 152 HB3 CYS 23 1HB CYS 23 0.089 -2.967 -5.068 153 HA PRO 24 HA PRO 24 5.175 -4.503 -4.717 154 HB2 PRO 24 2HB PRO 24 4.861 -6.210 -2.299 155 HB3 PRO 24 1HB PRO 24 6.321 -5.470 -2.976 156 HG2 PRO 24 2HG PRO 24 5.164 -4.509 -0.796 157 HG3 PRO 24 1HG PRO 24 5.932 -3.457 -1.972 158 HD2 PRO 24 2HD PRO 24 3.038 -3.912 -1.450 159 HD3 PRO 24 1HD PRO 24 3.879 -2.461 -2.016 160 H MET 25 H MET 25 5.564 -6.796 -5.328 161 HA MET 25 HA MET 25 3.008 -8.228 -5.767 162 HB2 MET 25 1HB MET 25 4.166 -7.371 -7.815 163 HB3 MET 25 2HB MET 25 5.538 -8.406 -7.415 164 HG2 MET 25 1HG MET 25 4.108 -10.392 -7.532 165 HG3 MET 25 2HG MET 25 2.700 -9.381 -7.859 166 HE1 MET 25 3HE MET 25 3.318 -11.714 -9.381 167 HE2 MET 25 1HE MET 25 3.586 -11.400 -11.101 168 HE3 MET 25 2HE MET 25 2.172 -10.732 -10.288 169 H GLU 26 H GLU 26 3.131 -9.401 -3.807 170 HA GLU 26 HA GLU 26 4.793 -11.764 -3.962 171 HB2 GLU 26 1HB GLU 26 5.883 -9.671 -2.587 172 HB3 GLU 26 2HB GLU 26 4.994 -10.499 -1.306 173 HG2 GLU 26 1HG GLU 26 6.088 -12.637 -1.973 174 HG3 GLU 26 2HG GLU 26 7.026 -11.758 -3.176 175 H PHE 27 H PHE 27 4.404 -12.760 -1.457 176 HA PHE 27 HA PHE 27 1.756 -13.702 -1.548 177 HB2 PHE 27 2HB PHE 27 3.652 -14.917 -0.488 178 HB3 PHE 27 1HB PHE 27 3.645 -13.734 0.819 179 HD1 PHE 27 1HD PHE 27 1.380 -16.085 -1.002 180 HD2 PHE 27 2HD PHE 27 2.263 -14.091 2.697 181 HE1 PHE 27 1HE PHE 27 -0.426 -17.363 0.115 182 HE2 PHE 27 2HE PHE 27 0.453 -15.365 3.815 183 HZ PHE 27 HZ PHE 27 -0.892 -17.000 2.523 184 H ILE 28 H ILE 28 3.294 -11.315 0.606 185 HA ILE 28 HA ILE 28 0.619 -10.226 1.191 186 HB ILE 28 HB ILE 28 1.534 -9.784 3.540 187 HG12 ILE 28 1HG1 ILE 28 3.387 -12.060 2.783 188 HG13 ILE 28 2HG1 ILE 28 3.909 -10.383 2.866 189 HG21 ILE 28 1HG2 ILE 28 0.581 -12.333 2.350 190 HG22 ILE 28 2HG2 ILE 28 -0.127 -11.355 3.636 191 HG23 ILE 28 3HG2 ILE 28 1.220 -12.436 3.990 192 HD11 ILE 28 3HD1 ILE 28 2.798 -12.058 5.130 193 HD12 ILE 28 1HD1 ILE 28 3.066 -10.318 5.243 194 HD13 ILE 28 2HD1 ILE 28 4.430 -11.407 4.986 195 HA PRO 29 HA PRO 29 3.587 -6.957 -0.384 196 HB2 PRO 29 2HB PRO 29 0.938 -5.990 -1.329 197 HB3 PRO 29 1HB PRO 29 2.484 -6.040 -2.186 198 HG2 PRO 29 2HG PRO 29 0.560 -7.757 -2.751 199 HG3 PRO 29 1HG PRO 29 2.252 -8.299 -2.693 200 HD2 PRO 29 2HD PRO 29 0.071 -8.701 -0.659 201 HD3 PRO 29 1HD PRO 29 1.359 -9.819 -1.161 202 H HIS 30 H HIS 30 3.835 -4.846 0.413 203 HA HIS 30 HA HIS 30 1.703 -3.884 2.223 204 HB2 HIS 30 1HB HIS 30 4.667 -3.862 2.832 205 HB3 HIS 30 2HB HIS 30 3.409 -3.106 3.801 206 HD1 HIS 30 HD1 HIS 30 4.873 -6.438 2.960 207 HD2 HIS 30 HD2 HIS 30 1.689 -4.921 5.182 208 HE1 HIS 30 HE1 HIS 30 4.033 -8.346 4.401 209 H CYS 31 H CYS 31 1.321 -1.717 2.206 210 HA CYS 31 HA CYS 31 2.004 -0.206 -0.058 211 HB2 CYS 31 2HB CYS 31 0.885 0.461 2.635 212 HB3 CYS 31 1HB CYS 31 1.335 1.766 1.550 213 H LYS 32 H LYS 32 3.821 0.817 -0.620 214 HA LYS 32 HA LYS 32 5.653 1.733 1.499 215 HB2 LYS 32 1HB LYS 32 6.463 -0.433 0.648 216 HB3 LYS 32 2HB LYS 32 6.449 0.204 -0.970 217 HG2 LYS 32 1HG LYS 32 8.719 0.323 -0.158 218 HG3 LYS 32 2HG LYS 32 8.103 1.965 -0.236 219 HD2 LYS 32 1HD LYS 32 7.820 2.103 2.112 220 HD3 LYS 32 2HD LYS 32 7.919 0.353 2.313 221 HE2 LYS 32 1HE LYS 32 10.014 1.363 3.041 222 HE3 LYS 32 2HE LYS 32 10.300 0.451 1.562 223 HZ1 LYS 32 3HZ LYS 32 9.566 3.264 1.286 224 HZ2 LYS 32 1HZ LYS 32 10.623 2.323 0.351 225 HZ3 LYS 32 2HZ LYS 32 11.128 2.921 1.861 226 H LYS 33 H LYS 33 6.540 3.692 1.157 227 HA LYS 33 HA LYS 33 5.574 5.308 -0.984 228 HB2 LYS 33 1HB LYS 33 6.052 6.253 1.223 229 HB3 LYS 33 2HB LYS 33 7.763 5.871 1.025 230 HG2 LYS 33 1HG LYS 33 7.952 7.377 -0.855 231 HG3 LYS 33 2HG LYS 33 6.206 7.634 -0.888 232 HD2 LYS 33 1HD LYS 33 7.529 8.207 1.700 233 HD3 LYS 33 2HD LYS 33 7.941 9.300 0.378 234 HE2 LYS 33 1HE LYS 33 5.086 8.575 1.069 235 HE3 LYS 33 2HE LYS 33 5.908 9.975 1.756 236 HZ1 LYS 33 3HZ LYS 33 6.222 10.883 -0.403 237 HZ2 LYS 33 1HZ LYS 33 4.588 10.452 -0.273 238 HZ3 LYS 33 2HZ LYS 33 5.656 9.469 -1.156 239 H TYR 34 H TYR 34 6.492 5.879 -2.860 240 HA TYR 34 HA TYR 34 9.295 5.367 -3.387 241 HB2 TYR 34 2HB TYR 34 8.963 3.936 -5.225 242 HB3 TYR 34 1HB TYR 34 8.035 3.262 -3.906 243 HD1 TYR 34 1HD TYR 34 7.887 3.545 -7.241 244 HD2 TYR 34 2HD TYR 34 5.513 4.777 -3.877 245 HE1 TYR 34 1HE TYR 34 5.877 3.660 -8.670 246 HE2 TYR 34 2HE TYR 34 3.528 4.898 -5.309 247 HH TYR 34 HH TYR 34 3.383 3.539 -8.386 248 H LYS 35 H LYS 35 9.822 6.087 -5.667 249 HA LYS 35 HA LYS 35 8.123 8.362 -6.476 250 HB2 LYS 35 1HB LYS 35 10.374 9.505 -7.023 251 HB3 LYS 35 2HB LYS 35 9.831 9.474 -5.350 252 HG2 LYS 35 1HG LYS 35 11.535 7.213 -6.332 253 HG3 LYS 35 2HG LYS 35 12.312 8.758 -6.001 254 HD2 LYS 35 1HD LYS 35 11.278 8.718 -3.705 255 HD3 LYS 35 2HD LYS 35 10.698 7.083 -4.041 256 HE2 LYS 35 1HE LYS 35 12.792 6.884 -2.866 257 HE3 LYS 35 2HE LYS 35 13.078 6.433 -4.548 258 HZ1 LYS 35 3HZ LYS 35 13.384 9.237 -4.122 259 HZ2 LYS 35 1HZ LYS 35 14.463 8.131 -4.818 260 HZ3 LYS 35 2HZ LYS 35 14.430 8.338 -3.133 261 HA PRO 36 HA PRO 36 9.142 5.850 -10.204 262 HB2 PRO 36 2HB PRO 36 6.743 6.122 -11.461 263 HB3 PRO 36 1HB PRO 36 7.049 4.901 -10.216 264 HG2 PRO 36 2HG PRO 36 5.577 7.462 -10.036 265 HG3 PRO 36 1HG PRO 36 5.287 5.931 -9.196 266 HD2 PRO 36 2HD PRO 36 6.537 8.164 -8.091 267 HD3 PRO 36 1HD PRO 36 6.656 6.512 -7.446 268 H TYR 37 H TYR 37 9.291 8.895 -9.618 269 HA TYR 37 HA TYR 37 9.979 10.739 -10.803 270 HB2 TYR 37 2HB TYR 37 9.751 9.168 -13.367 271 HB3 TYR 37 1HB TYR 37 10.835 10.499 -12.979 272 HD1 TYR 37 1HD TYR 37 10.618 6.997 -13.277 273 HD2 TYR 37 2HD TYR 37 12.389 10.070 -10.852 274 HE1 TYR 37 1HE TYR 37 12.332 5.389 -12.492 275 HE2 TYR 37 2HE TYR 37 14.104 8.460 -10.068 276 HH TYR 37 HH TYR 37 14.030 5.049 -11.090 277 H VAL 38 H VAL 38 7.098 9.749 -10.506 278 HA VAL 38 HA VAL 38 5.935 11.790 -12.273 279 HB VAL 38 HB VAL 38 4.692 9.058 -11.878 280 HG11 VAL 38 1HG1 VAL 38 3.196 9.821 -13.684 281 HG12 VAL 38 2HG1 VAL 38 4.043 11.368 -13.738 282 HG13 VAL 38 3HG1 VAL 38 3.119 10.919 -12.305 283 HG21 VAL 38 3HG2 VAL 38 5.264 8.974 -14.431 284 HG22 VAL 38 1HG2 VAL 38 6.531 8.600 -13.265 285 HG23 VAL 38 2HG2 VAL 38 6.477 10.189 -14.027 286 HA PRO 39 HA PRO 39 4.712 12.114 -7.755 287 HB2 PRO 39 2HB PRO 39 4.910 14.976 -8.571 288 HB3 PRO 39 1HB PRO 39 5.498 14.182 -7.096 289 HG2 PRO 39 2HG PRO 39 7.191 14.898 -8.990 290 HG3 PRO 39 1HG PRO 39 7.390 13.355 -8.140 291 HD2 PRO 39 2HD PRO 39 6.288 13.856 -10.893 292 HD3 PRO 39 1HD PRO 39 7.356 12.549 -10.330 293 H VAL 40 H VAL 40 3.644 13.804 -10.642 294 HA VAL 40 HA VAL 40 0.851 13.596 -9.702 295 HB VAL 40 HB VAL 40 0.373 15.800 -10.687 296 HG11 VAL 40 1HG1 VAL 40 1.323 15.379 -8.261 297 HG12 VAL 40 2HG1 VAL 40 1.156 17.027 -8.867 298 HG13 VAL 40 3HG1 VAL 40 2.733 16.237 -8.882 299 HG21 VAL 40 3HG2 VAL 40 2.440 17.229 -11.217 300 HG22 VAL 40 1HG2 VAL 40 2.015 15.996 -12.405 301 HG23 VAL 40 2HG2 VAL 40 3.340 15.713 -11.276 302 H THR 41 H THR 41 -0.738 13.658 -11.453 303 HA THR 41 HA THR 41 0.359 12.524 -13.958 304 HB THR 41 HB THR 41 -2.342 12.072 -12.666 305 HG1 THR 41 1HG THR 41 0.098 10.862 -12.488 306 HG21 THR 41 3HG2 THR 41 -2.963 11.511 -14.761 307 HG22 THR 41 1HG2 THR 41 -1.870 10.134 -14.606 308 HG23 THR 41 2HG2 THR 41 -1.306 11.625 -15.359 309 H THR 42 H THR 42 0.011 13.611 -15.786 310 HA THR 42 HA THR 42 -1.210 16.163 -15.815 311 HB THR 42 HB THR 42 -0.870 16.079 -18.237 312 HG1 THR 42 1HG THR 42 -0.328 13.344 -17.725 313 HG21 THR 42 3HG2 THR 42 1.442 14.657 -16.910 314 HG22 THR 42 1HG2 THR 42 1.065 16.349 -16.589 315 HG23 THR 42 2HG2 THR 42 1.502 15.837 -18.219 Start of MODEL 7 1 HA ASP 1 HA ASP 1 -11.632 2.540 5.659 2 HB2 ASP 1 1HB ASP 1 -11.436 4.931 3.918 3 HB3 ASP 1 2HB ASP 1 -12.864 4.072 4.493 4 H CYS 2 H CYS 2 -8.502 3.081 5.391 5 HA CYS 2 HA CYS 2 -8.239 1.534 2.955 6 HB2 CYS 2 2HB CYS 2 -6.607 3.171 1.972 7 HB3 CYS 2 1HB CYS 2 -8.282 3.695 1.929 8 H ALA 3 H ALA 3 -5.952 0.941 2.535 9 HA ALA 3 HA ALA 3 -4.692 0.162 4.981 10 HB1 ALA 3 3HB ALA 3 -4.552 -0.595 2.243 11 HB2 ALA 3 1HB ALA 3 -3.832 -1.403 3.635 12 HB3 ALA 3 2HB ALA 3 -2.921 -0.170 2.767 13 H LYS 4 H LYS 4 -2.956 1.012 6.005 14 HA LYS 4 HA LYS 4 -2.018 3.637 5.084 15 HB2 LYS 4 1HB LYS 4 -1.641 2.173 7.712 16 HB3 LYS 4 2HB LYS 4 -1.026 3.789 7.362 17 HG2 LYS 4 1HG LYS 4 -3.332 4.566 6.929 18 HG3 LYS 4 2HG LYS 4 -3.942 2.955 7.305 19 HD2 LYS 4 1HD LYS 4 -2.965 3.136 9.581 20 HD3 LYS 4 2HD LYS 4 -2.427 4.774 9.203 21 HE2 LYS 4 1HE LYS 4 -5.311 3.836 9.136 22 HE3 LYS 4 2HE LYS 4 -4.581 4.771 10.442 23 HZ1 LYS 4 3HZ LYS 4 -5.796 6.134 8.797 24 HZ2 LYS 4 1HZ LYS 4 -4.684 5.655 7.610 25 HZ3 LYS 4 2HZ LYS 4 -4.159 6.564 8.947 26 H GLU 5 H GLU 5 0.398 4.064 5.592 27 HA GLU 5 HA GLU 5 2.011 2.576 3.911 28 HB2 GLU 5 1HB GLU 5 2.644 4.781 4.709 29 HB3 GLU 5 2HB GLU 5 2.822 4.161 6.352 30 HG2 GLU 5 1HG GLU 5 4.665 2.752 5.697 31 HG3 GLU 5 2HG GLU 5 4.404 3.108 3.992 32 H GLY 6 H GLY 6 2.976 0.678 3.993 33 HA2 GLY 6 1HA GLY 6 4.064 -1.181 4.849 34 HA3 GLY 6 2HA GLY 6 3.858 -0.539 6.462 35 H GLU 7 H GLU 7 0.902 -0.345 4.989 36 HA GLU 7 HA GLU 7 -0.023 -2.717 6.428 37 HB2 GLU 7 1HB GLU 7 -1.155 -0.454 6.656 38 HB3 GLU 7 2HB GLU 7 -1.720 -0.670 4.998 39 HG2 GLU 7 1HG GLU 7 -2.958 -2.637 5.570 40 HG3 GLU 7 2HG GLU 7 -2.220 -2.717 7.168 41 H VAL 8 H VAL 8 -1.313 -4.328 5.467 42 HA VAL 8 HA VAL 8 -0.429 -5.250 2.989 43 HB VAL 8 HB VAL 8 -2.918 -5.928 4.555 44 HG11 VAL 8 1HG1 VAL 8 -3.486 -6.649 2.397 45 HG12 VAL 8 2HG1 VAL 8 -2.689 -8.071 3.071 46 HG13 VAL 8 3HG1 VAL 8 -1.811 -7.007 1.972 47 HG21 VAL 8 3HG2 VAL 8 -0.741 -7.881 4.205 48 HG22 VAL 8 1HG2 VAL 8 -1.605 -7.412 5.671 49 HG23 VAL 8 2HG2 VAL 8 -0.261 -6.431 5.087 50 H CYS 9 H CYS 9 -1.079 -4.975 0.908 51 HA CYS 9 HA CYS 9 -3.647 -3.623 0.403 52 HB2 CYS 9 2HB CYS 9 -2.656 -1.976 -1.059 53 HB3 CYS 9 1HB CYS 9 -1.842 -1.876 0.501 54 H SER 10 H SER 10 -4.315 -3.779 -1.862 55 HA SER 10 HA SER 10 -4.573 -4.872 -3.874 56 HB2 SER 10 1HB SER 10 -1.876 -4.690 -3.636 57 HB3 SER 10 2HB SER 10 -2.081 -6.432 -3.698 58 HG SER 10 HG SER 10 -3.271 -4.604 -5.516 59 H TRP 11 H TRP 11 -3.125 -6.798 -1.289 60 HA TRP 11 HA TRP 11 -3.982 -9.334 -2.070 61 HB2 TRP 11 2HB TRP 11 -2.432 -8.844 -0.162 62 HB3 TRP 11 1HB TRP 11 -3.826 -8.314 0.776 63 HD1 TRP 11 1HD TRP 11 -2.184 -11.427 -0.676 64 HE1 TRP 11 1HE TRP 11 -3.304 -13.515 0.343 65 HE3 TRP 11 3HE TRP 11 -6.053 -9.223 1.814 66 HZ2 TRP 11 2HZ TRP 11 -5.549 -14.163 1.995 67 HZ3 TRP 11 3HZ TRP 11 -7.669 -10.593 3.100 68 HH2 TRP 11 2HH TRP 11 -7.423 -13.060 3.195 69 H GLY 12 H GLY 12 -5.863 -6.670 -1.448 70 HA2 GLY 12 1HA GLY 12 -8.317 -7.517 -1.939 71 HA3 GLY 12 2HA GLY 12 -8.121 -8.156 -0.308 72 H LYS 13 H LYS 13 -6.286 -5.416 -0.510 73 HA LYS 13 HA LYS 13 -8.486 -3.617 0.287 74 HB2 LYS 13 1HB LYS 13 -5.880 -4.048 1.762 75 HB3 LYS 13 2HB LYS 13 -7.016 -2.742 2.101 76 HG2 LYS 13 1HG LYS 13 -8.782 -4.398 2.580 77 HG3 LYS 13 2HG LYS 13 -7.647 -5.706 2.242 78 HD2 LYS 13 1HD LYS 13 -6.194 -4.926 4.077 79 HD3 LYS 13 2HD LYS 13 -7.329 -3.618 4.419 80 HE2 LYS 13 1HE LYS 13 -9.094 -5.270 4.906 81 HE3 LYS 13 2HE LYS 13 -7.966 -6.581 4.558 82 HZ1 LYS 13 3HZ LYS 13 -7.807 -6.384 6.829 83 HZ2 LYS 13 1HZ LYS 13 -7.985 -4.696 6.818 84 HZ3 LYS 13 2HZ LYS 13 -6.519 -5.401 6.324 85 H LYS 14 H LYS 14 -8.101 -1.396 -0.070 86 HA LYS 14 HA LYS 14 -6.047 -0.855 -2.106 87 HB2 LYS 14 1HB LYS 14 -8.437 0.789 -1.225 88 HB3 LYS 14 2HB LYS 14 -7.358 1.170 -2.567 89 HG2 LYS 14 1HG LYS 14 -8.000 -0.935 -3.688 90 HG3 LYS 14 2HG LYS 14 -9.063 -1.333 -2.339 91 HD2 LYS 14 1HD LYS 14 -10.571 -0.376 -3.839 92 HD3 LYS 14 2HD LYS 14 -10.127 1.020 -2.861 93 HE2 LYS 14 1HE LYS 14 -10.025 1.633 -5.219 94 HE3 LYS 14 2HE LYS 14 -8.389 1.607 -4.567 95 HZ1 LYS 14 3HZ LYS 14 -9.356 -0.907 -5.636 96 HZ2 LYS 14 1HZ LYS 14 -7.833 -0.177 -5.790 97 HZ3 LYS 14 2HZ LYS 14 -9.118 0.324 -6.781 98 H CYS 15 H CYS 15 -4.465 0.600 -1.833 99 HA CYS 15 HA CYS 15 -3.735 1.312 0.842 100 HB2 CYS 15 2HB CYS 15 -2.207 0.779 -1.177 101 HB3 CYS 15 1HB CYS 15 -2.490 2.451 -1.638 102 H CYS 16 H CYS 16 -3.614 3.373 1.752 103 HA CYS 16 HA CYS 16 -5.711 5.148 1.232 104 HB2 CYS 16 2HB CYS 16 -3.122 5.483 2.753 105 HB3 CYS 16 1HB CYS 16 -4.403 6.687 2.762 106 H ASP 17 H ASP 17 -2.323 5.236 0.257 107 HA ASP 17 HA ASP 17 -3.013 7.409 -1.633 108 HB2 ASP 17 1HB ASP 17 -0.558 7.050 0.074 109 HB3 ASP 17 2HB ASP 17 -0.541 8.051 -1.379 110 H LEU 18 H LEU 18 -3.371 5.988 -3.348 111 HA LEU 18 HA LEU 18 -1.379 4.024 -4.069 112 HB2 LEU 18 1HB LEU 18 -3.919 4.996 -5.383 113 HB3 LEU 18 2HB LEU 18 -2.873 3.782 -6.114 114 HG LEU 18 HG LEU 18 -3.822 3.434 -3.276 115 HD11 LEU 18 1HD1 LEU 18 -5.890 3.763 -4.445 116 HD12 LEU 18 2HD1 LEU 18 -5.677 2.017 -4.305 117 HD13 LEU 18 3HD1 LEU 18 -5.329 2.828 -5.831 118 HD21 LEU 18 3HD2 LEU 18 -2.087 1.988 -4.816 119 HD22 LEU 18 1HD2 LEU 18 -3.606 1.197 -5.216 120 HD23 LEU 18 2HD2 LEU 18 -3.071 1.276 -3.542 121 H ASP 19 H ASP 19 -1.565 7.318 -4.394 122 HA ASP 19 HA ASP 19 -0.225 7.392 -7.005 123 HB2 ASP 19 1HB ASP 19 -1.321 9.551 -5.200 124 HB3 ASP 19 2HB ASP 19 -0.437 9.878 -6.692 125 H ASN 20 H ASN 20 0.587 7.130 -3.764 126 HA ASN 20 HA ASN 20 3.292 8.190 -4.312 127 HB2 ASN 20 1HB ASN 20 1.760 8.487 -1.721 128 HB3 ASN 20 2HB ASN 20 3.420 8.977 -1.981 129 HD21 ASN 20 1HD2 ASN 20 0.659 11.613 -2.712 130 HD22 ASN 20 2HD2 ASN 20 0.618 10.373 -1.565 131 H PHE 21 H PHE 21 1.381 5.578 -3.449 132 HA PHE 21 HA PHE 21 3.719 4.132 -2.388 133 HB2 PHE 21 2HB PHE 21 0.857 3.855 -1.458 134 HB3 PHE 21 1HB PHE 21 2.178 2.814 -0.962 135 HD1 PHE 21 1HD PHE 21 1.325 6.455 -1.168 136 HD2 PHE 21 2HD PHE 21 3.379 3.363 0.974 137 HE1 PHE 21 1HE PHE 21 1.911 8.082 0.595 138 HE2 PHE 21 2HE PHE 21 3.974 4.997 2.740 139 HZ PHE 21 HZ PHE 21 3.241 7.351 2.553 140 H TYR 22 H TYR 22 3.617 1.788 -2.724 141 HA TYR 22 HA TYR 22 1.905 0.992 -4.996 142 HB2 TYR 22 2HB TYR 22 3.767 -0.011 -6.140 143 HB3 TYR 22 1HB TYR 22 4.227 1.647 -5.765 144 HD1 TYR 22 1HD TYR 22 4.655 -1.898 -4.812 145 HD2 TYR 22 2HD TYR 22 5.938 2.151 -4.238 146 HE1 TYR 22 1HE TYR 22 6.678 -2.695 -3.730 147 HE2 TYR 22 2HE TYR 22 7.961 1.347 -3.109 148 HH TYR 22 HH TYR 22 9.318 -0.620 -2.912 149 H CYS 23 H CYS 23 1.786 -1.356 -5.259 150 HA CYS 23 HA CYS 23 1.965 -2.686 -2.666 151 HB2 CYS 23 2HB CYS 23 0.288 -3.264 -5.081 152 HB3 CYS 23 1HB CYS 23 0.415 -4.352 -3.702 153 HA PRO 24 HA PRO 24 5.668 -4.677 -4.501 154 HB2 PRO 24 2HB PRO 24 5.211 -6.421 -2.122 155 HB3 PRO 24 1HB PRO 24 6.694 -5.648 -2.679 156 HG2 PRO 24 2HG PRO 24 5.335 -4.704 -0.619 157 HG3 PRO 24 1HG PRO 24 6.193 -3.652 -1.723 158 HD2 PRO 24 2HD PRO 24 3.280 -4.103 -1.428 159 HD3 PRO 24 1HD PRO 24 4.152 -2.670 -2.007 160 H MET 25 H MET 25 6.154 -6.776 -5.360 161 HA MET 25 HA MET 25 3.807 -8.157 -6.337 162 HB2 MET 25 1HB MET 25 6.746 -8.730 -6.794 163 HB3 MET 25 2HB MET 25 5.405 -9.469 -7.668 164 HG2 MET 25 1HG MET 25 5.982 -7.731 -9.109 165 HG3 MET 25 2HG MET 25 4.716 -6.971 -8.142 166 HE1 MET 25 3HE MET 25 9.203 -6.192 -8.189 167 HE2 MET 25 1HE MET 25 8.155 -6.681 -9.528 168 HE3 MET 25 2HE MET 25 8.486 -7.802 -8.211 169 H GLU 26 H GLU 26 5.572 -8.406 -3.546 170 HA GLU 26 HA GLU 26 5.885 -11.177 -3.196 171 HB2 GLU 26 1HB GLU 26 5.489 -8.922 -1.213 172 HB3 GLU 26 2HB GLU 26 5.883 -10.578 -0.748 173 HG2 GLU 26 1HG GLU 26 7.955 -10.478 -2.059 174 HG3 GLU 26 2HG GLU 26 7.553 -8.850 -2.601 175 H PHE 27 H PHE 27 4.634 -12.567 -1.916 176 HA PHE 27 HA PHE 27 1.918 -12.680 -2.579 177 HB2 PHE 27 2HB PHE 27 1.793 -14.497 -0.867 178 HB3 PHE 27 1HB PHE 27 3.115 -14.700 -2.013 179 HD1 PHE 27 1HD PHE 27 2.211 -14.197 1.482 180 HD2 PHE 27 2HD PHE 27 5.440 -14.057 -1.346 181 HE1 PHE 27 1HE PHE 27 3.850 -14.221 3.348 182 HE2 PHE 27 2HE PHE 27 7.074 -14.075 0.514 183 HZ PHE 27 HZ PHE 27 6.281 -14.155 2.861 184 H ILE 28 H ILE 28 3.474 -10.782 -0.274 185 HA ILE 28 HA ILE 28 0.893 -10.064 0.942 186 HB ILE 28 HB ILE 28 2.218 -9.714 3.104 187 HG12 ILE 28 1HG1 ILE 28 4.095 -11.673 1.748 188 HG13 ILE 28 2HG1 ILE 28 4.458 -9.971 1.972 189 HG21 ILE 28 1HG2 ILE 28 2.291 -12.485 3.201 190 HG22 ILE 28 2HG2 ILE 28 1.129 -12.162 1.921 191 HG23 ILE 28 3HG2 ILE 28 0.879 -11.486 3.527 192 HD11 ILE 28 3HD1 ILE 28 4.824 -12.088 3.841 193 HD12 ILE 28 1HD1 ILE 28 3.576 -11.022 4.482 194 HD13 ILE 28 2HD1 ILE 28 5.163 -10.374 4.067 195 HA PRO 29 HA PRO 29 3.288 -6.478 -0.842 196 HB2 PRO 29 2HB PRO 29 0.517 -5.653 -1.499 197 HB3 PRO 29 1HB PRO 29 1.957 -5.680 -2.532 198 HG2 PRO 29 2HG PRO 29 0.015 -7.464 -2.838 199 HG3 PRO 29 1HG PRO 29 1.718 -7.928 -3.022 200 HD2 PRO 29 2HD PRO 29 -0.123 -8.403 -0.695 201 HD3 PRO 29 1HD PRO 29 1.086 -9.487 -1.409 202 H HIS 30 H HIS 30 3.663 -4.601 0.255 203 HA HIS 30 HA HIS 30 1.625 -3.737 2.226 204 HB2 HIS 30 1HB HIS 30 4.627 -3.787 2.645 205 HB3 HIS 30 2HB HIS 30 3.449 -3.093 3.750 206 HD1 HIS 30 HD1 HIS 30 4.782 -6.376 2.553 207 HD2 HIS 30 HD2 HIS 30 1.789 -4.971 5.089 208 HE1 HIS 30 HE1 HIS 30 3.978 -8.373 3.894 209 H CYS 31 H CYS 31 1.167 -1.602 2.263 210 HA CYS 31 HA CYS 31 1.709 0.065 0.128 211 HB2 CYS 31 2HB CYS 31 1.021 0.662 2.992 212 HB3 CYS 31 1HB CYS 31 1.212 1.945 1.808 213 H LYS 32 H LYS 32 3.710 0.469 -0.588 214 HA LYS 32 HA LYS 32 5.706 1.449 1.374 215 HB2 LYS 32 1HB LYS 32 6.350 -0.690 0.343 216 HB3 LYS 32 2HB LYS 32 6.154 0.017 -1.239 217 HG2 LYS 32 1HG LYS 32 8.534 -0.011 -0.568 218 HG3 LYS 32 2HG LYS 32 7.960 1.639 -0.763 219 HD2 LYS 32 1HD LYS 32 7.913 2.039 1.542 220 HD3 LYS 32 2HD LYS 32 7.803 0.321 1.935 221 HE2 LYS 32 1HE LYS 32 10.040 1.193 2.465 222 HE3 LYS 32 2HE LYS 32 10.135 0.014 1.156 223 HZ1 LYS 32 3HZ LYS 32 11.333 2.278 0.931 224 HZ2 LYS 32 1HZ LYS 32 9.792 2.865 0.533 225 HZ3 LYS 32 2HZ LYS 32 10.499 1.638 -0.403 226 H LYS 33 H LYS 33 6.359 3.476 1.134 227 HA LYS 33 HA LYS 33 5.390 5.075 -1.045 228 HB2 LYS 33 1HB LYS 33 5.886 5.740 1.466 229 HB3 LYS 33 2HB LYS 33 7.492 6.059 0.832 230 HG2 LYS 33 1HG LYS 33 6.628 7.631 -0.790 231 HG3 LYS 33 2HG LYS 33 4.961 7.217 -0.381 232 HD2 LYS 33 1HD LYS 33 5.456 7.983 1.982 233 HD3 LYS 33 2HD LYS 33 6.984 8.618 1.371 234 HE2 LYS 33 1HE LYS 33 5.780 10.028 -0.235 235 HE3 LYS 33 2HE LYS 33 4.238 9.368 0.327 236 HZ1 LYS 33 3HZ LYS 33 4.692 11.476 1.388 237 HZ2 LYS 33 1HZ LYS 33 6.188 10.914 1.957 238 HZ3 LYS 33 2HZ LYS 33 4.746 10.232 2.543 239 H TYR 34 H TYR 34 6.482 5.940 -2.687 240 HA TYR 34 HA TYR 34 9.336 5.471 -3.073 241 HB2 TYR 34 2HB TYR 34 8.990 4.447 -5.255 242 HB3 TYR 34 1HB TYR 34 8.272 3.473 -3.997 243 HD1 TYR 34 1HD TYR 34 5.937 6.106 -4.194 244 HD2 TYR 34 2HD TYR 34 7.429 2.819 -6.555 245 HE1 TYR 34 1HE TYR 34 3.881 6.124 -5.531 246 HE2 TYR 34 2HE TYR 34 5.343 2.864 -7.883 247 HH TYR 34 HH TYR 34 3.485 5.133 -8.272 248 H LYS 35 H LYS 35 9.315 6.042 -5.858 249 HA LYS 35 HA LYS 35 8.459 8.867 -5.851 250 HB2 LYS 35 1HB LYS 35 10.286 9.022 -7.687 251 HB3 LYS 35 2HB LYS 35 10.782 8.949 -5.996 252 HG2 LYS 35 1HG LYS 35 10.433 6.351 -7.410 253 HG3 LYS 35 2HG LYS 35 11.827 7.332 -7.864 254 HD2 LYS 35 1HD LYS 35 12.569 7.439 -5.548 255 HD3 LYS 35 2HD LYS 35 11.133 6.579 -5.006 256 HE2 LYS 35 1HE LYS 35 13.060 5.054 -5.183 257 HE3 LYS 35 2HE LYS 35 11.799 4.617 -6.336 258 HZ1 LYS 35 3HZ LYS 35 14.401 5.082 -6.942 259 HZ2 LYS 35 1HZ LYS 35 13.651 6.541 -7.373 260 HZ3 LYS 35 2HZ LYS 35 13.113 5.076 -8.050 261 HA PRO 36 HA PRO 36 5.637 6.971 -9.005 262 HB2 PRO 36 2HB PRO 36 4.768 9.837 -9.017 263 HB3 PRO 36 1HB PRO 36 3.783 8.362 -8.945 264 HG2 PRO 36 2HG PRO 36 4.163 9.865 -6.796 265 HG3 PRO 36 1HG PRO 36 4.105 8.099 -6.687 266 HD2 PRO 36 2HD PRO 36 6.471 9.921 -6.516 267 HD3 PRO 36 1HD PRO 36 6.180 8.361 -5.704 268 H TYR 37 H TYR 37 5.705 7.038 -11.243 269 HA TYR 37 HA TYR 37 7.641 8.929 -12.436 270 HB2 TYR 37 2HB TYR 37 6.743 6.188 -13.353 271 HB3 TYR 37 1HB TYR 37 7.888 7.221 -14.212 272 HD1 TYR 37 1HD TYR 37 7.297 5.320 -11.091 273 HD2 TYR 37 2HD TYR 37 10.161 7.471 -13.458 274 HE1 TYR 37 1HE TYR 37 9.123 4.469 -9.649 275 HE2 TYR 37 2HE TYR 37 11.994 6.619 -12.018 276 HH TYR 37 HH TYR 37 11.302 4.487 -9.239 277 H VAL 38 H VAL 38 7.134 9.995 -14.343 278 HA VAL 38 HA VAL 38 4.453 10.764 -14.677 279 HB VAL 38 HB VAL 38 5.316 11.773 -16.855 280 HG11 VAL 38 1HG1 VAL 38 6.483 12.279 -14.129 281 HG12 VAL 38 2HG1 VAL 38 5.305 13.236 -15.026 282 HG13 VAL 38 3HG1 VAL 38 7.001 13.249 -15.509 283 HG21 VAL 38 3HG2 VAL 38 7.291 9.865 -16.550 284 HG22 VAL 38 1HG2 VAL 38 8.090 11.334 -15.990 285 HG23 VAL 38 2HG2 VAL 38 7.394 11.271 -17.611 286 HA PRO 39 HA PRO 39 2.820 7.561 -17.265 287 HB2 PRO 39 2HB PRO 39 0.955 8.959 -18.703 288 HB3 PRO 39 1HB PRO 39 0.738 8.512 -17.001 289 HG2 PRO 39 2HG PRO 39 1.598 11.111 -18.180 290 HG3 PRO 39 1HG PRO 39 0.485 10.793 -16.837 291 HD2 PRO 39 2HD PRO 39 3.053 11.569 -16.426 292 HD3 PRO 39 1HD PRO 39 2.201 10.488 -15.303 293 H VAL 40 H VAL 40 2.801 6.768 -19.429 294 HA VAL 40 HA VAL 40 4.503 8.313 -21.289 295 HB VAL 40 HB VAL 40 5.524 6.212 -20.535 296 HG11 VAL 40 1HG1 VAL 40 3.097 4.877 -21.776 297 HG12 VAL 40 2HG1 VAL 40 3.365 5.046 -20.041 298 HG13 VAL 40 3HG1 VAL 40 4.465 4.067 -21.012 299 HG21 VAL 40 3HG2 VAL 40 4.597 5.620 -23.325 300 HG22 VAL 40 1HG2 VAL 40 6.226 5.551 -22.652 301 HG23 VAL 40 2HG2 VAL 40 5.495 7.109 -23.035 302 H THR 41 H THR 41 3.921 8.468 -23.443 303 HA THR 41 HA THR 41 2.516 8.590 -25.251 304 HB THR 41 HB THR 41 0.948 6.293 -24.091 305 HG1 THR 41 1HG THR 41 2.952 5.588 -25.754 306 HG21 THR 41 3HG2 THR 41 0.249 7.492 -26.214 307 HG22 THR 41 1HG2 THR 41 0.542 5.762 -26.394 308 HG23 THR 41 2HG2 THR 41 1.754 6.923 -26.938 309 H THR 42 H THR 42 1.761 10.619 -24.370 310 HA THR 42 HA THR 42 -0.662 10.653 -22.782 311 HB THR 42 HB THR 42 -0.504 13.128 -23.128 312 HG1 THR 42 1HG THR 42 1.861 13.432 -24.035 313 HG21 THR 42 3HG2 THR 42 0.575 12.258 -21.189 314 HG22 THR 42 1HG2 THR 42 1.756 13.323 -21.952 315 HG23 THR 42 2HG2 THR 42 1.893 11.575 -22.144 Start of MODEL 8 1 HA ASP 1 HA ASP 1 -12.050 2.058 5.189 2 HB2 ASP 1 1HB ASP 1 -10.310 4.302 6.227 3 HB3 ASP 1 2HB ASP 1 -11.306 4.472 4.783 4 H CYS 2 H CYS 2 -8.567 2.367 5.620 5 HA CYS 2 HA CYS 2 -8.095 1.192 3.019 6 HB2 CYS 2 2HB CYS 2 -6.743 3.026 2.157 7 HB3 CYS 2 1HB CYS 2 -8.396 3.567 2.433 8 H ALA 3 H ALA 3 -5.678 1.005 2.601 9 HA ALA 3 HA ALA 3 -4.400 0.240 5.127 10 HB1 ALA 3 3HB ALA 3 -3.596 -1.471 3.928 11 HB2 ALA 3 1HB ALA 3 -2.793 -0.349 2.829 12 HB3 ALA 3 2HB ALA 3 -4.452 -0.857 2.514 13 H LYS 4 H LYS 4 -2.933 1.495 6.060 14 HA LYS 4 HA LYS 4 -1.953 3.872 4.740 15 HB2 LYS 4 1HB LYS 4 -2.487 3.316 7.332 16 HB3 LYS 4 2HB LYS 4 -0.749 3.027 7.312 17 HG2 LYS 4 1HG LYS 4 -0.812 5.306 7.767 18 HG3 LYS 4 2HG LYS 4 -0.692 5.327 6.009 19 HD2 LYS 4 1HD LYS 4 -3.260 5.334 5.990 20 HD3 LYS 4 2HD LYS 4 -3.158 5.710 7.711 21 HE2 LYS 4 1HE LYS 4 -3.297 7.820 6.617 22 HE3 LYS 4 2HE LYS 4 -1.598 7.628 7.050 23 HZ1 LYS 4 3HZ LYS 4 -2.641 8.069 4.531 24 HZ2 LYS 4 1HZ LYS 4 -2.120 6.455 4.526 25 HZ3 LYS 4 2HZ LYS 4 -1.032 7.698 4.924 26 H GLU 5 H GLU 5 0.620 4.165 5.672 27 HA GLU 5 HA GLU 5 2.142 2.764 3.761 28 HB2 GLU 5 1HB GLU 5 2.817 4.929 4.698 29 HB3 GLU 5 2HB GLU 5 3.057 4.177 6.273 30 HG2 GLU 5 1HG GLU 5 4.811 2.732 5.353 31 HG3 GLU 5 2HG GLU 5 4.535 3.391 3.744 32 H GLY 6 H GLY 6 3.038 0.815 3.770 33 HA2 GLY 6 1HA GLY 6 4.063 -1.109 4.545 34 HA3 GLY 6 2HA GLY 6 3.964 -0.483 6.178 35 H GLU 7 H GLU 7 0.948 -0.160 4.875 36 HA GLU 7 HA GLU 7 -0.012 -2.476 6.360 37 HB2 GLU 7 1HB GLU 7 -1.552 -0.313 4.902 38 HB3 GLU 7 2HB GLU 7 -2.239 -1.524 5.979 39 HG2 GLU 7 1HG GLU 7 -0.136 0.504 6.799 40 HG3 GLU 7 2HG GLU 7 -1.858 0.660 7.128 41 H VAL 8 H VAL 8 -1.413 -4.061 5.462 42 HA VAL 8 HA VAL 8 -0.541 -5.101 3.010 43 HB VAL 8 HB VAL 8 -3.025 -5.685 4.632 44 HG11 VAL 8 1HG1 VAL 8 -2.892 -7.880 3.269 45 HG12 VAL 8 2HG1 VAL 8 -1.905 -6.961 2.134 46 HG13 VAL 8 3HG1 VAL 8 -3.565 -6.464 2.462 47 HG21 VAL 8 3HG2 VAL 8 -0.406 -7.184 4.309 48 HG22 VAL 8 1HG2 VAL 8 -1.739 -7.628 5.374 49 HG23 VAL 8 2HG2 VAL 8 -0.813 -6.160 5.687 50 H CYS 9 H CYS 9 -1.080 -4.672 0.943 51 HA CYS 9 HA CYS 9 -3.703 -3.430 0.409 52 HB2 CYS 9 2HB CYS 9 -2.715 -1.788 -1.071 53 HB3 CYS 9 1HB CYS 9 -2.004 -1.640 0.531 54 H SER 10 H SER 10 -4.684 -4.760 -0.897 55 HA SER 10 HA SER 10 -3.704 -5.450 -3.462 56 HB2 SER 10 1HB SER 10 -2.275 -6.991 -2.213 57 HB3 SER 10 2HB SER 10 -3.684 -7.703 -1.441 58 HG SER 10 HG SER 10 -3.163 -7.605 -4.236 59 H TRP 11 H TRP 11 -5.114 -8.173 -3.152 60 HA TRP 11 HA TRP 11 -7.615 -7.393 -4.169 61 HB2 TRP 11 2HB TRP 11 -8.207 -9.700 -4.072 62 HB3 TRP 11 1HB TRP 11 -6.477 -9.654 -4.405 63 HD1 TRP 11 1HD TRP 11 -4.804 -10.299 -2.385 64 HE1 TRP 11 1HE TRP 11 -5.189 -11.674 -0.246 65 HE3 TRP 11 3HE TRP 11 -9.916 -10.327 -2.248 66 HZ2 TRP 11 2HZ TRP 11 -7.365 -12.661 1.320 67 HZ3 TRP 11 3HZ TRP 11 -11.115 -11.497 -0.418 68 HH2 TRP 11 2HH TRP 11 -9.845 -12.664 1.366 69 H GLY 12 H GLY 12 -6.600 -8.297 -0.893 70 HA2 GLY 12 1HA GLY 12 -9.187 -8.319 0.264 71 HA3 GLY 12 2HA GLY 12 -7.673 -8.128 1.138 72 H LYS 13 H LYS 13 -6.693 -5.790 0.112 73 HA LYS 13 HA LYS 13 -8.767 -3.741 0.424 74 HB2 LYS 13 1HB LYS 13 -6.385 -4.066 2.255 75 HB3 LYS 13 2HB LYS 13 -7.311 -2.572 2.128 76 HG2 LYS 13 1HG LYS 13 -9.361 -3.777 2.783 77 HG3 LYS 13 2HG LYS 13 -8.450 -5.281 2.893 78 HD2 LYS 13 1HD LYS 13 -7.036 -4.307 4.653 79 HD3 LYS 13 2HD LYS 13 -7.943 -2.796 4.550 80 HE2 LYS 13 1HE LYS 13 -10.010 -3.996 5.175 81 HE3 LYS 13 2HE LYS 13 -9.103 -5.504 5.278 82 HZ1 LYS 13 3HZ LYS 13 -8.943 -4.883 7.425 83 HZ2 LYS 13 1HZ LYS 13 -9.140 -3.232 7.093 84 HZ3 LYS 13 2HZ LYS 13 -7.630 -3.971 6.848 85 H LYS 14 H LYS 14 -7.864 -1.523 0.011 86 HA LYS 14 HA LYS 14 -5.633 -1.625 -1.931 87 HB2 LYS 14 1HB LYS 14 -8.092 0.143 -1.877 88 HB3 LYS 14 2HB LYS 14 -6.759 0.309 -3.018 89 HG2 LYS 14 1HG LYS 14 -7.163 -1.986 -3.836 90 HG3 LYS 14 2HG LYS 14 -8.496 -2.159 -2.692 91 HD2 LYS 14 1HD LYS 14 -9.669 -0.273 -3.764 92 HD3 LYS 14 2HD LYS 14 -8.338 -0.095 -4.909 93 HE2 LYS 14 1HE LYS 14 -8.737 -2.364 -5.755 94 HE3 LYS 14 2HE LYS 14 -10.046 -2.582 -4.593 95 HZ1 LYS 14 3HZ LYS 14 -11.441 -1.379 -5.827 96 HZ2 LYS 14 1HZ LYS 14 -10.343 -1.629 -7.096 97 HZ3 LYS 14 2HZ LYS 14 -10.277 -0.195 -6.188 98 H CYS 15 H CYS 15 -4.072 -0.111 -1.807 99 HA CYS 15 HA CYS 15 -3.529 1.044 0.711 100 HB2 CYS 15 2HB CYS 15 -1.930 0.405 -1.250 101 HB3 CYS 15 1HB CYS 15 -2.300 2.019 -1.842 102 H CYS 16 H CYS 16 -3.980 3.031 1.533 103 HA CYS 16 HA CYS 16 -6.058 4.601 0.626 104 HB2 CYS 16 2HB CYS 16 -4.282 4.663 2.767 105 HB3 CYS 16 1HB CYS 16 -4.030 6.208 1.951 106 H ASP 17 H ASP 17 -2.662 5.624 0.435 107 HA ASP 17 HA ASP 17 -3.374 7.271 -1.903 108 HB2 ASP 17 1HB ASP 17 -1.076 7.366 0.051 109 HB3 ASP 17 2HB ASP 17 -1.074 8.287 -1.451 110 H LEU 18 H LEU 18 -3.294 5.841 -3.595 111 HA LEU 18 HA LEU 18 -1.080 4.008 -3.915 112 HB2 LEU 18 1HB LEU 18 -3.426 4.741 -5.682 113 HB3 LEU 18 2HB LEU 18 -2.216 3.534 -6.119 114 HG LEU 18 HG LEU 18 -3.565 3.330 -3.448 115 HD11 LEU 18 1HD1 LEU 18 -4.723 2.355 -6.080 116 HD12 LEU 18 2HD1 LEU 18 -5.407 3.630 -5.073 117 HD13 LEU 18 3HD1 LEU 18 -5.357 1.970 -4.479 118 HD21 LEU 18 3HD2 LEU 18 -3.186 0.928 -3.846 119 HD22 LEU 18 1HD2 LEU 18 -1.677 1.811 -4.074 120 HD23 LEU 18 2HD2 LEU 18 -2.606 1.277 -5.474 121 H ASP 19 H ASP 19 -1.602 7.269 -4.547 122 HA ASP 19 HA ASP 19 0.098 7.393 -6.907 123 HB2 ASP 19 1HB ASP 19 -0.298 9.805 -6.787 124 HB3 ASP 19 2HB ASP 19 -1.820 8.922 -6.693 125 H ASN 20 H ASN 20 0.645 6.994 -3.693 126 HA ASN 20 HA ASN 20 3.301 8.275 -3.875 127 HB2 ASN 20 1HB ASN 20 1.484 8.188 -1.459 128 HB3 ASN 20 2HB ASN 20 3.140 8.775 -1.447 129 HD21 ASN 20 1HD2 ASN 20 0.196 11.244 -2.498 130 HD22 ASN 20 2HD2 ASN 20 -0.058 9.752 -1.741 131 H PHE 21 H PHE 21 1.313 5.648 -2.668 132 HA PHE 21 HA PHE 21 3.792 4.185 -1.993 133 HB2 PHE 21 2HB PHE 21 1.012 3.812 -0.853 134 HB3 PHE 21 1HB PHE 21 2.445 2.880 -0.412 135 HD1 PHE 21 1HD PHE 21 0.946 6.273 -0.399 136 HD2 PHE 21 2HD PHE 21 4.103 3.774 1.129 137 HE1 PHE 21 1HE PHE 21 1.525 8.008 1.265 138 HE2 PHE 21 2HE PHE 21 4.659 5.514 2.779 139 HZ PHE 21 HZ PHE 21 3.389 7.633 2.847 140 H TYR 22 H TYR 22 3.979 2.052 -2.713 141 HA TYR 22 HA TYR 22 2.000 1.237 -4.763 142 HB2 TYR 22 2HB TYR 22 3.796 0.298 -6.043 143 HB3 TYR 22 1HB TYR 22 4.329 1.901 -5.557 144 HD1 TYR 22 1HD TYR 22 4.713 -1.721 -4.905 145 HD2 TYR 22 2HD TYR 22 6.066 2.241 -4.009 146 HE1 TYR 22 1HE TYR 22 6.726 -2.623 -3.904 147 HE2 TYR 22 2HE TYR 22 8.067 1.315 -2.956 148 HH TYR 22 HH TYR 22 9.427 -0.805 -3.066 149 H CYS 23 H CYS 23 1.851 -1.110 -5.101 150 HA CYS 23 HA CYS 23 2.050 -2.511 -2.536 151 HB2 CYS 23 2HB CYS 23 0.321 -3.029 -4.951 152 HB3 CYS 23 1HB CYS 23 0.413 -4.086 -3.538 153 HA PRO 24 HA PRO 24 5.642 -4.541 -4.557 154 HB2 PRO 24 2HB PRO 24 5.283 -6.245 -2.129 155 HB3 PRO 24 1HB PRO 24 6.749 -5.492 -2.769 156 HG2 PRO 24 2HG PRO 24 5.508 -4.511 -0.659 157 HG3 PRO 24 1HG PRO 24 6.288 -3.471 -1.841 158 HD2 PRO 24 2HD PRO 24 3.413 -3.963 -1.360 159 HD3 PRO 24 1HD PRO 24 4.233 -2.517 -1.973 160 H MET 25 H MET 25 5.963 -6.497 -5.629 161 HA MET 25 HA MET 25 3.530 -7.955 -6.254 162 HB2 MET 25 1HB MET 25 6.367 -8.300 -7.257 163 HB3 MET 25 2HB MET 25 4.953 -9.136 -7.899 164 HG2 MET 25 1HG MET 25 3.934 -6.973 -8.493 165 HG3 MET 25 2HG MET 25 5.333 -6.128 -7.833 166 HE1 MET 25 3HE MET 25 5.672 -5.617 -11.664 167 HE2 MET 25 1HE MET 25 5.734 -4.839 -10.077 168 HE3 MET 25 2HE MET 25 4.249 -5.609 -10.625 169 H GLU 26 H GLU 26 3.307 -8.801 -4.009 170 HA GLU 26 HA GLU 26 4.629 -11.401 -3.799 171 HB2 GLU 26 1HB GLU 26 4.552 -9.321 -1.604 172 HB3 GLU 26 2HB GLU 26 4.950 -11.018 -1.338 173 HG2 GLU 26 1HG GLU 26 6.821 -10.827 -2.944 174 HG3 GLU 26 2HG GLU 26 6.431 -9.125 -3.189 175 H PHE 27 H PHE 27 3.593 -12.527 -1.770 176 HA PHE 27 HA PHE 27 0.893 -13.006 -2.367 177 HB2 PHE 27 2HB PHE 27 2.283 -14.656 -1.204 178 HB3 PHE 27 1HB PHE 27 2.390 -13.596 0.201 179 HD1 PHE 27 1HD PHE 27 -0.161 -15.197 -2.033 180 HD2 PHE 27 2HD PHE 27 0.810 -13.822 1.919 181 HE1 PHE 27 1HE PHE 27 -2.306 -16.114 -1.187 182 HE2 PHE 27 2HE PHE 27 -1.334 -14.738 2.763 183 HZ PHE 27 HZ PHE 27 -2.891 -15.883 1.210 184 H ILE 28 H ILE 28 2.376 -11.089 0.228 185 HA ILE 28 HA ILE 28 -0.216 -9.722 0.608 186 HB ILE 28 HB ILE 28 0.611 -9.431 3.025 187 HG12 ILE 28 1HG1 ILE 28 2.173 -11.920 2.289 188 HG13 ILE 28 2HG1 ILE 28 2.916 -10.329 2.447 189 HG21 ILE 28 1HG2 ILE 28 -0.634 -11.754 1.669 190 HG22 ILE 28 2HG2 ILE 28 -1.242 -10.763 2.993 191 HG23 ILE 28 3HG2 ILE 28 -0.079 -12.047 3.319 192 HD11 ILE 28 3HD1 ILE 28 2.725 -10.314 4.724 193 HD12 ILE 28 1HD1 ILE 28 2.685 -12.066 4.515 194 HD13 ILE 28 2HD1 ILE 28 1.180 -11.165 4.701 195 HA PRO 29 HA PRO 29 3.077 -6.703 -0.736 196 HB2 PRO 29 2HB PRO 29 0.556 -5.344 -1.538 197 HB3 PRO 29 1HB PRO 29 2.059 -5.548 -2.450 198 HG2 PRO 29 2HG PRO 29 -0.102 -6.967 -3.031 199 HG3 PRO 29 1HG PRO 29 1.506 -7.707 -3.104 200 HD2 PRO 29 2HD PRO 29 -0.617 -8.024 -1.023 201 HD3 PRO 29 1HD PRO 29 0.544 -9.214 -1.643 202 H HIS 30 H HIS 30 3.654 -4.769 0.254 203 HA HIS 30 HA HIS 30 1.769 -3.721 2.299 204 HB2 HIS 30 1HB HIS 30 4.778 -3.999 2.548 205 HB3 HIS 30 2HB HIS 30 3.724 -3.227 3.724 206 HD1 HIS 30 HD1 HIS 30 4.853 -6.565 2.547 207 HD2 HIS 30 HD2 HIS 30 1.896 -5.018 5.045 208 HE1 HIS 30 HE1 HIS 30 3.964 -8.520 3.892 209 H CYS 31 H CYS 31 1.345 -1.607 2.170 210 HA CYS 31 HA CYS 31 2.048 -0.010 0.030 211 HB2 CYS 31 2HB CYS 31 1.335 0.743 2.856 212 HB3 CYS 31 1HB CYS 31 1.461 1.922 1.560 213 H LYS 32 H LYS 32 3.875 0.899 -0.603 214 HA LYS 32 HA LYS 32 5.842 1.738 1.421 215 HB2 LYS 32 1HB LYS 32 6.463 -0.511 0.487 216 HB3 LYS 32 2HB LYS 32 6.568 0.236 -1.087 217 HG2 LYS 32 1HG LYS 32 8.789 0.384 -0.405 218 HG3 LYS 32 2HG LYS 32 8.178 1.939 0.161 219 HD2 LYS 32 1HD LYS 32 9.144 1.213 2.113 220 HD3 LYS 32 2HD LYS 32 7.556 0.470 2.308 221 HE2 LYS 32 1HE LYS 32 9.122 -1.277 2.732 222 HE3 LYS 32 2HE LYS 32 8.529 -1.568 1.097 223 HZ1 LYS 32 3HZ LYS 32 10.773 0.199 1.144 224 HZ2 LYS 32 1HZ LYS 32 10.538 -1.223 0.250 225 HZ3 LYS 32 2HZ LYS 32 11.139 -1.308 1.837 226 H LYS 33 H LYS 33 6.547 3.722 1.086 227 HA LYS 33 HA LYS 33 5.615 5.307 -1.069 228 HB2 LYS 33 1HB LYS 33 7.543 6.859 -0.099 229 HB3 LYS 33 2HB LYS 33 6.006 6.632 0.738 230 HG2 LYS 33 1HG LYS 33 6.943 4.987 2.206 231 HG3 LYS 33 2HG LYS 33 8.416 4.874 1.246 232 HD2 LYS 33 1HD LYS 33 8.965 6.209 3.153 233 HD3 LYS 33 2HD LYS 33 8.805 7.335 1.805 234 HE2 LYS 33 1HE LYS 33 6.580 7.967 2.508 235 HE3 LYS 33 2HE LYS 33 6.549 6.699 3.733 236 HZ1 LYS 33 3HZ LYS 33 7.721 9.312 3.829 237 HZ2 LYS 33 1HZ LYS 33 8.814 8.097 4.286 238 HZ3 LYS 33 2HZ LYS 33 7.330 8.251 5.100 239 H TYR 34 H TYR 34 6.563 5.977 -2.912 240 HA TYR 34 HA TYR 34 9.351 5.442 -3.494 241 HB2 TYR 34 2HB TYR 34 8.976 3.997 -5.328 242 HB3 TYR 34 1HB TYR 34 8.067 3.323 -3.990 243 HD1 TYR 34 1HD TYR 34 7.855 3.638 -7.331 244 HD2 TYR 34 2HD TYR 34 5.558 4.816 -3.887 245 HE1 TYR 34 1HE TYR 34 5.808 3.787 -8.712 246 HE2 TYR 34 2HE TYR 34 3.549 4.951 -5.274 247 HH TYR 34 HH TYR 34 3.080 5.379 -7.769 248 H LYS 35 H LYS 35 9.917 6.250 -5.655 249 HA LYS 35 HA LYS 35 9.703 8.785 -6.227 250 HB2 LYS 35 1HB LYS 35 9.335 8.196 -8.746 251 HB3 LYS 35 2HB LYS 35 10.796 7.660 -7.919 252 HG2 LYS 35 1HG LYS 35 8.459 5.849 -7.738 253 HG3 LYS 35 2HG LYS 35 9.196 5.998 -9.330 254 HD2 LYS 35 1HD LYS 35 10.964 5.569 -6.935 255 HD3 LYS 35 2HD LYS 35 10.107 4.195 -7.635 256 HE2 LYS 35 1HE LYS 35 11.076 4.722 -9.849 257 HE3 LYS 35 2HE LYS 35 11.959 6.072 -9.137 258 HZ1 LYS 35 3HZ LYS 35 12.435 3.215 -8.915 259 HZ2 LYS 35 1HZ LYS 35 12.680 4.124 -7.503 260 HZ3 LYS 35 2HZ LYS 35 13.537 4.508 -8.918 261 HA PRO 36 HA PRO 36 5.090 9.074 -5.963 262 HB2 PRO 36 2HB PRO 36 5.878 11.884 -5.354 263 HB3 PRO 36 1HB PRO 36 4.757 10.818 -4.486 264 HG2 PRO 36 2HG PRO 36 7.153 11.380 -3.500 265 HG3 PRO 36 1HG PRO 36 6.451 9.761 -3.333 266 HD2 PRO 36 2HD PRO 36 8.582 10.710 -5.213 267 HD3 PRO 36 1HD PRO 36 8.450 9.168 -4.338 268 H TYR 37 H TYR 37 3.600 10.097 -7.357 269 HA TYR 37 HA TYR 37 4.820 11.281 -9.764 270 HB2 TYR 37 2HB TYR 37 2.145 9.944 -9.286 271 HB3 TYR 37 1HB TYR 37 2.596 10.723 -10.804 272 HD1 TYR 37 1HD TYR 37 3.654 8.087 -8.390 273 HD2 TYR 37 2HD TYR 37 3.931 9.595 -12.403 274 HE1 TYR 37 1HE TYR 37 4.854 6.035 -9.077 275 HE2 TYR 37 2HE TYR 37 5.137 7.540 -13.092 276 HH TYR 37 HH TYR 37 5.866 5.540 -12.468 277 H VAL 38 H VAL 38 4.189 13.261 -10.539 278 HA VAL 38 HA VAL 38 2.235 14.781 -8.919 279 HB VAL 38 HB VAL 38 4.771 15.927 -10.086 280 HG11 VAL 38 1HG1 VAL 38 2.839 17.470 -9.725 281 HG12 VAL 38 2HG1 VAL 38 4.200 17.838 -8.666 282 HG13 VAL 38 3HG1 VAL 38 2.798 16.977 -8.032 283 HG21 VAL 38 3HG2 VAL 38 5.575 14.513 -8.385 284 HG22 VAL 38 1HG2 VAL 38 4.134 14.731 -7.394 285 HG23 VAL 38 2HG2 VAL 38 5.317 16.033 -7.528 286 HA PRO 39 HA PRO 39 1.257 14.988 -13.470 287 HB2 PRO 39 2HB PRO 39 -1.340 14.186 -13.277 288 HB3 PRO 39 1HB PRO 39 0.012 13.048 -13.427 289 HG2 PRO 39 2HG PRO 39 -1.537 13.842 -11.021 290 HG3 PRO 39 1HG PRO 39 -0.887 12.260 -11.476 291 HD2 PRO 39 2HD PRO 39 0.283 13.932 -9.642 292 HD3 PRO 39 1HD PRO 39 1.172 12.700 -10.564 293 H VAL 40 H VAL 40 -0.211 16.460 -14.563 294 HA VAL 40 HA VAL 40 -0.617 18.891 -13.144 295 HB VAL 40 HB VAL 40 -1.579 17.956 -15.855 296 HG11 VAL 40 1HG1 VAL 40 -3.045 19.693 -15.583 297 HG12 VAL 40 2HG1 VAL 40 -1.627 20.662 -15.980 298 HG13 VAL 40 3HG1 VAL 40 -2.092 20.430 -14.295 299 HG21 VAL 40 3HG2 VAL 40 0.417 18.694 -16.643 300 HG22 VAL 40 1HG2 VAL 40 0.957 18.608 -14.966 301 HG23 VAL 40 2HG2 VAL 40 0.378 20.136 -15.629 302 H THR 41 H THR 41 -2.295 19.555 -11.974 303 HA THR 41 HA THR 41 -4.876 18.136 -12.256 304 HB THR 41 HB THR 41 -3.598 19.152 -9.704 305 HG1 THR 41 1HG THR 41 -2.790 17.232 -9.692 306 HG21 THR 41 3HG2 THR 41 -5.852 19.401 -9.260 307 HG22 THR 41 1HG2 THR 41 -5.655 17.699 -8.851 308 HG23 THR 41 2HG2 THR 41 -6.327 18.157 -10.415 309 H THR 42 H THR 42 -6.594 19.390 -12.610 310 HA THR 42 HA THR 42 -6.616 22.169 -11.722 311 HB THR 42 HB THR 42 -7.359 21.818 -14.571 312 HG1 THR 42 1HG THR 42 -5.386 20.700 -14.432 313 HG21 THR 42 3HG2 THR 42 -6.631 24.074 -14.716 314 HG22 THR 42 1HG2 THR 42 -5.673 23.940 -13.242 315 HG23 THR 42 2HG2 THR 42 -7.434 23.954 -13.151 Start of MODEL 9 1 HA ASP 1 HA ASP 1 -10.543 2.652 6.441 2 HB2 ASP 1 1HB ASP 1 -12.197 0.436 5.216 3 HB3 ASP 1 2HB ASP 1 -10.667 0.127 6.034 4 H CYS 2 H CYS 2 -8.489 2.313 5.694 5 HA CYS 2 HA CYS 2 -8.047 1.457 2.941 6 HB2 CYS 2 2HB CYS 2 -6.757 3.396 2.316 7 HB3 CYS 2 1HB CYS 2 -8.354 3.945 2.828 8 H ALA 3 H ALA 3 -5.688 1.194 2.491 9 HA ALA 3 HA ALA 3 -4.377 0.138 4.878 10 HB1 ALA 3 3HB ALA 3 -2.816 -0.166 2.491 11 HB2 ALA 3 1HB ALA 3 -4.485 -0.619 2.153 12 HB3 ALA 3 2HB ALA 3 -3.605 -1.409 3.459 13 H LYS 4 H LYS 4 -3.064 1.413 5.998 14 HA LYS 4 HA LYS 4 -1.993 3.862 4.940 15 HB2 LYS 4 1HB LYS 4 -2.564 2.982 7.460 16 HB3 LYS 4 2HB LYS 4 -0.818 2.774 7.421 17 HG2 LYS 4 1HG LYS 4 -1.021 4.980 8.158 18 HG3 LYS 4 2HG LYS 4 -0.821 5.204 6.422 19 HD2 LYS 4 1HD LYS 4 -3.291 5.315 6.167 20 HD3 LYS 4 2HD LYS 4 -3.465 5.127 7.911 21 HE2 LYS 4 1HE LYS 4 -2.137 7.200 8.244 22 HE3 LYS 4 2HE LYS 4 -2.049 7.401 6.494 23 HZ1 LYS 4 3HZ LYS 4 -4.135 8.121 8.241 24 HZ2 LYS 4 1HZ LYS 4 -4.715 6.970 7.139 25 HZ3 LYS 4 2HZ LYS 4 -4.003 8.404 6.571 26 H GLU 5 H GLU 5 0.538 4.053 5.899 27 HA GLU 5 HA GLU 5 2.067 2.744 3.909 28 HB2 GLU 5 1HB GLU 5 2.863 4.832 4.695 29 HB3 GLU 5 2HB GLU 5 2.834 4.298 6.375 30 HG2 GLU 5 1HG GLU 5 4.687 2.853 6.063 31 HG3 GLU 5 2HG GLU 5 4.555 2.918 4.310 32 H GLY 6 H GLY 6 3.001 0.833 3.859 33 HA2 GLY 6 1HA GLY 6 4.057 -1.092 4.575 34 HA3 GLY 6 2HA GLY 6 3.950 -0.515 6.226 35 H GLU 7 H GLU 7 0.933 -0.198 4.906 36 HA GLU 7 HA GLU 7 -0.017 -2.538 6.347 37 HB2 GLU 7 1HB GLU 7 -1.551 -0.396 4.855 38 HB3 GLU 7 2HB GLU 7 -2.260 -1.646 5.872 39 HG2 GLU 7 1HG GLU 7 -0.206 0.351 6.854 40 HG3 GLU 7 2HG GLU 7 -1.942 0.557 7.052 41 H VAL 8 H VAL 8 -1.357 -4.150 5.421 42 HA VAL 8 HA VAL 8 -0.400 -5.175 2.986 43 HB VAL 8 HB VAL 8 -2.871 -5.841 4.595 44 HG11 VAL 8 1HG1 VAL 8 -1.729 -7.048 2.080 45 HG12 VAL 8 2HG1 VAL 8 -3.406 -6.639 2.444 46 HG13 VAL 8 3HG1 VAL 8 -2.650 -8.032 3.218 47 HG21 VAL 8 3HG2 VAL 8 -1.535 -7.750 5.335 48 HG22 VAL 8 1HG2 VAL 8 -0.639 -6.264 5.645 49 HG23 VAL 8 2HG2 VAL 8 -0.217 -7.278 4.265 50 H CYS 9 H CYS 9 -1.064 -4.978 0.898 51 HA CYS 9 HA CYS 9 -3.648 -3.635 0.391 52 HB2 CYS 9 2HB CYS 9 -2.665 -2.100 -1.189 53 HB3 CYS 9 1HB CYS 9 -1.799 -1.933 0.336 54 H SER 10 H SER 10 -4.276 -3.829 -1.939 55 HA SER 10 HA SER 10 -4.514 -5.008 -3.915 56 HB2 SER 10 1HB SER 10 -1.850 -5.208 -3.510 57 HB3 SER 10 2HB SER 10 -2.309 -6.900 -3.395 58 HG SER 10 HG SER 10 -1.875 -6.266 -5.551 59 H TRP 11 H TRP 11 -3.837 -6.697 -0.920 60 HA TRP 11 HA TRP 11 -5.015 -9.188 -1.677 61 HB2 TRP 11 2HB TRP 11 -3.708 -8.105 0.611 62 HB3 TRP 11 1HB TRP 11 -5.239 -8.781 1.143 63 HD1 TRP 11 1HD TRP 11 -1.873 -9.842 0.839 64 HE1 TRP 11 1HE TRP 11 -1.660 -12.378 0.406 65 HE3 TRP 11 3HE TRP 11 -6.644 -10.874 -0.608 66 HZ2 TRP 11 2HZ TRP 11 -3.313 -14.560 -0.445 67 HZ3 TRP 11 3HZ TRP 11 -7.307 -13.187 -1.226 68 HH2 TRP 11 2HH TRP 11 -5.647 -15.028 -1.146 69 H GLY 12 H GLY 12 -6.577 -6.725 -2.236 70 HA2 GLY 12 1HA GLY 12 -8.978 -6.780 -2.487 71 HA3 GLY 12 2HA GLY 12 -9.085 -7.571 -0.920 72 H LYS 13 H LYS 13 -6.757 -5.253 -0.652 73 HA LYS 13 HA LYS 13 -8.685 -3.207 0.280 74 HB2 LYS 13 1HB LYS 13 -6.028 -3.999 1.503 75 HB3 LYS 13 2HB LYS 13 -7.019 -2.636 2.023 76 HG2 LYS 13 1HG LYS 13 -8.824 -4.089 2.671 77 HG3 LYS 13 2HG LYS 13 -8.050 -5.481 1.918 78 HD2 LYS 13 1HD LYS 13 -7.663 -5.660 4.288 79 HD3 LYS 13 2HD LYS 13 -6.136 -5.182 3.548 80 HE2 LYS 13 1HE LYS 13 -6.447 -2.882 4.225 81 HE3 LYS 13 2HE LYS 13 -8.093 -3.212 4.767 82 HZ1 LYS 13 3HZ LYS 13 -6.602 -5.032 6.111 83 HZ2 LYS 13 1HZ LYS 13 -7.159 -3.560 6.743 84 HZ3 LYS 13 2HZ LYS 13 -5.592 -3.667 6.097 85 H LYS 14 H LYS 14 -8.197 -1.075 -0.123 86 HA LYS 14 HA LYS 14 -6.089 -0.627 -2.140 87 HB2 LYS 14 1HB LYS 14 -8.543 0.986 -1.398 88 HB3 LYS 14 2HB LYS 14 -7.342 1.489 -2.589 89 HG2 LYS 14 1HG LYS 14 -7.775 -0.542 -3.907 90 HG3 LYS 14 2HG LYS 14 -8.960 -1.073 -2.713 91 HD2 LYS 14 1HD LYS 14 -10.339 0.904 -3.161 92 HD3 LYS 14 2HD LYS 14 -9.139 1.501 -4.308 93 HE2 LYS 14 1HE LYS 14 -10.975 0.378 -5.498 94 HE3 LYS 14 2HE LYS 14 -9.472 -0.523 -5.698 95 HZ1 LYS 14 3HZ LYS 14 -11.907 -1.342 -4.490 96 HZ2 LYS 14 1HZ LYS 14 -10.622 -1.497 -3.395 97 HZ3 LYS 14 2HZ LYS 14 -10.548 -2.272 -4.906 98 H CYS 15 H CYS 15 -4.409 0.650 -1.758 99 HA CYS 15 HA CYS 15 -3.823 1.468 0.914 100 HB2 CYS 15 2HB CYS 15 -2.225 0.746 -1.003 101 HB3 CYS 15 1HB CYS 15 -2.359 2.419 -1.532 102 H CYS 16 H CYS 16 -4.259 3.359 1.881 103 HA CYS 16 HA CYS 16 -6.061 5.211 1.083 104 HB2 CYS 16 2HB CYS 16 -4.079 5.064 3.119 105 HB3 CYS 16 1HB CYS 16 -4.027 6.686 2.427 106 H ASP 17 H ASP 17 -2.661 5.172 0.197 107 HA ASP 17 HA ASP 17 -3.255 7.202 -1.862 108 HB2 ASP 17 1HB ASP 17 -0.982 7.200 0.114 109 HB3 ASP 17 2HB ASP 17 -0.873 8.062 -1.419 110 H LEU 18 H LEU 18 -3.376 5.471 -3.356 111 HA LEU 18 HA LEU 18 -1.246 3.613 -3.738 112 HB2 LEU 18 1HB LEU 18 -3.584 4.471 -5.444 113 HB3 LEU 18 2HB LEU 18 -2.416 3.272 -5.993 114 HG LEU 18 HG LEU 18 -3.779 2.994 -3.311 115 HD11 LEU 18 1HD1 LEU 18 -4.782 2.040 -6.013 116 HD12 LEU 18 2HD1 LEU 18 -5.576 3.213 -4.961 117 HD13 LEU 18 3HD1 LEU 18 -5.438 1.529 -4.458 118 HD21 LEU 18 3HD2 LEU 18 -2.765 0.954 -3.281 119 HD22 LEU 18 1HD2 LEU 18 -1.764 1.556 -4.601 120 HD23 LEU 18 2HD2 LEU 18 -3.215 0.627 -4.950 121 H ASP 19 H ASP 19 -1.757 6.881 -4.674 122 HA ASP 19 HA ASP 19 -0.037 6.885 -6.973 123 HB2 ASP 19 1HB ASP 19 -1.123 9.096 -5.218 124 HB3 ASP 19 2HB ASP 19 -0.141 9.384 -6.653 125 H ASN 20 H ASN 20 0.358 7.543 -3.526 126 HA ASN 20 HA ASN 20 3.173 8.252 -3.936 127 HB2 ASN 20 1HB ASN 20 1.470 8.247 -1.448 128 HB3 ASN 20 2HB ASN 20 3.137 8.783 -1.521 129 HD21 ASN 20 1HD2 ASN 20 0.406 11.472 -2.185 130 HD22 ASN 20 2HD2 ASN 20 0.285 10.119 -1.180 131 H PHE 21 H PHE 21 1.197 5.616 -2.940 132 HA PHE 21 HA PHE 21 3.608 4.133 -2.105 133 HB2 PHE 21 2HB PHE 21 0.755 3.837 -1.149 134 HB3 PHE 21 1HB PHE 21 2.054 2.715 -0.753 135 HD1 PHE 21 1HD PHE 21 1.042 6.293 -0.516 136 HD2 PHE 21 2HD PHE 21 3.579 3.188 1.000 137 HE1 PHE 21 1HE PHE 21 1.728 7.768 1.349 138 HE2 PHE 21 2HE PHE 21 4.277 4.671 2.854 139 HZ PHE 21 HZ PHE 21 3.353 6.958 3.033 140 H TYR 22 H TYR 22 3.650 1.871 -2.645 141 HA TYR 22 HA TYR 22 1.853 1.116 -4.866 142 HB2 TYR 22 2HB TYR 22 3.694 0.268 -6.131 143 HB3 TYR 22 1HB TYR 22 4.149 1.881 -5.632 144 HD1 TYR 22 1HD TYR 22 4.590 -1.731 -4.797 145 HD2 TYR 22 2HD TYR 22 5.995 2.271 -4.267 146 HE1 TYR 22 1HE TYR 22 6.654 -2.576 -3.845 147 HE2 TYR 22 2HE TYR 22 8.051 1.419 -3.259 148 HH TYR 22 HH TYR 22 9.292 -0.396 -2.844 149 H CYS 23 H CYS 23 1.808 -1.230 -5.261 150 HA CYS 23 HA CYS 23 1.965 -2.693 -2.730 151 HB2 CYS 23 2HB CYS 23 0.368 -3.140 -5.236 152 HB3 CYS 23 1HB CYS 23 0.477 -4.330 -3.943 153 HA PRO 24 HA PRO 24 5.705 -4.587 -4.615 154 HB2 PRO 24 2HB PRO 24 5.374 -6.287 -2.193 155 HB3 PRO 24 1HB PRO 24 6.811 -5.453 -2.789 156 HG2 PRO 24 2HG PRO 24 5.454 -4.560 -0.706 157 HG3 PRO 24 1HG PRO 24 6.224 -3.474 -1.843 158 HD2 PRO 24 2HD PRO 24 3.346 -4.105 -1.495 159 HD3 PRO 24 1HD PRO 24 4.122 -2.621 -2.061 160 H MET 25 H MET 25 6.146 -6.579 -5.592 161 HA MET 25 HA MET 25 3.794 -8.213 -6.157 162 HB2 MET 25 1HB MET 25 6.607 -8.211 -7.275 163 HB3 MET 25 2HB MET 25 5.354 -9.345 -7.783 164 HG2 MET 25 1HG MET 25 3.898 -7.355 -8.334 165 HG3 MET 25 2HG MET 25 5.295 -6.326 -8.029 166 HE1 MET 25 3HE MET 25 7.828 -7.906 -9.245 167 HE2 MET 25 1HE MET 25 7.320 -6.215 -9.181 168 HE3 MET 25 2HE MET 25 7.762 -6.947 -10.720 169 H GLU 26 H GLU 26 3.587 -9.170 -4.037 170 HA GLU 26 HA GLU 26 5.167 -11.592 -3.781 171 HB2 GLU 26 1HB GLU 26 5.728 -11.178 -1.426 172 HB3 GLU 26 2HB GLU 26 6.463 -9.960 -2.470 173 HG2 GLU 26 1HG GLU 26 4.531 -8.447 -1.985 174 HG3 GLU 26 2HG GLU 26 3.921 -9.645 -0.847 175 H PHE 27 H PHE 27 4.332 -12.703 -1.620 176 HA PHE 27 HA PHE 27 1.649 -13.396 -2.057 177 HB2 PHE 27 2HB PHE 27 3.237 -14.875 -0.899 178 HB3 PHE 27 1HB PHE 27 3.299 -13.750 0.458 179 HD1 PHE 27 1HD PHE 27 0.884 -15.742 -1.586 180 HD2 PHE 27 2HD PHE 27 1.756 -13.959 2.223 181 HE1 PHE 27 1HE PHE 27 -1.144 -16.800 -0.629 182 HE2 PHE 27 2HE PHE 27 -0.276 -15.011 3.180 183 HZ PHE 27 HZ PHE 27 -1.727 -16.432 1.753 184 H ILE 28 H ILE 28 3.108 -11.279 0.399 185 HA ILE 28 HA ILE 28 0.435 -10.118 0.873 186 HB ILE 28 HB ILE 28 1.378 -9.635 3.220 187 HG12 ILE 28 1HG1 ILE 28 3.124 -12.000 2.491 188 HG13 ILE 28 2HG1 ILE 28 3.721 -10.341 2.524 189 HG21 ILE 28 1HG2 ILE 28 0.294 -12.140 2.065 190 HG22 ILE 28 2HG2 ILE 28 -0.326 -11.147 3.384 191 HG23 ILE 28 3HG2 ILE 28 0.984 -12.287 3.682 192 HD11 ILE 28 3HD1 ILE 28 2.517 -11.873 4.848 193 HD12 ILE 28 1HD1 ILE 28 2.963 -10.168 4.904 194 HD13 ILE 28 2HD1 ILE 28 4.205 -11.397 4.666 195 HA PRO 29 HA PRO 29 3.295 -6.802 -0.741 196 HB2 PRO 29 2HB PRO 29 0.618 -5.746 -1.488 197 HB3 PRO 29 1HB PRO 29 2.098 -5.835 -2.456 198 HG2 PRO 29 2HG PRO 29 0.067 -7.482 -2.894 199 HG3 PRO 29 1HG PRO 29 1.743 -8.059 -3.008 200 HD2 PRO 29 2HD PRO 29 -0.259 -8.490 -0.814 201 HD3 PRO 29 1HD PRO 29 0.969 -9.604 -1.453 202 H HIS 30 H HIS 30 3.660 -4.768 0.144 203 HA HIS 30 HA HIS 30 1.680 -3.815 2.132 204 HB2 HIS 30 1HB HIS 30 4.684 -3.849 2.470 205 HB3 HIS 30 2HB HIS 30 3.541 -3.104 3.574 206 HD1 HIS 30 HD1 HIS 30 4.881 -6.415 2.512 207 HD2 HIS 30 HD2 HIS 30 1.890 -4.952 5.020 208 HE1 HIS 30 HE1 HIS 30 4.132 -8.364 3.945 209 H CYS 31 H CYS 31 1.539 -1.574 2.385 210 HA CYS 31 HA CYS 31 2.000 -0.045 0.034 211 HB2 CYS 31 2HB CYS 31 1.257 0.699 2.853 212 HB3 CYS 31 1HB CYS 31 1.415 1.903 1.586 213 H LYS 32 H LYS 32 3.910 0.692 -0.672 214 HA LYS 32 HA LYS 32 5.885 1.622 1.349 215 HB2 LYS 32 1HB LYS 32 6.458 0.295 -1.291 216 HB3 LYS 32 2HB LYS 32 7.672 0.905 -0.184 217 HG2 LYS 32 1HG LYS 32 5.692 -1.302 0.392 218 HG3 LYS 32 2HG LYS 32 7.388 -1.536 0.008 219 HD2 LYS 32 1HD LYS 32 7.848 0.058 2.017 220 HD3 LYS 32 2HD LYS 32 6.187 -0.309 2.489 221 HE2 LYS 32 1HE LYS 32 6.700 -2.705 2.495 222 HE3 LYS 32 2HE LYS 32 8.355 -2.363 2.006 223 HZ1 LYS 32 3HZ LYS 32 7.487 -0.876 4.314 224 HZ2 LYS 32 1HZ LYS 32 8.916 -1.757 4.064 225 HZ3 LYS 32 2HZ LYS 32 7.502 -2.559 4.555 226 H LYS 33 H LYS 33 6.443 3.695 1.171 227 HA LYS 33 HA LYS 33 5.368 5.340 -0.883 228 HB2 LYS 33 1HB LYS 33 5.814 6.128 1.427 229 HB3 LYS 33 2HB LYS 33 7.542 6.013 1.103 230 HG2 LYS 33 1HG LYS 33 7.418 7.688 -0.613 231 HG3 LYS 33 2HG LYS 33 5.653 7.660 -0.593 232 HD2 LYS 33 1HD LYS 33 6.875 8.210 2.033 233 HD3 LYS 33 2HD LYS 33 7.192 9.448 0.816 234 HE2 LYS 33 1HE LYS 33 4.821 9.709 0.381 235 HE3 LYS 33 2HE LYS 33 4.435 8.353 1.435 236 HZ1 LYS 33 3HZ LYS 33 6.030 10.256 2.799 237 HZ2 LYS 33 1HZ LYS 33 4.483 9.682 3.192 238 HZ3 LYS 33 2HZ LYS 33 4.653 11.009 2.146 239 H TYR 34 H TYR 34 6.142 5.928 -2.776 240 HA TYR 34 HA TYR 34 8.999 5.796 -3.340 241 HB2 TYR 34 2HB TYR 34 8.808 4.343 -5.155 242 HB3 TYR 34 1HB TYR 34 7.829 3.615 -3.910 243 HD1 TYR 34 1HD TYR 34 7.887 4.108 -7.277 244 HD2 TYR 34 2HD TYR 34 5.283 4.820 -3.932 245 HE1 TYR 34 1HE TYR 34 5.926 4.117 -8.785 246 HE2 TYR 34 2HE TYR 34 3.339 4.826 -5.438 247 HH TYR 34 HH TYR 34 2.809 5.175 -7.769 248 H LYS 35 H LYS 35 6.063 7.323 -3.549 249 HA LYS 35 HA LYS 35 7.071 9.111 -5.674 250 HB2 LYS 35 1HB LYS 35 4.627 7.596 -5.621 251 HB3 LYS 35 2HB LYS 35 4.267 9.318 -5.685 252 HG2 LYS 35 1HG LYS 35 4.510 8.414 -7.934 253 HG3 LYS 35 2HG LYS 35 5.796 9.569 -7.600 254 HD2 LYS 35 1HD LYS 35 7.428 7.954 -7.610 255 HD3 LYS 35 2HD LYS 35 6.363 6.730 -6.923 256 HE2 LYS 35 1HE LYS 35 6.297 7.748 -9.783 257 HE3 LYS 35 2HE LYS 35 6.937 6.192 -9.262 258 HZ1 LYS 35 3HZ LYS 35 4.897 5.401 -9.519 259 HZ2 LYS 35 1HZ LYS 35 4.246 6.950 -9.762 260 HZ3 LYS 35 2HZ LYS 35 4.414 6.339 -8.187 261 HA PRO 36 HA PRO 36 6.158 11.559 -1.841 262 HB2 PRO 36 2HB PRO 36 8.638 12.598 -1.469 263 HB3 PRO 36 1HB PRO 36 8.180 10.995 -0.855 264 HG2 PRO 36 2HG PRO 36 9.789 11.721 -3.244 265 HG3 PRO 36 1HG PRO 36 9.976 10.367 -2.118 266 HD2 PRO 36 2HD PRO 36 8.794 10.178 -4.620 267 HD3 PRO 36 1HD PRO 36 8.532 9.033 -3.290 268 H TYR 37 H TYR 37 6.683 14.003 -1.541 269 HA TYR 37 HA TYR 37 6.441 15.318 -4.179 270 HB2 TYR 37 2HB TYR 37 5.411 16.097 -1.445 271 HB3 TYR 37 1HB TYR 37 5.274 17.108 -2.885 272 HD1 TYR 37 1HD TYR 37 4.345 13.816 -1.429 273 HD2 TYR 37 2HD TYR 37 3.624 16.675 -4.553 274 HE1 TYR 37 1HE TYR 37 2.315 12.567 -2.107 275 HE2 TYR 37 2HE TYR 37 1.601 15.416 -5.240 276 HH TYR 37 HH TYR 37 -0.065 13.725 -3.838 277 H VAL 38 H VAL 38 7.757 17.043 -4.673 278 HA VAL 38 HA VAL 38 10.237 17.206 -3.348 279 HB VAL 38 HB VAL 38 9.018 19.155 -5.307 280 HG11 VAL 38 1HG1 VAL 38 11.440 19.607 -5.805 281 HG12 VAL 38 2HG1 VAL 38 11.861 18.611 -4.413 282 HG13 VAL 38 3HG1 VAL 38 10.947 20.101 -4.185 283 HG21 VAL 38 3HG2 VAL 38 10.975 17.449 -6.475 284 HG22 VAL 38 1HG2 VAL 38 9.251 17.515 -6.838 285 HG23 VAL 38 2HG2 VAL 38 9.851 16.415 -5.595 286 HA PRO 39 HA PRO 39 8.782 20.143 -0.221 287 HB2 PRO 39 2HB PRO 39 11.068 20.367 1.220 288 HB3 PRO 39 1HB PRO 39 10.021 18.936 1.309 289 HG2 PRO 39 2HG PRO 39 12.569 19.328 -0.178 290 HG3 PRO 39 1HG PRO 39 11.988 17.913 0.716 291 HD2 PRO 39 2HD PRO 39 11.865 18.149 -2.021 292 HD3 PRO 39 1HD PRO 39 10.766 17.122 -1.061 293 H VAL 40 H VAL 40 9.304 22.344 0.494 294 HA VAL 40 HA VAL 40 11.077 23.804 -1.371 295 HB VAL 40 HB VAL 40 9.430 25.659 -1.338 296 HG11 VAL 40 1HG1 VAL 40 7.596 23.666 -2.285 297 HG12 VAL 40 2HG1 VAL 40 9.238 23.152 -2.679 298 HG13 VAL 40 3HG1 VAL 40 8.649 24.721 -3.227 299 HG21 VAL 40 3HG2 VAL 40 8.318 25.206 0.772 300 HG22 VAL 40 1HG2 VAL 40 7.788 23.623 0.203 301 HG23 VAL 40 2HG2 VAL 40 7.118 25.088 -0.514 302 H THR 41 H THR 41 11.926 25.808 -0.547 303 HA THR 41 HA THR 41 12.819 25.626 2.142 304 HB THR 41 HB THR 41 14.059 26.740 0.264 305 HG1 THR 41 1HG THR 41 14.712 27.190 2.327 306 HG21 THR 41 3HG2 THR 41 11.914 27.948 -0.505 307 HG22 THR 41 1HG2 THR 41 13.415 28.874 -0.526 308 HG23 THR 41 2HG2 THR 41 12.256 29.101 0.784 309 H THR 42 H THR 42 10.235 27.409 0.560 310 HA THR 42 HA THR 42 9.609 28.931 2.956 311 HB THR 42 HB THR 42 7.624 28.870 0.785 312 HG1 THR 42 1HG THR 42 9.355 30.349 -0.293 313 HG21 THR 42 3HG2 THR 42 7.624 31.217 1.157 314 HG22 THR 42 1HG2 THR 42 9.230 31.179 1.885 315 HG23 THR 42 2HG2 THR 42 7.852 30.499 2.752 Start of MODEL 10 1 HA ASP 1 HA ASP 1 -12.079 2.778 5.423 2 HB2 ASP 1 1HB ASP 1 -10.327 5.184 5.520 3 HB3 ASP 1 2HB ASP 1 -12.071 5.075 5.293 4 H CYS 2 H CYS 2 -8.593 2.988 5.731 5 HA CYS 2 HA CYS 2 -8.263 1.895 3.055 6 HB2 CYS 2 2HB CYS 2 -6.710 3.664 2.344 7 HB3 CYS 2 1HB CYS 2 -8.331 4.303 2.604 8 H ALA 3 H ALA 3 -5.966 1.340 2.609 9 HA ALA 3 HA ALA 3 -4.743 0.274 5.012 10 HB1 ALA 3 3HB ALA 3 -4.753 -0.371 2.231 11 HB2 ALA 3 1HB ALA 3 -4.073 -1.299 3.567 12 HB3 ALA 3 2HB ALA 3 -3.082 -0.103 2.729 13 H LYS 4 H LYS 4 -3.101 1.153 6.101 14 HA LYS 4 HA LYS 4 -1.955 3.667 5.175 15 HB2 LYS 4 1HB LYS 4 -1.597 2.120 7.756 16 HB3 LYS 4 2HB LYS 4 -0.882 3.695 7.422 17 HG2 LYS 4 1HG LYS 4 -3.137 4.649 7.089 18 HG3 LYS 4 2HG LYS 4 -3.850 3.072 7.440 19 HD2 LYS 4 1HD LYS 4 -2.830 3.108 9.689 20 HD3 LYS 4 2HD LYS 4 -2.121 4.686 9.341 21 HE2 LYS 4 1HE LYS 4 -4.373 5.638 9.031 22 HE3 LYS 4 2HE LYS 4 -5.089 4.062 9.367 23 HZ1 LYS 4 3HZ LYS 4 -4.122 4.104 11.562 24 HZ2 LYS 4 1HZ LYS 4 -5.064 5.495 11.325 25 HZ3 LYS 4 2HZ LYS 4 -3.370 5.595 11.242 26 H GLU 5 H GLU 5 0.530 3.834 5.900 27 HA GLU 5 HA GLU 5 1.990 2.342 4.023 28 HB2 GLU 5 1HB GLU 5 2.734 4.521 4.909 29 HB3 GLU 5 2HB GLU 5 3.029 3.775 6.478 30 HG2 GLU 5 1HG GLU 5 4.710 2.298 5.515 31 HG3 GLU 5 2HG GLU 5 4.362 2.901 3.897 32 H GLY 6 H GLY 6 2.964 0.438 4.070 33 HA2 GLY 6 1HA GLY 6 4.044 -1.426 4.949 34 HA3 GLY 6 2HA GLY 6 3.659 -0.879 6.562 35 H GLU 7 H GLU 7 0.801 -0.570 5.050 36 HA GLU 7 HA GLU 7 -0.107 -3.148 6.099 37 HB2 GLU 7 1HB GLU 7 -1.703 -0.798 5.050 38 HB3 GLU 7 2HB GLU 7 -2.371 -2.241 5.814 39 HG2 GLU 7 1HG GLU 7 -0.992 -1.733 7.848 40 HG3 GLU 7 2HG GLU 7 -0.509 -0.219 7.087 41 H VAL 8 H VAL 8 -1.289 -4.645 4.892 42 HA VAL 8 HA VAL 8 -0.397 -4.991 2.236 43 HB VAL 8 HB VAL 8 -2.593 -6.381 3.766 44 HG11 VAL 8 1HG1 VAL 8 -3.182 -7.151 1.711 45 HG12 VAL 8 2HG1 VAL 8 -1.709 -8.115 1.821 46 HG13 VAL 8 3HG1 VAL 8 -1.692 -6.575 0.966 47 HG21 VAL 8 3HG2 VAL 8 -0.880 -8.165 3.977 48 HG22 VAL 8 1HG2 VAL 8 -0.337 -6.658 4.714 49 HG23 VAL 8 2HG2 VAL 8 0.278 -7.139 3.134 50 H CYS 9 H CYS 9 -1.238 -4.479 0.302 51 HA CYS 9 HA CYS 9 -4.003 -3.404 0.279 52 HB2 CYS 9 2HB CYS 9 -3.407 -1.373 -0.506 53 HB3 CYS 9 1HB CYS 9 -1.839 -1.745 0.196 54 H SER 10 H SER 10 -4.216 -2.780 -2.376 55 HA SER 10 HA SER 10 -4.617 -3.681 -4.438 56 HB2 SER 10 1HB SER 10 -2.133 -3.868 -4.473 57 HB3 SER 10 2HB SER 10 -2.272 -5.504 -3.851 58 HG SER 10 HG SER 10 -3.551 -4.558 -6.201 59 H TRP 11 H TRP 11 -3.370 -6.821 -3.668 60 HA TRP 11 HA TRP 11 -5.754 -8.133 -4.297 61 HB2 TRP 11 2HB TRP 11 -4.703 -10.134 -3.599 62 HB3 TRP 11 1HB TRP 11 -3.385 -9.112 -4.172 63 HD1 TRP 11 1HD TRP 11 -1.735 -8.083 -2.339 64 HE1 TRP 11 1HE TRP 11 -1.289 -8.716 0.117 65 HE3 TRP 11 3HE TRP 11 -5.786 -11.037 -1.464 66 HZ2 TRP 11 2HZ TRP 11 -2.500 -10.288 2.188 67 HZ3 TRP 11 3HZ TRP 11 -6.125 -12.097 0.750 68 HH2 TRP 11 2HH TRP 11 -4.486 -11.727 2.576 69 H GLY 12 H GLY 12 -4.572 -6.814 -1.283 70 HA2 GLY 12 1HA GLY 12 -6.740 -8.081 0.244 71 HA3 GLY 12 2HA GLY 12 -5.407 -7.147 0.911 72 H LYS 13 H LYS 13 -5.443 -4.815 0.598 73 HA LYS 13 HA LYS 13 -8.182 -3.737 0.294 74 HB2 LYS 13 1HB LYS 13 -6.047 -3.009 2.307 75 HB3 LYS 13 2HB LYS 13 -7.488 -2.036 2.020 76 HG2 LYS 13 1HG LYS 13 -8.913 -3.980 2.578 77 HG3 LYS 13 2HG LYS 13 -7.468 -4.947 2.876 78 HD2 LYS 13 1HD LYS 13 -6.796 -3.400 4.677 79 HD3 LYS 13 2HD LYS 13 -8.235 -2.425 4.378 80 HE2 LYS 13 1HE LYS 13 -9.665 -4.358 4.933 81 HE3 LYS 13 2HE LYS 13 -8.231 -5.340 5.222 82 HZ1 LYS 13 3HZ LYS 13 -8.134 -4.552 7.272 83 HZ2 LYS 13 1HZ LYS 13 -9.532 -3.629 7.003 84 HZ3 LYS 13 2HZ LYS 13 -8.001 -2.961 6.687 85 H LYS 14 H LYS 14 -7.826 -1.126 0.314 86 HA LYS 14 HA LYS 14 -6.018 -0.618 -1.973 87 HB2 LYS 14 1HB LYS 14 -8.499 0.850 -1.039 88 HB3 LYS 14 2HB LYS 14 -7.480 1.351 -2.388 89 HG2 LYS 14 1HG LYS 14 -7.912 -0.790 -3.525 90 HG3 LYS 14 2HG LYS 14 -8.923 -1.307 -2.176 91 HD2 LYS 14 1HD LYS 14 -10.445 0.591 -2.585 92 HD3 LYS 14 2HD LYS 14 -9.436 1.107 -3.938 93 HE2 LYS 14 1HE LYS 14 -9.859 -1.035 -5.080 94 HE3 LYS 14 2HE LYS 14 -10.857 -1.565 -3.726 95 HZ1 LYS 14 3HZ LYS 14 -11.657 0.998 -4.663 96 HZ2 LYS 14 1HZ LYS 14 -12.575 -0.420 -4.499 97 HZ3 LYS 14 2HZ LYS 14 -11.688 -0.142 -5.923 98 H CYS 15 H CYS 15 -4.326 0.611 -1.691 99 HA CYS 15 HA CYS 15 -3.606 1.618 0.854 100 HB2 CYS 15 2HB CYS 15 -2.188 0.943 -1.279 101 HB3 CYS 15 1HB CYS 15 -2.347 2.658 -1.634 102 H CYS 16 H CYS 16 -3.914 3.561 1.761 103 HA CYS 16 HA CYS 16 -5.890 5.308 0.947 104 HB2 CYS 16 2HB CYS 16 -4.191 5.062 3.120 105 HB3 CYS 16 1HB CYS 16 -3.780 6.640 2.450 106 H ASP 17 H ASP 17 -2.572 5.168 -0.063 107 HA ASP 17 HA ASP 17 -3.096 7.378 -1.936 108 HB2 ASP 17 1HB ASP 17 -0.805 7.177 0.009 109 HB3 ASP 17 2HB ASP 17 -0.664 8.109 -1.481 110 H LEU 18 H LEU 18 -3.373 5.464 -3.326 111 HA LEU 18 HA LEU 18 -1.264 3.669 -3.904 112 HB2 LEU 18 1HB LEU 18 -3.670 4.568 -5.498 113 HB3 LEU 18 2HB LEU 18 -2.563 3.323 -6.064 114 HG LEU 18 HG LEU 18 -3.864 3.141 -3.337 115 HD11 LEU 18 1HD1 LEU 18 -4.934 2.069 -5.967 116 HD12 LEU 18 2HD1 LEU 18 -5.656 3.374 -5.024 117 HD13 LEU 18 3HD1 LEU 18 -5.608 1.736 -4.371 118 HD21 LEU 18 3HD2 LEU 18 -2.060 1.557 -3.644 119 HD22 LEU 18 1HD2 LEU 18 -2.603 1.164 -5.272 120 HD23 LEU 18 2HD2 LEU 18 -3.553 0.661 -3.878 121 H ASP 19 H ASP 19 -1.797 6.949 -4.770 122 HA ASP 19 HA ASP 19 -0.250 6.963 -7.185 123 HB2 ASP 19 1HB ASP 19 -1.171 9.150 -5.313 124 HB3 ASP 19 2HB ASP 19 -0.264 9.465 -6.791 125 H ASN 20 H ASN 20 0.433 7.606 -3.768 126 HA ASN 20 HA ASN 20 3.264 8.092 -4.443 127 HB2 ASN 20 1HB ASN 20 1.770 8.525 -1.848 128 HB3 ASN 20 2HB ASN 20 3.456 8.917 -2.126 129 HD21 ASN 20 1HD2 ASN 20 0.842 11.706 -2.888 130 HD22 ASN 20 2HD2 ASN 20 0.714 10.480 -1.730 131 H PHE 21 H PHE 21 1.152 5.719 -3.168 132 HA PHE 21 HA PHE 21 3.476 4.188 -2.180 133 HB2 PHE 21 2HB PHE 21 0.602 4.073 -1.262 134 HB3 PHE 21 1HB PHE 21 1.843 2.928 -0.775 135 HD1 PHE 21 1HD PHE 21 1.224 6.615 -0.938 136 HD2 PHE 21 2HD PHE 21 3.137 3.375 1.126 137 HE1 PHE 21 1HE PHE 21 1.940 8.180 0.843 138 HE2 PHE 21 2HE PHE 21 3.866 4.946 2.902 139 HZ PHE 21 HZ PHE 21 3.265 7.344 2.762 140 H TYR 22 H TYR 22 3.580 1.978 -2.672 141 HA TYR 22 HA TYR 22 1.772 1.095 -4.841 142 HB2 TYR 22 2HB TYR 22 3.608 0.233 -6.071 143 HB3 TYR 22 1HB TYR 22 4.091 1.846 -5.588 144 HD1 TYR 22 1HD TYR 22 4.625 -1.776 -4.983 145 HD2 TYR 22 2HD TYR 22 5.781 2.222 -3.959 146 HE1 TYR 22 1HE TYR 22 6.687 -2.609 -3.995 147 HE2 TYR 22 2HE TYR 22 7.831 1.379 -2.947 148 HH TYR 22 HH TYR 22 8.613 -0.836 -1.917 149 H CYS 23 H CYS 23 1.699 -1.238 -5.106 150 HA CYS 23 HA CYS 23 1.966 -2.599 -2.524 151 HB2 CYS 23 2HB CYS 23 -0.137 -2.504 -4.427 152 HB3 CYS 23 1HB CYS 23 0.458 -4.164 -4.340 153 HA PRO 24 HA PRO 24 5.548 -4.496 -4.698 154 HB2 PRO 24 2HB PRO 24 5.414 -6.193 -2.251 155 HB3 PRO 24 1HB PRO 24 6.801 -5.367 -2.968 156 HG2 PRO 24 2HG PRO 24 5.565 -4.478 -0.775 157 HG3 PRO 24 1HG PRO 24 6.346 -3.401 -1.920 158 HD2 PRO 24 2HD PRO 24 3.484 -3.843 -1.404 159 HD3 PRO 24 1HD PRO 24 4.283 -2.438 -2.125 160 H MET 25 H MET 25 6.131 -7.029 -4.750 161 HA MET 25 HA MET 25 3.652 -8.543 -5.292 162 HB2 MET 25 1HB MET 25 4.736 -9.486 -7.310 163 HB3 MET 25 2HB MET 25 4.497 -7.741 -7.431 164 HG2 MET 25 1HG MET 25 6.847 -7.393 -6.702 165 HG3 MET 25 2HG MET 25 7.077 -9.141 -6.664 166 HE1 MET 25 3HE MET 25 9.108 -8.060 -9.782 167 HE2 MET 25 1HE MET 25 9.113 -8.932 -8.243 168 HE3 MET 25 2HE MET 25 8.898 -7.184 -8.269 169 H GLU 26 H GLU 26 5.158 -8.758 -2.928 170 HA GLU 26 HA GLU 26 6.548 -11.351 -3.272 171 HB2 GLU 26 1HB GLU 26 7.906 -9.468 -2.333 172 HB3 GLU 26 2HB GLU 26 6.791 -9.406 -0.969 173 HG2 GLU 26 1HG GLU 26 7.324 -11.731 -0.395 174 HG3 GLU 26 2HG GLU 26 8.397 -11.843 -1.789 175 H PHE 27 H PHE 27 4.318 -12.268 -3.304 176 HA PHE 27 HA PHE 27 2.655 -13.491 -2.307 177 HB2 PHE 27 2HB PHE 27 4.770 -14.187 -0.969 178 HB3 PHE 27 1HB PHE 27 4.080 -13.197 0.314 179 HD1 PHE 27 1HD PHE 27 3.312 -16.018 -2.005 180 HD2 PHE 27 2HD PHE 27 2.313 -14.024 1.665 181 HE1 PHE 27 1HE PHE 27 1.765 -17.866 -1.421 182 HE2 PHE 27 2HE PHE 27 0.767 -15.870 2.250 183 HZ PHE 27 HZ PHE 27 0.491 -17.792 0.706 184 H ILE 28 H ILE 28 3.660 -11.300 0.326 185 HA ILE 28 HA ILE 28 0.897 -10.256 0.412 186 HB ILE 28 HB ILE 28 1.512 -9.787 2.874 187 HG12 ILE 28 1HG1 ILE 28 3.420 -12.076 2.318 188 HG13 ILE 28 2HG1 ILE 28 3.953 -10.403 2.465 189 HG21 ILE 28 1HG2 ILE 28 0.720 -12.311 1.520 190 HG22 ILE 28 2HG2 ILE 28 -0.161 -11.342 2.700 191 HG23 ILE 28 3HG2 ILE 28 1.118 -12.432 3.235 192 HD11 ILE 28 3HD1 ILE 28 2.916 -10.303 4.728 193 HD12 ILE 28 1HD1 ILE 28 4.187 -11.522 4.624 194 HD13 ILE 28 2HD1 ILE 28 2.493 -12.009 4.582 195 HA PRO 29 HA PRO 29 3.663 -6.725 -0.802 196 HB2 PRO 29 2HB PRO 29 0.957 -5.714 -1.521 197 HB3 PRO 29 1HB PRO 29 2.452 -5.682 -2.467 198 HG2 PRO 29 2HG PRO 29 0.483 -7.359 -3.041 199 HG3 PRO 29 1HG PRO 29 2.178 -7.861 -3.195 200 HD2 PRO 29 2HD PRO 29 0.188 -8.568 -1.082 201 HD3 PRO 29 1HD PRO 29 1.502 -9.548 -1.770 202 H HIS 30 H HIS 30 3.855 -4.655 0.127 203 HA HIS 30 HA HIS 30 1.807 -3.918 2.116 204 HB2 HIS 30 1HB HIS 30 4.788 -3.922 2.620 205 HB3 HIS 30 2HB HIS 30 3.581 -3.197 3.670 206 HD1 HIS 30 HD1 HIS 30 5.252 -6.360 3.055 207 HD2 HIS 30 HD2 HIS 30 1.552 -5.167 4.555 208 HE1 HIS 30 HE1 HIS 30 4.310 -8.357 4.296 209 H CYS 31 H CYS 31 1.336 -1.783 2.243 210 HA CYS 31 HA CYS 31 1.830 -0.095 0.094 211 HB2 CYS 31 2HB CYS 31 0.959 0.368 2.923 212 HB3 CYS 31 1HB CYS 31 1.268 1.745 1.876 213 H LYS 32 H LYS 32 3.681 0.774 -0.578 214 HA LYS 32 HA LYS 32 5.600 1.714 1.452 215 HB2 LYS 32 1HB LYS 32 6.442 -0.391 0.567 216 HB3 LYS 32 2HB LYS 32 6.227 0.181 -1.070 217 HG2 LYS 32 1HG LYS 32 8.591 0.353 -0.398 218 HG3 LYS 32 2HG LYS 32 7.921 1.954 -0.682 219 HD2 LYS 32 1HD LYS 32 7.705 2.379 1.677 220 HD3 LYS 32 2HD LYS 32 8.050 0.694 2.074 221 HE2 LYS 32 1HE LYS 32 10.335 0.970 1.174 222 HE3 LYS 32 2HE LYS 32 9.971 2.650 0.774 223 HZ1 LYS 32 3HZ LYS 32 10.600 3.169 2.821 224 HZ2 LYS 32 1HZ LYS 32 10.745 1.537 3.265 225 HZ3 LYS 32 2HZ LYS 32 9.249 2.328 3.415 226 H LYS 33 H LYS 33 6.204 3.776 1.177 227 HA LYS 33 HA LYS 33 5.158 5.281 -1.013 228 HB2 LYS 33 1HB LYS 33 5.674 6.036 1.443 229 HB3 LYS 33 2HB LYS 33 7.289 6.337 0.811 230 HG2 LYS 33 1HG LYS 33 6.411 7.845 -0.876 231 HG3 LYS 33 2HG LYS 33 4.752 7.458 -0.421 232 HD2 LYS 33 1HD LYS 33 5.329 8.308 1.914 233 HD3 LYS 33 2HD LYS 33 6.814 8.951 1.207 234 HE2 LYS 33 1HE LYS 33 4.015 9.587 0.224 235 HE3 LYS 33 2HE LYS 33 4.986 10.644 1.255 236 HZ1 LYS 33 3HZ LYS 33 6.222 11.296 -0.466 237 HZ2 LYS 33 1HZ LYS 33 5.006 10.644 -1.452 238 HZ3 LYS 33 2HZ LYS 33 6.383 9.719 -1.081 239 H TYR 34 H TYR 34 6.086 5.887 -2.866 240 HA TYR 34 HA TYR 34 8.982 5.646 -3.196 241 HB2 TYR 34 2HB TYR 34 8.863 4.265 -5.090 242 HB3 TYR 34 1HB TYR 34 7.803 3.508 -3.918 243 HD1 TYR 34 1HD TYR 34 8.072 4.497 -7.256 244 HD2 TYR 34 2HD TYR 34 5.259 4.494 -3.998 245 HE1 TYR 34 1HE TYR 34 6.200 4.655 -8.862 246 HE2 TYR 34 2HE TYR 34 3.397 4.611 -5.611 247 HH TYR 34 HH TYR 34 3.844 5.426 -8.876 248 H LYS 35 H LYS 35 9.136 6.111 -5.879 249 HA LYS 35 HA LYS 35 8.105 8.858 -6.037 250 HB2 LYS 35 1HB LYS 35 10.382 7.512 -7.496 251 HB3 LYS 35 2HB LYS 35 9.932 9.208 -7.649 252 HG2 LYS 35 1HG LYS 35 11.542 9.426 -6.015 253 HG3 LYS 35 2HG LYS 35 10.152 9.119 -4.980 254 HD2 LYS 35 1HD LYS 35 11.548 7.517 -4.119 255 HD3 LYS 35 2HD LYS 35 10.904 6.556 -5.452 256 HE2 LYS 35 1HE LYS 35 13.467 8.189 -5.485 257 HE3 LYS 35 2HE LYS 35 13.354 6.428 -5.433 258 HZ1 LYS 35 3HZ LYS 35 13.695 6.970 -7.669 259 HZ2 LYS 35 1HZ LYS 35 12.581 8.248 -7.633 260 HZ3 LYS 35 2HZ LYS 35 12.031 6.642 -7.558 261 HA PRO 36 HA PRO 36 5.623 6.871 -9.338 262 HB2 PRO 36 2HB PRO 36 3.592 8.657 -9.420 263 HB3 PRO 36 1HB PRO 36 3.720 7.426 -8.148 264 HG2 PRO 36 2HG PRO 36 4.399 10.318 -8.058 265 HG3 PRO 36 1HG PRO 36 3.638 9.296 -6.829 266 HD2 PRO 36 2HD PRO 36 6.306 10.008 -6.824 267 HD3 PRO 36 1HD PRO 36 5.656 8.577 -5.997 268 H TYR 37 H TYR 37 5.037 7.474 -11.523 269 HA TYR 37 HA TYR 37 6.374 9.925 -12.498 270 HB2 TYR 37 2HB TYR 37 6.361 7.189 -13.792 271 HB3 TYR 37 1HB TYR 37 7.054 8.649 -14.495 272 HD1 TYR 37 1HD TYR 37 7.421 6.072 -11.903 273 HD2 TYR 37 2HD TYR 37 9.073 9.675 -13.554 274 HE1 TYR 37 1HE TYR 37 9.526 5.678 -10.655 275 HE2 TYR 37 2HE TYR 37 11.178 9.283 -12.304 276 HH TYR 37 HH TYR 37 12.391 7.318 -11.321 277 H VAL 38 H VAL 38 5.384 10.995 -14.195 278 HA VAL 38 HA VAL 38 2.761 9.960 -15.083 279 HB VAL 38 HB VAL 38 2.364 11.651 -13.369 280 HG11 VAL 38 1HG1 VAL 38 3.615 13.518 -13.164 281 HG12 VAL 38 2HG1 VAL 38 3.421 13.922 -14.871 282 HG13 VAL 38 3HG1 VAL 38 4.693 12.809 -14.365 283 HG21 VAL 38 3HG2 VAL 38 1.343 11.648 -15.958 284 HG22 VAL 38 1HG2 VAL 38 1.760 13.338 -15.680 285 HG23 VAL 38 2HG2 VAL 38 0.657 12.511 -14.580 286 HA PRO 39 HA PRO 39 5.518 11.423 -18.579 287 HB2 PRO 39 2HB PRO 39 5.557 9.105 -20.004 288 HB3 PRO 39 1HB PRO 39 6.704 9.449 -18.696 289 HG2 PRO 39 2HG PRO 39 4.244 7.771 -18.662 290 HG3 PRO 39 1HG PRO 39 5.822 7.478 -17.911 291 HD2 PRO 39 2HD PRO 39 3.655 8.411 -16.524 292 HD3 PRO 39 1HD PRO 39 5.331 8.768 -16.061 293 H VAL 40 H VAL 40 4.872 11.926 -20.718 294 HA VAL 40 HA VAL 40 2.009 12.009 -21.104 295 HB VAL 40 HB VAL 40 4.303 12.981 -22.824 296 HG11 VAL 40 1HG1 VAL 40 1.327 12.991 -23.169 297 HG12 VAL 40 2HG1 VAL 40 2.595 12.798 -24.381 298 HG13 VAL 40 3HG1 VAL 40 2.244 14.395 -23.720 299 HG21 VAL 40 3HG2 VAL 40 3.572 13.980 -20.441 300 HG22 VAL 40 1HG2 VAL 40 2.354 14.771 -21.439 301 HG23 VAL 40 2HG2 VAL 40 4.068 15.023 -21.774 302 H THR 41 H THR 41 0.821 10.640 -22.269 303 HA THR 41 HA THR 41 2.223 8.647 -23.943 304 HB THR 41 HB THR 41 -0.487 8.499 -22.604 305 HG1 THR 41 1HG THR 41 0.740 7.934 -21.006 306 HG21 THR 41 3HG2 THR 41 0.130 5.964 -23.320 307 HG22 THR 41 1HG2 THR 41 0.899 6.844 -24.639 308 HG23 THR 41 2HG2 THR 41 -0.826 7.044 -24.335 309 H THR 42 H THR 42 1.904 8.689 -26.069 310 HA THR 42 HA THR 42 0.157 10.658 -27.242 311 HB THR 42 HB THR 42 2.132 10.381 -28.458 312 HG1 THR 42 1HG THR 42 1.443 9.141 -30.362 313 HG21 THR 42 3HG2 THR 42 2.797 7.967 -29.178 314 HG22 THR 42 1HG2 THR 42 1.730 7.456 -27.872 315 HG23 THR 42 2HG2 THR 42 3.128 8.474 -27.521 Start of MODEL 11 1 HA ASP 1 HA ASP 1 -11.824 1.767 5.653 2 HB2 ASP 1 1HB ASP 1 -12.124 4.057 4.814 3 HB3 ASP 1 2HB ASP 1 -12.289 4.015 6.569 4 H CYS 2 H CYS 2 -8.478 2.522 5.869 5 HA CYS 2 HA CYS 2 -8.060 1.536 3.156 6 HB2 CYS 2 2HB CYS 2 -6.702 3.421 2.461 7 HB3 CYS 2 1HB CYS 2 -8.303 4.008 2.907 8 H ALA 3 H ALA 3 -5.718 1.149 2.724 9 HA ALA 3 HA ALA 3 -4.432 0.195 5.175 10 HB1 ALA 3 3HB ALA 3 -3.497 -1.403 3.866 11 HB2 ALA 3 1HB ALA 3 -3.076 -0.250 2.599 12 HB3 ALA 3 2HB ALA 3 -4.709 -0.912 2.682 13 H LYS 4 H LYS 4 -2.983 1.433 6.184 14 HA LYS 4 HA LYS 4 -1.838 3.769 4.922 15 HB2 LYS 4 1HB LYS 4 -1.348 2.544 7.649 16 HB3 LYS 4 2HB LYS 4 -0.734 4.106 7.108 17 HG2 LYS 4 1HG LYS 4 -3.042 4.899 6.758 18 HG3 LYS 4 2HG LYS 4 -3.660 3.339 7.304 19 HD2 LYS 4 1HD LYS 4 -2.596 3.671 9.498 20 HD3 LYS 4 2HD LYS 4 -1.956 5.223 8.960 21 HE2 LYS 4 1HE LYS 4 -4.002 5.580 10.257 22 HE3 LYS 4 2HE LYS 4 -4.280 6.017 8.571 23 HZ1 LYS 4 3HZ LYS 4 -5.787 4.294 10.023 24 HZ2 LYS 4 1HZ LYS 4 -4.800 3.250 9.121 25 HZ3 LYS 4 2HZ LYS 4 -5.766 4.398 8.327 26 H GLU 5 H GLU 5 0.684 4.010 5.714 27 HA GLU 5 HA GLU 5 2.131 2.436 3.906 28 HB2 GLU 5 1HB GLU 5 2.894 4.639 4.707 29 HB3 GLU 5 2HB GLU 5 3.194 3.949 6.303 30 HG2 GLU 5 1HG GLU 5 4.434 2.708 3.853 31 HG3 GLU 5 2HG GLU 5 5.174 4.112 4.605 32 H GLY 6 H GLY 6 3.203 0.581 4.040 33 HA2 GLY 6 1HA GLY 6 4.162 -1.323 4.921 34 HA3 GLY 6 2HA GLY 6 3.942 -0.665 6.529 35 H GLU 7 H GLU 7 1.020 -0.444 4.939 36 HA GLU 7 HA GLU 7 0.022 -2.773 6.415 37 HB2 GLU 7 1HB GLU 7 -1.545 -0.642 4.938 38 HB3 GLU 7 2HB GLU 7 -2.193 -1.855 6.043 39 HG2 GLU 7 1HG GLU 7 -0.175 0.273 6.801 40 HG3 GLU 7 2HG GLU 7 -1.898 0.336 7.159 41 H VAL 8 H VAL 8 -1.360 -4.330 5.449 42 HA VAL 8 HA VAL 8 -0.444 -5.303 2.975 43 HB VAL 8 HB VAL 8 -2.907 -5.971 4.588 44 HG11 VAL 8 1HG1 VAL 8 -2.506 -8.146 3.039 45 HG12 VAL 8 2HG1 VAL 8 -1.961 -6.894 1.922 46 HG13 VAL 8 3HG1 VAL 8 -3.597 -6.840 2.579 47 HG21 VAL 8 3HG2 VAL 8 -1.616 -7.871 5.315 48 HG22 VAL 8 1HG2 VAL 8 -0.588 -6.451 5.513 49 HG23 VAL 8 2HG2 VAL 8 -0.349 -7.531 4.138 50 H CYS 9 H CYS 9 -1.123 -5.046 0.909 51 HA CYS 9 HA CYS 9 -3.673 -3.627 0.447 52 HB2 CYS 9 2HB CYS 9 -2.644 -2.095 -1.132 53 HB3 CYS 9 1HB CYS 9 -1.843 -1.937 0.431 54 H SER 10 H SER 10 -4.259 -3.703 -1.906 55 HA SER 10 HA SER 10 -4.563 -4.806 -3.908 56 HB2 SER 10 1HB SER 10 -2.302 -6.684 -3.343 57 HB3 SER 10 2HB SER 10 -2.864 -6.030 -4.876 58 HG SER 10 HG SER 10 -2.073 -3.987 -4.179 59 H TRP 11 H TRP 11 -4.000 -6.577 -0.962 60 HA TRP 11 HA TRP 11 -5.206 -9.028 -1.812 61 HB2 TRP 11 2HB TRP 11 -3.959 -7.974 0.561 62 HB3 TRP 11 1HB TRP 11 -5.448 -8.797 0.999 63 HD1 TRP 11 1HD TRP 11 -2.020 -9.591 0.795 64 HE1 TRP 11 1HE TRP 11 -1.595 -12.064 0.192 65 HE3 TRP 11 3HE TRP 11 -6.613 -10.841 -1.017 66 HZ2 TRP 11 2HZ TRP 11 -3.025 -14.282 -0.919 67 HZ3 TRP 11 3HZ TRP 11 -7.062 -13.140 -1.844 68 HH2 TRP 11 2HH TRP 11 -5.275 -14.857 -1.799 69 H GLY 12 H GLY 12 -6.783 -6.810 -2.575 70 HA2 GLY 12 1HA GLY 12 -9.156 -6.756 -2.765 71 HA3 GLY 12 2HA GLY 12 -9.278 -7.494 -1.170 72 H LYS 13 H LYS 13 -6.953 -5.288 -0.746 73 HA LYS 13 HA LYS 13 -8.858 -3.153 0.019 74 HB2 LYS 13 1HB LYS 13 -6.559 -4.388 1.436 75 HB3 LYS 13 2HB LYS 13 -6.739 -2.641 1.598 76 HG2 LYS 13 1HG LYS 13 -7.968 -3.876 3.375 77 HG3 LYS 13 2HG LYS 13 -9.050 -2.921 2.360 78 HD2 LYS 13 1HD LYS 13 -9.950 -4.785 1.320 79 HD3 LYS 13 2HD LYS 13 -8.501 -5.757 1.576 80 HE2 LYS 13 1HE LYS 13 -10.346 -6.522 3.029 81 HE3 LYS 13 2HE LYS 13 -9.006 -5.891 3.987 82 HZ1 LYS 13 3HZ LYS 13 -11.689 -4.929 3.761 83 HZ2 LYS 13 1HZ LYS 13 -10.551 -3.705 3.477 84 HZ3 LYS 13 2HZ LYS 13 -10.508 -4.580 4.932 85 H LYS 14 H LYS 14 -8.125 -0.973 -0.161 86 HA LYS 14 HA LYS 14 -6.046 -0.610 -2.236 87 HB2 LYS 14 1HB LYS 14 -8.475 1.064 -1.542 88 HB3 LYS 14 2HB LYS 14 -7.239 1.541 -2.706 89 HG2 LYS 14 1HG LYS 14 -7.695 -0.500 -4.026 90 HG3 LYS 14 2HG LYS 14 -8.942 -0.963 -2.868 91 HD2 LYS 14 1HD LYS 14 -10.194 1.098 -3.373 92 HD3 LYS 14 2HD LYS 14 -8.945 1.582 -4.519 93 HE2 LYS 14 1HE LYS 14 -9.393 -0.442 -5.863 94 HE3 LYS 14 2HE LYS 14 -10.644 -0.925 -4.719 95 HZ1 LYS 14 3HZ LYS 14 -11.596 0.207 -6.620 96 HZ2 LYS 14 1HZ LYS 14 -10.630 1.571 -6.328 97 HZ3 LYS 14 2HZ LYS 14 -11.830 1.126 -5.210 98 H CYS 15 H CYS 15 -4.419 0.778 -1.925 99 HA CYS 15 HA CYS 15 -3.744 1.493 0.763 100 HB2 CYS 15 2HB CYS 15 -2.223 0.891 -1.274 101 HB3 CYS 15 1HB CYS 15 -2.385 2.598 -1.665 102 H CYS 16 H CYS 16 -4.178 3.341 1.812 103 HA CYS 16 HA CYS 16 -6.027 5.192 1.119 104 HB2 CYS 16 2HB CYS 16 -4.097 4.945 3.146 105 HB3 CYS 16 1HB CYS 16 -3.891 6.564 2.479 106 H ASP 17 H ASP 17 -2.705 5.105 0.032 107 HA ASP 17 HA ASP 17 -3.335 7.284 -1.850 108 HB2 ASP 17 1HB ASP 17 -1.144 7.185 0.164 109 HB3 ASP 17 2HB ASP 17 -0.764 7.845 -1.425 110 H LEU 18 H LEU 18 -3.458 5.928 -3.612 111 HA LEU 18 HA LEU 18 -1.370 3.975 -4.112 112 HB2 LEU 18 1HB LEU 18 -3.845 4.821 -5.624 113 HB3 LEU 18 2HB LEU 18 -2.699 3.647 -6.269 114 HG LEU 18 HG LEU 18 -3.891 3.314 -3.507 115 HD11 LEU 18 1HD1 LEU 18 -5.003 2.286 -6.135 116 HD12 LEU 18 2HD1 LEU 18 -5.751 3.519 -5.120 117 HD13 LEU 18 3HD1 LEU 18 -5.601 1.863 -4.530 118 HD21 LEU 18 3HD2 LEU 18 -1.935 1.910 -4.947 119 HD22 LEU 18 1HD2 LEU 18 -3.396 0.950 -5.153 120 HD23 LEU 18 2HD2 LEU 18 -2.809 1.319 -3.536 121 H ASP 19 H ASP 19 -1.738 7.266 -4.603 122 HA ASP 19 HA ASP 19 -0.175 7.338 -7.076 123 HB2 ASP 19 1HB ASP 19 -0.549 9.756 -6.982 124 HB3 ASP 19 2HB ASP 19 -2.073 8.882 -6.829 125 H ASN 20 H ASN 20 0.563 6.833 -3.959 126 HA ASN 20 HA ASN 20 3.203 8.101 -4.267 127 HB2 ASN 20 1HB ASN 20 1.503 8.246 -1.775 128 HB3 ASN 20 2HB ASN 20 3.165 8.785 -1.893 129 HD21 ASN 20 1HD2 ASN 20 0.239 11.258 -2.937 130 HD22 ASN 20 2HD2 ASN 20 0.009 9.845 -2.033 131 H PHE 21 H PHE 21 1.206 5.538 -3.132 132 HA PHE 21 HA PHE 21 3.602 4.101 -2.180 133 HB2 PHE 21 2HB PHE 21 0.727 3.840 -1.289 134 HB3 PHE 21 1HB PHE 21 2.034 2.776 -0.775 135 HD1 PHE 21 1HD PHE 21 0.921 6.333 -0.803 136 HD2 PHE 21 2HD PHE 21 3.526 3.414 0.957 137 HE1 PHE 21 1HE PHE 21 1.524 7.949 0.970 138 HE2 PHE 21 2HE PHE 21 4.137 5.032 2.729 139 HZ PHE 21 HZ PHE 21 3.136 7.298 2.739 140 H TYR 22 H TYR 22 3.712 1.847 -2.657 141 HA TYR 22 HA TYR 22 1.965 0.978 -4.881 142 HB2 TYR 22 2HB TYR 22 3.836 0.106 -6.063 143 HB3 TYR 22 1HB TYR 22 4.290 1.737 -5.587 144 HD1 TYR 22 1HD TYR 22 4.808 -1.873 -4.873 145 HD2 TYR 22 2HD TYR 22 5.935 2.161 -3.955 146 HE1 TYR 22 1HE TYR 22 6.857 -2.664 -3.832 147 HE2 TYR 22 2HE TYR 22 7.967 1.357 -2.884 148 HH TYR 22 HH TYR 22 8.482 -1.981 -2.199 149 H CYS 23 H CYS 23 1.917 -1.362 -5.162 150 HA CYS 23 HA CYS 23 2.113 -2.725 -2.577 151 HB2 CYS 23 2HB CYS 23 0.477 -3.308 -5.037 152 HB3 CYS 23 1HB CYS 23 0.591 -4.395 -3.656 153 HA PRO 24 HA PRO 24 5.841 -4.630 -4.476 154 HB2 PRO 24 2HB PRO 24 5.479 -6.314 -2.030 155 HB3 PRO 24 1HB PRO 24 6.942 -5.542 -2.657 156 HG2 PRO 24 2HG PRO 24 5.682 -4.533 -0.582 157 HG3 PRO 24 1HG PRO 24 6.395 -3.491 -1.805 158 HD2 PRO 24 2HD PRO 24 3.520 -4.141 -1.336 159 HD3 PRO 24 1HD PRO 24 4.260 -2.643 -1.927 160 H MET 25 H MET 25 6.214 -6.514 -5.582 161 HA MET 25 HA MET 25 3.907 -8.153 -6.176 162 HB2 MET 25 1HB MET 25 5.569 -9.326 -7.714 163 HB3 MET 25 2HB MET 25 5.256 -7.625 -8.050 164 HG2 MET 25 1HG MET 25 7.309 -6.976 -6.895 165 HG3 MET 25 2HG MET 25 7.599 -8.647 -6.417 166 HE1 MET 25 3HE MET 25 7.984 -6.584 -10.414 167 HE2 MET 25 1HE MET 25 6.917 -6.209 -9.056 168 HE3 MET 25 2HE MET 25 6.424 -7.387 -10.268 169 H GLU 26 H GLU 26 3.950 -8.807 -3.763 170 HA GLU 26 HA GLU 26 5.369 -11.373 -3.583 171 HB2 GLU 26 1HB GLU 26 5.143 -9.266 -1.427 172 HB3 GLU 26 2HB GLU 26 5.667 -10.925 -1.135 173 HG2 GLU 26 1HG GLU 26 7.524 -10.638 -2.716 174 HG3 GLU 26 2HG GLU 26 6.987 -8.996 -3.065 175 H PHE 27 H PHE 27 4.425 -12.546 -1.537 176 HA PHE 27 HA PHE 27 1.771 -13.236 -2.126 177 HB2 PHE 27 2HB PHE 27 3.358 -14.727 -0.941 178 HB3 PHE 27 1HB PHE 27 3.264 -13.678 0.475 179 HD1 PHE 27 1HD PHE 27 1.090 -15.606 -1.882 180 HD2 PHE 27 2HD PHE 27 1.599 -14.062 2.094 181 HE1 PHE 27 1HE PHE 27 -0.967 -16.786 -1.164 182 HE2 PHE 27 2HE PHE 27 -0.462 -15.245 2.814 183 HZ PHE 27 HZ PHE 27 -1.744 -16.605 1.185 184 H ILE 28 H ILE 28 3.123 -11.133 0.384 185 HA ILE 28 HA ILE 28 0.419 -10.021 0.823 186 HB ILE 28 HB ILE 28 1.297 -9.575 3.199 187 HG12 ILE 28 1HG1 ILE 28 3.104 -11.896 2.479 188 HG13 ILE 28 2HG1 ILE 28 3.673 -10.230 2.541 189 HG21 ILE 28 1HG2 ILE 28 -0.382 -11.120 3.284 190 HG22 ILE 28 2HG2 ILE 28 0.945 -12.241 3.597 191 HG23 ILE 28 3HG2 ILE 28 0.296 -12.073 1.965 192 HD11 ILE 28 3HD1 ILE 28 2.456 -11.813 4.819 193 HD12 ILE 28 1HD1 ILE 28 2.833 -10.094 4.902 194 HD13 ILE 28 2HD1 ILE 28 4.127 -11.271 4.685 195 HA PRO 29 HA PRO 29 3.343 -6.720 -0.732 196 HB2 PRO 29 2HB PRO 29 0.662 -5.649 -1.486 197 HB3 PRO 29 1HB PRO 29 2.153 -5.723 -2.443 198 HG2 PRO 29 2HG PRO 29 0.139 -7.372 -2.923 199 HG3 PRO 29 1HG PRO 29 1.812 -7.944 -3.017 200 HD2 PRO 29 2HD PRO 29 -0.216 -8.408 -0.864 201 HD3 PRO 29 1HD PRO 29 1.038 -9.503 -1.492 202 H HIS 30 H HIS 30 3.830 -4.823 0.332 203 HA HIS 30 HA HIS 30 1.816 -3.834 2.275 204 HB2 HIS 30 1HB HIS 30 4.818 -3.889 2.644 205 HB3 HIS 30 2HB HIS 30 3.649 -3.190 3.753 206 HD1 HIS 30 HD1 HIS 30 5.125 -6.439 2.748 207 HD2 HIS 30 HD2 HIS 30 1.877 -5.093 4.986 208 HE1 HIS 30 HE1 HIS 30 4.303 -8.431 4.083 209 H CYS 31 H CYS 31 1.341 -1.728 2.214 210 HA CYS 31 HA CYS 31 1.940 -0.117 0.031 211 HB2 CYS 31 2HB CYS 31 1.034 0.505 2.823 212 HB3 CYS 31 1HB CYS 31 1.330 1.799 1.673 213 H LYS 32 H LYS 32 3.815 0.704 -0.618 214 HA LYS 32 HA LYS 32 5.711 1.699 1.429 215 HB2 LYS 32 1HB LYS 32 6.529 -0.443 0.579 216 HB3 LYS 32 2HB LYS 32 6.367 0.134 -1.062 217 HG2 LYS 32 1HG LYS 32 8.708 0.292 -0.332 218 HG3 LYS 32 2HG LYS 32 8.055 1.901 -0.612 219 HD2 LYS 32 1HD LYS 32 7.908 2.386 1.677 220 HD3 LYS 32 2HD LYS 32 7.915 0.683 2.136 221 HE2 LYS 32 1HE LYS 32 10.079 1.709 2.674 222 HE3 LYS 32 2HE LYS 32 10.283 0.516 1.393 223 HZ1 LYS 32 3HZ LYS 32 9.665 2.952 0.192 224 HZ2 LYS 32 1HZ LYS 32 11.130 2.101 0.126 225 HZ3 LYS 32 2HZ LYS 32 10.877 3.259 1.341 226 H LYS 33 H LYS 33 6.311 3.731 1.116 227 HA LYS 33 HA LYS 33 5.289 5.273 -1.033 228 HB2 LYS 33 1HB LYS 33 5.811 6.082 1.299 229 HB3 LYS 33 2HB LYS 33 7.511 6.068 0.845 230 HG2 LYS 33 1HG LYS 33 7.052 7.600 -1.014 231 HG3 LYS 33 2HG LYS 33 5.338 7.608 -0.607 232 HD2 LYS 33 1HD LYS 33 7.469 8.445 1.374 233 HD3 LYS 33 2HD LYS 33 6.735 9.585 0.249 234 HE2 LYS 33 1HE LYS 33 4.471 8.870 1.158 235 HE3 LYS 33 2HE LYS 33 5.340 7.990 2.416 236 HZ1 LYS 33 3HZ LYS 33 6.558 10.278 2.666 237 HZ2 LYS 33 1HZ LYS 33 5.076 9.990 3.441 238 HZ3 LYS 33 2HZ LYS 33 5.117 10.879 1.995 239 H TYR 34 H TYR 34 6.181 5.929 -2.904 240 HA TYR 34 HA TYR 34 9.022 5.671 -3.415 241 HB2 TYR 34 2HB TYR 34 8.886 4.097 -5.135 242 HB3 TYR 34 1HB TYR 34 7.870 3.424 -3.875 243 HD1 TYR 34 1HD TYR 34 8.025 3.854 -7.267 244 HD2 TYR 34 2HD TYR 34 5.299 4.600 -4.018 245 HE1 TYR 34 1HE TYR 34 6.123 3.825 -8.843 246 HE2 TYR 34 2HE TYR 34 3.408 4.555 -5.600 247 HH TYR 34 HH TYR 34 3.570 3.324 -8.653 248 H LYS 35 H LYS 35 9.103 5.964 -6.081 249 HA LYS 35 HA LYS 35 7.793 8.550 -6.470 250 HB2 LYS 35 1HB LYS 35 9.506 8.640 -8.428 251 HB3 LYS 35 2HB LYS 35 10.055 8.901 -6.774 252 HG2 LYS 35 1HG LYS 35 10.034 6.096 -7.810 253 HG3 LYS 35 2HG LYS 35 11.296 7.180 -8.392 254 HD2 LYS 35 1HD LYS 35 11.913 7.690 -6.042 255 HD3 LYS 35 2HD LYS 35 10.701 6.540 -5.482 256 HE2 LYS 35 1HE LYS 35 11.836 4.735 -6.720 257 HE3 LYS 35 2HE LYS 35 13.062 5.885 -7.261 258 HZ1 LYS 35 3HZ LYS 35 12.458 5.132 -4.457 259 HZ2 LYS 35 1HZ LYS 35 13.556 6.341 -4.913 260 HZ3 LYS 35 2HZ LYS 35 13.853 4.721 -5.336 261 HA PRO 36 HA PRO 36 5.345 6.130 -9.465 262 HB2 PRO 36 2HB PRO 36 3.424 7.981 -9.974 263 HB3 PRO 36 1HB PRO 36 3.438 7.004 -8.492 264 HG2 PRO 36 2HG PRO 36 4.293 9.823 -8.911 265 HG3 PRO 36 1HG PRO 36 3.430 9.095 -7.550 266 HD2 PRO 36 2HD PRO 36 6.125 9.648 -7.521 267 HD3 PRO 36 1HD PRO 36 5.373 8.391 -6.517 268 H TYR 37 H TYR 37 5.053 6.161 -11.732 269 HA TYR 37 HA TYR 37 5.857 8.489 -13.270 270 HB2 TYR 37 2HB TYR 37 7.641 7.308 -14.459 271 HB3 TYR 37 1HB TYR 37 8.009 7.401 -12.737 272 HD1 TYR 37 1HD TYR 37 7.268 5.194 -15.549 273 HD2 TYR 37 2HD TYR 37 7.622 5.420 -11.274 274 HE1 TYR 37 1HE TYR 37 7.419 2.720 -15.429 275 HE2 TYR 37 2HE TYR 37 7.770 2.952 -11.153 276 HH TYR 37 HH TYR 37 7.253 1.012 -12.415 277 H VAL 38 H VAL 38 5.509 8.159 -15.601 278 HA VAL 38 HA VAL 38 3.358 6.200 -16.046 279 HB VAL 38 HB VAL 38 2.716 7.664 -17.950 280 HG11 VAL 38 1HG1 VAL 38 2.651 9.746 -16.016 281 HG12 VAL 38 2HG1 VAL 38 2.546 8.221 -15.136 282 HG13 VAL 38 3HG1 VAL 38 1.375 8.593 -16.403 283 HG21 VAL 38 3HG2 VAL 38 4.978 9.374 -16.867 284 HG22 VAL 38 1HG2 VAL 38 3.783 9.929 -18.039 285 HG23 VAL 38 2HG2 VAL 38 4.899 8.630 -18.463 286 HA PRO 39 HA PRO 39 5.976 3.970 -18.850 287 HB2 PRO 39 2HB PRO 39 4.117 2.943 -20.586 288 HB3 PRO 39 1HB PRO 39 4.397 2.303 -18.954 289 HG2 PRO 39 2HG PRO 39 2.267 4.148 -19.922 290 HG3 PRO 39 1HG PRO 39 2.156 2.792 -18.787 291 HD2 PRO 39 2HD PRO 39 2.243 5.373 -17.937 292 HD3 PRO 39 1HD PRO 39 2.950 4.042 -16.997 293 H VAL 40 H VAL 40 3.774 6.379 -20.025 294 HA VAL 40 HA VAL 40 5.643 7.043 -22.183 295 HB VAL 40 HB VAL 40 3.920 5.524 -23.160 296 HG11 VAL 40 1HG1 VAL 40 1.677 5.891 -22.935 297 HG12 VAL 40 2HG1 VAL 40 1.857 7.645 -22.977 298 HG13 VAL 40 3HG1 VAL 40 2.178 6.761 -21.485 299 HG21 VAL 40 3HG2 VAL 40 4.694 8.157 -24.036 300 HG22 VAL 40 1HG2 VAL 40 3.054 7.818 -24.590 301 HG23 VAL 40 2HG2 VAL 40 4.372 6.723 -25.011 302 H THR 41 H THR 41 5.748 9.205 -22.618 303 HA THR 41 HA THR 41 4.651 11.014 -20.700 304 HB THR 41 HB THR 41 5.715 12.758 -22.084 305 HG1 THR 41 1HG THR 41 6.346 12.344 -24.067 306 HG21 THR 41 3HG2 THR 41 7.051 10.351 -21.074 307 HG22 THR 41 1HG2 THR 41 7.447 12.050 -20.812 308 HG23 THR 41 2HG2 THR 41 8.003 11.229 -22.271 309 H THR 42 H THR 42 3.667 9.900 -23.851 310 HA THR 42 HA THR 42 1.156 11.366 -23.578 311 HB THR 42 HB THR 42 2.970 11.679 -25.983 312 HG1 THR 42 1HG THR 42 1.972 13.445 -24.006 313 HG21 THR 42 3HG2 THR 42 0.932 13.343 -26.475 314 HG22 THR 42 1HG2 THR 42 0.055 12.129 -25.543 315 HG23 THR 42 2HG2 THR 42 0.912 11.664 -27.012 Start of MODEL 12 1 HA ASP 1 HA ASP 1 -12.019 1.324 5.061 2 HB2 ASP 1 1HB ASP 1 -10.269 1.162 6.762 3 HB3 ASP 1 2HB ASP 1 -11.525 -0.032 7.085 4 H CYS 2 H CYS 2 -8.911 1.053 5.538 5 HA CYS 2 HA CYS 2 -7.968 0.923 2.782 6 HB2 CYS 2 2HB CYS 2 -8.672 3.230 2.896 7 HB3 CYS 2 1HB CYS 2 -7.808 3.454 4.415 8 H ALA 3 H ALA 3 -5.687 0.889 2.589 9 HA ALA 3 HA ALA 3 -4.355 0.063 5.095 10 HB1 ALA 3 3HB ALA 3 -2.809 -0.589 2.786 11 HB2 ALA 3 1HB ALA 3 -4.474 -1.096 2.498 12 HB3 ALA 3 2HB ALA 3 -3.606 -1.684 3.917 13 H LYS 4 H LYS 4 -3.102 1.568 5.961 14 HA LYS 4 HA LYS 4 -2.096 3.819 4.450 15 HB2 LYS 4 1HB LYS 4 -2.779 3.525 7.039 16 HB3 LYS 4 2HB LYS 4 -1.049 3.212 7.173 17 HG2 LYS 4 1HG LYS 4 -1.074 5.517 7.406 18 HG3 LYS 4 2HG LYS 4 -0.869 5.382 5.659 19 HD2 LYS 4 1HD LYS 4 -3.385 5.502 5.445 20 HD3 LYS 4 2HD LYS 4 -3.448 5.878 7.168 21 HE2 LYS 4 1HE LYS 4 -1.897 7.466 5.102 22 HE3 LYS 4 2HE LYS 4 -3.462 7.933 5.769 23 HZ1 LYS 4 3HZ LYS 4 -0.861 8.201 6.903 24 HZ2 LYS 4 1HZ LYS 4 -1.907 7.374 7.950 25 HZ3 LYS 4 2HZ LYS 4 -2.324 8.919 7.381 26 H GLU 5 H GLU 5 0.435 4.155 5.659 27 HA GLU 5 HA GLU 5 2.095 2.701 3.899 28 HB2 GLU 5 1HB GLU 5 2.746 4.880 4.754 29 HB3 GLU 5 2HB GLU 5 2.797 4.247 6.400 30 HG2 GLU 5 1HG GLU 5 4.638 2.795 5.872 31 HG3 GLU 5 2HG GLU 5 4.494 3.132 4.150 32 H GLY 6 H GLY 6 3.121 0.827 4.054 33 HA2 GLY 6 1HA GLY 6 4.010 -1.108 4.925 34 HA3 GLY 6 2HA GLY 6 3.855 -0.412 6.526 35 H GLU 7 H GLU 7 0.987 -0.388 4.651 36 HA GLU 7 HA GLU 7 -0.091 -2.561 6.332 37 HB2 GLU 7 1HB GLU 7 -1.564 -0.435 4.764 38 HB3 GLU 7 2HB GLU 7 -2.289 -1.615 5.853 39 HG2 GLU 7 1HG GLU 7 -0.212 0.428 6.681 40 HG3 GLU 7 2HG GLU 7 -1.945 0.606 6.942 41 H VAL 8 H VAL 8 -1.397 -4.181 5.415 42 HA VAL 8 HA VAL 8 -0.439 -5.278 3.035 43 HB VAL 8 HB VAL 8 -3.004 -5.803 4.537 44 HG11 VAL 8 1HG1 VAL 8 -1.823 -7.027 2.065 45 HG12 VAL 8 2HG1 VAL 8 -3.512 -6.685 2.443 46 HG13 VAL 8 3HG1 VAL 8 -2.699 -8.055 3.200 47 HG21 VAL 8 3HG2 VAL 8 -1.824 -7.550 5.588 48 HG22 VAL 8 1HG2 VAL 8 -0.636 -6.247 5.528 49 HG23 VAL 8 2HG2 VAL 8 -0.562 -7.561 4.355 50 H CYS 9 H CYS 9 -1.015 -5.160 0.934 51 HA CYS 9 HA CYS 9 -3.462 -3.643 0.251 52 HB2 CYS 9 2HB CYS 9 -2.210 -2.467 -1.519 53 HB3 CYS 9 1HB CYS 9 -1.574 -2.094 0.086 54 H SER 10 H SER 10 -4.009 -3.908 -2.097 55 HA SER 10 HA SER 10 -4.604 -5.235 -3.860 56 HB2 SER 10 1HB SER 10 -1.892 -6.437 -3.316 57 HB3 SER 10 2HB SER 10 -2.928 -6.955 -4.637 58 HG SER 10 HG SER 10 -3.002 -4.512 -5.015 59 H TRP 11 H TRP 11 -3.760 -6.712 -0.839 60 HA TRP 11 HA TRP 11 -4.894 -9.282 -1.436 61 HB2 TRP 11 2HB TRP 11 -3.315 -8.164 0.614 62 HB3 TRP 11 1HB TRP 11 -4.794 -8.701 1.391 63 HD1 TRP 11 1HD TRP 11 -1.570 -10.005 0.823 64 HE1 TRP 11 1HE TRP 11 -1.563 -12.570 0.532 65 HE3 TRP 11 3HE TRP 11 -6.512 -10.786 -0.122 66 HZ2 TRP 11 2HZ TRP 11 -3.423 -14.677 -0.034 67 HZ3 TRP 11 3HZ TRP 11 -7.379 -13.073 -0.537 68 HH2 TRP 11 2HH TRP 11 -5.839 -15.019 -0.494 69 H GLY 12 H GLY 12 -6.618 -7.171 -2.140 70 HA2 GLY 12 1HA GLY 12 -8.985 -7.113 -2.096 71 HA3 GLY 12 2HA GLY 12 -8.956 -7.866 -0.505 72 H LYS 13 H LYS 13 -6.672 -5.421 -0.654 73 HA LYS 13 HA LYS 13 -8.562 -3.404 0.404 74 HB2 LYS 13 1HB LYS 13 -5.838 -4.126 1.509 75 HB3 LYS 13 2HB LYS 13 -6.810 -2.753 2.039 76 HG2 LYS 13 1HG LYS 13 -8.633 -4.298 2.684 77 HG3 LYS 13 2HG LYS 13 -7.642 -5.667 2.181 78 HD2 LYS 13 1HD LYS 13 -5.933 -5.054 3.849 79 HD3 LYS 13 2HD LYS 13 -6.912 -3.675 4.351 80 HE2 LYS 13 1HE LYS 13 -7.280 -5.538 5.892 81 HE3 LYS 13 2HE LYS 13 -8.749 -5.245 4.962 82 HZ1 LYS 13 3HZ LYS 13 -6.726 -7.214 4.087 83 HZ2 LYS 13 1HZ LYS 13 -8.351 -7.089 3.616 84 HZ3 LYS 13 2HZ LYS 13 -7.960 -7.633 5.178 85 H LYS 14 H LYS 14 -8.028 -1.237 0.001 86 HA LYS 14 HA LYS 14 -6.012 -0.852 -2.128 87 HB2 LYS 14 1HB LYS 14 -8.491 0.754 -1.455 88 HB3 LYS 14 2HB LYS 14 -7.331 1.162 -2.719 89 HG2 LYS 14 1HG LYS 14 -7.780 -0.982 -3.842 90 HG3 LYS 14 2HG LYS 14 -8.931 -1.412 -2.577 91 HD2 LYS 14 1HD LYS 14 -10.305 0.559 -3.162 92 HD3 LYS 14 2HD LYS 14 -9.157 0.976 -4.436 93 HE2 LYS 14 1HE LYS 14 -9.607 -1.180 -5.551 94 HE3 LYS 14 2HE LYS 14 -10.754 -1.599 -4.277 95 HZ1 LYS 14 3HZ LYS 14 -11.352 0.961 -5.296 96 HZ2 LYS 14 1HZ LYS 14 -12.316 -0.435 -5.300 97 HZ3 LYS 14 2HZ LYS 14 -11.245 -0.141 -6.585 98 H CYS 15 H CYS 15 -4.413 0.533 -1.855 99 HA CYS 15 HA CYS 15 -3.788 1.447 0.766 100 HB2 CYS 15 2HB CYS 15 -2.255 0.773 -1.255 101 HB3 CYS 15 1HB CYS 15 -2.428 2.467 -1.688 102 H CYS 16 H CYS 16 -3.869 3.495 1.624 103 HA CYS 16 HA CYS 16 -5.901 5.223 0.811 104 HB2 CYS 16 2HB CYS 16 -3.497 5.629 2.584 105 HB3 CYS 16 1HB CYS 16 -4.759 6.838 2.400 106 H ASP 17 H ASP 17 -2.417 5.404 0.220 107 HA ASP 17 HA ASP 17 -2.943 7.531 -1.777 108 HB2 ASP 17 1HB ASP 17 -0.663 7.231 0.172 109 HB3 ASP 17 2HB ASP 17 -0.541 8.245 -1.264 110 H LEU 18 H LEU 18 -3.196 5.764 -3.301 111 HA LEU 18 HA LEU 18 -1.079 3.937 -3.856 112 HB2 LEU 18 1HB LEU 18 -3.427 4.868 -5.531 113 HB3 LEU 18 2HB LEU 18 -2.362 3.533 -5.967 114 HG LEU 18 HG LEU 18 -3.739 3.552 -3.284 115 HD11 LEU 18 1HD1 LEU 18 -4.889 2.873 -5.987 116 HD12 LEU 18 2HD1 LEU 18 -5.629 3.786 -4.670 117 HD13 LEU 18 3HD1 LEU 18 -5.449 2.037 -4.538 118 HD21 LEU 18 3HD2 LEU 18 -3.480 1.148 -3.458 119 HD22 LEU 18 1HD2 LEU 18 -1.926 1.859 -3.869 120 HD23 LEU 18 2HD2 LEU 18 -2.986 1.272 -5.145 121 H ASP 19 H ASP 19 -1.523 7.241 -4.520 122 HA ASP 19 HA ASP 19 -0.062 7.377 -6.990 123 HB2 ASP 19 1HB ASP 19 -0.851 9.458 -4.943 124 HB3 ASP 19 2HB ASP 19 0.008 9.843 -6.433 125 H ASN 20 H ASN 20 0.739 7.748 -3.564 126 HA ASN 20 HA ASN 20 3.570 8.196 -4.283 127 HB2 ASN 20 1HB ASN 20 2.135 8.543 -1.645 128 HB3 ASN 20 2HB ASN 20 3.829 8.885 -1.925 129 HD21 ASN 20 1HD2 ASN 20 1.217 11.750 -2.613 130 HD22 ASN 20 2HD2 ASN 20 0.979 10.429 -1.581 131 H PHE 21 H PHE 21 1.405 5.878 -2.911 132 HA PHE 21 HA PHE 21 3.718 4.225 -2.104 133 HB2 PHE 21 2HB PHE 21 0.857 4.144 -1.128 134 HB3 PHE 21 1HB PHE 21 2.114 3.004 -0.660 135 HD1 PHE 21 1HD PHE 21 1.385 6.664 -0.764 136 HD2 PHE 21 2HD PHE 21 3.516 3.486 1.166 137 HE1 PHE 21 1HE PHE 21 2.116 8.238 1.002 138 HE2 PHE 21 2HE PHE 21 4.258 5.066 2.934 139 HZ PHE 21 HZ PHE 21 3.558 7.437 2.851 140 H TYR 22 H TYR 22 3.851 2.145 -2.834 141 HA TYR 22 HA TYR 22 1.925 1.404 -4.954 142 HB2 TYR 22 2HB TYR 22 3.702 0.383 -6.150 143 HB3 TYR 22 1HB TYR 22 4.309 1.949 -5.643 144 HD1 TYR 22 1HD TYR 22 4.496 -1.698 -5.049 145 HD2 TYR 22 2HD TYR 22 6.004 2.162 -3.983 146 HE1 TYR 22 1HE TYR 22 6.459 -2.738 -4.048 147 HE2 TYR 22 2HE TYR 22 7.959 1.130 -2.956 148 HH TYR 22 HH TYR 22 8.347 -2.428 -2.890 149 H CYS 23 H CYS 23 1.673 -0.922 -5.276 150 HA CYS 23 HA CYS 23 1.712 -2.315 -2.699 151 HB2 CYS 23 2HB CYS 23 -0.489 -1.912 -3.875 152 HB3 CYS 23 1HB CYS 23 0.074 -3.030 -5.118 153 HA PRO 24 HA PRO 24 5.143 -4.576 -4.731 154 HB2 PRO 24 2HB PRO 24 4.757 -6.257 -2.303 155 HB3 PRO 24 1HB PRO 24 6.245 -5.580 -2.975 156 HG2 PRO 24 2HG PRO 24 5.106 -4.547 -0.825 157 HG3 PRO 24 1HG PRO 24 5.917 -3.538 -2.010 158 HD2 PRO 24 2HD PRO 24 3.013 -3.870 -1.483 159 HD3 PRO 24 1HD PRO 24 3.904 -2.471 -2.102 160 H MET 25 H MET 25 5.479 -6.794 -5.460 161 HA MET 25 HA MET 25 2.926 -8.219 -5.904 162 HB2 MET 25 1HB MET 25 5.489 -8.186 -7.511 163 HB3 MET 25 2HB MET 25 4.110 -9.227 -7.862 164 HG2 MET 25 1HG MET 25 2.669 -7.252 -8.129 165 HG3 MET 25 2HG MET 25 4.031 -6.199 -7.748 166 HE1 MET 25 3HE MET 25 3.891 -4.966 -10.780 167 HE2 MET 25 1HE MET 25 2.592 -5.465 -9.688 168 HE3 MET 25 2HE MET 25 2.651 -6.087 -11.335 169 H GLU 26 H GLU 26 3.647 -8.917 -3.535 170 HA GLU 26 HA GLU 26 5.102 -11.470 -3.816 171 HB2 GLU 26 1HB GLU 26 5.206 -9.496 -1.525 172 HB3 GLU 26 2HB GLU 26 5.865 -11.132 -1.456 173 HG2 GLU 26 1HG GLU 26 7.346 -10.634 -3.351 174 HG3 GLU 26 2HG GLU 26 6.676 -9.006 -3.460 175 H PHE 27 H PHE 27 4.643 -12.570 -1.425 176 HA PHE 27 HA PHE 27 2.010 -13.545 -1.608 177 HB2 PHE 27 2HB PHE 27 3.860 -14.800 -0.555 178 HB3 PHE 27 1HB PHE 27 3.874 -13.642 0.776 179 HD1 PHE 27 1HD PHE 27 1.547 -15.903 -1.089 180 HD2 PHE 27 2HD PHE 27 2.517 -14.035 2.654 181 HE1 PHE 27 1HE PHE 27 -0.275 -17.171 0.015 182 HE2 PHE 27 2HE PHE 27 0.693 -15.301 3.758 183 HZ PHE 27 HZ PHE 27 -0.703 -16.869 2.438 184 H ILE 28 H ILE 28 3.472 -11.214 0.649 185 HA ILE 28 HA ILE 28 0.764 -10.201 1.249 186 HB ILE 28 HB ILE 28 1.733 -9.706 3.579 187 HG12 ILE 28 1HG1 ILE 28 3.592 -11.964 2.773 188 HG13 ILE 28 2HG1 ILE 28 4.095 -10.278 2.840 189 HG21 ILE 28 1HG2 ILE 28 0.081 -11.299 3.699 190 HG22 ILE 28 2HG2 ILE 28 1.451 -12.343 4.078 191 HG23 ILE 28 3HG2 ILE 28 0.807 -12.296 2.438 192 HD11 ILE 28 3HD1 ILE 28 3.915 -12.163 4.989 193 HD12 ILE 28 1HD1 ILE 28 2.757 -10.870 5.292 194 HD13 ILE 28 2HD1 ILE 28 4.460 -10.486 5.050 195 HA PRO 29 HA PRO 29 3.574 -6.837 -0.396 196 HB2 PRO 29 2HB PRO 29 0.880 -5.948 -1.282 197 HB3 PRO 29 1HB PRO 29 2.404 -5.973 -2.179 198 HG2 PRO 29 2HG PRO 29 0.508 -7.732 -2.678 199 HG3 PRO 29 1HG PRO 29 2.210 -8.236 -2.661 200 HD2 PRO 29 2HD PRO 29 0.092 -8.650 -0.567 201 HD3 PRO 29 1HD PRO 29 1.377 -9.754 -1.100 202 H HIS 30 H HIS 30 3.865 -4.812 0.490 203 HA HIS 30 HA HIS 30 1.719 -3.802 2.246 204 HB2 HIS 30 1HB HIS 30 4.660 -3.883 2.947 205 HB3 HIS 30 2HB HIS 30 3.412 -3.054 3.872 206 HD1 HIS 30 HD1 HIS 30 4.705 -6.474 3.073 207 HD2 HIS 30 HD2 HIS 30 1.588 -4.757 5.248 208 HE1 HIS 30 HE1 HIS 30 3.728 -8.323 4.505 209 H CYS 31 H CYS 31 1.330 -1.672 2.152 210 HA CYS 31 HA CYS 31 2.033 -0.175 -0.073 211 HB2 CYS 31 2HB CYS 31 1.140 0.648 2.680 212 HB3 CYS 31 1HB CYS 31 1.387 1.824 1.400 213 H LYS 32 H LYS 32 3.826 0.869 -0.688 214 HA LYS 32 HA LYS 32 5.741 1.729 1.390 215 HB2 LYS 32 1HB LYS 32 6.544 -0.411 0.586 216 HB3 LYS 32 2HB LYS 32 6.391 0.114 -1.071 217 HG2 LYS 32 1HG LYS 32 8.736 0.251 -0.314 218 HG3 LYS 32 2HG LYS 32 8.113 1.848 -0.698 219 HD2 LYS 32 1HD LYS 32 7.935 2.469 1.563 220 HD3 LYS 32 2HD LYS 32 7.941 0.795 2.121 221 HE2 LYS 32 1HE LYS 32 10.297 2.194 0.822 222 HE3 LYS 32 2HE LYS 32 10.103 1.962 2.560 223 HZ1 LYS 32 3HZ LYS 32 10.672 -0.012 0.470 224 HZ2 LYS 32 1HZ LYS 32 9.769 -0.511 1.817 225 HZ3 LYS 32 2HZ LYS 32 11.325 0.132 2.031 226 H LYS 33 H LYS 33 6.448 3.747 1.090 227 HA LYS 33 HA LYS 33 5.517 5.310 -1.093 228 HB2 LYS 33 1HB LYS 33 5.890 6.271 1.135 229 HB3 LYS 33 2HB LYS 33 7.619 5.973 0.969 230 HG2 LYS 33 1HG LYS 33 7.752 7.479 -0.935 231 HG3 LYS 33 2HG LYS 33 6.000 7.684 -0.937 232 HD2 LYS 33 1HD LYS 33 7.398 8.283 1.618 233 HD3 LYS 33 2HD LYS 33 7.670 9.414 0.292 234 HE2 LYS 33 1HE LYS 33 5.238 9.683 0.009 235 HE3 LYS 33 2HE LYS 33 4.953 8.541 1.321 236 HZ1 LYS 33 3HZ LYS 33 6.760 10.669 2.009 237 HZ2 LYS 33 1HZ LYS 33 5.413 10.078 2.851 238 HZ3 LYS 33 2HZ LYS 33 5.202 11.216 1.608 239 H TYR 34 H TYR 34 6.443 5.841 -2.977 240 HA TYR 34 HA TYR 34 9.302 5.425 -3.390 241 HB2 TYR 34 2HB TYR 34 9.056 4.005 -5.246 242 HB3 TYR 34 1HB TYR 34 8.009 3.327 -4.018 243 HD1 TYR 34 1HD TYR 34 8.189 4.172 -7.387 244 HD2 TYR 34 2HD TYR 34 5.504 4.482 -4.031 245 HE1 TYR 34 1HE TYR 34 6.272 4.387 -8.932 246 HE2 TYR 34 2HE TYR 34 3.595 4.663 -5.590 247 HH TYR 34 HH TYR 34 3.771 3.904 -8.830 248 H LYS 35 H LYS 35 9.495 5.874 -6.021 249 HA LYS 35 HA LYS 35 8.624 8.647 -6.222 250 HB2 LYS 35 1HB LYS 35 10.607 7.030 -7.819 251 HB3 LYS 35 2HB LYS 35 10.258 8.734 -8.099 252 HG2 LYS 35 1HG LYS 35 12.247 8.548 -6.698 253 HG3 LYS 35 2HG LYS 35 10.925 9.222 -5.749 254 HD2 LYS 35 1HD LYS 35 10.714 7.337 -4.439 255 HD3 LYS 35 2HD LYS 35 11.258 6.240 -5.711 256 HE2 LYS 35 1HE LYS 35 13.564 7.064 -5.432 257 HE3 LYS 35 2HE LYS 35 13.020 8.194 -4.192 258 HZ1 LYS 35 3HZ LYS 35 12.129 6.147 -3.015 259 HZ2 LYS 35 1HZ LYS 35 13.812 6.353 -3.026 260 HZ3 LYS 35 2HZ LYS 35 13.088 5.240 -4.084 261 HA PRO 36 HA PRO 36 5.543 6.990 -9.151 262 HB2 PRO 36 2HB PRO 36 4.046 9.233 -9.446 263 HB3 PRO 36 1HB PRO 36 3.939 8.200 -8.007 264 HG2 PRO 36 2HG PRO 36 5.370 10.783 -8.381 265 HG3 PRO 36 1HG PRO 36 4.446 10.192 -6.990 266 HD2 PRO 36 2HD PRO 36 7.189 10.144 -7.135 267 HD3 PRO 36 1HD PRO 36 6.235 9.030 -6.125 268 H TYR 37 H TYR 37 5.040 7.280 -11.377 269 HA TYR 37 HA TYR 37 6.400 9.410 -12.835 270 HB2 TYR 37 2HB TYR 37 7.506 7.772 -14.337 271 HB3 TYR 37 1HB TYR 37 8.110 7.684 -12.685 272 HD1 TYR 37 1HD TYR 37 6.055 6.003 -15.251 273 HD2 TYR 37 2HD TYR 37 7.590 5.799 -11.245 274 HE1 TYR 37 1HE TYR 37 5.421 3.607 -15.129 275 HE2 TYR 37 2HE TYR 37 6.955 3.407 -11.120 276 HH TYR 37 HH TYR 37 6.487 1.507 -13.476 277 H VAL 38 H VAL 38 5.541 9.802 -14.869 278 HA VAL 38 HA VAL 38 2.963 8.493 -15.396 279 HB VAL 38 HB VAL 38 3.717 10.834 -17.025 280 HG11 VAL 38 1HG1 VAL 38 1.301 10.468 -15.261 281 HG12 VAL 38 2HG1 VAL 38 1.446 9.600 -16.789 282 HG13 VAL 38 3HG1 VAL 38 1.436 11.363 -16.773 283 HG21 VAL 38 3HG2 VAL 38 4.738 11.601 -14.995 284 HG22 VAL 38 1HG2 VAL 38 3.413 10.979 -14.016 285 HG23 VAL 38 2HG2 VAL 38 3.153 12.367 -15.073 286 HA PRO 39 HA PRO 39 5.230 8.070 -19.539 287 HB2 PRO 39 2HB PRO 39 7.859 8.632 -19.755 288 HB3 PRO 39 1HB PRO 39 6.616 9.895 -19.840 289 HG2 PRO 39 2HG PRO 39 8.433 9.174 -17.607 290 HG3 PRO 39 1HG PRO 39 7.833 10.760 -18.115 291 HD2 PRO 39 2HD PRO 39 6.825 9.240 -16.002 292 HD3 PRO 39 1HD PRO 39 5.997 10.608 -16.769 293 H VAL 40 H VAL 40 6.436 6.322 -20.518 294 HA VAL 40 HA VAL 40 6.676 4.036 -18.894 295 HB VAL 40 HB VAL 40 7.708 4.633 -21.675 296 HG11 VAL 40 1HG1 VAL 40 9.077 2.848 -21.112 297 HG12 VAL 40 2HG1 VAL 40 7.643 1.979 -21.658 298 HG13 VAL 40 3HG1 VAL 40 7.931 2.205 -19.934 299 HG21 VAL 40 3HG2 VAL 40 5.265 4.620 -21.439 300 HG22 VAL 40 1HG2 VAL 40 5.336 3.064 -20.612 301 HG23 VAL 40 2HG2 VAL 40 5.789 3.179 -22.312 302 H THR 41 H THR 41 9.135 6.204 -20.260 303 HA THR 41 HA THR 41 11.336 6.553 -19.710 304 HB THR 41 HB THR 41 10.819 5.156 -17.094 305 HG1 THR 41 1HG THR 41 9.075 6.542 -17.463 306 HG21 THR 41 3HG2 THR 41 12.372 6.853 -16.267 307 HG22 THR 41 1HG2 THR 41 12.421 7.611 -17.858 308 HG23 THR 41 2HG2 THR 41 13.093 5.997 -17.630 309 H THR 42 H THR 42 11.280 4.618 -21.399 310 HA THR 42 HA THR 42 11.880 2.009 -20.778 311 HB THR 42 HB THR 42 13.089 3.711 -22.970 312 HG1 THR 42 1HG THR 42 11.401 2.342 -24.090 313 HG21 THR 42 3HG2 THR 42 13.105 0.746 -22.426 314 HG22 THR 42 1HG2 THR 42 14.461 1.792 -22.841 315 HG23 THR 42 2HG2 THR 42 13.261 1.377 -24.065 Start of MODEL 13 1 HA ASP 1 HA ASP 1 -10.658 0.958 6.848 2 HB2 ASP 1 1HB ASP 1 -11.933 -1.198 6.845 3 HB3 ASP 1 2HB ASP 1 -11.517 -1.401 5.146 4 H CYS 2 H CYS 2 -8.592 1.091 6.023 5 HA CYS 2 HA CYS 2 -8.162 0.978 3.139 6 HB2 CYS 2 2HB CYS 2 -8.762 3.271 3.301 7 HB3 CYS 2 1HB CYS 2 -7.796 3.488 4.764 8 H ALA 3 H ALA 3 -5.953 0.900 2.538 9 HA ALA 3 HA ALA 3 -4.284 -0.240 4.631 10 HB1 ALA 3 3HB ALA 3 -3.647 -1.528 2.927 11 HB2 ALA 3 1HB ALA 3 -2.845 -0.133 2.220 12 HB3 ALA 3 2HB ALA 3 -4.509 -0.516 1.777 13 H LYS 4 H LYS 4 -2.985 0.998 5.795 14 HA LYS 4 HA LYS 4 -2.186 3.646 4.840 15 HB2 LYS 4 1HB LYS 4 -1.675 2.260 7.490 16 HB3 LYS 4 2HB LYS 4 -1.327 3.948 7.119 17 HG2 LYS 4 1HG LYS 4 -3.724 4.346 6.676 18 HG3 LYS 4 2HG LYS 4 -4.073 2.658 7.048 19 HD2 LYS 4 1HD LYS 4 -4.515 3.647 9.105 20 HD3 LYS 4 2HD LYS 4 -2.815 3.223 9.300 21 HE2 LYS 4 1HE LYS 4 -3.123 5.520 10.028 22 HE3 LYS 4 2HE LYS 4 -2.208 5.534 8.525 23 HZ1 LYS 4 3HZ LYS 4 -4.055 7.157 8.595 24 HZ2 LYS 4 1HZ LYS 4 -5.150 5.865 8.682 25 HZ3 LYS 4 2HZ LYS 4 -4.170 6.057 7.307 26 H GLU 5 H GLU 5 0.217 4.166 5.706 27 HA GLU 5 HA GLU 5 2.001 2.948 3.960 28 HB2 GLU 5 1HB GLU 5 2.547 5.071 4.903 29 HB3 GLU 5 2HB GLU 5 2.492 4.429 6.546 30 HG2 GLU 5 1HG GLU 5 4.466 3.131 6.212 31 HG3 GLU 5 2HG GLU 5 4.429 3.383 4.470 32 H GLY 6 H GLY 6 3.044 1.091 3.920 33 HA2 GLY 6 1HA GLY 6 4.044 -0.868 4.580 34 HA3 GLY 6 2HA GLY 6 4.055 -0.254 6.224 35 H GLU 7 H GLU 7 0.999 -0.203 4.701 36 HA GLU 7 HA GLU 7 0.152 -2.460 6.385 37 HB2 GLU 7 1HB GLU 7 -0.993 -0.196 6.560 38 HB3 GLU 7 2HB GLU 7 -1.636 -0.497 4.943 39 HG2 GLU 7 1HG GLU 7 -2.811 -2.455 5.677 40 HG3 GLU 7 2HG GLU 7 -2.003 -2.426 7.244 41 H VAL 8 H VAL 8 -0.864 -4.247 5.556 42 HA VAL 8 HA VAL 8 -0.130 -5.139 3.047 43 HB VAL 8 HB VAL 8 -2.442 -5.985 4.800 44 HG11 VAL 8 1HG1 VAL 8 -3.157 -7.023 2.897 45 HG12 VAL 8 2HG1 VAL 8 -1.861 -8.160 3.270 46 HG13 VAL 8 3HG1 VAL 8 -1.591 -6.865 2.102 47 HG21 VAL 8 3HG2 VAL 8 0.048 -6.205 5.515 48 HG22 VAL 8 1HG2 VAL 8 0.141 -7.455 4.274 49 HG23 VAL 8 2HG2 VAL 8 -0.973 -7.639 5.630 50 H CYS 9 H CYS 9 -0.947 -4.971 1.002 51 HA CYS 9 HA CYS 9 -3.622 -3.753 0.685 52 HB2 CYS 9 2HB CYS 9 -2.781 -2.240 -1.030 53 HB3 CYS 9 1HB CYS 9 -1.888 -1.973 0.467 54 H SER 10 H SER 10 -4.305 -3.878 -1.669 55 HA SER 10 HA SER 10 -4.574 -5.030 -3.665 56 HB2 SER 10 1HB SER 10 -2.523 -7.074 -2.947 57 HB3 SER 10 2HB SER 10 -2.934 -6.382 -4.508 58 HG SER 10 HG SER 10 -2.113 -4.407 -2.958 59 H TRP 11 H TRP 11 -4.283 -6.602 -0.585 60 HA TRP 11 HA TRP 11 -5.616 -9.027 -1.306 61 HB2 TRP 11 2HB TRP 11 -4.396 -7.904 1.027 62 HB3 TRP 11 1HB TRP 11 -5.994 -8.480 1.468 63 HD1 TRP 11 1HD TRP 11 -2.682 -9.720 1.492 64 HE1 TRP 11 1HE TRP 11 -2.571 -12.278 1.173 65 HE3 TRP 11 3HE TRP 11 -7.359 -10.570 -0.337 66 HZ2 TRP 11 2HZ TRP 11 -4.254 -14.407 0.256 67 HZ3 TRP 11 3HZ TRP 11 -8.086 -12.871 -0.928 68 HH2 TRP 11 2HH TRP 11 -6.539 -14.789 -0.633 69 H GLY 12 H GLY 12 -6.986 -6.783 -2.345 70 HA2 GLY 12 1HA GLY 12 -9.311 -6.512 -2.701 71 HA3 GLY 12 2HA GLY 12 -9.616 -7.222 -1.121 72 H LYS 13 H LYS 13 -7.158 -5.127 -0.632 73 HA LYS 13 HA LYS 13 -8.984 -2.906 0.078 74 HB2 LYS 13 1HB LYS 13 -6.446 -3.850 1.431 75 HB3 LYS 13 2HB LYS 13 -7.322 -2.387 1.871 76 HG2 LYS 13 1HG LYS 13 -9.339 -3.741 2.347 77 HG3 LYS 13 2HG LYS 13 -8.452 -5.203 1.919 78 HD2 LYS 13 1HD LYS 13 -6.825 -4.732 3.731 79 HD3 LYS 13 2HD LYS 13 -7.750 -3.298 4.175 80 HE2 LYS 13 1HE LYS 13 -8.851 -6.125 4.158 81 HE3 LYS 13 2HE LYS 13 -8.310 -5.265 5.599 82 HZ1 LYS 13 3HZ LYS 13 -10.433 -4.601 5.690 83 HZ2 LYS 13 1HZ LYS 13 -10.733 -4.944 4.057 84 HZ3 LYS 13 2HZ LYS 13 -9.979 -3.485 4.491 85 H LYS 14 H LYS 14 -8.269 -0.779 -0.249 86 HA LYS 14 HA LYS 14 -6.058 -0.531 -2.201 87 HB2 LYS 14 1HB LYS 14 -8.449 1.256 -1.685 88 HB3 LYS 14 2HB LYS 14 -7.171 1.589 -2.854 89 HG2 LYS 14 1HG LYS 14 -7.697 -0.511 -4.037 90 HG3 LYS 14 2HG LYS 14 -8.976 -0.848 -2.872 91 HD2 LYS 14 1HD LYS 14 -10.133 1.231 -3.534 92 HD3 LYS 14 2HD LYS 14 -8.858 1.565 -4.706 93 HE2 LYS 14 1HE LYS 14 -9.390 -0.533 -5.891 94 HE3 LYS 14 2HE LYS 14 -10.663 -0.873 -4.718 95 HZ1 LYS 14 3HZ LYS 14 -10.863 1.749 -5.856 96 HZ2 LYS 14 1HZ LYS 14 -12.043 0.540 -5.711 97 HZ3 LYS 14 2HZ LYS 14 -10.969 0.521 -7.027 98 H CYS 15 H CYS 15 -4.354 0.701 -1.765 99 HA CYS 15 HA CYS 15 -3.819 1.518 0.890 100 HB2 CYS 15 2HB CYS 15 -2.176 0.886 -0.999 101 HB3 CYS 15 1HB CYS 15 -2.379 2.551 -1.535 102 H CYS 16 H CYS 16 -4.043 3.439 1.890 103 HA CYS 16 HA CYS 16 -5.919 5.305 1.130 104 HB2 CYS 16 2HB CYS 16 -3.468 5.604 2.876 105 HB3 CYS 16 1HB CYS 16 -4.744 6.808 2.781 106 H ASP 17 H ASP 17 -2.881 4.803 -0.258 107 HA ASP 17 HA ASP 17 -3.245 7.041 -2.035 108 HB2 ASP 17 1HB ASP 17 -1.130 7.074 0.084 109 HB3 ASP 17 2HB ASP 17 -0.761 7.759 -1.496 110 H LEU 18 H LEU 18 -3.337 5.356 -3.564 111 HA LEU 18 HA LEU 18 -1.253 3.446 -3.910 112 HB2 LEU 18 1HB LEU 18 -3.454 4.450 -5.709 113 HB3 LEU 18 2HB LEU 18 -2.325 3.201 -6.215 114 HG LEU 18 HG LEU 18 -3.932 3.010 -3.650 115 HD11 LEU 18 1HD1 LEU 18 -5.545 3.146 -5.443 116 HD12 LEU 18 2HD1 LEU 18 -5.406 1.452 -4.975 117 HD13 LEU 18 3HD1 LEU 18 -4.604 2.031 -6.435 118 HD21 LEU 18 3HD2 LEU 18 -2.183 1.154 -5.256 119 HD22 LEU 18 1HD2 LEU 18 -3.518 0.485 -4.327 120 HD23 LEU 18 2HD2 LEU 18 -2.247 1.389 -3.515 121 H ASP 19 H ASP 19 -1.582 6.761 -4.777 122 HA ASP 19 HA ASP 19 0.257 6.737 -6.982 123 HB2 ASP 19 1HB ASP 19 -1.484 8.487 -6.652 124 HB3 ASP 19 2HB ASP 19 -0.596 9.054 -5.237 125 H ASN 20 H ASN 20 0.507 7.771 -3.569 126 HA ASN 20 HA ASN 20 3.361 8.225 -3.823 127 HB2 ASN 20 1HB ASN 20 1.525 8.259 -1.423 128 HB3 ASN 20 2HB ASN 20 3.224 8.686 -1.373 129 HD21 ASN 20 1HD2 ASN 20 0.522 11.397 -2.493 130 HD22 ASN 20 2HD2 ASN 20 0.118 9.919 -1.777 131 H PHE 21 H PHE 21 1.272 5.634 -2.861 132 HA PHE 21 HA PHE 21 3.628 4.083 -1.999 133 HB2 PHE 21 2HB PHE 21 0.756 3.758 -1.113 134 HB3 PHE 21 1HB PHE 21 2.114 2.768 -0.591 135 HD1 PHE 21 1HD PHE 21 0.895 6.274 -0.692 136 HD2 PHE 21 2HD PHE 21 3.470 3.464 1.258 137 HE1 PHE 21 1HE PHE 21 1.331 7.927 1.088 138 HE2 PHE 21 2HE PHE 21 3.917 5.118 3.030 139 HZ PHE 21 HZ PHE 21 2.844 7.347 2.957 140 H TYR 22 H TYR 22 3.618 1.823 -2.546 141 HA TYR 22 HA TYR 22 1.818 1.110 -4.778 142 HB2 TYR 22 2HB TYR 22 3.647 0.218 -6.035 143 HB3 TYR 22 1HB TYR 22 4.127 1.829 -5.542 144 HD1 TYR 22 1HD TYR 22 4.507 -1.787 -4.664 145 HD2 TYR 22 2HD TYR 22 5.982 2.199 -4.192 146 HE1 TYR 22 1HE TYR 22 6.550 -2.650 -3.703 147 HE2 TYR 22 2HE TYR 22 8.019 1.324 -3.182 148 HH TYR 22 HH TYR 22 9.296 -0.586 -2.961 149 H CYS 23 H CYS 23 1.718 -1.231 -5.169 150 HA CYS 23 HA CYS 23 1.894 -2.688 -2.639 151 HB2 CYS 23 2HB CYS 23 0.231 -3.112 -5.110 152 HB3 CYS 23 1HB CYS 23 0.365 -4.309 -3.825 153 HA PRO 24 HA PRO 24 5.600 -4.627 -4.554 154 HB2 PRO 24 2HB PRO 24 5.135 -6.413 -2.207 155 HB3 PRO 24 1HB PRO 24 6.630 -5.647 -2.758 156 HG2 PRO 24 2HG PRO 24 5.285 -4.738 -0.665 157 HG3 PRO 24 1HG PRO 24 6.152 -3.669 -1.749 158 HD2 PRO 24 2HD PRO 24 3.243 -4.088 -1.455 159 HD3 PRO 24 1HD PRO 24 4.122 -2.662 -2.021 160 H MET 25 H MET 25 6.054 -6.671 -5.502 161 HA MET 25 HA MET 25 3.667 -8.116 -6.342 162 HB2 MET 25 1HB MET 25 5.211 -9.246 -7.915 163 HB3 MET 25 2HB MET 25 5.283 -7.490 -8.047 164 HG2 MET 25 1HG MET 25 7.296 -7.446 -6.636 165 HG3 MET 25 2HG MET 25 7.221 -9.196 -6.454 166 HE1 MET 25 3HE MET 25 8.038 -10.844 -7.906 167 HE2 MET 25 1HE MET 25 8.370 -10.712 -9.637 168 HE3 MET 25 2HE MET 25 6.715 -10.601 -9.045 169 H GLU 26 H GLU 26 4.226 -8.523 -3.633 170 HA GLU 26 HA GLU 26 5.263 -11.278 -3.561 171 HB2 GLU 26 1HB GLU 26 5.056 -9.180 -1.389 172 HB3 GLU 26 2HB GLU 26 5.529 -10.857 -1.111 173 HG2 GLU 26 1HG GLU 26 7.426 -10.604 -2.642 174 HG3 GLU 26 2HG GLU 26 6.943 -8.946 -2.992 175 H PHE 27 H PHE 27 4.208 -12.486 -1.654 176 HA PHE 27 HA PHE 27 1.436 -12.785 -2.257 177 HB2 PHE 27 2HB PHE 27 1.688 -14.272 -0.035 178 HB3 PHE 27 1HB PHE 27 2.262 -14.815 -1.611 179 HD1 PHE 27 1HD PHE 27 3.226 -13.796 1.745 180 HD2 PHE 27 2HD PHE 27 4.676 -14.489 -2.237 181 HE1 PHE 27 1HE PHE 27 5.553 -13.881 2.604 182 HE2 PHE 27 2HE PHE 27 6.999 -14.578 -1.380 183 HZ PHE 27 HZ PHE 27 7.439 -14.275 1.040 184 H ILE 28 H ILE 28 3.117 -10.709 -0.174 185 HA ILE 28 HA ILE 28 0.589 -9.878 1.060 186 HB ILE 28 HB ILE 28 1.894 -9.520 3.212 187 HG12 ILE 28 1HG1 ILE 28 3.756 -11.539 1.940 188 HG13 ILE 28 2HG1 ILE 28 4.145 -9.837 2.110 189 HG21 ILE 28 1HG2 ILE 28 1.632 -11.910 3.883 190 HG22 ILE 28 2HG2 ILE 28 1.418 -12.331 2.182 191 HG23 ILE 28 3HG2 ILE 28 0.239 -11.297 2.991 192 HD11 ILE 28 3HD1 ILE 28 4.476 -11.891 4.040 193 HD12 ILE 28 1HD1 ILE 28 3.206 -10.824 4.637 194 HD13 ILE 28 2HD1 ILE 28 4.793 -10.167 4.237 195 HA PRO 29 HA PRO 29 3.198 -6.470 -0.852 196 HB2 PRO 29 2HB PRO 29 0.473 -5.579 -1.628 197 HB3 PRO 29 1HB PRO 29 1.944 -5.678 -2.608 198 HG2 PRO 29 2HG PRO 29 -0.045 -7.410 -2.916 199 HG3 PRO 29 1HG PRO 29 1.649 -7.928 -3.048 200 HD2 PRO 29 2HD PRO 29 -0.275 -8.306 -0.770 201 HD3 PRO 29 1HD PRO 29 0.951 -9.427 -1.399 202 H HIS 30 H HIS 30 3.619 -4.604 0.237 203 HA HIS 30 HA HIS 30 1.518 -3.593 2.077 204 HB2 HIS 30 1HB HIS 30 4.501 -3.696 2.548 205 HB3 HIS 30 2HB HIS 30 3.349 -2.873 3.587 206 HD1 HIS 30 HD1 HIS 30 4.450 -6.300 2.522 207 HD2 HIS 30 HD2 HIS 30 1.744 -4.583 5.181 208 HE1 HIS 30 HE1 HIS 30 3.624 -8.169 4.014 209 H CYS 31 H CYS 31 1.476 -1.334 2.394 210 HA CYS 31 HA CYS 31 1.995 0.196 0.051 211 HB2 CYS 31 2HB CYS 31 1.293 0.990 2.873 212 HB3 CYS 31 1HB CYS 31 1.416 2.147 1.560 213 H LYS 32 H LYS 32 3.967 0.747 -0.634 214 HA LYS 32 HA LYS 32 5.951 1.688 1.379 215 HB2 LYS 32 1HB LYS 32 6.436 0.218 -1.196 216 HB3 LYS 32 2HB LYS 32 7.705 0.856 -0.166 217 HG2 LYS 32 1HG LYS 32 5.676 -1.261 0.564 218 HG3 LYS 32 2HG LYS 32 7.373 -1.543 0.204 219 HD2 LYS 32 1HD LYS 32 7.734 0.283 2.110 220 HD3 LYS 32 2HD LYS 32 6.146 -0.279 2.629 221 HE2 LYS 32 1HE LYS 32 8.572 -2.039 2.164 222 HE3 LYS 32 2HE LYS 32 7.948 -1.551 3.739 223 HZ1 LYS 32 3HZ LYS 32 5.907 -2.660 2.103 224 HZ2 LYS 32 1HZ LYS 32 6.406 -3.121 3.656 225 HZ3 LYS 32 2HZ LYS 32 7.197 -3.748 2.289 226 H LYS 33 H LYS 33 6.880 3.637 1.027 227 HA LYS 33 HA LYS 33 5.809 5.379 -0.948 228 HB2 LYS 33 1HB LYS 33 8.151 5.641 0.938 229 HB3 LYS 33 2HB LYS 33 7.626 6.937 -0.139 230 HG2 LYS 33 1HG LYS 33 5.386 6.891 0.870 231 HG3 LYS 33 2HG LYS 33 5.886 5.565 1.920 232 HD2 LYS 33 1HD LYS 33 7.582 6.988 2.964 233 HD3 LYS 33 2HD LYS 33 7.153 8.317 1.885 234 HE2 LYS 33 1HE LYS 33 4.894 8.376 2.805 235 HE3 LYS 33 2HE LYS 33 5.254 7.001 3.848 236 HZ1 LYS 33 3HZ LYS 33 6.630 9.636 3.918 237 HZ2 LYS 33 1HZ LYS 33 6.962 8.323 4.936 238 HZ3 LYS 33 2HZ LYS 33 5.459 9.111 5.029 239 H TYR 34 H TYR 34 6.564 6.066 -2.848 240 HA TYR 34 HA TYR 34 9.246 5.569 -3.749 241 HB2 TYR 34 2HB TYR 34 8.795 4.065 -5.464 242 HB3 TYR 34 1HB TYR 34 7.933 3.424 -4.090 243 HD1 TYR 34 1HD TYR 34 7.641 3.837 -7.454 244 HD2 TYR 34 2HD TYR 34 5.424 4.772 -3.880 245 HE1 TYR 34 1HE TYR 34 5.551 3.930 -8.761 246 HE2 TYR 34 2HE TYR 34 3.345 4.857 -5.202 247 HH TYR 34 HH TYR 34 3.143 3.719 -8.419 248 H LYS 35 H LYS 35 9.382 6.177 -6.168 249 HA LYS 35 HA LYS 35 7.797 8.635 -6.548 250 HB2 LYS 35 1HB LYS 35 9.799 9.186 -8.116 251 HB3 LYS 35 2HB LYS 35 9.983 9.365 -6.377 252 HG2 LYS 35 1HG LYS 35 10.668 6.731 -7.641 253 HG3 LYS 35 2HG LYS 35 11.806 8.066 -7.794 254 HD2 LYS 35 1HD LYS 35 11.738 8.323 -5.284 255 HD3 LYS 35 2HD LYS 35 10.776 6.845 -5.206 256 HE2 LYS 35 1HE LYS 35 12.569 5.601 -6.329 257 HE3 LYS 35 2HE LYS 35 13.535 7.073 -6.432 258 HZ1 LYS 35 3HZ LYS 35 12.666 5.650 -3.983 259 HZ2 LYS 35 1HZ LYS 35 13.338 7.207 -3.961 260 HZ3 LYS 35 2HZ LYS 35 14.256 5.896 -4.531 261 HA PRO 36 HA PRO 36 6.542 6.006 -10.099 262 HB2 PRO 36 2HB PRO 36 4.086 7.092 -10.505 263 HB3 PRO 36 1HB PRO 36 4.396 5.896 -9.235 264 HG2 PRO 36 2HG PRO 36 4.104 8.843 -9.030 265 HG3 PRO 36 1HG PRO 36 3.557 7.571 -7.926 266 HD2 PRO 36 2HD PRO 36 5.824 9.104 -7.540 267 HD3 PRO 36 1HD PRO 36 5.564 7.503 -6.810 268 H TYR 37 H TYR 37 6.387 6.407 -12.331 269 HA TYR 37 HA TYR 37 6.484 9.193 -13.248 270 HB2 TYR 37 2HB TYR 37 8.445 8.626 -14.707 271 HB3 TYR 37 1HB TYR 37 8.821 8.660 -12.986 272 HD1 TYR 37 1HD TYR 37 8.280 6.488 -15.924 273 HD2 TYR 37 2HD TYR 37 9.312 6.628 -11.757 274 HE1 TYR 37 1HE TYR 37 9.057 4.135 -16.037 275 HE2 TYR 37 2HE TYR 37 10.086 4.278 -11.867 276 HH TYR 37 HH TYR 37 9.312 2.176 -13.827 277 H VAL 38 H VAL 38 4.863 6.504 -13.419 278 HA VAL 38 HA VAL 38 4.887 5.752 -16.145 279 HB VAL 38 HB VAL 38 2.620 4.758 -15.591 280 HG11 VAL 38 1HG1 VAL 38 4.709 3.490 -15.321 281 HG12 VAL 38 2HG1 VAL 38 3.581 3.096 -14.024 282 HG13 VAL 38 3HG1 VAL 38 4.936 4.185 -13.717 283 HG21 VAL 38 3HG2 VAL 38 2.779 6.641 -13.490 284 HG22 VAL 38 1HG2 VAL 38 2.947 5.060 -12.729 285 HG23 VAL 38 2HG2 VAL 38 1.535 5.414 -13.724 286 HA PRO 39 HA PRO 39 2.575 9.085 -17.955 287 HB2 PRO 39 2HB PRO 39 1.430 7.827 -20.090 288 HB3 PRO 39 1HB PRO 39 3.159 8.227 -20.020 289 HG2 PRO 39 2HG PRO 39 1.797 5.628 -19.480 290 HG3 PRO 39 1HG PRO 39 3.294 5.955 -20.372 291 HD2 PRO 39 2HD PRO 39 3.307 5.053 -17.805 292 HD3 PRO 39 1HD PRO 39 4.570 6.127 -18.444 293 H VAL 40 H VAL 40 0.406 9.858 -18.355 294 HA VAL 40 HA VAL 40 -1.736 8.159 -17.220 295 HB VAL 40 HB VAL 40 -1.042 9.830 -15.551 296 HG11 VAL 40 1HG1 VAL 40 -0.589 11.441 -17.761 297 HG12 VAL 40 2HG1 VAL 40 -0.583 11.984 -16.083 298 HG13 VAL 40 3HG1 VAL 40 -2.046 12.138 -17.055 299 HG21 VAL 40 3HG2 VAL 40 -3.665 10.670 -16.815 300 HG22 VAL 40 1HG2 VAL 40 -3.229 10.720 -15.106 301 HG23 VAL 40 2HG2 VAL 40 -3.477 9.169 -15.909 302 H THR 41 H THR 41 -3.626 8.152 -18.307 303 HA THR 41 HA THR 41 -3.699 9.444 -20.903 304 HB THR 41 HB THR 41 -4.486 7.101 -20.541 305 HG1 THR 41 1HG THR 41 -5.685 7.511 -22.192 306 HG21 THR 41 3HG2 THR 41 -6.249 6.575 -19.165 307 HG22 THR 41 1HG2 THR 41 -7.026 8.143 -19.384 308 HG23 THR 41 2HG2 THR 41 -5.647 7.987 -18.295 309 H THR 42 H THR 42 -5.171 9.832 -17.752 310 HA THR 42 HA THR 42 -7.277 11.577 -18.565 311 HB THR 42 HB THR 42 -7.635 11.959 -16.243 312 HG1 THR 42 1HG THR 42 -5.291 12.383 -15.936 313 HG21 THR 42 3HG2 THR 42 -7.865 9.563 -17.169 314 HG22 THR 42 1HG2 THR 42 -7.820 9.751 -15.417 315 HG23 THR 42 2HG2 THR 42 -6.380 9.217 -16.282 Start of MODEL 14 1 HA ASP 1 HA ASP 1 -10.439 3.955 6.090 2 HB2 ASP 1 1HB ASP 1 -12.220 2.511 6.789 3 HB3 ASP 1 2HB ASP 1 -12.391 1.834 5.170 4 H CYS 2 H CYS 2 -8.481 3.094 5.504 5 HA CYS 2 HA CYS 2 -8.120 1.718 2.986 6 HB2 CYS 2 2HB CYS 2 -6.482 3.368 2.115 7 HB3 CYS 2 1HB CYS 2 -8.128 3.993 2.150 8 H ALA 3 H ALA 3 -5.813 1.119 2.634 9 HA ALA 3 HA ALA 3 -4.647 0.349 5.178 10 HB1 ALA 3 3HB ALA 3 -4.788 -0.846 2.692 11 HB2 ALA 3 1HB ALA 3 -3.742 -1.360 4.017 12 HB3 ALA 3 2HB ALA 3 -3.116 -0.285 2.765 13 H LYS 4 H LYS 4 -3.072 1.429 6.179 14 HA LYS 4 HA LYS 4 -1.870 3.757 4.944 15 HB2 LYS 4 1HB LYS 4 -1.516 2.486 7.666 16 HB3 LYS 4 2HB LYS 4 -0.713 3.971 7.158 17 HG2 LYS 4 1HG LYS 4 -2.909 5.017 6.740 18 HG3 LYS 4 2HG LYS 4 -3.711 3.535 7.264 19 HD2 LYS 4 1HD LYS 4 -2.736 3.750 9.493 20 HD3 LYS 4 2HD LYS 4 -1.829 5.174 8.985 21 HE2 LYS 4 1HE LYS 4 -3.845 5.868 10.190 22 HE3 LYS 4 2HE LYS 4 -3.971 6.335 8.495 23 HZ1 LYS 4 3HZ LYS 4 -5.060 3.771 9.482 24 HZ2 LYS 4 1HZ LYS 4 -5.440 4.600 8.051 25 HZ3 LYS 4 2HZ LYS 4 -5.967 5.205 9.547 26 H GLU 5 H GLU 5 0.650 3.898 5.811 27 HA GLU 5 HA GLU 5 2.089 2.304 3.986 28 HB2 GLU 5 1HB GLU 5 2.886 4.495 4.759 29 HB3 GLU 5 2HB GLU 5 3.122 3.844 6.381 30 HG2 GLU 5 1HG GLU 5 4.420 2.514 4.008 31 HG3 GLU 5 2HG GLU 5 5.160 3.929 4.743 32 H GLY 6 H GLY 6 3.208 0.458 4.172 33 HA2 GLY 6 1HA GLY 6 4.143 -1.434 5.113 34 HA3 GLY 6 2HA GLY 6 3.851 -0.756 6.698 35 H GLU 7 H GLU 7 1.026 -0.605 4.902 36 HA GLU 7 HA GLU 7 -0.005 -2.972 6.327 37 HB2 GLU 7 1HB GLU 7 -1.550 -0.721 5.028 38 HB3 GLU 7 2HB GLU 7 -2.214 -2.007 6.031 39 HG2 GLU 7 1HG GLU 7 -0.576 -1.209 7.849 40 HG3 GLU 7 2HG GLU 7 -0.376 0.237 6.861 41 H VAL 8 H VAL 8 -1.310 -4.504 5.277 42 HA VAL 8 HA VAL 8 -0.425 -5.273 2.731 43 HB VAL 8 HB VAL 8 -2.857 -6.129 4.302 44 HG11 VAL 8 1HG1 VAL 8 -2.449 -8.199 2.690 45 HG12 VAL 8 2HG1 VAL 8 -1.765 -6.958 1.639 46 HG13 VAL 8 3HG1 VAL 8 -3.441 -6.836 2.170 47 HG21 VAL 8 3HG2 VAL 8 -1.422 -8.138 4.725 48 HG22 VAL 8 1HG2 VAL 8 -0.739 -6.657 5.396 49 HG23 VAL 8 2HG2 VAL 8 -0.097 -7.324 3.894 50 H CYS 9 H CYS 9 -1.171 -4.966 0.700 51 HA CYS 9 HA CYS 9 -3.766 -3.609 0.343 52 HB2 CYS 9 2HB CYS 9 -2.810 -1.936 -1.147 53 HB3 CYS 9 1HB CYS 9 -2.039 -1.830 0.435 54 H SER 10 H SER 10 -4.413 -3.589 -1.984 55 HA SER 10 HA SER 10 -4.633 -4.560 -4.073 56 HB2 SER 10 1HB SER 10 -1.970 -4.724 -3.719 57 HB3 SER 10 2HB SER 10 -2.371 -6.435 -3.743 58 HG SER 10 HG SER 10 -3.289 -4.564 -5.666 59 H TRP 11 H TRP 11 -3.846 -6.574 -1.306 60 HA TRP 11 HA TRP 11 -4.999 -8.979 -2.297 61 HB2 TRP 11 2HB TRP 11 -3.690 -8.112 0.079 62 HB3 TRP 11 1HB TRP 11 -5.200 -8.878 0.554 63 HD1 TRP 11 1HD TRP 11 -1.790 -9.783 0.003 64 HE1 TRP 11 1HE TRP 11 -1.529 -12.264 -0.653 65 HE3 TRP 11 3HE TRP 11 -6.608 -10.860 -1.250 66 HZ2 TRP 11 2HZ TRP 11 -3.161 -14.425 -1.587 67 HZ3 TRP 11 3HZ TRP 11 -7.236 -13.136 -2.018 68 HH2 TRP 11 2HH TRP 11 -5.517 -14.916 -2.189 69 H GLY 12 H GLY 12 -6.642 -6.536 -2.604 70 HA2 GLY 12 1HA GLY 12 -9.048 -6.668 -2.819 71 HA3 GLY 12 2HA GLY 12 -9.093 -7.556 -1.301 72 H LYS 13 H LYS 13 -6.839 -5.099 -1.098 73 HA LYS 13 HA LYS 13 -8.799 -3.206 0.058 74 HB2 LYS 13 1HB LYS 13 -6.076 -3.953 1.149 75 HB3 LYS 13 2HB LYS 13 -7.099 -2.665 1.783 76 HG2 LYS 13 1HG LYS 13 -8.883 -4.316 2.247 77 HG3 LYS 13 2HG LYS 13 -7.842 -5.603 1.636 78 HD2 LYS 13 1HD LYS 13 -6.163 -5.053 3.378 79 HD3 LYS 13 2HD LYS 13 -7.247 -3.813 4.010 80 HE2 LYS 13 1HE LYS 13 -7.919 -6.763 3.803 81 HE3 LYS 13 2HE LYS 13 -7.436 -5.937 5.283 82 HZ1 LYS 13 3HZ LYS 13 -9.845 -5.380 3.640 83 HZ2 LYS 13 1HZ LYS 13 -9.351 -4.435 4.959 84 HZ3 LYS 13 2HZ LYS 13 -9.806 -6.055 5.199 85 H LYS 14 H LYS 14 -8.280 -1.001 -0.101 86 HA LYS 14 HA LYS 14 -6.333 -0.379 -2.232 87 HB2 LYS 14 1HB LYS 14 -8.712 1.186 -1.206 88 HB3 LYS 14 2HB LYS 14 -7.621 1.731 -2.482 89 HG2 LYS 14 1HG LYS 14 -8.185 -0.405 -3.732 90 HG3 LYS 14 2HG LYS 14 -9.448 -0.686 -2.533 91 HD2 LYS 14 1HD LYS 14 -9.254 1.856 -4.170 92 HD3 LYS 14 2HD LYS 14 -10.223 0.468 -4.658 93 HE2 LYS 14 1HE LYS 14 -11.428 0.631 -2.447 94 HE3 LYS 14 2HE LYS 14 -10.564 2.139 -2.151 95 HZ1 LYS 14 3HZ LYS 14 -12.464 1.554 -4.346 96 HZ2 LYS 14 1HZ LYS 14 -11.464 2.924 -4.329 97 HZ3 LYS 14 2HZ LYS 14 -12.628 2.708 -3.109 98 H CYS 15 H CYS 15 -4.612 0.813 -1.824 99 HA CYS 15 HA CYS 15 -3.873 1.450 0.849 100 HB2 CYS 15 2HB CYS 15 -2.401 0.931 -1.245 101 HB3 CYS 15 1HB CYS 15 -2.570 2.655 -1.559 102 H CYS 16 H CYS 16 -3.564 3.500 1.778 103 HA CYS 16 HA CYS 16 -5.625 5.364 1.401 104 HB2 CYS 16 2HB CYS 16 -2.937 5.637 2.760 105 HB3 CYS 16 1HB CYS 16 -4.247 6.808 2.902 106 H ASP 17 H ASP 17 -2.548 5.015 -0.137 107 HA ASP 17 HA ASP 17 -3.212 7.197 -1.944 108 HB2 ASP 17 1HB ASP 17 -1.059 7.362 0.085 109 HB3 ASP 17 2HB ASP 17 -0.643 7.884 -1.545 110 H LEU 18 H LEU 18 -3.370 5.420 -3.414 111 HA LEU 18 HA LEU 18 -1.237 3.627 -3.948 112 HB2 LEU 18 1HB LEU 18 -3.618 4.531 -5.567 113 HB3 LEU 18 2HB LEU 18 -2.482 3.321 -6.156 114 HG LEU 18 HG LEU 18 -3.854 3.078 -3.465 115 HD11 LEU 18 1HD1 LEU 18 -5.536 3.219 -5.305 116 HD12 LEU 18 2HD1 LEU 18 -5.507 1.640 -4.519 117 HD13 LEU 18 3HD1 LEU 18 -4.740 1.855 -6.093 118 HD21 LEU 18 3HD2 LEU 18 -2.087 1.525 -3.512 119 HD22 LEU 18 1HD2 LEU 18 -2.229 1.262 -5.248 120 HD23 LEU 18 2HD2 LEU 18 -3.421 0.573 -4.151 121 H ASP 19 H ASP 19 -1.775 6.917 -4.785 122 HA ASP 19 HA ASP 19 -0.147 6.968 -7.144 123 HB2 ASP 19 1HB ASP 19 -1.153 9.128 -5.288 124 HB3 ASP 19 2HB ASP 19 -0.194 9.462 -6.730 125 H ASN 20 H ASN 20 0.393 7.559 -3.700 126 HA ASN 20 HA ASN 20 3.227 8.157 -4.228 127 HB2 ASN 20 1HB ASN 20 1.612 8.302 -1.678 128 HB3 ASN 20 2HB ASN 20 3.291 8.771 -1.830 129 HD21 ASN 20 1HD2 ASN 20 0.666 11.561 -2.431 130 HD22 ASN 20 2HD2 ASN 20 0.567 10.254 -1.362 131 H PHE 21 H PHE 21 1.133 5.706 -2.948 132 HA PHE 21 HA PHE 21 3.491 4.133 -2.131 133 HB2 PHE 21 2HB PHE 21 0.626 3.977 -1.191 134 HB3 PHE 21 1HB PHE 21 1.870 2.809 -0.765 135 HD1 PHE 21 1HD PHE 21 1.019 6.434 -0.617 136 HD2 PHE 21 2HD PHE 21 3.416 3.245 0.983 137 HE1 PHE 21 1HE PHE 21 1.771 7.921 1.211 138 HE2 PHE 21 2HE PHE 21 4.168 4.738 2.810 139 HZ PHE 21 HZ PHE 21 3.347 7.073 2.932 140 H TYR 22 H TYR 22 3.472 1.864 -2.599 141 HA TYR 22 HA TYR 22 1.690 1.088 -4.822 142 HB2 TYR 22 2HB TYR 22 3.524 0.253 -6.093 143 HB3 TYR 22 1HB TYR 22 3.993 1.865 -5.583 144 HD1 TYR 22 1HD TYR 22 4.549 -1.759 -5.016 145 HD2 TYR 22 2HD TYR 22 5.696 2.235 -3.968 146 HE1 TYR 22 1HE TYR 22 6.614 -2.584 -4.033 147 HE2 TYR 22 2HE TYR 22 7.738 1.400 -2.962 148 HH TYR 22 HH TYR 22 8.230 -1.880 -2.272 149 H CYS 23 H CYS 23 1.667 -1.267 -5.179 150 HA CYS 23 HA CYS 23 1.887 -2.688 -2.628 151 HB2 CYS 23 2HB CYS 23 0.241 -3.262 -5.080 152 HB3 CYS 23 1HB CYS 23 0.338 -4.319 -3.675 153 HA PRO 24 HA PRO 24 5.586 -4.533 -4.646 154 HB2 PRO 24 2HB PRO 24 5.328 -6.203 -2.179 155 HB3 PRO 24 1HB PRO 24 6.758 -5.410 -2.855 156 HG2 PRO 24 2HG PRO 24 5.537 -4.418 -0.743 157 HG3 PRO 24 1HG PRO 24 6.198 -3.366 -1.986 158 HD2 PRO 24 2HD PRO 24 3.355 -4.062 -1.433 159 HD3 PRO 24 1HD PRO 24 4.053 -2.562 -2.051 160 H MET 25 H MET 25 5.989 -6.476 -5.707 161 HA MET 25 HA MET 25 3.636 -8.175 -6.101 162 HB2 MET 25 1HB MET 25 4.972 -7.285 -8.037 163 HB3 MET 25 2HB MET 25 6.309 -8.310 -7.511 164 HG2 MET 25 1HG MET 25 4.864 -10.303 -7.725 165 HG3 MET 25 2HG MET 25 3.530 -9.275 -8.247 166 HE1 MET 25 3HE MET 25 6.885 -10.729 -8.781 167 HE2 MET 25 1HE MET 25 7.507 -9.166 -9.324 168 HE3 MET 25 2HE MET 25 7.315 -10.486 -10.472 169 H GLU 26 H GLU 26 3.974 -8.954 -3.801 170 HA GLU 26 HA GLU 26 5.604 -11.385 -3.874 171 HB2 GLU 26 1HB GLU 26 5.639 -9.259 -1.728 172 HB3 GLU 26 2HB GLU 26 6.162 -10.913 -1.423 173 HG2 GLU 26 1HG GLU 26 8.153 -9.769 -1.993 174 HG3 GLU 26 2HG GLU 26 7.712 -10.612 -3.474 175 H PHE 27 H PHE 27 5.070 -12.563 -1.623 176 HA PHE 27 HA PHE 27 2.448 -13.515 -1.863 177 HB2 PHE 27 2HB PHE 27 4.270 -14.808 -0.817 178 HB3 PHE 27 1HB PHE 27 4.280 -13.683 0.543 179 HD1 PHE 27 1HD PHE 27 2.019 -15.957 -1.378 180 HD2 PHE 27 2HD PHE 27 2.838 -14.036 2.377 181 HE1 PHE 27 1HE PHE 27 0.175 -17.235 -0.324 182 HE2 PHE 27 2HE PHE 27 0.992 -15.316 3.431 183 HZ PHE 27 HZ PHE 27 -0.340 -16.913 2.081 184 H ILE 28 H ILE 28 3.853 -11.242 0.485 185 HA ILE 28 HA ILE 28 1.115 -10.326 1.115 186 HB ILE 28 HB ILE 28 2.133 -9.793 3.419 187 HG12 ILE 28 1HG1 ILE 28 4.016 -12.007 2.550 188 HG13 ILE 28 2HG1 ILE 28 4.483 -10.310 2.628 189 HG21 ILE 28 1HG2 ILE 28 1.199 -12.368 2.279 190 HG22 ILE 28 2HG2 ILE 28 0.522 -11.410 3.594 191 HG23 ILE 28 3HG2 ILE 28 1.916 -12.452 3.887 192 HD11 ILE 28 3HD1 ILE 28 4.861 -10.498 4.836 193 HD12 ILE 28 1HD1 ILE 28 4.443 -12.208 4.749 194 HD13 ILE 28 2HD1 ILE 28 3.194 -11.012 5.093 195 HA PRO 29 HA PRO 29 3.645 -6.800 -0.604 196 HB2 PRO 29 2HB PRO 29 0.847 -5.981 -1.238 197 HB3 PRO 29 1HB PRO 29 2.292 -5.937 -2.266 198 HG2 PRO 29 2HG PRO 29 0.419 -7.763 -2.644 199 HG3 PRO 29 1HG PRO 29 2.131 -8.195 -2.788 200 HD2 PRO 29 2HD PRO 29 0.235 -8.762 -0.529 201 HD3 PRO 29 1HD PRO 29 1.518 -9.786 -1.210 202 H HIS 30 H HIS 30 3.807 -4.665 0.181 203 HA HIS 30 HA HIS 30 1.839 -3.853 2.219 204 HB2 HIS 30 1HB HIS 30 4.835 -3.774 2.626 205 HB3 HIS 30 2HB HIS 30 3.627 -3.098 3.704 206 HD1 HIS 30 HD1 HIS 30 5.324 -6.257 2.895 207 HD2 HIS 30 HD2 HIS 30 1.823 -5.093 4.836 208 HE1 HIS 30 HE1 HIS 30 4.549 -8.263 4.234 209 H CYS 31 H CYS 31 1.391 -1.707 2.274 210 HA CYS 31 HA CYS 31 1.909 -0.121 0.019 211 HB2 CYS 31 2HB CYS 31 0.916 0.459 2.786 212 HB3 CYS 31 1HB CYS 31 1.226 1.783 1.671 213 H LYS 32 H LYS 32 3.762 0.770 -0.618 214 HA LYS 32 HA LYS 32 5.587 1.851 1.450 215 HB2 LYS 32 1HB LYS 32 6.393 -0.350 0.560 216 HB3 LYS 32 2HB LYS 32 6.460 0.376 -1.026 217 HG2 LYS 32 1HG LYS 32 8.653 0.671 -0.314 218 HG3 LYS 32 2HG LYS 32 7.936 2.206 0.161 219 HD2 LYS 32 1HD LYS 32 7.582 1.366 2.444 220 HD3 LYS 32 2HD LYS 32 8.254 -0.198 1.981 221 HE2 LYS 32 1HE LYS 32 9.973 1.148 3.101 222 HE3 LYS 32 2HE LYS 32 10.401 0.916 1.405 223 HZ1 LYS 32 3HZ LYS 32 9.987 3.077 0.903 224 HZ2 LYS 32 1HZ LYS 32 10.440 3.279 2.526 225 HZ3 LYS 32 2HZ LYS 32 8.795 3.257 2.099 226 H LYS 33 H LYS 33 6.160 3.887 1.117 227 HA LYS 33 HA LYS 33 5.174 5.369 -1.080 228 HB2 LYS 33 1HB LYS 33 5.562 6.357 1.146 229 HB3 LYS 33 2HB LYS 33 7.297 6.163 0.911 230 HG2 LYS 33 1HG LYS 33 7.263 7.646 -1.006 231 HG3 LYS 33 2HG LYS 33 5.504 7.743 -0.951 232 HD2 LYS 33 1HD LYS 33 7.033 8.492 1.510 233 HD3 LYS 33 2HD LYS 33 7.019 9.630 0.162 234 HE2 LYS 33 1HE LYS 33 4.548 9.577 0.141 235 HE3 LYS 33 2HE LYS 33 4.563 8.446 1.493 236 HZ1 LYS 33 3HZ LYS 33 5.500 11.256 1.465 237 HZ2 LYS 33 1HZ LYS 33 5.872 10.180 2.721 238 HZ3 LYS 33 2HZ LYS 33 4.253 10.583 2.401 239 H TYR 34 H TYR 34 6.073 5.959 -2.970 240 HA TYR 34 HA TYR 34 8.937 5.587 -3.407 241 HB2 TYR 34 2HB TYR 34 8.703 4.187 -5.279 242 HB3 TYR 34 1HB TYR 34 7.664 3.475 -4.053 243 HD1 TYR 34 1HD TYR 34 7.829 4.517 -7.411 244 HD2 TYR 34 2HD TYR 34 5.155 4.469 -4.042 245 HE1 TYR 34 1HE TYR 34 5.893 4.719 -8.935 246 HE2 TYR 34 2HE TYR 34 3.227 4.637 -5.573 247 HH TYR 34 HH TYR 34 3.687 5.077 -9.070 248 H LYS 35 H LYS 35 9.166 6.101 -6.011 249 HA LYS 35 HA LYS 35 8.154 8.826 -6.189 250 HB2 LYS 35 1HB LYS 35 9.849 8.870 -8.167 251 HB3 LYS 35 2HB LYS 35 10.433 8.910 -6.503 252 HG2 LYS 35 1HG LYS 35 10.038 6.230 -7.749 253 HG3 LYS 35 2HG LYS 35 11.414 7.183 -8.300 254 HD2 LYS 35 1HD LYS 35 12.146 7.445 -5.940 255 HD3 LYS 35 2HD LYS 35 10.814 6.408 -5.422 256 HE2 LYS 35 1HE LYS 35 11.689 4.561 -6.757 257 HE3 LYS 35 2HE LYS 35 12.986 5.589 -7.368 258 HZ1 LYS 35 3HZ LYS 35 13.534 5.946 -4.919 259 HZ2 LYS 35 1HZ LYS 35 13.950 4.454 -5.608 260 HZ3 LYS 35 2HZ LYS 35 12.568 4.581 -4.627 261 HA PRO 36 HA PRO 36 5.397 7.010 -9.332 262 HB2 PRO 36 2HB PRO 36 3.642 9.076 -9.508 263 HB3 PRO 36 1HB PRO 36 3.608 7.899 -8.181 264 HG2 PRO 36 2HG PRO 36 4.664 10.674 -8.226 265 HG3 PRO 36 1HG PRO 36 3.829 9.802 -6.930 266 HD2 PRO 36 2HD PRO 36 6.569 10.182 -7.048 267 HD3 PRO 36 1HD PRO 36 5.780 8.889 -6.123 268 H TYR 37 H TYR 37 7.596 9.473 -9.541 269 HA TYR 37 HA TYR 37 8.609 10.557 -11.293 270 HB2 TYR 37 2HB TYR 37 6.910 8.889 -13.153 271 HB3 TYR 37 1HB TYR 37 8.488 9.603 -13.468 272 HD1 TYR 37 1HD TYR 37 6.780 6.664 -12.423 273 HD2 TYR 37 2HD TYR 37 10.434 8.857 -11.880 274 HE1 TYR 37 1HE TYR 37 7.885 4.612 -11.579 275 HE2 TYR 37 2HE TYR 37 11.539 6.804 -11.038 276 HH TYR 37 HH TYR 37 11.325 4.640 -10.623 277 H VAL 38 H VAL 38 8.122 12.023 -13.179 278 HA VAL 38 HA VAL 38 5.372 13.104 -13.018 279 HB VAL 38 HB VAL 38 6.308 15.371 -13.123 280 HG11 VAL 38 1HG1 VAL 38 7.454 13.695 -10.870 281 HG12 VAL 38 2HG1 VAL 38 5.809 14.323 -10.934 282 HG13 VAL 38 3HG1 VAL 38 7.172 15.434 -10.821 283 HG21 VAL 38 3HG2 VAL 38 8.961 15.036 -12.326 284 HG22 VAL 38 1HG2 VAL 38 8.420 15.549 -13.924 285 HG23 VAL 38 2HG2 VAL 38 8.755 13.845 -13.611 286 HA PRO 39 HA PRO 39 6.811 12.392 -17.404 287 HB2 PRO 39 2HB PRO 39 4.703 10.854 -18.198 288 HB3 PRO 39 1HB PRO 39 6.160 10.185 -17.439 289 HG2 PRO 39 2HG PRO 39 3.490 10.746 -16.250 290 HG3 PRO 39 1HG PRO 39 4.593 9.388 -15.966 291 HD2 PRO 39 2HD PRO 39 4.348 11.517 -14.258 292 HD3 PRO 39 1HD PRO 39 5.830 10.547 -14.399 293 H VAL 40 H VAL 40 5.974 13.364 -19.296 294 HA VAL 40 HA VAL 40 4.281 15.604 -18.882 295 HB VAL 40 HB VAL 40 4.438 15.895 -21.331 296 HG11 VAL 40 1HG1 VAL 40 6.301 16.846 -20.333 297 HG12 VAL 40 2HG1 VAL 40 7.084 15.638 -21.351 298 HG13 VAL 40 3HG1 VAL 40 6.836 15.318 -19.635 299 HG21 VAL 40 3HG2 VAL 40 5.090 13.046 -21.151 300 HG22 VAL 40 1HG2 VAL 40 6.251 13.947 -22.126 301 HG23 VAL 40 2HG2 VAL 40 4.536 13.983 -22.538 302 H THR 41 H THR 41 3.640 12.313 -19.552 303 HA THR 41 HA THR 41 1.133 12.686 -20.912 304 HB THR 41 HB THR 41 0.853 10.285 -20.610 305 HG1 THR 41 1HG THR 41 2.553 10.783 -18.539 306 HG21 THR 41 3HG2 THR 41 3.788 10.792 -21.114 307 HG22 THR 41 1HG2 THR 41 2.541 11.249 -22.274 308 HG23 THR 41 2HG2 THR 41 2.761 9.555 -21.837 309 H THR 42 H THR 42 -0.941 11.936 -19.998 310 HA THR 42 HA THR 42 -1.202 12.808 -17.189 311 HB THR 42 HB THR 42 -3.175 12.748 -19.478 312 HG1 THR 42 1HG THR 42 -1.685 14.647 -18.105 313 HG21 THR 42 3HG2 THR 42 -4.555 12.167 -17.690 314 HG22 THR 42 1HG2 THR 42 -4.608 13.929 -17.619 315 HG23 THR 42 2HG2 THR 42 -3.565 13.033 -16.514 Start of MODEL 15 1 HA ASP 1 HA ASP 1 -11.587 1.422 5.891 2 HB2 ASP 1 1HB ASP 1 -11.982 3.768 4.470 3 HB3 ASP 1 2HB ASP 1 -13.014 3.172 5.768 4 H CYS 2 H CYS 2 -8.501 2.342 5.784 5 HA CYS 2 HA CYS 2 -8.158 1.426 3.047 6 HB2 CYS 2 2HB CYS 2 -6.845 3.346 2.339 7 HB3 CYS 2 1HB CYS 2 -8.464 3.875 2.791 8 H ALA 3 H ALA 3 -5.807 1.164 2.521 9 HA ALA 3 HA ALA 3 -4.450 0.030 4.821 10 HB1 ALA 3 3HB ALA 3 -3.535 -1.333 3.294 11 HB2 ALA 3 1HB ALA 3 -2.884 0.036 2.392 12 HB3 ALA 3 2HB ALA 3 -4.525 -0.530 2.072 13 H LYS 4 H LYS 4 -2.807 0.928 5.913 14 HA LYS 4 HA LYS 4 -1.878 3.580 5.073 15 HB2 LYS 4 1HB LYS 4 -1.490 2.054 7.661 16 HB3 LYS 4 2HB LYS 4 -0.907 3.688 7.353 17 HG2 LYS 4 1HG LYS 4 -3.226 4.437 6.935 18 HG3 LYS 4 2HG LYS 4 -3.805 2.804 7.262 19 HD2 LYS 4 1HD LYS 4 -2.879 2.927 9.547 20 HD3 LYS 4 2HD LYS 4 -2.308 4.564 9.224 21 HE2 LYS 4 1HE LYS 4 -4.610 5.321 8.846 22 HE3 LYS 4 2HE LYS 4 -5.207 3.682 9.108 23 HZ1 LYS 4 3HZ LYS 4 -4.582 3.741 11.346 24 HZ2 LYS 4 1HZ LYS 4 -5.292 5.257 11.067 25 HZ3 LYS 4 2HZ LYS 4 -3.601 5.113 11.140 26 H GLU 5 H GLU 5 0.510 4.021 5.586 27 HA GLU 5 HA GLU 5 2.146 2.608 3.860 28 HB2 GLU 5 1HB GLU 5 2.742 4.816 4.712 29 HB3 GLU 5 2HB GLU 5 2.940 4.161 6.337 30 HG2 GLU 5 1HG GLU 5 4.802 2.794 5.637 31 HG3 GLU 5 2HG GLU 5 4.528 3.194 3.944 32 H GLY 6 H GLY 6 3.106 0.685 3.924 33 HA2 GLY 6 1HA GLY 6 4.206 -1.167 4.776 34 HA3 GLY 6 2HA GLY 6 4.061 -0.490 6.378 35 H GLU 7 H GLU 7 1.070 -0.333 4.979 36 HA GLU 7 HA GLU 7 0.157 -2.651 6.518 37 HB2 GLU 7 1HB GLU 7 -0.926 -0.335 6.645 38 HB3 GLU 7 2HB GLU 7 -1.576 -0.677 5.041 39 HG2 GLU 7 1HG GLU 7 -2.695 -2.673 5.862 40 HG3 GLU 7 2HG GLU 7 -1.973 -2.459 7.455 41 H VAL 8 H VAL 8 -1.158 -4.289 5.632 42 HA VAL 8 HA VAL 8 -0.367 -5.282 3.149 43 HB VAL 8 HB VAL 8 -2.790 -5.902 4.838 44 HG11 VAL 8 1HG1 VAL 8 -2.543 -8.107 3.370 45 HG12 VAL 8 2HG1 VAL 8 -1.864 -6.975 2.200 46 HG13 VAL 8 3HG1 VAL 8 -3.505 -6.743 2.802 47 HG21 VAL 8 3HG2 VAL 8 -0.114 -7.270 4.412 48 HG22 VAL 8 1HG2 VAL 8 -1.438 -7.942 5.360 49 HG23 VAL 8 2HG2 VAL 8 -0.649 -6.453 5.880 50 H CYS 9 H CYS 9 -1.073 -5.035 1.096 51 HA CYS 9 HA CYS 9 -3.635 -3.623 0.660 52 HB2 CYS 9 2HB CYS 9 -2.625 -2.133 -0.964 53 HB3 CYS 9 1HB CYS 9 -1.776 -1.961 0.571 54 H SER 10 H SER 10 -4.264 -3.728 -1.694 55 HA SER 10 HA SER 10 -4.634 -4.895 -3.645 56 HB2 SER 10 1HB SER 10 -2.249 -6.631 -3.078 57 HB3 SER 10 2HB SER 10 -2.919 -6.137 -4.618 58 HG SER 10 HG SER 10 -2.327 -3.937 -3.933 59 H TRP 11 H TRP 11 -3.880 -6.620 -0.697 60 HA TRP 11 HA TRP 11 -5.061 -9.110 -1.431 61 HB2 TRP 11 2HB TRP 11 -3.730 -8.007 0.840 62 HB3 TRP 11 1HB TRP 11 -5.224 -8.728 1.393 63 HD1 TRP 11 1HD TRP 11 -1.806 -9.645 0.784 64 HE1 TRP 11 1HE TRP 11 -1.545 -12.182 0.408 65 HE3 TRP 11 3HE TRP 11 -6.678 -10.913 -0.037 66 HZ2 TRP 11 2HZ TRP 11 -3.188 -14.451 -0.166 67 HZ3 TRP 11 3HZ TRP 11 -7.306 -13.274 -0.497 68 HH2 TRP 11 2HH TRP 11 -5.566 -15.041 -0.562 69 H GLY 12 H GLY 12 -6.764 -7.014 -2.211 70 HA2 GLY 12 1HA GLY 12 -9.145 -7.043 -2.283 71 HA3 GLY 12 2HA GLY 12 -9.163 -7.718 -0.657 72 H LYS 13 H LYS 13 -6.895 -5.284 -0.764 73 HA LYS 13 HA LYS 13 -8.838 -3.201 0.021 74 HB2 LYS 13 1HB LYS 13 -6.295 -3.949 1.483 75 HB3 LYS 13 2HB LYS 13 -7.290 -2.539 1.846 76 HG2 LYS 13 1HG LYS 13 -9.216 -4.015 2.306 77 HG3 LYS 13 2HG LYS 13 -8.218 -5.426 1.952 78 HD2 LYS 13 1HD LYS 13 -6.680 -4.773 3.790 79 HD3 LYS 13 2HD LYS 13 -7.737 -3.412 4.168 80 HE2 LYS 13 1HE LYS 13 -8.586 -6.323 4.200 81 HE3 LYS 13 2HE LYS 13 -8.181 -5.376 5.631 82 HZ1 LYS 13 3HZ LYS 13 -10.513 -5.188 3.871 83 HZ2 LYS 13 1HZ LYS 13 -9.942 -3.759 4.582 84 HZ3 LYS 13 2HZ LYS 13 -10.417 -5.063 5.563 85 H LYS 14 H LYS 14 -8.182 -1.055 -0.365 86 HA LYS 14 HA LYS 14 -5.975 -0.804 -2.308 87 HB2 LYS 14 1HB LYS 14 -7.094 1.267 -2.992 88 HB3 LYS 14 2HB LYS 14 -8.203 -0.095 -3.098 89 HG2 LYS 14 1HG LYS 14 -9.133 0.511 -0.884 90 HG3 LYS 14 2HG LYS 14 -8.049 1.899 -0.814 91 HD2 LYS 14 1HD LYS 14 -9.069 2.823 -2.850 92 HD3 LYS 14 2HD LYS 14 -10.151 1.433 -2.944 93 HE2 LYS 14 1HE LYS 14 -11.112 2.025 -0.752 94 HE3 LYS 14 2HE LYS 14 -10.027 3.410 -0.647 95 HZ1 LYS 14 3HZ LYS 14 -11.127 4.513 -2.316 96 HZ2 LYS 14 1HZ LYS 14 -12.416 3.718 -1.553 97 HZ3 LYS 14 2HZ LYS 14 -11.769 3.095 -2.996 98 H CYS 15 H CYS 15 -4.351 0.662 -2.028 99 HA CYS 15 HA CYS 15 -3.727 1.415 0.663 100 HB2 CYS 15 2HB CYS 15 -2.134 0.854 -1.327 101 HB3 CYS 15 1HB CYS 15 -2.353 2.549 -1.737 102 H CYS 16 H CYS 16 -4.263 3.219 1.717 103 HA CYS 16 HA CYS 16 -6.102 5.067 1.002 104 HB2 CYS 16 2HB CYS 16 -4.252 4.814 3.085 105 HB3 CYS 16 1HB CYS 16 -3.984 6.424 2.429 106 H ASP 17 H ASP 17 -2.707 5.116 0.124 107 HA ASP 17 HA ASP 17 -3.312 7.268 -1.805 108 HB2 ASP 17 1HB ASP 17 -0.958 7.078 0.072 109 HB3 ASP 17 2HB ASP 17 -0.948 8.097 -1.367 110 H LEU 18 H LEU 18 -3.336 6.020 -3.619 111 HA LEU 18 HA LEU 18 -1.216 4.072 -4.080 112 HB2 LEU 18 1HB LEU 18 -3.672 4.864 -5.660 113 HB3 LEU 18 2HB LEU 18 -2.505 3.673 -6.218 114 HG LEU 18 HG LEU 18 -3.728 3.424 -3.474 115 HD11 LEU 18 1HD1 LEU 18 -5.365 1.813 -4.667 116 HD12 LEU 18 2HD1 LEU 18 -4.950 2.695 -6.139 117 HD13 LEU 18 3HD1 LEU 18 -5.696 3.541 -4.784 118 HD21 LEU 18 3HD2 LEU 18 -3.358 0.971 -4.072 119 HD22 LEU 18 1HD2 LEU 18 -1.891 1.920 -3.911 120 HD23 LEU 18 2HD2 LEU 18 -2.509 1.523 -5.507 121 H ASP 19 H ASP 19 -1.593 7.341 -4.494 122 HA ASP 19 HA ASP 19 -0.108 7.489 -7.013 123 HB2 ASP 19 1HB ASP 19 -0.471 9.897 -6.844 124 HB3 ASP 19 2HB ASP 19 -1.994 9.044 -6.610 125 H ASN 20 H ASN 20 0.668 6.967 -3.878 126 HA ASN 20 HA ASN 20 3.344 8.145 -4.235 127 HB2 ASN 20 1HB ASN 20 1.681 8.328 -1.719 128 HB3 ASN 20 2HB ASN 20 3.356 8.804 -1.847 129 HD21 ASN 20 1HD2 ASN 20 0.542 11.427 -2.834 130 HD22 ASN 20 2HD2 ASN 20 0.263 10.044 -1.903 131 H PHE 21 H PHE 21 1.299 5.620 -3.096 132 HA PHE 21 HA PHE 21 3.671 4.116 -2.185 133 HB2 PHE 21 2HB PHE 21 0.798 3.832 -1.291 134 HB3 PHE 21 1HB PHE 21 2.132 2.818 -0.762 135 HD1 PHE 21 1HD PHE 21 1.040 6.384 -0.917 136 HD2 PHE 21 2HD PHE 21 3.484 3.466 1.053 137 HE1 PHE 21 1HE PHE 21 1.608 8.049 0.823 138 HE2 PHE 21 2HE PHE 21 4.062 5.136 2.793 139 HZ PHE 21 HZ PHE 21 3.128 7.424 2.679 140 H TYR 22 H TYR 22 3.666 1.821 -2.625 141 HA TYR 22 HA TYR 22 1.889 1.011 -4.842 142 HB2 TYR 22 2HB TYR 22 3.726 0.128 -6.096 143 HB3 TYR 22 1HB TYR 22 4.193 1.755 -5.641 144 HD1 TYR 22 1HD TYR 22 4.709 -1.844 -4.926 145 HD2 TYR 22 2HD TYR 22 5.945 2.160 -4.037 146 HE1 TYR 22 1HE TYR 22 6.706 -2.689 -3.831 147 HE2 TYR 22 2HE TYR 22 7.940 1.307 -2.924 148 HH TYR 22 HH TYR 22 8.301 -1.919 -2.016 149 H CYS 23 H CYS 23 1.839 -1.350 -5.150 150 HA CYS 23 HA CYS 23 2.050 -2.707 -2.587 151 HB2 CYS 23 2HB CYS 23 0.334 -3.248 -4.957 152 HB3 CYS 23 1HB CYS 23 0.500 -4.370 -3.612 153 HA PRO 24 HA PRO 24 5.697 -4.677 -4.492 154 HB2 PRO 24 2HB PRO 24 5.311 -6.382 -2.067 155 HB3 PRO 24 1HB PRO 24 6.773 -5.599 -2.668 156 HG2 PRO 24 2HG PRO 24 5.474 -4.625 -0.590 157 HG3 PRO 24 1HG PRO 24 6.243 -3.576 -1.767 158 HD2 PRO 24 2HD PRO 24 3.358 -4.171 -1.366 159 HD3 PRO 24 1HD PRO 24 4.149 -2.691 -1.939 160 H MET 25 H MET 25 5.990 -6.544 -5.674 161 HA MET 25 HA MET 25 3.621 -8.086 -6.277 162 HB2 MET 25 1HB MET 25 6.462 -8.195 -7.302 163 HB3 MET 25 2HB MET 25 5.189 -9.277 -7.869 164 HG2 MET 25 1HG MET 25 3.820 -7.241 -8.444 165 HG3 MET 25 2HG MET 25 5.226 -6.253 -8.059 166 HE1 MET 25 3HE MET 25 7.784 -6.808 -10.593 167 HE2 MET 25 1HE MET 25 7.782 -8.034 -9.319 168 HE3 MET 25 2HE MET 25 7.343 -6.370 -8.948 169 H GLU 26 H GLU 26 3.616 -8.808 -3.887 170 HA GLU 26 HA GLU 26 4.914 -11.438 -3.767 171 HB2 GLU 26 1HB GLU 26 4.892 -9.353 -1.576 172 HB3 GLU 26 2HB GLU 26 5.308 -11.047 -1.317 173 HG2 GLU 26 1HG GLU 26 7.151 -10.879 -2.909 174 HG3 GLU 26 2HG GLU 26 6.702 -9.218 -3.290 175 H PHE 27 H PHE 27 3.939 -12.675 -1.826 176 HA PHE 27 HA PHE 27 1.120 -12.864 -2.250 177 HB2 PHE 27 2HB PHE 27 1.505 -14.407 -0.073 178 HB3 PHE 27 1HB PHE 27 1.860 -14.947 -1.715 179 HD1 PHE 27 1HD PHE 27 3.241 -14.088 1.525 180 HD2 PHE 27 2HD PHE 27 4.208 -14.699 -2.614 181 HE1 PHE 27 1HE PHE 27 5.639 -14.315 2.118 182 HE2 PHE 27 2HE PHE 27 6.604 -14.935 -2.022 183 HZ PHE 27 HZ PHE 27 7.320 -14.744 0.344 184 H ILE 28 H ILE 28 3.001 -10.872 -0.296 185 HA ILE 28 HA ILE 28 0.624 -10.027 1.180 186 HB ILE 28 HB ILE 28 2.090 -9.799 3.242 187 HG12 ILE 28 1HG1 ILE 28 3.741 -11.867 1.780 188 HG13 ILE 28 2HG1 ILE 28 4.228 -10.192 1.954 189 HG21 ILE 28 1HG2 ILE 28 1.646 -12.096 3.933 190 HG22 ILE 28 2HG2 ILE 28 1.521 -12.603 2.249 191 HG23 ILE 28 3HG2 ILE 28 0.308 -11.525 2.938 192 HD11 ILE 28 3HD1 ILE 28 4.615 -12.296 3.810 193 HD12 ILE 28 1HD1 ILE 28 3.429 -11.202 4.523 194 HD13 ILE 28 2HD1 ILE 28 5.003 -10.587 4.022 195 HA PRO 29 HA PRO 29 3.246 -6.641 -0.721 196 HB2 PRO 29 2HB PRO 29 0.533 -5.661 -1.435 197 HB3 PRO 29 1HB PRO 29 1.984 -5.805 -2.440 198 HG2 PRO 29 2HG PRO 29 -0.075 -7.474 -2.725 199 HG3 PRO 29 1HG PRO 29 1.599 -8.044 -2.895 200 HD2 PRO 29 2HD PRO 29 -0.278 -8.365 -0.564 201 HD3 PRO 29 1HD PRO 29 0.870 -9.528 -1.256 202 H HIS 30 H HIS 30 3.705 -4.742 0.307 203 HA HIS 30 HA HIS 30 1.749 -3.763 2.316 204 HB2 HIS 30 1HB HIS 30 4.756 -3.905 2.600 205 HB3 HIS 30 2HB HIS 30 3.664 -3.146 3.743 206 HD1 HIS 30 HD1 HIS 30 4.874 -6.470 2.595 207 HD2 HIS 30 HD2 HIS 30 1.965 -4.977 5.176 208 HE1 HIS 30 HE1 HIS 30 4.082 -8.430 3.991 209 H CYS 31 H CYS 31 1.292 -1.643 2.236 210 HA CYS 31 HA CYS 31 1.917 -0.049 0.052 211 HB2 CYS 31 2HB CYS 31 1.037 0.619 2.845 212 HB3 CYS 31 1HB CYS 31 1.305 1.882 1.661 213 H LYS 32 H LYS 32 3.823 0.663 -0.615 214 HA LYS 32 HA LYS 32 5.732 1.631 1.416 215 HB2 LYS 32 1HB LYS 32 6.559 -0.476 0.531 216 HB3 LYS 32 2HB LYS 32 6.340 0.092 -1.095 217 HG2 LYS 32 1HG LYS 32 8.699 0.308 -0.463 218 HG3 LYS 32 2HG LYS 32 8.008 1.906 -0.662 219 HD2 LYS 32 1HD LYS 32 7.831 2.259 1.680 220 HD3 LYS 32 2HD LYS 32 8.078 0.544 2.029 221 HE2 LYS 32 1HE LYS 32 10.383 0.716 1.216 222 HE3 LYS 32 2HE LYS 32 10.127 2.410 0.795 223 HZ1 LYS 32 3HZ LYS 32 11.159 2.406 2.889 224 HZ2 LYS 32 1HZ LYS 32 10.153 1.180 3.489 225 HZ3 LYS 32 2HZ LYS 32 9.522 2.732 3.203 226 H LYS 33 H LYS 33 6.302 3.694 1.161 227 HA LYS 33 HA LYS 33 5.310 5.271 -0.972 228 HB2 LYS 33 1HB LYS 33 5.749 6.184 1.274 229 HB3 LYS 33 2HB LYS 33 7.472 5.935 1.030 230 HG2 LYS 33 1HG LYS 33 7.536 7.523 -0.765 231 HG3 LYS 33 2HG LYS 33 5.775 7.607 -0.835 232 HD2 LYS 33 1HD LYS 33 6.932 8.228 1.812 233 HD3 LYS 33 2HD LYS 33 7.341 9.381 0.542 234 HE2 LYS 33 1HE LYS 33 4.500 8.449 0.934 235 HE3 LYS 33 2HE LYS 33 5.156 9.790 1.873 236 HZ1 LYS 33 3HZ LYS 33 5.733 10.903 -0.194 237 HZ2 LYS 33 1HZ LYS 33 4.071 10.576 -0.130 238 HZ3 LYS 33 2HZ LYS 33 5.088 9.613 -1.090 239 H TYR 34 H TYR 34 6.218 5.908 -2.859 240 HA TYR 34 HA TYR 34 9.063 5.593 -3.326 241 HB2 TYR 34 2HB TYR 34 8.908 4.093 -5.120 242 HB3 TYR 34 1HB TYR 34 7.889 3.409 -3.885 243 HD1 TYR 34 1HD TYR 34 8.032 4.037 -7.275 244 HD2 TYR 34 2HD TYR 34 5.357 4.544 -3.948 245 HE1 TYR 34 1HE TYR 34 6.103 4.141 -8.822 246 HE2 TYR 34 2HE TYR 34 3.444 4.629 -5.492 247 HH TYR 34 HH TYR 34 3.158 3.591 -8.137 248 H LYS 35 H LYS 35 9.401 6.137 -5.839 249 HA LYS 35 HA LYS 35 7.912 8.610 -6.277 250 HB2 LYS 35 1HB LYS 35 10.688 7.959 -7.173 251 HB3 LYS 35 2HB LYS 35 9.849 9.487 -7.405 252 HG2 LYS 35 1HG LYS 35 10.932 10.021 -5.445 253 HG3 LYS 35 2HG LYS 35 9.510 9.251 -4.751 254 HD2 LYS 35 1HD LYS 35 11.409 8.245 -3.682 255 HD3 LYS 35 2HD LYS 35 10.786 7.041 -4.811 256 HE2 LYS 35 1HE LYS 35 12.662 8.738 -6.195 257 HE3 LYS 35 2HE LYS 35 13.406 8.145 -4.714 258 HZ1 LYS 35 3HZ LYS 35 13.787 6.555 -6.411 259 HZ2 LYS 35 1HZ LYS 35 12.155 6.543 -6.871 260 HZ3 LYS 35 2HZ LYS 35 12.616 5.895 -5.370 261 HA PRO 36 HA PRO 36 6.678 6.174 -9.918 262 HB2 PRO 36 2HB PRO 36 4.492 7.682 -10.542 263 HB3 PRO 36 1HB PRO 36 4.480 6.456 -9.260 264 HG2 PRO 36 2HG PRO 36 4.680 9.412 -9.056 265 HG3 PRO 36 1HG PRO 36 3.852 8.256 -7.999 266 HD2 PRO 36 2HD PRO 36 6.289 9.406 -7.467 267 HD3 PRO 36 1HD PRO 36 5.726 7.873 -6.747 268 H TYR 37 H TYR 37 6.724 6.534 -12.178 269 HA TYR 37 HA TYR 37 7.576 9.223 -13.048 270 HB2 TYR 37 2HB TYR 37 8.864 6.609 -13.864 271 HB3 TYR 37 1HB TYR 37 9.269 8.202 -14.505 272 HD1 TYR 37 1HD TYR 37 9.535 5.941 -11.631 273 HD2 TYR 37 2HD TYR 37 10.365 9.898 -13.085 274 HE1 TYR 37 1HE TYR 37 11.075 6.316 -9.730 275 HE2 TYR 37 2HE TYR 37 11.910 10.273 -11.182 276 HH TYR 37 HH TYR 37 12.744 9.442 -9.301 277 H VAL 38 H VAL 38 7.548 9.350 -15.514 278 HA VAL 38 HA VAL 38 5.363 7.717 -16.642 279 HB VAL 38 HB VAL 38 4.368 9.828 -15.961 280 HG11 VAL 38 1HG1 VAL 38 6.919 10.851 -16.800 281 HG12 VAL 38 2HG1 VAL 38 5.626 11.693 -15.948 282 HG13 VAL 38 3HG1 VAL 38 5.648 11.667 -17.710 283 HG21 VAL 38 3HG2 VAL 38 4.170 8.701 -18.428 284 HG22 VAL 38 1HG2 VAL 38 4.697 10.327 -18.869 285 HG23 VAL 38 2HG2 VAL 38 3.224 10.103 -17.924 286 HA PRO 39 HA PRO 39 9.169 7.840 -19.344 287 HB2 PRO 39 2HB PRO 39 8.223 5.062 -19.825 288 HB3 PRO 39 1HB PRO 39 9.854 5.652 -19.453 289 HG2 PRO 39 2HG PRO 39 8.424 4.350 -17.636 290 HG3 PRO 39 1HG PRO 39 9.460 5.719 -17.185 291 HD2 PRO 39 2HD PRO 39 6.470 5.650 -17.511 292 HD3 PRO 39 1HD PRO 39 7.460 6.487 -16.299 293 H VAL 40 H VAL 40 9.217 8.014 -21.598 294 HA VAL 40 HA VAL 40 6.578 7.900 -22.928 295 HB VAL 40 HB VAL 40 9.027 9.539 -23.618 296 HG11 VAL 40 1HG1 VAL 40 7.832 9.028 -25.639 297 HG12 VAL 40 2HG1 VAL 40 7.360 10.663 -25.173 298 HG13 VAL 40 3HG1 VAL 40 6.275 9.310 -24.859 299 HG21 VAL 40 3HG2 VAL 40 7.650 11.441 -22.886 300 HG22 VAL 40 1HG2 VAL 40 7.832 10.282 -21.570 301 HG23 VAL 40 2HG2 VAL 40 6.328 10.345 -22.487 302 H THR 41 H THR 41 6.293 6.350 -24.381 303 HA THR 41 HA THR 41 8.412 5.581 -26.198 304 HB THR 41 HB THR 41 8.855 4.191 -24.169 305 HG1 THR 41 1HG THR 41 8.393 2.131 -25.521 306 HG21 THR 41 3HG2 THR 41 6.128 4.041 -23.984 307 HG22 THR 41 1HG2 THR 41 7.242 2.947 -23.165 308 HG23 THR 41 2HG2 THR 41 6.516 2.477 -24.702 309 H THR 42 H THR 42 7.640 4.071 -27.859 310 HA THR 42 HA THR 42 5.047 4.777 -28.781 311 HB THR 42 HB THR 42 6.244 4.230 -30.623 312 HG1 THR 42 1HG THR 42 5.477 1.670 -29.680 313 HG21 THR 42 3HG2 THR 42 8.337 3.909 -29.541 314 HG22 THR 42 1HG2 THR 42 8.087 2.454 -30.504 315 HG23 THR 42 2HG2 THR 42 7.793 2.421 -28.765 Start of MODEL 16 1 HA ASP 1 HA ASP 1 -10.959 2.777 6.483 2 HB2 ASP 1 1HB ASP 1 -11.752 5.320 6.287 3 HB3 ASP 1 2HB ASP 1 -11.268 5.084 4.609 4 H CYS 2 H CYS 2 -8.025 3.115 5.802 5 HA CYS 2 HA CYS 2 -8.108 1.650 3.311 6 HB2 CYS 2 2HB CYS 2 -6.409 3.254 2.270 7 HB3 CYS 2 1HB CYS 2 -8.090 3.765 2.264 8 H ALA 3 H ALA 3 -5.867 0.997 2.622 9 HA ALA 3 HA ALA 3 -4.432 0.040 4.923 10 HB1 ALA 3 3HB ALA 3 -3.726 -1.508 3.451 11 HB2 ALA 3 1HB ALA 3 -2.977 -0.268 2.451 12 HB3 ALA 3 2HB ALA 3 -4.670 -0.690 2.209 13 H LYS 4 H LYS 4 -3.278 1.477 6.055 14 HA LYS 4 HA LYS 4 -2.001 3.778 4.940 15 HB2 LYS 4 1HB LYS 4 -1.827 2.406 7.625 16 HB3 LYS 4 2HB LYS 4 -0.892 3.847 7.226 17 HG2 LYS 4 1HG LYS 4 -2.870 5.143 6.858 18 HG3 LYS 4 2HG LYS 4 -3.894 3.710 6.893 19 HD2 LYS 4 1HD LYS 4 -4.138 4.812 9.023 20 HD3 LYS 4 2HD LYS 4 -3.175 3.360 9.287 21 HE2 LYS 4 1HE LYS 4 -1.129 4.644 9.359 22 HE3 LYS 4 2HE LYS 4 -1.972 6.109 8.852 23 HZ1 LYS 4 3HZ LYS 4 -3.062 4.815 11.197 24 HZ2 LYS 4 1HZ LYS 4 -2.758 6.458 10.904 25 HZ3 LYS 4 2HZ LYS 4 -1.494 5.437 11.398 26 H GLU 5 H GLU 5 0.469 4.044 5.711 27 HA GLU 5 HA GLU 5 2.014 2.515 3.957 28 HB2 GLU 5 1HB GLU 5 2.738 4.693 4.795 29 HB3 GLU 5 2HB GLU 5 2.895 4.031 6.422 30 HG2 GLU 5 1HG GLU 5 4.659 2.540 5.718 31 HG3 GLU 5 2HG GLU 5 4.417 2.970 4.029 32 H GLY 6 H GLY 6 2.865 0.557 4.052 33 HA2 GLY 6 1HA GLY 6 3.933 -1.290 5.008 34 HA3 GLY 6 2HA GLY 6 3.515 -0.702 6.599 35 H GLU 7 H GLU 7 0.706 -0.368 5.045 36 HA GLU 7 HA GLU 7 -0.348 -2.827 6.182 37 HB2 GLU 7 1HB GLU 7 -1.792 -0.608 4.713 38 HB3 GLU 7 2HB GLU 7 -2.539 -1.899 5.651 39 HG2 GLU 7 1HG GLU 7 -0.594 0.135 6.777 40 HG3 GLU 7 2HG GLU 7 -2.346 0.225 6.942 41 H VAL 8 H VAL 8 -1.544 -4.388 5.044 42 HA VAL 8 HA VAL 8 -0.479 -5.025 2.477 43 HB VAL 8 HB VAL 8 -2.701 -6.286 4.085 44 HG11 VAL 8 1HG1 VAL 8 -1.403 -7.068 1.467 45 HG12 VAL 8 2HG1 VAL 8 -3.122 -6.869 1.807 46 HG13 VAL 8 3HG1 VAL 8 -2.240 -8.235 2.490 47 HG21 VAL 8 3HG2 VAL 8 -0.510 -6.494 5.131 48 HG22 VAL 8 1HG2 VAL 8 0.208 -7.004 3.603 49 HG23 VAL 8 2HG2 VAL 8 -0.949 -8.050 4.426 50 H CYS 9 H CYS 9 -1.270 -4.707 0.484 51 HA CYS 9 HA CYS 9 -4.053 -3.730 0.241 52 HB2 CYS 9 2HB CYS 9 -3.473 -1.737 -0.617 53 HB3 CYS 9 1HB CYS 9 -1.863 -2.050 0.026 54 H SER 10 H SER 10 -4.677 -3.658 -2.169 55 HA SER 10 HA SER 10 -4.886 -4.687 -4.226 56 HB2 SER 10 1HB SER 10 -2.221 -4.784 -3.852 57 HB3 SER 10 2HB SER 10 -2.586 -6.503 -3.866 58 HG SER 10 HG SER 10 -2.848 -4.569 -5.864 59 H TRP 11 H TRP 11 -4.048 -6.622 -1.422 60 HA TRP 11 HA TRP 11 -5.171 -9.067 -2.384 61 HB2 TRP 11 2HB TRP 11 -3.841 -8.146 -0.014 62 HB3 TRP 11 1HB TRP 11 -5.284 -9.041 0.444 63 HD1 TRP 11 1HD TRP 11 -1.837 -9.705 -0.056 64 HE1 TRP 11 1HE TRP 11 -1.396 -12.121 -0.843 65 HE3 TRP 11 3HE TRP 11 -6.527 -10.988 -1.575 66 HZ2 TRP 11 2HZ TRP 11 -2.852 -14.314 -1.977 67 HZ3 TRP 11 3HZ TRP 11 -6.979 -13.247 -2.507 68 HH2 TRP 11 2HH TRP 11 -5.148 -14.908 -2.710 69 H GLY 12 H GLY 12 -6.786 -6.493 -2.430 70 HA2 GLY 12 1HA GLY 12 -9.239 -6.770 -2.620 71 HA3 GLY 12 2HA GLY 12 -9.185 -7.544 -1.043 72 H LYS 13 H LYS 13 -6.930 -5.166 -0.931 73 HA LYS 13 HA LYS 13 -8.847 -3.106 -0.017 74 HB2 LYS 13 1HB LYS 13 -6.281 -3.940 1.351 75 HB3 LYS 13 2HB LYS 13 -7.302 -2.589 1.843 76 HG2 LYS 13 1HG LYS 13 -9.213 -4.243 2.053 77 HG3 LYS 13 2HG LYS 13 -8.031 -5.529 1.827 78 HD2 LYS 13 1HD LYS 13 -7.802 -3.424 3.993 79 HD3 LYS 13 2HD LYS 13 -8.565 -4.991 4.244 80 HE2 LYS 13 1HE LYS 13 -6.408 -6.066 3.473 81 HE3 LYS 13 2HE LYS 13 -5.676 -4.462 3.500 82 HZ1 LYS 13 3HZ LYS 13 -6.813 -5.971 5.774 83 HZ2 LYS 13 1HZ LYS 13 -6.471 -4.312 5.859 84 HZ3 LYS 13 2HZ LYS 13 -5.218 -5.423 5.574 85 H LYS 14 H LYS 14 -8.196 -0.962 -0.279 86 HA LYS 14 HA LYS 14 -5.967 -0.583 -2.186 87 HB2 LYS 14 1HB LYS 14 -8.400 1.134 -1.622 88 HB3 LYS 14 2HB LYS 14 -7.128 1.524 -2.779 89 HG2 LYS 14 1HG LYS 14 -7.614 -0.550 -4.024 90 HG3 LYS 14 2HG LYS 14 -8.889 -0.943 -2.870 91 HD2 LYS 14 1HD LYS 14 -10.079 1.136 -3.471 92 HD3 LYS 14 2HD LYS 14 -8.810 1.524 -4.634 93 HE2 LYS 14 1HE LYS 14 -9.308 -0.548 -5.877 94 HE3 LYS 14 2HE LYS 14 -10.572 -0.945 -4.715 95 HZ1 LYS 14 3HZ LYS 14 -10.497 1.269 -6.666 96 HZ2 LYS 14 1HZ LYS 14 -11.513 1.333 -5.311 97 HZ3 LYS 14 2HZ LYS 14 -11.696 0.086 -6.448 98 H CYS 15 H CYS 15 -4.300 0.671 -1.689 99 HA CYS 15 HA CYS 15 -3.780 1.396 0.991 100 HB2 CYS 15 2HB CYS 15 -2.157 0.940 -1.000 101 HB3 CYS 15 1HB CYS 15 -2.388 2.650 -1.343 102 H CYS 16 H CYS 16 -3.492 3.524 1.864 103 HA CYS 16 HA CYS 16 -5.651 5.261 1.440 104 HB2 CYS 16 2HB CYS 16 -2.976 5.685 2.784 105 HB3 CYS 16 1HB CYS 16 -4.295 6.851 2.849 106 H ASP 17 H ASP 17 -2.331 5.361 0.260 107 HA ASP 17 HA ASP 17 -3.180 7.386 -1.716 108 HB2 ASP 17 1HB ASP 17 -0.706 7.417 0.009 109 HB3 ASP 17 2HB ASP 17 -0.826 8.345 -1.485 110 H LEU 18 H LEU 18 -3.395 5.609 -3.182 111 HA LEU 18 HA LEU 18 -1.257 3.832 -3.791 112 HB2 LEU 18 1HB LEU 18 -3.759 4.651 -5.258 113 HB3 LEU 18 2HB LEU 18 -2.618 3.498 -5.940 114 HG LEU 18 HG LEU 18 -3.773 3.165 -3.160 115 HD11 LEU 18 1HD1 LEU 18 -5.111 1.342 -4.691 116 HD12 LEU 18 2HD1 LEU 18 -5.019 2.713 -5.800 117 HD13 LEU 18 3HD1 LEU 18 -5.772 2.907 -4.216 118 HD21 LEU 18 3HD2 LEU 18 -3.324 0.689 -3.934 119 HD22 LEU 18 1HD2 LEU 18 -1.971 1.670 -3.388 120 HD23 LEU 18 2HD2 LEU 18 -2.248 1.434 -5.108 121 H ASP 19 H ASP 19 -1.794 7.107 -4.500 122 HA ASP 19 HA ASP 19 -0.352 7.194 -6.992 123 HB2 ASP 19 1HB ASP 19 -1.132 9.390 -5.063 124 HB3 ASP 19 2HB ASP 19 -0.473 9.645 -6.679 125 H ASN 20 H ASN 20 0.418 7.572 -3.585 126 HA ASN 20 HA ASN 20 3.217 8.189 -4.304 127 HB2 ASN 20 1HB ASN 20 1.772 8.574 -1.678 128 HB3 ASN 20 2HB ASN 20 3.449 8.981 -1.984 129 HD21 ASN 20 1HD2 ASN 20 0.814 11.759 -2.655 130 HD22 ASN 20 2HD2 ASN 20 0.743 10.534 -1.491 131 H PHE 21 H PHE 21 1.183 5.715 -3.223 132 HA PHE 21 HA PHE 21 3.501 4.173 -2.241 133 HB2 PHE 21 2HB PHE 21 0.659 4.091 -1.228 134 HB3 PHE 21 1HB PHE 21 1.903 2.927 -0.788 135 HD1 PHE 21 1HD PHE 21 1.293 6.609 -0.896 136 HD2 PHE 21 2HD PHE 21 3.293 3.362 1.059 137 HE1 PHE 21 1HE PHE 21 2.064 8.160 0.872 138 HE2 PHE 21 2HE PHE 21 4.082 4.915 2.821 139 HZ PHE 21 HZ PHE 21 3.468 7.312 2.733 140 H TYR 22 H TYR 22 3.382 1.872 -2.585 141 HA TYR 22 HA TYR 22 1.525 1.023 -4.703 142 HB2 TYR 22 2HB TYR 22 3.335 0.042 -5.987 143 HB3 TYR 22 1HB TYR 22 3.661 1.759 -5.756 144 HD1 TYR 22 1HD TYR 22 4.511 -1.651 -4.533 145 HD2 TYR 22 2HD TYR 22 5.543 2.515 -4.564 146 HE1 TYR 22 1HE TYR 22 6.701 -2.182 -3.652 147 HE2 TYR 22 2HE TYR 22 7.734 1.966 -3.624 148 HH TYR 22 HH TYR 22 8.996 0.344 -2.683 149 H CYS 23 H CYS 23 1.586 -1.352 -5.037 150 HA CYS 23 HA CYS 23 1.923 -2.696 -2.456 151 HB2 CYS 23 2HB CYS 23 -0.096 -2.805 -4.456 152 HB3 CYS 23 1HB CYS 23 0.641 -4.405 -4.308 153 HA PRO 24 HA PRO 24 5.752 -4.360 -4.365 154 HB2 PRO 24 2HB PRO 24 5.500 -6.097 -1.943 155 HB3 PRO 24 1HB PRO 24 6.908 -5.218 -2.554 156 HG2 PRO 24 2HG PRO 24 5.581 -4.324 -0.474 157 HG3 PRO 24 1HG PRO 24 6.213 -3.222 -1.687 158 HD2 PRO 24 2HD PRO 24 3.399 -4.096 -1.230 159 HD3 PRO 24 1HD PRO 24 4.029 -2.536 -1.779 160 H MET 25 H MET 25 6.231 -6.214 -5.520 161 HA MET 25 HA MET 25 4.007 -8.027 -6.008 162 HB2 MET 25 1HB MET 25 5.564 -7.006 -7.793 163 HB3 MET 25 2HB MET 25 6.735 -8.220 -7.273 164 HG2 MET 25 1HG MET 25 5.510 -9.171 -9.112 165 HG3 MET 25 2HG MET 25 4.940 -9.968 -7.648 166 HE1 MET 25 3HE MET 25 1.821 -9.813 -9.911 167 HE2 MET 25 1HE MET 25 2.508 -10.758 -8.583 168 HE3 MET 25 2HE MET 25 3.485 -10.385 -10.002 169 H GLU 26 H GLU 26 4.299 -8.772 -3.655 170 HA GLU 26 HA GLU 26 6.006 -11.165 -3.680 171 HB2 GLU 26 1HB GLU 26 5.705 -9.225 -1.374 172 HB3 GLU 26 2HB GLU 26 6.528 -10.785 -1.292 173 HG2 GLU 26 1HG GLU 26 8.098 -10.049 -3.049 174 HG3 GLU 26 2HG GLU 26 7.285 -8.487 -3.119 175 H PHE 27 H PHE 27 5.355 -12.443 -1.541 176 HA PHE 27 HA PHE 27 2.760 -13.428 -1.959 177 HB2 PHE 27 2HB PHE 27 4.551 -14.750 -0.892 178 HB3 PHE 27 1HB PHE 27 4.476 -13.697 0.520 179 HD1 PHE 27 1HD PHE 27 2.318 -15.866 -1.628 180 HD2 PHE 27 2HD PHE 27 2.986 -14.194 2.272 181 HE1 PHE 27 1HE PHE 27 0.447 -17.221 -0.730 182 HE2 PHE 27 2HE PHE 27 1.110 -15.550 3.171 183 HZ PHE 27 HZ PHE 27 -0.157 -17.063 1.670 184 H ILE 28 H ILE 28 4.031 -11.212 0.507 185 HA ILE 28 HA ILE 28 1.249 -10.410 1.117 186 HB ILE 28 HB ILE 28 2.242 -9.865 3.435 187 HG12 ILE 28 1HG1 ILE 28 4.207 -11.996 2.539 188 HG13 ILE 28 2HG1 ILE 28 4.610 -10.283 2.633 189 HG21 ILE 28 1HG2 ILE 28 0.697 -11.549 3.586 190 HG22 ILE 28 2HG2 ILE 28 2.129 -12.537 3.866 191 HG23 ILE 28 3HG2 ILE 28 1.410 -12.461 2.259 192 HD11 ILE 28 3HD1 ILE 28 4.997 -10.476 4.840 193 HD12 ILE 28 1HD1 ILE 28 4.645 -12.199 4.736 194 HD13 ILE 28 2HD1 ILE 28 3.353 -11.057 5.096 195 HA PRO 29 HA PRO 29 3.653 -6.748 -0.511 196 HB2 PRO 29 2HB PRO 29 0.851 -6.009 -1.180 197 HB3 PRO 29 1HB PRO 29 2.306 -5.919 -2.187 198 HG2 PRO 29 2HG PRO 29 0.458 -7.784 -2.585 199 HG3 PRO 29 1HG PRO 29 2.182 -8.160 -2.767 200 HD2 PRO 29 2HD PRO 29 0.327 -8.864 -0.522 201 HD3 PRO 29 1HD PRO 29 1.666 -9.800 -1.218 202 H HIS 30 H HIS 30 3.761 -4.670 0.361 203 HA HIS 30 HA HIS 30 1.673 -3.898 2.283 204 HB2 HIS 30 1HB HIS 30 4.636 -3.913 2.898 205 HB3 HIS 30 2HB HIS 30 3.390 -3.179 3.898 206 HD1 HIS 30 HD1 HIS 30 4.997 -6.406 3.216 207 HD2 HIS 30 HD2 HIS 30 1.402 -5.093 4.865 208 HE1 HIS 30 HE1 HIS 30 4.025 -8.379 4.474 209 H CYS 31 H CYS 31 1.194 -1.749 2.267 210 HA CYS 31 HA CYS 31 1.714 -0.118 0.141 211 HB2 CYS 31 2HB CYS 31 1.160 0.543 3.023 212 HB3 CYS 31 1HB CYS 31 1.349 1.812 1.822 213 H LYS 32 H LYS 32 3.538 0.641 -0.695 214 HA LYS 32 HA LYS 32 5.685 1.515 1.126 215 HB2 LYS 32 1HB LYS 32 6.254 -0.729 0.278 216 HB3 LYS 32 2HB LYS 32 6.035 -0.161 -1.364 217 HG2 LYS 32 1HG LYS 32 8.424 -0.181 -0.737 218 HG3 LYS 32 2HG LYS 32 7.876 1.448 -1.089 219 HD2 LYS 32 1HD LYS 32 7.913 2.098 1.157 220 HD3 LYS 32 2HD LYS 32 7.771 0.441 1.744 221 HE2 LYS 32 1HE LYS 32 10.048 1.326 2.105 222 HE3 LYS 32 2HE LYS 32 10.068 -0.026 0.973 223 HZ1 LYS 32 3HZ LYS 32 9.742 1.958 -0.725 224 HZ2 LYS 32 1HZ LYS 32 11.279 1.448 -0.217 225 HZ3 LYS 32 2HZ LYS 32 10.559 2.810 0.498 226 H LYS 33 H LYS 33 6.662 3.389 0.558 227 HA LYS 33 HA LYS 33 5.509 4.979 -1.498 228 HB2 LYS 33 1HB LYS 33 7.371 5.345 0.690 229 HB3 LYS 33 2HB LYS 33 7.907 6.195 -0.761 230 HG2 LYS 33 1HG LYS 33 5.877 7.434 -0.913 231 HG3 LYS 33 2HG LYS 33 5.064 6.389 0.252 232 HD2 LYS 33 1HD LYS 33 6.373 7.225 2.064 233 HD3 LYS 33 2HD LYS 33 7.479 8.053 0.972 234 HE2 LYS 33 1HE LYS 33 5.747 9.600 0.289 235 HE3 LYS 33 2HE LYS 33 4.529 8.704 1.196 236 HZ1 LYS 33 3HZ LYS 33 5.150 10.507 2.548 237 HZ2 LYS 33 1HZ LYS 33 6.805 10.282 2.251 238 HZ3 LYS 33 2HZ LYS 33 5.956 9.164 3.209 239 H TYR 34 H TYR 34 6.138 5.401 -3.532 240 HA TYR 34 HA TYR 34 7.686 3.645 -5.005 241 HB2 TYR 34 2HB TYR 34 7.175 6.553 -5.506 242 HB3 TYR 34 1HB TYR 34 7.868 5.458 -6.693 243 HD1 TYR 34 1HD TYR 34 4.835 6.413 -4.859 244 HD2 TYR 34 2HD TYR 34 6.543 3.608 -7.625 245 HE1 TYR 34 1HE TYR 34 2.572 5.629 -5.457 246 HE2 TYR 34 2HE TYR 34 4.270 2.824 -8.230 247 HH TYR 34 HH TYR 34 2.036 3.410 -8.121 248 H LYS 35 H LYS 35 8.936 6.860 -5.131 249 HA LYS 35 HA LYS 35 11.557 5.904 -4.151 250 HB2 LYS 35 1HB LYS 35 10.962 7.706 -6.500 251 HB3 LYS 35 2HB LYS 35 12.571 7.355 -5.875 252 HG2 LYS 35 1HG LYS 35 12.563 5.187 -6.645 253 HG3 LYS 35 2HG LYS 35 10.819 5.023 -6.484 254 HD2 LYS 35 1HD LYS 35 11.444 5.066 -8.849 255 HD3 LYS 35 2HD LYS 35 10.503 6.504 -8.439 256 HE2 LYS 35 1HE LYS 35 12.551 7.826 -8.255 257 HE3 LYS 35 2HE LYS 35 13.536 6.393 -8.544 258 HZ1 LYS 35 3HZ LYS 35 13.308 6.691 -10.709 259 HZ2 LYS 35 1HZ LYS 35 12.426 8.112 -10.428 260 HZ3 LYS 35 2HZ LYS 35 11.615 6.627 -10.581 261 HA PRO 36 HA PRO 36 10.398 9.762 -1.865 262 HB2 PRO 36 2HB PRO 36 10.964 8.878 0.630 263 HB3 PRO 36 1HB PRO 36 9.421 8.553 -0.177 264 HG2 PRO 36 2HG PRO 36 11.758 6.768 0.221 265 HG3 PRO 36 1HG PRO 36 10.030 6.391 0.259 266 HD2 PRO 36 2HD PRO 36 11.708 5.898 -1.893 267 HD3 PRO 36 1HD PRO 36 9.939 6.032 -2.007 268 H TYR 37 H TYR 37 11.786 11.385 -1.329 269 HA TYR 37 HA TYR 37 13.759 12.520 -0.995 270 HB2 TYR 37 2HB TYR 37 15.112 10.055 0.002 271 HB3 TYR 37 1HB TYR 37 15.155 11.696 0.644 272 HD1 TYR 37 1HD TYR 37 14.461 8.823 1.926 273 HD2 TYR 37 2HD TYR 37 12.171 12.245 0.691 274 HE1 TYR 37 1HE TYR 37 12.666 8.206 3.521 275 HE2 TYR 37 2HE TYR 37 10.383 11.621 2.273 276 HH TYR 37 HH TYR 37 10.056 10.342 4.265 277 H VAL 38 H VAL 38 13.379 11.697 -3.551 278 HA VAL 38 HA VAL 38 15.474 10.099 -4.575 279 HB VAL 38 HB VAL 38 14.812 11.162 -6.789 280 HG11 VAL 38 1HG1 VAL 38 12.228 10.320 -6.068 281 HG12 VAL 38 2HG1 VAL 38 13.318 9.432 -5.003 282 HG13 VAL 38 3HG1 VAL 38 13.515 9.323 -6.748 283 HG21 VAL 38 3HG2 VAL 38 12.323 12.221 -5.754 284 HG22 VAL 38 1HG2 VAL 38 13.512 13.006 -6.794 285 HG23 VAL 38 2HG2 VAL 38 13.692 13.077 -5.042 286 HA PRO 39 HA PRO 39 19.052 12.726 -4.673 287 HB2 PRO 39 2HB PRO 39 19.134 12.224 -7.624 288 HB3 PRO 39 1HB PRO 39 20.422 12.054 -6.415 289 HG2 PRO 39 2HG PRO 39 19.167 9.937 -7.417 290 HG3 PRO 39 1HG PRO 39 19.688 9.996 -5.725 291 HD2 PRO 39 2HD PRO 39 16.938 10.187 -6.850 292 HD3 PRO 39 1HD PRO 39 17.493 9.603 -5.265 293 H VAL 40 H VAL 40 19.406 14.894 -4.937 294 HA VAL 40 HA VAL 40 18.875 17.092 -5.388 295 HB VAL 40 HB VAL 40 18.532 15.973 -8.180 296 HG11 VAL 40 1HG1 VAL 40 18.160 18.115 -8.761 297 HG12 VAL 40 2HG1 VAL 40 19.740 18.546 -8.105 298 HG13 VAL 40 3HG1 VAL 40 18.310 18.617 -7.077 299 HG21 VAL 40 3HG2 VAL 40 20.982 16.762 -8.321 300 HG22 VAL 40 1HG2 VAL 40 20.677 15.267 -7.437 301 HG23 VAL 40 2HG2 VAL 40 20.955 16.771 -6.558 302 H THR 41 H THR 41 16.929 17.141 -4.175 303 HA THR 41 HA THR 41 14.399 16.365 -5.098 304 HB THR 41 HB THR 41 14.838 16.956 -2.756 305 HG1 THR 41 1HG THR 41 12.892 18.326 -4.235 306 HG21 THR 41 3HG2 THR 41 15.366 19.136 -2.045 307 HG22 THR 41 1HG2 THR 41 14.853 19.856 -3.571 308 HG23 THR 41 2HG2 THR 41 16.353 18.931 -3.492 309 H THR 42 H THR 42 12.748 17.446 -6.153 310 HA THR 42 HA THR 42 13.504 19.267 -8.188 311 HB THR 42 HB THR 42 11.264 19.183 -8.886 312 HG1 THR 42 1HG THR 42 9.639 19.210 -7.530 313 HG21 THR 42 3HG2 THR 42 12.503 16.918 -8.593 314 HG22 THR 42 1HG2 THR 42 10.767 16.886 -8.902 315 HG23 THR 42 2HG2 THR 42 11.377 16.649 -7.265 Start of MODEL 17 1 HA ASP 1 HA ASP 1 -10.776 3.063 5.465 2 HB2 ASP 1 1HB ASP 1 -10.737 0.611 5.698 3 HB3 ASP 1 2HB ASP 1 -12.368 1.238 5.933 4 H CYS 2 H CYS 2 -8.635 2.412 5.068 5 HA CYS 2 HA CYS 2 -7.882 1.384 2.462 6 HB2 CYS 2 2HB CYS 2 -6.439 3.292 1.901 7 HB3 CYS 2 1HB CYS 2 -8.131 3.781 1.985 8 H ALA 3 H ALA 3 -5.485 1.106 2.303 9 HA ALA 3 HA ALA 3 -4.432 0.344 4.940 10 HB1 ALA 3 3HB ALA 3 -2.690 -0.506 2.881 11 HB2 ALA 3 1HB ALA 3 -4.331 -0.810 2.310 12 HB3 ALA 3 2HB ALA 3 -3.788 -1.497 3.840 13 H LYS 4 H LYS 4 -2.730 1.320 5.840 14 HA LYS 4 HA LYS 4 -1.545 3.611 4.453 15 HB2 LYS 4 1HB LYS 4 -1.338 2.715 7.338 16 HB3 LYS 4 2HB LYS 4 -0.641 4.193 6.677 17 HG2 LYS 4 1HG LYS 4 -2.902 4.949 6.005 18 HG3 LYS 4 2HG LYS 4 -3.589 3.489 6.720 19 HD2 LYS 4 1HD LYS 4 -2.618 4.137 8.917 20 HD3 LYS 4 2HD LYS 4 -2.026 5.632 8.191 21 HE2 LYS 4 1HE LYS 4 -4.936 4.785 8.316 22 HE3 LYS 4 2HE LYS 4 -4.178 5.986 9.362 23 HZ1 LYS 4 3HZ LYS 4 -5.073 7.277 7.703 24 HZ2 LYS 4 1HZ LYS 4 -4.763 6.139 6.484 25 HZ3 LYS 4 2HZ LYS 4 -3.487 7.056 7.131 26 H GLU 5 H GLU 5 0.892 3.807 5.704 27 HA GLU 5 HA GLU 5 2.508 2.116 4.139 28 HB2 GLU 5 1HB GLU 5 3.239 4.327 4.929 29 HB3 GLU 5 2HB GLU 5 3.285 3.710 6.584 30 HG2 GLU 5 1HG GLU 5 4.999 2.086 5.974 31 HG3 GLU 5 2HG GLU 5 4.894 2.566 4.280 32 H GLY 6 H GLY 6 3.204 0.125 4.397 33 HA2 GLY 6 1HA GLY 6 4.043 -1.740 5.539 34 HA3 GLY 6 2HA GLY 6 3.600 -0.991 7.060 35 H GLU 7 H GLU 7 0.901 -0.565 5.340 36 HA GLU 7 HA GLU 7 -0.391 -2.878 6.546 37 HB2 GLU 7 1HB GLU 7 -1.567 -0.570 4.979 38 HB3 GLU 7 2HB GLU 7 -2.482 -1.786 5.872 39 HG2 GLU 7 1HG GLU 7 -0.429 0.070 7.111 40 HG3 GLU 7 2HG GLU 7 -2.171 0.324 7.172 41 H VAL 8 H VAL 8 -1.536 -4.447 5.441 42 HA VAL 8 HA VAL 8 -0.453 -5.349 3.019 43 HB VAL 8 HB VAL 8 -3.034 -6.084 4.398 44 HG11 VAL 8 1HG1 VAL 8 -3.457 -6.910 2.283 45 HG12 VAL 8 2HG1 VAL 8 -2.486 -8.239 2.919 46 HG13 VAL 8 3HG1 VAL 8 -1.746 -7.028 1.871 47 HG21 VAL 8 3HG2 VAL 8 -1.803 -7.857 5.362 48 HG22 VAL 8 1HG2 VAL 8 -0.707 -6.480 5.475 49 HG23 VAL 8 2HG2 VAL 8 -0.481 -7.685 4.207 50 H CYS 9 H CYS 9 -1.108 -5.258 0.899 51 HA CYS 9 HA CYS 9 -3.537 -3.688 0.292 52 HB2 CYS 9 2HB CYS 9 -2.295 -2.490 -1.476 53 HB3 CYS 9 1HB CYS 9 -1.646 -2.147 0.129 54 H SER 10 H SER 10 -4.159 -3.921 -2.027 55 HA SER 10 HA SER 10 -4.777 -5.209 -3.813 56 HB2 SER 10 1HB SER 10 -2.062 -6.438 -3.348 57 HB3 SER 10 2HB SER 10 -3.124 -6.900 -4.669 58 HG SER 10 HG SER 10 -3.119 -4.337 -4.770 59 H TRP 11 H TRP 11 -3.723 -6.835 -0.904 60 HA TRP 11 HA TRP 11 -4.969 -9.340 -1.522 61 HB2 TRP 11 2HB TRP 11 -3.192 -8.374 0.430 62 HB3 TRP 11 1HB TRP 11 -4.622 -8.871 1.319 63 HD1 TRP 11 1HD TRP 11 -1.560 -10.232 -0.169 64 HE1 TRP 11 1HE TRP 11 -1.681 -12.805 -0.303 65 HE3 TRP 11 3HE TRP 11 -6.528 -10.916 0.729 66 HZ2 TRP 11 2HZ TRP 11 -3.639 -14.883 -0.057 67 HZ3 TRP 11 3HZ TRP 11 -7.503 -13.198 0.778 68 HH2 TRP 11 2HH TRP 11 -6.065 -15.181 0.385 69 H GLY 12 H GLY 12 -6.762 -7.387 -2.106 70 HA2 GLY 12 1HA GLY 12 -9.109 -7.331 -1.837 71 HA3 GLY 12 2HA GLY 12 -8.922 -7.992 -0.216 72 H LYS 13 H LYS 13 -6.645 -5.644 -0.466 73 HA LYS 13 HA LYS 13 -8.471 -3.507 0.463 74 HB2 LYS 13 1HB LYS 13 -5.786 -4.275 1.628 75 HB3 LYS 13 2HB LYS 13 -6.724 -2.855 2.093 76 HG2 LYS 13 1HG LYS 13 -8.594 -4.308 2.784 77 HG3 LYS 13 2HG LYS 13 -7.658 -5.732 2.324 78 HD2 LYS 13 1HD LYS 13 -5.923 -5.122 3.977 79 HD3 LYS 13 2HD LYS 13 -6.871 -3.710 4.446 80 HE2 LYS 13 1HE LYS 13 -8.729 -5.180 5.137 81 HE3 LYS 13 2HE LYS 13 -7.787 -6.595 4.663 82 HZ1 LYS 13 3HZ LYS 13 -7.149 -6.531 6.802 83 HZ2 LYS 13 1HZ LYS 13 -7.522 -4.887 6.992 84 HZ3 LYS 13 2HZ LYS 13 -6.060 -5.346 6.258 85 H LYS 14 H LYS 14 -7.922 -1.408 -0.109 86 HA LYS 14 HA LYS 14 -5.801 -1.152 -2.157 87 HB2 LYS 14 1HB LYS 14 -8.170 0.669 -1.698 88 HB3 LYS 14 2HB LYS 14 -7.097 0.635 -3.091 89 HG2 LYS 14 1HG LYS 14 -8.919 -1.649 -2.281 90 HG3 LYS 14 2HG LYS 14 -9.301 -0.465 -3.525 91 HD2 LYS 14 1HD LYS 14 -7.165 -1.154 -4.705 92 HD3 LYS 14 2HD LYS 14 -7.033 -2.475 -3.543 93 HE2 LYS 14 1HE LYS 14 -9.252 -3.305 -4.221 94 HE3 LYS 14 2HE LYS 14 -9.380 -1.997 -5.396 95 HZ1 LYS 14 3HZ LYS 14 -8.495 -3.540 -6.751 96 HZ2 LYS 14 1HZ LYS 14 -7.791 -4.427 -5.488 97 HZ3 LYS 14 2HZ LYS 14 -7.026 -3.025 -6.070 98 H CYS 15 H CYS 15 -4.279 0.295 -1.970 99 HA CYS 15 HA CYS 15 -3.650 1.344 0.578 100 HB2 CYS 15 2HB CYS 15 -2.510 1.415 -2.149 101 HB3 CYS 15 1HB CYS 15 -2.034 2.703 -1.063 102 H CYS 16 H CYS 16 -3.666 3.450 1.335 103 HA CYS 16 HA CYS 16 -5.846 5.073 0.512 104 HB2 CYS 16 2HB CYS 16 -4.204 4.859 2.754 105 HB3 CYS 16 1HB CYS 16 -3.873 6.469 2.115 106 H ASP 17 H ASP 17 -2.367 5.797 0.541 107 HA ASP 17 HA ASP 17 -2.811 7.867 -1.492 108 HB2 ASP 17 1HB ASP 17 -0.475 7.222 0.310 109 HB3 ASP 17 2HB ASP 17 -0.378 8.405 -0.994 110 H LEU 18 H LEU 18 -3.273 5.936 -2.962 111 HA LEU 18 HA LEU 18 -1.216 4.213 -3.822 112 HB2 LEU 18 1HB LEU 18 -3.784 5.192 -5.039 113 HB3 LEU 18 2HB LEU 18 -2.681 4.187 -5.976 114 HG LEU 18 HG LEU 18 -3.446 3.324 -3.196 115 HD11 LEU 18 1HD1 LEU 18 -5.386 2.109 -4.119 116 HD12 LEU 18 2HD1 LEU 18 -5.100 2.845 -5.698 117 HD13 LEU 18 3HD1 LEU 18 -5.584 3.849 -4.330 118 HD21 LEU 18 3HD2 LEU 18 -1.736 2.015 -4.327 119 HD22 LEU 18 1HD2 LEU 18 -2.720 1.906 -5.786 120 HD23 LEU 18 2HD2 LEU 18 -3.222 1.070 -4.322 121 H ASP 19 H ASP 19 -1.696 7.559 -4.302 122 HA ASP 19 HA ASP 19 -0.349 7.805 -6.827 123 HB2 ASP 19 1HB ASP 19 -1.054 9.789 -4.661 124 HB3 ASP 19 2HB ASP 19 -0.240 10.246 -6.157 125 H ASN 20 H ASN 20 0.613 8.075 -3.423 126 HA ASN 20 HA ASN 20 3.409 8.466 -4.290 127 HB2 ASN 20 1HB ASN 20 2.149 8.925 -1.580 128 HB3 ASN 20 2HB ASN 20 3.831 9.215 -1.987 129 HD21 ASN 20 1HD2 ASN 20 1.261 12.129 -2.582 130 HD22 ASN 20 2HD2 ASN 20 1.072 10.859 -1.478 131 H PHE 21 H PHE 21 1.295 6.096 -3.269 132 HA PHE 21 HA PHE 21 3.533 4.402 -2.362 133 HB2 PHE 21 2HB PHE 21 0.719 4.432 -1.263 134 HB3 PHE 21 1HB PHE 21 1.929 3.213 -0.885 135 HD1 PHE 21 1HD PHE 21 1.523 6.940 -0.918 136 HD2 PHE 21 2HD PHE 21 3.306 3.529 0.988 137 HE1 PHE 21 1HE PHE 21 2.404 8.406 0.873 138 HE2 PHE 21 2HE PHE 21 4.198 4.997 2.771 139 HZ PHE 21 HZ PHE 21 3.747 7.437 2.717 140 H TYR 22 H TYR 22 3.360 2.177 -2.849 141 HA TYR 22 HA TYR 22 1.377 1.490 -4.929 142 HB2 TYR 22 2HB TYR 22 3.100 0.311 -6.183 143 HB3 TYR 22 1HB TYR 22 3.560 2.000 -5.992 144 HD1 TYR 22 1HD TYR 22 4.177 -1.458 -4.739 145 HD2 TYR 22 2HD TYR 22 5.482 2.633 -4.789 146 HE1 TYR 22 1HE TYR 22 6.339 -2.137 -3.865 147 HE2 TYR 22 2HE TYR 22 7.642 1.940 -3.870 148 HH TYR 22 HH TYR 22 8.892 -0.887 -4.014 149 H CYS 23 H CYS 23 1.344 -0.934 -5.301 150 HA CYS 23 HA CYS 23 1.427 -2.233 -2.689 151 HB2 CYS 23 2HB CYS 23 -0.737 -2.096 -4.004 152 HB3 CYS 23 1HB CYS 23 -0.003 -3.235 -5.131 153 HA PRO 24 HA PRO 24 5.124 -4.176 -4.548 154 HB2 PRO 24 2HB PRO 24 5.090 -5.756 -2.042 155 HB3 PRO 24 1HB PRO 24 6.396 -4.790 -2.747 156 HG2 PRO 24 2HG PRO 24 5.033 -3.995 -0.598 157 HG3 PRO 24 1HG PRO 24 5.657 -2.854 -1.789 158 HD2 PRO 24 2HD PRO 24 2.863 -3.780 -1.340 159 HD3 PRO 24 1HD PRO 24 3.471 -2.211 -1.897 160 H MET 25 H MET 25 5.871 -6.662 -4.329 161 HA MET 25 HA MET 25 3.551 -8.431 -4.681 162 HB2 MET 25 1HB MET 25 4.138 -7.593 -6.927 163 HB3 MET 25 2HB MET 25 5.784 -8.188 -6.706 164 HG2 MET 25 1HG MET 25 4.994 -10.474 -6.516 165 HG3 MET 25 2HG MET 25 3.316 -9.937 -6.543 166 HE1 MET 25 3HE MET 25 6.438 -8.697 -8.906 167 HE2 MET 25 1HE MET 25 6.359 -10.143 -9.920 168 HE3 MET 25 2HE MET 25 6.602 -10.295 -8.184 169 H GLU 26 H GLU 26 4.078 -9.570 -2.814 170 HA GLU 26 HA GLU 26 6.151 -11.550 -3.097 171 HB2 GLU 26 1HB GLU 26 7.368 -9.485 -2.227 172 HB3 GLU 26 2HB GLU 26 6.430 -9.675 -0.745 173 HG2 GLU 26 1HG GLU 26 7.329 -11.945 -0.447 174 HG3 GLU 26 2HG GLU 26 8.226 -11.800 -1.955 175 H PHE 27 H PHE 27 3.618 -12.149 -2.963 176 HA PHE 27 HA PHE 27 2.116 -13.496 -1.874 177 HB2 PHE 27 2HB PHE 27 4.361 -14.433 -0.961 178 HB3 PHE 27 1HB PHE 27 3.927 -13.574 0.513 179 HD1 PHE 27 1HD PHE 27 2.643 -16.057 -1.960 180 HD2 PHE 27 2HD PHE 27 2.359 -14.489 2.029 181 HE1 PHE 27 1HE PHE 27 1.096 -17.895 -1.348 182 HE2 PHE 27 2HE PHE 27 0.811 -16.329 2.642 183 HZ PHE 27 HZ PHE 27 0.178 -18.031 0.952 184 H ILE 28 H ILE 28 3.639 -11.092 0.263 185 HA ILE 28 HA ILE 28 0.952 -10.272 1.134 186 HB ILE 28 HB ILE 28 2.053 -9.846 3.412 187 HG12 ILE 28 1HG1 ILE 28 3.971 -11.952 2.376 188 HG13 ILE 28 2HG1 ILE 28 4.386 -10.243 2.489 189 HG21 ILE 28 1HG2 ILE 28 1.999 -12.564 3.709 190 HG22 ILE 28 2HG2 ILE 28 1.111 -12.371 2.200 191 HG23 ILE 28 3HG2 ILE 28 0.559 -11.549 3.658 192 HD11 ILE 28 3HD1 ILE 28 4.857 -10.477 4.676 193 HD12 ILE 28 1HD1 ILE 28 4.514 -12.200 4.546 194 HD13 ILE 28 2HD1 ILE 28 3.228 -11.078 4.984 195 HA PRO 29 HA PRO 29 3.546 -6.716 -0.507 196 HB2 PRO 29 2HB PRO 29 0.783 -5.970 -1.305 197 HB3 PRO 29 1HB PRO 29 2.287 -5.859 -2.234 198 HG2 PRO 29 2HG PRO 29 0.495 -7.722 -2.766 199 HG3 PRO 29 1HG PRO 29 2.225 -8.124 -2.787 200 HD2 PRO 29 2HD PRO 29 0.168 -8.721 -0.677 201 HD3 PRO 29 1HD PRO 29 1.502 -9.740 -1.269 202 H HIS 30 H HIS 30 3.740 -4.727 0.471 203 HA HIS 30 HA HIS 30 1.551 -3.856 2.240 204 HB2 HIS 30 1HB HIS 30 4.485 -3.833 2.994 205 HB3 HIS 30 2HB HIS 30 3.173 -3.135 3.936 206 HD1 HIS 30 HD1 HIS 30 4.727 -6.405 3.016 207 HD2 HIS 30 HD2 HIS 30 1.419 -5.050 5.163 208 HE1 HIS 30 HE1 HIS 30 3.856 -8.390 4.325 209 H CYS 31 H CYS 31 1.055 -1.739 2.082 210 HA CYS 31 HA CYS 31 1.681 -0.191 -0.060 211 HB2 CYS 31 2HB CYS 31 0.307 0.257 2.311 212 HB3 CYS 31 1HB CYS 31 1.577 1.454 2.327 213 H LYS 32 H LYS 32 3.448 0.733 -0.838 214 HA LYS 32 HA LYS 32 5.592 1.505 1.012 215 HB2 LYS 32 1HB LYS 32 6.157 -0.713 0.107 216 HB3 LYS 32 2HB LYS 32 5.953 -0.100 -1.520 217 HG2 LYS 32 1HG LYS 32 8.328 -0.143 -0.973 218 HG3 LYS 32 2HG LYS 32 7.809 1.526 -1.127 219 HD2 LYS 32 1HD LYS 32 7.737 1.825 1.264 220 HD3 LYS 32 2HD LYS 32 7.946 0.096 1.544 221 HE2 LYS 32 1HE LYS 32 10.205 0.231 0.545 222 HE3 LYS 32 2HE LYS 32 9.974 1.957 0.270 223 HZ1 LYS 32 3HZ LYS 32 11.218 1.421 2.331 224 HZ2 LYS 32 1HZ LYS 32 9.825 0.672 2.943 225 HZ3 LYS 32 2HZ LYS 32 9.814 2.337 2.603 226 H LYS 33 H LYS 33 6.767 3.309 0.408 227 HA LYS 33 HA LYS 33 5.588 5.021 -1.557 228 HB2 LYS 33 1HB LYS 33 8.117 5.283 0.066 229 HB3 LYS 33 2HB LYS 33 7.489 6.539 -0.997 230 HG2 LYS 33 1HG LYS 33 5.317 6.390 0.297 231 HG3 LYS 33 2HG LYS 33 6.166 5.372 1.460 232 HD2 LYS 33 1HD LYS 33 6.466 7.464 2.429 233 HD3 LYS 33 2HD LYS 33 7.913 7.364 1.424 234 HE2 LYS 33 1HE LYS 33 6.773 8.621 -0.366 235 HE3 LYS 33 2HE LYS 33 5.309 8.701 0.615 236 HZ1 LYS 33 3HZ LYS 33 7.653 9.606 2.001 237 HZ2 LYS 33 1HZ LYS 33 6.141 10.354 1.828 238 HZ3 LYS 33 2HZ LYS 33 7.316 10.524 0.612 239 H TYR 34 H TYR 34 6.294 5.584 -3.552 240 HA TYR 34 HA TYR 34 7.693 3.755 -5.135 241 HB2 TYR 34 2HB TYR 34 7.226 6.688 -5.478 242 HB3 TYR 34 1HB TYR 34 7.908 5.670 -6.743 243 HD1 TYR 34 1HD TYR 34 4.918 6.581 -4.861 244 HD2 TYR 34 2HD TYR 34 6.544 3.857 -7.747 245 HE1 TYR 34 1HE TYR 34 2.629 5.880 -5.479 246 HE2 TYR 34 2HE TYR 34 4.251 3.156 -8.378 247 HH TYR 34 HH TYR 34 2.013 3.862 -8.255 248 H LYS 35 H LYS 35 9.234 6.551 -5.913 249 HA LYS 35 HA LYS 35 11.603 6.019 -4.255 250 HB2 LYS 35 1HB LYS 35 13.008 6.253 -6.356 251 HB3 LYS 35 2HB LYS 35 12.101 4.750 -6.204 252 HG2 LYS 35 1HG LYS 35 10.731 7.017 -7.571 253 HG3 LYS 35 2HG LYS 35 12.046 6.235 -8.447 254 HD2 LYS 35 1HD LYS 35 9.965 4.519 -7.126 255 HD3 LYS 35 2HD LYS 35 9.577 5.308 -8.654 256 HE2 LYS 35 1HE LYS 35 11.550 4.287 -9.704 257 HE3 LYS 35 2HE LYS 35 11.988 3.527 -8.174 258 HZ1 LYS 35 3HZ LYS 35 9.505 2.680 -8.389 259 HZ2 LYS 35 1HZ LYS 35 10.811 1.840 -9.073 260 HZ3 LYS 35 2HZ LYS 35 9.855 2.857 -10.043 261 HA PRO 36 HA PRO 36 10.626 10.552 -5.063 262 HB2 PRO 36 2HB PRO 36 10.076 11.266 -2.487 263 HB3 PRO 36 1HB PRO 36 8.839 10.654 -3.604 264 HG2 PRO 36 2HG PRO 36 10.308 9.226 -1.440 265 HG3 PRO 36 1HG PRO 36 8.601 9.124 -1.904 266 HD2 PRO 36 2HD PRO 36 10.453 7.251 -2.645 267 HD3 PRO 36 1HD PRO 36 9.013 7.625 -3.617 268 H TYR 37 H TYR 37 12.105 12.203 -4.743 269 HA TYR 37 HA TYR 37 14.497 11.513 -3.146 270 HB2 TYR 37 2HB TYR 37 14.252 13.276 -5.592 271 HB3 TYR 37 1HB TYR 37 15.744 12.948 -4.709 272 HD1 TYR 37 1HD TYR 37 13.100 11.473 -6.831 273 HD2 TYR 37 2HD TYR 37 16.878 10.815 -4.895 274 HE1 TYR 37 1HE TYR 37 13.403 9.388 -8.135 275 HE2 TYR 37 2HE TYR 37 17.181 8.727 -6.200 276 HH TYR 37 HH TYR 37 15.053 7.880 -8.831 277 H VAL 38 H VAL 38 11.813 13.406 -3.083 278 HA VAL 38 HA VAL 38 13.167 15.453 -1.435 279 HB VAL 38 HB VAL 38 11.575 17.126 -2.275 280 HG11 VAL 38 1HG1 VAL 38 13.129 15.642 -4.417 281 HG12 VAL 38 2HG1 VAL 38 13.739 16.940 -3.390 282 HG13 VAL 38 3HG1 VAL 38 12.494 17.279 -4.592 283 HG21 VAL 38 3HG2 VAL 38 10.646 15.883 -4.643 284 HG22 VAL 38 1HG2 VAL 38 9.681 16.405 -3.263 285 HG23 VAL 38 2HG2 VAL 38 10.300 14.757 -3.329 286 HA PRO 39 HA PRO 39 9.582 13.368 0.743 287 HB2 PRO 39 2HB PRO 39 10.976 12.356 2.851 288 HB3 PRO 39 1HB PRO 39 10.789 11.486 1.316 289 HG2 PRO 39 2HG PRO 39 13.105 13.060 2.329 290 HG3 PRO 39 1HG PRO 39 13.080 11.530 1.437 291 HD2 PRO 39 2HD PRO 39 13.604 13.953 0.261 292 HD3 PRO 39 1HD PRO 39 12.905 12.573 -0.613 293 H VAL 40 H VAL 40 8.521 14.148 2.603 294 HA VAL 40 HA VAL 40 9.889 16.199 4.200 295 HB VAL 40 HB VAL 40 8.790 17.426 2.383 296 HG11 VAL 40 1HG1 VAL 40 6.682 16.978 1.649 297 HG12 VAL 40 2HG1 VAL 40 6.064 16.728 3.283 298 HG13 VAL 40 3HG1 VAL 40 6.919 15.427 2.454 299 HG21 VAL 40 3HG2 VAL 40 6.909 17.930 4.626 300 HG22 VAL 40 1HG2 VAL 40 7.985 19.048 3.790 301 HG23 VAL 40 2HG2 VAL 40 8.623 17.980 5.039 302 H THR 41 H THR 41 9.209 16.303 6.295 303 HA THR 41 HA THR 41 7.297 14.243 7.140 304 HB THR 41 HB THR 41 8.208 14.616 9.386 305 HG1 THR 41 1HG THR 41 9.479 16.271 9.804 306 HG21 THR 41 3HG2 THR 41 10.371 13.698 8.996 307 HG22 THR 41 1HG2 THR 41 10.510 14.501 7.433 308 HG23 THR 41 2HG2 THR 41 9.382 13.162 7.640 309 H THR 42 H THR 42 7.282 17.481 6.377 310 HA THR 42 HA THR 42 5.945 19.280 6.943 311 HB THR 42 HB THR 42 3.746 17.333 7.513 312 HG1 THR 42 1HG THR 42 5.259 16.658 5.722 313 HG21 THR 42 3HG2 THR 42 2.415 18.937 6.422 314 HG22 THR 42 1HG2 THR 42 3.793 19.634 5.571 315 HG23 THR 42 2HG2 THR 42 3.590 19.916 7.300 Start of MODEL 18 1 HA ASP 1 HA ASP 1 -11.420 2.828 5.976 2 HB2 ASP 1 1HB ASP 1 -11.584 5.612 5.843 3 HB3 ASP 1 2HB ASP 1 -11.334 5.116 4.170 4 H CYS 2 H CYS 2 -8.287 3.259 5.610 5 HA CYS 2 HA CYS 2 -8.169 1.754 3.139 6 HB2 CYS 2 2HB CYS 2 -6.502 3.364 2.135 7 HB3 CYS 2 1HB CYS 2 -8.171 3.923 2.137 8 H ALA 3 H ALA 3 -5.934 1.056 2.643 9 HA ALA 3 HA ALA 3 -4.602 0.242 5.056 10 HB1 ALA 3 3HB ALA 3 -2.948 -0.315 2.843 11 HB2 ALA 3 1HB ALA 3 -4.606 -0.500 2.263 12 HB3 ALA 3 2HB ALA 3 -4.050 -1.425 3.659 13 H LYS 4 H LYS 4 -3.033 1.286 6.089 14 HA LYS 4 HA LYS 4 -1.885 3.709 4.944 15 HB2 LYS 4 1HB LYS 4 -1.527 2.391 7.650 16 HB3 LYS 4 2HB LYS 4 -0.843 3.949 7.187 17 HG2 LYS 4 1HG LYS 4 -3.122 4.812 6.752 18 HG3 LYS 4 2HG LYS 4 -3.795 3.260 7.252 19 HD2 LYS 4 1HD LYS 4 -2.753 3.541 9.484 20 HD3 LYS 4 2HD LYS 4 -2.137 5.117 8.984 21 HE2 LYS 4 1HE LYS 4 -5.067 4.344 9.055 22 HE3 LYS 4 2HE LYS 4 -4.249 5.328 10.267 23 HZ1 LYS 4 3HZ LYS 4 -5.064 6.942 8.906 24 HZ2 LYS 4 1HZ LYS 4 -4.965 5.989 7.506 25 HZ3 LYS 4 2HZ LYS 4 -3.560 6.688 8.157 26 H GLU 5 H GLU 5 0.595 3.970 5.590 27 HA GLU 5 HA GLU 5 2.084 2.345 3.893 28 HB2 GLU 5 1HB GLU 5 2.858 4.539 4.635 29 HB3 GLU 5 2HB GLU 5 3.037 3.935 6.284 30 HG2 GLU 5 1HG GLU 5 4.760 2.382 5.593 31 HG3 GLU 5 2HG GLU 5 4.498 2.774 3.895 32 H GLY 6 H GLY 6 3.035 0.426 4.053 33 HA2 GLY 6 1HA GLY 6 4.025 -1.440 5.013 34 HA3 GLY 6 2HA GLY 6 3.741 -0.755 6.599 35 H GLU 7 H GLU 7 0.879 -0.509 4.981 36 HA GLU 7 HA GLU 7 -0.166 -2.880 6.358 37 HB2 GLU 7 1HB GLU 7 -1.135 -0.383 6.326 38 HB3 GLU 7 2HB GLU 7 -1.983 -1.015 4.913 39 HG2 GLU 7 1HG GLU 7 -1.980 -2.237 7.692 40 HG3 GLU 7 2HG GLU 7 -3.312 -1.345 6.960 41 H VAL 8 H VAL 8 -1.336 -4.489 5.318 42 HA VAL 8 HA VAL 8 -0.474 -5.314 2.814 43 HB VAL 8 HB VAL 8 -2.973 -6.010 4.357 44 HG11 VAL 8 1HG1 VAL 8 -3.591 -6.646 2.197 45 HG12 VAL 8 2HG1 VAL 8 -2.768 -8.098 2.767 46 HG13 VAL 8 3HG1 VAL 8 -1.927 -6.967 1.707 47 HG21 VAL 8 3HG2 VAL 8 -0.756 -7.927 3.870 48 HG22 VAL 8 1HG2 VAL 8 -1.710 -7.659 5.328 49 HG23 VAL 8 2HG2 VAL 8 -0.379 -6.573 4.933 50 H CYS 9 H CYS 9 -1.196 -5.077 0.732 51 HA CYS 9 HA CYS 9 -3.645 -3.471 0.310 52 HB2 CYS 9 2HB CYS 9 -2.554 -2.061 -1.318 53 HB3 CYS 9 1HB CYS 9 -1.624 -1.979 0.181 54 H SER 10 H SER 10 -4.277 -3.533 -2.043 55 HA SER 10 HA SER 10 -4.924 -4.714 -3.892 56 HB2 SER 10 1HB SER 10 -2.239 -6.046 -3.501 57 HB3 SER 10 2HB SER 10 -3.294 -6.326 -4.875 58 HG SER 10 HG SER 10 -3.205 -4.038 -5.240 59 H TRP 11 H TRP 11 -3.975 -6.462 -1.039 60 HA TRP 11 HA TRP 11 -5.196 -8.948 -1.790 61 HB2 TRP 11 2HB TRP 11 -3.490 -8.020 0.254 62 HB3 TRP 11 1HB TRP 11 -4.930 -8.612 1.067 63 HD1 TRP 11 1HD TRP 11 -1.750 -9.807 -0.174 64 HE1 TRP 11 1HE TRP 11 -1.775 -12.359 -0.542 65 HE3 TRP 11 3HE TRP 11 -6.767 -10.659 0.008 66 HZ2 TRP 11 2HZ TRP 11 -3.683 -14.485 -0.733 67 HZ3 TRP 11 3HZ TRP 11 -7.672 -12.954 -0.266 68 HH2 TRP 11 2HH TRP 11 -6.136 -14.866 -0.637 69 H GLY 12 H GLY 12 -6.933 -6.800 -2.238 70 HA2 GLY 12 1HA GLY 12 -9.292 -6.738 -2.026 71 HA3 GLY 12 2HA GLY 12 -9.156 -7.598 -0.497 72 H LYS 13 H LYS 13 -6.888 -5.112 -0.705 73 HA LYS 13 HA LYS 13 -8.682 -3.161 0.588 74 HB2 LYS 13 1HB LYS 13 -7.313 -4.568 2.251 75 HB3 LYS 13 2HB LYS 13 -5.905 -3.705 1.631 76 HG2 LYS 13 1HG LYS 13 -6.504 -2.301 3.377 77 HG3 LYS 13 2HG LYS 13 -7.427 -1.577 2.061 78 HD2 LYS 13 1HD LYS 13 -9.098 -1.787 3.653 79 HD3 LYS 13 2HD LYS 13 -9.262 -3.339 2.832 80 HE2 LYS 13 1HE LYS 13 -7.810 -4.393 4.530 81 HE3 LYS 13 2HE LYS 13 -7.649 -2.841 5.352 82 HZ1 LYS 13 3HZ LYS 13 -9.849 -2.856 6.002 83 HZ2 LYS 13 1HZ LYS 13 -9.427 -4.493 6.153 84 HZ3 LYS 13 2HZ LYS 13 -10.316 -3.966 4.804 85 H LYS 14 H LYS 14 -8.374 -1.106 -0.049 86 HA LYS 14 HA LYS 14 -6.287 -0.593 -2.042 87 HB2 LYS 14 1HB LYS 14 -8.673 1.054 -1.159 88 HB3 LYS 14 2HB LYS 14 -7.546 1.510 -2.437 89 HG2 LYS 14 1HG LYS 14 -8.119 -0.555 -3.675 90 HG3 LYS 14 2HG LYS 14 -9.266 -0.987 -2.407 91 HD2 LYS 14 1HD LYS 14 -10.516 1.110 -2.840 92 HD3 LYS 14 2HD LYS 14 -9.392 1.500 -4.139 93 HE2 LYS 14 1HE LYS 14 -11.121 -0.989 -4.032 94 HE3 LYS 14 2HE LYS 14 -11.467 0.443 -5.002 95 HZ1 LYS 14 3HZ LYS 14 -9.384 0.123 -6.167 96 HZ2 LYS 14 1HZ LYS 14 -10.348 -1.265 -6.296 97 HZ3 LYS 14 2HZ LYS 14 -9.032 -1.245 -5.222 98 H CYS 15 H CYS 15 -4.621 0.742 -1.750 99 HA CYS 15 HA CYS 15 -3.859 1.445 0.904 100 HB2 CYS 15 2HB CYS 15 -2.373 0.865 -1.135 101 HB3 CYS 15 1HB CYS 15 -2.593 2.553 -1.577 102 H CYS 16 H CYS 16 -3.573 3.512 1.784 103 HA CYS 16 HA CYS 16 -5.645 5.351 1.361 104 HB2 CYS 16 2HB CYS 16 -2.975 5.621 2.751 105 HB3 CYS 16 1HB CYS 16 -4.231 6.850 2.820 106 H ASP 17 H ASP 17 -2.310 5.324 0.219 107 HA ASP 17 HA ASP 17 -3.036 7.445 -1.709 108 HB2 ASP 17 1HB ASP 17 -0.584 7.265 0.035 109 HB3 ASP 17 2HB ASP 17 -0.605 8.217 -1.448 110 H LEU 18 H LEU 18 -3.373 5.678 -3.189 111 HA LEU 18 HA LEU 18 -1.360 3.803 -3.861 112 HB2 LEU 18 1HB LEU 18 -3.740 4.868 -5.394 113 HB3 LEU 18 2HB LEU 18 -2.717 3.562 -5.988 114 HG LEU 18 HG LEU 18 -3.958 3.420 -3.240 115 HD11 LEU 18 1HD1 LEU 18 -5.772 3.837 -4.881 116 HD12 LEU 18 2HD1 LEU 18 -5.847 2.203 -4.220 117 HD13 LEU 18 3HD1 LEU 18 -5.197 2.471 -5.837 118 HD21 LEU 18 3HD2 LEU 18 -3.826 0.957 -3.771 119 HD22 LEU 18 1HD2 LEU 18 -2.251 1.734 -3.718 120 HD23 LEU 18 2HD2 LEU 18 -2.997 1.371 -5.270 121 H ASP 19 H ASP 19 -1.793 7.127 -4.636 122 HA ASP 19 HA ASP 19 -0.243 7.131 -7.050 123 HB2 ASP 19 1HB ASP 19 -1.129 9.322 -5.168 124 HB3 ASP 19 2HB ASP 19 -0.213 9.626 -6.643 125 H ASN 20 H ASN 20 0.437 7.635 -3.621 126 HA ASN 20 HA ASN 20 3.267 8.140 -4.269 127 HB2 ASN 20 1HB ASN 20 1.774 8.516 -1.667 128 HB3 ASN 20 2HB ASN 20 3.458 8.924 -1.947 129 HD21 ASN 20 1HD2 ASN 20 0.704 11.615 -2.762 130 HD22 ASN 20 2HD2 ASN 20 0.520 10.317 -1.693 131 H PHE 21 H PHE 21 1.223 5.639 -3.404 132 HA PHE 21 HA PHE 21 3.496 4.054 -2.409 133 HB2 PHE 21 2HB PHE 21 0.679 4.004 -1.319 134 HB3 PHE 21 1HB PHE 21 1.913 2.811 -0.936 135 HD1 PHE 21 1HD PHE 21 1.376 6.509 -0.967 136 HD2 PHE 21 2HD PHE 21 3.352 3.185 0.880 137 HE1 PHE 21 1HE PHE 21 2.250 8.017 0.785 138 HE2 PHE 21 2HE PHE 21 4.239 4.693 2.633 139 HZ PHE 21 HZ PHE 21 3.690 7.109 2.589 140 H TYR 22 H TYR 22 3.396 1.808 -2.847 141 HA TYR 22 HA TYR 22 1.486 1.023 -4.951 142 HB2 TYR 22 2HB TYR 22 3.343 -0.084 -6.147 143 HB3 TYR 22 1HB TYR 22 3.575 1.658 -6.043 144 HD1 TYR 22 1HD TYR 22 4.693 -1.622 -4.801 145 HD2 TYR 22 2HD TYR 22 5.287 2.636 -4.666 146 HE1 TYR 22 1HE TYR 22 6.905 -1.961 -3.838 147 HE2 TYR 22 2HE TYR 22 7.479 2.268 -3.652 148 HH TYR 22 HH TYR 22 9.219 0.515 -3.591 149 H CYS 23 H CYS 23 1.937 -1.467 -5.409 150 HA CYS 23 HA CYS 23 1.839 -2.785 -2.785 151 HB2 CYS 23 2HB CYS 23 0.483 -3.370 -5.392 152 HB3 CYS 23 1HB CYS 23 0.613 -4.587 -4.124 153 HA PRO 24 HA PRO 24 5.911 -4.329 -4.315 154 HB2 PRO 24 2HB PRO 24 5.685 -5.657 -1.646 155 HB3 PRO 24 1HB PRO 24 7.051 -4.779 -2.353 156 HG2 PRO 24 2HG PRO 24 5.581 -3.667 -0.476 157 HG3 PRO 24 1HG PRO 24 6.163 -2.726 -1.847 158 HD2 PRO 24 2HD PRO 24 3.413 -3.777 -1.334 159 HD3 PRO 24 1HD PRO 24 3.921 -2.260 -2.081 160 H MET 25 H MET 25 6.444 -6.260 -5.239 161 HA MET 25 HA MET 25 4.372 -8.330 -5.260 162 HB2 MET 25 1HB MET 25 6.773 -7.724 -6.960 163 HB3 MET 25 2HB MET 25 6.018 -9.317 -7.021 164 HG2 MET 25 1HG MET 25 4.462 -6.744 -7.365 165 HG3 MET 25 2HG MET 25 5.137 -7.647 -8.721 166 HE1 MET 25 3HE MET 25 2.922 -7.160 -9.350 167 HE2 MET 25 1HE MET 25 1.475 -7.487 -8.385 168 HE3 MET 25 2HE MET 25 1.971 -8.613 -9.644 169 H GLU 26 H GLU 26 4.790 -9.038 -3.051 170 HA GLU 26 HA GLU 26 6.936 -11.042 -2.979 171 HB2 GLU 26 1HB GLU 26 6.471 -8.907 -0.894 172 HB3 GLU 26 2HB GLU 26 7.401 -10.375 -0.586 173 HG2 GLU 26 1HG GLU 26 8.952 -9.810 -2.394 174 HG3 GLU 26 2HG GLU 26 8.000 -8.380 -2.788 175 H PHE 27 H PHE 27 4.193 -11.461 -3.433 176 HA PHE 27 HA PHE 27 2.561 -12.939 -2.784 177 HB2 PHE 27 2HB PHE 27 4.682 -14.074 -1.747 178 HB3 PHE 27 1HB PHE 27 4.010 -13.492 -0.227 179 HD1 PHE 27 1HD PHE 27 3.076 -15.371 -3.320 180 HD2 PHE 27 2HD PHE 27 2.307 -14.704 0.853 181 HE1 PHE 27 1HE PHE 27 1.465 -17.254 -3.318 182 HE2 PHE 27 2HE PHE 27 0.694 -16.587 0.855 183 HZ PHE 27 HZ PHE 27 0.273 -17.862 -1.228 184 H ILE 28 H ILE 28 3.842 -10.787 -0.304 185 HA ILE 28 HA ILE 28 1.079 -10.187 0.533 186 HB ILE 28 HB ILE 28 2.132 -9.789 2.844 187 HG12 ILE 28 1HG1 ILE 28 4.173 -11.728 1.714 188 HG13 ILE 28 2HG1 ILE 28 4.492 -10.014 1.969 189 HG21 ILE 28 1HG2 ILE 28 0.557 -11.589 2.429 190 HG22 ILE 28 2HG2 ILE 28 1.887 -12.224 3.400 191 HG23 ILE 28 3HG2 ILE 28 1.815 -12.563 1.672 192 HD11 ILE 28 3HD1 ILE 28 3.349 -11.034 4.375 193 HD12 ILE 28 1HD1 ILE 28 4.988 -10.435 4.120 194 HD13 ILE 28 2HD1 ILE 28 4.625 -12.144 3.879 195 HA PRO 29 HA PRO 29 3.397 -6.419 -0.933 196 HB2 PRO 29 2HB PRO 29 0.614 -5.660 -1.624 197 HB3 PRO 29 1HB PRO 29 2.084 -5.574 -2.610 198 HG2 PRO 29 2HG PRO 29 0.199 -7.409 -3.051 199 HG3 PRO 29 1HG PRO 29 1.916 -7.791 -3.258 200 HD2 PRO 29 2HD PRO 29 0.077 -8.531 -1.009 201 HD3 PRO 29 1HD PRO 29 1.393 -9.470 -1.749 202 H HIS 30 H HIS 30 3.661 -4.575 0.234 203 HA HIS 30 HA HIS 30 1.520 -3.813 2.124 204 HB2 HIS 30 1HB HIS 30 4.491 -3.858 2.693 205 HB3 HIS 30 2HB HIS 30 3.263 -3.174 3.748 206 HD1 HIS 30 HD1 HIS 30 4.643 -6.445 2.575 207 HD2 HIS 30 HD2 HIS 30 1.536 -5.067 4.986 208 HE1 HIS 30 HE1 HIS 30 3.774 -8.458 3.842 209 H CYS 31 H CYS 31 0.944 -1.732 2.024 210 HA CYS 31 HA CYS 31 1.483 0.022 0.041 211 HB2 CYS 31 2HB CYS 31 0.935 0.518 2.941 212 HB3 CYS 31 1HB CYS 31 1.120 1.860 1.824 213 H LYS 32 H LYS 32 3.549 0.166 -0.716 214 HA LYS 32 HA LYS 32 5.598 1.167 1.139 215 HB2 LYS 32 1HB LYS 32 6.099 -1.013 0.058 216 HB3 LYS 32 2HB LYS 32 5.953 -0.238 -1.509 217 HG2 LYS 32 1HG LYS 32 8.309 -0.411 -0.849 218 HG3 LYS 32 2HG LYS 32 7.820 1.275 -0.959 219 HD2 LYS 32 1HD LYS 32 7.769 1.548 1.384 220 HD3 LYS 32 2HD LYS 32 7.691 -0.191 1.679 221 HE2 LYS 32 1HE LYS 32 10.008 -0.421 0.871 222 HE3 LYS 32 2HE LYS 32 10.070 1.309 0.537 223 HZ1 LYS 32 3HZ LYS 32 10.458 -0.045 2.994 224 HZ2 LYS 32 1HZ LYS 32 9.178 1.058 3.138 225 HZ3 LYS 32 2HZ LYS 32 10.706 1.594 2.626 226 H LYS 33 H LYS 33 6.440 3.131 0.815 227 HA LYS 33 HA LYS 33 5.330 4.804 -1.228 228 HB2 LYS 33 1HB LYS 33 6.112 5.406 1.207 229 HB3 LYS 33 2HB LYS 33 7.688 5.599 0.446 230 HG2 LYS 33 1HG LYS 33 6.834 7.268 -1.074 231 HG3 LYS 33 2HG LYS 33 5.175 6.974 -0.551 232 HD2 LYS 33 1HD LYS 33 5.906 7.662 1.782 233 HD3 LYS 33 2HD LYS 33 7.420 8.209 1.055 234 HE2 LYS 33 1HE LYS 33 6.187 9.717 -0.434 235 HE3 LYS 33 2HE LYS 33 4.653 9.140 0.228 236 HZ1 LYS 33 3HZ LYS 33 4.864 10.472 1.978 237 HZ2 LYS 33 1HZ LYS 33 6.147 11.233 1.169 238 HZ3 LYS 33 2HZ LYS 33 6.464 9.981 2.273 239 H TYR 34 H TYR 34 6.319 5.694 -3.003 240 HA TYR 34 HA TYR 34 8.274 4.164 -4.370 241 HB2 TYR 34 2HB TYR 34 7.260 6.949 -4.804 242 HB3 TYR 34 1HB TYR 34 8.313 6.111 -5.937 243 HD1 TYR 34 1HD TYR 34 4.958 6.559 -4.702 244 HD2 TYR 34 2HD TYR 34 7.486 3.930 -6.964 245 HE1 TYR 34 1HE TYR 34 2.962 5.470 -5.654 246 HE2 TYR 34 2HE TYR 34 5.477 2.836 -7.929 247 HH TYR 34 HH TYR 34 2.307 4.164 -7.531 248 H LYS 35 H LYS 35 10.427 4.375 -4.605 249 HA LYS 35 HA LYS 35 12.337 4.811 -3.044 250 HB2 LYS 35 1HB LYS 35 12.432 6.667 -5.409 251 HB3 LYS 35 2HB LYS 35 13.771 5.831 -4.623 252 HG2 LYS 35 1HG LYS 35 13.458 4.336 -6.330 253 HG3 LYS 35 2HG LYS 35 12.235 3.698 -5.230 254 HD2 LYS 35 1HD LYS 35 10.985 3.936 -7.176 255 HD3 LYS 35 2HD LYS 35 10.686 5.492 -6.402 256 HE2 LYS 35 1HE LYS 35 12.519 6.500 -7.727 257 HE3 LYS 35 2HE LYS 35 12.806 4.944 -8.502 258 HZ1 LYS 35 3HZ LYS 35 11.277 6.702 -9.619 259 HZ2 LYS 35 1HZ LYS 35 10.106 6.091 -8.555 260 HZ3 LYS 35 2HZ LYS 35 10.860 5.056 -9.671 261 HA PRO 36 HA PRO 36 10.854 8.787 -1.218 262 HB2 PRO 36 2HB PRO 36 11.036 8.057 1.398 263 HB3 PRO 36 1HB PRO 36 9.623 7.688 0.390 264 HG2 PRO 36 2HG PRO 36 11.874 5.929 1.209 265 HG3 PRO 36 1HG PRO 36 10.151 5.556 1.042 266 HD2 PRO 36 2HD PRO 36 12.063 4.911 -0.831 267 HD3 PRO 36 1HD PRO 36 10.338 5.110 -1.213 268 H TYR 37 H TYR 37 12.086 10.453 -0.389 269 HA TYR 37 HA TYR 37 14.936 9.831 0.112 270 HB2 TYR 37 2HB TYR 37 13.702 12.356 -1.015 271 HB3 TYR 37 1HB TYR 37 15.424 12.073 -0.753 272 HD1 TYR 37 1HD TYR 37 12.475 11.136 -2.753 273 HD2 TYR 37 2HD TYR 37 16.695 10.563 -2.189 274 HE1 TYR 37 1HE TYR 37 12.616 10.023 -4.960 275 HE2 TYR 37 2HE TYR 37 16.837 9.448 -4.402 276 HH TYR 37 HH TYR 37 15.194 8.174 -5.928 277 H VAL 38 H VAL 38 12.209 10.522 1.721 278 HA VAL 38 HA VAL 38 11.663 11.675 3.656 279 HB VAL 38 HB VAL 38 14.505 11.012 4.427 280 HG11 VAL 38 1HG1 VAL 38 13.707 11.032 6.625 281 HG12 VAL 38 2HG1 VAL 38 12.040 10.750 6.127 282 HG13 VAL 38 3HG1 VAL 38 12.772 12.336 5.898 283 HG21 VAL 38 3HG2 VAL 38 12.135 9.251 3.901 284 HG22 VAL 38 1HG2 VAL 38 13.211 8.842 5.237 285 HG23 VAL 38 2HG2 VAL 38 13.844 8.942 3.595 286 HA PRO 39 HA PRO 39 14.227 15.425 2.394 287 HB2 PRO 39 2HB PRO 39 12.192 16.868 1.278 288 HB3 PRO 39 1HB PRO 39 13.202 15.737 0.354 289 HG2 PRO 39 2HG PRO 39 10.464 15.358 1.470 290 HG3 PRO 39 1HG PRO 39 11.136 14.832 -0.084 291 HD2 PRO 39 2HD PRO 39 10.842 13.144 2.048 292 HD3 PRO 39 1HD PRO 39 12.114 12.939 0.822 293 H VAL 40 H VAL 40 14.261 17.388 3.528 294 HA VAL 40 HA VAL 40 12.951 17.449 6.031 295 HB VAL 40 HB VAL 40 15.139 18.561 5.489 296 HG11 VAL 40 1HG1 VAL 40 13.652 20.945 4.508 297 HG12 VAL 40 2HG1 VAL 40 13.867 19.620 3.363 298 HG13 VAL 40 3HG1 VAL 40 15.276 20.386 4.101 299 HG21 VAL 40 3HG2 VAL 40 14.677 19.585 7.445 300 HG22 VAL 40 1HG2 VAL 40 12.945 19.523 7.105 301 HG23 VAL 40 2HG2 VAL 40 13.907 20.886 6.536 302 H THR 41 H THR 41 12.170 18.808 2.905 303 HA THR 41 HA THR 41 10.122 20.577 3.895 304 HB THR 41 HB THR 41 9.597 20.936 1.536 305 HG1 THR 41 1HG THR 41 9.801 19.057 0.534 306 HG21 THR 41 3HG2 THR 41 11.874 21.677 2.774 307 HG22 THR 41 1HG2 THR 41 11.509 22.122 1.108 308 HG23 THR 41 2HG2 THR 41 12.561 20.746 1.444 309 H THR 42 H THR 42 7.841 20.367 3.198 310 HA THR 42 HA THR 42 5.842 19.237 3.260 311 HB THR 42 HB THR 42 7.157 16.825 2.067 312 HG1 THR 42 1HG THR 42 7.529 17.852 0.219 313 HG21 THR 42 3HG2 THR 42 4.680 18.304 1.189 314 HG22 THR 42 1HG2 THR 42 4.640 17.161 2.532 315 HG23 THR 42 2HG2 THR 42 5.102 16.614 0.920 Start of MODEL 19 1 HA ASP 1 HA ASP 1 -10.430 1.201 6.534 2 HB2 ASP 1 1HB ASP 1 -11.201 2.899 4.717 3 HB3 ASP 1 2HB ASP 1 -12.214 2.680 6.143 4 H CYS 2 H CYS 2 -9.745 1.490 4.067 5 HA CYS 2 HA CYS 2 -7.956 1.387 2.620 6 HB2 CYS 2 2HB CYS 2 -7.059 3.427 2.155 7 HB3 CYS 2 1HB CYS 2 -8.308 3.983 3.263 8 H ALA 3 H ALA 3 -5.451 1.524 2.537 9 HA ALA 3 HA ALA 3 -4.406 0.231 4.978 10 HB1 ALA 3 3HB ALA 3 -3.939 -1.437 3.532 11 HB2 ALA 3 1HB ALA 3 -2.635 -0.393 2.967 12 HB3 ALA 3 2HB ALA 3 -4.184 -0.400 2.127 13 H LYS 4 H LYS 4 -2.813 1.204 6.044 14 HA LYS 4 HA LYS 4 -1.681 3.680 4.974 15 HB2 LYS 4 1HB LYS 4 -1.401 2.370 7.690 16 HB3 LYS 4 2HB LYS 4 -0.769 3.954 7.246 17 HG2 LYS 4 1HG LYS 4 -3.036 4.762 6.776 18 HG3 LYS 4 2HG LYS 4 -3.697 3.165 7.118 19 HD2 LYS 4 1HD LYS 4 -4.049 4.290 9.141 20 HD3 LYS 4 2HD LYS 4 -2.528 3.450 9.432 21 HE2 LYS 4 1HE LYS 4 -2.352 5.774 10.186 22 HE3 LYS 4 2HE LYS 4 -1.288 5.519 8.810 23 HZ1 LYS 4 3HZ LYS 4 -3.487 7.283 9.064 24 HZ2 LYS 4 1HZ LYS 4 -3.735 6.231 7.757 25 HZ3 LYS 4 2HZ LYS 4 -2.331 7.186 7.822 26 H GLU 5 H GLU 5 0.717 4.052 5.395 27 HA GLU 5 HA GLU 5 2.296 2.411 3.868 28 HB2 GLU 5 1HB GLU 5 2.962 4.654 4.661 29 HB3 GLU 5 2HB GLU 5 3.211 3.995 6.277 30 HG2 GLU 5 1HG GLU 5 4.937 2.479 5.419 31 HG3 GLU 5 2HG GLU 5 4.660 3.062 3.780 32 H GLY 6 H GLY 6 3.189 0.466 4.072 33 HA2 GLY 6 1HA GLY 6 4.160 -1.393 5.069 34 HA3 GLY 6 2HA GLY 6 3.944 -0.638 6.636 35 H GLU 7 H GLU 7 1.042 -0.445 5.025 36 HA GLU 7 HA GLU 7 0.011 -2.741 6.547 37 HB2 GLU 7 1HB GLU 7 -1.000 -0.417 6.793 38 HB3 GLU 7 2HB GLU 7 -1.612 -0.610 5.151 39 HG2 GLU 7 1HG GLU 7 -2.893 -2.552 5.772 40 HG3 GLU 7 2HG GLU 7 -2.158 -2.588 7.374 41 H VAL 8 H VAL 8 -1.198 -4.372 5.592 42 HA VAL 8 HA VAL 8 -0.429 -5.246 3.074 43 HB VAL 8 HB VAL 8 -2.910 -5.922 4.655 44 HG11 VAL 8 1HG1 VAL 8 -1.689 -7.158 2.180 45 HG12 VAL 8 2HG1 VAL 8 -3.346 -6.598 2.407 46 HG13 VAL 8 3HG1 VAL 8 -2.783 -8.047 3.240 47 HG21 VAL 8 3HG2 VAL 8 -0.254 -7.359 4.348 48 HG22 VAL 8 1HG2 VAL 8 -1.605 -7.872 5.359 49 HG23 VAL 8 2HG2 VAL 8 -0.721 -6.397 5.751 50 H CYS 9 H CYS 9 -1.086 -4.855 1.009 51 HA CYS 9 HA CYS 9 -3.621 -3.360 0.649 52 HB2 CYS 9 2HB CYS 9 -2.597 -1.951 -1.033 53 HB3 CYS 9 1HB CYS 9 -1.667 -1.818 0.459 54 H SER 10 H SER 10 -3.272 -3.178 -2.189 55 HA SER 10 HA SER 10 -3.719 -4.359 -4.100 56 HB2 SER 10 1HB SER 10 -1.500 -5.427 -3.473 57 HB3 SER 10 2HB SER 10 -2.427 -6.744 -2.773 58 HG SER 10 HG SER 10 -2.885 -7.425 -4.709 59 H TRP 11 H TRP 11 -3.922 -7.510 -3.328 60 HA TRP 11 HA TRP 11 -6.670 -7.739 -3.705 61 HB2 TRP 11 2HB TRP 11 -6.437 -10.031 -3.075 62 HB3 TRP 11 1HB TRP 11 -4.927 -9.583 -3.864 63 HD1 TRP 11 1HD TRP 11 -2.756 -9.329 -2.338 64 HE1 TRP 11 1HE TRP 11 -2.218 -10.159 0.041 65 HE3 TRP 11 3HE TRP 11 -7.453 -10.505 -0.742 66 HZ2 TRP 11 2HZ TRP 11 -3.604 -11.189 2.327 67 HZ3 TRP 11 3HZ TRP 11 -7.823 -11.408 1.537 68 HH2 TRP 11 2HH TRP 11 -5.905 -11.752 3.072 69 H GLY 12 H GLY 12 -4.810 -7.285 -0.745 70 HA2 GLY 12 1HA GLY 12 -6.831 -7.940 1.108 71 HA3 GLY 12 2HA GLY 12 -5.467 -6.871 1.420 72 H LYS 13 H LYS 13 -5.981 -4.866 -0.467 73 HA LYS 13 HA LYS 13 -8.600 -3.853 -0.504 74 HB2 LYS 13 1HB LYS 13 -7.713 -3.756 2.093 75 HB3 LYS 13 2HB LYS 13 -7.190 -2.189 1.490 76 HG2 LYS 13 1HG LYS 13 -9.466 -1.703 0.708 77 HG3 LYS 13 2HG LYS 13 -10.007 -3.290 1.255 78 HD2 LYS 13 1HD LYS 13 -9.376 -2.703 3.574 79 HD3 LYS 13 2HD LYS 13 -8.879 -1.101 3.024 80 HE2 LYS 13 1HE LYS 13 -11.174 -0.653 2.236 81 HE3 LYS 13 2HE LYS 13 -11.674 -2.257 2.772 82 HZ1 LYS 13 3HZ LYS 13 -11.646 -1.649 4.930 83 HZ2 LYS 13 1HZ LYS 13 -11.893 -0.099 4.287 84 HZ3 LYS 13 2HZ LYS 13 -10.332 -0.588 4.743 85 H LYS 14 H LYS 14 -7.962 -1.087 -0.051 86 HA LYS 14 HA LYS 14 -6.043 -0.615 -2.255 87 HB2 LYS 14 1HB LYS 14 -8.505 0.941 -1.427 88 HB3 LYS 14 2HB LYS 14 -7.341 1.494 -2.632 89 HG2 LYS 14 1HG LYS 14 -7.761 -0.529 -3.977 90 HG3 LYS 14 2HG LYS 14 -8.923 -1.090 -2.775 91 HD2 LYS 14 1HD LYS 14 -10.326 0.881 -3.175 92 HD3 LYS 14 2HD LYS 14 -9.148 1.501 -4.333 93 HE2 LYS 14 1HE LYS 14 -10.980 0.379 -5.520 94 HE3 LYS 14 2HE LYS 14 -9.479 -0.522 -5.730 95 HZ1 LYS 14 3HZ LYS 14 -10.473 -2.281 -4.864 96 HZ2 LYS 14 1HZ LYS 14 -11.899 -1.399 -4.608 97 HZ3 LYS 14 2HZ LYS 14 -10.702 -1.447 -3.403 98 H CYS 15 H CYS 15 -4.370 0.680 -1.896 99 HA CYS 15 HA CYS 15 -3.711 1.440 0.768 100 HB2 CYS 15 2HB CYS 15 -2.138 0.812 -1.173 101 HB3 CYS 15 1HB CYS 15 -2.360 2.475 -1.708 102 H CYS 16 H CYS 16 -4.025 3.317 1.814 103 HA CYS 16 HA CYS 16 -5.883 5.187 1.199 104 HB2 CYS 16 2HB CYS 16 -3.651 5.012 3.020 105 HB3 CYS 16 1HB CYS 16 -3.865 6.670 2.467 106 H ASP 17 H ASP 17 -2.554 5.150 0.075 107 HA ASP 17 HA ASP 17 -3.278 7.179 -1.928 108 HB2 ASP 17 1HB ASP 17 -0.925 7.288 -0.046 109 HB3 ASP 17 2HB ASP 17 -0.942 8.166 -1.574 110 H LEU 18 H LEU 18 -3.360 5.495 -3.447 111 HA LEU 18 HA LEU 18 -1.220 3.661 -3.866 112 HB2 LEU 18 1HB LEU 18 -3.542 4.542 -5.595 113 HB3 LEU 18 2HB LEU 18 -2.381 3.320 -6.110 114 HG LEU 18 HG LEU 18 -3.795 3.077 -3.453 115 HD11 LEU 18 1HD1 LEU 18 -5.710 3.105 -4.758 116 HD12 LEU 18 2HD1 LEU 18 -5.250 1.413 -4.951 117 HD13 LEU 18 3HD1 LEU 18 -4.853 2.585 -6.209 118 HD21 LEU 18 3HD2 LEU 18 -1.782 1.603 -4.667 119 HD22 LEU 18 1HD2 LEU 18 -3.231 0.710 -5.114 120 HD23 LEU 18 2HD2 LEU 18 -2.860 0.992 -3.418 121 H ASP 19 H ASP 19 -1.779 6.937 -4.801 122 HA ASP 19 HA ASP 19 -0.034 6.968 -7.080 123 HB2 ASP 19 1HB ASP 19 -1.197 9.158 -5.353 124 HB3 ASP 19 2HB ASP 19 -0.173 9.473 -6.752 125 H ASN 20 H ASN 20 0.333 7.638 -3.630 126 HA ASN 20 HA ASN 20 3.149 8.361 -4.054 127 HB2 ASN 20 1HB ASN 20 1.453 8.460 -1.555 128 HB3 ASN 20 2HB ASN 20 3.111 9.019 -1.679 129 HD21 ASN 20 1HD2 ASN 20 0.288 11.598 -2.489 130 HD22 ASN 20 2HD2 ASN 20 0.167 10.274 -1.443 131 H PHE 21 H PHE 21 1.227 5.680 -3.235 132 HA PHE 21 HA PHE 21 3.616 4.229 -2.307 133 HB2 PHE 21 2HB PHE 21 0.824 3.971 -1.179 134 HB3 PHE 21 1HB PHE 21 2.167 2.898 -0.792 135 HD1 PHE 21 1HD PHE 21 1.130 6.467 -0.745 136 HD2 PHE 21 2HD PHE 21 3.738 3.489 0.905 137 HE1 PHE 21 1HE PHE 21 1.868 8.078 0.989 138 HE2 PHE 21 2HE PHE 21 4.487 5.099 2.631 139 HZ PHE 21 HZ PHE 21 3.555 7.395 2.673 140 H TYR 22 H TYR 22 3.545 1.927 -2.676 141 HA TYR 22 HA TYR 22 1.688 1.103 -4.814 142 HB2 TYR 22 2HB TYR 22 3.527 0.032 -6.012 143 HB3 TYR 22 1HB TYR 22 3.860 1.752 -5.826 144 HD1 TYR 22 1HD TYR 22 4.640 -1.624 -4.453 145 HD2 TYR 22 2HD TYR 22 5.714 2.525 -4.625 146 HE1 TYR 22 1HE TYR 22 6.806 -2.135 -3.461 147 HE2 TYR 22 2HE TYR 22 7.870 2.003 -3.583 148 HH TYR 22 HH TYR 22 9.378 0.159 -3.278 149 H CYS 23 H CYS 23 1.784 -1.277 -5.171 150 HA CYS 23 HA CYS 23 1.901 -2.644 -2.590 151 HB2 CYS 23 2HB CYS 23 0.407 -3.211 -5.127 152 HB3 CYS 23 1HB CYS 23 0.543 -4.391 -3.829 153 HA PRO 24 HA PRO 24 5.829 -4.357 -4.241 154 HB2 PRO 24 2HB PRO 24 5.299 -6.089 -1.850 155 HB3 PRO 24 1HB PRO 24 6.806 -5.316 -2.363 156 HG2 PRO 24 2HG PRO 24 5.421 -4.297 -0.395 157 HG3 PRO 24 1HG PRO 24 6.166 -3.248 -1.595 158 HD2 PRO 24 2HD PRO 24 3.300 -3.993 -1.271 159 HD3 PRO 24 1HD PRO 24 4.020 -2.465 -1.810 160 H MET 25 H MET 25 6.303 -6.152 -5.443 161 HA MET 25 HA MET 25 4.134 -7.829 -6.295 162 HB2 MET 25 1HB MET 25 7.092 -8.112 -6.877 163 HB3 MET 25 2HB MET 25 5.765 -8.840 -7.784 164 HG2 MET 25 1HG MET 25 6.208 -5.860 -7.447 165 HG3 MET 25 2HG MET 25 6.629 -6.788 -8.887 166 HE1 MET 25 3HE MET 25 3.745 -4.258 -9.147 167 HE2 MET 25 1HE MET 25 4.363 -5.112 -10.569 168 HE3 MET 25 2HE MET 25 5.469 -4.585 -9.302 169 H GLU 26 H GLU 26 3.754 -8.607 -3.988 170 HA GLU 26 HA GLU 26 5.121 -11.171 -3.658 171 HB2 GLU 26 1HB GLU 26 4.750 -9.138 -1.444 172 HB3 GLU 26 2HB GLU 26 5.285 -10.804 -1.210 173 HG2 GLU 26 1HG GLU 26 7.223 -10.379 -2.693 174 HG3 GLU 26 2HG GLU 26 6.702 -8.704 -2.877 175 H PHE 27 H PHE 27 3.938 -12.479 -1.960 176 HA PHE 27 HA PHE 27 1.191 -12.659 -2.689 177 HB2 PHE 27 2HB PHE 27 1.321 -14.292 -0.554 178 HB3 PHE 27 1HB PHE 27 1.927 -14.751 -2.144 179 HD1 PHE 27 1HD PHE 27 2.806 -14.030 1.300 180 HD2 PHE 27 2HD PHE 27 4.377 -14.411 -2.680 181 HE1 PHE 27 1HE PHE 27 5.100 -14.246 2.223 182 HE2 PHE 27 2HE PHE 27 6.666 -14.635 -1.755 183 HZ PHE 27 HZ PHE 27 7.029 -14.552 0.696 184 H ILE 28 H ILE 28 2.856 -10.811 -0.375 185 HA ILE 28 HA ILE 28 0.307 -9.940 0.782 186 HB ILE 28 HB ILE 28 1.483 -9.821 3.029 187 HG12 ILE 28 1HG1 ILE 28 3.332 -11.820 1.703 188 HG13 ILE 28 2HG1 ILE 28 3.787 -10.161 2.057 189 HG21 ILE 28 1HG2 ILE 28 -0.236 -11.518 2.421 190 HG22 ILE 28 2HG2 ILE 28 0.967 -12.157 3.542 191 HG23 ILE 28 3HG2 ILE 28 1.051 -12.570 1.829 192 HD11 ILE 28 3HD1 ILE 28 3.091 -10.671 4.486 193 HD12 ILE 28 1HD1 ILE 28 4.593 -11.391 3.906 194 HD13 ILE 28 2HD1 ILE 28 3.128 -12.366 4.001 195 HA PRO 29 HA PRO 29 3.168 -6.540 -0.727 196 HB2 PRO 29 2HB PRO 29 0.534 -5.462 -1.559 197 HB3 PRO 29 1HB PRO 29 2.044 -5.576 -2.476 198 HG2 PRO 29 2HG PRO 29 -0.013 -7.163 -2.989 199 HG3 PRO 29 1HG PRO 29 1.652 -7.769 -3.085 200 HD2 PRO 29 2HD PRO 29 -0.394 -8.182 -0.923 201 HD3 PRO 29 1HD PRO 29 0.794 -9.332 -1.575 202 H HIS 30 H HIS 30 3.564 -4.664 0.397 203 HA HIS 30 HA HIS 30 1.454 -3.744 2.260 204 HB2 HIS 30 1HB HIS 30 4.430 -3.863 2.799 205 HB3 HIS 30 2HB HIS 30 3.227 -3.130 3.857 206 HD1 HIS 30 HD1 HIS 30 4.403 -6.470 2.589 207 HD2 HIS 30 HD2 HIS 30 1.601 -4.957 5.277 208 HE1 HIS 30 HE1 HIS 30 3.551 -8.446 3.922 209 H CYS 31 H CYS 31 1.017 -1.609 2.232 210 HA CYS 31 HA CYS 31 1.621 0.036 0.140 211 HB2 CYS 31 2HB CYS 31 1.012 0.658 3.019 212 HB3 CYS 31 1HB CYS 31 1.244 1.943 1.844 213 H LYS 32 H LYS 32 3.492 0.750 -0.636 214 HA LYS 32 HA LYS 32 5.583 1.584 1.258 215 HB2 LYS 32 1HB LYS 32 6.025 -0.734 0.346 216 HB3 LYS 32 2HB LYS 32 6.144 -0.002 -1.245 217 HG2 LYS 32 1HG LYS 32 8.375 -0.011 -0.575 218 HG3 LYS 32 2HG LYS 32 7.872 1.604 -0.090 219 HD2 LYS 32 1HD LYS 32 7.482 0.832 2.206 220 HD3 LYS 32 2HD LYS 32 7.902 -0.814 1.741 221 HE2 LYS 32 1HE LYS 32 9.773 1.557 1.504 222 HE3 LYS 32 2HE LYS 32 9.779 0.417 2.850 223 HZ1 LYS 32 3HZ LYS 32 11.299 -0.575 1.520 224 HZ2 LYS 32 1HZ LYS 32 10.633 0.037 0.085 225 HZ3 LYS 32 2HZ LYS 32 9.904 -1.287 0.860 226 H LYS 33 H LYS 33 6.496 3.474 0.778 227 HA LYS 33 HA LYS 33 5.472 5.087 -1.295 228 HB2 LYS 33 1HB LYS 33 6.465 5.847 0.912 229 HB3 LYS 33 2HB LYS 33 8.042 5.591 0.178 230 HG2 LYS 33 1HG LYS 33 7.588 7.197 -1.562 231 HG3 LYS 33 2HG LYS 33 5.905 7.346 -1.061 232 HD2 LYS 33 1HD LYS 33 8.094 7.952 0.905 233 HD3 LYS 33 2HD LYS 33 7.639 9.160 -0.296 234 HE2 LYS 33 1HE LYS 33 5.273 8.994 0.468 235 HE3 LYS 33 2HE LYS 33 5.770 7.855 1.714 236 HZ1 LYS 33 3HZ LYS 33 6.082 10.714 1.610 237 HZ2 LYS 33 1HZ LYS 33 7.493 9.891 2.071 238 HZ3 LYS 33 2HZ LYS 33 6.056 9.671 2.950 239 H TYR 34 H TYR 34 6.295 5.705 -3.253 240 HA TYR 34 HA TYR 34 7.828 3.863 -4.721 241 HB2 TYR 34 2HB TYR 34 7.157 6.729 -5.200 242 HB3 TYR 34 1HB TYR 34 8.017 5.754 -6.383 243 HD1 TYR 34 1HD TYR 34 4.835 6.313 -4.642 244 HD2 TYR 34 2HD TYR 34 6.893 3.899 -7.526 245 HE1 TYR 34 1HE TYR 34 2.673 5.389 -5.400 246 HE2 TYR 34 2HE TYR 34 4.726 2.972 -8.295 247 HH TYR 34 HH TYR 34 1.950 4.250 -7.920 248 H LYS 35 H LYS 35 8.742 6.912 -3.213 249 HA LYS 35 HA LYS 35 11.568 6.103 -3.405 250 HB2 LYS 35 1HB LYS 35 10.414 8.829 -3.993 251 HB3 LYS 35 2HB LYS 35 12.131 8.495 -3.779 252 HG2 LYS 35 1HG LYS 35 12.203 7.076 -5.691 253 HG3 LYS 35 2HG LYS 35 10.446 6.988 -5.783 254 HD2 LYS 35 1HD LYS 35 11.316 8.499 -7.512 255 HD3 LYS 35 2HD LYS 35 10.356 9.393 -6.336 256 HE2 LYS 35 1HE LYS 35 12.544 10.494 -6.977 257 HE3 LYS 35 2HE LYS 35 12.339 10.237 -5.248 258 HZ1 LYS 35 3HZ LYS 35 13.661 8.226 -5.420 259 HZ2 LYS 35 1HZ LYS 35 14.536 9.554 -6.009 260 HZ3 LYS 35 2HZ LYS 35 13.834 8.452 -7.095 261 HA PRO 36 HA PRO 36 10.283 7.035 0.980 262 HB2 PRO 36 2HB PRO 36 12.472 5.048 1.391 263 HB3 PRO 36 1HB PRO 36 10.867 5.128 2.142 264 HG2 PRO 36 2HG PRO 36 11.414 3.317 0.284 265 HG3 PRO 36 1HG PRO 36 9.830 4.110 0.351 266 HD2 PRO 36 2HD PRO 36 12.114 4.615 -1.529 267 HD3 PRO 36 1HD PRO 36 10.364 4.636 -1.853 268 H TYR 37 H TYR 37 11.286 8.489 2.302 269 HA TYR 37 HA TYR 37 14.157 8.893 2.242 270 HB2 TYR 37 2HB TYR 37 13.550 11.468 1.827 271 HB3 TYR 37 1HB TYR 37 13.958 10.372 0.509 272 HD1 TYR 37 1HD TYR 37 10.862 10.935 2.584 273 HD2 TYR 37 2HD TYR 37 12.591 10.724 -1.344 274 HE1 TYR 37 1HE TYR 37 8.630 11.288 1.584 275 HE2 TYR 37 2HE TYR 37 10.354 11.086 -2.342 276 HH TYR 37 HH TYR 37 7.995 12.353 -1.158 277 H VAL 38 H VAL 38 14.748 10.780 3.722 278 HA VAL 38 HA VAL 38 12.756 11.159 5.858 279 HB VAL 38 HB VAL 38 14.128 9.290 6.584 280 HG11 VAL 38 1HG1 VAL 38 16.671 10.565 6.893 281 HG12 VAL 38 2HG1 VAL 38 16.171 10.734 5.209 282 HG13 VAL 38 3HG1 VAL 38 16.276 9.133 5.941 283 HG21 VAL 38 3HG2 VAL 38 14.398 10.113 8.698 284 HG22 VAL 38 1HG2 VAL 38 13.656 11.563 8.020 285 HG23 VAL 38 2HG2 VAL 38 15.411 11.450 8.152 286 HA PRO 39 HA PRO 39 14.963 15.074 4.458 287 HB2 PRO 39 2HB PRO 39 12.198 16.055 5.006 288 HB3 PRO 39 1HB PRO 39 13.284 16.439 3.655 289 HG2 PRO 39 2HG PRO 39 11.234 14.828 3.283 290 HG3 PRO 39 1HG PRO 39 12.803 14.468 2.537 291 HD2 PRO 39 2HD PRO 39 11.547 13.224 4.970 292 HD3 PRO 39 1HD PRO 39 12.465 12.451 3.656 293 H VAL 40 H VAL 40 12.650 14.490 7.046 294 HA VAL 40 HA VAL 40 14.427 15.790 8.961 295 HB VAL 40 HB VAL 40 12.983 17.626 8.186 296 HG11 VAL 40 1HG1 VAL 40 10.584 16.287 9.362 297 HG12 VAL 40 2HG1 VAL 40 11.080 15.813 7.738 298 HG13 VAL 40 3HG1 VAL 40 10.677 17.495 8.081 299 HG21 VAL 40 3HG2 VAL 40 13.478 16.874 10.801 300 HG22 VAL 40 1HG2 VAL 40 11.734 17.131 10.802 301 HG23 VAL 40 2HG2 VAL 40 12.816 18.432 10.305 302 H THR 41 H THR 41 14.197 15.025 11.044 303 HA THR 41 HA THR 41 12.958 12.476 11.353 304 HB THR 41 HB THR 41 13.702 12.653 13.696 305 HG1 THR 41 1HG THR 41 13.254 14.878 13.942 306 HG21 THR 41 3HG2 THR 41 15.889 13.845 12.008 307 HG22 THR 41 1HG2 THR 41 15.274 12.230 11.656 308 HG23 THR 41 2HG2 THR 41 15.998 12.574 13.228 309 H THR 42 H THR 42 11.961 15.748 11.958 310 HA THR 42 HA THR 42 10.007 16.657 12.752 311 HB THR 42 HB THR 42 8.269 14.382 12.611 312 HG1 THR 42 1HG THR 42 9.436 14.731 10.136 313 HG21 THR 42 3HG2 THR 42 7.676 16.748 12.185 314 HG22 THR 42 1HG2 THR 42 7.248 15.717 10.821 315 HG23 THR 42 2HG2 THR 42 8.688 16.732 10.741 Start of MODEL 20 1 HA ASP 1 HA ASP 1 -11.894 3.201 5.433 2 HB2 ASP 1 1HB ASP 1 -9.661 2.537 7.365 3 HB3 ASP 1 2HB ASP 1 -9.796 4.100 6.561 4 H CYS 2 H CYS 2 -8.536 2.517 5.814 5 HA CYS 2 HA CYS 2 -8.166 1.543 3.103 6 HB2 CYS 2 2HB CYS 2 -6.814 3.410 2.363 7 HB3 CYS 2 1HB CYS 2 -8.413 4.001 2.816 8 H ALA 3 H ALA 3 -5.771 1.307 2.617 9 HA ALA 3 HA ALA 3 -4.480 0.231 5.004 10 HB1 ALA 3 3HB ALA 3 -4.494 -0.401 2.193 11 HB2 ALA 3 1HB ALA 3 -3.878 -1.357 3.541 12 HB3 ALA 3 2HB ALA 3 -2.838 -0.172 2.754 13 H LYS 4 H LYS 4 -2.775 1.131 5.990 14 HA LYS 4 HA LYS 4 -1.728 3.650 4.900 15 HB2 LYS 4 1HB LYS 4 -1.415 2.395 7.633 16 HB3 LYS 4 2HB LYS 4 -0.793 3.974 7.148 17 HG2 LYS 4 1HG LYS 4 -3.058 4.771 6.683 18 HG3 LYS 4 2HG LYS 4 -3.721 3.181 7.059 19 HD2 LYS 4 1HD LYS 4 -4.054 4.312 9.074 20 HD3 LYS 4 2HD LYS 4 -2.502 3.529 9.359 21 HE2 LYS 4 1HE LYS 4 -2.368 5.868 10.050 22 HE3 LYS 4 2HE LYS 4 -1.349 5.624 8.632 23 HZ1 LYS 4 3HZ LYS 4 -2.623 6.958 7.406 24 HZ2 LYS 4 1HZ LYS 4 -3.279 7.503 8.873 25 HZ3 LYS 4 2HZ LYS 4 -4.070 6.285 7.993 26 H GLU 5 H GLU 5 0.674 4.041 5.358 27 HA GLU 5 HA GLU 5 2.271 2.425 3.829 28 HB2 GLU 5 1HB GLU 5 2.917 4.660 4.655 29 HB3 GLU 5 2HB GLU 5 3.163 3.976 6.263 30 HG2 GLU 5 1HG GLU 5 4.903 2.490 5.406 31 HG3 GLU 5 2HG GLU 5 4.612 3.060 3.763 32 H GLY 6 H GLY 6 3.131 0.462 4.013 33 HA2 GLY 6 1HA GLY 6 4.120 -1.395 5.006 34 HA3 GLY 6 2HA GLY 6 3.877 -0.659 6.580 35 H GLU 7 H GLU 7 1.011 -0.449 4.926 36 HA GLU 7 HA GLU 7 -0.072 -2.733 6.423 37 HB2 GLU 7 1HB GLU 7 -1.078 -0.395 6.589 38 HB3 GLU 7 2HB GLU 7 -1.645 -0.628 4.936 39 HG2 GLU 7 1HG GLU 7 -3.433 -1.296 6.396 40 HG3 GLU 7 2HG GLU 7 -2.747 -2.762 5.704 41 H VAL 8 H VAL 8 -1.239 -4.383 5.468 42 HA VAL 8 HA VAL 8 -0.441 -5.251 2.949 43 HB VAL 8 HB VAL 8 -2.901 -5.992 4.539 44 HG11 VAL 8 1HG1 VAL 8 -3.298 -6.677 2.273 45 HG12 VAL 8 2HG1 VAL 8 -2.732 -8.109 3.128 46 HG13 VAL 8 3HG1 VAL 8 -1.632 -7.220 2.076 47 HG21 VAL 8 3HG2 VAL 8 -1.584 -7.690 5.486 48 HG22 VAL 8 1HG2 VAL 8 -0.459 -6.335 5.415 49 HG23 VAL 8 2HG2 VAL 8 -0.384 -7.610 4.198 50 H CYS 9 H CYS 9 -1.132 -4.907 0.877 51 HA CYS 9 HA CYS 9 -3.668 -3.398 0.545 52 HB2 CYS 9 2HB CYS 9 -2.629 -2.066 -1.210 53 HB3 CYS 9 1HB CYS 9 -1.700 -1.903 0.278 54 H SER 10 H SER 10 -3.308 -3.310 -2.324 55 HA SER 10 HA SER 10 -3.802 -4.542 -4.190 56 HB2 SER 10 1HB SER 10 -2.651 -6.952 -2.785 57 HB3 SER 10 2HB SER 10 -2.707 -6.614 -4.513 58 HG SER 10 HG SER 10 -0.848 -5.707 -4.241 59 H TRP 11 H TRP 11 -4.177 -7.639 -3.394 60 HA TRP 11 HA TRP 11 -6.953 -7.698 -3.668 61 HB2 TRP 11 2HB TRP 11 -6.815 -10.022 -3.106 62 HB3 TRP 11 1HB TRP 11 -5.331 -9.624 -3.970 63 HD1 TRP 11 1HD TRP 11 -3.070 -9.495 -2.564 64 HE1 TRP 11 1HE TRP 11 -2.429 -10.435 -0.250 65 HE3 TRP 11 3HE TRP 11 -7.710 -10.566 -0.733 66 HZ2 TRP 11 2HZ TRP 11 -3.715 -11.504 2.071 67 HZ3 TRP 11 3HZ TRP 11 -7.978 -11.547 1.531 68 HH2 TRP 11 2HH TRP 11 -5.985 -12.018 2.933 69 H GLY 12 H GLY 12 -4.923 -7.436 -0.806 70 HA2 GLY 12 1HA GLY 12 -6.875 -8.014 1.149 71 HA3 GLY 12 2HA GLY 12 -5.434 -7.035 1.403 72 H LYS 13 H LYS 13 -5.961 -4.989 -0.456 73 HA LYS 13 HA LYS 13 -8.487 -3.807 -0.332 74 HB2 LYS 13 1HB LYS 13 -7.129 -3.726 2.199 75 HB3 LYS 13 2HB LYS 13 -7.240 -2.091 1.548 76 HG2 LYS 13 1HG LYS 13 -9.664 -2.417 1.164 77 HG3 LYS 13 2HG LYS 13 -9.549 -4.030 1.866 78 HD2 LYS 13 1HD LYS 13 -10.008 -3.012 3.836 79 HD3 LYS 13 2HD LYS 13 -8.334 -2.458 3.780 80 HE2 LYS 13 1HE LYS 13 -9.675 -0.501 4.118 81 HE3 LYS 13 2HE LYS 13 -9.165 -0.467 2.431 82 HZ1 LYS 13 3HZ LYS 13 -11.544 -1.949 2.651 83 HZ2 LYS 13 1HZ LYS 13 -11.271 -0.507 1.802 84 HZ3 LYS 13 2HZ LYS 13 -11.762 -0.453 3.429 85 H LYS 14 H LYS 14 -8.030 -1.154 -0.181 86 HA LYS 14 HA LYS 14 -5.975 -0.707 -2.261 87 HB2 LYS 14 1HB LYS 14 -8.446 0.883 -1.522 88 HB3 LYS 14 2HB LYS 14 -7.282 1.358 -2.759 89 HG2 LYS 14 1HG LYS 14 -7.728 -0.749 -3.979 90 HG3 LYS 14 2HG LYS 14 -8.912 -1.202 -2.751 91 HD2 LYS 14 1HD LYS 14 -10.229 0.826 -3.275 92 HD3 LYS 14 2HD LYS 14 -9.051 1.263 -4.514 93 HE2 LYS 14 1HE LYS 14 -9.529 -0.829 -5.724 94 HE3 LYS 14 2HE LYS 14 -10.698 -1.284 -4.484 95 HZ1 LYS 14 3HZ LYS 14 -11.002 0.502 -6.688 96 HZ2 LYS 14 1HZ LYS 14 -11.417 1.249 -5.222 97 HZ3 LYS 14 2HZ LYS 14 -12.188 -0.192 -5.688 98 H CYS 15 H CYS 15 -4.308 0.605 -1.905 99 HA CYS 15 HA CYS 15 -3.706 1.444 0.748 100 HB2 CYS 15 2HB CYS 15 -2.100 0.833 -1.201 101 HB3 CYS 15 1HB CYS 15 -2.338 2.502 -1.706 102 H CYS 16 H CYS 16 -4.176 3.301 1.753 103 HA CYS 16 HA CYS 16 -6.041 5.123 1.008 104 HB2 CYS 16 2HB CYS 16 -4.165 4.917 3.081 105 HB3 CYS 16 1HB CYS 16 -3.923 6.522 2.392 106 H ASP 17 H ASP 17 -2.649 5.168 0.122 107 HA ASP 17 HA ASP 17 -3.278 7.224 -1.896 108 HB2 ASP 17 1HB ASP 17 -1.013 7.213 0.085 109 HB3 ASP 17 2HB ASP 17 -0.891 8.081 -1.441 110 H LEU 18 H LEU 18 -3.371 5.573 -3.450 111 HA LEU 18 HA LEU 18 -1.243 3.717 -3.862 112 HB2 LEU 18 1HB LEU 18 -3.559 4.628 -5.567 113 HB3 LEU 18 2HB LEU 18 -2.394 3.424 -6.123 114 HG LEU 18 HG LEU 18 -3.766 3.121 -3.453 115 HD11 LEU 18 1HD1 LEU 18 -5.378 1.598 -4.729 116 HD12 LEU 18 2HD1 LEU 18 -4.816 2.394 -6.198 117 HD13 LEU 18 3HD1 LEU 18 -5.626 3.330 -4.942 118 HD21 LEU 18 3HD2 LEU 18 -2.790 1.061 -3.453 119 HD22 LEU 18 1HD2 LEU 18 -1.771 1.672 -4.758 120 HD23 LEU 18 2HD2 LEU 18 -3.238 0.768 -5.131 121 H ASP 19 H ASP 19 -1.744 7.002 -4.727 122 HA ASP 19 HA ASP 19 0.005 7.033 -7.006 123 HB2 ASP 19 1HB ASP 19 -1.130 9.229 -5.266 124 HB3 ASP 19 2HB ASP 19 -0.131 9.525 -6.687 125 H ASN 20 H ASN 20 0.341 7.632 -3.549 126 HA ASN 20 HA ASN 20 3.161 8.365 -3.927 127 HB2 ASN 20 1HB ASN 20 1.412 8.442 -1.463 128 HB3 ASN 20 2HB ASN 20 3.084 8.981 -1.531 129 HD21 ASN 20 1HD2 ASN 20 0.380 11.650 -2.298 130 HD22 ASN 20 2HD2 ASN 20 0.271 10.348 -1.220 131 H PHE 21 H PHE 21 1.230 5.680 -3.211 132 HA PHE 21 HA PHE 21 3.590 4.199 -2.263 133 HB2 PHE 21 2HB PHE 21 0.784 3.957 -1.160 134 HB3 PHE 21 1HB PHE 21 2.125 2.883 -0.761 135 HD1 PHE 21 1HD PHE 21 1.045 6.441 -0.681 136 HD2 PHE 21 2HD PHE 21 3.732 3.496 0.876 137 HE1 PHE 21 1HE PHE 21 1.785 8.044 1.057 138 HE2 PHE 21 2HE PHE 21 4.483 5.091 2.609 139 HZ PHE 21 HZ PHE 21 3.514 7.371 2.701 140 H TYR 22 H TYR 22 3.559 1.929 -2.734 141 HA TYR 22 HA TYR 22 1.662 1.138 -4.853 142 HB2 TYR 22 2HB TYR 22 3.504 0.110 -6.103 143 HB3 TYR 22 1HB TYR 22 3.801 1.836 -5.890 144 HD1 TYR 22 1HD TYR 22 4.657 -1.540 -4.579 145 HD2 TYR 22 2HD TYR 22 5.645 2.635 -4.692 146 HE1 TYR 22 1HE TYR 22 6.813 -2.026 -3.605 147 HE2 TYR 22 2HE TYR 22 7.798 2.133 -3.650 148 HH TYR 22 HH TYR 22 8.983 0.527 -2.516 149 H CYS 23 H CYS 23 1.843 -1.279 -5.285 150 HA CYS 23 HA CYS 23 1.952 -2.632 -2.687 151 HB2 CYS 23 2HB CYS 23 0.478 -3.271 -5.233 152 HB3 CYS 23 1HB CYS 23 0.642 -4.406 -3.890 153 HA PRO 24 HA PRO 24 5.889 -4.314 -4.327 154 HB2 PRO 24 2HB PRO 24 5.514 -5.978 -1.869 155 HB3 PRO 24 1HB PRO 24 6.940 -5.084 -2.419 156 HG2 PRO 24 2HG PRO 24 5.456 -4.170 -0.454 157 HG3 PRO 24 1HG PRO 24 6.162 -3.086 -1.657 158 HD2 PRO 24 2HD PRO 24 3.352 -3.982 -1.343 159 HD3 PRO 24 1HD PRO 24 4.006 -2.431 -1.891 160 H MET 25 H MET 25 6.402 -6.166 -5.431 161 HA MET 25 HA MET 25 4.229 -7.941 -6.119 162 HB2 MET 25 1HB MET 25 7.134 -7.843 -6.943 163 HB3 MET 25 2HB MET 25 5.997 -9.054 -7.538 164 HG2 MET 25 1HG MET 25 4.572 -7.330 -8.486 165 HG3 MET 25 2HG MET 25 5.565 -6.064 -7.769 166 HE1 MET 25 3HE MET 25 5.135 -8.862 -10.162 167 HE2 MET 25 1HE MET 25 6.730 -9.475 -9.703 168 HE3 MET 25 2HE MET 25 6.471 -8.799 -11.309 169 H GLU 26 H GLU 26 4.004 -8.684 -3.803 170 HA GLU 26 HA GLU 26 5.583 -11.125 -3.431 171 HB2 GLU 26 1HB GLU 26 5.049 -9.022 -1.322 172 HB3 GLU 26 2HB GLU 26 5.667 -10.638 -0.978 173 HG2 GLU 26 1HG GLU 26 7.621 -10.218 -2.401 174 HG3 GLU 26 2HG GLU 26 6.997 -8.623 -2.814 175 H PHE 27 H PHE 27 4.530 -12.347 -1.491 176 HA PHE 27 HA PHE 27 1.953 -13.146 -2.262 177 HB2 PHE 27 2HB PHE 27 3.442 -14.610 -0.974 178 HB3 PHE 27 1HB PHE 27 3.320 -13.530 0.414 179 HD1 PHE 27 1HD PHE 27 1.215 -15.556 -1.927 180 HD2 PHE 27 2HD PHE 27 1.586 -13.813 1.980 181 HE1 PHE 27 1HE PHE 27 -0.862 -16.708 -1.215 182 HE2 PHE 27 2HE PHE 27 -0.491 -14.962 2.690 183 HZ PHE 27 HZ PHE 27 -1.717 -16.410 1.094 184 H ILE 28 H ILE 28 3.019 -11.034 0.382 185 HA ILE 28 HA ILE 28 0.254 -10.001 0.579 186 HB ILE 28 HB ILE 28 0.934 -9.530 3.020 187 HG12 ILE 28 1HG1 ILE 28 2.782 -11.856 2.432 188 HG13 ILE 28 2HG1 ILE 28 3.347 -10.192 2.570 189 HG21 ILE 28 1HG2 ILE 28 0.043 -12.041 1.707 190 HG22 ILE 28 2HG2 ILE 28 -0.771 -11.054 2.920 191 HG23 ILE 28 3HG2 ILE 28 0.502 -12.176 3.406 192 HD11 ILE 28 3HD1 ILE 28 2.078 -11.919 4.698 193 HD12 ILE 28 1HD1 ILE 28 2.166 -10.166 4.865 194 HD13 ILE 28 2HD1 ILE 28 3.647 -11.118 4.742 195 HA PRO 29 HA PRO 29 3.211 -6.628 -0.706 196 HB2 PRO 29 2HB PRO 29 0.591 -5.591 -1.654 197 HB3 PRO 29 1HB PRO 29 2.150 -5.654 -2.498 198 HG2 PRO 29 2HG PRO 29 0.161 -7.305 -3.092 199 HG3 PRO 29 1HG PRO 29 1.846 -7.853 -3.134 200 HD2 PRO 29 2HD PRO 29 -0.285 -8.407 -1.108 201 HD3 PRO 29 1HD PRO 29 1.052 -9.441 -1.656 202 H HIS 30 H HIS 30 3.597 -4.739 0.381 203 HA HIS 30 HA HIS 30 1.466 -3.774 2.212 204 HB2 HIS 30 1HB HIS 30 4.443 -3.930 2.761 205 HB3 HIS 30 2HB HIS 30 3.262 -3.145 3.802 206 HD1 HIS 30 HD1 HIS 30 4.455 -6.519 2.718 207 HD2 HIS 30 HD2 HIS 30 1.494 -4.909 5.168 208 HE1 HIS 30 HE1 HIS 30 3.538 -8.440 4.087 209 H CYS 31 H CYS 31 1.041 -1.628 2.178 210 HA CYS 31 HA CYS 31 1.655 0.010 0.086 211 HB2 CYS 31 2HB CYS 31 1.068 0.647 2.964 212 HB3 CYS 31 1HB CYS 31 1.292 1.927 1.777 213 H LYS 32 H LYS 32 3.544 0.619 -0.710 214 HA LYS 32 HA LYS 32 5.662 1.439 1.173 215 HB2 LYS 32 1HB LYS 32 6.158 -0.796 0.199 216 HB3 LYS 32 2HB LYS 32 6.062 -0.084 -1.405 217 HG2 LYS 32 1HG LYS 32 8.401 -0.228 -0.689 218 HG3 LYS 32 2HG LYS 32 7.922 1.461 -0.829 219 HD2 LYS 32 1HD LYS 32 7.924 1.797 1.468 220 HD3 LYS 32 2HD LYS 32 7.596 0.101 1.823 221 HE2 LYS 32 1HE LYS 32 9.908 0.715 2.419 222 HE3 LYS 32 2HE LYS 32 9.881 -0.487 1.128 223 HZ1 LYS 32 3HZ LYS 32 11.290 1.746 0.989 224 HZ2 LYS 32 1HZ LYS 32 9.843 2.302 0.305 225 HZ3 LYS 32 2HZ LYS 32 10.651 0.974 -0.381 226 H LYS 33 H LYS 33 6.547 3.366 0.767 227 HA LYS 33 HA LYS 33 5.477 5.049 -1.240 228 HB2 LYS 33 1HB LYS 33 6.404 5.777 0.977 229 HB3 LYS 33 2HB LYS 33 8.015 5.513 0.313 230 HG2 LYS 33 1HG LYS 33 7.657 7.152 -1.422 231 HG3 LYS 33 2HG LYS 33 5.953 7.314 -0.999 232 HD2 LYS 33 1HD LYS 33 8.100 7.879 1.042 233 HD3 LYS 33 2HD LYS 33 7.633 9.114 -0.124 234 HE2 LYS 33 1HE LYS 33 5.226 8.785 0.627 235 HE3 LYS 33 2HE LYS 33 5.841 7.756 1.919 236 HZ1 LYS 33 3HZ LYS 33 7.303 9.678 2.530 237 HZ2 LYS 33 1HZ LYS 33 5.646 9.893 2.815 238 HZ3 LYS 33 2HZ LYS 33 6.376 10.627 1.470 239 H TYR 34 H TYR 34 6.207 5.683 -3.202 240 HA TYR 34 HA TYR 34 7.875 4.000 -4.712 241 HB2 TYR 34 2HB TYR 34 7.151 6.866 -5.106 242 HB3 TYR 34 1HB TYR 34 7.999 5.912 -6.313 243 HD1 TYR 34 1HD TYR 34 4.830 6.442 -4.540 244 HD2 TYR 34 2HD TYR 34 6.870 4.079 -7.476 245 HE1 TYR 34 1HE TYR 34 2.664 5.524 -5.297 246 HE2 TYR 34 2HE TYR 34 4.702 3.160 -8.245 247 HH TYR 34 HH TYR 34 2.505 3.170 -7.981 248 H LYS 35 H LYS 35 9.734 5.529 -6.011 249 HA LYS 35 HA LYS 35 11.630 6.395 -3.932 250 HB2 LYS 35 1HB LYS 35 13.423 5.164 -5.204 251 HB3 LYS 35 2HB LYS 35 12.273 4.137 -4.350 252 HG2 LYS 35 1HG LYS 35 11.664 4.874 -7.188 253 HG3 LYS 35 2HG LYS 35 12.911 3.664 -6.895 254 HD2 LYS 35 1HD LYS 35 11.279 2.377 -5.498 255 HD3 LYS 35 2HD LYS 35 10.026 3.540 -5.928 256 HE2 LYS 35 1HE LYS 35 10.361 3.013 -8.311 257 HE3 LYS 35 2HE LYS 35 11.596 1.831 -7.869 258 HZ1 LYS 35 3HZ LYS 35 9.840 0.776 -6.439 259 HZ2 LYS 35 1HZ LYS 35 9.596 0.640 -8.113 260 HZ3 LYS 35 2HZ LYS 35 8.707 1.777 -7.216 261 HA PRO 36 HA PRO 36 11.439 9.115 -7.755 262 HB2 PRO 36 2HB PRO 36 10.602 11.395 -6.490 263 HB3 PRO 36 1HB PRO 36 9.484 10.193 -7.165 264 HG2 PRO 36 2HG PRO 36 10.329 10.622 -4.345 265 HG3 PRO 36 1HG PRO 36 8.742 10.180 -4.997 266 HD2 PRO 36 2HD PRO 36 10.460 8.377 -3.852 267 HD3 PRO 36 1HD PRO 36 9.255 7.935 -5.082 268 H TYR 37 H TYR 37 13.054 10.569 -8.332 269 HA TYR 37 HA TYR 37 15.031 11.212 -6.224 270 HB2 TYR 37 2HB TYR 37 15.477 10.770 -9.186 271 HB3 TYR 37 1HB TYR 37 16.723 11.163 -8.000 272 HD1 TYR 37 1HD TYR 37 14.321 8.590 -9.117 273 HD2 TYR 37 2HD TYR 37 17.521 9.517 -6.407 274 HE1 TYR 37 1HE TYR 37 14.536 6.189 -8.555 275 HE2 TYR 37 2HE TYR 37 17.740 7.111 -5.843 276 HH TYR 37 HH TYR 37 15.397 4.810 -6.672 277 H VAL 38 H VAL 38 12.629 12.595 -7.907 278 HA VAL 38 HA VAL 38 14.008 15.210 -7.997 279 HB VAL 38 HB VAL 38 12.673 15.794 -9.980 280 HG11 VAL 38 1HG1 VAL 38 14.060 14.683 -11.518 281 HG12 VAL 38 2HG1 VAL 38 14.045 13.183 -10.591 282 HG13 VAL 38 3HG1 VAL 38 14.982 14.565 -10.017 283 HG21 VAL 38 3HG2 VAL 38 10.807 14.568 -10.336 284 HG22 VAL 38 1HG2 VAL 38 11.376 13.278 -9.278 285 HG23 VAL 38 2HG2 VAL 38 11.868 13.310 -10.972 286 HA PRO 39 HA PRO 39 10.035 15.204 -5.501 287 HB2 PRO 39 2HB PRO 39 11.141 16.001 -3.131 288 HB3 PRO 39 1HB PRO 39 10.973 14.299 -3.605 289 HG2 PRO 39 2HG PRO 39 13.361 16.072 -3.716 290 HG3 PRO 39 1HG PRO 39 13.244 14.364 -3.267 291 HD2 PRO 39 2HD PRO 39 14.120 15.204 -5.709 292 HD3 PRO 39 1HD PRO 39 13.309 13.644 -5.456 293 H VAL 40 H VAL 40 12.626 17.373 -6.113 294 HA VAL 40 HA VAL 40 11.593 19.750 -4.990 295 HB VAL 40 HB VAL 40 13.936 19.434 -5.834 296 HG11 VAL 40 1HG1 VAL 40 12.767 20.006 -8.561 297 HG12 VAL 40 2HG1 VAL 40 13.071 18.358 -8.011 298 HG13 VAL 40 3HG1 VAL 40 14.408 19.496 -8.158 299 HG21 VAL 40 3HG2 VAL 40 12.475 21.767 -7.111 300 HG22 VAL 40 1HG2 VAL 40 14.163 21.722 -6.597 301 HG23 VAL 40 2HG2 VAL 40 12.873 21.681 -5.394 302 H THR 41 H THR 41 10.908 18.057 -7.972 303 HA THR 41 HA THR 41 9.622 20.142 -9.374 304 HB THR 41 HB THR 41 10.341 17.825 -10.232 305 HG1 THR 41 1HG THR 41 8.970 18.102 -11.866 306 HG21 THR 41 3HG2 THR 41 7.543 17.043 -9.447 307 HG22 THR 41 1HG2 THR 41 8.901 16.728 -8.367 308 HG23 THR 41 2HG2 THR 41 8.872 16.009 -9.978 309 H THR 42 H THR 42 8.586 18.066 -6.773 310 HA THR 42 HA THR 42 5.820 19.052 -7.022 311 HB THR 42 HB THR 42 6.560 17.032 -4.967 312 HG1 THR 42 1HG THR 42 6.089 15.622 -7.044 313 HG21 THR 42 3HG2 THR 42 4.227 18.021 -5.590 314 HG22 THR 42 1HG2 THR 42 4.370 16.281 -5.337 315 HG23 THR 42 2HG2 THR 42 4.322 16.933 -6.975
Contact the webmaster for help, if required. Monday, June 3, 2024 3:59:23 AM GMT (wattos1)