NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
576377 | 2m8v | 19275 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 -20.423 -8.005 4.742 2 H2 ALA 1 2HT ALA 1 -19.382 -6.641 4.756 3 H3 ALA 1 3HT ALA 1 -21.067 -6.440 5.010 4 HA ALA 1 HA ALA 1 -21.015 -7.346 7.075 5 HB1 ALA 1 2HB ALA 1 -19.885 -9.353 6.837 6 HB2 ALA 1 3HB ALA 1 -18.804 -8.426 7.877 7 HB3 ALA 1 1HB ALA 1 -18.452 -8.584 6.156 8 H ASP 2 H ASP 2 -17.613 -6.566 6.397 9 HA ASP 2 HA ASP 2 -17.884 -4.252 8.192 10 HB2 ASP 2 2HB ASP 2 -16.101 -6.339 8.326 11 HB3 ASP 2 1HB ASP 2 -15.159 -5.099 7.504 12 H ARG 3 H ARG 3 -17.564 -2.254 7.437 13 HA ARG 3 HA ARG 3 -16.956 -1.929 4.613 14 HB2 ARG 3 2HB ARG 3 -18.827 -0.733 6.005 15 HB3 ARG 3 1HB ARG 3 -17.524 0.354 6.466 16 HG2 ARG 3 2HG ARG 3 -18.125 1.495 4.641 17 HG3 ARG 3 1HG ARG 3 -17.205 0.265 3.772 18 HD2 ARG 3 2HD ARG 3 -20.137 -0.012 4.390 19 HD3 ARG 3 1HD ARG 3 -19.537 0.735 2.910 20 HE ARG 3 HE ARG 3 -18.310 -1.752 3.153 21 HH11 ARG 3 1HH1 ARG 3 -21.518 -0.458 2.695 22 HH12 ARG 3 2HH1 ARG 3 -22.085 -1.838 1.815 23 HH21 ARG 3 1HH2 ARG 3 -19.053 -3.568 1.996 24 HH22 ARG 3 2HH2 ARG 3 -20.685 -3.604 1.419 25 H GLY 4 H GLY 4 -15.183 -0.920 3.785 26 HA2 GLY 4 2HA GLY 4 -13.402 0.805 4.423 27 HA3 GLY 4 1HA GLY 4 -13.032 -0.329 5.713 28 H TRP 5 H TRP 5 -12.295 0.608 2.589 29 HA TRP 5 HA TRP 5 -10.574 -1.723 2.256 30 HB2 TRP 5 2HB TRP 5 -12.949 -1.650 0.899 31 HB3 TRP 5 1HB TRP 5 -11.859 -0.896 -0.259 32 HD1 TRP 5 HD TRP 5 -9.274 -2.690 0.346 33 HE1 TRP 5 1HE TRP 5 -9.246 -5.140 -0.441 34 HE3 TRP 5 3HE TRP 5 -14.309 -3.453 -0.118 35 HZ2 TRP 5 2HZ TRP 5 -11.110 -7.133 -1.162 36 HZ3 TRP 5 3HZ TRP 5 -15.103 -5.660 -0.863 37 HH2 TRP 5 HH TRP 5 -13.536 -7.461 -1.374 38 H ILE 6 H ILE 6 -8.612 -1.201 1.492 39 HA ILE 6 HA ILE 6 -8.004 1.576 1.038 40 HB ILE 6 HB ILE 6 -6.135 -0.770 0.724 41 HG12 ILE 6 2HG1 ILE 6 -5.869 0.676 3.218 42 HG13 ILE 6 1HG1 ILE 6 -7.489 0.004 3.061 43 HG21 ILE 6 1HG2 ILE 6 -5.246 1.247 -0.209 44 HG22 ILE 6 2HG2 ILE 6 -4.429 0.941 1.322 45 HG23 ILE 6 3HG2 ILE 6 -5.693 2.166 1.228 46 HD11 ILE 6 3HD1 ILE 6 -4.888 -1.360 3.365 47 HD12 ILE 6 1HD1 ILE 6 -6.098 -2.143 2.350 48 HD13 ILE 6 2HD1 ILE 6 -6.471 -1.762 4.031 49 H LYS 7 H LYS 7 -6.834 2.361 -0.836 50 HA LYS 7 HA LYS 7 -7.696 1.005 -3.301 51 HB2 LYS 7 2HB LYS 7 -7.034 3.924 -2.876 52 HB3 LYS 7 1HB LYS 7 -7.601 3.203 -4.376 53 HG2 LYS 7 2HG LYS 7 -9.739 2.760 -3.464 54 HG3 LYS 7 1HG LYS 7 -9.190 3.131 -1.828 55 HD2 LYS 7 2HD LYS 7 -9.151 5.168 -4.041 56 HD3 LYS 7 1HD LYS 7 -10.565 4.915 -3.015 57 HE2 LYS 7 2HE LYS 7 -8.027 5.229 -1.568 58 HE3 LYS 7 1HE LYS 7 -8.546 6.653 -2.469 59 HZ1 LYS 7 3HZ LYS 7 -9.365 6.095 -0.005 60 HZ2 LYS 7 1HZ LYS 7 -10.596 5.339 -0.887 61 HZ3 LYS 7 2HZ LYS 7 -10.287 6.987 -1.107 62 H DBB 8 H DBB 8 -5.025 2.919 -1.930 63 HA DBB 8 HA DBB 8 -3.271 2.074 -4.086 64 HB3 DBB 8 HB DBB 8 -3.204 0.238 -2.415 65 HG1 DBB 8 3HG2 DBB 8 -0.779 0.097 -2.193 66 HG2 DBB 8 1HG2 DBB 8 -0.634 1.807 -2.593 67 HG3 DBB 8 2HG2 DBB 8 -1.229 0.668 -3.797 68 H LEU 9 H LEU 9 -3.525 3.768 -0.970 69 HA LEU 9 HA LEU 9 -2.445 6.154 -2.075 70 HB2 LEU 9 2HB LEU 9 -2.630 5.742 0.870 71 HB3 LEU 9 1HB LEU 9 -2.961 7.180 -0.075 72 HG LEU 9 HG LEU 9 -4.921 5.531 -0.979 73 HD11 LEU 9 1HD1 LEU 9 -5.659 4.028 0.540 74 HD12 LEU 9 2HD1 LEU 9 -5.111 4.984 1.917 75 HD13 LEU 9 3HD1 LEU 9 -3.957 4.011 1.004 76 HD21 LEU 9 3HD2 LEU 9 -6.407 6.759 0.587 77 HD22 LEU 9 1HD2 LEU 9 -5.274 7.806 -0.270 78 HD23 LEU 9 2HD2 LEU 9 -4.973 7.370 1.412 79 H DBB 10 H DBB 10 -1.076 3.575 -0.132 80 HA DBB 10 HA DBB 10 1.455 5.059 -0.021 81 HB3 DBB 10 HB DBB 10 2.727 3.111 -0.708 82 HG1 DBB 10 3HG2 DBB 10 1.472 1.146 -1.691 83 HG2 DBB 10 1HG2 DBB 10 0.058 1.741 -0.828 84 HG3 DBB 10 2HG2 DBB 10 1.486 1.234 0.068 85 H LYS 11 H LYS 11 0.609 5.416 2.185 86 HA LYS 11 HA LYS 11 1.822 3.540 3.990 87 HB2 LYS 11 2HB LYS 11 0.543 6.228 4.251 88 HB3 LYS 11 1HB LYS 11 0.775 5.251 5.694 89 HG2 LYS 11 2HG LYS 11 2.712 6.445 5.705 90 HG3 LYS 11 1HG LYS 11 3.225 5.047 4.758 91 HD2 LYS 11 2HD LYS 11 2.804 6.286 2.694 92 HD3 LYS 11 1HD LYS 11 2.270 7.681 3.634 93 HE2 LYS 11 2HE LYS 11 4.400 8.179 4.356 94 HE3 LYS 11 1HE LYS 11 4.971 6.524 4.148 95 HZ1 LYS 11 3HZ LYS 11 5.952 7.815 2.451 96 HZ2 LYS 11 1HZ LYS 11 4.483 8.546 2.037 97 HZ3 LYS 11 2HZ LYS 11 4.737 6.908 1.700 98 H ASP 12 H ASP 12 -1.229 3.707 2.608 99 HA ASP 12 HA ASP 12 -2.493 2.413 4.924 100 HB2 ASP 12 2HB ASP 12 -3.430 4.310 2.950 101 HB3 ASP 12 1HB ASP 12 -4.466 2.886 2.994 102 H CYS 13 H CYS 13 -0.903 1.527 2.195 103 HA CYS 13 HA CYS 13 -2.603 -0.851 1.809 104 HB2 CYS 13 2HB CYS 13 -0.593 0.014 -0.235 105 HB3 CYS 13 1HB CYS 13 -2.062 -0.927 -0.451 106 HA PRO 14 HA PRO 14 1.262 -2.446 3.686 107 HB2 PRO 14 2HB PRO 14 -0.461 -4.536 4.765 108 HB3 PRO 14 1HB PRO 14 0.524 -3.352 5.626 109 HG2 PRO 14 2HG PRO 14 -2.187 -3.280 5.617 110 HG3 PRO 14 1HG PRO 14 -1.184 -1.824 5.749 111 HD2 PRO 14 2HD PRO 14 -2.598 -2.942 3.356 112 HD3 PRO 14 1HD PRO 14 -2.444 -1.253 3.888 113 H ASN 15 H ASN 15 -1.055 -3.716 1.521 114 HA ASN 15 HA ASN 15 0.344 -6.229 1.125 115 HB2 ASN 15 2HB ASN 15 -2.194 -5.028 0.103 116 HB3 ASN 15 1HB ASN 15 -1.434 -6.312 -0.833 117 HD21 ASN 15 1HD2 ASN 15 -2.116 -5.614 2.583 118 HD22 ASN 15 2HD2 ASN 15 -2.751 -7.178 2.950 119 H VAL 16 H VAL 16 -0.881 -4.119 -1.442 120 HA VAL 16 HA VAL 16 0.067 -3.343 -3.356 121 HB VAL 16 HB VAL 16 2.674 -3.370 -1.835 122 HG11 VAL 16 1HG1 VAL 16 3.057 -2.978 -4.145 123 HG12 VAL 16 2HG1 VAL 16 3.142 -1.409 -3.344 124 HG13 VAL 16 3HG1 VAL 16 1.697 -1.860 -4.249 125 HG21 VAL 16 3HG2 VAL 16 1.815 -0.811 -1.680 126 HG22 VAL 16 1HG2 VAL 16 1.585 -2.011 -0.409 127 HG23 VAL 16 2HG2 VAL 16 0.284 -1.679 -1.553 128 H ILE 17 H ILE 17 1.480 -3.914 -5.148 129 HA ILE 17 HA ILE 17 2.478 -6.677 -4.981 130 HB ILE 17 HB ILE 17 1.620 -5.784 -7.649 131 HG12 ILE 17 2HG1 ILE 17 -0.163 -4.769 -6.262 132 HG13 ILE 17 1HG1 ILE 17 -0.766 -6.088 -7.261 133 HG21 ILE 17 1HG2 ILE 17 2.312 -8.137 -6.530 134 HG22 ILE 17 2HG2 ILE 17 1.334 -7.991 -7.990 135 HG23 ILE 17 3HG2 ILE 17 0.555 -8.241 -6.428 136 HD11 ILE 17 3HD1 ILE 17 0.097 -6.850 -4.558 137 HD12 ILE 17 1HD1 ILE 17 -1.320 -7.344 -5.485 138 HD13 ILE 17 2HD1 ILE 17 -1.313 -5.794 -4.644 139 H SER 18 H SER 18 3.589 -6.855 -7.493 140 HA SER 18 HA SER 18 6.063 -5.529 -7.127 141 HB2 SER 18 2HB SER 18 4.898 -7.370 -9.147 142 HB3 SER 18 1HB SER 18 6.273 -6.394 -9.664 143 HG SER 18 HG SER 18 6.795 -8.475 -8.692 144 H SER 19 H SER 19 5.967 -3.337 -7.203 145 HA SER 19 HA SER 19 5.841 -2.089 -9.751 146 HB2 SER 19 2HB SER 19 3.942 -0.503 -9.080 147 HB3 SER 19 1HB SER 19 3.484 -2.130 -9.581 148 HG SER 19 HG SER 19 2.431 -1.438 -7.646 149 H ILE 20 H ILE 20 5.688 -1.657 -6.259 150 HA ILE 20 HA ILE 20 7.703 0.452 -6.499 151 HB ILE 20 HB ILE 20 5.447 0.644 -4.525 152 HG12 ILE 20 2HG1 ILE 20 4.989 2.678 -6.269 153 HG13 ILE 20 1HG1 ILE 20 5.574 1.434 -7.370 154 HG21 ILE 20 1HG2 ILE 20 6.851 3.060 -5.367 155 HG22 ILE 20 2HG2 ILE 20 7.890 1.875 -4.575 156 HG23 ILE 20 3HG2 ILE 20 6.455 2.481 -3.748 157 HD11 ILE 20 3HD1 ILE 20 3.844 -0.077 -6.172 158 HD12 ILE 20 1HD1 ILE 20 3.301 1.084 -7.383 159 HD13 ILE 20 2HD1 ILE 20 3.126 1.452 -5.667 160 H CYS 21 H CYS 21 5.940 -1.088 -3.884 161 HA CYS 21 HA CYS 21 8.443 -1.543 -2.461 162 HB2 CYS 21 2HB CYS 21 5.953 -0.739 -1.602 163 HB3 CYS 21 1HB CYS 21 5.981 -2.440 -1.150 164 H ALA 22 H ALA 22 5.867 -3.269 -4.029 165 HA ALA 22 HA ALA 22 5.576 -5.458 -4.588 166 HB1 ALA 22 1HB ALA 22 7.382 -6.468 -5.499 167 HB2 ALA 22 2HB ALA 22 8.396 -6.178 -4.085 168 HB3 ALA 22 3HB ALA 22 8.108 -4.881 -5.245 169 H GLY 23 H GLY 23 5.001 -4.834 -1.937 170 HA2 GLY 23 2HA GLY 23 4.511 -5.883 0.045 171 HA3 GLY 23 1HA GLY 23 4.903 -7.391 -0.767 172 H THR 24 H THR 24 6.157 -4.758 1.170 173 HA THR 24 HA THR 24 8.054 -6.491 2.422 174 HB THR 24 HB THR 24 9.274 -5.938 0.346 175 HG1 THR 24 1HG THR 24 10.461 -4.582 2.521 176 HG21 THR 24 3HG2 THR 24 10.127 -3.700 -0.036 177 HG22 THR 24 1HG2 THR 24 9.172 -3.093 1.317 178 HG23 THR 24 2HG2 THR 24 8.365 -3.729 -0.117 179 H ILE 25 H ILE 25 9.400 -5.248 4.051 180 HA ILE 25 HA ILE 25 7.637 -3.459 5.463 181 HB ILE 25 HB ILE 25 9.692 -3.378 7.085 182 HG12 ILE 25 2HG1 ILE 25 11.151 -5.290 6.986 183 HG13 ILE 25 1HG1 ILE 25 10.276 -5.955 5.612 184 HG21 ILE 25 1HG2 ILE 25 8.910 -5.485 8.118 185 HG22 ILE 25 2HG2 ILE 25 7.987 -5.823 6.653 186 HG23 ILE 25 3HG2 ILE 25 7.596 -4.412 7.636 187 HD11 ILE 25 3HD1 ILE 25 12.011 -3.501 5.654 188 HD12 ILE 25 1HD1 ILE 25 11.017 -3.989 4.282 189 HD13 ILE 25 2HD1 ILE 25 12.328 -5.030 4.834 190 H ILE 26 H ILE 26 7.810 -1.889 3.599 191 HA ILE 26 HA ILE 26 8.621 0.004 2.609 192 HB ILE 26 HB ILE 26 7.700 0.973 4.581 193 HG12 ILE 26 2HG1 ILE 26 9.119 2.962 4.879 194 HG13 ILE 26 1HG1 ILE 26 10.468 2.111 4.132 195 HG21 ILE 26 1HG2 ILE 26 10.278 0.230 5.948 196 HG22 ILE 26 2HG2 ILE 26 8.661 -0.381 6.296 197 HG23 ILE 26 3HG2 ILE 26 9.061 1.301 6.638 198 HD11 ILE 26 3HD1 ILE 26 7.867 2.805 2.788 199 HD12 ILE 26 1HD1 ILE 26 9.231 1.974 2.041 200 HD13 ILE 26 2HD1 ILE 26 9.404 3.645 2.577 201 H THR 27 H THR 27 10.321 -0.519 1.318 202 HA THR 27 HA THR 27 13.006 -0.319 2.516 203 HB THR 27 HB THR 27 13.787 -1.696 0.593 204 HG1 THR 27 1HG THR 27 11.009 -1.916 0.081 205 HG21 THR 27 3HG2 THR 27 12.857 -3.839 1.294 206 HG22 THR 27 1HG2 THR 27 11.618 -2.994 2.222 207 HG23 THR 27 2HG2 THR 27 13.316 -2.841 2.674 208 H ALA 28 H ALA 28 11.740 -0.133 -0.805 209 HA ALA 28 HA ALA 28 13.156 2.435 -1.097 210 HB1 ALA 28 1HB ALA 28 13.057 1.807 -3.597 211 HB2 ALA 28 2HB ALA 28 12.725 0.176 -3.013 212 HB3 ALA 28 3HB ALA 28 14.225 0.986 -2.562 213 H CYS 29 H CYS 29 10.102 0.966 -1.060 214 HA CYS 29 HA CYS 29 8.747 2.612 -2.934 215 HB2 CYS 29 2HB CYS 29 6.699 1.761 -1.895 216 HB3 CYS 29 1HB CYS 29 7.846 0.459 -2.173 217 H LYS 30 H LYS 30 9.942 4.598 -2.109 218 HA LYS 30 HA LYS 30 8.790 5.780 0.285 219 HB2 LYS 30 2HB LYS 30 11.263 5.982 -0.956 220 HB3 LYS 30 1HB LYS 30 10.495 7.524 -1.308 221 HG2 LYS 30 2HG LYS 30 10.550 8.201 0.847 222 HG3 LYS 30 1HG LYS 30 10.316 6.571 1.481 223 HD2 LYS 30 2HD LYS 30 12.871 7.099 0.085 224 HD3 LYS 30 1HD LYS 30 12.645 7.889 1.646 225 HE2 LYS 30 2HE LYS 30 11.834 5.444 2.317 226 HE3 LYS 30 1HE LYS 30 12.909 5.006 0.990 227 HZ1 LYS 30 3HZ LYS 30 14.406 5.026 2.665 228 HZ2 LYS 30 1HZ LYS 30 13.544 6.145 3.598 229 HZ3 LYS 30 2HZ LYS 30 14.479 6.674 2.291 230 H ASN 31 H ASN 31 7.459 5.364 -2.540 231 HA ASN 31 HA ASN 31 5.860 7.740 -2.372 232 HB2 ASN 31 2HB ASN 31 6.268 8.521 -4.662 233 HB3 ASN 31 1HB ASN 31 7.740 8.594 -3.699 234 HD21 ASN 31 1HD2 ASN 31 6.584 7.827 -6.634 235 HD22 ASN 31 2HD2 ASN 31 7.768 6.675 -7.139 236 H CYS 32 H CYS 32 3.854 7.050 -2.655 237 HA CYS 32 HA CYS 32 3.384 4.611 -4.197 238 HB2 CYS 32 2HB CYS 32 2.380 5.469 -1.776 239 HB3 CYS 32 1HB CYS 32 1.066 5.831 -2.888 240 H ALA 33 H ALA 33 1.873 7.824 -3.840 241 HA ALA 33 HA ALA 33 0.798 9.174 -5.323 242 HB1 ALA 33 1HB ALA 33 2.669 7.667 -7.090 243 HB2 ALA 33 2HB ALA 33 2.630 9.385 -6.694 244 HB3 ALA 33 3HB ALA 33 1.448 8.712 -7.816 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 -8.261 -0.085 -11.058 2 H2 ALA 1 2HT ALA 1 -7.856 -1.120 -9.750 3 H3 ALA 1 3HT ALA 1 -8.577 0.407 -9.446 4 HA ALA 1 HA ALA 1 -10.604 -0.233 -10.210 5 HB1 ALA 1 2HB ALA 1 -10.080 -1.186 -12.297 6 HB2 ALA 1 3HB ALA 1 -10.877 -2.467 -11.384 7 HB3 ALA 1 1HB ALA 1 -9.123 -2.471 -11.561 8 H ASP 2 H ASP 2 -8.991 -0.705 -7.819 9 HA ASP 2 HA ASP 2 -9.709 -3.306 -6.818 10 HB2 ASP 2 2HB ASP 2 -8.509 -0.872 -5.490 11 HB3 ASP 2 1HB ASP 2 -8.815 -2.388 -4.647 12 H ARG 3 H ARG 3 -11.379 -3.854 -5.513 13 HA ARG 3 HA ARG 3 -13.230 -1.711 -4.703 14 HB2 ARG 3 2HB ARG 3 -14.142 -2.920 -6.634 15 HB3 ARG 3 1HB ARG 3 -13.969 -4.442 -5.769 16 HG2 ARG 3 2HG ARG 3 -15.463 -2.988 -4.020 17 HG3 ARG 3 1HG ARG 3 -16.042 -2.388 -5.574 18 HD2 ARG 3 2HD ARG 3 -17.426 -4.176 -5.362 19 HD3 ARG 3 1HD ARG 3 -16.060 -4.987 -6.127 20 HE ARG 3 HE ARG 3 -15.938 -4.979 -3.256 21 HH11 ARG 3 1HH1 ARG 3 -17.184 -6.641 -6.059 22 HH12 ARG 3 2HH1 ARG 3 -17.330 -8.164 -5.247 23 HH21 ARG 3 1HH2 ARG 3 -16.129 -6.979 -2.185 24 HH22 ARG 3 2HH2 ARG 3 -16.733 -8.356 -3.047 25 H GLY 4 H GLY 4 -13.641 -1.669 -2.594 26 HA2 GLY 4 2HA GLY 4 -14.453 -2.958 -0.654 27 HA3 GLY 4 1HA GLY 4 -13.229 -4.155 -1.049 28 H TRP 5 H TRP 5 -10.953 -2.873 -1.348 29 HA TRP 5 HA TRP 5 -10.629 -1.225 1.072 30 HB2 TRP 5 2HB TRP 5 -8.442 -2.321 1.437 31 HB3 TRP 5 1HB TRP 5 -9.781 -3.461 1.529 32 HD1 TRP 5 HD TRP 5 -6.633 -2.707 -0.421 33 HE1 TRP 5 1HE TRP 5 -6.214 -4.592 -2.122 34 HE3 TRP 5 3HE TRP 5 -11.081 -5.191 0.006 35 HZ2 TRP 5 2HZ TRP 5 -7.587 -6.834 -3.148 36 HZ3 TRP 5 3HZ TRP 5 -11.448 -7.197 -1.370 37 HH2 TRP 5 HH TRP 5 -9.737 -8.000 -2.914 38 H ILE 6 H ILE 6 -8.123 -0.415 0.949 39 HA ILE 6 HA ILE 6 -8.106 1.574 -1.025 40 HB ILE 6 HB ILE 6 -5.637 0.589 0.391 41 HG12 ILE 6 2HG1 ILE 6 -6.773 2.756 1.814 42 HG13 ILE 6 1HG1 ILE 6 -8.069 1.592 1.560 43 HG21 ILE 6 1HG2 ILE 6 -6.478 3.124 -0.939 44 HG22 ILE 6 2HG2 ILE 6 -4.974 2.218 -1.093 45 HG23 ILE 6 3HG2 ILE 6 -5.285 3.168 0.359 46 HD11 ILE 6 3HD1 ILE 6 -6.579 -0.161 2.510 47 HD12 ILE 6 1HD1 ILE 6 -7.031 1.113 3.643 48 HD13 ILE 6 2HD1 ILE 6 -5.427 1.114 2.908 49 H LYS 7 H LYS 7 -6.451 1.919 -2.698 50 HA LYS 7 HA LYS 7 -5.860 -0.600 -4.093 51 HB2 LYS 7 2HB LYS 7 -5.660 0.875 -6.127 52 HB3 LYS 7 1HB LYS 7 -7.269 0.779 -5.424 53 HG2 LYS 7 2HG LYS 7 -5.816 2.968 -4.266 54 HG3 LYS 7 1HG LYS 7 -5.795 3.078 -6.027 55 HD2 LYS 7 2HD LYS 7 -8.251 2.822 -6.041 56 HD3 LYS 7 1HD LYS 7 -8.238 2.798 -4.276 57 HE2 LYS 7 2HE LYS 7 -6.789 5.071 -4.949 58 HE3 LYS 7 1HE LYS 7 -8.124 5.048 -6.101 59 HZ1 LYS 7 3HZ LYS 7 -8.615 4.634 -3.222 60 HZ2 LYS 7 1HZ LYS 7 -9.686 5.173 -4.417 61 HZ3 LYS 7 2HZ LYS 7 -8.464 6.196 -3.852 62 H DBB 8 H DBB 8 -4.448 2.422 -2.985 63 HA DBB 8 HA DBB 8 -1.884 1.922 -4.171 64 HB3 DBB 8 HB DBB 8 -1.764 0.271 -2.395 65 HG1 DBB 8 3HG2 DBB 8 0.166 0.962 -1.181 66 HG2 DBB 8 1HG2 DBB 8 -0.228 2.667 -1.402 67 HG3 DBB 8 2HG2 DBB 8 0.280 1.693 -2.782 68 H LEU 9 H LEU 9 -3.666 3.605 -1.609 69 HA LEU 9 HA LEU 9 -2.925 6.149 -2.618 70 HB2 LEU 9 2HB LEU 9 -4.445 7.011 -1.173 71 HB3 LEU 9 1HB LEU 9 -5.003 5.353 -1.204 72 HG LEU 9 HG LEU 9 -5.085 5.954 1.051 73 HD11 LEU 9 1HD1 LEU 9 -2.448 4.862 1.499 74 HD12 LEU 9 2HD1 LEU 9 -3.315 3.975 0.248 75 HD13 LEU 9 3HD1 LEU 9 -4.031 4.171 1.845 76 HD21 LEU 9 3HD2 LEU 9 -3.421 7.962 0.469 77 HD22 LEU 9 1HD2 LEU 9 -2.292 6.892 1.299 78 HD23 LEU 9 2HD2 LEU 9 -3.754 7.440 2.120 79 H DBB 10 H DBB 10 -1.366 4.003 -0.448 80 HA DBB 10 HA DBB 10 0.038 5.979 1.061 81 HB3 DBB 10 HB DBB 10 1.025 6.160 -1.269 82 HG1 DBB 10 3HG2 DBB 10 3.390 6.154 -0.500 83 HG2 DBB 10 1HG2 DBB 10 2.851 5.434 1.016 84 HG3 DBB 10 2HG2 DBB 10 2.296 7.044 0.558 85 H LYS 11 H LYS 11 1.446 5.104 2.619 86 HA LYS 11 HA LYS 11 2.136 2.374 2.775 87 HB2 LYS 11 2HB LYS 11 2.764 2.881 5.107 88 HB3 LYS 11 1HB LYS 11 3.402 4.060 3.970 89 HG2 LYS 11 2HG LYS 11 1.983 5.729 4.695 90 HG3 LYS 11 1HG LYS 11 0.815 4.586 5.363 91 HD2 LYS 11 2HD LYS 11 1.749 4.858 7.363 92 HD3 LYS 11 1HD LYS 11 3.238 4.149 6.734 93 HE2 LYS 11 2HE LYS 11 3.801 6.470 5.871 94 HE3 LYS 11 1HE LYS 11 2.468 7.055 6.865 95 HZ1 LYS 11 3HZ LYS 11 4.877 6.997 7.801 96 HZ2 LYS 11 1HZ LYS 11 4.532 5.366 8.096 97 HZ3 LYS 11 2HZ LYS 11 3.575 6.574 8.794 98 H ASP 12 H ASP 12 -0.771 4.045 3.533 99 HA ASP 12 HA ASP 12 -1.804 2.410 5.562 100 HB2 ASP 12 2HB ASP 12 -2.684 4.626 4.177 101 HB3 ASP 12 1HB ASP 12 -3.807 3.374 3.656 102 H CYS 13 H CYS 13 -1.288 1.786 2.231 103 HA CYS 13 HA CYS 13 -3.304 -0.177 1.841 104 HB2 CYS 13 2HB CYS 13 -0.673 0.217 0.401 105 HB3 CYS 13 1HB CYS 13 -1.994 -0.804 -0.155 106 HA PRO 14 HA PRO 14 -1.763 -3.705 3.990 107 HB2 PRO 14 2HB PRO 14 -2.436 -5.253 1.552 108 HB3 PRO 14 1HB PRO 14 -2.963 -5.499 3.220 109 HG2 PRO 14 2HG PRO 14 -4.623 -4.479 1.403 110 HG3 PRO 14 1HG PRO 14 -4.621 -3.887 3.075 111 HD2 PRO 14 2HD PRO 14 -3.469 -2.637 0.617 112 HD3 PRO 14 1HD PRO 14 -4.279 -1.872 2.000 113 H ASN 15 H ASN 15 -1.105 -4.135 0.555 114 HA ASN 15 HA ASN 15 1.721 -3.917 0.836 115 HB2 ASN 15 2HB ASN 15 1.094 -6.237 1.807 116 HB3 ASN 15 1HB ASN 15 0.821 -6.697 0.129 117 HD21 ASN 15 1HD2 ASN 15 2.699 -7.992 1.594 118 HD22 ASN 15 2HD2 ASN 15 4.280 -7.578 1.035 119 H VAL 16 H VAL 16 -0.980 -5.160 -1.068 120 HA VAL 16 HA VAL 16 -1.335 -5.309 -3.320 121 HB VAL 16 HB VAL 16 -1.770 -2.952 -2.952 122 HG11 VAL 16 1HG1 VAL 16 0.035 -1.286 -3.503 123 HG12 VAL 16 2HG1 VAL 16 1.186 -2.617 -3.397 124 HG13 VAL 16 3HG1 VAL 16 0.238 -2.157 -1.984 125 HG21 VAL 16 3HG2 VAL 16 -1.467 -4.092 -5.335 126 HG22 VAL 16 1HG2 VAL 16 -0.227 -2.847 -5.480 127 HG23 VAL 16 2HG2 VAL 16 -1.899 -2.393 -5.151 128 H ILE 17 H ILE 17 0.616 -6.945 -3.023 129 HA ILE 17 HA ILE 17 2.276 -8.028 -4.119 130 HB ILE 17 HB ILE 17 2.110 -5.781 -6.131 131 HG12 ILE 17 2HG1 ILE 17 0.005 -6.817 -6.193 132 HG13 ILE 17 1HG1 ILE 17 0.917 -7.639 -7.453 133 HG21 ILE 17 1HG2 ILE 17 3.154 -7.486 -7.649 134 HG22 ILE 17 2HG2 ILE 17 3.476 -8.461 -6.216 135 HG23 ILE 17 3HG2 ILE 17 4.210 -6.865 -6.380 136 HD11 ILE 17 3HD1 ILE 17 1.359 -9.485 -5.879 137 HD12 ILE 17 1HD1 ILE 17 -0.358 -9.242 -6.202 138 HD13 ILE 17 2HD1 ILE 17 0.344 -8.672 -4.687 139 H SER 18 H SER 18 4.541 -7.965 -4.492 140 HA SER 18 HA SER 18 5.838 -5.784 -3.015 141 HB2 SER 18 2HB SER 18 7.710 -7.361 -2.699 142 HB3 SER 18 1HB SER 18 6.190 -8.039 -2.112 143 HG SER 18 HG SER 18 7.297 -8.561 -4.672 144 H SER 19 H SER 19 5.109 -5.244 -5.649 145 HA SER 19 HA SER 19 7.521 -4.281 -6.718 146 HB2 SER 19 2HB SER 19 7.569 -5.650 -8.822 147 HB3 SER 19 1HB SER 19 8.006 -6.552 -7.370 148 HG SER 19 HG SER 19 5.521 -6.581 -8.738 149 H ILE 20 H ILE 20 6.186 -2.434 -6.729 150 HA ILE 20 HA ILE 20 4.868 -0.863 -7.696 151 HB ILE 20 HB ILE 20 5.210 -2.738 -10.021 152 HG12 ILE 20 2HG1 ILE 20 6.244 -0.013 -9.251 153 HG13 ILE 20 1HG1 ILE 20 7.165 -1.482 -9.551 154 HG21 ILE 20 1HG2 ILE 20 4.141 -0.983 -11.441 155 HG22 ILE 20 2HG2 ILE 20 3.581 -0.202 -9.964 156 HG23 ILE 20 3HG2 ILE 20 3.023 -1.823 -10.369 157 HD11 ILE 20 3HD1 ILE 20 6.153 -1.232 -11.961 158 HD12 ILE 20 1HD1 ILE 20 7.581 -0.321 -11.468 159 HD13 ILE 20 2HD1 ILE 20 5.997 0.457 -11.474 160 H CYS 21 H CYS 21 2.690 -0.366 -8.193 161 HA CYS 21 HA CYS 21 0.811 -2.027 -6.920 162 HB2 CYS 21 2HB CYS 21 0.474 0.411 -8.655 163 HB3 CYS 21 1HB CYS 21 -0.871 -0.389 -7.852 164 H ALA 22 H ALA 22 1.146 -1.108 -10.310 165 HA ALA 22 HA ALA 22 0.642 -3.653 -11.358 166 HB1 ALA 22 1HB ALA 22 -1.693 -2.822 -12.369 167 HB2 ALA 22 2HB ALA 22 -1.754 -2.012 -10.804 168 HB3 ALA 22 3HB ALA 22 -1.571 -3.764 -10.884 169 H GLY 23 H GLY 23 1.954 -3.414 -13.052 170 HA2 GLY 23 2HA GLY 23 1.937 -0.906 -14.557 171 HA3 GLY 23 1HA GLY 23 3.129 -2.189 -14.695 172 H THR 24 H THR 24 -0.416 -2.279 -14.930 173 HA THR 24 HA THR 24 -0.276 -2.797 -17.778 174 HB THR 24 HB THR 24 -1.805 -4.854 -16.284 175 HG1 THR 24 1HG THR 24 -0.144 -5.709 -15.363 176 HG21 THR 24 3HG2 THR 24 -1.756 -4.892 -18.716 177 HG22 THR 24 1HG2 THR 24 -0.990 -6.325 -18.034 178 HG23 THR 24 2HG2 THR 24 0.002 -5.020 -18.683 179 H ILE 25 H ILE 25 -1.440 -0.769 -16.035 180 HA ILE 25 HA ILE 25 -4.217 -1.007 -16.956 181 HB ILE 25 HB ILE 25 -3.484 0.074 -14.234 182 HG12 ILE 25 2HG1 ILE 25 -4.782 -2.564 -14.953 183 HG13 ILE 25 1HG1 ILE 25 -3.133 -2.369 -14.366 184 HG21 ILE 25 1HG2 ILE 25 -5.647 0.650 -13.963 185 HG22 ILE 25 2HG2 ILE 25 -6.241 -0.730 -14.887 186 HG23 ILE 25 3HG2 ILE 25 -5.638 0.699 -15.726 187 HD11 ILE 25 3HD1 ILE 25 -5.708 -1.990 -12.895 188 HD12 ILE 25 1HD1 ILE 25 -4.208 -1.262 -12.321 189 HD13 ILE 25 2HD1 ILE 25 -4.332 -3.013 -12.488 190 H ILE 26 H ILE 26 -2.370 1.401 -15.081 191 HA ILE 26 HA ILE 26 -2.158 3.222 -17.265 192 HB ILE 26 HB ILE 26 -3.541 5.022 -15.984 193 HG12 ILE 26 2HG1 ILE 26 -5.636 3.228 -15.297 194 HG13 ILE 26 1HG1 ILE 26 -4.182 2.665 -14.481 195 HG21 ILE 26 1HG2 ILE 26 -3.946 3.624 -18.237 196 HG22 ILE 26 2HG2 ILE 26 -5.062 4.851 -17.638 197 HG23 ILE 26 3HG2 ILE 26 -5.376 3.144 -17.323 198 HD11 ILE 26 3HD1 ILE 26 -5.895 4.809 -13.785 199 HD12 ILE 26 1HD1 ILE 26 -4.304 5.469 -14.164 200 HD13 ILE 26 2HD1 ILE 26 -4.468 4.213 -12.938 201 H THR 27 H THR 27 -2.484 3.226 -13.711 202 HA THR 27 HA THR 27 -0.498 5.238 -13.354 203 HB THR 27 HB THR 27 -0.632 4.230 -10.910 204 HG1 THR 27 1HG THR 27 -1.864 2.533 -10.924 205 HG21 THR 27 3HG2 THR 27 -1.538 6.408 -11.508 206 HG22 THR 27 1HG2 THR 27 -2.631 5.526 -10.440 207 HG23 THR 27 2HG2 THR 27 -2.979 5.632 -12.165 208 H ALA 28 H ALA 28 1.596 5.036 -12.521 209 HA ALA 28 HA ALA 28 2.921 2.562 -13.271 210 HB1 ALA 28 1HB ALA 28 4.245 4.214 -14.071 211 HB2 ALA 28 2HB ALA 28 4.946 4.110 -12.456 212 HB3 ALA 28 3HB ALA 28 3.756 5.360 -12.821 213 H CYS 29 H CYS 29 2.538 4.608 -10.410 214 HA CYS 29 HA CYS 29 2.788 4.203 -8.188 215 HB2 CYS 29 2HB CYS 29 1.173 2.386 -8.652 216 HB3 CYS 29 1HB CYS 29 2.515 1.305 -9.000 217 H LYS 30 H LYS 30 4.650 4.546 -7.196 218 HA LYS 30 HA LYS 30 7.024 3.078 -8.052 219 HB2 LYS 30 2HB LYS 30 6.806 5.680 -7.713 220 HB3 LYS 30 1HB LYS 30 7.110 5.273 -6.030 221 HG2 LYS 30 2HG LYS 30 9.281 5.124 -6.421 222 HG3 LYS 30 1HG LYS 30 9.004 3.907 -7.668 223 HD2 LYS 30 2HD LYS 30 8.871 5.518 -9.368 224 HD3 LYS 30 1HD LYS 30 8.634 6.836 -8.218 225 HE2 LYS 30 2HE LYS 30 10.920 6.585 -7.428 226 HE3 LYS 30 1HE LYS 30 11.164 5.218 -8.514 227 HZ1 LYS 30 3HZ LYS 30 12.010 6.833 -9.819 228 HZ2 LYS 30 1HZ LYS 30 11.102 8.068 -9.103 229 HZ3 LYS 30 2HZ LYS 30 10.391 7.052 -10.253 230 H ASN 31 H ASN 31 5.822 4.242 -4.932 231 HA ASN 31 HA ASN 31 5.661 1.745 -3.682 232 HB2 ASN 31 2HB ASN 31 8.104 1.699 -3.990 233 HB3 ASN 31 1HB ASN 31 8.243 3.218 -3.111 234 HD21 ASN 31 1HD2 ASN 31 7.924 -0.176 -2.892 235 HD22 ASN 31 2HD2 ASN 31 7.948 -0.297 -1.169 236 H CYS 32 H CYS 32 5.354 1.913 -1.336 237 HA CYS 32 HA CYS 32 4.701 4.648 -0.464 238 HB2 CYS 32 2HB CYS 32 3.010 2.163 -0.275 239 HB3 CYS 32 1HB CYS 32 2.764 3.532 0.800 240 H ALA 33 H ALA 33 4.779 1.335 0.861 241 HA ALA 33 HA ALA 33 6.083 2.397 3.265 242 HB1 ALA 33 1HB ALA 33 4.767 -0.278 2.801 243 HB2 ALA 33 2HB ALA 33 4.048 1.103 3.629 244 HB3 ALA 33 3HB ALA 33 5.447 0.287 4.327 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 -17.821 13.491 -9.364 2 H2 ALA 1 2HT ALA 1 -16.774 12.160 -9.096 3 H3 ALA 1 3HT ALA 1 -16.164 13.762 -9.025 4 HA ALA 1 HA ALA 1 -17.179 14.221 -7.064 5 HB1 ALA 1 2HB ALA 1 -18.968 12.906 -6.103 6 HB2 ALA 1 3HB ALA 1 -18.855 11.739 -7.420 7 HB3 ALA 1 1HB ALA 1 -19.394 13.387 -7.745 8 H ASP 2 H ASP 2 -16.348 13.610 -5.084 9 HA ASP 2 HA ASP 2 -14.560 11.285 -5.161 10 HB2 ASP 2 2HB ASP 2 -14.492 13.924 -3.800 11 HB3 ASP 2 1HB ASP 2 -13.792 12.563 -2.926 12 H ARG 3 H ARG 3 -15.760 9.564 -4.523 13 HA ARG 3 HA ARG 3 -16.523 9.454 -1.741 14 HB2 ARG 3 2HB ARG 3 -18.522 10.386 -3.024 15 HB3 ARG 3 1HB ARG 3 -18.641 8.806 -3.786 16 HG2 ARG 3 2HG ARG 3 -19.000 7.756 -1.640 17 HG3 ARG 3 1HG ARG 3 -18.773 9.301 -0.818 18 HD2 ARG 3 2HD ARG 3 -20.803 9.353 -2.928 19 HD3 ARG 3 1HD ARG 3 -21.179 8.258 -1.597 20 HE ARG 3 HE ARG 3 -21.130 11.132 -1.522 21 HH11 ARG 3 1HH1 ARG 3 -20.873 8.214 0.376 22 HH12 ARG 3 2HH1 ARG 3 -21.352 8.983 1.852 23 HH21 ARG 3 1HH2 ARG 3 -21.759 12.145 0.419 24 HH22 ARG 3 2HH2 ARG 3 -21.855 11.214 1.876 25 H GLY 4 H GLY 4 -16.158 7.473 -0.937 26 HA2 GLY 4 2HA GLY 4 -16.593 5.019 -1.420 27 HA3 GLY 4 1HA GLY 4 -15.658 5.308 -2.880 28 H TRP 5 H TRP 5 -13.570 4.822 -2.791 29 HA TRP 5 HA TRP 5 -12.076 5.194 -0.328 30 HB2 TRP 5 2HB TRP 5 -13.094 2.642 -1.050 31 HB3 TRP 5 1HB TRP 5 -11.354 2.604 -1.313 32 HD1 TRP 5 HD TRP 5 -9.811 3.263 0.898 33 HE1 TRP 5 1HE TRP 5 -10.259 2.781 3.385 34 HE3 TRP 5 3HE TRP 5 -14.842 2.377 0.662 35 HZ2 TRP 5 2HZ TRP 5 -12.453 2.113 5.031 36 HZ3 TRP 5 3HZ TRP 5 -16.040 1.823 2.739 37 HH2 TRP 5 HH TRP 5 -14.869 1.694 4.877 38 H ILE 6 H ILE 6 -9.749 3.963 -0.939 39 HA ILE 6 HA ILE 6 -8.981 4.839 -3.624 40 HB ILE 6 HB ILE 6 -8.503 6.737 -2.143 41 HG12 ILE 6 2HG1 ILE 6 -6.062 6.938 -2.649 42 HG13 ILE 6 1HG1 ILE 6 -6.064 5.243 -3.128 43 HG21 ILE 6 1HG2 ILE 6 -6.832 6.548 -0.370 44 HG22 ILE 6 2HG2 ILE 6 -6.729 4.810 -0.653 45 HG23 ILE 6 3HG2 ILE 6 -8.229 5.518 -0.054 46 HD11 ILE 6 3HD1 ILE 6 -7.673 5.755 -4.897 47 HD12 ILE 6 1HD1 ILE 6 -6.186 6.690 -5.063 48 HD13 ILE 6 2HD1 ILE 6 -7.642 7.454 -4.422 49 H LYS 7 H LYS 7 -7.309 3.686 -4.530 50 HA LYS 7 HA LYS 7 -6.394 1.364 -2.973 51 HB2 LYS 7 2HB LYS 7 -5.912 0.365 -5.237 52 HB3 LYS 7 1HB LYS 7 -7.612 0.645 -4.885 53 HG2 LYS 7 2HG LYS 7 -6.286 2.878 -6.231 54 HG3 LYS 7 1HG LYS 7 -6.337 1.387 -7.171 55 HD2 LYS 7 2HD LYS 7 -8.531 1.587 -7.548 56 HD3 LYS 7 1HD LYS 7 -8.866 1.956 -5.855 57 HE2 LYS 7 2HE LYS 7 -9.497 3.929 -6.831 58 HE3 LYS 7 1HE LYS 7 -7.801 4.275 -6.496 59 HZ1 LYS 7 3HZ LYS 7 -8.173 4.939 -8.699 60 HZ2 LYS 7 1HZ LYS 7 -9.031 3.532 -9.083 61 HZ3 LYS 7 2HZ LYS 7 -7.360 3.461 -8.825 62 H DBB 8 H DBB 8 -4.310 1.155 -2.489 63 HA DBB 8 HA DBB 8 -2.154 1.869 -4.105 64 HB3 DBB 8 HB DBB 8 -1.821 0.250 -2.384 65 HG1 DBB 8 3HG2 DBB 8 0.106 0.984 -1.207 66 HG2 DBB 8 1HG2 DBB 8 -0.387 2.674 -1.316 67 HG3 DBB 8 2HG2 DBB 8 0.129 1.810 -2.765 68 H LEU 9 H LEU 9 -3.585 3.616 -1.353 69 HA LEU 9 HA LEU 9 -2.944 6.139 -2.496 70 HB2 LEU 9 2HB LEU 9 -4.014 7.111 -0.634 71 HB3 LEU 9 1HB LEU 9 -4.906 5.651 -1.009 72 HG LEU 9 HG LEU 9 -2.790 5.642 1.121 73 HD11 LEU 9 1HD1 LEU 9 -4.802 5.962 2.694 74 HD12 LEU 9 2HD1 LEU 9 -5.591 6.689 1.294 75 HD13 LEU 9 3HD1 LEU 9 -4.100 7.387 1.927 76 HD21 LEU 9 3HD2 LEU 9 -3.394 3.477 0.979 77 HD22 LEU 9 1HD2 LEU 9 -4.907 3.847 0.153 78 HD23 LEU 9 2HD2 LEU 9 -4.802 3.996 1.906 79 H DBB 10 H DBB 10 -1.326 4.051 -0.237 80 HA DBB 10 HA DBB 10 0.358 6.028 0.913 81 HB3 DBB 10 HB DBB 10 1.144 5.950 -1.496 82 HG1 DBB 10 3HG2 DBB 10 3.549 5.873 -0.945 83 HG2 DBB 10 1HG2 DBB 10 3.140 5.252 0.653 84 HG3 DBB 10 2HG2 DBB 10 2.617 6.867 0.175 85 H LYS 11 H LYS 11 1.293 5.263 2.697 86 HA LYS 11 HA LYS 11 2.130 2.549 3.003 87 HB2 LYS 11 2HB LYS 11 2.618 3.201 5.332 88 HB3 LYS 11 1HB LYS 11 3.302 4.326 4.166 89 HG2 LYS 11 2HG LYS 11 0.937 5.521 4.638 90 HG3 LYS 11 1HG LYS 11 1.211 4.736 6.195 91 HD2 LYS 11 2HD LYS 11 2.394 6.601 6.644 92 HD3 LYS 11 1HD LYS 11 3.661 5.784 5.725 93 HE2 LYS 11 2HE LYS 11 3.194 7.016 3.780 94 HE3 LYS 11 1HE LYS 11 1.634 7.558 4.397 95 HZ1 LYS 11 3HZ LYS 11 4.280 8.368 5.477 96 HZ2 LYS 11 1HZ LYS 11 2.775 8.912 6.027 97 HZ3 LYS 11 2HZ LYS 11 3.303 9.313 4.471 98 H ASP 12 H ASP 12 -0.895 3.966 3.136 99 HA ASP 12 HA ASP 12 -1.956 2.293 5.251 100 HB2 ASP 12 2HB ASP 12 -2.989 4.513 3.559 101 HB3 ASP 12 1HB ASP 12 -4.164 3.367 4.201 102 H CYS 13 H CYS 13 -0.811 1.057 2.804 103 HA CYS 13 HA CYS 13 -3.213 -0.364 1.863 104 HB2 CYS 13 2HB CYS 13 -0.625 0.224 0.420 105 HB3 CYS 13 1HB CYS 13 -1.838 -0.900 -0.181 106 HA PRO 14 HA PRO 14 -0.583 -3.487 4.008 107 HB2 PRO 14 2HB PRO 14 -2.893 -4.416 5.420 108 HB3 PRO 14 1HB PRO 14 -1.504 -3.545 6.069 109 HG2 PRO 14 2HG PRO 14 -4.071 -2.532 5.908 110 HG3 PRO 14 1HG PRO 14 -2.601 -1.554 6.049 111 HD2 PRO 14 2HD PRO 14 -4.231 -2.194 3.627 112 HD3 PRO 14 1HD PRO 14 -3.399 -0.689 4.065 113 H ASN 15 H ASN 15 -3.492 -3.594 2.183 114 HA ASN 15 HA ASN 15 -3.816 -6.409 2.046 115 HB2 ASN 15 2HB ASN 15 -5.437 -4.429 1.388 116 HB3 ASN 15 1HB ASN 15 -4.695 -4.638 -0.195 117 HD21 ASN 15 1HD2 ASN 15 -6.884 -5.898 2.114 118 HD22 ASN 15 2HD2 ASN 15 -7.432 -7.251 1.191 119 H VAL 16 H VAL 16 -2.793 -4.201 -0.561 120 HA VAL 16 HA VAL 16 -1.244 -6.408 -1.715 121 HB VAL 16 HB VAL 16 -1.084 -4.823 -3.718 122 HG11 VAL 16 1HG1 VAL 16 -3.702 -5.263 -4.120 123 HG12 VAL 16 2HG1 VAL 16 -3.424 -6.338 -2.749 124 HG13 VAL 16 3HG1 VAL 16 -2.477 -6.528 -4.224 125 HG21 VAL 16 3HG2 VAL 16 -1.769 -2.802 -2.421 126 HG22 VAL 16 1HG2 VAL 16 -3.397 -3.474 -2.331 127 HG23 VAL 16 2HG2 VAL 16 -2.697 -3.062 -3.897 128 H ILE 17 H ILE 17 0.824 -6.465 -1.141 129 HA ILE 17 HA ILE 17 2.427 -4.054 -1.376 130 HB ILE 17 HB ILE 17 1.916 -3.898 0.931 131 HG12 ILE 17 2HG1 ILE 17 4.589 -5.293 0.713 132 HG13 ILE 17 1HG1 ILE 17 4.304 -3.597 0.337 133 HG21 ILE 17 1HG2 ILE 17 2.575 -6.831 1.118 134 HG22 ILE 17 2HG2 ILE 17 0.992 -6.080 1.324 135 HG23 ILE 17 3HG2 ILE 17 2.270 -5.782 2.503 136 HD11 ILE 17 3HD1 ILE 17 5.307 -3.951 2.557 137 HD12 ILE 17 1HD1 ILE 17 3.869 -4.852 3.037 138 HD13 ILE 17 2HD1 ILE 17 3.742 -3.139 2.631 139 H SER 18 H SER 18 4.484 -4.430 -1.987 140 HA SER 18 HA SER 18 6.107 -6.592 -1.625 141 HB2 SER 18 2HB SER 18 4.669 -8.153 -2.644 142 HB3 SER 18 1HB SER 18 4.205 -7.028 -3.920 143 HG SER 18 HG SER 18 6.008 -7.467 -4.990 144 H SER 19 H SER 19 4.892 -4.553 -4.260 145 HA SER 19 HA SER 19 7.229 -3.014 -4.449 146 HB2 SER 19 2HB SER 19 8.142 -3.799 -6.582 147 HB3 SER 19 1HB SER 19 8.199 -5.086 -5.379 148 HG SER 19 HG SER 19 6.349 -5.981 -6.327 149 H ILE 20 H ILE 20 4.569 -4.386 -6.318 150 HA ILE 20 HA ILE 20 3.826 -1.678 -7.151 151 HB ILE 20 HB ILE 20 3.625 -4.105 -8.930 152 HG12 ILE 20 2HG1 ILE 20 5.985 -3.390 -8.448 153 HG13 ILE 20 1HG1 ILE 20 5.513 -3.303 -10.138 154 HG21 ILE 20 1HG2 ILE 20 1.999 -2.638 -9.666 155 HG22 ILE 20 2HG2 ILE 20 3.386 -2.182 -10.653 156 HG23 ILE 20 3HG2 ILE 20 2.948 -1.212 -9.247 157 HD11 ILE 20 3HD1 ILE 20 5.091 -0.862 -9.807 158 HD12 ILE 20 1HD1 ILE 20 6.776 -1.359 -9.649 159 HD13 ILE 20 2HD1 ILE 20 5.816 -1.027 -8.207 160 H CYS 21 H CYS 21 1.579 -1.554 -7.861 161 HA CYS 21 HA CYS 21 -0.140 -3.438 -6.394 162 HB2 CYS 21 2HB CYS 21 -0.875 -0.576 -6.965 163 HB3 CYS 21 1HB CYS 21 -1.611 -1.679 -5.812 164 H ALA 22 H ALA 22 0.343 -1.623 -9.323 165 HA ALA 22 HA ALA 22 -0.542 -1.801 -11.409 166 HB1 ALA 22 1HB ALA 22 -0.940 -3.894 -12.161 167 HB2 ALA 22 2HB ALA 22 -2.050 -4.274 -10.844 168 HB3 ALA 22 3HB ALA 22 -0.308 -4.345 -10.577 169 H GLY 23 H GLY 23 -2.567 -1.678 -12.629 170 HA2 GLY 23 2HA GLY 23 -4.896 -1.093 -10.911 171 HA3 GLY 23 1HA GLY 23 -4.400 0.018 -12.178 172 H THR 24 H THR 24 -5.663 -0.097 -13.901 173 HA THR 24 HA THR 24 -6.406 -2.721 -14.948 174 HB THR 24 HB THR 24 -8.511 -0.589 -14.786 175 HG1 THR 24 1HG THR 24 -8.025 -2.579 -12.826 176 HG21 THR 24 3HG2 THR 24 -10.048 -2.463 -14.849 177 HG22 THR 24 1HG2 THR 24 -8.691 -3.590 -14.880 178 HG23 THR 24 2HG2 THR 24 -8.958 -2.493 -16.236 179 H ILE 25 H ILE 25 -4.722 -0.225 -15.640 180 HA ILE 25 HA ILE 25 -5.179 -0.352 -18.454 181 HB ILE 25 HB ILE 25 -5.294 2.347 -18.370 182 HG12 ILE 25 2HG1 ILE 25 -7.386 1.675 -16.353 183 HG13 ILE 25 1HG1 ILE 25 -5.738 1.916 -15.782 184 HG21 ILE 25 1HG2 ILE 25 -7.968 1.645 -18.445 185 HG22 ILE 25 2HG2 ILE 25 -7.127 0.173 -18.930 186 HG23 ILE 25 3HG2 ILE 25 -6.852 1.677 -19.810 187 HD11 ILE 25 3HD1 ILE 25 -7.705 3.853 -16.715 188 HD12 ILE 25 1HD1 ILE 25 -6.097 4.077 -17.403 189 HD13 ILE 25 2HD1 ILE 25 -6.313 4.063 -15.653 190 H ILE 26 H ILE 26 -3.766 1.710 -15.921 191 HA ILE 26 HA ILE 26 -1.138 1.334 -17.139 192 HB ILE 26 HB ILE 26 -2.109 4.069 -16.315 193 HG12 ILE 26 2HG1 ILE 26 -3.317 3.259 -18.323 194 HG13 ILE 26 1HG1 ILE 26 -2.257 4.620 -18.681 195 HG21 ILE 26 1HG2 ILE 26 0.165 4.192 -16.134 196 HG22 ILE 26 2HG2 ILE 26 -0.023 4.585 -17.843 197 HG23 ILE 26 3HG2 ILE 26 0.440 2.954 -17.359 198 HD11 ILE 26 3HD1 ILE 26 -2.369 2.187 -20.005 199 HD12 ILE 26 1HD1 ILE 26 -0.885 2.114 -19.054 200 HD13 ILE 26 2HD1 ILE 26 -1.143 3.441 -20.185 201 H THR 27 H THR 27 0.582 1.510 -15.691 202 HA THR 27 HA THR 27 0.161 0.668 -13.092 203 HB THR 27 HB THR 27 2.557 1.793 -12.796 204 HG1 THR 27 1HG THR 27 2.402 2.884 -14.821 205 HG21 THR 27 3HG2 THR 27 2.187 -0.609 -12.782 206 HG22 THR 27 1HG2 THR 27 3.600 -0.186 -13.748 207 HG23 THR 27 2HG2 THR 27 2.084 -0.610 -14.544 208 H ALA 28 H ALA 28 -0.650 1.641 -11.401 209 HA ALA 28 HA ALA 28 -0.307 4.555 -11.128 210 HB1 ALA 28 1HB ALA 28 -2.601 3.332 -9.767 211 HB2 ALA 28 2HB ALA 28 -2.667 3.316 -11.529 212 HB3 ALA 28 3HB ALA 28 -2.484 4.844 -10.668 213 H CYS 29 H CYS 29 1.264 2.205 -10.078 214 HA CYS 29 HA CYS 29 1.362 3.119 -7.313 215 HB2 CYS 29 2HB CYS 29 -0.089 1.236 -7.082 216 HB3 CYS 29 1HB CYS 29 0.908 0.253 -8.145 217 H LYS 30 H LYS 30 3.398 3.677 -6.957 218 HA LYS 30 HA LYS 30 5.533 2.338 -8.448 219 HB2 LYS 30 2HB LYS 30 5.329 4.997 -7.075 220 HB3 LYS 30 1HB LYS 30 6.899 4.304 -7.459 221 HG2 LYS 30 2HG LYS 30 6.491 5.657 -9.278 222 HG3 LYS 30 1HG LYS 30 5.945 4.080 -9.853 223 HD2 LYS 30 2HD LYS 30 3.647 4.926 -8.829 224 HD3 LYS 30 1HD LYS 30 4.374 6.502 -9.152 225 HE2 LYS 30 2HE LYS 30 4.703 5.893 -11.483 226 HE3 LYS 30 1HE LYS 30 4.046 4.286 -11.173 227 HZ1 LYS 30 3HZ LYS 30 1.917 5.181 -10.770 228 HZ2 LYS 30 1HZ LYS 30 2.470 5.930 -12.183 229 HZ3 LYS 30 2HZ LYS 30 2.496 6.769 -10.716 230 H ASN 31 H ASN 31 5.066 3.671 -5.202 231 HA ASN 31 HA ASN 31 5.681 1.333 -3.801 232 HB2 ASN 31 2HB ASN 31 7.955 1.840 -2.995 233 HB3 ASN 31 1HB ASN 31 7.928 1.582 -4.738 234 HD21 ASN 31 1HD2 ASN 31 9.140 3.475 -2.365 235 HD22 ASN 31 2HD2 ASN 31 9.473 4.908 -3.270 236 H CYS 32 H CYS 32 5.046 1.574 -1.751 237 HA CYS 32 HA CYS 32 4.753 4.320 -0.723 238 HB2 CYS 32 2HB CYS 32 2.982 1.904 -0.373 239 HB3 CYS 32 1HB CYS 32 2.853 3.332 0.645 240 H ALA 33 H ALA 33 4.804 0.970 0.510 241 HA ALA 33 HA ALA 33 6.105 1.863 2.945 242 HB1 ALA 33 1HB ALA 33 4.250 0.013 2.622 243 HB2 ALA 33 2HB ALA 33 5.476 -0.123 3.882 244 HB3 ALA 33 3HB ALA 33 5.657 -1.020 2.374 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 -12.781 -1.323 5.244 2 H2 ALA 1 2HT ALA 1 -13.828 -1.706 6.550 3 H3 ALA 1 3HT ALA 1 -12.232 -1.158 6.859 4 HA ALA 1 HA ALA 1 -14.070 0.467 7.171 5 HB1 ALA 1 2HB ALA 1 -12.681 2.208 5.766 6 HB2 ALA 1 3HB ALA 1 -11.569 0.848 5.609 7 HB3 ALA 1 1HB ALA 1 -12.006 1.448 7.208 8 H ASP 2 H ASP 2 -15.636 1.726 6.241 9 HA ASP 2 HA ASP 2 -16.523 0.887 3.595 10 HB2 ASP 2 2HB ASP 2 -17.923 1.315 5.867 11 HB3 ASP 2 1HB ASP 2 -18.086 2.898 5.110 12 H ARG 3 H ARG 3 -15.687 3.870 5.323 13 HA ARG 3 HA ARG 3 -15.778 5.362 2.811 14 HB2 ARG 3 2HB ARG 3 -16.067 6.022 5.637 15 HB3 ARG 3 1HB ARG 3 -14.981 7.124 4.802 16 HG2 ARG 3 2HG ARG 3 -16.831 8.231 4.240 17 HG3 ARG 3 1HG ARG 3 -17.072 6.949 3.052 18 HD2 ARG 3 2HD ARG 3 -19.098 6.897 4.111 19 HD3 ARG 3 1HD ARG 3 -18.208 5.734 5.094 20 HE ARG 3 HE ARG 3 -18.434 7.150 6.865 21 HH11 ARG 3 1HH1 ARG 3 -18.870 8.993 3.933 22 HH12 ARG 3 2HH1 ARG 3 -19.295 10.450 4.765 23 HH21 ARG 3 1HH2 ARG 3 -18.994 9.067 7.961 24 HH22 ARG 3 2HH2 ARG 3 -19.366 10.493 7.051 25 H GLY 4 H GLY 4 -13.972 4.967 1.649 26 HA2 GLY 4 2HA GLY 4 -11.585 6.213 2.123 27 HA3 GLY 4 1HA GLY 4 -11.393 4.634 2.868 28 H TRP 5 H TRP 5 -11.647 6.396 -0.106 29 HA TRP 5 HA TRP 5 -11.337 3.933 -1.664 30 HB2 TRP 5 2HB TRP 5 -12.942 6.070 -2.132 31 HB3 TRP 5 1HB TRP 5 -11.525 6.526 -3.073 32 HD1 TRP 5 HD TRP 5 -10.848 3.419 -3.926 33 HE1 TRP 5 1HE TRP 5 -12.274 2.374 -5.799 34 HE3 TRP 5 3HE TRP 5 -14.894 6.537 -3.703 35 HZ2 TRP 5 2HZ TRP 5 -14.782 2.814 -7.020 36 HZ3 TRP 5 3HZ TRP 5 -16.763 6.157 -5.259 37 HH2 TRP 5 HH TRP 5 -16.706 4.334 -6.881 38 H ILE 6 H ILE 6 -10.057 5.283 -3.902 39 HA ILE 6 HA ILE 6 -7.993 5.784 -4.713 40 HB ILE 6 HB ILE 6 -7.310 6.677 -1.914 41 HG12 ILE 6 2HG1 ILE 6 -7.947 8.751 -3.874 42 HG13 ILE 6 1HG1 ILE 6 -9.318 7.705 -3.518 43 HG21 ILE 6 1HG2 ILE 6 -6.029 7.028 -4.591 44 HG22 ILE 6 2HG2 ILE 6 -5.298 6.585 -3.048 45 HG23 ILE 6 3HG2 ILE 6 -5.810 8.247 -3.335 46 HD11 ILE 6 3HD1 ILE 6 -7.681 9.134 -1.439 47 HD12 ILE 6 1HD1 ILE 6 -9.165 8.217 -1.180 48 HD13 ILE 6 2HD1 ILE 6 -9.208 9.721 -2.101 49 H LYS 7 H LYS 7 -7.782 3.444 -4.923 50 HA LYS 7 HA LYS 7 -6.568 1.811 -2.988 51 HB2 LYS 7 2HB LYS 7 -6.149 0.246 -4.816 52 HB3 LYS 7 1HB LYS 7 -7.771 0.916 -4.933 53 HG2 LYS 7 2HG LYS 7 -5.625 2.287 -6.442 54 HG3 LYS 7 1HG LYS 7 -6.154 0.709 -7.025 55 HD2 LYS 7 2HD LYS 7 -7.946 1.642 -7.950 56 HD3 LYS 7 1HD LYS 7 -8.466 2.231 -6.369 57 HE2 LYS 7 2HE LYS 7 -7.193 4.254 -6.647 58 HE3 LYS 7 1HE LYS 7 -6.485 3.650 -8.145 59 HZ1 LYS 7 3HZ LYS 7 -8.466 3.910 -9.283 60 HZ2 LYS 7 1HZ LYS 7 -8.449 5.271 -8.278 61 HZ3 LYS 7 2HZ LYS 7 -9.408 3.937 -7.879 62 H DBB 8 H DBB 8 -4.454 1.220 -2.611 63 HA DBB 8 HA DBB 8 -2.243 1.849 -4.188 64 HB3 DBB 8 HB DBB 8 -2.070 0.172 -2.497 65 HG1 DBB 8 3HG2 DBB 8 -0.073 1.851 -2.897 66 HG2 DBB 8 1HG2 DBB 8 0.004 0.597 -1.663 67 HG3 DBB 8 2HG2 DBB 8 -0.384 2.253 -1.207 68 H LEU 9 H LEU 9 -3.660 3.605 -1.455 69 HA LEU 9 HA LEU 9 -2.955 6.126 -2.491 70 HB2 LEU 9 2HB LEU 9 -4.843 6.059 -1.111 71 HB3 LEU 9 1HB LEU 9 -4.000 5.184 0.152 72 HG LEU 9 HG LEU 9 -3.052 7.932 -0.487 73 HD11 LEU 9 1HD1 LEU 9 -5.285 8.532 -0.406 74 HD12 LEU 9 2HD1 LEU 9 -4.793 8.685 1.281 75 HD13 LEU 9 3HD1 LEU 9 -5.691 7.263 0.750 76 HD21 LEU 9 3HD2 LEU 9 -2.235 6.146 1.301 77 HD22 LEU 9 1HD2 LEU 9 -3.528 6.880 2.250 78 HD23 LEU 9 2HD2 LEU 9 -2.211 7.878 1.633 79 H DBB 10 H DBB 10 -1.455 4.113 -0.022 80 HA DBB 10 HA DBB 10 0.346 6.008 0.965 81 HB3 DBB 10 HB DBB 10 1.257 6.088 -1.275 82 HG1 DBB 10 3HG2 DBB 10 3.610 5.198 -0.832 83 HG2 DBB 10 1HG2 DBB 10 2.996 4.708 0.747 84 HG3 DBB 10 2HG2 DBB 10 2.974 6.407 0.281 85 H LYS 11 H LYS 11 1.405 5.251 2.701 86 HA LYS 11 HA LYS 11 2.172 2.553 3.082 87 HB2 LYS 11 2HB LYS 11 1.830 4.815 5.054 88 HB3 LYS 11 1HB LYS 11 2.539 3.257 5.454 89 HG2 LYS 11 2HG LYS 11 4.377 3.632 3.984 90 HG3 LYS 11 1HG LYS 11 3.620 5.082 3.321 91 HD2 LYS 11 2HD LYS 11 4.980 6.111 4.811 92 HD3 LYS 11 1HD LYS 11 3.655 5.748 5.919 93 HE2 LYS 11 2HE LYS 11 5.145 4.676 7.180 94 HE3 LYS 11 1HE LYS 11 5.196 3.441 5.923 95 HZ1 LYS 11 3HZ LYS 11 7.007 4.670 4.866 96 HZ2 LYS 11 1HZ LYS 11 7.408 4.208 6.444 97 HZ3 LYS 11 2HZ LYS 11 6.976 5.810 6.115 98 H ASP 12 H ASP 12 -0.871 3.983 3.203 99 HA ASP 12 HA ASP 12 -1.930 2.261 5.283 100 HB2 ASP 12 2HB ASP 12 -2.784 4.671 3.923 101 HB3 ASP 12 1HB ASP 12 -4.072 3.470 3.941 102 H CYS 13 H CYS 13 -0.785 1.110 2.799 103 HA CYS 13 HA CYS 13 -3.176 -0.306 1.822 104 HB2 CYS 13 2HB CYS 13 -0.637 0.496 0.417 105 HB3 CYS 13 1HB CYS 13 -1.641 -0.814 -0.194 106 HA PRO 14 HA PRO 14 -0.540 -3.508 3.765 107 HB2 PRO 14 2HB PRO 14 -2.397 -4.408 5.545 108 HB3 PRO 14 1HB PRO 14 -1.297 -3.069 5.872 109 HG2 PRO 14 2HG PRO 14 -4.173 -3.019 5.460 110 HG3 PRO 14 1HG PRO 14 -3.110 -1.730 6.039 111 HD2 PRO 14 2HD PRO 14 -4.211 -2.155 3.372 112 HD3 PRO 14 1HD PRO 14 -3.392 -0.725 4.031 113 H ASN 15 H ASN 15 -2.203 -3.699 1.325 114 HA ASN 15 HA ASN 15 -2.276 -6.476 1.053 115 HB2 ASN 15 2HB ASN 15 -4.722 -5.280 2.138 116 HB3 ASN 15 1HB ASN 15 -4.998 -6.255 0.699 117 HD21 ASN 15 1HD2 ASN 15 -5.374 -6.501 3.769 118 HD22 ASN 15 2HD2 ASN 15 -4.847 -8.115 4.087 119 H VAL 16 H VAL 16 -4.903 -4.487 -0.205 120 HA VAL 16 HA VAL 16 -5.483 -3.998 -2.361 121 HB VAL 16 HB VAL 16 -2.574 -3.238 -2.631 122 HG11 VAL 16 1HG1 VAL 16 -3.963 -1.355 -3.957 123 HG12 VAL 16 2HG1 VAL 16 -5.027 -2.742 -4.192 124 HG13 VAL 16 3HG1 VAL 16 -3.344 -2.824 -4.713 125 HG21 VAL 16 3HG2 VAL 16 -3.100 -2.074 -0.726 126 HG22 VAL 16 1HG2 VAL 16 -4.812 -1.963 -1.134 127 HG23 VAL 16 2HG2 VAL 16 -3.641 -0.931 -1.954 128 H ILE 17 H ILE 17 -5.876 -6.172 -3.025 129 HA ILE 17 HA ILE 17 -3.918 -7.122 -4.992 130 HB ILE 17 HB ILE 17 -5.486 -9.061 -3.319 131 HG12 ILE 17 2HG1 ILE 17 -2.903 -9.261 -2.397 132 HG13 ILE 17 1HG1 ILE 17 -3.100 -7.520 -2.568 133 HG21 ILE 17 1HG2 ILE 17 -4.505 -9.735 -5.519 134 HG22 ILE 17 2HG2 ILE 17 -3.942 -10.677 -4.139 135 HG23 ILE 17 3HG2 ILE 17 -2.910 -9.426 -4.832 136 HD11 ILE 17 3HD1 ILE 17 -3.948 -9.151 -0.459 137 HD12 ILE 17 1HD1 ILE 17 -5.409 -8.636 -1.300 138 HD13 ILE 17 2HD1 ILE 17 -4.271 -7.434 -0.695 139 H SER 18 H SER 18 -4.758 -7.668 -6.892 140 HA SER 18 HA SER 18 -7.251 -8.788 -7.402 141 HB2 SER 18 2HB SER 18 -8.033 -6.452 -8.582 142 HB3 SER 18 1HB SER 18 -8.603 -7.010 -7.010 143 HG SER 18 HG SER 18 -7.837 -5.103 -6.459 144 H SER 19 H SER 19 -4.802 -6.535 -8.564 145 HA SER 19 HA SER 19 -4.039 -8.136 -10.733 146 HB2 SER 19 2HB SER 19 -4.855 -6.618 -12.588 147 HB3 SER 19 1HB SER 19 -6.105 -7.586 -11.806 148 HG SER 19 HG SER 19 -5.508 -4.859 -11.296 149 H ILE 20 H ILE 20 -2.060 -7.533 -9.726 150 HA ILE 20 HA ILE 20 -0.132 -6.340 -9.524 151 HB ILE 20 HB ILE 20 -1.193 -4.656 -11.785 152 HG12 ILE 20 2HG1 ILE 20 0.393 -7.223 -11.923 153 HG13 ILE 20 1HG1 ILE 20 -1.322 -7.076 -12.292 154 HG21 ILE 20 1HG2 ILE 20 0.859 -3.762 -11.959 155 HG22 ILE 20 2HG2 ILE 20 1.664 -5.292 -11.609 156 HG23 ILE 20 3HG2 ILE 20 1.048 -4.295 -10.288 157 HD11 ILE 20 3HD1 ILE 20 1.000 -5.922 -13.801 158 HD12 ILE 20 1HD1 ILE 20 -0.664 -5.400 -14.061 159 HD13 ILE 20 2HD1 ILE 20 -0.209 -7.077 -14.361 160 H CYS 21 H CYS 21 -2.118 -5.617 -7.775 161 HA CYS 21 HA CYS 21 -2.792 -3.988 -6.344 162 HB2 CYS 21 2HB CYS 21 -0.260 -2.653 -7.304 163 HB3 CYS 21 1HB CYS 21 -1.127 -2.294 -5.825 164 H ALA 22 H ALA 22 -3.434 -3.761 -9.331 165 HA ALA 22 HA ALA 22 -4.555 -2.365 -10.723 166 HB1 ALA 22 1HB ALA 22 -5.252 -0.428 -8.616 167 HB2 ALA 22 2HB ALA 22 -5.715 -2.101 -8.301 168 HB3 ALA 22 3HB ALA 22 -6.285 -1.288 -9.759 169 H GLY 23 H GLY 23 -4.618 -0.177 -11.662 170 HA2 GLY 23 2HA GLY 23 -3.704 1.941 -12.072 171 HA3 GLY 23 1HA GLY 23 -2.503 1.641 -10.824 172 H THR 24 H THR 24 -0.501 1.370 -11.518 173 HA THR 24 HA THR 24 0.064 1.115 -14.315 174 HB THR 24 HB THR 24 1.467 2.487 -12.838 175 HG1 THR 24 1HG THR 24 2.913 0.272 -13.855 176 HG21 THR 24 3HG2 THR 24 3.059 1.469 -11.311 177 HG22 THR 24 1HG2 THR 24 2.334 -0.114 -11.598 178 HG23 THR 24 2HG2 THR 24 1.399 1.154 -10.806 179 H ILE 25 H ILE 25 1.434 -0.536 -15.252 180 HA ILE 25 HA ILE 25 1.192 -3.145 -13.909 181 HB ILE 25 HB ILE 25 0.888 -4.183 -16.123 182 HG12 ILE 25 2HG1 ILE 25 -0.036 -2.227 -17.791 183 HG13 ILE 25 1HG1 ILE 25 1.299 -1.401 -16.994 184 HG21 ILE 25 1HG2 ILE 25 -1.372 -3.950 -16.076 185 HG22 ILE 25 2HG2 ILE 25 -1.299 -2.189 -15.995 186 HG23 ILE 25 3HG2 ILE 25 -0.989 -3.152 -14.550 187 HD11 ILE 25 3HD1 ILE 25 1.428 -3.140 -19.165 188 HD12 ILE 25 1HD1 ILE 25 2.095 -4.036 -17.801 189 HD13 ILE 25 2HD1 ILE 25 2.774 -2.470 -18.243 190 H ILE 26 H ILE 26 3.102 -4.034 -13.524 191 HA ILE 26 HA ILE 26 5.264 -3.703 -15.478 192 HB ILE 26 HB ILE 26 5.740 -3.421 -12.513 193 HG12 ILE 26 2HG1 ILE 26 6.349 -0.983 -13.575 194 HG13 ILE 26 1HG1 ILE 26 4.948 -1.433 -14.542 195 HG21 ILE 26 1HG2 ILE 26 7.958 -2.797 -13.110 196 HG22 ILE 26 2HG2 ILE 26 7.547 -2.746 -14.824 197 HG23 ILE 26 3HG2 ILE 26 7.582 -4.288 -13.971 198 HD11 ILE 26 3HD1 ILE 26 4.520 -0.087 -12.444 199 HD12 ILE 26 1HD1 ILE 26 4.925 -1.552 -11.547 200 HD13 ILE 26 2HD1 ILE 26 3.557 -1.550 -12.660 201 H THR 27 H THR 27 4.821 -5.172 -12.256 202 HA THR 27 HA THR 27 4.936 -7.837 -13.306 203 HB THR 27 HB THR 27 7.159 -7.368 -11.403 204 HG1 THR 27 1HG THR 27 7.430 -6.697 -14.141 205 HG21 THR 27 3HG2 THR 27 8.317 -8.982 -12.797 206 HG22 THR 27 1HG2 THR 27 6.966 -8.986 -13.932 207 HG23 THR 27 2HG2 THR 27 6.742 -9.595 -12.291 208 H ALA 28 H ALA 28 5.936 -6.295 -10.250 209 HA ALA 28 HA ALA 28 3.776 -7.786 -8.906 210 HB1 ALA 28 1HB ALA 28 6.633 -7.412 -8.171 211 HB2 ALA 28 2HB ALA 28 5.601 -8.835 -8.018 212 HB3 ALA 28 3HB ALA 28 5.438 -7.500 -6.877 213 H CYS 29 H CYS 29 3.923 -4.999 -10.026 214 HA CYS 29 HA CYS 29 3.226 -2.913 -9.518 215 HB2 CYS 29 2HB CYS 29 1.400 -2.759 -8.155 216 HB3 CYS 29 1HB CYS 29 1.459 -4.503 -8.349 217 H LYS 30 H LYS 30 4.023 -1.080 -8.619 218 HA LYS 30 HA LYS 30 6.428 -1.255 -7.145 219 HB2 LYS 30 2HB LYS 30 5.673 0.586 -8.764 220 HB3 LYS 30 1HB LYS 30 4.765 1.241 -7.408 221 HG2 LYS 30 2HG LYS 30 6.577 2.227 -6.606 222 HG3 LYS 30 1HG LYS 30 7.456 0.697 -6.592 223 HD2 LYS 30 2HD LYS 30 7.087 2.251 -9.130 224 HD3 LYS 30 1HD LYS 30 8.390 2.640 -8.006 225 HE2 LYS 30 2HE LYS 30 9.612 0.934 -8.745 226 HE3 LYS 30 1HE LYS 30 8.287 -0.196 -8.468 227 HZ1 LYS 30 3HZ LYS 30 9.271 0.340 -10.872 228 HZ2 LYS 30 1HZ LYS 30 8.043 1.503 -10.813 229 HZ3 LYS 30 2HZ LYS 30 7.668 -0.134 -10.617 230 H ASN 31 H ASN 31 3.101 -0.793 -6.230 231 HA ASN 31 HA ASN 31 2.054 -0.652 -4.215 232 HB2 ASN 31 2HB ASN 31 3.863 -2.658 -3.973 233 HB3 ASN 31 1HB ASN 31 4.386 -1.601 -2.665 234 HD21 ASN 31 1HD2 ASN 31 3.750 -2.987 -1.054 235 HD22 ASN 31 2HD2 ASN 31 2.091 -3.304 -0.686 236 H CYS 32 H CYS 32 2.808 -0.050 -1.679 237 HA CYS 32 HA CYS 32 4.122 2.575 -1.956 238 HB2 CYS 32 2HB CYS 32 1.615 1.758 -0.580 239 HB3 CYS 32 1HB CYS 32 2.606 2.975 0.210 240 H ALA 33 H ALA 33 3.501 -0.166 0.193 241 HA ALA 33 HA ALA 33 5.332 0.713 2.209 242 HB1 ALA 33 1HB ALA 33 3.285 -1.009 2.249 243 HB2 ALA 33 2HB ALA 33 4.597 -1.048 3.428 244 HB3 ALA 33 3HB ALA 33 4.615 -2.150 2.052 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 -10.696 13.749 -12.908 2 H2 ALA 1 2HT ALA 1 -12.101 13.337 -13.804 3 H3 ALA 1 3HT ALA 1 -10.704 12.344 -13.888 4 HA ALA 1 HA ALA 1 -10.963 11.558 -11.777 5 HB1 ALA 1 2HB ALA 1 -11.971 12.634 -10.059 6 HB2 ALA 1 3HB ALA 1 -13.271 13.264 -11.070 7 HB3 ALA 1 1HB ALA 1 -11.685 14.037 -11.090 8 H ASP 2 H ASP 2 -11.650 9.951 -13.345 9 HA ASP 2 HA ASP 2 -14.532 9.740 -13.774 10 HB2 ASP 2 2HB ASP 2 -12.115 8.563 -15.037 11 HB3 ASP 2 1HB ASP 2 -13.570 7.570 -15.028 12 H ARG 3 H ARG 3 -12.006 7.359 -12.958 13 HA ARG 3 HA ARG 3 -13.914 5.768 -11.496 14 HB2 ARG 3 2HB ARG 3 -11.009 5.485 -12.187 15 HB3 ARG 3 1HB ARG 3 -11.733 4.439 -10.973 16 HG2 ARG 3 2HG ARG 3 -12.584 3.132 -12.541 17 HG3 ARG 3 1HG ARG 3 -13.405 4.501 -13.292 18 HD2 ARG 3 2HD ARG 3 -10.482 4.021 -13.741 19 HD3 ARG 3 1HD ARG 3 -11.695 3.153 -14.682 20 HE ARG 3 HE ARG 3 -12.445 5.741 -14.935 21 HH11 ARG 3 1HH1 ARG 3 -9.430 4.062 -15.456 22 HH12 ARG 3 2HH1 ARG 3 -8.903 5.139 -16.706 23 HH21 ARG 3 1HH2 ARG 3 -11.754 7.157 -16.579 24 HH22 ARG 3 2HH2 ARG 3 -10.222 6.896 -17.343 25 H GLY 4 H GLY 4 -14.517 6.362 -9.519 26 HA2 GLY 4 2HA GLY 4 -12.679 7.851 -7.813 27 HA3 GLY 4 1HA GLY 4 -14.384 7.561 -7.503 28 H TRP 5 H TRP 5 -11.462 5.565 -7.973 29 HA TRP 5 HA TRP 5 -12.286 4.005 -5.613 30 HB2 TRP 5 2HB TRP 5 -12.047 2.963 -8.031 31 HB3 TRP 5 1HB TRP 5 -10.337 2.930 -7.609 32 HD1 TRP 5 HD TRP 5 -10.340 1.965 -4.686 33 HE1 TRP 5 1HE TRP 5 -11.187 -0.379 -4.041 34 HE3 TRP 5 3HE TRP 5 -13.282 1.015 -8.758 35 HZ2 TRP 5 2HZ TRP 5 -12.877 -2.368 -5.117 36 HZ3 TRP 5 3HZ TRP 5 -14.478 -1.132 -8.873 37 HH2 TRP 5 HH TRP 5 -14.279 -2.786 -7.090 38 H ILE 6 H ILE 6 -10.948 3.890 -3.913 39 HA ILE 6 HA ILE 6 -8.369 5.274 -4.120 40 HB ILE 6 HB ILE 6 -9.828 4.459 -1.605 41 HG12 ILE 6 2HG1 ILE 6 -9.716 7.309 -2.366 42 HG13 ILE 6 1HG1 ILE 6 -10.755 6.309 -3.376 43 HG21 ILE 6 1HG2 ILE 6 -8.179 5.436 -0.422 44 HG22 ILE 6 2HG2 ILE 6 -7.931 6.709 -1.618 45 HG23 ILE 6 3HG2 ILE 6 -7.225 5.112 -1.870 46 HD11 ILE 6 3HD1 ILE 6 -12.165 7.119 -1.719 47 HD12 ILE 6 1HD1 ILE 6 -10.968 6.876 -0.448 48 HD13 ILE 6 2HD1 ILE 6 -11.772 5.486 -1.179 49 H LYS 7 H LYS 7 -6.771 3.907 -4.626 50 HA LYS 7 HA LYS 7 -6.350 1.592 -2.894 51 HB2 LYS 7 2HB LYS 7 -5.870 0.117 -4.779 52 HB3 LYS 7 1HB LYS 7 -7.524 0.710 -4.858 53 HG2 LYS 7 2HG LYS 7 -5.691 2.418 -6.313 54 HG3 LYS 7 1HG LYS 7 -5.651 0.752 -6.891 55 HD2 LYS 7 2HD LYS 7 -8.033 0.768 -7.251 56 HD3 LYS 7 1HD LYS 7 -8.170 2.369 -6.520 57 HE2 LYS 7 2HE LYS 7 -6.755 3.280 -8.323 58 HE3 LYS 7 1HE LYS 7 -6.702 1.682 -9.065 59 HZ1 LYS 7 3HZ LYS 7 -8.409 2.663 -10.207 60 HZ2 LYS 7 1HZ LYS 7 -8.942 3.573 -8.883 61 HZ3 LYS 7 2HZ LYS 7 -9.277 1.917 -8.962 62 H DBB 8 H DBB 8 -4.238 1.182 -2.453 63 HA DBB 8 HA DBB 8 -2.045 1.872 -4.036 64 HB3 DBB 8 HB DBB 8 -1.803 0.228 -2.308 65 HG1 DBB 8 3HG2 DBB 8 0.166 0.884 -1.150 66 HG2 DBB 8 1HG2 DBB 8 -0.241 2.592 -1.293 67 HG3 DBB 8 2HG2 DBB 8 0.216 1.675 -2.726 68 H LEU 9 H LEU 9 -3.691 3.681 -1.487 69 HA LEU 9 HA LEU 9 -2.856 6.159 -2.574 70 HB2 LEU 9 2HB LEU 9 -3.871 7.114 -0.452 71 HB3 LEU 9 1HB LEU 9 -4.929 6.226 -1.526 72 HG LEU 9 HG LEU 9 -5.057 5.887 1.066 73 HD11 LEU 9 1HD1 LEU 9 -5.286 3.244 0.256 74 HD12 LEU 9 2HD1 LEU 9 -5.587 4.185 -1.203 75 HD13 LEU 9 3HD1 LEU 9 -6.550 4.472 0.246 76 HD21 LEU 9 3HD2 LEU 9 -2.920 3.884 0.359 77 HD22 LEU 9 1HD2 LEU 9 -3.719 4.079 1.917 78 HD23 LEU 9 2HD2 LEU 9 -2.652 5.345 1.307 79 H DBB 10 H DBB 10 -1.201 4.031 -0.548 80 HA DBB 10 HA DBB 10 0.212 6.039 0.956 81 HB3 DBB 10 HB DBB 10 1.243 6.277 -1.252 82 HG1 DBB 10 3HG2 DBB 10 3.632 5.690 -0.621 83 HG2 DBB 10 1HG2 DBB 10 2.971 5.060 0.886 84 HG3 DBB 10 2HG2 DBB 10 2.764 6.761 0.476 85 H LYS 11 H LYS 11 1.344 5.229 2.660 86 HA LYS 11 HA LYS 11 2.110 2.493 2.886 87 HB2 LYS 11 2HB LYS 11 1.849 4.557 5.078 88 HB3 LYS 11 1HB LYS 11 2.764 3.059 5.155 89 HG2 LYS 11 2HG LYS 11 4.364 3.849 3.602 90 HG3 LYS 11 1HG LYS 11 3.361 5.235 3.172 91 HD2 LYS 11 2HD LYS 11 4.881 6.210 4.600 92 HD3 LYS 11 1HD LYS 11 3.575 5.805 5.715 93 HE2 LYS 11 2HE LYS 11 4.961 4.548 6.910 94 HE3 LYS 11 1HE LYS 11 5.302 3.553 5.495 95 HZ1 LYS 11 3HZ LYS 11 6.676 6.126 6.022 96 HZ2 LYS 11 1HZ LYS 11 7.105 4.932 4.902 97 HZ3 LYS 11 2HZ LYS 11 7.274 4.638 6.559 98 H ASP 12 H ASP 12 -0.881 3.969 3.136 99 HA ASP 12 HA ASP 12 -1.929 2.309 5.256 100 HB2 ASP 12 2HB ASP 12 -2.884 4.583 3.645 101 HB3 ASP 12 1HB ASP 12 -4.127 3.412 4.073 102 H CYS 13 H CYS 13 -0.822 1.027 2.813 103 HA CYS 13 HA CYS 13 -3.244 -0.392 1.922 104 HB2 CYS 13 2HB CYS 13 -0.644 0.049 0.439 105 HB3 CYS 13 1HB CYS 13 -1.977 -0.941 -0.143 106 HA PRO 14 HA PRO 14 -0.611 -3.578 3.929 107 HB2 PRO 14 2HB PRO 14 -2.283 -4.207 5.973 108 HB3 PRO 14 1HB PRO 14 -1.119 -2.884 6.052 109 HG2 PRO 14 2HG PRO 14 -4.025 -2.770 5.923 110 HG3 PRO 14 1HG PRO 14 -2.873 -1.476 6.286 111 HD2 PRO 14 2HD PRO 14 -4.231 -2.088 3.776 112 HD3 PRO 14 1HD PRO 14 -3.325 -0.635 4.233 113 H ASN 15 H ASN 15 -3.022 -3.655 1.910 114 HA ASN 15 HA ASN 15 -3.437 -6.544 2.192 115 HB2 ASN 15 2HB ASN 15 -5.425 -5.169 3.044 116 HB3 ASN 15 1HB ASN 15 -5.685 -4.716 1.362 117 HD21 ASN 15 1HD2 ASN 15 -7.474 -6.166 3.036 118 HD22 ASN 15 2HD2 ASN 15 -7.703 -7.722 2.320 119 H VAL 16 H VAL 16 -1.824 -6.677 0.533 120 HA VAL 16 HA VAL 16 -2.854 -6.989 -2.042 121 HB VAL 16 HB VAL 16 -2.901 -4.534 -2.108 122 HG11 VAL 16 1HG1 VAL 16 0.043 -4.306 -2.173 123 HG12 VAL 16 2HG1 VAL 16 -0.693 -4.557 -0.590 124 HG13 VAL 16 3HG1 VAL 16 -1.173 -3.176 -1.577 125 HG21 VAL 16 3HG2 VAL 16 -1.606 -4.240 -4.187 126 HG22 VAL 16 1HG2 VAL 16 -2.552 -5.730 -4.181 127 HG23 VAL 16 2HG2 VAL 16 -0.814 -5.788 -3.887 128 H ILE 17 H ILE 17 -1.718 -8.794 -2.398 129 HA ILE 17 HA ILE 17 1.097 -8.642 -2.854 130 HB ILE 17 HB ILE 17 1.290 -8.955 -0.502 131 HG12 ILE 17 2HG1 ILE 17 1.541 -11.672 -1.800 132 HG13 ILE 17 1HG1 ILE 17 2.738 -10.387 -1.915 133 HG21 ILE 17 1HG2 ILE 17 -1.098 -9.709 -0.228 134 HG22 ILE 17 2HG2 ILE 17 0.084 -10.534 0.790 135 HG23 ILE 17 3HG2 ILE 17 -0.549 -11.331 -0.651 136 HD11 ILE 17 3HD1 ILE 17 1.884 -11.812 0.595 137 HD12 ILE 17 1HD1 ILE 17 3.044 -10.487 0.519 138 HD13 ILE 17 2HD1 ILE 17 3.407 -12.022 -0.269 139 H SER 18 H SER 18 1.925 -10.576 -3.829 140 HA SER 18 HA SER 18 1.846 -12.559 -4.984 141 HB2 SER 18 2HB SER 18 -1.125 -12.775 -4.553 142 HB3 SER 18 1HB SER 18 0.048 -14.063 -4.820 143 HG SER 18 HG SER 18 0.343 -14.149 -2.751 144 H SER 19 H SER 19 -1.002 -10.476 -5.486 145 HA SER 19 HA SER 19 -0.871 -10.975 -8.354 146 HB2 SER 19 2HB SER 19 -2.828 -8.997 -7.627 147 HB3 SER 19 1HB SER 19 -3.077 -10.605 -8.306 148 HG SER 19 HG SER 19 -3.313 -9.732 -5.713 149 H ILE 20 H ILE 20 1.193 -9.390 -6.883 150 HA ILE 20 HA ILE 20 2.496 -7.570 -7.293 151 HB ILE 20 HB ILE 20 0.712 -7.228 -9.708 152 HG12 ILE 20 2HG1 ILE 20 3.519 -8.280 -9.755 153 HG13 ILE 20 1HG1 ILE 20 2.189 -9.359 -9.344 154 HG21 ILE 20 1HG2 ILE 20 3.184 -6.132 -10.276 155 HG22 ILE 20 2HG2 ILE 20 2.842 -5.588 -8.633 156 HG23 ILE 20 3HG2 ILE 20 1.698 -5.249 -9.930 157 HD11 ILE 20 3HD1 ILE 20 2.457 -9.667 -11.621 158 HD12 ILE 20 1HD1 ILE 20 2.745 -7.953 -11.920 159 HD13 ILE 20 2HD1 ILE 20 1.122 -8.519 -11.526 160 H CYS 21 H CYS 21 2.507 -5.648 -6.309 161 HA CYS 21 HA CYS 21 0.254 -4.583 -5.073 162 HB2 CYS 21 2HB CYS 21 2.718 -2.976 -5.750 163 HB3 CYS 21 1HB CYS 21 1.628 -2.763 -4.385 164 H ALA 22 H ALA 22 1.403 -4.155 -8.287 165 HA ALA 22 HA ALA 22 0.438 -3.143 -10.090 166 HB1 ALA 22 1HB ALA 22 -1.779 -2.761 -10.077 167 HB2 ALA 22 2HB ALA 22 -1.706 -1.766 -8.621 168 HB3 ALA 22 3HB ALA 22 -1.703 -3.525 -8.489 169 H GLY 23 H GLY 23 0.882 -1.268 -11.115 170 HA2 GLY 23 2HA GLY 23 0.718 1.311 -10.222 171 HA3 GLY 23 1HA GLY 23 2.278 0.755 -9.637 172 H THR 24 H THR 24 3.461 -0.570 -11.505 173 HA THR 24 HA THR 24 3.079 0.556 -14.132 174 HB THR 24 HB THR 24 5.416 1.471 -14.230 175 HG1 THR 24 1HG THR 24 6.093 0.348 -12.278 176 HG21 THR 24 3HG2 THR 24 3.529 3.000 -13.942 177 HG22 THR 24 1HG2 THR 24 4.976 3.563 -13.106 178 HG23 THR 24 2HG2 THR 24 3.663 2.822 -12.192 179 H ILE 25 H ILE 25 5.198 -0.111 -15.488 180 HA ILE 25 HA ILE 25 5.240 -2.965 -15.392 181 HB ILE 25 HB ILE 25 6.844 -2.797 -17.274 182 HG12 ILE 25 2HG1 ILE 25 6.452 0.133 -17.478 183 HG13 ILE 25 1HG1 ILE 25 7.572 -0.412 -16.233 184 HG21 ILE 25 1HG2 ILE 25 4.658 -0.872 -17.896 185 HG22 ILE 25 2HG2 ILE 25 4.240 -2.504 -17.375 186 HG23 ILE 25 3HG2 ILE 25 5.230 -2.264 -18.815 187 HD11 ILE 25 3HD1 ILE 25 8.984 -1.433 -17.815 188 HD12 ILE 25 1HD1 ILE 25 8.569 0.150 -18.475 189 HD13 ILE 25 2HD1 ILE 25 7.775 -1.300 -19.092 190 H ILE 26 H ILE 26 6.080 -2.769 -13.047 191 HA ILE 26 HA ILE 26 9.009 -2.587 -12.991 192 HB ILE 26 HB ILE 26 7.789 -1.243 -11.324 193 HG12 ILE 26 2HG1 ILE 26 9.264 -3.525 -9.998 194 HG13 ILE 26 1HG1 ILE 26 10.064 -2.222 -10.873 195 HG21 ILE 26 1HG2 ILE 26 6.179 -2.026 -9.972 196 HG22 ILE 26 2HG2 ILE 26 7.019 -3.549 -9.682 197 HG23 ILE 26 3HG2 ILE 26 6.067 -3.332 -11.151 198 HD11 ILE 26 3HD1 ILE 26 8.657 -0.728 -9.216 199 HD12 ILE 26 1HD1 ILE 26 10.212 -1.420 -8.756 200 HD13 ILE 26 2HD1 ILE 26 8.714 -2.194 -8.237 201 H THR 27 H THR 27 10.196 -4.214 -11.746 202 HA THR 27 HA THR 27 9.783 -6.797 -12.619 203 HB THR 27 HB THR 27 11.366 -7.476 -10.808 204 HG1 THR 27 1HG THR 27 11.576 -6.244 -9.144 205 HG21 THR 27 3HG2 THR 27 12.279 -6.602 -12.887 206 HG22 THR 27 1HG2 THR 27 13.261 -6.129 -11.500 207 HG23 THR 27 2HG2 THR 27 12.171 -4.962 -12.249 208 H ALA 28 H ALA 28 9.279 -5.714 -9.249 209 HA ALA 28 HA ALA 28 7.393 -7.935 -8.906 210 HB1 ALA 28 1HB ALA 28 8.789 -8.208 -7.147 211 HB2 ALA 28 2HB ALA 28 7.705 -7.030 -6.407 212 HB3 ALA 28 3HB ALA 28 9.238 -6.504 -7.100 213 H CYS 29 H CYS 29 7.670 -4.687 -7.486 214 HA CYS 29 HA CYS 29 5.283 -3.689 -8.541 215 HB2 CYS 29 2HB CYS 29 3.722 -3.990 -6.858 216 HB3 CYS 29 1HB CYS 29 4.517 -5.550 -6.911 217 H LYS 30 H LYS 30 4.968 -1.538 -8.011 218 HA LYS 30 HA LYS 30 7.209 -0.116 -7.080 219 HB2 LYS 30 2HB LYS 30 5.075 0.561 -8.557 220 HB3 LYS 30 1HB LYS 30 4.562 1.217 -7.009 221 HG2 LYS 30 2HG LYS 30 7.298 1.853 -7.981 222 HG3 LYS 30 1HG LYS 30 5.919 2.666 -8.723 223 HD2 LYS 30 2HD LYS 30 5.873 2.578 -5.787 224 HD3 LYS 30 1HD LYS 30 7.191 3.523 -6.482 225 HE2 LYS 30 2HE LYS 30 5.763 5.038 -7.467 226 HE3 LYS 30 1HE LYS 30 4.423 3.895 -7.528 227 HZ1 LYS 30 3HZ LYS 30 3.960 5.538 -5.880 228 HZ2 LYS 30 1HZ LYS 30 5.457 5.300 -5.126 229 HZ3 LYS 30 2HZ LYS 30 4.283 4.083 -5.080 230 H ASN 31 H ASN 31 4.127 -0.895 -5.564 231 HA ASN 31 HA ASN 31 3.402 -0.812 -3.407 232 HB2 ASN 31 2HB ASN 31 5.532 -2.301 -3.300 233 HB3 ASN 31 1HB ASN 31 6.261 -0.917 -2.494 234 HD21 ASN 31 1HD2 ASN 31 3.062 -2.447 -2.347 235 HD22 ASN 31 2HD2 ASN 31 3.060 -2.668 -0.634 236 H CYS 32 H CYS 32 3.693 0.370 -1.240 237 HA CYS 32 HA CYS 32 4.490 3.148 -1.809 238 HB2 CYS 32 2HB CYS 32 2.095 1.985 -0.574 239 HB3 CYS 32 1HB CYS 32 2.792 3.313 0.342 240 H ALA 33 H ALA 33 6.189 1.001 -0.756 241 HA ALA 33 HA ALA 33 7.064 2.382 1.668 242 HB1 ALA 33 1HB ALA 33 5.774 0.589 2.573 243 HB2 ALA 33 2HB ALA 33 7.476 0.182 2.783 244 HB3 ALA 33 3HB ALA 33 6.539 -0.580 1.499 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 -13.022 10.348 10.248 2 H2 ALA 1 2HT ALA 1 -13.877 11.331 9.131 3 H3 ALA 1 3HT ALA 1 -13.413 11.967 10.656 4 HA ALA 1 HA ALA 1 -11.913 12.845 9.197 5 HB1 ALA 1 2HB ALA 1 -9.876 12.059 10.009 6 HB2 ALA 1 3HB ALA 1 -10.447 10.393 10.105 7 HB3 ALA 1 1HB ALA 1 -11.028 11.593 11.260 8 H ASP 2 H ASP 2 -13.387 11.888 7.275 9 HA ASP 2 HA ASP 2 -13.396 11.112 5.137 10 HB2 ASP 2 2HB ASP 2 -11.200 12.449 5.189 11 HB3 ASP 2 1HB ASP 2 -10.396 10.886 5.302 12 H ARG 3 H ARG 3 -14.292 9.155 5.006 13 HA ARG 3 HA ARG 3 -12.542 6.822 5.302 14 HB2 ARG 3 2HB ARG 3 -14.096 7.298 7.336 15 HB3 ARG 3 1HB ARG 3 -15.374 6.702 6.286 16 HG2 ARG 3 2HG ARG 3 -14.598 4.907 7.664 17 HG3 ARG 3 1HG ARG 3 -14.098 4.601 5.999 18 HD2 ARG 3 2HD ARG 3 -11.869 5.101 6.448 19 HD3 ARG 3 1HD ARG 3 -12.266 5.994 7.916 20 HE ARG 3 HE ARG 3 -12.200 4.028 9.084 21 HH11 ARG 3 1HH1 ARG 3 -12.401 3.302 5.677 22 HH12 ARG 3 2HH1 ARG 3 -12.146 1.603 5.896 23 HH21 ARG 3 1HH2 ARG 3 -11.865 1.793 9.375 24 HH22 ARG 3 2HH2 ARG 3 -11.842 0.747 7.994 25 H GLY 4 H GLY 4 -12.557 7.077 2.943 26 HA2 GLY 4 2HA GLY 4 -15.083 6.272 1.670 27 HA3 GLY 4 1HA GLY 4 -13.703 6.981 0.847 28 H TRP 5 H TRP 5 -11.797 5.651 0.549 29 HA TRP 5 HA TRP 5 -11.686 2.916 1.149 30 HB2 TRP 5 2HB TRP 5 -13.593 2.712 -0.367 31 HB3 TRP 5 1HB TRP 5 -12.698 3.544 -1.634 32 HD1 TRP 5 HD TRP 5 -11.088 0.791 0.500 33 HE1 TRP 5 1HE TRP 5 -10.530 -1.204 -1.026 34 HE3 TRP 5 3HE TRP 5 -13.336 2.404 -3.799 35 HZ2 TRP 5 2HZ TRP 5 -10.982 -1.991 -3.699 36 HZ3 TRP 5 3HZ TRP 5 -13.226 0.971 -5.796 37 HH2 TRP 5 HH TRP 5 -12.073 -1.180 -5.745 38 H ILE 6 H ILE 6 -9.585 2.504 1.120 39 HA ILE 6 HA ILE 6 -7.776 4.182 -0.386 40 HB ILE 6 HB ILE 6 -7.060 1.780 1.292 41 HG12 ILE 6 2HG1 ILE 6 -6.615 4.307 2.609 42 HG13 ILE 6 1HG1 ILE 6 -8.312 4.153 2.165 43 HG21 ILE 6 1HG2 ILE 6 -5.064 2.257 0.392 44 HG22 ILE 6 2HG2 ILE 6 -5.047 3.595 1.542 45 HG23 ILE 6 3HG2 ILE 6 -5.568 3.867 -0.121 46 HD11 ILE 6 3HD1 ILE 6 -7.394 1.696 3.298 47 HD12 ILE 6 1HD1 ILE 6 -8.667 2.781 3.856 48 HD13 ILE 6 2HD1 ILE 6 -7.001 3.039 4.371 49 H LYS 7 H LYS 7 -6.969 3.726 -2.331 50 HA LYS 7 HA LYS 7 -7.070 0.930 -3.261 51 HB2 LYS 7 2HB LYS 7 -7.303 2.003 -5.587 52 HB3 LYS 7 1HB LYS 7 -8.717 1.985 -4.543 53 HG2 LYS 7 2HG LYS 7 -7.095 4.379 -4.211 54 HG3 LYS 7 1HG LYS 7 -7.702 4.171 -5.856 55 HD2 LYS 7 2HD LYS 7 -9.980 3.796 -4.851 56 HD3 LYS 7 1HD LYS 7 -9.296 4.295 -3.302 57 HE2 LYS 7 2HE LYS 7 -8.939 6.479 -4.025 58 HE3 LYS 7 1HE LYS 7 -9.009 6.029 -5.728 59 HZ1 LYS 7 3HZ LYS 7 -11.413 5.614 -4.117 60 HZ2 LYS 7 1HZ LYS 7 -11.264 6.063 -5.742 61 HZ3 LYS 7 2HZ LYS 7 -11.013 7.207 -4.521 62 H DBB 8 H DBB 8 -4.837 2.015 -1.951 63 HA DBB 8 HA DBB 8 -2.897 1.942 -4.148 64 HB3 DBB 8 HB DBB 8 -2.664 0.179 -2.477 65 HG1 DBB 8 3HG2 DBB 8 -0.344 0.444 -1.888 66 HG2 DBB 8 1HG2 DBB 8 -0.447 2.188 -2.122 67 HG3 DBB 8 2HG2 DBB 8 -0.601 1.104 -3.502 68 H LEU 9 H LEU 9 -3.565 3.676 -1.116 69 HA LEU 9 HA LEU 9 -2.642 6.137 -2.253 70 HB2 LEU 9 2HB LEU 9 -4.495 6.329 -0.837 71 HB3 LEU 9 1HB LEU 9 -3.765 5.332 0.406 72 HG LEU 9 HG LEU 9 -2.411 7.901 -0.221 73 HD11 LEU 9 1HD1 LEU 9 -4.019 8.961 1.492 74 HD12 LEU 9 2HD1 LEU 9 -5.130 7.675 1.018 75 HD13 LEU 9 3HD1 LEU 9 -4.544 8.824 -0.186 76 HD21 LEU 9 3HD2 LEU 9 -1.808 6.080 1.536 77 HD22 LEU 9 1HD2 LEU 9 -3.107 6.814 2.477 78 HD23 LEU 9 2HD2 LEU 9 -1.720 7.785 1.986 79 H DBB 10 H DBB 10 -1.115 3.647 -0.417 80 HA DBB 10 HA DBB 10 1.017 5.493 0.392 81 HB3 DBB 10 HB DBB 10 2.726 4.387 -0.696 82 HG1 DBB 10 3HG2 DBB 10 2.702 2.108 -1.508 83 HG2 DBB 10 1HG2 DBB 10 1.025 1.923 -1.008 84 HG3 DBB 10 2HG2 DBB 10 2.285 2.122 0.206 85 H LYS 11 H LYS 11 1.372 5.312 2.477 86 HA LYS 11 HA LYS 11 2.056 3.002 3.837 87 HB2 LYS 11 2HB LYS 11 1.697 4.282 5.897 88 HB3 LYS 11 1HB LYS 11 2.544 5.234 4.686 89 HG2 LYS 11 2HG LYS 11 1.048 6.833 5.007 90 HG3 LYS 11 1HG LYS 11 -0.156 5.777 4.265 91 HD2 LYS 11 2HD LYS 11 -1.186 6.167 6.265 92 HD3 LYS 11 1HD LYS 11 -0.225 4.754 6.710 93 HE2 LYS 11 2HE LYS 11 0.499 6.041 8.400 94 HE3 LYS 11 1HE LYS 11 1.534 6.778 7.178 95 HZ1 LYS 11 3HZ LYS 11 0.091 8.288 8.639 96 HZ2 LYS 11 1HZ LYS 11 -1.193 7.799 7.651 97 HZ3 LYS 11 2HZ LYS 11 0.138 8.596 6.977 98 H ASP 12 H ASP 12 -1.084 4.087 2.931 99 HA ASP 12 HA ASP 12 -2.424 2.440 4.919 100 HB2 ASP 12 2HB ASP 12 -3.277 4.491 2.935 101 HB3 ASP 12 1HB ASP 12 -4.459 3.280 3.420 102 H CYS 13 H CYS 13 -0.725 1.224 2.796 103 HA CYS 13 HA CYS 13 -2.759 -0.610 1.744 104 HB2 CYS 13 2HB CYS 13 -0.428 0.486 0.160 105 HB3 CYS 13 1HB CYS 13 -1.548 -0.752 -0.396 106 HA PRO 14 HA PRO 14 0.852 -2.689 3.982 107 HB2 PRO 14 2HB PRO 14 -1.418 -4.174 5.169 108 HB3 PRO 14 1HB PRO 14 0.005 -3.482 5.953 109 HG2 PRO 14 2HG PRO 14 -2.399 -2.351 6.220 110 HG3 PRO 14 1HG PRO 14 -0.930 -1.367 6.083 111 HD2 PRO 14 2HD PRO 14 -3.008 -1.972 4.016 112 HD3 PRO 14 1HD PRO 14 -2.148 -0.452 4.341 113 H ASN 15 H ASN 15 -1.967 -3.670 2.233 114 HA ASN 15 HA ASN 15 -0.658 -6.203 1.499 115 HB2 ASN 15 2HB ASN 15 -3.158 -5.881 2.554 116 HB3 ASN 15 1HB ASN 15 -3.505 -5.900 0.828 117 HD21 ASN 15 1HD2 ASN 15 -3.872 -7.815 -0.005 118 HD22 ASN 15 2HD2 ASN 15 -3.291 -9.324 0.603 119 H VAL 16 H VAL 16 -1.952 -3.219 0.342 120 HA VAL 16 HA VAL 16 -2.073 -2.229 -1.684 121 HB VAL 16 HB VAL 16 0.392 -2.797 -1.563 122 HG11 VAL 16 1HG1 VAL 16 0.759 -5.006 -1.943 123 HG12 VAL 16 2HG1 VAL 16 0.943 -4.413 -3.593 124 HG13 VAL 16 3HG1 VAL 16 -0.575 -5.152 -3.087 125 HG21 VAL 16 3HG2 VAL 16 0.667 -2.378 -4.096 126 HG22 VAL 16 1HG2 VAL 16 -0.171 -1.175 -3.116 127 HG23 VAL 16 2HG2 VAL 16 -1.094 -2.302 -4.110 128 H ILE 17 H ILE 17 -3.031 -2.348 -3.714 129 HA ILE 17 HA ILE 17 -4.045 -4.998 -4.491 130 HB ILE 17 HB ILE 17 -5.796 -2.729 -5.159 131 HG12 ILE 17 2HG1 ILE 17 -6.790 -3.005 -2.724 132 HG13 ILE 17 1HG1 ILE 17 -5.121 -3.394 -2.321 133 HG21 ILE 17 1HG2 ILE 17 -7.402 -4.312 -5.126 134 HG22 ILE 17 2HG2 ILE 17 -6.774 -5.073 -3.665 135 HG23 ILE 17 3HG2 ILE 17 -6.022 -5.406 -5.225 136 HD11 ILE 17 3HD1 ILE 17 -5.648 -0.938 -3.902 137 HD12 ILE 17 1HD1 ILE 17 -4.392 -1.270 -2.709 138 HD13 ILE 17 2HD1 ILE 17 -6.042 -0.936 -2.183 139 H SER 18 H SER 18 -5.429 -4.175 -6.770 140 HA SER 18 HA SER 18 -5.146 -3.758 -8.986 141 HB2 SER 18 2HB SER 18 -4.310 -1.485 -7.760 142 HB3 SER 18 1HB SER 18 -2.846 -1.932 -8.633 143 HG SER 18 HG SER 18 -3.776 -1.224 -10.364 144 H SER 19 H SER 19 -3.010 -3.326 -10.601 145 HA SER 19 HA SER 19 -1.773 -5.877 -10.667 146 HB2 SER 19 2HB SER 19 -0.535 -3.700 -12.244 147 HB3 SER 19 1HB SER 19 -1.095 -5.292 -12.760 148 HG SER 19 HG SER 19 -2.360 -2.907 -12.888 149 H ILE 20 H ILE 20 -0.831 -2.776 -9.394 150 HA ILE 20 HA ILE 20 1.485 -3.998 -8.138 151 HB ILE 20 HB ILE 20 2.186 -1.381 -9.265 152 HG12 ILE 20 2HG1 ILE 20 2.031 -3.751 -11.141 153 HG13 ILE 20 1HG1 ILE 20 0.896 -2.405 -11.159 154 HG21 ILE 20 1HG2 ILE 20 3.534 -3.329 -8.040 155 HG22 ILE 20 2HG2 ILE 20 4.292 -2.204 -9.167 156 HG23 ILE 20 3HG2 ILE 20 3.810 -3.811 -9.713 157 HD11 ILE 20 3HD1 ILE 20 2.510 -2.058 -12.876 158 HD12 ILE 20 1HD1 ILE 20 3.842 -2.307 -11.747 159 HD13 ILE 20 2HD1 ILE 20 2.812 -0.883 -11.595 160 H CYS 21 H CYS 21 2.671 -1.647 -7.183 161 HA CYS 21 HA CYS 21 0.553 -0.685 -5.390 162 HB2 CYS 21 2HB CYS 21 3.225 0.016 -4.519 163 HB3 CYS 21 1HB CYS 21 1.989 -0.914 -3.686 164 H ALA 22 H ALA 22 2.089 0.291 -8.105 165 HA ALA 22 HA ALA 22 2.164 3.117 -7.293 166 HB1 ALA 22 1HB ALA 22 3.909 3.474 -8.682 167 HB2 ALA 22 2HB ALA 22 3.313 2.343 -9.897 168 HB3 ALA 22 3HB ALA 22 4.151 1.740 -8.467 169 H GLY 23 H GLY 23 2.012 4.295 -9.787 170 HA2 GLY 23 2HA GLY 23 -0.809 3.798 -10.434 171 HA3 GLY 23 1HA GLY 23 0.075 5.280 -10.768 172 H THR 24 H THR 24 1.488 5.359 -12.565 173 HA THR 24 HA THR 24 1.125 3.169 -14.501 174 HB THR 24 HB THR 24 1.001 4.826 -16.298 175 HG1 THR 24 1HG THR 24 1.783 6.711 -15.866 176 HG21 THR 24 3HG2 THR 24 -1.151 5.843 -15.838 177 HG22 THR 24 1HG2 THR 24 -0.972 5.475 -14.122 178 HG23 THR 24 2HG2 THR 24 -1.120 4.165 -15.294 179 H ILE 25 H ILE 25 3.287 2.994 -12.986 180 HA ILE 25 HA ILE 25 5.462 3.965 -14.721 181 HB ILE 25 HB ILE 25 6.894 3.845 -12.588 182 HG12 ILE 25 2HG1 ILE 25 4.133 4.077 -11.366 183 HG13 ILE 25 1HG1 ILE 25 5.249 2.732 -11.158 184 HG21 ILE 25 1HG2 ILE 25 6.812 5.993 -13.213 185 HG22 ILE 25 2HG2 ILE 25 5.641 6.170 -11.905 186 HG23 ILE 25 3HG2 ILE 25 5.085 5.927 -13.561 187 HD11 ILE 25 3HD1 ILE 25 5.921 3.759 -9.314 188 HD12 ILE 25 1HD1 ILE 25 5.101 5.256 -9.755 189 HD13 ILE 25 2HD1 ILE 25 6.721 4.925 -10.368 190 H ILE 26 H ILE 26 4.458 1.476 -12.400 191 HA ILE 26 HA ILE 26 5.044 -0.712 -12.151 192 HB ILE 26 HB ILE 26 5.717 -0.648 -15.087 193 HG12 ILE 26 2HG1 ILE 26 3.135 -1.545 -14.947 194 HG13 ILE 26 1HG1 ILE 26 3.141 -0.295 -13.706 195 HG21 ILE 26 1HG2 ILE 26 6.207 -2.677 -13.599 196 HG22 ILE 26 2HG2 ILE 26 5.309 -2.945 -15.093 197 HG23 ILE 26 3HG2 ILE 26 4.457 -2.892 -13.550 198 HD11 ILE 26 3HD1 ILE 26 3.672 1.382 -15.242 199 HD12 ILE 26 1HD1 ILE 26 2.471 0.382 -16.060 200 HD13 ILE 26 2HD1 ILE 26 4.179 0.220 -16.468 201 H THR 27 H THR 27 6.856 -0.547 -10.848 202 HA THR 27 HA THR 27 9.310 -1.426 -12.011 203 HB THR 27 HB THR 27 9.192 1.378 -10.885 204 HG1 THR 27 1HG THR 27 9.809 0.339 -13.443 205 HG21 THR 27 3HG2 THR 27 11.574 1.529 -11.329 206 HG22 THR 27 1HG2 THR 27 11.608 -0.175 -11.783 207 HG23 THR 27 2HG2 THR 27 11.232 0.289 -10.123 208 H ALA 28 H ALA 28 8.983 0.619 -9.136 209 HA ALA 28 HA ALA 28 9.455 -1.776 -7.484 210 HB1 ALA 28 1HB ALA 28 10.878 -0.538 -6.052 211 HB2 ALA 28 2HB ALA 28 10.440 0.987 -6.821 212 HB3 ALA 28 3HB ALA 28 11.403 -0.199 -7.701 213 H CYS 29 H CYS 29 7.318 0.717 -8.157 214 HA CYS 29 HA CYS 29 5.616 1.748 -7.038 215 HB2 CYS 29 2HB CYS 29 4.029 0.210 -6.142 216 HB3 CYS 29 1HB CYS 29 4.803 -0.561 -7.513 217 H LYS 30 H LYS 30 7.675 2.631 -5.757 218 HA LYS 30 HA LYS 30 7.437 2.008 -2.914 219 HB2 LYS 30 2HB LYS 30 9.517 3.160 -4.641 220 HB3 LYS 30 1HB LYS 30 9.360 3.946 -3.076 221 HG2 LYS 30 2HG LYS 30 9.421 1.512 -2.155 222 HG3 LYS 30 1HG LYS 30 10.153 1.145 -3.717 223 HD2 LYS 30 2HD LYS 30 12.066 1.660 -2.632 224 HD3 LYS 30 1HD LYS 30 11.591 3.315 -3.020 225 HE2 LYS 30 2HE LYS 30 10.434 2.219 -0.546 226 HE3 LYS 30 1HE LYS 30 12.184 2.436 -0.524 227 HZ1 LYS 30 3HZ LYS 30 11.411 4.754 -1.574 228 HZ2 LYS 30 1HZ LYS 30 11.615 4.508 0.089 229 HZ3 LYS 30 2HZ LYS 30 10.071 4.425 -0.597 230 H ASN 31 H ASN 31 6.686 4.502 -5.213 231 HA ASN 31 HA ASN 31 5.813 6.265 -3.027 232 HB2 ASN 31 2HB ASN 31 6.130 7.066 -5.916 233 HB3 ASN 31 1HB ASN 31 6.014 8.114 -4.507 234 HD21 ASN 31 1HD2 ASN 31 7.800 8.355 -3.158 235 HD22 ASN 31 2HD2 ASN 31 9.394 7.918 -3.664 236 H CYS 32 H CYS 32 3.734 7.021 -2.932 237 HA CYS 32 HA CYS 32 1.827 5.778 -4.802 238 HB2 CYS 32 2HB CYS 32 1.662 6.303 -1.850 239 HB3 CYS 32 1HB CYS 32 0.195 6.167 -2.812 240 H ALA 33 H ALA 33 2.708 8.691 -3.052 241 HA ALA 33 HA ALA 33 0.646 10.185 -4.525 242 HB1 ALA 33 1HB ALA 33 0.335 10.590 -2.242 243 HB2 ALA 33 2HB ALA 33 1.219 12.002 -2.818 244 HB3 ALA 33 3HB ALA 33 2.066 10.730 -1.939 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 -1.088 -0.085 -15.032 2 H2 ALA 1 2HT ALA 1 -1.244 1.572 -15.452 3 H3 ALA 1 3HT ALA 1 -0.631 0.448 -16.595 4 HA ALA 1 HA ALA 1 -2.851 0.995 -17.124 5 HB1 ALA 1 2HB ALA 1 -2.597 -1.774 -15.958 6 HB2 ALA 1 3HB ALA 1 -2.079 -1.274 -17.567 7 HB3 ALA 1 1HB ALA 1 -3.792 -1.261 -17.149 8 H ASP 2 H ASP 2 -5.165 -0.031 -16.379 9 HA ASP 2 HA ASP 2 -6.952 0.218 -14.997 10 HB2 ASP 2 2HB ASP 2 -4.782 -0.635 -13.278 11 HB3 ASP 2 1HB ASP 2 -5.898 0.412 -12.407 12 H ARG 3 H ARG 3 -8.166 1.876 -14.169 13 HA ARG 3 HA ARG 3 -7.124 4.505 -14.442 14 HB2 ARG 3 2HB ARG 3 -9.741 3.322 -13.626 15 HB3 ARG 3 1HB ARG 3 -9.438 5.014 -13.256 16 HG2 ARG 3 2HG ARG 3 -8.708 4.462 -15.974 17 HG3 ARG 3 1HG ARG 3 -10.359 3.921 -15.663 18 HD2 ARG 3 2HD ARG 3 -10.458 6.192 -16.398 19 HD3 ARG 3 1HD ARG 3 -10.827 6.164 -14.674 20 HE ARG 3 HE ARG 3 -8.054 6.635 -15.198 21 HH11 ARG 3 1HH1 ARG 3 -11.190 8.157 -15.014 22 HH12 ARG 3 2HH1 ARG 3 -10.547 9.725 -14.660 23 HH21 ARG 3 1HH2 ARG 3 -7.207 8.697 -14.731 24 HH22 ARG 3 2HH2 ARG 3 -8.286 10.032 -14.499 25 H GLY 4 H GLY 4 -7.352 6.187 -12.717 26 HA2 GLY 4 2HA GLY 4 -5.821 5.419 -10.440 27 HA3 GLY 4 1HA GLY 4 -6.515 7.006 -10.735 28 H TRP 5 H TRP 5 -6.412 4.890 -8.432 29 HA TRP 5 HA TRP 5 -9.079 5.530 -7.465 30 HB2 TRP 5 2HB TRP 5 -8.805 3.125 -8.662 31 HB3 TRP 5 1HB TRP 5 -8.306 2.702 -7.027 32 HD1 TRP 5 HD TRP 5 -10.171 2.513 -5.200 33 HE1 TRP 5 1HE TRP 5 -12.741 2.654 -5.259 34 HE3 TRP 5 3HE TRP 5 -10.775 4.394 -9.916 35 HZ2 TRP 5 2HZ TRP 5 -14.756 3.456 -7.065 36 HZ3 TRP 5 3HZ TRP 5 -13.056 4.819 -10.733 37 HH2 TRP 5 HH TRP 5 -15.005 4.359 -9.335 38 H ILE 6 H ILE 6 -9.310 4.677 -5.131 39 HA ILE 6 HA ILE 6 -7.232 5.795 -3.592 40 HB ILE 6 HB ILE 6 -8.449 4.750 -1.638 41 HG12 ILE 6 2HG1 ILE 6 -10.529 4.033 -3.702 42 HG13 ILE 6 1HG1 ILE 6 -9.364 2.861 -3.093 43 HG21 ILE 6 1HG2 ILE 6 -10.651 6.106 -2.360 44 HG22 ILE 6 2HG2 ILE 6 -9.519 6.700 -3.574 45 HG23 ILE 6 3HG2 ILE 6 -9.150 6.885 -1.859 46 HD11 ILE 6 3HD1 ILE 6 -11.618 2.839 -1.998 47 HD12 ILE 6 1HD1 ILE 6 -11.215 4.410 -1.307 48 HD13 ILE 6 2HD1 ILE 6 -10.243 2.993 -0.905 49 H LYS 7 H LYS 7 -7.594 2.685 -4.937 50 HA LYS 7 HA LYS 7 -6.257 1.107 -3.036 51 HB2 LYS 7 2HB LYS 7 -7.476 0.637 -5.445 52 HB3 LYS 7 1HB LYS 7 -5.782 0.380 -5.843 53 HG2 LYS 7 2HG LYS 7 -6.877 -0.913 -3.401 54 HG3 LYS 7 1HG LYS 7 -7.299 -1.580 -4.979 55 HD2 LYS 7 2HD LYS 7 -4.632 -1.248 -5.275 56 HD3 LYS 7 1HD LYS 7 -4.725 -1.578 -3.544 57 HE2 LYS 7 2HE LYS 7 -4.663 -3.732 -4.200 58 HE3 LYS 7 1HE LYS 7 -6.381 -3.487 -4.510 59 HZ1 LYS 7 3HZ LYS 7 -5.781 -4.274 -6.523 60 HZ2 LYS 7 1HZ LYS 7 -4.175 -3.759 -6.391 61 HZ3 LYS 7 2HZ LYS 7 -5.386 -2.654 -6.809 62 H DBB 8 H DBB 8 -4.307 1.551 -2.258 63 HA DBB 8 HA DBB 8 -2.087 1.868 -4.111 64 HB3 DBB 8 HB DBB 8 -1.834 0.235 -2.326 65 HG1 DBB 8 3HG2 DBB 8 0.215 0.930 -1.275 66 HG2 DBB 8 1HG2 DBB 8 -0.130 2.623 -1.624 67 HG3 DBB 8 2HG2 DBB 8 0.215 1.506 -2.942 68 H LEU 9 H LEU 9 -3.615 3.606 -1.432 69 HA LEU 9 HA LEU 9 -2.835 6.117 -2.550 70 HB2 LEU 9 2HB LEU 9 -4.207 7.127 -0.959 71 HB3 LEU 9 1HB LEU 9 -5.000 5.613 -1.338 72 HG LEU 9 HG LEU 9 -5.220 5.824 0.977 73 HD11 LEU 9 1HD1 LEU 9 -3.710 4.094 1.948 74 HD12 LEU 9 2HD1 LEU 9 -2.831 4.083 0.420 75 HD13 LEU 9 3HD1 LEU 9 -4.527 3.605 0.464 76 HD21 LEU 9 3HD2 LEU 9 -2.343 6.243 1.559 77 HD22 LEU 9 1HD2 LEU 9 -3.771 6.823 2.416 78 HD23 LEU 9 2HD2 LEU 9 -3.257 7.611 0.924 79 H DBB 10 H DBB 10 -1.121 3.988 -0.638 80 HA DBB 10 HA DBB 10 0.199 6.019 0.956 81 HB3 DBB 10 HB DBB 10 1.357 4.942 -1.557 82 HG1 DBB 10 3HG2 DBB 10 2.588 6.983 -1.570 83 HG2 DBB 10 1HG2 DBB 10 2.196 7.289 0.120 84 HG3 DBB 10 2HG2 DBB 10 0.934 7.383 -1.107 85 H LYS 11 H LYS 11 1.374 5.242 2.657 86 HA LYS 11 HA LYS 11 2.139 2.527 2.943 87 HB2 LYS 11 2HB LYS 11 1.957 4.810 4.902 88 HB3 LYS 11 1HB LYS 11 2.529 3.211 5.357 89 HG2 LYS 11 2HG LYS 11 4.446 3.388 4.056 90 HG3 LYS 11 1HG LYS 11 3.775 4.694 3.077 91 HD2 LYS 11 2HD LYS 11 5.029 6.016 4.397 92 HD3 LYS 11 1HD LYS 11 3.713 5.806 5.553 93 HE2 LYS 11 2HE LYS 11 4.943 4.493 6.911 94 HE3 LYS 11 1HE LYS 11 5.747 3.682 5.567 95 HZ1 LYS 11 3HZ LYS 11 6.822 6.102 5.386 96 HZ2 LYS 11 1HZ LYS 11 7.498 4.857 6.312 97 HZ3 LYS 11 2HZ LYS 11 6.550 6.044 7.055 98 H ASP 12 H ASP 12 -0.876 3.963 3.167 99 HA ASP 12 HA ASP 12 -1.892 2.261 5.284 100 HB2 ASP 12 2HB ASP 12 -2.908 4.556 3.711 101 HB3 ASP 12 1HB ASP 12 -4.113 3.385 4.236 102 H CYS 13 H CYS 13 -0.808 1.082 2.784 103 HA CYS 13 HA CYS 13 -3.234 -0.261 1.799 104 HB2 CYS 13 2HB CYS 13 -0.554 0.128 0.452 105 HB3 CYS 13 1HB CYS 13 -1.880 -0.818 -0.215 106 HA PRO 14 HA PRO 14 -0.985 -3.640 3.870 107 HB2 PRO 14 2HB PRO 14 -3.121 -4.564 5.288 108 HB3 PRO 14 1HB PRO 14 -2.066 -3.267 5.848 109 HG2 PRO 14 2HG PRO 14 -4.835 -3.132 4.977 110 HG3 PRO 14 1HG PRO 14 -3.859 -1.894 5.780 111 HD2 PRO 14 2HD PRO 14 -4.517 -2.176 2.954 112 HD3 PRO 14 1HD PRO 14 -3.791 -0.798 3.802 113 H ASN 15 H ASN 15 -3.499 -3.489 1.629 114 HA ASN 15 HA ASN 15 -3.922 -6.364 1.495 115 HB2 ASN 15 2HB ASN 15 -5.685 -4.447 1.108 116 HB3 ASN 15 1HB ASN 15 -5.025 -4.448 -0.525 117 HD21 ASN 15 1HD2 ASN 15 -6.456 -5.436 -1.757 118 HD22 ASN 15 2HD2 ASN 15 -7.189 -6.966 -1.430 119 H VAL 16 H VAL 16 -1.329 -5.967 1.062 120 HA VAL 16 HA VAL 16 -0.993 -6.860 -1.655 121 HB VAL 16 HB VAL 16 -0.890 -4.446 -2.004 122 HG11 VAL 16 1HG1 VAL 16 0.073 -4.195 0.459 123 HG12 VAL 16 2HG1 VAL 16 0.348 -2.979 -0.788 124 HG13 VAL 16 3HG1 VAL 16 1.601 -4.166 -0.422 125 HG21 VAL 16 3HG2 VAL 16 0.494 -5.772 -3.439 126 HG22 VAL 16 1HG2 VAL 16 1.763 -5.861 -2.218 127 HG23 VAL 16 2HG2 VAL 16 1.395 -4.322 -2.998 128 H ILE 17 H ILE 17 -0.406 -8.700 -0.287 129 HA ILE 17 HA ILE 17 2.446 -8.681 0.268 130 HB ILE 17 HB ILE 17 1.621 -8.182 2.445 131 HG12 ILE 17 2HG1 ILE 17 2.125 -11.158 2.281 132 HG13 ILE 17 1HG1 ILE 17 3.372 -9.915 2.328 133 HG21 ILE 17 1HG2 ILE 17 -0.324 -8.877 3.323 134 HG22 ILE 17 2HG2 ILE 17 -0.089 -10.540 2.784 135 HG23 ILE 17 3HG2 ILE 17 -0.713 -9.328 1.664 136 HD11 ILE 17 3HD1 ILE 17 2.295 -9.224 4.556 137 HD12 ILE 17 1HD1 ILE 17 3.275 -10.689 4.511 138 HD13 ILE 17 2HD1 ILE 17 1.515 -10.803 4.497 139 H SER 18 H SER 18 3.421 -10.622 -0.032 140 HA SER 18 HA SER 18 2.372 -13.158 0.004 141 HB2 SER 18 2HB SER 18 0.795 -12.732 -1.700 142 HB3 SER 18 1HB SER 18 1.944 -11.787 -2.647 143 HG SER 18 HG SER 18 1.394 -14.317 -2.933 144 H SER 19 H SER 19 4.021 -11.769 -2.811 145 HA SER 19 HA SER 19 6.519 -13.024 -1.899 146 HB2 SER 19 2HB SER 19 5.128 -13.247 -4.537 147 HB3 SER 19 1HB SER 19 6.889 -13.294 -4.493 148 HG SER 19 HG SER 19 5.552 -15.347 -4.246 149 H ILE 20 H ILE 20 5.441 -10.976 -4.579 150 HA ILE 20 HA ILE 20 7.093 -8.783 -3.661 151 HB ILE 20 HB ILE 20 7.625 -10.161 -6.296 152 HG12 ILE 20 2HG1 ILE 20 9.429 -9.546 -3.945 153 HG13 ILE 20 1HG1 ILE 20 8.759 -11.126 -4.332 154 HG21 ILE 20 1HG2 ILE 20 7.625 -7.814 -6.737 155 HG22 ILE 20 2HG2 ILE 20 9.305 -8.344 -6.645 156 HG23 ILE 20 3HG2 ILE 20 8.575 -7.486 -5.288 157 HD11 ILE 20 3HD1 ILE 20 11.075 -10.945 -5.042 158 HD12 ILE 20 1HD1 ILE 20 10.664 -9.558 -6.051 159 HD13 ILE 20 2HD1 ILE 20 10.001 -11.148 -6.426 160 H CYS 21 H CYS 21 6.633 -6.812 -4.712 161 HA CYS 21 HA CYS 21 4.015 -6.801 -6.039 162 HB2 CYS 21 2HB CYS 21 5.021 -4.191 -5.192 163 HB3 CYS 21 1HB CYS 21 3.477 -4.962 -4.866 164 H ALA 22 H ALA 22 5.222 -7.452 -7.994 165 HA ALA 22 HA ALA 22 7.144 -6.176 -9.379 166 HB1 ALA 22 1HB ALA 22 5.233 -8.046 -9.986 167 HB2 ALA 22 2HB ALA 22 6.483 -7.457 -11.081 168 HB3 ALA 22 3HB ALA 22 4.873 -6.739 -11.112 169 H GLY 23 H GLY 23 7.518 -4.129 -9.845 170 HA2 GLY 23 2HA GLY 23 6.179 -2.454 -11.463 171 HA3 GLY 23 1HA GLY 23 5.356 -2.197 -9.932 172 H THR 24 H THR 24 8.449 -1.956 -11.598 173 HA THR 24 HA THR 24 10.268 -0.630 -11.262 174 HB THR 24 HB THR 24 8.385 1.081 -9.627 175 HG1 THR 24 1HG THR 24 8.035 2.153 -11.632 176 HG21 THR 24 3HG2 THR 24 10.844 1.827 -11.191 177 HG22 THR 24 1HG2 THR 24 10.706 1.779 -9.434 178 HG23 THR 24 2HG2 THR 24 9.761 2.944 -10.362 179 H ILE 25 H ILE 25 11.143 -2.394 -9.973 180 HA ILE 25 HA ILE 25 10.921 -2.359 -7.125 181 HB ILE 25 HB ILE 25 13.062 -3.729 -8.749 182 HG12 ILE 25 2HG1 ILE 25 11.127 -5.617 -8.080 183 HG13 ILE 25 1HG1 ILE 25 10.194 -4.224 -8.615 184 HG21 ILE 25 1HG2 ILE 25 12.187 -3.793 -5.936 185 HG22 ILE 25 2HG2 ILE 25 13.773 -4.100 -6.641 186 HG23 ILE 25 3HG2 ILE 25 12.536 -5.357 -6.673 187 HD11 ILE 25 3HD1 ILE 25 11.583 -4.198 -10.687 188 HD12 ILE 25 1HD1 ILE 25 10.566 -5.626 -10.492 189 HD13 ILE 25 2HD1 ILE 25 12.295 -5.721 -10.154 190 H ILE 26 H ILE 26 11.505 -0.206 -6.573 191 HA ILE 26 HA ILE 26 14.156 0.760 -7.176 192 HB ILE 26 HB ILE 26 12.257 2.323 -6.976 193 HG12 ILE 26 2HG1 ILE 26 13.905 3.200 -4.700 194 HG13 ILE 26 1HG1 ILE 26 14.827 2.682 -6.107 195 HG21 ILE 26 1HG2 ILE 26 11.040 2.672 -5.057 196 HG22 ILE 26 2HG2 ILE 26 12.304 2.029 -4.008 197 HG23 ILE 26 3HG2 ILE 26 11.318 0.933 -4.975 198 HD11 ILE 26 3HD1 ILE 26 14.385 4.571 -7.168 199 HD12 ILE 26 1HD1 ILE 26 13.671 5.169 -5.670 200 HD13 ILE 26 2HD1 ILE 26 12.653 4.397 -6.886 201 H THR 27 H THR 27 12.456 -0.606 -4.415 202 HA THR 27 HA THR 27 15.047 -1.028 -3.096 203 HB THR 27 HB THR 27 13.350 -0.741 -0.966 204 HG1 THR 27 1HG THR 27 11.693 0.341 -1.631 205 HG21 THR 27 3HG2 THR 27 15.564 0.258 -1.109 206 HG22 THR 27 1HG2 THR 27 14.361 1.426 -0.565 207 HG23 THR 27 2HG2 THR 27 14.946 1.473 -2.228 208 H ALA 28 H ALA 28 11.584 -1.801 -2.753 209 HA ALA 28 HA ALA 28 12.337 -4.628 -2.409 210 HB1 ALA 28 1HB ALA 28 10.904 -4.894 -0.669 211 HB2 ALA 28 2HB ALA 28 9.772 -3.685 -1.273 212 HB3 ALA 28 3HB ALA 28 11.248 -3.178 -0.451 213 H CYS 29 H CYS 29 9.595 -2.542 -3.275 214 HA CYS 29 HA CYS 29 9.196 -3.846 -5.769 215 HB2 CYS 29 2HB CYS 29 6.937 -4.731 -5.267 216 HB3 CYS 29 1HB CYS 29 8.193 -5.555 -4.360 217 H LYS 30 H LYS 30 6.412 -3.168 -5.990 218 HA LYS 30 HA LYS 30 6.693 -0.309 -6.340 219 HB2 LYS 30 2HB LYS 30 5.633 -2.043 -7.981 220 HB3 LYS 30 1HB LYS 30 4.198 -1.834 -6.989 221 HG2 LYS 30 2HG LYS 30 5.217 0.740 -7.621 222 HG3 LYS 30 1HG LYS 30 5.134 -0.207 -9.107 223 HD2 LYS 30 2HD LYS 30 2.840 -0.058 -7.169 224 HD3 LYS 30 1HD LYS 30 3.058 1.123 -8.462 225 HE2 LYS 30 2HE LYS 30 2.504 -0.358 -10.091 226 HE3 LYS 30 1HE LYS 30 3.204 -1.729 -9.231 227 HZ1 LYS 30 3HZ LYS 30 1.051 -2.246 -8.926 228 HZ2 LYS 30 1HZ LYS 30 0.507 -0.657 -9.130 229 HZ3 LYS 30 2HZ LYS 30 1.152 -1.147 -7.645 230 H ASN 31 H ASN 31 6.082 -1.864 -3.664 231 HA ASN 31 HA ASN 31 3.559 -0.821 -2.832 232 HB2 ASN 31 2HB ASN 31 4.528 -2.848 -1.823 233 HB3 ASN 31 1HB ASN 31 5.855 -1.890 -1.172 234 HD21 ASN 31 1HD2 ASN 31 5.623 -1.022 0.770 235 HD22 ASN 31 2HD2 ASN 31 4.145 -0.931 1.660 236 H CYS 32 H CYS 32 3.307 0.680 -0.998 237 HA CYS 32 HA CYS 32 4.822 3.074 -1.469 238 HB2 CYS 32 2HB CYS 32 2.315 2.902 -0.913 239 HB3 CYS 32 1HB CYS 32 2.830 2.690 0.756 240 H ALA 33 H ALA 33 4.186 1.154 1.470 241 HA ALA 33 HA ALA 33 6.220 2.445 2.980 242 HB1 ALA 33 1HB ALA 33 4.083 0.954 3.648 243 HB2 ALA 33 2HB ALA 33 5.441 1.257 4.734 244 HB3 ALA 33 3HB ALA 33 5.362 -0.248 3.819 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 -10.153 -9.386 -9.348 2 H2 ALA 1 2HT ALA 1 -8.891 -9.255 -10.503 3 H3 ALA 1 3HT ALA 1 -10.140 -8.079 -10.456 4 HA ALA 1 HA ALA 1 -8.334 -7.090 -9.469 5 HB1 ALA 1 2HB ALA 1 -9.916 -8.174 -7.153 6 HB2 ALA 1 3HB ALA 1 -10.559 -6.976 -8.275 7 HB3 ALA 1 1HB ALA 1 -9.137 -6.599 -7.303 8 H ASP 2 H ASP 2 -6.428 -7.159 -8.324 9 HA ASP 2 HA ASP 2 -5.575 -9.835 -7.433 10 HB2 ASP 2 2HB ASP 2 -4.206 -7.710 -8.998 11 HB3 ASP 2 1HB ASP 2 -3.223 -8.621 -7.855 12 H ARG 3 H ARG 3 -6.851 -8.671 -5.504 13 HA ARG 3 HA ARG 3 -6.734 -7.935 -3.356 14 HB2 ARG 3 2HB ARG 3 -3.936 -8.822 -3.903 15 HB3 ARG 3 1HB ARG 3 -4.258 -7.933 -2.421 16 HG2 ARG 3 2HG ARG 3 -5.761 -10.410 -3.227 17 HG3 ARG 3 1HG ARG 3 -4.317 -10.424 -2.211 18 HD2 ARG 3 2HD ARG 3 -5.420 -9.069 -0.549 19 HD3 ARG 3 1HD ARG 3 -6.833 -8.885 -1.587 20 HE ARG 3 HE ARG 3 -6.195 -11.619 -0.968 21 HH11 ARG 3 1HH1 ARG 3 -7.901 -8.766 0.095 22 HH12 ARG 3 2HH1 ARG 3 -9.032 -9.651 1.062 23 HH21 ARG 3 1HH2 ARG 3 -7.681 -12.784 0.305 24 HH22 ARG 3 2HH2 ARG 3 -8.906 -11.931 1.185 25 H GLY 4 H GLY 4 -7.344 -5.845 -3.343 26 HA2 GLY 4 2HA GLY 4 -6.386 -3.687 -2.528 27 HA3 GLY 4 1HA GLY 4 -5.250 -3.824 -3.862 28 H TRP 5 H TRP 5 -7.694 -2.036 -2.961 29 HA TRP 5 HA TRP 5 -8.732 -1.750 -5.699 30 HB2 TRP 5 2HB TRP 5 -10.400 -2.830 -4.155 31 HB3 TRP 5 1HB TRP 5 -10.384 -1.351 -3.200 32 HD1 TRP 5 HD TRP 5 -10.534 0.812 -5.491 33 HE1 TRP 5 1HE TRP 5 -12.679 1.058 -6.891 34 HE3 TRP 5 3HE TRP 5 -12.573 -3.812 -4.685 35 HZ2 TRP 5 2HZ TRP 5 -14.937 -0.497 -7.563 36 HZ3 TRP 5 3HZ TRP 5 -14.728 -4.350 -5.743 37 HH2 TRP 5 HH TRP 5 -15.884 -2.725 -7.152 38 H ILE 6 H ILE 6 -8.359 -0.172 -2.538 39 HA ILE 6 HA ILE 6 -8.945 2.416 -3.105 40 HB ILE 6 HB ILE 6 -8.247 1.622 -0.892 41 HG12 ILE 6 2HG1 ILE 6 -6.350 3.846 -1.425 42 HG13 ILE 6 1HG1 ILE 6 -8.033 4.112 -1.872 43 HG21 ILE 6 1HG2 ILE 6 -5.758 1.098 -2.313 44 HG22 ILE 6 2HG2 ILE 6 -6.376 0.407 -0.813 45 HG23 ILE 6 3HG2 ILE 6 -5.524 1.950 -0.786 46 HD11 ILE 6 3HD1 ILE 6 -6.932 4.537 0.600 47 HD12 ILE 6 1HD1 ILE 6 -7.735 2.978 0.787 48 HD13 ILE 6 2HD1 ILE 6 -8.653 4.384 0.245 49 H LYS 7 H LYS 7 -6.348 0.632 -4.447 50 HA LYS 7 HA LYS 7 -5.027 1.145 -6.227 51 HB2 LYS 7 2HB LYS 7 -6.790 3.282 -6.290 52 HB3 LYS 7 1HB LYS 7 -5.213 4.054 -6.202 53 HG2 LYS 7 2HG LYS 7 -5.263 1.872 -8.111 54 HG3 LYS 7 1HG LYS 7 -6.466 3.113 -8.472 55 HD2 LYS 7 2HD LYS 7 -3.834 4.166 -7.723 56 HD3 LYS 7 1HD LYS 7 -3.837 3.211 -9.207 57 HE2 LYS 7 2HE LYS 7 -4.394 5.197 -10.136 58 HE3 LYS 7 1HE LYS 7 -6.016 4.712 -9.640 59 HZ1 LYS 7 3HZ LYS 7 -5.139 5.922 -7.429 60 HZ2 LYS 7 1HZ LYS 7 -6.004 6.711 -8.650 61 HZ3 LYS 7 2HZ LYS 7 -4.317 6.818 -8.603 62 H DBB 8 H DBB 8 -4.176 0.982 -3.517 63 HA DBB 8 HA DBB 8 -1.528 1.775 -3.727 64 HB3 DBB 8 HB DBB 8 -3.086 1.291 -1.176 65 HG1 DBB 8 3HG2 DBB 8 -2.558 -0.979 -1.323 66 HG2 DBB 8 1HG2 DBB 8 -1.347 -0.715 -2.579 67 HG3 DBB 8 2HG2 DBB 8 -3.061 -0.570 -2.962 68 H LEU 9 H LEU 9 -3.703 3.157 -1.258 69 HA LEU 9 HA LEU 9 -3.422 5.830 -2.000 70 HB2 LEU 9 2HB LEU 9 -4.270 6.398 0.167 71 HB3 LEU 9 1HB LEU 9 -5.110 4.972 -0.410 72 HG LEU 9 HG LEU 9 -2.742 4.542 1.335 73 HD11 LEU 9 1HD1 LEU 9 -3.589 6.101 2.769 74 HD12 LEU 9 2HD1 LEU 9 -4.554 4.706 3.253 75 HD13 LEU 9 3HD1 LEU 9 -5.238 5.919 2.172 76 HD21 LEU 9 3HD2 LEU 9 -3.753 2.559 0.644 77 HD22 LEU 9 1HD2 LEU 9 -5.381 3.218 0.809 78 HD23 LEU 9 2HD2 LEU 9 -4.439 2.827 2.247 79 H DBB 10 H DBB 10 -1.306 3.759 -0.170 80 HA DBB 10 HA DBB 10 0.316 5.943 0.802 81 HB3 DBB 10 HB DBB 10 0.996 5.748 -1.565 82 HG1 DBB 10 3HG2 DBB 10 3.446 5.358 -1.196 83 HG2 DBB 10 1HG2 DBB 10 3.058 4.917 0.467 84 HG3 DBB 10 2HG2 DBB 10 2.706 6.542 -0.119 85 H LYS 11 H LYS 11 1.325 5.382 2.622 86 HA LYS 11 HA LYS 11 2.413 2.826 3.143 87 HB2 LYS 11 2HB LYS 11 1.758 5.150 4.953 88 HB3 LYS 11 1HB LYS 11 2.547 3.685 5.523 89 HG2 LYS 11 2HG LYS 11 4.143 4.293 3.447 90 HG3 LYS 11 1HG LYS 11 3.610 5.909 3.914 91 HD2 LYS 11 2HD LYS 11 4.335 5.479 6.214 92 HD3 LYS 11 1HD LYS 11 4.871 3.865 5.743 93 HE2 LYS 11 2HE LYS 11 6.704 4.644 4.638 94 HE3 LYS 11 1HE LYS 11 5.925 6.162 4.191 95 HZ1 LYS 11 3HZ LYS 11 6.069 6.453 6.824 96 HZ2 LYS 11 1HZ LYS 11 7.291 6.964 5.772 97 HZ3 LYS 11 2HZ LYS 11 7.435 5.486 6.580 98 H ASP 12 H ASP 12 -0.782 4.037 3.373 99 HA ASP 12 HA ASP 12 -1.601 2.008 5.300 100 HB2 ASP 12 2HB ASP 12 -2.796 4.485 4.196 101 HB3 ASP 12 1HB ASP 12 -3.920 3.192 4.605 102 H CYS 13 H CYS 13 -0.743 1.572 2.360 103 HA CYS 13 HA CYS 13 -2.902 0.744 0.818 104 HB2 CYS 13 2HB CYS 13 -0.031 -0.084 0.963 105 HB3 CYS 13 1HB CYS 13 -1.133 -0.971 -0.079 106 HA PRO 14 HA PRO 14 -4.274 -2.568 3.565 107 HB2 PRO 14 2HB PRO 14 -6.299 -2.940 1.447 108 HB3 PRO 14 1HB PRO 14 -6.523 -2.648 3.175 109 HG2 PRO 14 2HG PRO 14 -7.040 -0.748 1.357 110 HG3 PRO 14 1HG PRO 14 -6.353 -0.355 2.945 111 HD2 PRO 14 2HD PRO 14 -4.992 -0.546 0.284 112 HD3 PRO 14 1HD PRO 14 -4.749 0.630 1.594 113 H ASN 15 H ASN 15 -3.301 -2.676 0.279 114 HA ASN 15 HA ASN 15 -2.095 -5.182 0.476 115 HB2 ASN 15 2HB ASN 15 -4.900 -5.202 -0.458 116 HB3 ASN 15 1HB ASN 15 -3.757 -6.097 -1.458 117 HD21 ASN 15 1HD2 ASN 15 -2.043 -7.170 0.278 118 HD22 ASN 15 2HD2 ASN 15 -2.850 -8.238 1.371 119 H VAL 16 H VAL 16 -0.680 -5.459 -1.159 120 HA VAL 16 HA VAL 16 -1.017 -3.904 -3.616 121 HB VAL 16 HB VAL 16 0.323 -2.490 -2.155 122 HG11 VAL 16 1HG1 VAL 16 2.104 -3.171 -0.926 123 HG12 VAL 16 2HG1 VAL 16 2.585 -4.401 -2.096 124 HG13 VAL 16 3HG1 VAL 16 1.234 -4.705 -1.002 125 HG21 VAL 16 3HG2 VAL 16 1.235 -3.552 -4.684 126 HG22 VAL 16 1HG2 VAL 16 2.588 -2.992 -3.699 127 HG23 VAL 16 2HG2 VAL 16 1.262 -1.893 -4.084 128 H ILE 17 H ILE 17 -1.499 -6.460 -3.764 129 HA ILE 17 HA ILE 17 -0.951 -8.389 -4.839 130 HB ILE 17 HB ILE 17 1.554 -6.970 -5.736 131 HG12 ILE 17 2HG1 ILE 17 -0.522 -6.992 -7.721 132 HG13 ILE 17 1HG1 ILE 17 -1.141 -6.254 -6.247 133 HG21 ILE 17 1HG2 ILE 17 1.342 -9.461 -6.061 134 HG22 ILE 17 2HG2 ILE 17 1.607 -8.518 -7.527 135 HG23 ILE 17 3HG2 ILE 17 -0.005 -9.120 -7.146 136 HD11 ILE 17 3HD1 ILE 17 1.380 -5.430 -7.670 137 HD12 ILE 17 1HD1 ILE 17 0.671 -4.655 -6.253 138 HD13 ILE 17 2HD1 ILE 17 -0.180 -4.617 -7.796 139 H SER 18 H SER 18 0.129 -10.292 -4.421 140 HA SER 18 HA SER 18 1.841 -10.264 -2.082 141 HB2 SER 18 2HB SER 18 -0.113 -11.975 -2.887 142 HB3 SER 18 1HB SER 18 1.322 -12.838 -3.439 143 HG SER 18 HG SER 18 2.122 -12.411 -1.211 144 H SER 19 H SER 19 2.034 -11.217 -5.481 145 HA SER 19 HA SER 19 4.745 -12.125 -5.285 146 HB2 SER 19 2HB SER 19 4.342 -11.687 -7.956 147 HB3 SER 19 1HB SER 19 3.928 -13.176 -7.108 148 HG SER 19 HG SER 19 1.833 -12.524 -6.977 149 H ILE 20 H ILE 20 5.340 -10.065 -4.174 150 HA ILE 20 HA ILE 20 6.625 -8.195 -4.145 151 HB ILE 20 HB ILE 20 6.804 -8.385 -7.136 152 HG12 ILE 20 2HG1 ILE 20 8.740 -9.692 -5.245 153 HG13 ILE 20 1HG1 ILE 20 7.343 -10.554 -5.880 154 HG21 ILE 20 1HG2 ILE 20 8.656 -7.260 -5.042 155 HG22 ILE 20 2HG2 ILE 20 7.690 -6.340 -6.194 156 HG23 ILE 20 3HG2 ILE 20 9.015 -7.351 -6.766 157 HD11 ILE 20 3HD1 ILE 20 9.844 -10.301 -7.061 158 HD12 ILE 20 1HD1 ILE 20 8.784 -9.246 -7.997 159 HD13 ILE 20 2HD1 ILE 20 8.379 -10.951 -7.796 160 H CYS 21 H CYS 21 6.554 -5.936 -4.658 161 HA CYS 21 HA CYS 21 3.867 -5.048 -5.183 162 HB2 CYS 21 2HB CYS 21 6.174 -3.178 -4.771 163 HB3 CYS 21 1HB CYS 21 4.490 -2.981 -4.301 164 H ALA 22 H ALA 22 6.193 -5.918 -7.248 165 HA ALA 22 HA ALA 22 5.092 -4.839 -9.521 166 HB1 ALA 22 1HB ALA 22 5.677 -2.681 -9.444 167 HB2 ALA 22 2HB ALA 22 7.304 -3.240 -9.835 168 HB3 ALA 22 3HB ALA 22 6.850 -2.956 -8.155 169 H GLY 23 H GLY 23 7.077 -4.576 -11.301 170 HA2 GLY 23 2HA GLY 23 8.461 -7.164 -11.075 171 HA3 GLY 23 1HA GLY 23 8.060 -6.354 -12.581 172 H THR 24 H THR 24 10.486 -6.992 -10.365 173 HA THR 24 HA THR 24 12.297 -5.205 -11.774 174 HB THR 24 HB THR 24 13.304 -4.448 -9.588 175 HG1 THR 24 1HG THR 24 12.517 -5.269 -7.848 176 HG21 THR 24 3HG2 THR 24 11.891 -2.918 -10.836 177 HG22 THR 24 1HG2 THR 24 11.660 -2.726 -9.099 178 HG23 THR 24 2HG2 THR 24 10.459 -3.591 -10.057 179 H ILE 25 H ILE 25 14.620 -5.594 -10.918 180 HA ILE 25 HA ILE 25 15.192 -8.347 -11.255 181 HB ILE 25 HB ILE 25 17.079 -6.232 -10.218 182 HG12 ILE 25 2HG1 ILE 25 16.064 -5.428 -12.274 183 HG13 ILE 25 1HG1 ILE 25 17.724 -5.921 -12.595 184 HG21 ILE 25 1HG2 ILE 25 17.362 -9.014 -11.147 185 HG22 ILE 25 2HG2 ILE 25 18.346 -8.086 -10.014 186 HG23 ILE 25 3HG2 ILE 25 18.564 -7.873 -11.751 187 HD11 ILE 25 3HD1 ILE 25 16.631 -8.174 -13.287 188 HD12 ILE 25 1HD1 ILE 25 16.605 -6.800 -14.393 189 HD13 ILE 25 2HD1 ILE 25 15.172 -7.196 -13.445 190 H ILE 26 H ILE 26 15.647 -6.190 -8.450 191 HA ILE 26 HA ILE 26 16.154 -8.458 -6.718 192 HB ILE 26 HB ILE 26 17.433 -6.383 -6.412 193 HG12 ILE 26 2HG1 ILE 26 15.858 -6.420 -3.916 194 HG13 ILE 26 1HG1 ILE 26 16.423 -7.994 -4.467 195 HG21 ILE 26 1HG2 ILE 26 16.538 -4.338 -6.131 196 HG22 ILE 26 2HG2 ILE 26 15.209 -4.940 -5.140 197 HG23 ILE 26 3HG2 ILE 26 15.126 -5.068 -6.897 198 HD11 ILE 26 3HD1 ILE 26 17.962 -5.654 -3.496 199 HD12 ILE 26 1HD1 ILE 26 18.705 -6.701 -4.707 200 HD13 ILE 26 2HD1 ILE 26 18.177 -7.373 -3.164 201 H THR 27 H THR 27 14.764 -9.345 -5.291 202 HA THR 27 HA THR 27 11.972 -8.729 -5.539 203 HB THR 27 HB THR 27 13.266 -10.601 -3.559 204 HG1 THR 27 1HG THR 27 13.926 -11.567 -5.313 205 HG21 THR 27 3HG2 THR 27 10.552 -10.681 -4.848 206 HG22 THR 27 1HG2 THR 27 10.887 -10.195 -3.187 207 HG23 THR 27 2HG2 THR 27 11.204 -11.852 -3.701 208 H ALA 28 H ALA 28 12.633 -6.431 -4.735 209 HA ALA 28 HA ALA 28 12.216 -6.350 -1.819 210 HB1 ALA 28 1HB ALA 28 13.587 -4.171 -3.358 211 HB2 ALA 28 2HB ALA 28 14.468 -5.554 -2.708 212 HB3 ALA 28 3HB ALA 28 13.597 -4.472 -1.620 213 H CYS 29 H CYS 29 11.401 -4.968 -4.938 214 HA CYS 29 HA CYS 29 9.684 -3.700 -5.666 215 HB2 CYS 29 2HB CYS 29 7.617 -4.257 -4.905 216 HB3 CYS 29 1HB CYS 29 8.515 -5.538 -4.120 217 H LYS 30 H LYS 30 9.059 -1.585 -5.648 218 HA LYS 30 HA LYS 30 10.435 0.163 -3.881 219 HB2 LYS 30 2HB LYS 30 9.286 0.402 -6.375 220 HB3 LYS 30 1HB LYS 30 8.211 1.358 -5.364 221 HG2 LYS 30 2HG LYS 30 10.832 2.060 -4.626 222 HG3 LYS 30 1HG LYS 30 10.797 2.017 -6.388 223 HD2 LYS 30 2HD LYS 30 8.462 3.304 -5.826 224 HD3 LYS 30 1HD LYS 30 9.500 3.867 -4.514 225 HE2 LYS 30 2HE LYS 30 11.207 4.482 -6.221 226 HE3 LYS 30 1HE LYS 30 10.040 4.062 -7.474 227 HZ1 LYS 30 3HZ LYS 30 9.926 6.279 -5.524 228 HZ2 LYS 30 1HZ LYS 30 8.532 5.731 -6.309 229 HZ3 LYS 30 2HZ LYS 30 9.822 6.350 -7.210 230 H ASN 31 H ASN 31 7.191 -1.105 -4.024 231 HA ASN 31 HA ASN 31 5.381 -0.927 -2.656 232 HB2 ASN 31 2HB ASN 31 7.506 -1.597 -1.103 233 HB3 ASN 31 1HB ASN 31 6.968 -0.126 -0.298 234 HD21 ASN 31 1HD2 ASN 31 6.879 -2.543 0.978 235 HD22 ASN 31 2HD2 ASN 31 5.234 -3.022 1.201 236 H CYS 32 H CYS 32 4.343 0.548 -0.869 237 HA CYS 32 HA CYS 32 4.319 3.208 -1.984 238 HB2 CYS 32 2HB CYS 32 2.496 1.562 -0.543 239 HB3 CYS 32 1HB CYS 32 2.727 3.041 0.380 240 H ALA 33 H ALA 33 5.302 1.670 1.032 241 HA ALA 33 HA ALA 33 6.051 4.197 2.233 242 HB1 ALA 33 1HB ALA 33 6.284 1.345 3.169 243 HB2 ALA 33 2HB ALA 33 5.154 2.580 3.727 244 HB3 ALA 33 3HB ALA 33 6.873 2.724 4.097 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 -16.474 13.107 -2.031 2 H2 ALA 1 2HT ALA 1 -16.644 14.813 -1.954 3 H3 ALA 1 3HT ALA 1 -15.530 14.107 -3.053 4 HA ALA 1 HA ALA 1 -18.412 13.581 -3.142 5 HB1 ALA 1 2HB ALA 1 -17.118 15.513 -5.001 6 HB2 ALA 1 3HB ALA 1 -17.591 16.066 -3.394 7 HB3 ALA 1 1HB ALA 1 -18.801 15.393 -4.486 8 H ASP 2 H ASP 2 -15.422 13.995 -5.045 9 HA ASP 2 HA ASP 2 -16.328 11.886 -6.859 10 HB2 ASP 2 2HB ASP 2 -14.522 12.631 -8.332 11 HB3 ASP 2 1HB ASP 2 -15.526 13.995 -7.851 12 H ARG 3 H ARG 3 -14.008 10.835 -7.787 13 HA ARG 3 HA ARG 3 -12.411 9.266 -7.391 14 HB2 ARG 3 2HB ARG 3 -11.962 11.274 -5.452 15 HB3 ARG 3 1HB ARG 3 -11.800 9.733 -4.623 16 HG2 ARG 3 2HG ARG 3 -10.427 9.530 -7.093 17 HG3 ARG 3 1HG ARG 3 -9.948 11.046 -6.328 18 HD2 ARG 3 2HD ARG 3 -9.894 9.308 -4.222 19 HD3 ARG 3 1HD ARG 3 -9.377 8.276 -5.555 20 HE ARG 3 HE ARG 3 -7.869 10.340 -4.313 21 HH11 ARG 3 1HH1 ARG 3 -8.437 8.785 -7.385 22 HH12 ARG 3 2HH1 ARG 3 -6.868 9.170 -8.011 23 HH21 ARG 3 1HH2 ARG 3 -5.806 10.847 -5.134 24 HH22 ARG 3 2HH2 ARG 3 -5.374 10.340 -6.733 25 H GLY 4 H GLY 4 -13.291 7.295 -7.379 26 HA2 GLY 4 2HA GLY 4 -14.592 6.390 -4.882 27 HA3 GLY 4 1HA GLY 4 -15.137 5.897 -6.478 28 H TRP 5 H TRP 5 -12.795 5.268 -7.739 29 HA TRP 5 HA TRP 5 -12.073 2.813 -6.353 30 HB2 TRP 5 2HB TRP 5 -12.688 3.119 -8.893 31 HB3 TRP 5 1HB TRP 5 -10.991 3.562 -9.043 32 HD1 TRP 5 HD TRP 5 -9.786 1.412 -7.004 33 HE1 TRP 5 1HE TRP 5 -9.740 -1.070 -7.684 34 HE3 TRP 5 3HE TRP 5 -13.419 1.488 -10.603 35 HZ2 TRP 5 2HZ TRP 5 -11.067 -2.770 -9.504 36 HZ3 TRP 5 3HZ TRP 5 -13.969 -0.609 -11.765 37 HH2 TRP 5 HH TRP 5 -12.818 -2.694 -11.226 38 H ILE 6 H ILE 6 -10.263 2.579 -5.227 39 HA ILE 6 HA ILE 6 -8.065 4.488 -5.695 40 HB ILE 6 HB ILE 6 -7.421 3.990 -3.296 41 HG12 ILE 6 2HG1 ILE 6 -10.249 2.910 -3.222 42 HG13 ILE 6 1HG1 ILE 6 -8.781 1.956 -3.029 43 HG21 ILE 6 1HG2 ILE 6 -9.615 5.367 -2.524 44 HG22 ILE 6 2HG2 ILE 6 -9.670 5.616 -4.269 45 HG23 ILE 6 3HG2 ILE 6 -8.236 6.086 -3.355 46 HD11 ILE 6 3HD1 ILE 6 -10.277 3.083 -1.017 47 HD12 ILE 6 1HD1 ILE 6 -8.903 4.178 -1.173 48 HD13 ILE 6 2HD1 ILE 6 -8.633 2.461 -0.873 49 H LYS 7 H LYS 7 -5.914 3.710 -5.474 50 HA LYS 7 HA LYS 7 -5.524 0.831 -5.287 51 HB2 LYS 7 2HB LYS 7 -4.062 0.966 -7.396 52 HB3 LYS 7 1HB LYS 7 -5.805 0.906 -7.609 53 HG2 LYS 7 2HG LYS 7 -4.888 3.631 -7.392 54 HG3 LYS 7 1HG LYS 7 -4.038 2.770 -8.676 55 HD2 LYS 7 2HD LYS 7 -5.876 2.633 -9.967 56 HD3 LYS 7 1HD LYS 7 -6.932 2.289 -8.595 57 HE2 LYS 7 2HE LYS 7 -6.381 4.847 -8.066 58 HE3 LYS 7 1HE LYS 7 -6.177 4.883 -9.816 59 HZ1 LYS 7 3HZ LYS 7 -8.478 5.367 -8.875 60 HZ2 LYS 7 1HZ LYS 7 -8.588 3.704 -8.579 61 HZ3 LYS 7 2HZ LYS 7 -8.381 4.272 -10.159 62 H DBB 8 H DBB 8 -4.290 1.089 -3.465 63 HA DBB 8 HA DBB 8 -1.558 1.781 -3.849 64 HB3 DBB 8 HB DBB 8 -3.100 1.144 -1.321 65 HG1 DBB 8 3HG2 DBB 8 -2.308 -1.050 -1.493 66 HG2 DBB 8 1HG2 DBB 8 -1.102 -0.620 -2.706 67 HG3 DBB 8 2HG2 DBB 8 -2.812 -0.659 -3.134 68 H LEU 9 H LEU 9 -3.591 3.042 -1.217 69 HA LEU 9 HA LEU 9 -3.478 5.740 -1.957 70 HB2 LEU 9 2HB LEU 9 -3.505 5.037 0.936 71 HB3 LEU 9 1HB LEU 9 -4.424 6.256 0.080 72 HG LEU 9 HG LEU 9 -6.084 4.781 0.615 73 HD11 LEU 9 1HD1 LEU 9 -6.908 4.133 -1.359 74 HD12 LEU 9 2HD1 LEU 9 -5.509 3.126 -1.729 75 HD13 LEU 9 3HD1 LEU 9 -5.446 4.863 -2.023 76 HD21 LEU 9 3HD2 LEU 9 -4.960 2.199 -0.032 77 HD22 LEU 9 1HD2 LEU 9 -5.700 2.763 1.465 78 HD23 LEU 9 2HD2 LEU 9 -3.985 3.048 1.167 79 H DBB 10 H DBB 10 -1.371 3.818 0.093 80 HA DBB 10 HA DBB 10 0.304 5.978 0.865 81 HB3 DBB 10 HB DBB 10 0.871 5.800 -1.549 82 HG1 DBB 10 3HG2 DBB 10 3.366 5.513 -1.246 83 HG2 DBB 10 1HG2 DBB 10 3.027 5.160 0.448 84 HG3 DBB 10 2HG2 DBB 10 2.591 6.727 -0.230 85 H LYS 11 H LYS 11 1.206 5.406 2.710 86 HA LYS 11 HA LYS 11 2.460 2.895 3.156 87 HB2 LYS 11 2HB LYS 11 1.614 4.835 5.301 88 HB3 LYS 11 1HB LYS 11 2.951 3.695 5.339 89 HG2 LYS 11 2HG LYS 11 4.302 5.295 4.631 90 HG3 LYS 11 1HG LYS 11 3.390 5.376 3.123 91 HD2 LYS 11 2HD LYS 11 2.980 7.499 3.732 92 HD3 LYS 11 1HD LYS 11 1.781 6.785 4.811 93 HE2 LYS 11 2HE LYS 11 3.059 7.108 6.672 94 HE3 LYS 11 1HE LYS 11 4.578 6.965 5.787 95 HZ1 LYS 11 3HZ LYS 11 4.620 9.177 6.089 96 HZ2 LYS 11 1HZ LYS 11 2.946 9.308 6.302 97 HZ3 LYS 11 2HZ LYS 11 3.596 9.209 4.743 98 H ASP 12 H ASP 12 -0.768 4.043 3.543 99 HA ASP 12 HA ASP 12 -1.484 1.822 5.303 100 HB2 ASP 12 2HB ASP 12 -3.707 2.917 5.400 101 HB3 ASP 12 1HB ASP 12 -2.402 3.987 5.904 102 H CYS 13 H CYS 13 -0.690 1.467 2.466 103 HA CYS 13 HA CYS 13 -2.868 0.976 0.801 104 HB2 CYS 13 2HB CYS 13 -0.049 0.044 0.935 105 HB3 CYS 13 1HB CYS 13 -1.146 -0.872 -0.089 106 HA PRO 14 HA PRO 14 -4.635 -2.638 2.689 107 HB2 PRO 14 2HB PRO 14 -6.127 -3.225 0.300 108 HB3 PRO 14 1HB PRO 14 -6.692 -2.449 1.779 109 HG2 PRO 14 2HG PRO 14 -6.472 -1.178 -0.647 110 HG3 PRO 14 1HG PRO 14 -6.437 -0.353 0.920 111 HD2 PRO 14 2HD PRO 14 -4.164 -1.133 -0.866 112 HD3 PRO 14 1HD PRO 14 -4.395 0.348 0.087 113 H ASN 15 H ASN 15 -2.081 -3.206 1.705 114 HA ASN 15 HA ASN 15 -0.779 -4.959 1.104 115 HB2 ASN 15 2HB ASN 15 -3.143 -6.102 2.144 116 HB3 ASN 15 1HB ASN 15 -2.740 -7.015 0.693 117 HD21 ASN 15 1HD2 ASN 15 -0.080 -7.085 0.652 118 HD22 ASN 15 2HD2 ASN 15 0.548 -7.873 2.056 119 H VAL 16 H VAL 16 0.078 -5.648 -0.759 120 HA VAL 16 HA VAL 16 -1.274 -6.528 -3.028 121 HB VAL 16 HB VAL 16 -2.174 -4.306 -3.269 122 HG11 VAL 16 1HG1 VAL 16 -1.004 -2.674 -2.292 123 HG12 VAL 16 2HG1 VAL 16 -0.143 -2.569 -3.827 124 HG13 VAL 16 3HG1 VAL 16 0.531 -3.516 -2.500 125 HG21 VAL 16 3HG2 VAL 16 -1.605 -5.406 -5.338 126 HG22 VAL 16 1HG2 VAL 16 0.057 -4.824 -5.234 127 HG23 VAL 16 2HG2 VAL 16 -1.262 -3.682 -5.487 128 H ILE 17 H ILE 17 0.558 -7.933 -2.634 129 HA ILE 17 HA ILE 17 2.944 -6.993 -4.053 130 HB ILE 17 HB ILE 17 3.153 -8.635 -1.535 131 HG12 ILE 17 2HG1 ILE 17 3.790 -5.695 -1.808 132 HG13 ILE 17 1HG1 ILE 17 2.262 -6.287 -1.163 133 HG21 ILE 17 1HG2 ILE 17 5.135 -9.042 -2.529 134 HG22 ILE 17 2HG2 ILE 17 5.549 -7.456 -1.879 135 HG23 ILE 17 3HG2 ILE 17 5.035 -7.613 -3.558 136 HD11 ILE 17 3HD1 ILE 17 4.478 -5.715 0.307 137 HD12 ILE 17 1HD1 ILE 17 4.621 -7.460 0.101 138 HD13 ILE 17 2HD1 ILE 17 3.165 -6.774 0.822 139 H SER 18 H SER 18 0.536 -8.971 -4.332 140 HA SER 18 HA SER 18 2.083 -11.391 -4.938 141 HB2 SER 18 2HB SER 18 -0.108 -12.523 -5.083 142 HB3 SER 18 1HB SER 18 0.107 -11.728 -3.523 143 HG SER 18 HG SER 18 -1.582 -10.570 -3.949 144 H SER 19 H SER 19 -0.852 -10.051 -6.422 145 HA SER 19 HA SER 19 0.155 -10.721 -9.051 146 HB2 SER 19 2HB SER 19 -2.362 -9.179 -8.802 147 HB3 SER 19 1HB SER 19 -2.013 -10.624 -9.749 148 HG SER 19 HG SER 19 -2.753 -10.402 -7.045 149 H ILE 20 H ILE 20 -0.168 -7.925 -7.034 150 HA ILE 20 HA ILE 20 0.496 -5.776 -7.261 151 HB ILE 20 HB ILE 20 2.388 -7.263 -8.667 152 HG12 ILE 20 2HG1 ILE 20 2.333 -4.368 -7.811 153 HG13 ILE 20 1HG1 ILE 20 2.917 -5.744 -6.882 154 HG21 ILE 20 1HG2 ILE 20 3.020 -6.012 -10.592 155 HG22 ILE 20 2HG2 ILE 20 1.785 -4.794 -10.280 156 HG23 ILE 20 3HG2 ILE 20 1.313 -6.422 -10.768 157 HD11 ILE 20 3HD1 ILE 20 4.165 -4.639 -9.390 158 HD12 ILE 20 1HD1 ILE 20 4.740 -6.042 -8.490 159 HD13 ILE 20 2HD1 ILE 20 4.766 -4.445 -7.743 160 H CYS 21 H CYS 21 -0.329 -3.931 -8.107 161 HA CYS 21 HA CYS 21 -2.579 -4.027 -9.726 162 HB2 CYS 21 2HB CYS 21 -0.792 -1.621 -9.381 163 HB3 CYS 21 1HB CYS 21 -2.515 -1.624 -9.742 164 H ALA 22 H ALA 22 0.734 -3.176 -10.553 165 HA ALA 22 HA ALA 22 0.238 -2.561 -13.266 166 HB1 ALA 22 1HB ALA 22 2.907 -3.494 -12.946 167 HB2 ALA 22 2HB ALA 22 2.463 -2.563 -11.516 168 HB3 ALA 22 3HB ALA 22 2.329 -1.836 -13.117 169 H GLY 23 H GLY 23 2.083 -4.012 -14.707 170 HA2 GLY 23 2HA GLY 23 0.774 -6.652 -14.776 171 HA3 GLY 23 1HA GLY 23 1.439 -5.830 -16.179 172 H THR 24 H THR 24 2.865 -6.362 -12.974 173 HA THR 24 HA THR 24 4.827 -7.312 -12.332 174 HB THR 24 HB THR 24 4.692 -9.183 -14.666 175 HG1 THR 24 1HG THR 24 2.955 -9.233 -12.425 176 HG21 THR 24 3HG2 THR 24 5.240 -9.639 -11.743 177 HG22 THR 24 1HG2 THR 24 6.451 -9.535 -13.021 178 HG23 THR 24 2HG2 THR 24 5.287 -10.859 -13.015 179 H ILE 25 H ILE 25 6.167 -5.558 -12.792 180 HA ILE 25 HA ILE 25 7.851 -5.922 -15.174 181 HB ILE 25 HB ILE 25 6.999 -3.214 -14.152 182 HG12 ILE 25 2HG1 ILE 25 5.079 -4.422 -15.118 183 HG13 ILE 25 1HG1 ILE 25 5.567 -3.065 -16.130 184 HG21 ILE 25 1HG2 ILE 25 8.460 -4.058 -16.651 185 HG22 ILE 25 2HG2 ILE 25 9.166 -3.246 -15.254 186 HG23 ILE 25 3HG2 ILE 25 7.975 -2.410 -16.251 187 HD11 ILE 25 3HD1 ILE 25 5.632 -4.460 -17.841 188 HD12 ILE 25 1HD1 ILE 25 5.365 -5.846 -16.784 189 HD13 ILE 25 2HD1 ILE 25 7.003 -5.264 -17.079 190 H ILE 26 H ILE 26 7.707 -3.736 -12.357 191 HA ILE 26 HA ILE 26 10.238 -4.807 -11.396 192 HB ILE 26 HB ILE 26 10.865 -2.225 -11.051 193 HG12 ILE 26 2HG1 ILE 26 9.972 -1.993 -13.860 194 HG13 ILE 26 1HG1 ILE 26 8.692 -1.902 -12.655 195 HG21 ILE 26 1HG2 ILE 26 12.329 -2.453 -13.043 196 HG22 ILE 26 2HG2 ILE 26 11.434 -3.908 -13.484 197 HG23 ILE 26 3HG2 ILE 26 12.353 -3.861 -11.979 198 HD11 ILE 26 3HD1 ILE 26 9.444 0.072 -11.806 199 HD12 ILE 26 1HD1 ILE 26 9.960 0.242 -13.485 200 HD13 ILE 26 2HD1 ILE 26 11.121 -0.247 -12.251 201 H THR 27 H THR 27 8.502 -1.777 -10.705 202 HA THR 27 HA THR 27 7.393 -2.817 -8.259 203 HB THR 27 HB THR 27 8.896 -0.479 -7.529 204 HG1 THR 27 1HG THR 27 10.481 -2.705 -8.274 205 HG21 THR 27 3HG2 THR 27 9.053 -3.309 -6.519 206 HG22 THR 27 1HG2 THR 27 7.990 -2.043 -5.905 207 HG23 THR 27 2HG2 THR 27 9.738 -1.887 -5.732 208 H ALA 28 H ALA 28 5.407 -2.084 -8.920 209 HA ALA 28 HA ALA 28 5.151 0.839 -9.162 210 HB1 ALA 28 1HB ALA 28 3.581 0.632 -10.845 211 HB2 ALA 28 2HB ALA 28 3.236 -1.054 -10.454 212 HB3 ALA 28 3HB ALA 28 4.760 -0.621 -11.232 213 H CYS 29 H CYS 29 3.623 -2.147 -8.053 214 HA CYS 29 HA CYS 29 2.095 -0.540 -6.121 215 HB2 CYS 29 2HB CYS 29 0.987 -2.023 -8.216 216 HB3 CYS 29 1HB CYS 29 0.755 -3.022 -6.785 217 H LYS 30 H LYS 30 4.629 -2.354 -6.199 218 HA LYS 30 HA LYS 30 3.972 -4.480 -4.383 219 HB2 LYS 30 2HB LYS 30 6.025 -4.055 -6.128 220 HB3 LYS 30 1HB LYS 30 6.793 -3.666 -4.595 221 HG2 LYS 30 2HG LYS 30 6.463 -5.819 -3.750 222 HG3 LYS 30 1HG LYS 30 5.254 -6.209 -4.976 223 HD2 LYS 30 2HD LYS 30 7.179 -5.863 -6.660 224 HD3 LYS 30 1HD LYS 30 8.234 -6.022 -5.254 225 HE2 LYS 30 2HE LYS 30 6.112 -8.064 -5.761 226 HE3 LYS 30 1HE LYS 30 7.620 -8.124 -6.673 227 HZ1 LYS 30 3HZ LYS 30 8.851 -8.517 -4.768 228 HZ2 LYS 30 1HZ LYS 30 7.455 -9.432 -4.493 229 HZ3 LYS 30 2HZ LYS 30 7.650 -7.936 -3.730 230 H ASN 31 H ASN 31 5.107 -1.203 -4.143 231 HA ASN 31 HA ASN 31 4.813 -1.330 -1.247 232 HB2 ASN 31 2HB ASN 31 7.302 -1.646 -2.126 233 HB3 ASN 31 1HB ASN 31 7.228 0.110 -2.244 234 HD21 ASN 31 1HD2 ASN 31 7.393 -2.610 -0.155 235 HD22 ASN 31 2HD2 ASN 31 7.554 -1.739 1.329 236 H CYS 32 H CYS 32 5.203 1.008 -0.345 237 HA CYS 32 HA CYS 32 4.243 3.025 -2.236 238 HB2 CYS 32 2HB CYS 32 2.542 1.750 -0.421 239 HB3 CYS 32 1HB CYS 32 2.903 3.303 0.321 240 H ALA 33 H ALA 33 4.871 2.677 1.262 241 HA ALA 33 HA ALA 33 6.202 3.843 2.693 242 HB1 ALA 33 1HB ALA 33 8.098 5.202 1.368 243 HB2 ALA 33 2HB ALA 33 7.632 4.049 0.118 244 HB3 ALA 33 3HB ALA 33 8.192 3.470 1.687 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 -15.189 6.541 -14.856 2 H2 ALA 1 2HT ALA 1 -14.037 7.704 -15.371 3 H3 ALA 1 3HT ALA 1 -15.065 6.944 -16.516 4 HA ALA 1 HA ALA 1 -15.886 9.072 -16.171 5 HB1 ALA 1 2HB ALA 1 -17.378 6.853 -15.918 6 HB2 ALA 1 3HB ALA 1 -18.049 8.484 -15.894 7 HB3 ALA 1 1HB ALA 1 -17.739 7.636 -14.380 8 H ASP 2 H ASP 2 -15.662 7.381 -13.046 9 HA ASP 2 HA ASP 2 -14.960 9.924 -11.784 10 HB2 ASP 2 2HB ASP 2 -17.516 9.075 -11.583 11 HB3 ASP 2 1HB ASP 2 -16.808 8.219 -10.217 12 H ARG 3 H ARG 3 -14.676 9.238 -9.225 13 HA ARG 3 HA ARG 3 -13.161 6.739 -9.106 14 HB2 ARG 3 2HB ARG 3 -11.219 7.822 -8.121 15 HB3 ARG 3 1HB ARG 3 -11.541 8.491 -9.714 16 HG2 ARG 3 2HG ARG 3 -11.848 10.543 -8.908 17 HG3 ARG 3 1HG ARG 3 -12.869 9.966 -7.590 18 HD2 ARG 3 2HD ARG 3 -11.154 9.880 -6.126 19 HD3 ARG 3 1HD ARG 3 -10.008 9.324 -7.345 20 HE ARG 3 HE ARG 3 -10.772 12.066 -7.682 21 HH11 ARG 3 1HH1 ARG 3 -8.613 9.906 -5.995 22 HH12 ARG 3 2HH1 ARG 3 -7.409 11.120 -5.725 23 HH21 ARG 3 1HH2 ARG 3 -9.188 13.664 -7.333 24 HH22 ARG 3 2HH2 ARG 3 -7.734 13.254 -6.483 25 H GLY 4 H GLY 4 -12.392 6.338 -6.790 26 HA2 GLY 4 2HA GLY 4 -14.015 7.607 -4.740 27 HA3 GLY 4 1HA GLY 4 -14.379 5.917 -5.053 28 H TRP 5 H TRP 5 -12.975 4.331 -4.362 29 HA TRP 5 HA TRP 5 -11.201 5.098 -2.229 30 HB2 TRP 5 2HB TRP 5 -12.695 2.817 -2.862 31 HB3 TRP 5 1HB TRP 5 -11.015 2.305 -2.989 32 HD1 TRP 5 HD TRP 5 -9.566 2.269 -0.749 33 HE1 TRP 5 1HE TRP 5 -10.231 2.300 1.737 34 HE3 TRP 5 3HE TRP 5 -14.427 3.781 -1.227 35 HZ2 TRP 5 2HZ TRP 5 -12.513 2.888 3.290 36 HZ3 TRP 5 3HZ TRP 5 -15.782 4.053 0.809 37 HH2 TRP 5 HH TRP 5 -14.843 3.615 3.020 38 H ILE 6 H ILE 6 -9.084 3.550 -2.210 39 HA ILE 6 HA ILE 6 -7.727 3.752 -4.796 40 HB ILE 6 HB ILE 6 -6.481 4.829 -2.268 41 HG12 ILE 6 2HG1 ILE 6 -6.732 6.994 -3.876 42 HG13 ILE 6 1HG1 ILE 6 -8.193 6.114 -4.313 43 HG21 ILE 6 1HG2 ILE 6 -4.619 5.316 -3.497 44 HG22 ILE 6 2HG2 ILE 6 -5.517 5.459 -5.008 45 HG23 ILE 6 3HG2 ILE 6 -5.163 3.866 -4.341 46 HD11 ILE 6 3HD1 ILE 6 -8.151 7.864 -2.346 47 HD12 ILE 6 1HD1 ILE 6 -7.596 6.461 -1.431 48 HD13 ILE 6 2HD1 ILE 6 -9.145 6.409 -2.273 49 H LYS 7 H LYS 7 -6.368 2.099 -5.192 50 HA LYS 7 HA LYS 7 -6.042 0.096 -3.082 51 HB2 LYS 7 2HB LYS 7 -5.274 -1.351 -5.028 52 HB3 LYS 7 1HB LYS 7 -6.963 -0.863 -5.035 53 HG2 LYS 7 2HG LYS 7 -6.602 0.727 -6.737 54 HG3 LYS 7 1HG LYS 7 -4.848 0.626 -6.561 55 HD2 LYS 7 2HD LYS 7 -4.897 -1.678 -7.378 56 HD3 LYS 7 1HD LYS 7 -6.652 -1.587 -7.541 57 HE2 LYS 7 2HE LYS 7 -6.546 -0.344 -9.429 58 HE3 LYS 7 1HE LYS 7 -5.114 0.534 -8.896 59 HZ1 LYS 7 3HZ LYS 7 -3.832 -1.536 -9.356 60 HZ2 LYS 7 1HZ LYS 7 -4.497 -0.809 -10.732 61 HZ3 LYS 7 2HZ LYS 7 -5.220 -2.187 -10.070 62 H DBB 8 H DBB 8 -4.461 2.497 -3.041 63 HA DBB 8 HA DBB 8 -1.870 2.024 -4.088 64 HB3 DBB 8 HB DBB 8 -1.821 0.249 -2.417 65 HG1 DBB 8 3HG2 DBB 8 0.137 0.808 -1.203 66 HG2 DBB 8 1HG2 DBB 8 -0.232 2.531 -1.265 67 HG3 DBB 8 2HG2 DBB 8 0.247 1.679 -2.731 68 H LEU 9 H LEU 9 -3.745 3.509 -1.479 69 HA LEU 9 HA LEU 9 -3.222 6.128 -2.227 70 HB2 LEU 9 2HB LEU 9 -4.158 6.801 -0.142 71 HB3 LEU 9 1HB LEU 9 -5.034 5.387 -0.697 72 HG LEU 9 HG LEU 9 -2.791 4.779 1.103 73 HD11 LEU 9 1HD1 LEU 9 -4.518 5.427 3.026 74 HD12 LEU 9 2HD1 LEU 9 -4.911 6.698 1.870 75 HD13 LEU 9 3HD1 LEU 9 -3.261 6.529 2.468 76 HD21 LEU 9 3HD2 LEU 9 -4.412 3.108 0.335 77 HD22 LEU 9 1HD2 LEU 9 -5.712 4.021 1.099 78 HD23 LEU 9 2HD2 LEU 9 -4.450 3.289 2.089 79 H DBB 10 H DBB 10 -1.298 3.941 -0.331 80 HA DBB 10 HA DBB 10 0.386 5.997 0.766 81 HB3 DBB 10 HB DBB 10 0.917 5.620 -1.779 82 HG1 DBB 10 3HG2 DBB 10 3.354 6.011 -1.340 83 HG2 DBB 10 1HG2 DBB 10 3.007 5.811 0.376 84 HG3 DBB 10 2HG2 DBB 10 2.252 7.121 -0.527 85 H LYS 11 H LYS 11 1.191 5.289 2.618 86 HA LYS 11 HA LYS 11 2.163 2.605 2.959 87 HB2 LYS 11 2HB LYS 11 1.893 4.951 4.834 88 HB3 LYS 11 1HB LYS 11 2.511 3.389 5.349 89 HG2 LYS 11 2HG LYS 11 4.225 3.636 3.480 90 HG3 LYS 11 1HG LYS 11 3.720 5.326 3.408 91 HD2 LYS 11 2HD LYS 11 5.321 5.627 4.963 92 HD3 LYS 11 1HD LYS 11 4.098 5.013 6.076 93 HE2 LYS 11 2HE LYS 11 5.155 3.035 6.358 94 HE3 LYS 11 1HE LYS 11 5.716 2.975 4.688 95 HZ1 LYS 11 3HZ LYS 11 6.906 5.009 6.403 96 HZ2 LYS 11 1HZ LYS 11 7.614 4.066 5.189 97 HZ3 LYS 11 2HZ LYS 11 7.337 3.405 6.721 98 H ASP 12 H ASP 12 -0.895 3.958 3.113 99 HA ASP 12 HA ASP 12 -1.860 2.272 5.276 100 HB2 ASP 12 2HB ASP 12 -2.871 4.594 3.777 101 HB3 ASP 12 1HB ASP 12 -4.098 3.401 4.193 102 H CYS 13 H CYS 13 -0.828 1.087 2.751 103 HA CYS 13 HA CYS 13 -3.280 -0.258 1.829 104 HB2 CYS 13 2HB CYS 13 -0.638 0.200 0.442 105 HB3 CYS 13 1HB CYS 13 -1.874 -0.889 -0.177 106 HA PRO 14 HA PRO 14 -1.197 -3.530 4.245 107 HB2 PRO 14 2HB PRO 14 -3.866 -4.735 4.267 108 HB3 PRO 14 1HB PRO 14 -2.853 -4.239 5.625 109 HG2 PRO 14 2HG PRO 14 -5.105 -2.916 4.951 110 HG3 PRO 14 1HG PRO 14 -3.690 -2.094 5.638 111 HD2 PRO 14 2HD PRO 14 -4.590 -2.252 2.783 112 HD3 PRO 14 1HD PRO 14 -3.944 -0.865 3.686 113 H ASN 15 H ASN 15 -3.135 -3.662 1.382 114 HA ASN 15 HA ASN 15 -2.095 -6.353 0.791 115 HB2 ASN 15 2HB ASN 15 -4.647 -4.975 0.100 116 HB3 ASN 15 1HB ASN 15 -3.990 -6.122 -1.064 117 HD21 ASN 15 1HD2 ASN 15 -5.591 -7.623 -0.805 118 HD22 ASN 15 2HD2 ASN 15 -5.792 -8.552 0.638 119 H VAL 16 H VAL 16 -3.391 -3.949 -1.451 120 HA VAL 16 HA VAL 16 -2.590 -3.254 -3.478 121 HB VAL 16 HB VAL 16 -1.636 -1.603 -1.970 122 HG11 VAL 16 1HG1 VAL 16 0.810 -1.851 -1.347 123 HG12 VAL 16 2HG1 VAL 16 0.631 -3.560 -1.741 124 HG13 VAL 16 3HG1 VAL 16 -0.340 -2.846 -0.455 125 HG21 VAL 16 3HG2 VAL 16 -0.942 -0.798 -3.934 126 HG22 VAL 16 1HG2 VAL 16 -0.404 -2.382 -4.494 127 HG23 VAL 16 2HG2 VAL 16 0.651 -1.401 -3.477 128 H ILE 17 H ILE 17 -2.479 -5.803 -3.799 129 HA ILE 17 HA ILE 17 0.183 -6.322 -4.924 130 HB ILE 17 HB ILE 17 0.175 -7.718 -3.041 131 HG12 ILE 17 2HG1 ILE 17 -0.857 -9.545 -5.207 132 HG13 ILE 17 1HG1 ILE 17 0.737 -8.798 -5.271 133 HG21 ILE 17 1HG2 ILE 17 -2.288 -7.465 -2.619 134 HG22 ILE 17 2HG2 ILE 17 -1.626 -9.065 -2.281 135 HG23 ILE 17 3HG2 ILE 17 -2.542 -8.785 -3.761 136 HD11 ILE 17 3HD1 ILE 17 1.314 -9.906 -3.156 137 HD12 ILE 17 1HD1 ILE 17 0.894 -11.053 -4.429 138 HD13 ILE 17 2HD1 ILE 17 -0.267 -10.686 -3.154 139 H SER 18 H SER 18 0.213 -7.000 -6.929 140 HA SER 18 HA SER 18 -1.534 -8.620 -8.296 141 HB2 SER 18 2HB SER 18 -2.471 -6.458 -9.709 142 HB3 SER 18 1HB SER 18 -3.392 -7.342 -8.494 143 HG SER 18 HG SER 18 -1.705 -5.185 -7.800 144 H SER 19 H SER 19 -0.468 -5.397 -9.337 145 HA SER 19 HA SER 19 1.706 -6.620 -10.874 146 HB2 SER 19 2HB SER 19 1.001 -4.906 -12.734 147 HB3 SER 19 1HB SER 19 0.188 -6.468 -12.626 148 HG SER 19 HG SER 19 -1.414 -4.975 -12.753 149 H ILE 20 H ILE 20 2.985 -5.679 -9.175 150 HA ILE 20 HA ILE 20 4.466 -4.130 -8.438 151 HB ILE 20 HB ILE 20 3.921 -3.271 -11.079 152 HG12 ILE 20 2HG1 ILE 20 6.105 -2.603 -9.100 153 HG13 ILE 20 1HG1 ILE 20 6.108 -3.895 -10.295 154 HG21 ILE 20 1HG2 ILE 20 2.676 -1.383 -10.100 155 HG22 ILE 20 2HG2 ILE 20 4.122 -0.862 -10.963 156 HG23 ILE 20 3HG2 ILE 20 4.121 -0.919 -9.200 157 HD11 ILE 20 3HD1 ILE 20 6.829 -1.091 -10.569 158 HD12 ILE 20 1HD1 ILE 20 5.745 -1.663 -11.837 159 HD13 ILE 20 2HD1 ILE 20 7.279 -2.485 -11.552 160 H CYS 21 H CYS 21 4.541 -2.133 -7.216 161 HA CYS 21 HA CYS 21 1.862 -1.326 -6.300 162 HB2 CYS 21 2HB CYS 21 4.126 -0.811 -4.486 163 HB3 CYS 21 1HB CYS 21 2.520 -1.421 -4.137 164 H ALA 22 H ALA 22 4.908 -0.236 -7.508 165 HA ALA 22 HA ALA 22 4.304 2.550 -6.873 166 HB1 ALA 22 1HB ALA 22 6.636 2.592 -8.309 167 HB2 ALA 22 2HB ALA 22 6.722 1.031 -7.493 168 HB3 ALA 22 3HB ALA 22 6.519 2.507 -6.552 169 H GLY 23 H GLY 23 5.318 3.943 -8.921 170 HA2 GLY 23 2HA GLY 23 3.669 3.103 -11.228 171 HA3 GLY 23 1HA GLY 23 3.820 4.776 -10.710 172 H THR 24 H THR 24 6.165 2.160 -11.307 173 HA THR 24 HA THR 24 7.313 3.654 -13.514 174 HB THR 24 HB THR 24 9.212 2.822 -11.353 175 HG1 THR 24 1HG THR 24 8.915 4.660 -10.261 176 HG21 THR 24 3HG2 THR 24 9.289 5.048 -13.374 177 HG22 THR 24 1HG2 THR 24 10.155 3.515 -13.480 178 HG23 THR 24 2HG2 THR 24 10.551 4.665 -12.204 179 H ILE 25 H ILE 25 8.982 2.414 -14.661 180 HA ILE 25 HA ILE 25 8.445 -0.467 -14.445 181 HB ILE 25 HB ILE 25 9.298 -0.619 -16.758 182 HG12 ILE 25 2HG1 ILE 25 9.095 2.161 -17.468 183 HG13 ILE 25 1HG1 ILE 25 10.297 1.969 -16.195 184 HG21 ILE 25 1HG2 ILE 25 7.124 1.452 -16.534 185 HG22 ILE 25 2HG2 ILE 25 6.885 -0.264 -16.205 186 HG23 ILE 25 3HG2 ILE 25 7.357 0.267 -17.820 187 HD11 ILE 25 3HD1 ILE 25 11.394 0.228 -17.576 188 HD12 ILE 25 1HD1 ILE 25 11.383 1.828 -18.316 189 HD13 ILE 25 2HD1 ILE 25 10.250 0.594 -18.868 190 H ILE 26 H ILE 26 10.384 1.013 -12.783 191 HA ILE 26 HA ILE 26 12.666 -0.720 -13.282 192 HB ILE 26 HB ILE 26 13.094 2.243 -12.904 193 HG12 ILE 26 2HG1 ILE 26 13.318 0.595 -15.435 194 HG13 ILE 26 1HG1 ILE 26 12.092 1.815 -15.107 195 HG21 ILE 26 1HG2 ILE 26 15.043 1.360 -12.161 196 HG22 ILE 26 2HG2 ILE 26 15.399 1.318 -13.889 197 HG23 ILE 26 3HG2 ILE 26 14.839 -0.139 -13.069 198 HD11 ILE 26 3HD1 ILE 26 14.831 2.115 -16.039 199 HD12 ILE 26 1HD1 ILE 26 14.409 3.204 -14.718 200 HD13 ILE 26 2HD1 ILE 26 13.448 3.199 -16.197 201 H THR 27 H THR 27 10.796 -0.960 -11.283 202 HA THR 27 HA THR 27 12.458 -0.734 -8.947 203 HB THR 27 HB THR 27 10.238 0.374 -7.833 204 HG1 THR 27 1HG THR 27 10.572 1.687 -10.321 205 HG21 THR 27 3HG2 THR 27 12.497 1.950 -9.041 206 HG22 THR 27 1HG2 THR 27 12.523 1.155 -7.466 207 HG23 THR 27 2HG2 THR 27 11.407 2.488 -7.763 208 H ALA 28 H ALA 28 11.342 -1.674 -6.998 209 HA ALA 28 HA ALA 28 9.433 -3.765 -7.827 210 HB1 ALA 28 1HB ALA 28 11.448 -4.093 -5.620 211 HB2 ALA 28 2HB ALA 28 11.797 -4.523 -7.295 212 HB3 ALA 28 3HB ALA 28 10.495 -5.337 -6.428 213 H CYS 29 H CYS 29 9.062 -1.044 -6.611 214 HA CYS 29 HA CYS 29 8.021 0.000 -4.862 215 HB2 CYS 29 2HB CYS 29 5.783 -0.890 -4.436 216 HB3 CYS 29 1HB CYS 29 6.164 -0.895 -6.151 217 H LYS 30 H LYS 30 9.894 -0.552 -3.430 218 HA LYS 30 HA LYS 30 9.581 -2.682 -1.542 219 HB2 LYS 30 2HB LYS 30 11.662 -0.982 -2.333 220 HB3 LYS 30 1HB LYS 30 11.361 -0.581 -0.647 221 HG2 LYS 30 2HG LYS 30 13.066 -2.282 -0.817 222 HG3 LYS 30 1HG LYS 30 11.622 -2.943 -0.049 223 HD2 LYS 30 2HD LYS 30 11.034 -3.615 -2.534 224 HD3 LYS 30 1HD LYS 30 12.784 -3.509 -2.732 225 HE2 LYS 30 2HE LYS 30 13.186 -5.274 -1.316 226 HE3 LYS 30 1HE LYS 30 11.689 -5.031 -0.416 227 HZ1 LYS 30 3HZ LYS 30 12.042 -6.970 -2.205 228 HZ2 LYS 30 1HZ LYS 30 11.371 -5.778 -3.202 229 HZ3 LYS 30 2HZ LYS 30 10.529 -6.309 -1.835 230 H ASN 31 H ASN 31 8.747 0.694 -1.679 231 HA ASN 31 HA ASN 31 7.040 0.414 0.629 232 HB2 ASN 31 2HB ASN 31 9.226 2.504 0.695 233 HB3 ASN 31 1HB ASN 31 8.009 2.210 1.932 234 HD21 ASN 31 1HD2 ASN 31 8.392 0.733 3.466 235 HD22 ASN 31 2HD2 ASN 31 9.794 -0.272 3.536 236 H CYS 32 H CYS 32 5.433 2.006 0.732 237 HA CYS 32 HA CYS 32 4.894 3.314 -1.763 238 HB2 CYS 32 2HB CYS 32 3.285 2.306 0.155 239 HB3 CYS 32 1HB CYS 32 3.254 4.007 0.606 240 H ALA 33 H ALA 33 5.541 4.439 1.549 241 HA ALA 33 HA ALA 33 5.390 7.172 1.110 242 HB1 ALA 33 1HB ALA 33 5.932 7.240 3.263 243 HB2 ALA 33 2HB ALA 33 7.534 6.580 2.935 244 HB3 ALA 33 3HB ALA 33 6.171 5.494 3.207 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 -22.894 6.799 -3.602 2 H2 ALA 1 2HT ALA 1 -22.447 5.142 -3.622 3 H3 ALA 1 3HT ALA 1 -22.296 6.091 -5.044 4 HA ALA 1 HA ALA 1 -20.704 7.493 -3.870 5 HB1 ALA 1 2HB ALA 1 -20.066 7.113 -1.739 6 HB2 ALA 1 3HB ALA 1 -20.223 5.362 -1.889 7 HB3 ALA 1 1HB ALA 1 -21.656 6.357 -1.626 8 H ASP 2 H ASP 2 -19.034 7.231 -5.177 9 HA ASP 2 HA ASP 2 -17.909 4.536 -5.521 10 HB2 ASP 2 2HB ASP 2 -17.409 5.286 -7.934 11 HB3 ASP 2 1HB ASP 2 -19.062 4.817 -7.550 12 H ARG 3 H ARG 3 -17.323 7.995 -6.141 13 HA ARG 3 HA ARG 3 -15.439 9.267 -6.024 14 HB2 ARG 3 2HB ARG 3 -14.571 7.284 -3.917 15 HB3 ARG 3 1HB ARG 3 -14.038 8.950 -4.088 16 HG2 ARG 3 2HG ARG 3 -16.861 8.973 -3.883 17 HG3 ARG 3 1HG ARG 3 -16.234 7.924 -2.610 18 HD2 ARG 3 2HD ARG 3 -15.006 9.635 -1.633 19 HD3 ARG 3 1HD ARG 3 -14.999 10.604 -3.106 20 HE ARG 3 HE ARG 3 -17.019 10.569 -1.063 21 HH11 ARG 3 1HH1 ARG 3 -16.363 11.247 -4.424 22 HH12 ARG 3 2HH1 ARG 3 -17.689 12.348 -4.590 23 HH21 ARG 3 1HH2 ARG 3 -18.764 12.015 -1.279 24 HH22 ARG 3 2HH2 ARG 3 -19.053 12.784 -2.804 25 H GLY 4 H GLY 4 -15.456 7.015 -7.896 26 HA2 GLY 4 2HA GLY 4 -14.013 6.021 -9.380 27 HA3 GLY 4 1HA GLY 4 -12.814 7.181 -8.830 28 H TRP 5 H TRP 5 -11.762 4.893 -9.500 29 HA TRP 5 HA TRP 5 -11.600 3.184 -7.130 30 HB2 TRP 5 2HB TRP 5 -11.858 2.390 -9.634 31 HB3 TRP 5 1HB TRP 5 -10.109 2.600 -9.656 32 HD1 TRP 5 HD TRP 5 -8.801 1.184 -7.561 33 HE1 TRP 5 1HE TRP 5 -9.283 -1.219 -6.776 34 HE3 TRP 5 3HE TRP 5 -13.533 0.656 -9.422 35 HZ2 TRP 5 2HZ TRP 5 -11.391 -3.091 -6.925 36 HZ3 TRP 5 3HZ TRP 5 -14.712 -1.474 -9.058 37 HH2 TRP 5 HH TRP 5 -13.662 -3.307 -7.835 38 H ILE 6 H ILE 6 -9.644 2.706 -6.109 39 HA ILE 6 HA ILE 6 -7.348 4.396 -6.822 40 HB ILE 6 HB ILE 6 -8.536 5.479 -4.961 41 HG12 ILE 6 2HG1 ILE 6 -6.112 4.364 -3.643 42 HG13 ILE 6 1HG1 ILE 6 -5.890 5.151 -5.202 43 HG21 ILE 6 1HG2 ILE 6 -7.818 3.376 -3.026 44 HG22 ILE 6 2HG2 ILE 6 -9.164 3.007 -4.104 45 HG23 ILE 6 3HG2 ILE 6 -9.223 4.441 -3.080 46 HD11 ILE 6 3HD1 ILE 6 -5.583 6.924 -3.818 47 HD12 ILE 6 1HD1 ILE 6 -6.683 6.300 -2.589 48 HD13 ILE 6 2HD1 ILE 6 -7.327 7.040 -4.056 49 H LYS 7 H LYS 7 -5.359 3.477 -6.543 50 HA LYS 7 HA LYS 7 -5.281 0.766 -5.397 51 HB2 LYS 7 2HB LYS 7 -3.742 0.073 -7.153 52 HB3 LYS 7 1HB LYS 7 -5.251 0.642 -7.855 53 HG2 LYS 7 2HG LYS 7 -3.624 2.897 -7.745 54 HG3 LYS 7 1HG LYS 7 -2.558 1.589 -8.261 55 HD2 LYS 7 2HD LYS 7 -3.592 1.364 -10.255 56 HD3 LYS 7 1HD LYS 7 -5.193 1.657 -9.572 57 HE2 LYS 7 2HE LYS 7 -5.022 3.939 -9.800 58 HE3 LYS 7 1HE LYS 7 -3.260 3.920 -9.739 59 HZ1 LYS 7 3HZ LYS 7 -3.766 4.392 -11.945 60 HZ2 LYS 7 1HZ LYS 7 -5.027 3.265 -12.014 61 HZ3 LYS 7 2HZ LYS 7 -3.420 2.736 -11.971 62 H DBB 8 H DBB 8 -4.157 0.997 -3.566 63 HA DBB 8 HA DBB 8 -1.410 1.734 -3.671 64 HB3 DBB 8 HB DBB 8 -3.089 1.296 -1.189 65 HG1 DBB 8 3HG2 DBB 8 -2.655 -1.001 -1.281 66 HG2 DBB 8 1HG2 DBB 8 -1.453 -0.816 -2.560 67 HG3 DBB 8 2HG2 DBB 8 -3.165 -0.597 -2.918 68 H LEU 9 H LEU 9 -3.439 3.037 -1.082 69 HA LEU 9 HA LEU 9 -3.058 5.741 -2.078 70 HB2 LEU 9 2HB LEU 9 -4.452 6.349 -0.048 71 HB3 LEU 9 1HB LEU 9 -5.238 5.429 -1.312 72 HG LEU 9 HG LEU 9 -5.691 4.808 1.149 73 HD11 LEU 9 1HD1 LEU 9 -5.752 3.375 -1.222 74 HD12 LEU 9 2HD1 LEU 9 -6.565 2.964 0.288 75 HD13 LEU 9 3HD1 LEU 9 -4.975 2.289 -0.068 76 HD21 LEU 9 3HD2 LEU 9 -3.009 3.482 0.762 77 HD22 LEU 9 1HD2 LEU 9 -4.134 3.142 2.076 78 HD23 LEU 9 2HD2 LEU 9 -3.402 4.740 1.933 79 H DBB 10 H DBB 10 -0.737 4.243 -1.088 80 HA DBB 10 HA DBB 10 0.002 6.061 1.105 81 HB3 DBB 10 HB DBB 10 1.490 6.765 -0.469 82 HG1 DBB 10 3HG2 DBB 10 2.992 5.728 1.163 83 HG2 DBB 10 1HG2 DBB 10 3.644 5.623 -0.472 84 HG3 DBB 10 2HG2 DBB 10 2.907 4.207 0.278 85 H LYS 11 H LYS 11 1.623 5.277 2.626 86 HA LYS 11 HA LYS 11 2.387 2.593 2.853 87 HB2 LYS 11 2HB LYS 11 2.022 4.564 5.113 88 HB3 LYS 11 1HB LYS 11 3.039 3.129 5.121 89 HG2 LYS 11 2HG LYS 11 4.696 4.126 3.961 90 HG3 LYS 11 1HG LYS 11 3.584 5.096 2.993 91 HD2 LYS 11 2HD LYS 11 3.146 6.368 5.203 92 HD3 LYS 11 1HD LYS 11 4.653 5.625 5.743 93 HE2 LYS 11 2HE LYS 11 5.929 6.784 4.214 94 HE3 LYS 11 1HE LYS 11 4.576 7.024 3.108 95 HZ1 LYS 11 3HZ LYS 11 3.638 8.507 4.931 96 HZ2 LYS 11 1HZ LYS 11 4.951 9.106 4.047 97 HZ3 LYS 11 2HZ LYS 11 5.189 8.486 5.602 98 H ASP 12 H ASP 12 -0.643 4.070 3.438 99 HA ASP 12 HA ASP 12 -1.545 2.083 5.337 100 HB2 ASP 12 2HB ASP 12 -2.882 4.406 3.962 101 HB3 ASP 12 1HB ASP 12 -3.786 3.260 4.948 102 H CYS 13 H CYS 13 -0.820 1.668 2.278 103 HA CYS 13 HA CYS 13 -2.964 0.846 0.804 104 HB2 CYS 13 2HB CYS 13 -0.159 -0.174 1.033 105 HB3 CYS 13 1HB CYS 13 -1.304 -1.029 0.009 106 HA PRO 14 HA PRO 14 -4.458 -2.325 3.711 107 HB2 PRO 14 2HB PRO 14 -6.946 -2.135 2.194 108 HB3 PRO 14 1HB PRO 14 -6.648 -1.770 3.894 109 HG2 PRO 14 2HG PRO 14 -7.189 0.150 2.064 110 HG3 PRO 14 1HG PRO 14 -6.149 0.433 3.471 111 HD2 PRO 14 2HD PRO 14 -5.382 -0.115 0.626 112 HD3 PRO 14 1HD PRO 14 -4.691 1.053 1.773 113 H ASN 15 H ASN 15 -4.015 -2.316 0.346 114 HA ASN 15 HA ASN 15 -5.021 -5.019 -0.038 115 HB2 ASN 15 2HB ASN 15 -4.973 -2.893 -1.708 116 HB3 ASN 15 1HB ASN 15 -3.492 -3.706 -2.202 117 HD21 ASN 15 1HD2 ASN 15 -4.552 -4.027 -4.231 118 HD22 ASN 15 2HD2 ASN 15 -5.662 -5.337 -4.429 119 H VAL 16 H VAL 16 -1.918 -3.294 -0.324 120 HA VAL 16 HA VAL 16 -0.539 -5.883 -0.337 121 HB VAL 16 HB VAL 16 1.493 -4.454 -0.902 122 HG11 VAL 16 1HG1 VAL 16 1.022 -4.512 -3.211 123 HG12 VAL 16 2HG1 VAL 16 -0.708 -4.295 -2.944 124 HG13 VAL 16 3HG1 VAL 16 0.070 -5.815 -2.500 125 HG21 VAL 16 3HG2 VAL 16 -0.464 -2.375 -1.785 126 HG22 VAL 16 1HG2 VAL 16 1.273 -2.238 -1.520 127 HG23 VAL 16 2HG2 VAL 16 0.177 -2.339 -0.142 128 H ILE 17 H ILE 17 0.391 -6.601 1.437 129 HA ILE 17 HA ILE 17 1.327 -4.678 3.455 130 HB ILE 17 HB ILE 17 0.358 -7.234 4.546 131 HG12 ILE 17 2HG1 ILE 17 -1.628 -5.191 3.520 132 HG13 ILE 17 1HG1 ILE 17 -1.399 -6.809 2.864 133 HG21 ILE 17 1HG2 ILE 17 0.014 -6.004 6.421 134 HG22 ILE 17 2HG2 ILE 17 -0.553 -4.593 5.528 135 HG23 ILE 17 3HG2 ILE 17 1.174 -4.941 5.622 136 HD11 ILE 17 3HD1 ILE 17 -2.487 -7.807 4.593 137 HD12 ILE 17 1HD1 ILE 17 -3.314 -6.249 4.594 138 HD13 ILE 17 2HD1 ILE 17 -2.021 -6.562 5.753 139 H SER 18 H SER 18 2.276 -6.636 5.273 140 HA SER 18 HA SER 18 3.989 -8.088 5.678 141 HB2 SER 18 2HB SER 18 2.999 -9.089 3.352 142 HB3 SER 18 1HB SER 18 4.638 -8.670 2.855 143 HG SER 18 HG SER 18 3.883 -10.796 4.182 144 H SER 19 H SER 19 6.396 -8.504 4.569 145 HA SER 19 HA SER 19 7.760 -6.095 5.044 146 HB2 SER 19 2HB SER 19 9.772 -7.309 4.316 147 HB3 SER 19 1HB SER 19 8.792 -8.293 5.403 148 HG SER 19 HG SER 19 9.657 -9.114 3.188 149 H ILE 20 H ILE 20 6.639 -7.597 2.092 150 HA ILE 20 HA ILE 20 7.256 -5.135 0.662 151 HB ILE 20 HB ILE 20 7.865 -7.531 -0.935 152 HG12 ILE 20 2HG1 ILE 20 9.813 -6.624 1.200 153 HG13 ILE 20 1HG1 ILE 20 8.902 -8.131 1.250 154 HG21 ILE 20 1HG2 ILE 20 9.939 -5.786 -1.191 155 HG22 ILE 20 2HG2 ILE 20 8.618 -4.711 -0.733 156 HG23 ILE 20 3HG2 ILE 20 8.459 -5.747 -2.152 157 HD11 ILE 20 3HD1 ILE 20 10.524 -7.641 -1.167 158 HD12 ILE 20 1HD1 ILE 20 10.220 -9.135 -0.283 159 HD13 ILE 20 2HD1 ILE 20 11.393 -7.971 0.331 160 H CYS 21 H CYS 21 6.543 -5.799 -1.846 161 HA CYS 21 HA CYS 21 3.773 -6.729 -1.552 162 HB2 CYS 21 2HB CYS 21 4.809 -4.754 -3.586 163 HB3 CYS 21 1HB CYS 21 3.130 -5.191 -3.296 164 H ALA 22 H ALA 22 6.589 -6.657 -3.641 165 HA ALA 22 HA ALA 22 6.309 -9.274 -4.565 166 HB1 ALA 22 1HB ALA 22 5.112 -9.219 -6.476 167 HB2 ALA 22 2HB ALA 22 5.666 -7.600 -6.903 168 HB3 ALA 22 3HB ALA 22 4.367 -7.805 -5.729 169 H GLY 23 H GLY 23 7.388 -9.129 -7.116 170 HA2 GLY 23 2HA GLY 23 10.101 -8.686 -6.594 171 HA3 GLY 23 1HA GLY 23 9.398 -8.876 -8.193 172 H THR 24 H THR 24 11.183 -6.860 -6.336 173 HA THR 24 HA THR 24 10.895 -4.684 -8.181 174 HB THR 24 HB THR 24 10.534 -3.643 -5.461 175 HG1 THR 24 1HG THR 24 9.084 -5.218 -5.125 176 HG21 THR 24 3HG2 THR 24 8.955 -3.147 -7.970 177 HG22 THR 24 1HG2 THR 24 10.402 -2.257 -7.499 178 HG23 THR 24 2HG2 THR 24 8.952 -2.177 -6.498 179 H ILE 25 H ILE 25 12.072 -2.682 -6.537 180 HA ILE 25 HA ILE 25 14.772 -3.198 -6.850 181 HB ILE 25 HB ILE 25 13.584 -1.305 -4.818 182 HG12 ILE 25 2HG1 ILE 25 14.211 -0.884 -7.750 183 HG13 ILE 25 1HG1 ILE 25 12.609 -0.897 -7.019 184 HG21 ILE 25 1HG2 ILE 25 16.208 -1.099 -6.279 185 HG22 ILE 25 2HG2 ILE 25 16.041 -1.805 -4.672 186 HG23 ILE 25 3HG2 ILE 25 15.635 -0.109 -4.937 187 HD11 ILE 25 3HD1 ILE 25 14.392 1.031 -5.781 188 HD12 ILE 25 1HD1 ILE 25 12.761 1.236 -6.420 189 HD13 ILE 25 2HD1 ILE 25 14.149 1.317 -7.504 190 H ILE 26 H ILE 26 13.123 -2.972 -3.685 191 HA ILE 26 HA ILE 26 14.605 -5.281 -2.738 192 HB ILE 26 HB ILE 26 15.111 -3.747 -0.597 193 HG12 ILE 26 2HG1 ILE 26 15.960 -1.809 -2.675 194 HG13 ILE 26 1HG1 ILE 26 14.248 -1.801 -2.265 195 HG21 ILE 26 1HG2 ILE 26 16.751 -4.267 -3.049 196 HG22 ILE 26 2HG2 ILE 26 16.820 -5.058 -1.474 197 HG23 ILE 26 3HG2 ILE 26 17.427 -3.412 -1.661 198 HD11 ILE 26 3HD1 ILE 26 14.877 -0.360 -0.680 199 HD12 ILE 26 1HD1 ILE 26 16.561 -0.882 -0.729 200 HD13 ILE 26 2HD1 ILE 26 15.377 -1.805 0.197 201 H THR 27 H THR 27 13.131 -2.681 -0.831 202 HA THR 27 HA THR 27 11.032 -4.587 -0.032 203 HB THR 27 HB THR 27 12.164 -2.378 1.685 204 HG1 THR 27 1HG THR 27 13.756 -3.952 1.265 205 HG21 THR 27 3HG2 THR 27 9.933 -3.165 2.331 206 HG22 THR 27 1HG2 THR 27 11.165 -3.559 3.530 207 HG23 THR 27 2HG2 THR 27 10.562 -4.808 2.440 208 H ALA 28 H ALA 28 11.740 -1.421 -1.207 209 HA ALA 28 HA ALA 28 9.549 0.068 -0.461 210 HB1 ALA 28 1HB ALA 28 9.982 1.468 -2.311 211 HB2 ALA 28 2HB ALA 28 10.699 0.150 -3.238 212 HB3 ALA 28 3HB ALA 28 11.543 0.801 -1.833 213 H CYS 29 H CYS 29 9.772 -2.366 -3.000 214 HA CYS 29 HA CYS 29 8.226 -3.453 -4.229 215 HB2 CYS 29 2HB CYS 29 6.444 -4.245 -3.078 216 HB3 CYS 29 1HB CYS 29 7.266 -3.499 -1.721 217 H LYS 30 H LYS 30 6.925 -3.098 -5.968 218 HA LYS 30 HA LYS 30 6.832 -0.638 -7.153 219 HB2 LYS 30 2HB LYS 30 6.384 -2.829 -8.262 220 HB3 LYS 30 1HB LYS 30 4.771 -2.802 -7.566 221 HG2 LYS 30 2HG LYS 30 4.380 -0.644 -8.766 222 HG3 LYS 30 1HG LYS 30 5.926 -0.894 -9.583 223 HD2 LYS 30 2HD LYS 30 4.673 -1.943 -11.130 224 HD3 LYS 30 1HD LYS 30 4.725 -3.292 -9.995 225 HE2 LYS 30 2HE LYS 30 2.628 -2.275 -8.956 226 HE3 LYS 30 1HE LYS 30 2.536 -1.274 -10.405 227 HZ1 LYS 30 3HZ LYS 30 2.796 -3.624 -11.542 228 HZ2 LYS 30 1HZ LYS 30 1.284 -3.024 -11.075 229 HZ3 LYS 30 2HZ LYS 30 2.089 -4.144 -10.096 230 H ASN 31 H ASN 31 4.545 -1.977 -4.881 231 HA ASN 31 HA ASN 31 2.562 0.062 -5.306 232 HB2 ASN 31 2HB ASN 31 2.738 -1.682 -2.861 233 HB3 ASN 31 1HB ASN 31 1.306 -0.990 -3.614 234 HD21 ASN 31 1HD2 ASN 31 0.143 -2.291 -4.827 235 HD22 ASN 31 2HD2 ASN 31 0.683 -3.766 -5.547 236 H CYS 32 H CYS 32 1.805 1.430 -3.490 237 HA CYS 32 HA CYS 32 3.595 3.347 -2.758 238 HB2 CYS 32 2HB CYS 32 0.904 2.726 -2.196 239 HB3 CYS 32 1HB CYS 32 1.666 3.080 -0.651 240 H ALA 33 H ALA 33 2.568 0.617 -0.710 241 HA ALA 33 HA ALA 33 5.079 0.104 0.377 242 HB1 ALA 33 1HB ALA 33 5.400 1.568 2.014 243 HB2 ALA 33 2HB ALA 33 3.818 1.204 2.705 244 HB3 ALA 33 3HB ALA 33 3.974 2.447 1.462 Start of MODEL 12 1 H1 ALA 1 1HT ALA 1 -21.499 8.395 2.448 2 H2 ALA 1 2HT ALA 1 -21.601 9.237 3.940 3 H3 ALA 1 3HT ALA 1 -20.291 9.533 2.873 4 HA ALA 1 HA ALA 1 -23.082 10.349 2.688 5 HB1 ALA 1 2HB ALA 1 -21.620 12.383 1.754 6 HB2 ALA 1 3HB ALA 1 -20.408 11.607 2.773 7 HB3 ALA 1 1HB ALA 1 -21.938 12.138 3.471 8 H ASP 2 H ASP 2 -20.230 10.668 0.584 9 HA ASP 2 HA ASP 2 -21.968 10.042 -1.707 10 HB2 ASP 2 2HB ASP 2 -20.967 12.316 -1.688 11 HB3 ASP 2 1HB ASP 2 -19.365 11.584 -1.694 12 H ARG 3 H ARG 3 -21.433 8.439 -3.105 13 HA ARG 3 HA ARG 3 -19.744 6.369 -2.266 14 HB2 ARG 3 2HB ARG 3 -21.225 7.012 -4.765 15 HB3 ARG 3 1HB ARG 3 -19.969 5.786 -4.861 16 HG2 ARG 3 2HG ARG 3 -21.072 4.534 -3.062 17 HG3 ARG 3 1HG ARG 3 -22.348 5.752 -3.017 18 HD2 ARG 3 2HD ARG 3 -21.637 3.986 -5.356 19 HD3 ARG 3 1HD ARG 3 -23.056 3.828 -4.320 20 HE ARG 3 HE ARG 3 -23.284 6.341 -5.275 21 HH11 ARG 3 1HH1 ARG 3 -22.771 3.255 -6.823 22 HH12 ARG 3 2HH1 ARG 3 -23.585 3.711 -8.282 23 HH21 ARG 3 1HH2 ARG 3 -24.353 6.942 -7.195 24 HH22 ARG 3 2HH2 ARG 3 -24.482 5.804 -8.494 25 H GLY 4 H GLY 4 -17.604 6.527 -2.071 26 HA2 GLY 4 2HA GLY 4 -15.878 6.782 -4.240 27 HA3 GLY 4 1HA GLY 4 -16.005 8.372 -3.506 28 H TRP 5 H TRP 5 -13.883 6.127 -3.695 29 HA TRP 5 HA TRP 5 -12.856 6.567 -1.019 30 HB2 TRP 5 2HB TRP 5 -14.280 4.291 -1.350 31 HB3 TRP 5 1HB TRP 5 -12.689 3.731 -1.849 32 HD1 TRP 5 HD TRP 5 -10.797 3.571 0.018 33 HE1 TRP 5 1HE TRP 5 -10.897 3.581 2.589 34 HE3 TRP 5 3HE TRP 5 -15.565 5.311 0.640 35 HZ2 TRP 5 2HZ TRP 5 -12.751 4.238 4.614 36 HZ3 TRP 5 3HZ TRP 5 -16.425 5.601 2.927 37 HH2 TRP 5 HH TRP 5 -15.047 5.074 4.872 38 H ILE 6 H ILE 6 -10.600 5.594 -0.822 39 HA ILE 6 HA ILE 6 -9.241 5.605 -3.434 40 HB ILE 6 HB ILE 6 -8.919 7.783 -2.346 41 HG12 ILE 6 2HG1 ILE 6 -6.284 6.383 -2.081 42 HG13 ILE 6 1HG1 ILE 6 -7.081 6.429 -3.650 43 HG21 ILE 6 1HG2 ILE 6 -8.327 8.079 -0.197 44 HG22 ILE 6 2HG2 ILE 6 -7.200 6.723 -0.211 45 HG23 ILE 6 3HG2 ILE 6 -8.927 6.432 -0.001 46 HD11 ILE 6 3HD1 ILE 6 -5.521 8.433 -2.365 47 HD12 ILE 6 1HD1 ILE 6 -7.153 9.048 -2.630 48 HD13 ILE 6 2HD1 ILE 6 -6.211 8.428 -3.987 49 H LYS 7 H LYS 7 -7.892 3.959 -3.759 50 HA LYS 7 HA LYS 7 -6.897 2.468 -1.423 51 HB2 LYS 7 2HB LYS 7 -8.337 1.479 -3.835 52 HB3 LYS 7 1HB LYS 7 -7.037 0.482 -3.198 53 HG2 LYS 7 2HG LYS 7 -8.662 1.306 -1.022 54 HG3 LYS 7 1HG LYS 7 -9.713 0.688 -2.298 55 HD2 LYS 7 2HD LYS 7 -8.897 -1.429 -2.132 56 HD3 LYS 7 1HD LYS 7 -7.280 -0.884 -1.681 57 HE2 LYS 7 2HE LYS 7 -8.047 -0.372 0.562 58 HE3 LYS 7 1HE LYS 7 -9.697 -0.810 0.124 59 HZ1 LYS 7 3HZ LYS 7 -8.734 -3.074 -0.424 60 HZ2 LYS 7 1HZ LYS 7 -8.839 -2.669 1.215 61 HZ3 LYS 7 2HZ LYS 7 -7.350 -2.584 0.417 62 H DBB 8 H DBB 8 -4.785 1.846 -1.489 63 HA DBB 8 HA DBB 8 -3.296 1.867 -3.952 64 HB3 DBB 8 HB DBB 8 -2.753 0.181 -2.307 65 HG1 DBB 8 3HG2 DBB 8 -0.368 0.506 -1.967 66 HG2 DBB 8 1HG2 DBB 8 -0.531 2.222 -2.342 67 HG3 DBB 8 2HG2 DBB 8 -0.827 1.015 -3.591 68 H LEU 9 H LEU 9 -3.347 3.815 -0.980 69 HA LEU 9 HA LEU 9 -2.292 6.062 -2.507 70 HB2 LEU 9 2HB LEU 9 -3.018 7.442 -0.660 71 HB3 LEU 9 1HB LEU 9 -4.317 6.388 -1.183 72 HG LEU 9 HG LEU 9 -2.708 5.273 0.999 73 HD11 LEU 9 1HD1 LEU 9 -2.551 7.539 1.740 74 HD12 LEU 9 2HD1 LEU 9 -3.790 6.737 2.707 75 HD13 LEU 9 3HD1 LEU 9 -4.259 7.825 1.400 76 HD21 LEU 9 3HD2 LEU 9 -4.668 4.119 0.495 77 HD22 LEU 9 1HD2 LEU 9 -5.611 5.599 0.319 78 HD23 LEU 9 2HD2 LEU 9 -5.107 5.062 1.921 79 H DBB 10 H DBB 10 -0.967 3.666 -0.596 80 HA DBB 10 HA DBB 10 1.136 5.466 0.393 81 HB3 DBB 10 HB DBB 10 2.877 4.193 -0.499 82 HG1 DBB 10 3HG2 DBB 10 2.621 1.989 -1.552 83 HG2 DBB 10 1HG2 DBB 10 0.922 1.969 -1.080 84 HG3 DBB 10 2HG2 DBB 10 2.180 1.943 0.154 85 H LYS 11 H LYS 11 1.296 5.326 2.495 86 HA LYS 11 HA LYS 11 1.918 3.063 3.947 87 HB2 LYS 11 2HB LYS 11 0.518 5.539 4.964 88 HB3 LYS 11 1HB LYS 11 1.394 4.374 5.948 89 HG2 LYS 11 2HG LYS 11 3.393 5.236 5.419 90 HG3 LYS 11 1HG LYS 11 2.943 5.515 3.735 91 HD2 LYS 11 2HD LYS 11 1.642 7.219 5.782 92 HD3 LYS 11 1HD LYS 11 3.357 7.503 5.471 93 HE2 LYS 11 2HE LYS 11 1.655 7.204 3.083 94 HE3 LYS 11 1HE LYS 11 1.355 8.644 4.058 95 HZ1 LYS 11 3HZ LYS 11 4.138 8.020 3.457 96 HZ2 LYS 11 1HZ LYS 11 3.358 9.519 3.544 97 HZ3 LYS 11 2HZ LYS 11 3.189 8.556 2.164 98 H ASP 12 H ASP 12 -1.187 4.064 2.831 99 HA ASP 12 HA ASP 12 -2.612 2.430 4.766 100 HB2 ASP 12 2HB ASP 12 -3.330 4.477 2.769 101 HB3 ASP 12 1HB ASP 12 -4.510 3.186 2.969 102 H CYS 13 H CYS 13 -0.740 1.195 2.812 103 HA CYS 13 HA CYS 13 -2.613 -0.790 1.769 104 HB2 CYS 13 2HB CYS 13 -0.336 0.232 0.079 105 HB3 CYS 13 1HB CYS 13 -1.661 -0.822 -0.409 106 HA PRO 14 HA PRO 14 0.556 -3.098 4.042 107 HB2 PRO 14 2HB PRO 14 -1.237 -5.348 3.363 108 HB3 PRO 14 1HB PRO 14 -0.640 -4.822 4.939 109 HG2 PRO 14 2HG PRO 14 -3.182 -4.421 4.220 110 HG3 PRO 14 1HG PRO 14 -2.295 -3.221 5.180 111 HD2 PRO 14 2HD PRO 14 -2.933 -3.212 2.255 112 HD3 PRO 14 1HD PRO 14 -2.970 -1.873 3.421 113 H ASN 15 H ASN 15 -0.511 -3.404 0.799 114 HA ASN 15 HA ASN 15 1.268 -5.578 0.144 115 HB2 ASN 15 2HB ASN 15 -1.062 -4.819 -0.935 116 HB3 ASN 15 1HB ASN 15 0.018 -3.899 -1.978 117 HD21 ASN 15 1HD2 ASN 15 -1.453 -5.704 -3.196 118 HD22 ASN 15 2HD2 ASN 15 -0.535 -7.102 -3.631 119 H VAL 16 H VAL 16 1.845 -4.189 -2.504 120 HA VAL 16 HA VAL 16 3.670 -3.186 -3.432 121 HB VAL 16 HB VAL 16 3.288 -1.159 -1.225 122 HG11 VAL 16 1HG1 VAL 16 4.006 0.247 -3.404 123 HG12 VAL 16 2HG1 VAL 16 4.873 -1.257 -3.709 124 HG13 VAL 16 3HG1 VAL 16 5.155 -0.365 -2.214 125 HG21 VAL 16 3HG2 VAL 16 2.088 -0.643 -3.855 126 HG22 VAL 16 1HG2 VAL 16 1.459 -0.329 -2.238 127 HG23 VAL 16 2HG2 VAL 16 1.330 -1.943 -2.936 128 H ILE 17 H ILE 17 4.937 -5.055 -2.578 129 HA ILE 17 HA ILE 17 7.016 -4.103 -0.733 130 HB ILE 17 HB ILE 17 7.240 -6.604 -0.124 131 HG12 ILE 17 2HG1 ILE 17 4.308 -6.794 -0.497 132 HG13 ILE 17 1HG1 ILE 17 5.288 -6.967 -1.949 133 HG21 ILE 17 1HG2 ILE 17 4.855 -5.092 0.919 134 HG22 ILE 17 2HG2 ILE 17 6.525 -4.761 1.379 135 HG23 ILE 17 3HG2 ILE 17 5.796 -6.318 1.768 136 HD11 ILE 17 3HD1 ILE 17 6.497 -8.570 0.010 137 HD12 ILE 17 1HD1 ILE 17 5.600 -9.091 -1.416 138 HD13 ILE 17 2HD1 ILE 17 4.762 -8.865 0.120 139 H SER 18 H SER 18 9.008 -4.225 -1.518 140 HA SER 18 HA SER 18 10.786 -4.713 -2.850 141 HB2 SER 18 2HB SER 18 10.206 -7.057 -2.047 142 HB3 SER 18 1HB SER 18 9.373 -7.279 -3.586 143 HG SER 18 HG SER 18 12.071 -6.444 -3.426 144 H SER 19 H SER 19 8.263 -3.458 -3.914 145 HA SER 19 HA SER 19 8.935 -3.751 -6.755 146 HB2 SER 19 2HB SER 19 6.231 -3.154 -6.761 147 HB3 SER 19 1HB SER 19 6.946 -4.730 -7.094 148 HG SER 19 HG SER 19 5.535 -3.865 -4.905 149 H ILE 20 H ILE 20 9.509 -1.774 -4.578 150 HA ILE 20 HA ILE 20 9.744 0.457 -4.338 151 HB ILE 20 HB ILE 20 9.979 0.021 -7.034 152 HG12 ILE 20 2HG1 ILE 20 10.323 2.510 -5.376 153 HG13 ILE 20 1HG1 ILE 20 11.540 1.311 -5.792 154 HG21 ILE 20 1HG2 ILE 20 8.748 1.523 -8.302 155 HG22 ILE 20 2HG2 ILE 20 8.247 2.456 -6.895 156 HG23 ILE 20 3HG2 ILE 20 7.547 0.867 -7.194 157 HD11 ILE 20 3HD1 ILE 20 10.715 3.681 -7.224 158 HD12 ILE 20 1HD1 ILE 20 10.659 2.242 -8.243 159 HD13 ILE 20 2HD1 ILE 20 12.156 2.681 -7.420 160 H CYS 21 H CYS 21 8.564 1.943 -3.355 161 HA CYS 21 HA CYS 21 5.719 1.601 -3.244 162 HB2 CYS 21 2HB CYS 21 6.782 2.058 -1.184 163 HB3 CYS 21 1HB CYS 21 7.654 3.429 -1.844 164 H ALA 22 H ALA 22 7.668 3.219 -5.364 165 HA ALA 22 HA ALA 22 7.161 4.585 -7.119 166 HB1 ALA 22 1HB ALA 22 4.407 5.075 -6.060 167 HB2 ALA 22 2HB ALA 22 4.825 3.527 -6.792 168 HB3 ALA 22 3HB ALA 22 4.968 5.013 -7.730 169 H GLY 23 H GLY 23 8.550 6.207 -6.572 170 HA2 GLY 23 2HA GLY 23 7.742 8.761 -6.254 171 HA3 GLY 23 1HA GLY 23 7.821 8.188 -4.595 172 H THR 24 H THR 24 9.754 8.417 -7.566 173 HA THR 24 HA THR 24 11.966 8.818 -7.914 174 HB THR 24 HB THR 24 12.222 9.870 -5.118 175 HG1 THR 24 1HG THR 24 10.588 11.119 -5.480 176 HG21 THR 24 3HG2 THR 24 14.178 10.014 -6.553 177 HG22 THR 24 1HG2 THR 24 13.537 11.614 -6.182 178 HG23 THR 24 2HG2 THR 24 13.235 10.888 -7.760 179 H ILE 25 H ILE 25 14.138 8.125 -7.331 180 HA ILE 25 HA ILE 25 14.055 5.667 -5.733 181 HB ILE 25 HB ILE 25 16.301 6.494 -7.558 182 HG12 ILE 25 2HG1 ILE 25 14.207 6.504 -8.856 183 HG13 ILE 25 1HG1 ILE 25 15.252 5.168 -9.331 184 HG21 ILE 25 1HG2 ILE 25 17.102 4.383 -7.307 185 HG22 ILE 25 2HG2 ILE 25 15.499 3.679 -7.096 186 HG23 ILE 25 3HG2 ILE 25 16.269 4.535 -5.760 187 HD11 ILE 25 3HD1 ILE 25 13.760 3.629 -8.704 188 HD12 ILE 25 1HD1 ILE 25 12.606 4.960 -8.777 189 HD13 ILE 25 2HD1 ILE 25 13.327 4.502 -7.234 190 H ILE 26 H ILE 26 14.171 8.168 -4.388 191 HA ILE 26 HA ILE 26 16.899 8.645 -3.589 192 HB ILE 26 HB ILE 26 15.254 10.481 -3.651 193 HG12 ILE 26 2HG1 ILE 26 16.048 10.124 -0.778 194 HG13 ILE 26 1HG1 ILE 26 17.279 10.307 -2.022 195 HG21 ILE 26 1HG2 ILE 26 13.488 10.662 -2.035 196 HG22 ILE 26 2HG2 ILE 26 13.986 9.159 -1.259 197 HG23 ILE 26 3HG2 ILE 26 13.316 9.129 -2.890 198 HD11 ILE 26 3HD1 ILE 26 15.276 12.329 -2.328 199 HD12 ILE 26 1HD1 ILE 26 17.006 12.499 -2.028 200 HD13 ILE 26 2HD1 ILE 26 15.891 12.321 -0.674 201 H THR 27 H THR 27 14.011 7.197 -2.118 202 HA THR 27 HA THR 27 15.710 5.583 -0.407 203 HB THR 27 HB THR 27 13.619 7.451 0.731 204 HG1 THR 27 1HG THR 27 16.439 7.364 0.903 205 HG21 THR 27 3HG2 THR 27 15.347 5.451 2.167 206 HG22 THR 27 1HG2 THR 27 13.603 5.338 1.939 207 HG23 THR 27 2HG2 THR 27 14.282 6.637 2.920 208 H ALA 28 H ALA 28 12.261 6.425 -0.195 209 HA ALA 28 HA ALA 28 11.635 3.636 -0.912 210 HB1 ALA 28 1HB ALA 28 10.712 5.309 1.340 211 HB2 ALA 28 2HB ALA 28 10.952 3.564 1.243 212 HB3 ALA 28 3HB ALA 28 9.499 4.292 0.561 213 H CYS 29 H CYS 29 9.778 6.634 -0.467 214 HA CYS 29 HA CYS 29 9.161 6.955 -3.205 215 HB2 CYS 29 2HB CYS 29 6.868 6.251 -3.235 216 HB3 CYS 29 1HB CYS 29 7.837 4.909 -2.670 217 H LYS 30 H LYS 30 8.986 9.095 -3.347 218 HA LYS 30 HA LYS 30 8.534 10.788 -1.148 219 HB2 LYS 30 2HB LYS 30 8.993 11.084 -4.016 220 HB3 LYS 30 1HB LYS 30 7.926 12.323 -3.369 221 HG2 LYS 30 2HG LYS 30 9.560 13.099 -1.869 222 HG3 LYS 30 1HG LYS 30 10.565 11.668 -2.101 223 HD2 LYS 30 2HD LYS 30 11.434 12.428 -4.061 224 HD3 LYS 30 1HD LYS 30 9.961 13.294 -4.503 225 HE2 LYS 30 2HE LYS 30 10.482 15.097 -3.046 226 HE3 LYS 30 1HE LYS 30 11.784 14.187 -2.279 227 HZ1 LYS 30 3HZ LYS 30 12.807 15.683 -3.751 228 HZ2 LYS 30 1HZ LYS 30 11.728 15.338 -5.008 229 HZ3 LYS 30 2HZ LYS 30 12.873 14.185 -4.536 230 H ASN 31 H ASN 31 6.377 9.263 -3.396 231 HA ASN 31 HA ASN 31 4.098 9.894 -1.827 232 HB2 ASN 31 2HB ASN 31 2.876 11.152 -3.644 233 HB3 ASN 31 1HB ASN 31 4.165 12.053 -2.850 234 HD21 ASN 31 1HD2 ASN 31 3.548 13.156 -5.056 235 HD22 ASN 31 2HD2 ASN 31 4.618 12.771 -6.357 236 H CYS 32 H CYS 32 2.902 8.122 -1.964 237 HA CYS 32 HA CYS 32 3.303 6.044 -3.755 238 HB2 CYS 32 2HB CYS 32 1.829 6.344 -1.501 239 HB3 CYS 32 1HB CYS 32 0.551 6.327 -2.710 240 H ALA 33 H ALA 33 0.798 8.568 -3.831 241 HA ALA 33 HA ALA 33 0.390 7.942 -6.681 242 HB1 ALA 33 1HB ALA 33 -1.849 9.201 -5.237 243 HB2 ALA 33 2HB ALA 33 -1.494 7.529 -4.804 244 HB3 ALA 33 3HB ALA 33 -1.857 7.948 -6.478 Start of MODEL 13 1 H1 ALA 1 1HT ALA 1 -22.005 3.542 -10.338 2 H2 ALA 1 2HT ALA 1 -20.929 3.501 -11.675 3 H3 ALA 1 3HT ALA 1 -20.583 4.497 -10.319 4 HA ALA 1 HA ALA 1 -20.627 2.373 -8.997 5 HB1 ALA 1 2HB ALA 1 -21.527 0.831 -10.507 6 HB2 ALA 1 3HB ALA 1 -19.806 0.451 -10.469 7 HB3 ALA 1 1HB ALA 1 -20.477 1.365 -11.819 8 H ASP 2 H ASP 2 -18.888 3.746 -11.720 9 HA ASP 2 HA ASP 2 -16.325 3.132 -10.442 10 HB2 ASP 2 2HB ASP 2 -16.955 4.247 -13.184 11 HB3 ASP 2 1HB ASP 2 -15.331 3.933 -12.576 12 H ARG 3 H ARG 3 -16.713 4.664 -8.713 13 HA ARG 3 HA ARG 3 -16.598 7.483 -9.496 14 HB2 ARG 3 2HB ARG 3 -17.901 6.096 -7.406 15 HB3 ARG 3 1HB ARG 3 -16.674 7.102 -6.649 16 HG2 ARG 3 2HG ARG 3 -17.675 8.942 -8.240 17 HG3 ARG 3 1HG ARG 3 -19.088 7.887 -8.195 18 HD2 ARG 3 2HD ARG 3 -19.607 8.524 -6.122 19 HD3 ARG 3 1HD ARG 3 -17.953 8.294 -5.558 20 HE ARG 3 HE ARG 3 -17.604 10.542 -5.782 21 HH11 ARG 3 1HH1 ARG 3 -20.479 9.674 -7.560 22 HH12 ARG 3 2HH1 ARG 3 -20.910 11.314 -7.909 23 HH21 ARG 3 1HH2 ARG 3 -18.170 12.700 -6.238 24 HH22 ARG 3 2HH2 ARG 3 -19.599 13.033 -7.158 25 H GLY 4 H GLY 4 -14.746 4.969 -7.936 26 HA2 GLY 4 2HA GLY 4 -12.274 5.399 -8.286 27 HA3 GLY 4 1HA GLY 4 -12.581 6.917 -7.455 28 H TRP 5 H TRP 5 -12.492 3.420 -7.096 29 HA TRP 5 HA TRP 5 -13.001 3.354 -4.314 30 HB2 TRP 5 2HB TRP 5 -11.897 1.070 -4.466 31 HB3 TRP 5 1HB TRP 5 -13.286 1.326 -5.515 32 HD1 TRP 5 HD TRP 5 -9.435 1.765 -5.891 33 HE1 TRP 5 1HE TRP 5 -8.768 0.866 -8.208 34 HE3 TRP 5 3HE TRP 5 -14.059 0.398 -7.592 35 HZ2 TRP 5 2HZ TRP 5 -10.034 -0.272 -10.460 36 HZ3 TRP 5 3HZ TRP 5 -14.244 -0.588 -9.839 37 HH2 TRP 5 HH TRP 5 -12.272 -0.915 -11.242 38 H ILE 6 H ILE 6 -10.170 4.057 -6.182 39 HA ILE 6 HA ILE 6 -8.101 4.800 -5.592 40 HB ILE 6 HB ILE 6 -9.121 4.875 -2.751 41 HG12 ILE 6 2HG1 ILE 6 -10.611 6.174 -4.160 42 HG13 ILE 6 1HG1 ILE 6 -9.609 7.265 -3.210 43 HG21 ILE 6 1HG2 ILE 6 -6.822 5.136 -2.624 44 HG22 ILE 6 2HG2 ILE 6 -7.394 6.802 -2.717 45 HG23 ILE 6 3HG2 ILE 6 -6.734 6.013 -4.151 46 HD11 ILE 6 3HD1 ILE 6 -9.793 8.107 -5.440 47 HD12 ILE 6 1HD1 ILE 6 -9.270 6.563 -6.114 48 HD13 ILE 6 2HD1 ILE 6 -8.141 7.547 -5.182 49 H LYS 7 H LYS 7 -6.403 3.504 -5.635 50 HA LYS 7 HA LYS 7 -6.147 1.409 -3.595 51 HB2 LYS 7 2HB LYS 7 -5.378 -0.193 -5.280 52 HB3 LYS 7 1HB LYS 7 -7.022 0.334 -5.612 53 HG2 LYS 7 2HG LYS 7 -6.229 1.829 -7.343 54 HG3 LYS 7 1HG LYS 7 -4.557 1.397 -6.976 55 HD2 LYS 7 2HD LYS 7 -6.348 -0.868 -7.545 56 HD3 LYS 7 1HD LYS 7 -6.050 0.218 -8.904 57 HE2 LYS 7 2HE LYS 7 -3.717 -0.140 -8.804 58 HE3 LYS 7 1HE LYS 7 -3.826 -0.902 -7.218 59 HZ1 LYS 7 3HZ LYS 7 -4.348 -2.022 -9.856 60 HZ2 LYS 7 1HZ LYS 7 -5.359 -2.541 -8.603 61 HZ3 LYS 7 2HZ LYS 7 -3.685 -2.752 -8.483 62 H DBB 8 H DBB 8 -4.149 1.218 -2.751 63 HA DBB 8 HA DBB 8 -1.768 1.897 -4.130 64 HB3 DBB 8 HB DBB 8 -1.775 0.233 -2.372 65 HG1 DBB 8 3HG2 DBB 8 0.265 1.754 -2.751 66 HG2 DBB 8 1HG2 DBB 8 0.191 0.786 -1.283 67 HG3 DBB 8 2HG2 DBB 8 -0.195 2.503 -1.222 68 H LEU 9 H LEU 9 -3.686 3.557 -1.652 69 HA LEU 9 HA LEU 9 -3.013 6.110 -2.627 70 HB2 LEU 9 2HB LEU 9 -4.381 6.981 -0.965 71 HB3 LEU 9 1HB LEU 9 -5.065 5.400 -1.287 72 HG LEU 9 HG LEU 9 -3.194 5.945 1.016 73 HD11 LEU 9 1HD1 LEU 9 -5.448 7.227 0.960 74 HD12 LEU 9 2HD1 LEU 9 -4.980 6.359 2.421 75 HD13 LEU 9 3HD1 LEU 9 -6.153 5.650 1.312 76 HD21 LEU 9 3HD2 LEU 9 -4.724 3.608 0.023 77 HD22 LEU 9 1HD2 LEU 9 -4.658 3.849 1.768 78 HD23 LEU 9 2HD2 LEU 9 -3.165 3.679 0.845 79 H DBB 10 H DBB 10 -1.477 4.082 -0.255 80 HA DBB 10 HA DBB 10 -0.089 6.062 1.174 81 HB3 DBB 10 HB DBB 10 0.976 6.678 -0.865 82 HG1 DBB 10 3HG2 DBB 10 3.356 6.033 -0.528 83 HG2 DBB 10 1HG2 DBB 10 2.833 4.918 0.733 84 HG3 DBB 10 2HG2 DBB 10 2.571 6.651 0.924 85 H LYS 11 H LYS 11 1.358 5.232 2.692 86 HA LYS 11 HA LYS 11 2.184 2.504 2.697 87 HB2 LYS 11 2HB LYS 11 2.130 4.368 5.068 88 HB3 LYS 11 1HB LYS 11 3.170 2.971 4.821 89 HG2 LYS 11 2HG LYS 11 3.823 4.462 2.665 90 HG3 LYS 11 1HG LYS 11 3.431 5.724 3.833 91 HD2 LYS 11 2HD LYS 11 5.250 5.297 5.086 92 HD3 LYS 11 1HD LYS 11 5.087 3.549 4.900 93 HE2 LYS 11 2HE LYS 11 6.452 3.481 3.100 94 HE3 LYS 11 1HE LYS 11 5.884 5.031 2.479 95 HZ1 LYS 11 3HZ LYS 11 7.939 5.658 3.126 96 HZ2 LYS 11 1HZ LYS 11 8.079 4.451 4.304 97 HZ3 LYS 11 2HZ LYS 11 7.186 5.849 4.628 98 H ASP 12 H ASP 12 -0.781 3.911 3.361 99 HA ASP 12 HA ASP 12 -1.534 2.040 5.454 100 HB2 ASP 12 2HB ASP 12 -2.343 4.600 4.863 101 HB3 ASP 12 1HB ASP 12 -3.673 3.634 4.232 102 H CYS 13 H CYS 13 -0.820 1.102 2.730 103 HA CYS 13 HA CYS 13 -3.377 -0.000 1.815 104 HB2 CYS 13 2HB CYS 13 -0.680 0.322 0.526 105 HB3 CYS 13 1HB CYS 13 -1.868 -0.799 -0.130 106 HA PRO 14 HA PRO 14 -1.821 -3.679 3.984 107 HB2 PRO 14 2HB PRO 14 -4.547 -4.654 3.922 108 HB3 PRO 14 1HB PRO 14 -3.595 -4.132 5.311 109 HG2 PRO 14 2HG PRO 14 -5.767 -2.772 4.360 110 HG3 PRO 14 1HG PRO 14 -4.434 -2.008 5.244 111 HD2 PRO 14 2HD PRO 14 -4.956 -2.092 2.297 112 HD3 PRO 14 1HD PRO 14 -4.368 -0.750 3.301 113 H ASN 15 H ASN 15 -1.225 -3.646 1.366 114 HA ASN 15 HA ASN 15 -1.970 -6.331 0.528 115 HB2 ASN 15 2HB ASN 15 -2.897 -3.892 -0.798 116 HB3 ASN 15 1HB ASN 15 -2.070 -4.999 -1.888 117 HD21 ASN 15 1HD2 ASN 15 -4.995 -4.148 -0.919 118 HD22 ASN 15 2HD2 ASN 15 -5.836 -5.651 -1.046 119 H VAL 16 H VAL 16 0.450 -4.858 1.494 120 HA VAL 16 HA VAL 16 2.282 -5.948 -0.461 121 HB VAL 16 HB VAL 16 2.527 -3.028 0.273 122 HG11 VAL 16 1HG1 VAL 16 4.456 -2.959 -0.961 123 HG12 VAL 16 2HG1 VAL 16 3.992 -4.329 -1.968 124 HG13 VAL 16 3HG1 VAL 16 4.554 -4.600 -0.319 125 HG21 VAL 16 3HG2 VAL 16 1.548 -4.309 -2.275 126 HG22 VAL 16 1HG2 VAL 16 1.996 -2.610 -2.124 127 HG23 VAL 16 2HG2 VAL 16 0.640 -3.250 -1.195 128 H ILE 17 H ILE 17 3.179 -7.300 1.023 129 HA ILE 17 HA ILE 17 4.545 -6.022 3.297 130 HB ILE 17 HB ILE 17 3.600 -8.853 3.474 131 HG12 ILE 17 2HG1 ILE 17 1.687 -7.705 4.895 132 HG13 ILE 17 1HG1 ILE 17 1.982 -6.361 3.795 133 HG21 ILE 17 1HG2 ILE 17 3.685 -7.034 5.795 134 HG22 ILE 17 2HG2 ILE 17 5.233 -7.437 5.054 135 HG23 ILE 17 3HG2 ILE 17 4.182 -8.719 5.653 136 HD11 ILE 17 3HD1 ILE 17 1.215 -7.521 1.964 137 HD12 ILE 17 1HD1 ILE 17 0.163 -8.129 3.243 138 HD13 ILE 17 2HD1 ILE 17 1.534 -9.094 2.693 139 H SER 18 H SER 18 6.627 -6.339 3.364 140 HA SER 18 HA SER 18 8.169 -8.524 3.112 141 HB2 SER 18 2HB SER 18 7.506 -9.124 0.928 142 HB3 SER 18 1HB SER 18 7.519 -7.453 0.368 143 HG SER 18 HG SER 18 9.444 -9.211 0.146 144 H SER 19 H SER 19 10.501 -7.957 2.197 145 HA SER 19 HA SER 19 11.532 -5.879 3.683 146 HB2 SER 19 2HB SER 19 13.552 -6.052 2.217 147 HB3 SER 19 1HB SER 19 12.977 -7.611 2.808 148 HG SER 19 HG SER 19 13.506 -7.438 0.488 149 H ILE 20 H ILE 20 11.460 -5.789 0.142 150 HA ILE 20 HA ILE 20 11.553 -2.938 0.109 151 HB ILE 20 HB ILE 20 12.425 -4.822 -1.603 152 HG12 ILE 20 2HG1 ILE 20 11.676 -1.957 -2.098 153 HG13 ILE 20 1HG1 ILE 20 13.249 -2.627 -1.700 154 HG21 ILE 20 1HG2 ILE 20 10.141 -3.774 -3.201 155 HG22 ILE 20 2HG2 ILE 20 9.900 -5.188 -2.177 156 HG23 ILE 20 3HG2 ILE 20 11.124 -5.216 -3.446 157 HD11 ILE 20 3HD1 ILE 20 13.385 -3.653 -3.901 158 HD12 ILE 20 1HD1 ILE 20 13.137 -1.911 -4.024 159 HD13 ILE 20 2HD1 ILE 20 11.791 -3.015 -4.303 160 H CYS 21 H CYS 21 9.870 -2.284 -1.983 161 HA CYS 21 HA CYS 21 7.203 -2.877 -0.901 162 HB2 CYS 21 2HB CYS 21 7.583 -0.259 -2.227 163 HB3 CYS 21 1HB CYS 21 6.578 -0.689 -0.851 164 H ALA 22 H ALA 22 9.123 -2.159 -3.733 165 HA ALA 22 HA ALA 22 6.974 -3.282 -5.394 166 HB1 ALA 22 1HB ALA 22 8.418 -0.703 -5.744 167 HB2 ALA 22 2HB ALA 22 6.722 -1.095 -6.024 168 HB3 ALA 22 3HB ALA 22 7.949 -1.614 -7.178 169 H GLY 23 H GLY 23 7.890 -3.773 -7.675 170 HA2 GLY 23 2HA GLY 23 10.120 -5.561 -7.280 171 HA3 GLY 23 1HA GLY 23 9.175 -5.379 -8.750 172 H THR 24 H THR 24 9.509 -2.632 -9.180 173 HA THR 24 HA THR 24 11.940 -2.582 -10.570 174 HB THR 24 HB THR 24 11.497 -0.158 -10.857 175 HG1 THR 24 1HG THR 24 9.262 -0.609 -9.177 176 HG21 THR 24 3HG2 THR 24 10.335 -1.704 -12.333 177 HG22 THR 24 1HG2 THR 24 9.336 -0.300 -11.957 178 HG23 THR 24 2HG2 THR 24 9.024 -1.843 -11.162 179 H ILE 25 H ILE 25 13.711 -0.991 -10.253 180 HA ILE 25 HA ILE 25 14.279 -0.518 -7.403 181 HB ILE 25 HB ILE 25 16.349 -1.414 -9.407 182 HG12 ILE 25 2HG1 ILE 25 14.695 -3.203 -8.944 183 HG13 ILE 25 1HG1 ILE 25 16.295 -3.591 -8.320 184 HG21 ILE 25 1HG2 ILE 25 16.418 -1.028 -6.419 185 HG22 ILE 25 2HG2 ILE 25 17.289 -0.095 -7.637 186 HG23 ILE 25 3HG2 ILE 25 17.705 -1.786 -7.358 187 HD11 ILE 25 3HD1 ILE 25 15.632 -3.171 -6.098 188 HD12 ILE 25 1HD1 ILE 25 14.351 -4.141 -6.825 189 HD13 ILE 25 2HD1 ILE 25 14.131 -2.403 -6.615 190 H ILE 26 H ILE 26 14.861 1.495 -6.942 191 HA ILE 26 HA ILE 26 16.172 3.144 -8.968 192 HB ILE 26 HB ILE 26 13.809 4.206 -7.428 193 HG12 ILE 26 2HG1 ILE 26 12.859 4.152 -9.921 194 HG13 ILE 26 1HG1 ILE 26 13.936 2.764 -10.032 195 HG21 ILE 26 1HG2 ILE 26 15.813 5.568 -8.595 196 HG22 ILE 26 2HG2 ILE 26 14.163 6.178 -8.466 197 HG23 ILE 26 3HG2 ILE 26 14.707 5.417 -9.961 198 HD11 ILE 26 3HD1 ILE 26 11.621 2.168 -9.443 199 HD12 ILE 26 1HD1 ILE 26 11.788 3.098 -7.955 200 HD13 ILE 26 2HD1 ILE 26 12.794 1.674 -8.223 201 H THR 27 H THR 27 14.931 3.008 -5.646 202 HA THR 27 HA THR 27 17.458 3.639 -4.515 203 HB THR 27 HB THR 27 16.919 5.893 -5.252 204 HG1 THR 27 1HG THR 27 17.904 5.665 -3.201 205 HG21 THR 27 3HG2 THR 27 14.462 5.676 -5.332 206 HG22 THR 27 1HG2 THR 27 15.013 7.121 -4.485 207 HG23 THR 27 2HG2 THR 27 14.433 5.731 -3.570 208 H ALA 28 H ALA 28 13.953 3.843 -3.968 209 HA ALA 28 HA ALA 28 14.345 2.399 -1.436 210 HB1 ALA 28 1HB ALA 28 13.242 3.995 -0.353 211 HB2 ALA 28 2HB ALA 28 11.857 3.793 -1.427 212 HB3 ALA 28 3HB ALA 28 13.143 4.925 -1.848 213 H CYS 29 H CYS 29 11.617 3.244 -3.539 214 HA CYS 29 HA CYS 29 11.136 0.793 -4.686 215 HB2 CYS 29 2HB CYS 29 9.183 0.053 -3.227 216 HB3 CYS 29 1HB CYS 29 10.797 -0.256 -2.606 217 H LYS 30 H LYS 30 9.773 1.211 -6.302 218 HA LYS 30 HA LYS 30 8.517 3.663 -6.666 219 HB2 LYS 30 2HB LYS 30 8.972 1.473 -8.231 220 HB3 LYS 30 1HB LYS 30 7.227 1.395 -8.028 221 HG2 LYS 30 2HG LYS 30 7.007 3.660 -8.886 222 HG3 LYS 30 1HG LYS 30 8.761 3.778 -9.050 223 HD2 LYS 30 2HD LYS 30 7.553 1.444 -10.364 224 HD3 LYS 30 1HD LYS 30 7.068 3.004 -11.031 225 HE2 LYS 30 2HE LYS 30 9.949 2.334 -10.518 226 HE3 LYS 30 1HE LYS 30 9.147 1.868 -12.017 227 HZ1 LYS 30 3HZ LYS 30 8.885 4.650 -11.177 228 HZ2 LYS 30 1HZ LYS 30 9.039 3.997 -12.732 229 HZ3 LYS 30 2HZ LYS 30 10.401 4.162 -11.743 230 H ASN 31 H ASN 31 7.444 0.840 -4.974 231 HA ASN 31 HA ASN 31 4.659 1.418 -4.973 232 HB2 ASN 31 2HB ASN 31 6.237 -0.702 -4.148 233 HB3 ASN 31 1HB ASN 31 5.615 -0.049 -2.638 234 HD21 ASN 31 1HD2 ASN 31 4.829 -1.600 -5.630 235 HD22 ASN 31 2HD2 ASN 31 3.197 -2.002 -5.232 236 H CYS 32 H CYS 32 3.559 1.626 -2.737 237 HA CYS 32 HA CYS 32 4.260 4.208 -1.728 238 HB2 CYS 32 2HB CYS 32 2.041 2.304 -1.498 239 HB3 CYS 32 1HB CYS 32 2.314 3.269 -0.052 240 H ALA 33 H ALA 33 4.149 0.935 -0.345 241 HA ALA 33 HA ALA 33 6.392 1.445 1.347 242 HB1 ALA 33 1HB ALA 33 3.774 1.035 2.778 243 HB2 ALA 33 2HB ALA 33 4.526 2.614 2.557 244 HB3 ALA 33 3HB ALA 33 5.355 1.365 3.486 Start of MODEL 14 1 H1 ALA 1 1HT ALA 1 -3.618 0.379 -12.785 2 H2 ALA 1 2HT ALA 1 -3.163 2.004 -13.099 3 H3 ALA 1 3HT ALA 1 -3.385 0.905 -14.400 4 HA ALA 1 HA ALA 1 -5.264 2.170 -14.412 5 HB1 ALA 1 2HB ALA 1 -5.409 -0.489 -14.057 6 HB2 ALA 1 3HB ALA 1 -6.817 0.535 -14.339 7 HB3 ALA 1 1HB ALA 1 -6.392 0.054 -12.696 8 H ASP 2 H ASP 2 -6.537 3.666 -13.467 9 HA ASP 2 HA ASP 2 -6.558 3.801 -10.527 10 HB2 ASP 2 2HB ASP 2 -5.607 5.805 -12.467 11 HB3 ASP 2 1HB ASP 2 -6.699 6.437 -11.237 12 H ARG 3 H ARG 3 -8.641 2.877 -10.543 13 HA ARG 3 HA ARG 3 -10.746 4.810 -11.092 14 HB2 ARG 3 2HB ARG 3 -10.697 2.031 -12.274 15 HB3 ARG 3 1HB ARG 3 -12.141 3.031 -12.193 16 HG2 ARG 3 2HG ARG 3 -11.231 4.630 -13.680 17 HG3 ARG 3 1HG ARG 3 -9.621 3.918 -13.567 18 HD2 ARG 3 2HD ARG 3 -11.194 1.814 -14.406 19 HD3 ARG 3 1HD ARG 3 -11.871 3.196 -15.266 20 HE ARG 3 HE ARG 3 -9.007 3.049 -15.405 21 HH11 ARG 3 1HH1 ARG 3 -11.994 1.954 -16.838 22 HH12 ARG 3 2HH1 ARG 3 -11.280 1.632 -18.384 23 HH21 ARG 3 1HH2 ARG 3 -8.066 2.625 -17.436 24 HH22 ARG 3 2HH2 ARG 3 -9.051 2.013 -18.723 25 H GLY 4 H GLY 4 -12.833 4.156 -10.120 26 HA2 GLY 4 2HA GLY 4 -14.126 3.112 -8.494 27 HA3 GLY 4 1HA GLY 4 -12.788 2.019 -8.172 28 H TRP 5 H TRP 5 -13.081 2.251 -5.928 29 HA TRP 5 HA TRP 5 -12.874 4.849 -4.700 30 HB2 TRP 5 2HB TRP 5 -12.986 3.622 -2.581 31 HB3 TRP 5 1HB TRP 5 -14.250 3.085 -3.682 32 HD1 TRP 5 HD TRP 5 -11.075 1.885 -1.951 33 HE1 TRP 5 1HE TRP 5 -10.898 -0.669 -2.215 34 HE3 TRP 5 3HE TRP 5 -14.908 1.143 -5.252 35 HZ2 TRP 5 2HZ TRP 5 -12.211 -2.726 -3.636 36 HZ3 TRP 5 3HZ TRP 5 -15.381 -1.147 -6.014 37 HH2 TRP 5 HH TRP 5 -14.060 -3.042 -5.223 38 H ILE 6 H ILE 6 -11.254 5.021 -2.793 39 HA ILE 6 HA ILE 6 -8.635 4.946 -3.925 40 HB ILE 6 HB ILE 6 -7.920 5.751 -1.642 41 HG12 ILE 6 2HG1 ILE 6 -10.689 6.400 -0.904 42 HG13 ILE 6 1HG1 ILE 6 -10.310 4.683 -0.811 43 HG21 ILE 6 1HG2 ILE 6 -9.538 7.879 -1.944 44 HG22 ILE 6 2HG2 ILE 6 -9.761 7.096 -3.508 45 HG23 ILE 6 3HG2 ILE 6 -8.144 7.555 -2.975 46 HD11 ILE 6 3HD1 ILE 6 -8.819 4.967 0.891 47 HD12 ILE 6 1HD1 ILE 6 -9.952 6.273 1.238 48 HD13 ILE 6 2HD1 ILE 6 -8.428 6.621 0.423 49 H LYS 7 H LYS 7 -7.283 3.285 -3.933 50 HA LYS 7 HA LYS 7 -7.008 1.579 -1.616 51 HB2 LYS 7 2HB LYS 7 -7.383 -0.513 -2.839 52 HB3 LYS 7 1HB LYS 7 -8.837 0.474 -2.803 53 HG2 LYS 7 2HG LYS 7 -7.686 1.288 -5.130 54 HG3 LYS 7 1HG LYS 7 -7.218 -0.412 -5.070 55 HD2 LYS 7 2HD LYS 7 -9.362 -1.152 -5.274 56 HD3 LYS 7 1HD LYS 7 -10.037 0.243 -4.428 57 HE2 LYS 7 2HE LYS 7 -10.743 0.525 -6.639 58 HE3 LYS 7 1HE LYS 7 -9.345 1.590 -6.497 59 HZ1 LYS 7 3HZ LYS 7 -8.131 0.329 -7.897 60 HZ2 LYS 7 1HZ LYS 7 -9.650 -0.142 -8.474 61 HZ3 LYS 7 2HZ LYS 7 -8.815 -1.130 -7.385 62 H DBB 8 H DBB 8 -4.974 2.840 -1.859 63 HA DBB 8 HA DBB 8 -3.231 2.016 -4.029 64 HB3 DBB 8 HB DBB 8 -3.089 0.226 -2.290 65 HG1 DBB 8 3HG2 DBB 8 -0.630 0.172 -2.152 66 HG2 DBB 8 1HG2 DBB 8 -0.578 1.840 -2.724 67 HG3 DBB 8 2HG2 DBB 8 -1.201 0.568 -3.773 68 H LEU 9 H LEU 9 -3.508 3.764 -0.947 69 HA LEU 9 HA LEU 9 -2.527 6.168 -2.096 70 HB2 LEU 9 2HB LEU 9 -2.783 5.597 0.844 71 HB3 LEU 9 1HB LEU 9 -2.854 7.154 0.040 72 HG LEU 9 HG LEU 9 -4.939 5.879 -1.150 73 HD11 LEU 9 1HD1 LEU 9 -4.314 4.107 0.811 74 HD12 LEU 9 2HD1 LEU 9 -5.922 4.306 0.112 75 HD13 LEU 9 3HD1 LEU 9 -5.511 5.116 1.623 76 HD21 LEU 9 3HD2 LEU 9 -5.050 8.106 -0.245 77 HD22 LEU 9 1HD2 LEU 9 -4.927 7.487 1.402 78 HD23 LEU 9 2HD2 LEU 9 -6.366 7.150 0.439 79 H DBB 10 H DBB 10 -1.072 3.714 -0.043 80 HA DBB 10 HA DBB 10 1.426 5.229 0.027 81 HB3 DBB 10 HB DBB 10 2.759 3.441 -0.870 82 HG1 DBB 10 3HG2 DBB 10 1.768 1.368 -1.751 83 HG2 DBB 10 1HG2 DBB 10 0.231 1.827 -1.031 84 HG3 DBB 10 2HG2 DBB 10 1.607 1.463 0.000 85 H LYS 11 H LYS 11 0.609 5.439 2.256 86 HA LYS 11 HA LYS 11 1.862 3.476 3.939 87 HB2 LYS 11 2HB LYS 11 1.343 4.980 5.770 88 HB3 LYS 11 1HB LYS 11 2.017 5.886 4.421 89 HG2 LYS 11 2HG LYS 11 -0.030 6.858 3.891 90 HG3 LYS 11 1HG LYS 11 -0.943 5.648 4.794 91 HD2 LYS 11 2HD LYS 11 -0.924 7.758 5.997 92 HD3 LYS 11 1HD LYS 11 -0.019 6.535 6.892 93 HE2 LYS 11 2HE LYS 11 1.920 7.668 5.320 94 HE3 LYS 11 1HE LYS 11 0.889 9.048 5.696 95 HZ1 LYS 11 3HZ LYS 11 1.947 7.193 7.756 96 HZ2 LYS 11 1HZ LYS 11 1.185 8.683 8.005 97 HZ3 LYS 11 2HZ LYS 11 2.725 8.627 7.309 98 H ASP 12 H ASP 12 -1.266 3.853 2.673 99 HA ASP 12 HA ASP 12 -2.443 2.274 4.856 100 HB2 ASP 12 2HB ASP 12 -3.438 4.535 3.937 101 HB3 ASP 12 1HB ASP 12 -4.103 3.488 2.688 102 H CYS 13 H CYS 13 -0.738 1.210 2.659 103 HA CYS 13 HA CYS 13 -2.671 -0.766 1.657 104 HB2 CYS 13 2HB CYS 13 -0.347 0.224 0.009 105 HB3 CYS 13 1HB CYS 13 -1.678 -0.804 -0.509 106 HA PRO 14 HA PRO 14 0.510 -3.056 4.028 107 HB2 PRO 14 2HB PRO 14 -1.540 -5.161 3.605 108 HB3 PRO 14 1HB PRO 14 -0.711 -4.682 5.090 109 HG2 PRO 14 2HG PRO 14 -3.256 -4.012 4.675 110 HG3 PRO 14 1HG PRO 14 -2.132 -2.887 5.462 111 HD2 PRO 14 2HD PRO 14 -3.165 -2.886 2.655 112 HD3 PRO 14 1HD PRO 14 -2.855 -1.517 3.745 113 H ASN 15 H ASN 15 -1.024 -3.647 0.990 114 HA ASN 15 HA ASN 15 0.329 -5.968 0.185 115 HB2 ASN 15 2HB ASN 15 -1.601 -4.396 -0.921 116 HB3 ASN 15 1HB ASN 15 -0.218 -3.982 -1.928 117 HD21 ASN 15 1HD2 ASN 15 -1.098 -4.969 -3.733 118 HD22 ASN 15 2HD2 ASN 15 -1.191 -6.686 -3.894 119 H VAL 16 H VAL 16 1.232 -2.576 0.098 120 HA VAL 16 HA VAL 16 3.926 -3.377 -0.792 121 HB VAL 16 HB VAL 16 2.656 -0.710 -1.405 122 HG11 VAL 16 1HG1 VAL 16 5.060 -0.642 -1.371 123 HG12 VAL 16 2HG1 VAL 16 4.510 -0.569 -3.046 124 HG13 VAL 16 3HG1 VAL 16 5.155 -2.076 -2.393 125 HG21 VAL 16 3HG2 VAL 16 2.852 -1.915 -3.815 126 HG22 VAL 16 1HG2 VAL 16 1.380 -1.888 -2.844 127 HG23 VAL 16 2HG2 VAL 16 2.441 -3.296 -2.798 128 H ILE 17 H ILE 17 5.237 -3.208 0.911 129 HA ILE 17 HA ILE 17 4.890 -0.911 2.719 130 HB ILE 17 HB ILE 17 6.518 -3.147 3.718 131 HG12 ILE 17 2HG1 ILE 17 4.233 -4.286 4.400 132 HG13 ILE 17 1HG1 ILE 17 3.661 -3.536 2.912 133 HG21 ILE 17 1HG2 ILE 17 5.823 -2.394 5.727 134 HG22 ILE 17 2HG2 ILE 17 4.163 -2.151 5.184 135 HG23 ILE 17 3HG2 ILE 17 5.401 -0.954 4.800 136 HD11 ILE 17 3HD1 ILE 17 4.696 -5.043 1.639 137 HD12 ILE 17 1HD1 ILE 17 4.858 -5.988 3.120 138 HD13 ILE 17 2HD1 ILE 17 6.183 -4.953 2.585 139 H SER 18 H SER 18 7.326 -1.149 4.061 140 HA SER 18 HA SER 18 9.075 0.119 2.169 141 HB2 SER 18 2HB SER 18 10.605 0.309 4.176 142 HB3 SER 18 1HB SER 18 9.019 1.055 4.368 143 HG SER 18 HG SER 18 8.391 -0.595 5.667 144 H SER 19 H SER 19 8.498 -3.071 2.820 145 HA SER 19 HA SER 19 11.276 -3.931 2.565 146 HB2 SER 19 2HB SER 19 9.528 -6.159 2.473 147 HB3 SER 19 1HB SER 19 10.569 -5.652 3.806 148 HG SER 19 HG SER 19 8.567 -5.616 4.656 149 H ILE 20 H ILE 20 9.497 -2.662 0.386 150 HA ILE 20 HA ILE 20 9.189 -2.844 -1.840 151 HB ILE 20 HB ILE 20 11.503 -4.738 -1.505 152 HG12 ILE 20 2HG1 ILE 20 11.682 -2.278 -0.867 153 HG13 ILE 20 1HG1 ILE 20 12.861 -2.891 -2.006 154 HG21 ILE 20 1HG2 ILE 20 11.878 -4.248 -3.964 155 HG22 ILE 20 2HG2 ILE 20 10.210 -3.677 -4.001 156 HG23 ILE 20 3HG2 ILE 20 10.561 -5.351 -3.570 157 HD11 ILE 20 3HD1 ILE 20 10.432 -1.259 -2.673 158 HD12 ILE 20 1HD1 ILE 20 11.565 -1.921 -3.852 159 HD13 ILE 20 2HD1 ILE 20 12.108 -0.710 -2.691 160 H CYS 21 H CYS 21 8.422 -4.181 -3.555 161 HA CYS 21 HA CYS 21 6.741 -6.307 -2.580 162 HB2 CYS 21 2HB CYS 21 5.584 -6.137 -4.652 163 HB3 CYS 21 1HB CYS 21 5.937 -4.503 -4.125 164 H ALA 22 H ALA 22 9.357 -5.928 -4.896 165 HA ALA 22 HA ALA 22 10.866 -7.417 -5.738 166 HB1 ALA 22 1HB ALA 22 9.746 -9.614 -4.045 167 HB2 ALA 22 2HB ALA 22 10.670 -8.303 -3.311 168 HB3 ALA 22 3HB ALA 22 11.413 -9.323 -4.543 169 H GLY 23 H GLY 23 8.608 -6.974 -7.206 170 HA2 GLY 23 2HA GLY 23 7.240 -7.843 -8.841 171 HA3 GLY 23 1HA GLY 23 8.603 -8.911 -9.126 172 H THR 24 H THR 24 5.409 -8.616 -7.873 173 HA THR 24 HA THR 24 5.329 -11.527 -7.521 174 HB THR 24 HB THR 24 5.402 -10.753 -5.277 175 HG1 THR 24 1HG THR 24 3.634 -12.218 -5.869 176 HG21 THR 24 3HG2 THR 24 3.968 -9.062 -4.345 177 HG22 THR 24 1HG2 THR 24 3.208 -8.799 -5.913 178 HG23 THR 24 2HG2 THR 24 4.904 -8.382 -5.675 179 H ILE 25 H ILE 25 4.190 -12.033 -9.305 180 HA ILE 25 HA ILE 25 2.370 -12.334 -10.640 181 HB ILE 25 HB ILE 25 0.810 -10.689 -8.646 182 HG12 ILE 25 2HG1 ILE 25 0.930 -13.694 -8.686 183 HG13 ILE 25 1HG1 ILE 25 2.110 -12.759 -7.773 184 HG21 ILE 25 1HG2 ILE 25 -1.123 -11.834 -9.525 185 HG22 ILE 25 2HG2 ILE 25 -0.106 -12.797 -10.596 186 HG23 ILE 25 3HG2 ILE 25 -0.251 -11.057 -10.847 187 HD11 ILE 25 3HD1 ILE 25 -0.867 -12.838 -7.382 188 HD12 ILE 25 1HD1 ILE 25 0.195 -11.680 -6.582 189 HD13 ILE 25 2HD1 ILE 25 0.387 -13.407 -6.280 190 H ILE 26 H ILE 26 1.715 -9.094 -9.296 191 HA ILE 26 HA ILE 26 2.545 -7.776 -11.709 192 HB ILE 26 HB ILE 26 0.253 -6.715 -12.052 193 HG12 ILE 26 2HG1 ILE 26 -1.209 -9.065 -11.253 194 HG13 ILE 26 1HG1 ILE 26 -0.378 -8.381 -9.859 195 HG21 ILE 26 1HG2 ILE 26 1.469 -8.655 -13.366 196 HG22 ILE 26 2HG2 ILE 26 -0.173 -8.152 -13.771 197 HG23 ILE 26 3HG2 ILE 26 0.091 -9.590 -12.783 198 HD11 ILE 26 3HD1 ILE 26 -1.784 -6.441 -11.555 199 HD12 ILE 26 1HD1 ILE 26 -1.702 -6.575 -9.799 200 HD13 ILE 26 2HD1 ILE 26 -2.807 -7.603 -10.710 201 H THR 27 H THR 27 3.833 -6.861 -9.942 202 HA THR 27 HA THR 27 2.439 -4.579 -8.734 203 HB THR 27 HB THR 27 4.385 -5.257 -6.862 204 HG1 THR 27 1HG THR 27 2.936 -7.585 -7.575 205 HG21 THR 27 3HG2 THR 27 2.548 -5.854 -5.391 206 HG22 THR 27 1HG2 THR 27 1.454 -5.929 -6.773 207 HG23 THR 27 2HG2 THR 27 2.182 -4.391 -6.307 208 H ALA 28 H ALA 28 3.554 -2.698 -8.764 209 HA ALA 28 HA ALA 28 6.152 -2.732 -10.114 210 HB1 ALA 28 1HB ALA 28 5.746 -0.293 -10.417 211 HB2 ALA 28 2HB ALA 28 4.179 -0.504 -9.634 212 HB3 ALA 28 3HB ALA 28 4.520 -1.320 -11.160 213 H CYS 29 H CYS 29 4.562 -1.616 -7.185 214 HA CYS 29 HA CYS 29 5.352 -0.562 -5.307 215 HB2 CYS 29 2HB CYS 29 7.035 -1.906 -4.140 216 HB3 CYS 29 1HB CYS 29 5.805 -2.914 -4.891 217 H LYS 30 H LYS 30 5.986 1.225 -6.973 218 HA LYS 30 HA LYS 30 8.871 1.746 -6.757 219 HB2 LYS 30 2HB LYS 30 6.892 2.238 -8.868 220 HB3 LYS 30 1HB LYS 30 7.941 3.609 -8.534 221 HG2 LYS 30 2HG LYS 30 9.666 2.659 -9.563 222 HG3 LYS 30 1HG LYS 30 9.431 1.132 -8.710 223 HD2 LYS 30 2HD LYS 30 9.142 0.622 -10.990 224 HD3 LYS 30 1HD LYS 30 7.510 0.704 -10.322 225 HE2 LYS 30 2HE LYS 30 7.210 2.927 -11.212 226 HE3 LYS 30 1HE LYS 30 8.886 2.973 -11.759 227 HZ1 LYS 30 3HZ LYS 30 8.458 1.563 -13.489 228 HZ2 LYS 30 1HZ LYS 30 6.973 2.371 -13.400 229 HZ3 LYS 30 2HZ LYS 30 7.137 0.825 -12.732 230 H ASN 31 H ASN 31 5.997 3.769 -7.139 231 HA ASN 31 HA ASN 31 6.497 5.100 -4.613 232 HB2 ASN 31 2HB ASN 31 6.635 7.344 -5.607 233 HB3 ASN 31 1HB ASN 31 7.968 6.327 -6.147 234 HD21 ASN 31 1HD2 ASN 31 6.526 8.715 -7.294 235 HD22 ASN 31 2HD2 ASN 31 6.141 8.241 -8.910 236 H CYS 32 H CYS 32 4.546 5.066 -3.711 237 HA CYS 32 HA CYS 32 2.125 4.745 -5.056 238 HB2 CYS 32 2HB CYS 32 2.974 5.240 -2.317 239 HB3 CYS 32 1HB CYS 32 1.456 6.043 -2.685 240 H ALA 33 H ALA 33 3.920 7.630 -4.266 241 HA ALA 33 HA ALA 33 3.660 9.813 -4.852 242 HB1 ALA 33 1HB ALA 33 3.456 9.010 -7.109 243 HB2 ALA 33 2HB ALA 33 2.286 10.306 -6.859 244 HB3 ALA 33 3HB ALA 33 1.753 8.625 -6.862 Start of MODEL 15 1 H1 ALA 1 1HT ALA 1 -21.282 0.760 -11.224 2 H2 ALA 1 2HT ALA 1 -20.698 -0.852 -11.317 3 H3 ALA 1 3HT ALA 1 -21.162 -0.020 -12.745 4 HA ALA 1 HA ALA 1 -18.729 -0.243 -12.233 5 HB1 ALA 1 2HB ALA 1 -18.342 2.110 -13.040 6 HB2 ALA 1 3HB ALA 1 -20.082 2.359 -12.898 7 HB3 ALA 1 1HB ALA 1 -19.454 1.145 -14.010 8 H ASP 2 H ASP 2 -17.199 0.048 -10.747 9 HA ASP 2 HA ASP 2 -17.842 1.701 -8.407 10 HB2 ASP 2 2HB ASP 2 -16.216 -0.755 -8.834 11 HB3 ASP 2 1HB ASP 2 -15.673 0.366 -7.589 12 H ARG 3 H ARG 3 -17.250 3.422 -10.188 13 HA ARG 3 HA ARG 3 -14.374 3.871 -10.345 14 HB2 ARG 3 2HB ARG 3 -15.913 4.184 -12.325 15 HB3 ARG 3 1HB ARG 3 -16.581 5.582 -11.493 16 HG2 ARG 3 2HG ARG 3 -15.037 6.616 -12.797 17 HG3 ARG 3 1HG ARG 3 -14.042 6.289 -11.376 18 HD2 ARG 3 2HD ARG 3 -13.217 4.237 -12.450 19 HD3 ARG 3 1HD ARG 3 -14.186 4.606 -13.876 20 HE ARG 3 HE ARG 3 -12.396 6.725 -13.161 21 HH11 ARG 3 1HH1 ARG 3 -12.660 3.688 -14.861 22 HH12 ARG 3 2HH1 ARG 3 -11.336 4.026 -15.925 23 HH21 ARG 3 1HH2 ARG 3 -10.655 7.171 -14.560 24 HH22 ARG 3 2HH2 ARG 3 -10.198 6.003 -15.754 25 H GLY 4 H GLY 4 -15.097 4.012 -7.767 26 HA2 GLY 4 2HA GLY 4 -14.646 6.831 -7.173 27 HA3 GLY 4 1HA GLY 4 -16.096 6.114 -6.487 28 H TRP 5 H TRP 5 -12.976 4.527 -6.921 29 HA TRP 5 HA TRP 5 -12.658 4.484 -3.994 30 HB2 TRP 5 2HB TRP 5 -13.171 2.275 -5.681 31 HB3 TRP 5 1HB TRP 5 -11.483 2.149 -5.199 32 HD1 TRP 5 HD TRP 5 -11.302 2.713 -2.292 33 HE1 TRP 5 1HE TRP 5 -12.646 1.458 -0.492 34 HE3 TRP 5 3HE TRP 5 -15.109 0.941 -5.208 35 HZ2 TRP 5 2HZ TRP 5 -15.008 -0.080 -0.329 36 HZ3 TRP 5 3HZ TRP 5 -16.871 -0.414 -4.153 37 HH2 TRP 5 HH TRP 5 -16.820 -0.913 -1.764 38 H ILE 6 H ILE 6 -10.245 3.124 -3.896 39 HA ILE 6 HA ILE 6 -8.311 4.267 -5.664 40 HB ILE 6 HB ILE 6 -8.797 6.246 -4.285 41 HG12 ILE 6 2HG1 ILE 6 -6.406 6.562 -3.403 42 HG13 ILE 6 1HG1 ILE 6 -6.103 4.927 -3.981 43 HG21 ILE 6 1HG2 ILE 6 -9.506 5.063 -2.255 44 HG22 ILE 6 2HG2 ILE 6 -8.282 6.286 -1.916 45 HG23 ILE 6 3HG2 ILE 6 -7.834 4.581 -1.963 46 HD11 ILE 6 3HD1 ILE 6 -6.440 5.544 -6.218 47 HD12 ILE 6 1HD1 ILE 6 -5.459 6.831 -5.516 48 HD13 ILE 6 2HD1 ILE 6 -7.187 7.077 -5.766 49 H LYS 7 H LYS 7 -6.616 2.928 -5.737 50 HA LYS 7 HA LYS 7 -6.138 1.178 -3.414 51 HB2 LYS 7 2HB LYS 7 -5.329 -0.521 -5.066 52 HB3 LYS 7 1HB LYS 7 -7.050 -0.176 -5.161 53 HG2 LYS 7 2HG LYS 7 -5.379 1.468 -6.920 54 HG3 LYS 7 1HG LYS 7 -5.363 -0.259 -7.281 55 HD2 LYS 7 2HD LYS 7 -7.808 -0.262 -7.377 56 HD3 LYS 7 1HD LYS 7 -7.825 1.464 -7.010 57 HE2 LYS 7 2HE LYS 7 -8.015 1.495 -9.303 58 HE3 LYS 7 1HE LYS 7 -6.268 1.628 -9.102 59 HZ1 LYS 7 3HZ LYS 7 -6.854 -0.003 -10.788 60 HZ2 LYS 7 1HZ LYS 7 -7.751 -0.886 -9.656 61 HZ3 LYS 7 2HZ LYS 7 -6.074 -0.745 -9.484 62 H DBB 8 H DBB 8 -4.236 1.448 -2.492 63 HA DBB 8 HA DBB 8 -1.871 1.939 -4.099 64 HB3 DBB 8 HB DBB 8 -1.772 0.247 -2.343 65 HG1 DBB 8 3HG2 DBB 8 0.193 0.931 -1.134 66 HG2 DBB 8 1HG2 DBB 8 -0.138 2.627 -1.474 67 HG3 DBB 8 2HG2 DBB 8 0.307 1.538 -2.785 68 H LEU 9 H LEU 9 -3.671 3.541 -1.494 69 HA LEU 9 HA LEU 9 -2.989 6.116 -2.464 70 HB2 LEU 9 2HB LEU 9 -4.350 6.988 -0.774 71 HB3 LEU 9 1HB LEU 9 -5.090 5.466 -1.224 72 HG LEU 9 HG LEU 9 -5.259 5.540 1.107 73 HD11 LEU 9 1HD1 LEU 9 -2.767 3.955 0.522 74 HD12 LEU 9 2HD1 LEU 9 -4.425 3.393 0.322 75 HD13 LEU 9 3HD1 LEU 9 -3.808 3.765 1.931 76 HD21 LEU 9 3HD2 LEU 9 -3.801 6.494 2.570 77 HD22 LEU 9 1HD2 LEU 9 -3.371 7.399 1.118 78 HD23 LEU 9 2HD2 LEU 9 -2.381 6.033 1.632 79 H DBB 10 H DBB 10 -1.153 3.994 -0.631 80 HA DBB 10 HA DBB 10 0.131 6.028 0.983 81 HB3 DBB 10 HB DBB 10 1.150 6.304 -1.253 82 HG1 DBB 10 3HG2 DBB 10 3.559 5.933 -0.567 83 HG2 DBB 10 1HG2 DBB 10 2.929 5.267 0.940 84 HG3 DBB 10 2HG2 DBB 10 2.587 6.940 0.506 85 H LYS 11 H LYS 11 1.350 5.228 2.653 86 HA LYS 11 HA LYS 11 2.144 2.490 2.829 87 HB2 LYS 11 2HB LYS 11 1.964 4.526 5.052 88 HB3 LYS 11 1HB LYS 11 2.908 3.043 5.057 89 HG2 LYS 11 2HG LYS 11 4.625 4.057 4.095 90 HG3 LYS 11 1HG LYS 11 3.606 4.659 2.787 91 HD2 LYS 11 2HD LYS 11 4.288 6.645 3.694 92 HD3 LYS 11 1HD LYS 11 2.831 6.365 4.650 93 HE2 LYS 11 2HE LYS 11 3.988 6.047 6.550 94 HE3 LYS 11 1HE LYS 11 5.261 5.134 5.739 95 HZ1 LYS 11 3HZ LYS 11 4.977 8.091 5.756 96 HZ2 LYS 11 1HZ LYS 11 6.182 7.231 4.937 97 HZ3 LYS 11 2HZ LYS 11 6.119 7.196 6.627 98 H ASP 12 H ASP 12 -0.831 3.967 3.202 99 HA ASP 12 HA ASP 12 -1.793 2.245 5.326 100 HB2 ASP 12 2HB ASP 12 -2.686 4.680 4.030 101 HB3 ASP 12 1HB ASP 12 -3.993 3.504 4.142 102 H CYS 13 H CYS 13 -0.823 1.079 2.781 103 HA CYS 13 HA CYS 13 -3.303 -0.185 1.828 104 HB2 CYS 13 2HB CYS 13 -0.620 0.171 0.483 105 HB3 CYS 13 1HB CYS 13 -1.909 -0.834 -0.169 106 HA PRO 14 HA PRO 14 -1.178 -3.550 4.141 107 HB2 PRO 14 2HB PRO 14 -3.855 -4.498 4.755 108 HB3 PRO 14 1HB PRO 14 -2.600 -3.933 5.859 109 HG2 PRO 14 2HG PRO 14 -4.905 -2.562 5.392 110 HG3 PRO 14 1HG PRO 14 -3.382 -1.781 5.852 111 HD2 PRO 14 2HD PRO 14 -4.639 -2.042 3.145 112 HD3 PRO 14 1HD PRO 14 -3.805 -0.655 3.873 113 H ASN 15 H ASN 15 -3.245 -3.380 1.470 114 HA ASN 15 HA ASN 15 -3.342 -6.254 1.047 115 HB2 ASN 15 2HB ASN 15 -5.195 -4.418 0.536 116 HB3 ASN 15 1HB ASN 15 -4.326 -4.302 -0.990 117 HD21 ASN 15 1HD2 ASN 15 -5.996 -5.145 -2.191 118 HD22 ASN 15 2HD2 ASN 15 -6.462 -6.806 -2.111 119 H VAL 16 H VAL 16 -3.287 -5.584 -1.969 120 HA VAL 16 HA VAL 16 -1.789 -5.625 -3.679 121 HB VAL 16 HB VAL 16 0.218 -4.403 -1.786 122 HG11 VAL 16 1HG1 VAL 16 0.092 -4.912 -4.680 123 HG12 VAL 16 2HG1 VAL 16 1.486 -4.753 -3.614 124 HG13 VAL 16 3HG1 VAL 16 0.669 -3.311 -4.218 125 HG21 VAL 16 3HG2 VAL 16 -0.729 -2.294 -3.175 126 HG22 VAL 16 1HG2 VAL 16 -1.315 -2.759 -1.578 127 HG23 VAL 16 2HG2 VAL 16 -2.200 -3.255 -3.021 128 H ILE 17 H ILE 17 -2.063 -7.860 -1.899 129 HA ILE 17 HA ILE 17 0.611 -8.961 -1.597 130 HB ILE 17 HB ILE 17 -2.013 -10.335 -1.035 131 HG12 ILE 17 2HG1 ILE 17 -0.284 -8.935 1.001 132 HG13 ILE 17 1HG1 ILE 17 -1.622 -8.121 0.197 133 HG21 ILE 17 1HG2 ILE 17 -0.373 -11.468 0.669 134 HG22 ILE 17 2HG2 ILE 17 0.850 -10.934 -0.484 135 HG23 ILE 17 3HG2 ILE 17 -0.448 -12.006 -1.010 136 HD11 ILE 17 3HD1 ILE 17 -3.010 -10.147 1.035 137 HD12 ILE 17 1HD1 ILE 17 -2.590 -8.848 2.152 138 HD13 ILE 17 2HD1 ILE 17 -1.675 -10.355 2.169 139 H SER 18 H SER 18 -1.098 -8.525 -4.226 140 HA SER 18 HA SER 18 -1.235 -11.188 -5.304 141 HB2 SER 18 2HB SER 18 -2.011 -10.149 -7.326 142 HB3 SER 18 1HB SER 18 -2.766 -9.303 -5.974 143 HG SER 18 HG SER 18 -1.123 -8.342 -7.888 144 H SER 19 H SER 19 -0.264 -10.981 -7.837 145 HA SER 19 HA SER 19 2.458 -11.553 -7.517 146 HB2 SER 19 2HB SER 19 1.511 -10.678 -10.198 147 HB3 SER 19 1HB SER 19 2.443 -12.104 -9.743 148 HG SER 19 HG SER 19 0.484 -12.960 -8.859 149 H ILE 20 H ILE 20 0.795 -8.604 -8.425 150 HA ILE 20 HA ILE 20 3.175 -7.063 -7.871 151 HB ILE 20 HB ILE 20 1.896 -6.922 -10.608 152 HG12 ILE 20 2HG1 ILE 20 4.635 -7.856 -9.729 153 HG13 ILE 20 1HG1 ILE 20 3.352 -8.857 -10.392 154 HG21 ILE 20 1HG2 ILE 20 2.523 -4.723 -10.000 155 HG22 ILE 20 2HG2 ILE 20 3.800 -5.327 -11.055 156 HG23 ILE 20 3HG2 ILE 20 4.050 -5.272 -9.309 157 HD11 ILE 20 3HD1 ILE 20 3.523 -7.709 -12.520 158 HD12 ILE 20 1HD1 ILE 20 5.082 -8.379 -12.042 159 HD13 ILE 20 2HD1 ILE 20 4.771 -6.651 -11.862 160 H CYS 21 H CYS 21 2.741 -4.760 -7.870 161 HA CYS 21 HA CYS 21 0.730 -3.888 -6.327 162 HB2 CYS 21 2HB CYS 21 2.381 -2.569 -8.396 163 HB3 CYS 21 1HB CYS 21 0.949 -1.693 -7.886 164 H ALA 22 H ALA 22 0.530 -4.426 -9.771 165 HA ALA 22 HA ALA 22 -1.233 -4.609 -11.202 166 HB1 ALA 22 1HB ALA 22 -3.415 -5.165 -10.325 167 HB2 ALA 22 2HB ALA 22 -2.942 -4.616 -8.716 168 HB3 ALA 22 3HB ALA 22 -2.176 -6.039 -9.424 169 H GLY 23 H GLY 23 -0.788 -2.503 -12.010 170 HA2 GLY 23 2HA GLY 23 -2.679 -0.794 -12.591 171 HA3 GLY 23 1HA GLY 23 -2.410 -0.317 -10.921 172 H THR 24 H THR 24 -1.299 -0.108 -14.159 173 HA THR 24 HA THR 24 0.413 1.008 -15.171 174 HB THR 24 HB THR 24 0.996 3.220 -13.920 175 HG1 THR 24 1HG THR 24 0.244 3.082 -11.944 176 HG21 THR 24 3HG2 THR 24 -1.073 4.285 -14.605 177 HG22 THR 24 1HG2 THR 24 -1.840 2.708 -14.782 178 HG23 THR 24 2HG2 THR 24 -0.502 3.159 -15.839 179 H ILE 25 H ILE 25 1.155 -1.068 -13.226 180 HA ILE 25 HA ILE 25 3.301 -0.385 -11.608 181 HB ILE 25 HB ILE 25 3.981 -2.681 -11.660 182 HG12 ILE 25 2HG1 ILE 25 3.917 -2.948 -14.145 183 HG13 ILE 25 1HG1 ILE 25 3.199 -4.297 -13.275 184 HG21 ILE 25 1HG2 ILE 25 1.467 -3.699 -11.689 185 HG22 ILE 25 2HG2 ILE 25 1.140 -1.976 -11.500 186 HG23 ILE 25 3HG2 ILE 25 2.175 -2.809 -10.341 187 HD11 ILE 25 3HD1 ILE 25 0.965 -3.157 -13.681 188 HD12 ILE 25 1HD1 ILE 25 1.767 -3.889 -15.071 189 HD13 ILE 25 2HD1 ILE 25 1.828 -2.143 -14.837 190 H ILE 26 H ILE 26 5.626 -1.058 -11.991 191 HA ILE 26 HA ILE 26 6.464 -0.067 -14.631 192 HB ILE 26 HB ILE 26 8.702 0.314 -13.415 193 HG12 ILE 26 2HG1 ILE 26 7.017 0.562 -10.952 194 HG13 ILE 26 1HG1 ILE 26 7.698 -1.007 -11.370 195 HG21 ILE 26 1HG2 ILE 26 7.851 2.498 -12.483 196 HG22 ILE 26 2HG2 ILE 26 6.230 1.949 -12.907 197 HG23 ILE 26 3HG2 ILE 26 7.444 2.168 -14.168 198 HD11 ILE 26 3HD1 ILE 26 9.200 1.538 -10.821 199 HD12 ILE 26 1HD1 ILE 26 9.943 0.053 -11.416 200 HD13 ILE 26 2HD1 ILE 26 9.163 0.076 -9.835 201 H THR 27 H THR 27 6.995 -2.573 -12.227 202 HA THR 27 HA THR 27 7.612 -4.575 -14.039 203 HB THR 27 HB THR 27 9.640 -3.426 -14.597 204 HG1 THR 27 1HG THR 27 11.179 -4.977 -13.887 205 HG21 THR 27 3HG2 THR 27 11.323 -2.758 -13.065 206 HG22 THR 27 1HG2 THR 27 10.449 -3.464 -11.706 207 HG23 THR 27 2HG2 THR 27 9.801 -2.045 -12.529 208 H ALA 28 H ALA 28 8.700 -3.379 -10.862 209 HA ALA 28 HA ALA 28 7.944 -5.995 -9.738 210 HB1 ALA 28 1HB ALA 28 10.070 -6.179 -9.108 211 HB2 ALA 28 2HB ALA 28 9.743 -4.890 -7.947 212 HB3 ALA 28 3HB ALA 28 10.417 -4.503 -9.531 213 H CYS 29 H CYS 29 6.838 -2.971 -9.938 214 HA CYS 29 HA CYS 29 5.410 -1.701 -8.710 215 HB2 CYS 29 2HB CYS 29 3.895 -3.335 -8.265 216 HB3 CYS 29 1HB CYS 29 5.100 -4.435 -7.628 217 H LYS 30 H LYS 30 6.628 -0.095 -7.905 218 HA LYS 30 HA LYS 30 8.641 -0.339 -5.978 219 HB2 LYS 30 2HB LYS 30 7.701 1.672 -7.596 220 HB3 LYS 30 1HB LYS 30 7.264 2.248 -5.994 221 HG2 LYS 30 2HG LYS 30 9.812 1.469 -5.558 222 HG3 LYS 30 1HG LYS 30 9.903 1.964 -7.249 223 HD2 LYS 30 2HD LYS 30 9.226 4.157 -6.760 224 HD3 LYS 30 1HD LYS 30 8.614 3.703 -5.168 225 HE2 LYS 30 2HE LYS 30 11.186 2.996 -4.877 226 HE3 LYS 30 1HE LYS 30 11.374 4.302 -6.047 227 HZ1 LYS 30 3HZ LYS 30 9.629 4.855 -3.790 228 HZ2 LYS 30 1HZ LYS 30 10.770 5.849 -4.547 229 HZ3 LYS 30 2HZ LYS 30 11.272 4.689 -3.423 230 H ASN 31 H ASN 31 5.198 -0.090 -5.644 231 HA ASN 31 HA ASN 31 3.822 -0.189 -3.831 232 HB2 ASN 31 2HB ASN 31 5.768 -1.934 -3.239 233 HB3 ASN 31 1HB ASN 31 6.044 -0.776 -1.941 234 HD21 ASN 31 1HD2 ASN 31 4.815 -3.599 -2.288 235 HD22 ASN 31 2HD2 ASN 31 3.391 -3.517 -1.314 236 H CYS 32 H CYS 32 3.726 0.648 -1.392 237 HA CYS 32 HA CYS 32 4.684 3.422 -1.509 238 HB2 CYS 32 2HB CYS 32 2.251 2.110 -0.423 239 HB3 CYS 32 1HB CYS 32 2.869 3.498 0.464 240 H ALA 33 H ALA 33 6.405 1.291 -0.661 241 HA ALA 33 HA ALA 33 6.584 1.632 2.239 242 HB1 ALA 33 1HB ALA 33 6.898 -0.590 0.755 243 HB2 ALA 33 2HB ALA 33 7.660 -0.350 2.327 244 HB3 ALA 33 3HB ALA 33 8.572 -0.044 0.849 Start of MODEL 16 1 H1 ALA 1 1HT ALA 1 -10.795 6.039 -6.551 2 H2 ALA 1 2HT ALA 1 -10.463 6.851 -5.076 3 H3 ALA 1 3HT ALA 1 -11.498 7.572 -6.240 4 HA ALA 1 HA ALA 1 -12.096 4.972 -5.042 5 HB1 ALA 1 2HB ALA 1 -12.038 6.132 -3.077 6 HB2 ALA 1 3HB ALA 1 -13.676 6.522 -3.601 7 HB3 ALA 1 1HB ALA 1 -12.370 7.681 -3.851 8 H ASP 2 H ASP 2 -12.426 5.982 -7.723 9 HA ASP 2 HA ASP 2 -15.265 6.652 -7.881 10 HB2 ASP 2 2HB ASP 2 -13.174 7.594 -9.313 11 HB3 ASP 2 1HB ASP 2 -13.699 6.283 -10.366 12 H ARG 3 H ARG 3 -13.012 4.079 -8.664 13 HA ARG 3 HA ARG 3 -15.141 2.481 -9.865 14 HB2 ARG 3 2HB ARG 3 -12.912 2.574 -10.951 15 HB3 ARG 3 1HB ARG 3 -12.209 1.832 -9.519 16 HG2 ARG 3 2HG ARG 3 -13.822 -0.095 -9.924 17 HG3 ARG 3 1HG ARG 3 -14.094 0.622 -11.514 18 HD2 ARG 3 2HD ARG 3 -11.424 -0.233 -10.401 19 HD3 ARG 3 1HD ARG 3 -12.380 -1.133 -11.576 20 HE ARG 3 HE ARG 3 -12.064 1.276 -12.760 21 HH11 ARG 3 1HH1 ARG 3 -9.824 -0.992 -11.338 22 HH12 ARG 3 2HH1 ARG 3 -8.519 -0.552 -12.387 23 HH21 ARG 3 1HH2 ARG 3 -10.348 1.855 -14.141 24 HH22 ARG 3 2HH2 ARG 3 -8.816 1.065 -13.978 25 H GLY 4 H GLY 4 -13.229 2.706 -6.961 26 HA2 GLY 4 2HA GLY 4 -14.921 1.364 -5.295 27 HA3 GLY 4 1HA GLY 4 -13.924 0.094 -5.987 28 H TRP 5 H TRP 5 -13.510 3.329 -4.544 29 HA TRP 5 HA TRP 5 -12.056 4.118 -2.986 30 HB2 TRP 5 2HB TRP 5 -12.978 2.016 -1.787 31 HB3 TRP 5 1HB TRP 5 -11.422 1.292 -2.176 32 HD1 TRP 5 HD TRP 5 -9.424 3.561 -1.522 33 HE1 TRP 5 1HE TRP 5 -9.115 4.416 0.885 34 HE3 TRP 5 3HE TRP 5 -13.877 2.023 0.464 35 HZ2 TRP 5 2HZ TRP 5 -10.566 4.436 3.306 36 HZ3 TRP 5 3HZ TRP 5 -14.337 2.498 2.834 37 HH2 TRP 5 HH TRP 5 -12.715 3.680 4.224 38 H ILE 6 H ILE 6 -10.103 4.926 -3.358 39 HA ILE 6 HA ILE 6 -8.400 3.999 -5.357 40 HB ILE 6 HB ILE 6 -8.433 6.316 -4.431 41 HG12 ILE 6 2HG1 ILE 6 -6.583 5.369 -5.872 42 HG13 ILE 6 1HG1 ILE 6 -6.141 6.762 -4.894 43 HG21 ILE 6 1HG2 ILE 6 -8.381 5.552 -2.033 44 HG22 ILE 6 2HG2 ILE 6 -7.309 6.894 -2.436 45 HG23 ILE 6 3HG2 ILE 6 -6.654 5.268 -2.248 46 HD11 ILE 6 3HD1 ILE 6 -4.331 5.368 -4.635 47 HD12 ILE 6 1HD1 ILE 6 -5.322 3.910 -4.603 48 HD13 ILE 6 2HD1 ILE 6 -5.292 4.988 -3.208 49 H LYS 7 H LYS 7 -7.162 2.255 -5.422 50 HA LYS 7 HA LYS 7 -6.296 1.014 -2.916 51 HB2 LYS 7 2HB LYS 7 -5.762 -0.946 -4.329 52 HB3 LYS 7 1HB LYS 7 -7.446 -0.458 -4.455 53 HG2 LYS 7 2HG LYS 7 -6.110 0.931 -6.481 54 HG3 LYS 7 1HG LYS 7 -5.457 -0.708 -6.509 55 HD2 LYS 7 2HD LYS 7 -7.816 -1.554 -6.515 56 HD3 LYS 7 1HD LYS 7 -8.350 0.116 -6.714 57 HE2 LYS 7 2HE LYS 7 -7.661 0.221 -8.875 58 HE3 LYS 7 1HE LYS 7 -6.284 -0.845 -8.599 59 HZ1 LYS 7 3HZ LYS 7 -9.022 -1.502 -9.344 60 HZ2 LYS 7 1HZ LYS 7 -8.259 -2.566 -8.271 61 HZ3 LYS 7 2HZ LYS 7 -7.569 -2.251 -9.782 62 H DBB 8 H DBB 8 -4.409 1.768 -2.200 63 HA DBB 8 HA DBB 8 -2.183 1.942 -4.118 64 HB3 DBB 8 HB DBB 8 -1.970 0.203 -2.337 65 HG1 DBB 8 3HG2 DBB 8 0.248 0.699 -1.607 66 HG2 DBB 8 1HG2 DBB 8 0.010 2.427 -1.864 67 HG3 DBB 8 2HG2 DBB 8 0.081 1.333 -3.244 68 H LEU 9 H LEU 9 -3.576 3.477 -1.232 69 HA LEU 9 HA LEU 9 -2.792 6.070 -2.226 70 HB2 LEU 9 2HB LEU 9 -4.215 6.990 -0.613 71 HB3 LEU 9 1HB LEU 9 -5.015 5.525 -1.145 72 HG LEU 9 HG LEU 9 -3.337 5.582 1.353 73 HD11 LEU 9 1HD1 LEU 9 -5.667 5.739 2.467 74 HD12 LEU 9 2HD1 LEU 9 -6.160 6.477 0.943 75 HD13 LEU 9 3HD1 LEU 9 -4.880 7.214 1.906 76 HD21 LEU 9 3HD2 LEU 9 -5.044 3.736 1.901 77 HD22 LEU 9 1HD2 LEU 9 -3.767 3.372 0.739 78 HD23 LEU 9 2HD2 LEU 9 -5.395 3.746 0.173 79 H DBB 10 H DBB 10 -0.709 4.142 -1.179 80 HA DBB 10 HA DBB 10 0.493 5.998 0.761 81 HB3 DBB 10 HB DBB 10 2.665 5.305 -0.096 82 HG1 DBB 10 3HG2 DBB 10 1.270 3.795 -2.286 83 HG2 DBB 10 1HG2 DBB 10 1.863 2.983 -0.836 84 HG3 DBB 10 2HG2 DBB 10 2.988 3.836 -1.892 85 H LYS 11 H LYS 11 1.508 5.241 2.567 86 HA LYS 11 HA LYS 11 2.115 2.542 3.095 87 HB2 LYS 11 2HB LYS 11 2.262 3.359 5.503 88 HB3 LYS 11 1HB LYS 11 3.310 4.145 4.331 89 HG2 LYS 11 2HG LYS 11 2.277 6.137 4.536 90 HG3 LYS 11 1HG LYS 11 0.683 5.411 4.756 91 HD2 LYS 11 2HD LYS 11 2.558 4.897 6.951 92 HD3 LYS 11 1HD LYS 11 2.151 6.600 6.726 93 HE2 LYS 11 2HE LYS 11 -0.155 6.189 7.020 94 HE3 LYS 11 1HE LYS 11 0.057 4.446 6.857 95 HZ1 LYS 11 3HZ LYS 11 1.020 6.128 9.107 96 HZ2 LYS 11 1HZ LYS 11 1.313 4.469 8.944 97 HZ3 LYS 11 2HZ LYS 11 -0.268 5.032 9.155 98 H ASP 12 H ASP 12 -0.899 4.041 2.997 99 HA ASP 12 HA ASP 12 -2.105 2.444 5.092 100 HB2 ASP 12 2HB ASP 12 -3.122 4.506 3.160 101 HB3 ASP 12 1HB ASP 12 -4.247 3.488 4.054 102 H CYS 13 H CYS 13 -0.823 1.127 2.755 103 HA CYS 13 HA CYS 13 -3.169 -0.312 1.714 104 HB2 CYS 13 2HB CYS 13 -0.463 -0.032 0.397 105 HB3 CYS 13 1HB CYS 13 -1.890 -0.808 -0.285 106 HA PRO 14 HA PRO 14 -1.191 -3.547 4.201 107 HB2 PRO 14 2HB PRO 14 -3.623 -5.071 3.651 108 HB3 PRO 14 1HB PRO 14 -2.993 -4.494 5.195 109 HG2 PRO 14 2HG PRO 14 -5.218 -3.470 4.045 110 HG3 PRO 14 1HG PRO 14 -4.139 -2.510 5.071 111 HD2 PRO 14 2HD PRO 14 -4.346 -2.596 2.085 112 HD3 PRO 14 1HD PRO 14 -4.107 -1.201 3.161 113 H ASN 15 H ASN 15 -0.222 -3.361 1.676 114 HA ASN 15 HA ASN 15 0.054 -6.118 0.932 115 HB2 ASN 15 2HB ASN 15 -1.989 -4.882 -0.319 116 HB3 ASN 15 1HB ASN 15 -0.672 -4.404 -1.384 117 HD21 ASN 15 1HD2 ASN 15 -3.011 -6.600 -1.007 118 HD22 ASN 15 2HD2 ASN 15 -2.310 -7.949 -1.828 119 H VAL 16 H VAL 16 1.065 -5.252 -1.753 120 HA VAL 16 HA VAL 16 3.130 -4.839 -2.639 121 HB VAL 16 HB VAL 16 3.105 -2.406 -0.855 122 HG11 VAL 16 1HG1 VAL 16 4.015 -2.168 -3.620 123 HG12 VAL 16 2HG1 VAL 16 4.984 -3.277 -2.650 124 HG13 VAL 16 3HG1 VAL 16 4.765 -1.608 -2.125 125 HG21 VAL 16 3HG2 VAL 16 0.928 -2.597 -1.928 126 HG22 VAL 16 1HG2 VAL 16 1.704 -2.800 -3.498 127 HG23 VAL 16 2HG2 VAL 16 1.852 -1.271 -2.634 128 H ILE 17 H ILE 17 3.163 -6.527 -0.326 129 HA ILE 17 HA ILE 17 5.537 -5.715 1.165 130 HB ILE 17 HB ILE 17 3.967 -8.263 1.511 131 HG12 ILE 17 2HG1 ILE 17 3.582 -5.706 3.074 132 HG13 ILE 17 1HG1 ILE 17 2.561 -6.160 1.713 133 HG21 ILE 17 1HG2 ILE 17 4.899 -7.749 3.928 134 HG22 ILE 17 2HG2 ILE 17 6.116 -6.863 3.009 135 HG23 ILE 17 3HG2 ILE 17 5.874 -8.586 2.721 136 HD11 ILE 17 3HD1 ILE 17 2.928 -7.810 4.202 137 HD12 ILE 17 1HD1 ILE 17 1.807 -8.123 2.876 138 HD13 ILE 17 2HD1 ILE 17 1.582 -6.709 3.907 139 H SER 18 H SER 18 5.394 -6.713 -1.758 140 HA SER 18 HA SER 18 7.466 -8.787 -1.466 141 HB2 SER 18 2HB SER 18 6.736 -9.625 -3.705 142 HB3 SER 18 1HB SER 18 5.495 -9.781 -2.463 143 HG SER 18 HG SER 18 4.439 -8.020 -3.317 144 H SER 19 H SER 19 6.285 -6.641 -4.060 145 HA SER 19 HA SER 19 8.493 -4.947 -4.157 146 HB2 SER 19 2HB SER 19 9.185 -7.493 -5.076 147 HB3 SER 19 1HB SER 19 8.932 -6.547 -6.542 148 HG SER 19 HG SER 19 10.644 -5.899 -4.374 149 H ILE 20 H ILE 20 7.462 -3.241 -4.947 150 HA ILE 20 HA ILE 20 6.297 -1.882 -6.340 151 HB ILE 20 HB ILE 20 7.575 -3.696 -8.044 152 HG12 ILE 20 2HG1 ILE 20 6.122 -1.107 -8.586 153 HG13 ILE 20 1HG1 ILE 20 7.817 -1.302 -8.158 154 HG21 ILE 20 1HG2 ILE 20 4.736 -3.279 -8.971 155 HG22 ILE 20 2HG2 ILE 20 5.430 -4.813 -8.446 156 HG23 ILE 20 3HG2 ILE 20 6.040 -4.021 -9.899 157 HD11 ILE 20 3HD1 ILE 20 8.258 -2.383 -10.275 158 HD12 ILE 20 1HD1 ILE 20 7.499 -0.812 -10.536 159 HD13 ILE 20 2HD1 ILE 20 6.550 -2.291 -10.703 160 H CYS 21 H CYS 21 4.168 -1.430 -6.917 161 HA CYS 21 HA CYS 21 2.213 -3.141 -5.721 162 HB2 CYS 21 2HB CYS 21 1.508 -0.811 -7.469 163 HB3 CYS 21 1HB CYS 21 0.679 -1.419 -6.051 164 H ALA 22 H ALA 22 2.869 -4.957 -7.217 165 HA ALA 22 HA ALA 22 1.318 -4.822 -9.718 166 HB1 ALA 22 1HB ALA 22 2.799 -6.421 -10.683 167 HB2 ALA 22 2HB ALA 22 3.599 -6.699 -9.135 168 HB3 ALA 22 3HB ALA 22 3.783 -5.150 -9.958 169 H GLY 23 H GLY 23 -0.489 -5.306 -8.139 170 HA2 GLY 23 2HA GLY 23 -0.786 -8.230 -7.962 171 HA3 GLY 23 1HA GLY 23 -1.167 -7.228 -6.570 172 H THR 24 H THR 24 -1.935 -7.459 -10.040 173 HA THR 24 HA THR 24 -3.838 -6.943 -11.198 174 HB THR 24 HB THR 24 -4.344 -9.167 -10.264 175 HG1 THR 24 1HG THR 24 -5.907 -8.267 -11.581 176 HG21 THR 24 3HG2 THR 24 -4.343 -8.758 -7.903 177 HG22 THR 24 1HG2 THR 24 -5.928 -9.356 -8.388 178 HG23 THR 24 2HG2 THR 24 -5.697 -7.639 -8.056 179 H ILE 25 H ILE 25 -3.040 -4.754 -9.711 180 HA ILE 25 HA ILE 25 -5.626 -3.485 -9.214 181 HB ILE 25 HB ILE 25 -4.410 -2.226 -7.273 182 HG12 ILE 25 2HG1 ILE 25 -3.165 -4.668 -6.378 183 HG13 ILE 25 1HG1 ILE 25 -2.456 -4.165 -7.907 184 HG21 ILE 25 1HG2 ILE 25 -5.575 -4.992 -7.046 185 HG22 ILE 25 2HG2 ILE 25 -6.427 -3.451 -6.933 186 HG23 ILE 25 3HG2 ILE 25 -5.290 -3.927 -5.671 187 HD11 ILE 25 3HD1 ILE 25 -1.832 -3.228 -5.372 188 HD12 ILE 25 1HD1 ILE 25 -2.743 -1.922 -6.131 189 HD13 ILE 25 2HD1 ILE 25 -1.300 -2.563 -6.916 190 H ILE 26 H ILE 26 -2.107 -2.893 -9.296 191 HA ILE 26 HA ILE 26 -2.664 -0.412 -10.788 192 HB ILE 26 HB ILE 26 -0.203 -0.983 -9.138 193 HG12 ILE 26 2HG1 ILE 26 -2.512 0.828 -8.414 194 HG13 ILE 26 1HG1 ILE 26 -2.347 -0.817 -7.807 195 HG21 ILE 26 1HG2 ILE 26 -1.213 1.417 -10.629 196 HG22 ILE 26 2HG2 ILE 26 0.349 0.608 -10.765 197 HG23 ILE 26 3HG2 ILE 26 -0.031 1.559 -9.329 198 HD11 ILE 26 3HD1 ILE 26 0.055 0.761 -7.409 199 HD12 ILE 26 1HD1 ILE 26 -0.881 -0.196 -6.260 200 HD13 ILE 26 2HD1 ILE 26 -1.364 1.459 -6.629 201 H THR 27 H THR 27 -1.066 0.204 -12.398 202 HA THR 27 HA THR 27 -0.450 -1.898 -14.160 203 HB THR 27 HB THR 27 1.057 -0.007 -15.206 204 HG1 THR 27 1HG THR 27 0.616 2.000 -14.467 205 HG21 THR 27 3HG2 THR 27 -1.926 0.328 -15.009 206 HG22 THR 27 1HG2 THR 27 -1.072 -0.691 -16.168 207 HG23 THR 27 2HG2 THR 27 -0.872 1.061 -16.220 208 H ALA 28 H ALA 28 2.047 0.347 -13.021 209 HA ALA 28 HA ALA 28 3.781 -1.982 -12.507 210 HB1 ALA 28 1HB ALA 28 5.523 -1.046 -13.625 211 HB2 ALA 28 2HB ALA 28 5.013 0.604 -13.268 212 HB3 ALA 28 3HB ALA 28 4.198 -0.317 -14.532 213 H CYS 29 H CYS 29 2.804 1.231 -11.488 214 HA CYS 29 HA CYS 29 3.021 2.345 -9.521 215 HB2 CYS 29 2HB CYS 29 2.138 0.361 -8.470 216 HB3 CYS 29 1HB CYS 29 3.712 -0.423 -8.514 217 H LYS 30 H LYS 30 4.602 3.785 -9.457 218 HA LYS 30 HA LYS 30 7.384 2.857 -9.420 219 HB2 LYS 30 2HB LYS 30 6.320 4.635 -11.092 220 HB3 LYS 30 1HB LYS 30 6.711 5.732 -9.774 221 HG2 LYS 30 2HG LYS 30 8.678 5.889 -10.835 222 HG3 LYS 30 1HG LYS 30 9.036 4.388 -9.980 223 HD2 LYS 30 2HD LYS 30 7.646 4.193 -12.599 224 HD3 LYS 30 1HD LYS 30 9.357 4.631 -12.606 225 HE2 LYS 30 2HE LYS 30 8.305 2.255 -11.090 226 HE3 LYS 30 1HE LYS 30 8.797 2.152 -12.780 227 HZ1 LYS 30 3HZ LYS 30 10.988 2.509 -12.258 228 HZ2 LYS 30 1HZ LYS 30 10.485 1.629 -10.904 229 HZ3 LYS 30 2HZ LYS 30 10.644 3.310 -10.809 230 H ASN 31 H ASN 31 5.641 5.646 -8.110 231 HA ASN 31 HA ASN 31 6.706 5.075 -5.455 232 HB2 ASN 31 2HB ASN 31 7.070 7.764 -6.793 233 HB3 ASN 31 1HB ASN 31 7.557 7.340 -5.154 234 HD21 ASN 31 1HD2 ASN 31 9.309 5.940 -4.850 235 HD22 ASN 31 2HD2 ASN 31 10.477 5.670 -6.094 236 H CYS 32 H CYS 32 5.702 6.442 -3.770 237 HA CYS 32 HA CYS 32 2.893 6.909 -4.431 238 HB2 CYS 32 2HB CYS 32 3.836 5.486 -2.424 239 HB3 CYS 32 1HB CYS 32 3.935 7.058 -1.637 240 H ALA 33 H ALA 33 5.630 8.522 -2.856 241 HA ALA 33 HA ALA 33 4.136 11.042 -2.860 242 HB1 ALA 33 1HB ALA 33 6.859 10.669 -1.663 243 HB2 ALA 33 2HB ALA 33 5.406 10.138 -0.816 244 HB3 ALA 33 3HB ALA 33 5.608 11.839 -1.238 Start of MODEL 17 1 H1 ALA 1 1HT ALA 1 -14.167 -2.622 -9.800 2 H2 ALA 1 2HT ALA 1 -14.223 -4.290 -10.202 3 H3 ALA 1 3HT ALA 1 -14.544 -3.781 -8.594 4 HA ALA 1 HA ALA 1 -16.182 -3.558 -10.995 5 HB1 ALA 1 2HB ALA 1 -16.507 -4.582 -8.197 6 HB2 ALA 1 3HB ALA 1 -16.745 -5.427 -9.727 7 HB3 ALA 1 1HB ALA 1 -17.908 -4.210 -9.202 8 H ASP 2 H ASP 2 -15.818 -2.184 -7.727 9 HA ASP 2 HA ASP 2 -17.284 0.191 -8.676 10 HB2 ASP 2 2HB ASP 2 -18.186 -1.454 -6.735 11 HB3 ASP 2 1HB ASP 2 -17.215 -0.352 -5.764 12 H ARG 3 H ARG 3 -16.688 2.221 -7.651 13 HA ARG 3 HA ARG 3 -13.994 2.254 -6.487 14 HB2 ARG 3 2HB ARG 3 -14.940 3.798 -8.893 15 HB3 ARG 3 1HB ARG 3 -13.573 4.333 -7.926 16 HG2 ARG 3 2HG ARG 3 -12.670 1.937 -8.339 17 HG3 ARG 3 1HG ARG 3 -13.827 1.926 -9.672 18 HD2 ARG 3 2HD ARG 3 -11.684 2.653 -10.493 19 HD3 ARG 3 1HD ARG 3 -12.806 4.013 -10.520 20 HE ARG 3 HE ARG 3 -11.566 4.291 -8.136 21 HH11 ARG 3 1HH1 ARG 3 -10.392 3.885 -11.397 22 HH12 ARG 3 2HH1 ARG 3 -8.939 4.785 -11.120 23 HH21 ARG 3 1HH2 ARG 3 -9.655 5.476 -7.769 24 HH22 ARG 3 2HH2 ARG 3 -8.521 5.688 -9.059 25 H GLY 4 H GLY 4 -13.523 4.093 -5.200 26 HA2 GLY 4 2HA GLY 4 -15.155 6.311 -4.815 27 HA3 GLY 4 1HA GLY 4 -15.737 5.067 -3.719 28 H TRP 5 H TRP 5 -13.146 3.896 -3.231 29 HA TRP 5 HA TRP 5 -12.119 5.933 -1.394 30 HB2 TRP 5 2HB TRP 5 -12.779 3.326 -0.938 31 HB3 TRP 5 1HB TRP 5 -11.045 3.193 -1.210 32 HD1 TRP 5 HD TRP 5 -9.434 4.177 0.640 33 HE1 TRP 5 1HE TRP 5 -9.829 5.017 3.041 34 HE3 TRP 5 3HE TRP 5 -14.529 4.586 0.531 35 HZ2 TRP 5 2HZ TRP 5 -12.011 5.755 4.673 36 HZ3 TRP 5 3HZ TRP 5 -15.694 5.366 2.553 37 HH2 TRP 5 HH TRP 5 -14.459 5.938 4.581 38 H ILE 6 H ILE 6 -9.667 5.659 -0.942 39 HA ILE 6 HA ILE 6 -8.321 5.860 -3.534 40 HB ILE 6 HB ILE 6 -7.208 6.636 -0.841 41 HG12 ILE 6 2HG1 ILE 6 -7.815 8.992 -2.075 42 HG13 ILE 6 1HG1 ILE 6 -9.168 7.986 -2.584 43 HG21 ILE 6 1HG2 ILE 6 -6.448 7.511 -3.624 44 HG22 ILE 6 2HG2 ILE 6 -5.595 6.292 -2.678 45 HG23 ILE 6 3HG2 ILE 6 -5.648 7.963 -2.119 46 HD11 ILE 6 3HD1 ILE 6 -8.396 8.067 0.292 47 HD12 ILE 6 1HD1 ILE 6 -9.967 7.748 -0.446 48 HD13 ILE 6 2HD1 ILE 6 -9.326 9.392 -0.409 49 H LYS 7 H LYS 7 -8.226 3.551 -3.846 50 HA LYS 7 HA LYS 7 -6.786 1.887 -2.019 51 HB2 LYS 7 2HB LYS 7 -7.713 1.487 -4.861 52 HB3 LYS 7 1HB LYS 7 -6.838 0.255 -3.964 53 HG2 LYS 7 2HG LYS 7 -9.127 1.327 -2.514 54 HG3 LYS 7 1HG LYS 7 -9.557 0.555 -4.041 55 HD2 LYS 7 2HD LYS 7 -8.092 -1.389 -3.278 56 HD3 LYS 7 1HD LYS 7 -8.120 -0.633 -1.683 57 HE2 LYS 7 2HE LYS 7 -10.581 -1.394 -3.249 58 HE3 LYS 7 1HE LYS 7 -9.846 -2.405 -2.005 59 HZ1 LYS 7 3HZ LYS 7 -11.044 0.287 -1.645 60 HZ2 LYS 7 1HZ LYS 7 -10.174 -0.524 -0.441 61 HZ3 LYS 7 2HZ LYS 7 -11.620 -1.179 -1.028 62 H DBB 8 H DBB 8 -4.661 1.621 -1.841 63 HA DBB 8 HA DBB 8 -2.896 1.822 -4.091 64 HB3 DBB 8 HB DBB 8 -2.414 0.181 -2.381 65 HG1 DBB 8 3HG2 DBB 8 -0.132 0.728 -1.712 66 HG2 DBB 8 1HG2 DBB 8 -0.396 2.414 -2.152 67 HG3 DBB 8 2HG2 DBB 8 -0.407 1.167 -3.398 68 H LEU 9 H LEU 9 -3.470 3.745 -1.163 69 HA LEU 9 HA LEU 9 -2.620 6.129 -2.525 70 HB2 LEU 9 2HB LEU 9 -3.327 7.307 -0.557 71 HB3 LEU 9 1HB LEU 9 -4.536 6.112 -0.981 72 HG LEU 9 HG LEU 9 -2.757 4.881 0.854 73 HD11 LEU 9 1HD1 LEU 9 -2.393 7.464 1.302 74 HD12 LEU 9 2HD1 LEU 9 -2.490 6.297 2.620 75 HD13 LEU 9 3HD1 LEU 9 -3.899 7.270 2.198 76 HD21 LEU 9 3HD2 LEU 9 -4.942 4.117 0.838 77 HD22 LEU 9 1HD2 LEU 9 -5.621 5.745 0.840 78 HD23 LEU 9 2HD2 LEU 9 -4.902 5.089 2.309 79 H DBB 10 H DBB 10 -1.279 3.967 -0.124 80 HA DBB 10 HA DBB 10 0.844 5.749 0.610 81 HB3 DBB 10 HB DBB 10 1.322 4.799 -1.771 82 HG1 DBB 10 3HG2 DBB 10 3.789 4.562 -1.198 83 HG2 DBB 10 1HG2 DBB 10 3.317 4.881 0.472 84 HG3 DBB 10 2HG2 DBB 10 3.009 6.086 -0.777 85 H LYS 11 H LYS 11 1.345 5.309 2.620 86 HA LYS 11 HA LYS 11 2.078 2.814 3.632 87 HB2 LYS 11 2HB LYS 11 1.197 5.357 4.978 88 HB3 LYS 11 1HB LYS 11 1.680 3.938 5.895 89 HG2 LYS 11 2HG LYS 11 3.862 4.244 5.469 90 HG3 LYS 11 1HG LYS 11 3.572 4.766 3.809 91 HD2 LYS 11 2HD LYS 11 2.523 6.850 5.188 92 HD3 LYS 11 1HD LYS 11 3.815 6.348 6.282 93 HE2 LYS 11 2HE LYS 11 5.197 7.541 5.004 94 HE3 LYS 11 1HE LYS 11 4.998 6.288 3.778 95 HZ1 LYS 11 3HZ LYS 11 3.625 7.578 2.551 96 HZ2 LYS 11 1HZ LYS 11 4.482 8.825 3.309 97 HZ3 LYS 11 2HZ LYS 11 2.960 8.371 3.889 98 H ASP 12 H ASP 12 -1.050 4.041 3.019 99 HA ASP 12 HA ASP 12 -2.351 2.368 5.000 100 HB2 ASP 12 2HB ASP 12 -3.193 4.500 3.120 101 HB3 ASP 12 1HB ASP 12 -4.401 3.280 3.515 102 H CYS 13 H CYS 13 -0.747 1.146 2.815 103 HA CYS 13 HA CYS 13 -2.859 -0.593 1.742 104 HB2 CYS 13 2HB CYS 13 -0.386 0.279 0.235 105 HB3 CYS 13 1HB CYS 13 -1.650 -0.789 -0.365 106 HA PRO 14 HA PRO 14 0.440 -2.978 4.050 107 HB2 PRO 14 2HB PRO 14 -1.874 -4.329 5.247 108 HB3 PRO 14 1HB PRO 14 -0.499 -3.554 6.037 109 HG2 PRO 14 2HG PRO 14 -2.970 -2.486 6.100 110 HG3 PRO 14 1HG PRO 14 -1.509 -1.483 6.058 111 HD2 PRO 14 2HD PRO 14 -3.388 -2.191 3.835 112 HD3 PRO 14 1HD PRO 14 -2.612 -0.637 4.203 113 H ASN 15 H ASN 15 -2.295 -3.719 2.101 114 HA ASN 15 HA ASN 15 -1.033 -5.777 0.696 115 HB2 ASN 15 2HB ASN 15 -1.697 -6.787 3.091 116 HB3 ASN 15 1HB ASN 15 -3.223 -7.049 2.252 117 HD21 ASN 15 1HD2 ASN 15 -1.687 -9.136 3.188 118 HD22 ASN 15 2HD2 ASN 15 -1.058 -10.024 1.848 119 H VAL 16 H VAL 16 -4.086 -4.428 1.811 120 HA VAL 16 HA VAL 16 -5.932 -3.737 0.665 121 HB VAL 16 HB VAL 16 -4.544 -4.544 -1.887 122 HG11 VAL 16 1HG1 VAL 16 -6.699 -4.066 -2.501 123 HG12 VAL 16 2HG1 VAL 16 -5.976 -2.460 -2.602 124 HG13 VAL 16 3HG1 VAL 16 -6.932 -2.909 -1.190 125 HG21 VAL 16 3HG2 VAL 16 -3.831 -2.149 -2.000 126 HG22 VAL 16 1HG2 VAL 16 -3.024 -3.093 -0.749 127 HG23 VAL 16 2HG2 VAL 16 -4.324 -1.983 -0.315 128 H ILE 17 H ILE 17 -7.786 -4.602 -0.503 129 HA ILE 17 HA ILE 17 -7.752 -7.547 -0.623 130 HB ILE 17 HB ILE 17 -10.373 -6.302 -0.149 131 HG12 ILE 17 2HG1 ILE 17 -9.703 -6.235 2.405 132 HG13 ILE 17 1HG1 ILE 17 -8.098 -5.910 1.758 133 HG21 ILE 17 1HG2 ILE 17 -10.659 -8.481 0.229 134 HG22 ILE 17 2HG2 ILE 17 -9.899 -8.191 1.795 135 HG23 ILE 17 3HG2 ILE 17 -8.929 -8.760 0.435 136 HD11 ILE 17 3HD1 ILE 17 -9.911 -4.011 2.334 137 HD12 ILE 17 1HD1 ILE 17 -10.269 -4.282 0.629 138 HD13 ILE 17 2HD1 ILE 17 -8.640 -3.823 1.126 139 H SER 18 H SER 18 -10.409 -7.782 -1.625 140 HA SER 18 HA SER 18 -11.574 -7.843 -3.571 141 HB2 SER 18 2HB SER 18 -10.181 -5.193 -3.986 142 HB3 SER 18 1HB SER 18 -11.384 -5.838 -5.102 143 HG SER 18 HG SER 18 -11.697 -4.800 -2.544 144 H SER 19 H SER 19 -8.774 -6.188 -4.969 145 HA SER 19 HA SER 19 -7.366 -8.435 -5.840 146 HB2 SER 19 2HB SER 19 -8.009 -8.384 -8.273 147 HB3 SER 19 1HB SER 19 -9.242 -9.039 -7.198 148 HG SER 19 HG SER 19 -9.198 -6.621 -8.605 149 H ILE 20 H ILE 20 -5.898 -6.788 -5.048 150 HA ILE 20 HA ILE 20 -4.277 -5.232 -5.326 151 HB ILE 20 HB ILE 20 -4.491 -6.600 -7.793 152 HG12 ILE 20 2HG1 ILE 20 -2.302 -4.915 -6.569 153 HG13 ILE 20 1HG1 ILE 20 -2.546 -6.647 -6.367 154 HG21 ILE 20 1HG2 ILE 20 -3.898 -5.051 -9.470 155 HG22 ILE 20 2HG2 ILE 20 -3.708 -3.746 -8.302 156 HG23 ILE 20 3HG2 ILE 20 -5.315 -4.375 -8.669 157 HD11 ILE 20 3HD1 ILE 20 -2.212 -6.797 -8.897 158 HD12 ILE 20 1HD1 ILE 20 -0.799 -6.480 -7.891 159 HD13 ILE 20 2HD1 ILE 20 -1.568 -5.159 -8.772 160 H CYS 21 H CYS 21 -3.922 -3.013 -5.680 161 HA CYS 21 HA CYS 21 -6.084 -1.361 -5.383 162 HB2 CYS 21 2HB CYS 21 -4.610 0.488 -5.619 163 HB3 CYS 21 1HB CYS 21 -3.694 -0.801 -4.866 164 H ALA 22 H ALA 22 -4.343 -2.070 -8.363 165 HA ALA 22 HA ALA 22 -6.572 -1.888 -10.023 166 HB1 ALA 22 1HB ALA 22 -6.754 0.239 -10.729 167 HB2 ALA 22 2HB ALA 22 -5.011 0.506 -10.699 168 HB3 ALA 22 3HB ALA 22 -5.946 0.621 -9.208 169 H GLY 23 H GLY 23 -5.878 -3.444 -11.346 170 HA2 GLY 23 2HA GLY 23 -4.528 -4.658 -12.759 171 HA3 GLY 23 1HA GLY 23 -4.156 -3.080 -13.432 172 H THR 24 H THR 24 -2.047 -2.943 -13.732 173 HA THR 24 HA THR 24 -0.259 -3.280 -11.486 174 HB THR 24 HB THR 24 -0.250 -5.541 -12.296 175 HG1 THR 24 1HG THR 24 1.850 -5.674 -12.326 176 HG21 THR 24 3HG2 THR 24 0.405 -4.448 -15.021 177 HG22 THR 24 1HG2 THR 24 -1.118 -5.199 -14.545 178 HG23 THR 24 2HG2 THR 24 0.368 -6.151 -14.561 179 H ILE 25 H ILE 25 -1.200 -1.161 -13.341 180 HA ILE 25 HA ILE 25 1.366 -0.417 -14.579 181 HB ILE 25 HB ILE 25 0.091 1.187 -15.938 182 HG12 ILE 25 2HG1 ILE 25 -2.547 0.249 -15.706 183 HG13 ILE 25 1HG1 ILE 25 -2.000 0.517 -14.055 184 HG21 ILE 25 1HG2 ILE 25 0.366 -0.672 -17.203 185 HG22 ILE 25 2HG2 ILE 25 -1.391 -0.720 -17.070 186 HG23 ILE 25 3HG2 ILE 25 -0.400 -1.728 -16.017 187 HD11 ILE 25 3HD1 ILE 25 -1.417 2.654 -16.002 188 HD12 ILE 25 1HD1 ILE 25 -1.900 2.755 -14.310 189 HD13 ILE 25 2HD1 ILE 25 -3.106 2.419 -15.552 190 H ILE 26 H ILE 26 2.369 1.465 -14.034 191 HA ILE 26 HA ILE 26 2.880 3.372 -12.895 192 HB ILE 26 HB ILE 26 -0.015 3.559 -12.074 193 HG12 ILE 26 2HG1 ILE 26 0.149 3.295 -14.522 194 HG13 ILE 26 1HG1 ILE 26 -0.388 4.912 -14.076 195 HG21 ILE 26 1HG2 ILE 26 1.608 5.949 -12.659 196 HG22 ILE 26 2HG2 ILE 26 2.067 5.032 -11.224 197 HG23 ILE 26 3HG2 ILE 26 0.427 5.660 -11.382 198 HD11 ILE 26 3HD1 ILE 26 1.391 5.882 -15.007 199 HD12 ILE 26 1HD1 ILE 26 1.582 4.347 -15.856 200 HD13 ILE 26 2HD1 ILE 26 2.505 4.662 -14.386 201 H THR 27 H THR 27 0.268 1.880 -10.968 202 HA THR 27 HA THR 27 1.977 2.049 -8.606 203 HB THR 27 HB THR 27 -0.746 0.932 -8.345 204 HG1 THR 27 1HG THR 27 -0.287 3.589 -9.206 205 HG21 THR 27 3HG2 THR 27 -0.902 2.508 -6.498 206 HG22 THR 27 1HG2 THR 27 0.669 3.181 -6.934 207 HG23 THR 27 2HG2 THR 27 0.549 1.512 -6.375 208 H ALA 28 H ALA 28 1.841 0.160 -7.060 209 HA ALA 28 HA ALA 28 1.979 -2.377 -8.558 210 HB1 ALA 28 1HB ALA 28 3.770 -3.083 -7.049 211 HB2 ALA 28 2HB ALA 28 3.705 -1.520 -6.237 212 HB3 ALA 28 3HB ALA 28 4.206 -1.616 -7.924 213 H CYS 29 H CYS 29 0.781 -0.694 -5.792 214 HA CYS 29 HA CYS 29 -0.477 -1.298 -4.003 215 HB2 CYS 29 2HB CYS 29 -1.859 -3.546 -5.180 216 HB3 CYS 29 1HB CYS 29 -2.464 -1.961 -4.747 217 H LYS 30 H LYS 30 2.105 -2.689 -4.306 218 HA LYS 30 HA LYS 30 1.486 -5.183 -2.875 219 HB2 LYS 30 2HB LYS 30 3.150 -4.753 -5.068 220 HB3 LYS 30 1HB LYS 30 4.257 -4.902 -3.710 221 HG2 LYS 30 2HG LYS 30 3.042 -7.029 -3.109 222 HG3 LYS 30 1HG LYS 30 2.229 -6.899 -4.669 223 HD2 LYS 30 2HD LYS 30 5.109 -6.571 -4.893 224 HD3 LYS 30 1HD LYS 30 4.665 -8.122 -4.178 225 HE2 LYS 30 2HE LYS 30 2.935 -8.164 -6.161 226 HE3 LYS 30 1HE LYS 30 4.076 -7.037 -6.892 227 HZ1 LYS 30 3HZ LYS 30 5.045 -8.925 -7.587 228 HZ2 LYS 30 1HZ LYS 30 4.354 -9.876 -6.370 229 HZ3 LYS 30 2HZ LYS 30 5.728 -8.944 -6.040 230 H ASN 31 H ASN 31 3.339 -2.225 -2.816 231 HA ASN 31 HA ASN 31 3.519 -2.308 0.046 232 HB2 ASN 31 2HB ASN 31 5.984 -2.680 -1.645 233 HB3 ASN 31 1HB ASN 31 6.068 -1.987 -0.029 234 HD21 ASN 31 1HD2 ASN 31 6.871 -4.622 -1.413 235 HD22 ASN 31 2HD2 ASN 31 6.358 -5.825 -0.284 236 H CYS 32 H CYS 32 4.410 -0.313 0.934 237 HA CYS 32 HA CYS 32 4.657 1.887 -0.978 238 HB2 CYS 32 2HB CYS 32 2.468 1.495 0.961 239 HB3 CYS 32 1HB CYS 32 3.176 3.105 0.948 240 H ALA 33 H ALA 33 4.833 0.899 2.426 241 HA ALA 33 HA ALA 33 7.409 2.147 2.700 242 HB1 ALA 33 1HB ALA 33 6.744 3.614 4.587 243 HB2 ALA 33 2HB ALA 33 5.056 3.265 4.216 244 HB3 ALA 33 3HB ALA 33 6.062 4.109 3.038 Start of MODEL 18 1 H1 ALA 1 1HT ALA 1 -16.311 -3.154 -5.839 2 H2 ALA 1 2HT ALA 1 -15.899 -1.777 -4.901 3 H3 ALA 1 3HT ALA 1 -17.431 -1.866 -5.670 4 HA ALA 1 HA ALA 1 -18.179 -3.509 -4.274 5 HB1 ALA 1 2HB ALA 1 -15.994 -4.763 -4.351 6 HB2 ALA 1 3HB ALA 1 -16.828 -4.775 -2.797 7 HB3 ALA 1 1HB ALA 1 -15.441 -3.715 -3.044 8 H ASP 2 H ASP 2 -18.448 -3.409 -1.807 9 HA ASP 2 HA ASP 2 -18.376 -0.580 -1.049 10 HB2 ASP 2 2HB ASP 2 -20.018 -2.923 -0.092 11 HB3 ASP 2 1HB ASP 2 -19.982 -1.389 0.774 12 H ARG 3 H ARG 3 -15.971 -2.096 -0.902 13 HA ARG 3 HA ARG 3 -15.547 -2.107 2.014 14 HB2 ARG 3 2HB ARG 3 -15.249 -4.269 0.271 15 HB3 ARG 3 1HB ARG 3 -13.609 -3.706 0.561 16 HG2 ARG 3 2HG ARG 3 -13.736 -4.125 2.844 17 HG3 ARG 3 1HG ARG 3 -15.500 -4.168 2.835 18 HD2 ARG 3 2HD ARG 3 -14.785 -6.179 1.077 19 HD3 ARG 3 1HD ARG 3 -13.578 -6.297 2.357 20 HE ARG 3 HE ARG 3 -16.323 -7.020 2.528 21 HH11 ARG 3 1HH1 ARG 3 -13.670 -5.723 4.387 22 HH12 ARG 3 2HH1 ARG 3 -14.294 -6.283 5.902 23 HH21 ARG 3 1HH2 ARG 3 -17.144 -7.758 4.519 24 HH22 ARG 3 2HH2 ARG 3 -16.266 -7.440 5.977 25 H GLY 4 H GLY 4 -15.270 0.173 0.379 26 HA2 GLY 4 2HA GLY 4 -13.794 1.904 0.065 27 HA3 GLY 4 1HA GLY 4 -12.692 1.042 1.128 28 H TRP 5 H TRP 5 -12.718 2.449 -1.715 29 HA TRP 5 HA TRP 5 -11.827 0.540 -3.566 30 HB2 TRP 5 2HB TRP 5 -12.527 2.986 -3.962 31 HB3 TRP 5 1HB TRP 5 -10.866 3.395 -3.547 32 HD1 TRP 5 HD TRP 5 -9.116 1.491 -5.095 33 HE1 TRP 5 1HE TRP 5 -9.149 1.330 -7.664 34 HE3 TRP 5 3HE TRP 5 -13.748 3.469 -5.975 35 HZ2 TRP 5 2HZ TRP 5 -10.906 1.958 -9.783 36 HZ3 TRP 5 3HZ TRP 5 -14.530 3.654 -8.301 37 HH2 TRP 5 HH TRP 5 -13.137 2.914 -10.164 38 H ILE 6 H ILE 6 -9.740 3.001 -2.037 39 HA ILE 6 HA ILE 6 -7.495 2.982 -1.594 40 HB ILE 6 HB ILE 6 -8.044 0.202 -0.562 41 HG12 ILE 6 2HG1 ILE 6 -8.380 2.788 0.961 42 HG13 ILE 6 1HG1 ILE 6 -9.721 1.954 0.184 43 HG21 ILE 6 1HG2 ILE 6 -6.128 0.371 0.648 44 HG22 ILE 6 2HG2 ILE 6 -6.245 2.125 0.797 45 HG23 ILE 6 3HG2 ILE 6 -5.678 1.403 -0.709 46 HD11 ILE 6 3HD1 ILE 6 -8.131 1.175 2.573 47 HD12 ILE 6 1HD1 ILE 6 -8.884 -0.079 1.587 48 HD13 ILE 6 2HD1 ILE 6 -9.878 1.176 2.328 49 H LYS 7 H LYS 7 -6.593 2.989 -3.656 50 HA LYS 7 HA LYS 7 -5.726 0.360 -4.665 51 HB2 LYS 7 2HB LYS 7 -5.650 1.360 -6.902 52 HB3 LYS 7 1HB LYS 7 -7.260 1.474 -6.206 53 HG2 LYS 7 2HG LYS 7 -6.826 3.812 -5.608 54 HG3 LYS 7 1HG LYS 7 -5.227 3.691 -6.345 55 HD2 LYS 7 2HD LYS 7 -6.330 3.108 -8.497 56 HD3 LYS 7 1HD LYS 7 -7.892 3.401 -7.730 57 HE2 LYS 7 2HE LYS 7 -7.005 5.716 -7.167 58 HE3 LYS 7 1HE LYS 7 -5.688 5.370 -8.287 59 HZ1 LYS 7 3HZ LYS 7 -7.771 4.742 -9.799 60 HZ2 LYS 7 1HZ LYS 7 -7.111 6.299 -9.744 61 HZ3 LYS 7 2HZ LYS 7 -8.488 5.931 -8.833 62 H DBB 8 H DBB 8 -4.197 1.412 -2.705 63 HA DBB 8 HA DBB 8 -1.733 1.969 -4.132 64 HB3 DBB 8 HB DBB 8 -1.809 0.237 -2.359 65 HG1 DBB 8 3HG2 DBB 8 0.195 0.812 -1.185 66 HG2 DBB 8 1HG2 DBB 8 -0.049 2.530 -1.501 67 HG3 DBB 8 2HG2 DBB 8 0.333 1.435 -2.828 68 H LEU 9 H LEU 9 -3.681 3.476 -1.567 69 HA LEU 9 HA LEU 9 -2.947 6.089 -2.457 70 HB2 LEU 9 2HB LEU 9 -4.545 6.900 -0.995 71 HB3 LEU 9 1HB LEU 9 -5.164 5.317 -1.423 72 HG LEU 9 HG LEU 9 -3.814 6.103 1.158 73 HD11 LEU 9 1HD1 LEU 9 -6.481 4.823 1.016 74 HD12 LEU 9 2HD1 LEU 9 -6.360 6.508 0.512 75 HD13 LEU 9 3HD1 LEU 9 -5.860 6.036 2.135 76 HD21 LEU 9 3HD2 LEU 9 -3.038 3.905 0.613 77 HD22 LEU 9 1HD2 LEU 9 -4.663 3.387 0.164 78 HD23 LEU 9 2HD2 LEU 9 -4.287 3.754 1.847 79 H DBB 10 H DBB 10 -1.021 4.058 -0.871 80 HA DBB 10 HA DBB 10 -0.050 6.033 1.058 81 HB3 DBB 10 HB DBB 10 1.197 6.323 -1.052 82 HG1 DBB 10 3HG2 DBB 10 3.002 5.021 0.980 83 HG2 DBB 10 1HG2 DBB 10 2.377 6.661 1.148 84 HG3 DBB 10 2HG2 DBB 10 3.420 6.252 -0.212 85 H LYS 11 H LYS 11 1.696 5.118 2.464 86 HA LYS 11 HA LYS 11 2.231 2.420 2.785 87 HB2 LYS 11 2HB LYS 11 2.142 4.663 4.797 88 HB3 LYS 11 1HB LYS 11 2.691 3.043 5.206 89 HG2 LYS 11 2HG LYS 11 4.414 3.247 3.422 90 HG3 LYS 11 1HG LYS 11 3.918 4.925 3.204 91 HD2 LYS 11 2HD LYS 11 4.710 5.562 5.294 92 HD3 LYS 11 1HD LYS 11 4.688 3.910 5.914 93 HE2 LYS 11 2HE LYS 11 6.654 3.340 4.829 94 HE3 LYS 11 1HE LYS 11 6.493 4.634 3.642 95 HZ1 LYS 11 3HZ LYS 11 8.159 4.771 5.679 96 HZ2 LYS 11 1HZ LYS 11 6.794 5.432 6.430 97 HZ3 LYS 11 2HZ LYS 11 7.417 6.143 5.027 98 H ASP 12 H ASP 12 -0.706 4.061 3.371 99 HA ASP 12 HA ASP 12 -1.702 2.250 5.372 100 HB2 ASP 12 2HB ASP 12 -2.528 4.748 4.188 101 HB3 ASP 12 1HB ASP 12 -3.869 3.607 4.196 102 H CYS 13 H CYS 13 -0.793 1.115 2.778 103 HA CYS 13 HA CYS 13 -3.320 -0.029 1.806 104 HB2 CYS 13 2HB CYS 13 -0.609 0.241 0.507 105 HB3 CYS 13 1HB CYS 13 -1.884 -0.771 -0.157 106 HA PRO 14 HA PRO 14 -1.509 -3.383 4.497 107 HB2 PRO 14 2HB PRO 14 -4.300 -4.292 3.981 108 HB3 PRO 14 1HB PRO 14 -3.368 -4.323 5.483 109 HG2 PRO 14 2HG PRO 14 -5.269 -2.494 5.087 110 HG3 PRO 14 1HG PRO 14 -3.764 -2.087 5.931 111 HD2 PRO 14 2HD PRO 14 -4.635 -1.395 3.171 112 HD3 PRO 14 1HD PRO 14 -3.609 -0.487 4.298 113 H ASN 15 H ASN 15 -3.237 -3.367 1.485 114 HA ASN 15 HA ASN 15 -1.512 -5.278 0.298 115 HB2 ASN 15 2HB ASN 15 -4.211 -6.170 1.225 116 HB3 ASN 15 1HB ASN 15 -3.584 -6.797 -0.296 117 HD21 ASN 15 1HD2 ASN 15 -4.142 -8.246 2.123 118 HD22 ASN 15 2HD2 ASN 15 -2.653 -8.962 2.631 119 H VAL 16 H VAL 16 -1.456 -4.928 -1.833 120 HA VAL 16 HA VAL 16 -3.324 -3.011 -2.946 121 HB VAL 16 HB VAL 16 -0.698 -3.069 -3.177 122 HG11 VAL 16 1HG1 VAL 16 -1.253 -4.361 -5.788 123 HG12 VAL 16 2HG1 VAL 16 -1.054 -5.399 -4.376 124 HG13 VAL 16 3HG1 VAL 16 0.238 -4.294 -4.848 125 HG21 VAL 16 3HG2 VAL 16 -2.720 -1.700 -4.397 126 HG22 VAL 16 1HG2 VAL 16 -1.839 -2.365 -5.773 127 HG23 VAL 16 2HG2 VAL 16 -0.999 -1.362 -4.590 128 H ILE 17 H ILE 17 -3.514 -3.547 -5.527 129 HA ILE 17 HA ILE 17 -4.814 -6.175 -5.650 130 HB ILE 17 HB ILE 17 -6.246 -5.179 -7.420 131 HG12 ILE 17 2HG1 ILE 17 -5.530 -2.435 -6.566 132 HG13 ILE 17 1HG1 ILE 17 -4.383 -3.244 -7.628 133 HG21 ILE 17 1HG2 ILE 17 -6.235 -4.348 -4.597 134 HG22 ILE 17 2HG2 ILE 17 -7.476 -5.181 -5.533 135 HG23 ILE 17 3HG2 ILE 17 -7.293 -3.432 -5.670 136 HD11 ILE 17 3HD1 ILE 17 -6.156 -3.604 -9.265 137 HD12 ILE 17 1HD1 ILE 17 -5.957 -1.893 -8.888 138 HD13 ILE 17 2HD1 ILE 17 -7.304 -2.798 -8.197 139 H SER 18 H SER 18 -5.220 -6.355 -8.346 140 HA SER 18 HA SER 18 -2.808 -7.376 -9.294 141 HB2 SER 18 2HB SER 18 -5.235 -7.824 -10.090 142 HB3 SER 18 1HB SER 18 -4.977 -6.445 -11.157 143 HG SER 18 HG SER 18 -4.325 -8.863 -11.686 144 H SER 19 H SER 19 -4.057 -4.153 -9.375 145 HA SER 19 HA SER 19 -2.684 -3.098 -11.564 146 HB2 SER 19 2HB SER 19 -3.054 -0.926 -10.566 147 HB3 SER 19 1HB SER 19 -4.476 -1.928 -10.272 148 HG SER 19 HG SER 19 -4.098 -1.190 -8.303 149 H ILE 20 H ILE 20 -1.523 -4.061 -8.449 150 HA ILE 20 HA ILE 20 1.186 -3.401 -9.256 151 HB ILE 20 HB ILE 20 0.533 -2.648 -6.454 152 HG12 ILE 20 2HG1 ILE 20 -0.066 -0.844 -8.812 153 HG13 ILE 20 1HG1 ILE 20 -1.259 -1.533 -7.714 154 HG21 ILE 20 1HG2 ILE 20 2.637 -2.220 -8.417 155 HG22 ILE 20 2HG2 ILE 20 2.698 -2.156 -6.656 156 HG23 ILE 20 3HG2 ILE 20 2.175 -0.743 -7.571 157 HD11 ILE 20 3HD1 ILE 20 -0.293 0.934 -7.452 158 HD12 ILE 20 1HD1 ILE 20 0.903 0.064 -6.491 159 HD13 ILE 20 2HD1 ILE 20 -0.809 -0.045 -6.077 160 H CYS 21 H CYS 21 2.707 -4.183 -7.365 161 HA CYS 21 HA CYS 21 2.248 -6.962 -7.081 162 HB2 CYS 21 2HB CYS 21 4.310 -5.221 -5.722 163 HB3 CYS 21 1HB CYS 21 4.338 -6.980 -5.785 164 H ALA 22 H ALA 22 3.079 -4.856 -4.385 165 HA ALA 22 HA ALA 22 0.795 -4.934 -2.874 166 HB1 ALA 22 1HB ALA 22 1.562 -6.842 -1.242 167 HB2 ALA 22 2HB ALA 22 2.342 -7.475 -2.691 168 HB3 ALA 22 3HB ALA 22 0.599 -7.214 -2.673 169 H GLY 23 H GLY 23 2.983 -3.242 -3.265 170 HA2 GLY 23 2HA GLY 23 4.255 -1.776 -2.036 171 HA3 GLY 23 1HA GLY 23 3.563 -2.496 -0.590 172 H THR 24 H THR 24 6.111 -2.817 -3.004 173 HA THR 24 HA THR 24 7.783 -4.090 -0.962 174 HB THR 24 HB THR 24 6.918 -5.911 -2.343 175 HG1 THR 24 1HG THR 24 9.604 -5.410 -3.081 176 HG21 THR 24 3HG2 THR 24 8.178 -4.490 -4.677 177 HG22 THR 24 1HG2 THR 24 6.449 -4.718 -4.408 178 HG23 THR 24 2HG2 THR 24 7.488 -6.113 -4.695 179 H ILE 25 H ILE 25 10.118 -4.082 -1.593 180 HA ILE 25 HA ILE 25 10.748 -1.517 -2.859 181 HB ILE 25 HB ILE 25 12.664 -3.280 -1.344 182 HG12 ILE 25 2HG1 ILE 25 11.055 -0.992 -0.198 183 HG13 ILE 25 1HG1 ILE 25 10.622 -2.685 0.015 184 HG21 ILE 25 1HG2 ILE 25 12.968 -0.379 -1.242 185 HG22 ILE 25 2HG2 ILE 25 13.099 -1.048 -2.869 186 HG23 ILE 25 3HG2 ILE 25 14.157 -1.635 -1.586 187 HD11 ILE 25 3HD1 ILE 25 11.819 -1.734 1.942 188 HD12 ILE 25 1HD1 ILE 25 13.218 -1.455 0.905 189 HD13 ILE 25 2HD1 ILE 25 12.664 -3.101 1.214 190 H ILE 26 H ILE 26 10.060 -3.874 -4.442 191 HA ILE 26 HA ILE 26 12.465 -3.946 -6.094 192 HB ILE 26 HB ILE 26 12.515 -5.993 -4.711 193 HG12 ILE 26 2HG1 ILE 26 11.825 -6.810 -7.520 194 HG13 ILE 26 1HG1 ILE 26 13.248 -5.827 -7.195 195 HG21 ILE 26 1HG2 ILE 26 10.772 -7.367 -4.407 196 HG22 ILE 26 2HG2 ILE 26 10.279 -7.276 -6.097 197 HG23 ILE 26 3HG2 ILE 26 9.804 -6.004 -4.971 198 HD11 ILE 26 3HD1 ILE 26 14.021 -8.028 -7.262 199 HD12 ILE 26 1HD1 ILE 26 12.668 -8.626 -6.302 200 HD13 ILE 26 2HD1 ILE 26 13.919 -7.640 -5.545 201 H THR 27 H THR 27 12.037 -4.649 -8.298 202 HA THR 27 HA THR 27 10.887 -4.597 -10.253 203 HB THR 27 HB THR 27 8.516 -5.251 -8.495 204 HG1 THR 27 1HG THR 27 9.245 -7.205 -8.508 205 HG21 THR 27 3HG2 THR 27 8.858 -5.572 -11.465 206 HG22 THR 27 1HG2 THR 27 7.733 -4.491 -10.646 207 HG23 THR 27 2HG2 THR 27 7.532 -6.237 -10.511 208 H ALA 28 H ALA 28 9.260 -3.352 -11.474 209 HA ALA 28 HA ALA 28 9.415 -0.652 -11.044 210 HB1 ALA 28 1HB ALA 28 7.434 -2.291 -12.583 211 HB2 ALA 28 2HB ALA 28 8.783 -1.328 -13.184 212 HB3 ALA 28 3HB ALA 28 7.345 -0.530 -12.546 213 H CYS 29 H CYS 29 7.171 -2.896 -9.617 214 HA CYS 29 HA CYS 29 5.249 -0.973 -8.776 215 HB2 CYS 29 2HB CYS 29 4.472 -2.803 -7.252 216 HB3 CYS 29 1HB CYS 29 4.582 -3.275 -8.943 217 H LYS 30 H LYS 30 7.140 0.493 -8.061 218 HA LYS 30 HA LYS 30 7.803 -0.048 -5.246 219 HB2 LYS 30 2HB LYS 30 9.164 1.916 -7.091 220 HB3 LYS 30 1HB LYS 30 9.698 1.417 -5.492 221 HG2 LYS 30 2HG LYS 30 9.738 -0.962 -6.578 222 HG3 LYS 30 1HG LYS 30 9.842 -0.043 -8.080 223 HD2 LYS 30 2HD LYS 30 11.758 1.226 -6.980 224 HD3 LYS 30 1HD LYS 30 11.746 -0.042 -5.753 225 HE2 LYS 30 2HE LYS 30 12.449 -1.666 -7.238 226 HE3 LYS 30 1HE LYS 30 11.855 -0.784 -8.643 227 HZ1 LYS 30 3HZ LYS 30 14.146 -0.552 -8.759 228 HZ2 LYS 30 1HZ LYS 30 14.324 -0.331 -7.091 229 HZ3 LYS 30 2HZ LYS 30 13.662 0.901 -8.041 230 H ASN 31 H ASN 31 6.373 2.229 -7.462 231 HA ASN 31 HA ASN 31 6.099 4.366 -5.595 232 HB2 ASN 31 2HB ASN 31 4.456 5.253 -7.298 233 HB3 ASN 31 1HB ASN 31 6.074 4.929 -7.914 234 HD21 ASN 31 1HD2 ASN 31 4.641 5.052 -9.911 235 HD22 ASN 31 2HD2 ASN 31 4.018 3.548 -10.489 236 H CYS 32 H CYS 32 3.952 5.238 -4.943 237 HA CYS 32 HA CYS 32 2.342 3.070 -3.838 238 HB2 CYS 32 2HB CYS 32 3.192 5.580 -2.864 239 HB3 CYS 32 1HB CYS 32 1.445 5.691 -3.033 240 H ALA 33 H ALA 33 1.849 6.122 -5.606 241 HA ALA 33 HA ALA 33 -0.918 5.636 -6.085 242 HB1 ALA 33 1HB ALA 33 -0.326 7.476 -7.943 243 HB2 ALA 33 2HB ALA 33 1.063 7.679 -6.877 244 HB3 ALA 33 3HB ALA 33 -0.571 7.866 -6.241 Start of MODEL 19 1 H1 ALA 1 1HT ALA 1 -10.935 15.253 -6.661 2 H2 ALA 1 2HT ALA 1 -12.166 14.630 -5.637 3 H3 ALA 1 3HT ALA 1 -10.657 13.821 -5.762 4 HA ALA 1 HA ALA 1 -9.676 15.990 -4.957 5 HB1 ALA 1 2HB ALA 1 -12.201 16.884 -5.176 6 HB2 ALA 1 3HB ALA 1 -11.017 17.567 -4.060 7 HB3 ALA 1 1HB ALA 1 -12.197 16.389 -3.483 8 H ASP 2 H ASP 2 -12.299 14.146 -3.386 9 HA ASP 2 HA ASP 2 -10.697 13.669 -1.049 10 HB2 ASP 2 2HB ASP 2 -13.324 12.381 -1.814 11 HB3 ASP 2 1HB ASP 2 -12.608 12.449 -0.206 12 H ARG 3 H ARG 3 -10.504 11.376 -0.197 13 HA ARG 3 HA ARG 3 -9.422 9.697 -2.346 14 HB2 ARG 3 2HB ARG 3 -8.262 8.518 -0.421 15 HB3 ARG 3 1HB ARG 3 -7.750 10.169 -0.741 16 HG2 ARG 3 2HG ARG 3 -9.925 9.971 1.198 17 HG3 ARG 3 1HG ARG 3 -8.439 9.164 1.701 18 HD2 ARG 3 2HD ARG 3 -8.699 12.033 0.802 19 HD3 ARG 3 1HD ARG 3 -8.471 11.479 2.460 20 HE ARG 3 HE ARG 3 -6.458 11.779 0.452 21 HH11 ARG 3 1HH1 ARG 3 -7.345 9.973 3.304 22 HH12 ARG 3 2HH1 ARG 3 -5.710 9.578 3.715 23 HH21 ARG 3 1HH2 ARG 3 -4.307 11.257 0.990 24 HH22 ARG 3 2HH2 ARG 3 -3.986 10.307 2.403 25 H GLY 4 H GLY 4 -10.555 7.989 -2.974 26 HA2 GLY 4 2HA GLY 4 -12.882 7.114 -1.557 27 HA3 GLY 4 1HA GLY 4 -12.215 6.388 -3.012 28 H TRP 5 H TRP 5 -12.099 4.273 -2.555 29 HA TRP 5 HA TRP 5 -11.413 3.282 0.040 30 HB2 TRP 5 2HB TRP 5 -11.414 1.053 -1.111 31 HB3 TRP 5 1HB TRP 5 -12.901 1.971 -1.323 32 HD1 TRP 5 HD TRP 5 -9.576 1.913 -3.347 33 HE1 TRP 5 1HE TRP 5 -10.180 1.635 -5.834 34 HE3 TRP 5 3HE TRP 5 -14.662 1.605 -2.919 35 HZ2 TRP 5 2HZ TRP 5 -12.505 1.325 -7.405 36 HZ3 TRP 5 3HZ TRP 5 -16.003 1.318 -4.963 37 HH2 TRP 5 HH TRP 5 -14.945 1.180 -7.159 38 H ILE 6 H ILE 6 -9.690 1.286 -0.178 39 HA ILE 6 HA ILE 6 -7.165 2.635 -0.527 40 HB ILE 6 HB ILE 6 -6.164 0.543 0.311 41 HG12 ILE 6 2HG1 ILE 6 -8.324 -0.905 1.288 42 HG13 ILE 6 1HG1 ILE 6 -8.813 -0.484 -0.351 43 HG21 ILE 6 1HG2 ILE 6 -7.429 2.416 1.719 44 HG22 ILE 6 2HG2 ILE 6 -6.659 1.020 2.473 45 HG23 ILE 6 3HG2 ILE 6 -8.399 1.022 2.189 46 HD11 ILE 6 3HD1 ILE 6 -6.477 -1.356 -1.015 47 HD12 ILE 6 1HD1 ILE 6 -7.751 -2.511 -0.625 48 HD13 ILE 6 2HD1 ILE 6 -6.505 -2.137 0.566 49 H LYS 7 H LYS 7 -6.251 2.790 -2.461 50 HA LYS 7 HA LYS 7 -6.183 0.407 -4.174 51 HB2 LYS 7 2HB LYS 7 -6.577 1.751 -6.165 52 HB3 LYS 7 1HB LYS 7 -7.926 1.908 -5.048 53 HG2 LYS 7 2HG LYS 7 -6.513 4.014 -4.253 54 HG3 LYS 7 1HG LYS 7 -5.937 3.916 -5.919 55 HD2 LYS 7 2HD LYS 7 -7.911 4.581 -6.770 56 HD3 LYS 7 1HD LYS 7 -8.842 3.634 -5.608 57 HE2 LYS 7 2HE LYS 7 -9.250 6.010 -5.295 58 HE3 LYS 7 1HE LYS 7 -8.419 5.334 -3.893 59 HZ1 LYS 7 3HZ LYS 7 -6.793 6.516 -6.021 60 HZ2 LYS 7 1HZ LYS 7 -6.520 6.472 -4.351 61 HZ3 LYS 7 2HZ LYS 7 -7.639 7.564 -4.998 62 H DBB 8 H DBB 8 -4.239 1.558 -2.349 63 HA DBB 8 HA DBB 8 -2.016 1.731 -4.201 64 HB3 DBB 8 HB DBB 8 -1.719 0.266 -2.318 65 HG1 DBB 8 3HG2 DBB 8 0.248 1.079 -1.235 66 HG2 DBB 8 1HG2 DBB 8 -0.176 2.753 -1.592 67 HG3 DBB 8 2HG2 DBB 8 0.287 1.664 -2.898 68 H LEU 9 H LEU 9 -3.487 3.725 -1.660 69 HA LEU 9 HA LEU 9 -2.416 6.085 -2.980 70 HB2 LEU 9 2HB LEU 9 -4.062 7.335 -1.923 71 HB3 LEU 9 1HB LEU 9 -4.848 5.810 -2.271 72 HG LEU 9 HG LEU 9 -5.578 6.361 -0.122 73 HD11 LEU 9 1HD1 LEU 9 -4.537 4.732 1.390 74 HD12 LEU 9 2HD1 LEU 9 -3.214 4.529 0.242 75 HD13 LEU 9 3HD1 LEU 9 -4.852 4.058 -0.210 76 HD21 LEU 9 3HD2 LEU 9 -2.902 6.777 1.075 77 HD22 LEU 9 1HD2 LEU 9 -4.447 7.537 1.454 78 HD23 LEU 9 2HD2 LEU 9 -3.533 8.059 0.040 79 H DBB 10 H DBB 10 -1.271 4.104 -0.609 80 HA DBB 10 HA DBB 10 -0.443 5.995 1.340 81 HB3 DBB 10 HB DBB 10 0.890 6.697 -0.685 82 HG1 DBB 10 3HG2 DBB 10 2.901 7.124 0.444 83 HG2 DBB 10 1HG2 DBB 10 2.745 5.685 1.452 84 HG3 DBB 10 2HG2 DBB 10 1.682 7.066 1.718 85 H LYS 11 H LYS 11 1.457 5.089 2.659 86 HA LYS 11 HA LYS 11 2.118 2.365 2.601 87 HB2 LYS 11 2HB LYS 11 2.130 4.292 4.927 88 HB3 LYS 11 1HB LYS 11 2.925 2.723 4.911 89 HG2 LYS 11 2HG LYS 11 4.032 3.785 2.722 90 HG3 LYS 11 1HG LYS 11 3.709 5.263 3.630 91 HD2 LYS 11 2HD LYS 11 4.952 3.006 5.099 92 HD3 LYS 11 1HD LYS 11 5.957 3.860 3.926 93 HE2 LYS 11 2HE LYS 11 6.141 5.660 5.240 94 HE3 LYS 11 1HE LYS 11 4.420 5.659 5.623 95 HZ1 LYS 11 3HZ LYS 11 5.839 5.309 7.578 96 HZ2 LYS 11 1HZ LYS 11 6.429 3.880 6.891 97 HZ3 LYS 11 2HZ LYS 11 4.795 4.007 7.306 98 H ASP 12 H ASP 12 -0.716 3.965 3.717 99 HA ASP 12 HA ASP 12 -1.574 2.179 5.702 100 HB2 ASP 12 2HB ASP 12 -2.627 4.375 5.290 101 HB3 ASP 12 1HB ASP 12 -3.270 3.772 3.765 102 H CYS 13 H CYS 13 -1.351 1.845 2.296 103 HA CYS 13 HA CYS 13 -3.354 -0.021 1.758 104 HB2 CYS 13 2HB CYS 13 -0.618 0.312 0.515 105 HB3 CYS 13 1HB CYS 13 -1.898 -0.693 -0.157 106 HA PRO 14 HA PRO 14 -1.846 -3.332 4.433 107 HB2 PRO 14 2HB PRO 14 -3.889 -4.828 2.878 108 HB3 PRO 14 1HB PRO 14 -3.664 -4.719 4.628 109 HG2 PRO 14 2HG PRO 14 -5.646 -3.406 3.425 110 HG3 PRO 14 1HG PRO 14 -4.755 -2.679 4.774 111 HD2 PRO 14 2HD PRO 14 -4.546 -2.127 1.845 112 HD3 PRO 14 1HD PRO 14 -4.434 -1.005 3.216 113 H ASN 15 H ASN 15 -2.110 -3.287 0.987 114 HA ASN 15 HA ASN 15 0.322 -4.520 0.498 115 HB2 ASN 15 2HB ASN 15 -1.940 -6.393 0.796 116 HB3 ASN 15 1HB ASN 15 -0.980 -6.605 -0.667 117 HD21 ASN 15 1HD2 ASN 15 -0.815 -8.690 0.753 118 HD22 ASN 15 2HD2 ASN 15 0.613 -8.779 1.722 119 H VAL 16 H VAL 16 0.888 -4.291 -1.603 120 HA VAL 16 HA VAL 16 -1.168 -3.188 -3.393 121 HB VAL 16 HB VAL 16 1.821 -2.846 -3.601 122 HG11 VAL 16 1HG1 VAL 16 0.740 -0.763 -4.922 123 HG12 VAL 16 2HG1 VAL 16 -0.495 -1.988 -5.212 124 HG13 VAL 16 3HG1 VAL 16 1.176 -2.288 -5.693 125 HG21 VAL 16 3HG2 VAL 16 -0.117 -1.535 -1.887 126 HG22 VAL 16 1HG2 VAL 16 0.713 -0.393 -2.945 127 HG23 VAL 16 2HG2 VAL 16 1.644 -1.444 -1.878 128 H ILE 17 H ILE 17 -1.915 -5.061 -4.351 129 HA ILE 17 HA ILE 17 0.014 -6.847 -5.627 130 HB ILE 17 HB ILE 17 -2.984 -7.148 -5.594 131 HG12 ILE 17 2HG1 ILE 17 -0.967 -8.259 -3.629 132 HG13 ILE 17 1HG1 ILE 17 -2.140 -6.992 -3.284 133 HG21 ILE 17 1HG2 ILE 17 -2.289 -8.666 -7.140 134 HG22 ILE 17 2HG2 ILE 17 -2.065 -9.635 -5.684 135 HG23 ILE 17 3HG2 ILE 17 -0.684 -8.827 -6.426 136 HD11 ILE 17 3HD1 ILE 17 -2.552 -9.914 -3.644 137 HD12 ILE 17 1HD1 ILE 17 -3.863 -8.806 -4.047 138 HD13 ILE 17 2HD1 ILE 17 -3.195 -8.826 -2.415 139 H SER 18 H SER 18 -0.853 -4.028 -6.530 140 HA SER 18 HA SER 18 -1.646 -4.766 -9.268 141 HB2 SER 18 2HB SER 18 -2.572 -2.516 -9.498 142 HB3 SER 18 1HB SER 18 -3.284 -3.326 -8.102 143 HG SER 18 HG SER 18 -2.094 -2.074 -6.758 144 H SER 19 H SER 19 0.167 -2.224 -7.532 145 HA SER 19 HA SER 19 1.704 -1.509 -9.809 146 HB2 SER 19 2HB SER 19 2.012 -0.914 -6.866 147 HB3 SER 19 1HB SER 19 3.134 -0.298 -8.078 148 HG SER 19 HG SER 19 0.340 0.093 -8.266 149 H ILE 20 H ILE 20 3.509 -2.252 -6.907 150 HA ILE 20 HA ILE 20 4.871 -4.401 -8.367 151 HB ILE 20 HB ILE 20 6.194 -2.425 -6.516 152 HG12 ILE 20 2HG1 ILE 20 5.422 -1.424 -8.647 153 HG13 ILE 20 1HG1 ILE 20 7.177 -1.467 -8.521 154 HG21 ILE 20 1HG2 ILE 20 8.068 -3.655 -6.644 155 HG22 ILE 20 2HG2 ILE 20 7.839 -3.994 -8.359 156 HG23 ILE 20 3HG2 ILE 20 7.003 -4.967 -7.150 157 HD11 ILE 20 3HD1 ILE 20 6.183 -3.854 -9.783 158 HD12 ILE 20 1HD1 ILE 20 7.343 -2.666 -10.378 159 HD13 ILE 20 2HD1 ILE 20 5.615 -2.407 -10.619 160 H CYS 21 H CYS 21 6.262 -3.906 -5.341 161 HA CYS 21 HA CYS 21 6.363 -5.264 -3.519 162 HB2 CYS 21 2HB CYS 21 3.883 -4.023 -3.608 163 HB3 CYS 21 1HB CYS 21 3.490 -5.710 -3.295 164 H ALA 22 H ALA 22 6.619 -6.578 -5.967 165 HA ALA 22 HA ALA 22 5.131 -8.737 -6.603 166 HB1 ALA 22 1HB ALA 22 7.298 -8.006 -7.648 167 HB2 ALA 22 2HB ALA 22 7.067 -9.750 -7.518 168 HB3 ALA 22 3HB ALA 22 8.125 -8.913 -6.382 169 H GLY 23 H GLY 23 4.058 -9.744 -4.918 170 HA2 GLY 23 2HA GLY 23 3.729 -11.232 -3.202 171 HA3 GLY 23 1HA GLY 23 5.220 -11.983 -3.749 172 H THR 24 H THR 24 4.493 -8.857 -2.199 173 HA THR 24 HA THR 24 5.951 -9.664 0.178 174 HB THR 24 HB THR 24 6.892 -7.066 -0.839 175 HG1 THR 24 1HG THR 24 7.698 -9.471 -2.105 176 HG21 THR 24 3HG2 THR 24 8.368 -9.474 0.198 177 HG22 THR 24 1HG2 THR 24 7.846 -8.089 1.158 178 HG23 THR 24 2HG2 THR 24 9.055 -7.879 -0.109 179 H ILE 25 H ILE 25 6.004 -7.756 1.783 180 HA ILE 25 HA ILE 25 3.336 -6.540 1.754 181 HB ILE 25 HB ILE 25 5.217 -6.715 4.104 182 HG12 ILE 25 2HG1 ILE 25 4.685 -8.975 3.225 183 HG13 ILE 25 1HG1 ILE 25 3.998 -8.693 4.822 184 HG21 ILE 25 1HG2 ILE 25 2.599 -5.566 3.650 185 HG22 ILE 25 2HG2 ILE 25 3.699 -5.368 5.014 186 HG23 ILE 25 3HG2 ILE 25 2.584 -6.733 4.971 187 HD11 ILE 25 3HD1 ILE 25 1.938 -7.927 3.267 188 HD12 ILE 25 1HD1 ILE 25 2.159 -9.564 3.885 189 HD13 ILE 25 2HD1 ILE 25 2.674 -9.163 2.246 190 H ILE 26 H ILE 26 6.517 -5.607 3.076 191 HA ILE 26 HA ILE 26 6.354 -3.042 1.710 192 HB ILE 26 HB ILE 26 6.701 -3.131 4.706 193 HG12 ILE 26 2HG1 ILE 26 4.282 -2.299 3.086 194 HG13 ILE 26 1HG1 ILE 26 4.397 -3.732 4.103 195 HG21 ILE 26 1HG2 ILE 26 7.086 -0.909 4.643 196 HG22 ILE 26 2HG2 ILE 26 5.974 -0.646 3.299 197 HG23 ILE 26 3HG2 ILE 26 7.599 -1.260 2.993 198 HD11 ILE 26 3HD1 ILE 26 3.227 -2.205 5.400 199 HD12 ILE 26 1HD1 ILE 26 4.257 -0.858 4.915 200 HD13 ILE 26 2HD1 ILE 26 4.877 -2.093 6.011 201 H THR 27 H THR 27 8.236 -3.310 0.623 202 HA THR 27 HA THR 27 10.684 -3.162 2.148 203 HB THR 27 HB THR 27 11.716 -5.081 0.888 204 HG1 THR 27 1HG THR 27 10.469 -6.412 -0.254 205 HG21 THR 27 3HG2 THR 27 10.791 -6.858 2.251 206 HG22 THR 27 1HG2 THR 27 9.413 -5.841 2.667 207 HG23 THR 27 2HG2 THR 27 11.032 -5.395 3.207 208 H ALA 28 H ALA 28 9.559 -3.904 -1.158 209 HA ALA 28 HA ALA 28 11.376 -1.807 -2.142 210 HB1 ALA 28 1HB ALA 28 11.909 -3.081 -3.926 211 HB2 ALA 28 2HB ALA 28 10.286 -3.757 -4.065 212 HB3 ALA 28 3HB ALA 28 11.408 -4.396 -2.863 213 H CYS 29 H CYS 29 8.088 -2.788 -1.898 214 HA CYS 29 HA CYS 29 7.181 -1.077 -4.051 215 HB2 CYS 29 2HB CYS 29 4.983 -1.882 -3.553 216 HB3 CYS 29 1HB CYS 29 6.081 -3.248 -3.507 217 H LYS 30 H LYS 30 8.503 0.585 -2.599 218 HA LYS 30 HA LYS 30 6.967 1.775 -0.476 219 HB2 LYS 30 2HB LYS 30 9.436 2.791 -1.890 220 HB3 LYS 30 1HB LYS 30 8.755 3.456 -0.412 221 HG2 LYS 30 2HG LYS 30 9.081 1.065 0.523 222 HG3 LYS 30 1HG LYS 30 10.191 0.872 -0.834 223 HD2 LYS 30 2HD LYS 30 11.535 1.585 0.960 224 HD3 LYS 30 1HD LYS 30 11.293 3.025 -0.032 225 HE2 LYS 30 2HE LYS 30 9.351 3.579 1.509 226 HE3 LYS 30 1HE LYS 30 9.962 2.311 2.571 227 HZ1 LYS 30 3HZ LYS 30 11.906 4.285 1.691 228 HZ2 LYS 30 1HZ LYS 30 11.706 3.561 3.207 229 HZ3 LYS 30 2HZ LYS 30 10.712 4.849 2.747 230 H ASN 31 H ASN 31 7.440 2.297 -3.886 231 HA ASN 31 HA ASN 31 6.356 4.924 -3.991 232 HB2 ASN 31 2HB ASN 31 6.208 4.538 -6.420 233 HB3 ASN 31 1HB ASN 31 7.780 4.065 -5.785 234 HD21 ASN 31 1HD2 ASN 31 5.067 3.106 -7.540 235 HD22 ASN 31 2HD2 ASN 31 5.456 1.430 -7.703 236 H CYS 32 H CYS 32 4.354 5.411 -3.448 237 HA CYS 32 HA CYS 32 2.237 3.462 -3.529 238 HB2 CYS 32 2HB CYS 32 2.393 6.352 -2.697 239 HB3 CYS 32 1HB CYS 32 0.859 5.491 -2.754 240 H ALA 33 H ALA 33 2.738 6.653 -5.041 241 HA ALA 33 HA ALA 33 1.305 5.704 -7.408 242 HB1 ALA 33 1HB ALA 33 0.146 8.017 -7.426 243 HB2 ALA 33 2HB ALA 33 0.503 8.026 -5.699 244 HB3 ALA 33 3HB ALA 33 -0.497 6.745 -6.386 Start of MODEL 20 1 H1 ALA 1 1HT ALA 1 -22.790 6.491 -3.195 2 H2 ALA 1 2HT ALA 1 -21.482 5.380 -3.154 3 H3 ALA 1 3HT ALA 1 -22.896 5.081 -2.227 4 HA ALA 1 HA ALA 1 -23.189 3.709 -3.970 5 HB1 ALA 1 2HB ALA 1 -25.231 4.688 -3.996 6 HB2 ALA 1 3HB ALA 1 -24.702 5.188 -5.603 7 HB3 ALA 1 1HB ALA 1 -24.576 6.306 -4.246 8 H ASP 2 H ASP 2 -22.197 6.855 -5.321 9 HA ASP 2 HA ASP 2 -20.431 5.461 -7.176 10 HB2 ASP 2 2HB ASP 2 -22.926 6.754 -7.945 11 HB3 ASP 2 1HB ASP 2 -21.539 7.433 -8.792 12 H ARG 3 H ARG 3 -18.691 6.342 -6.071 13 HA ARG 3 HA ARG 3 -18.257 9.199 -6.565 14 HB2 ARG 3 2HB ARG 3 -18.940 8.510 -4.113 15 HB3 ARG 3 1HB ARG 3 -17.254 8.021 -4.010 16 HG2 ARG 3 2HG ARG 3 -16.858 10.442 -4.984 17 HG3 ARG 3 1HG ARG 3 -18.436 10.732 -4.248 18 HD2 ARG 3 2HD ARG 3 -17.627 10.041 -2.099 19 HD3 ARG 3 1HD ARG 3 -16.094 9.518 -2.793 20 HE ARG 3 HE ARG 3 -15.369 11.687 -2.745 21 HH11 ARG 3 1HH1 ARG 3 -18.834 11.646 -2.326 22 HH12 ARG 3 2HH1 ARG 3 -18.935 13.334 -1.955 23 HH21 ARG 3 1HH2 ARG 3 -15.499 13.908 -2.256 24 HH22 ARG 3 2HH2 ARG 3 -17.042 14.619 -1.914 25 H GLY 4 H GLY 4 -16.497 6.493 -5.045 26 HA2 GLY 4 2HA GLY 4 -14.773 5.542 -6.713 27 HA3 GLY 4 1HA GLY 4 -14.193 7.201 -6.729 28 H TRP 5 H TRP 5 -14.356 4.233 -4.947 29 HA TRP 5 HA TRP 5 -13.342 5.120 -2.480 30 HB2 TRP 5 2HB TRP 5 -14.357 2.823 -3.137 31 HB3 TRP 5 1HB TRP 5 -12.712 2.407 -3.609 32 HD1 TRP 5 HD TRP 5 -10.856 3.032 -1.447 33 HE1 TRP 5 1HE TRP 5 -11.127 2.291 1.003 34 HE3 TRP 5 3HE TRP 5 -15.893 2.150 -1.416 35 HZ2 TRP 5 2HZ TRP 5 -13.201 1.444 2.721 36 HZ3 TRP 5 3HZ TRP 5 -16.941 1.376 0.671 37 HH2 TRP 5 HH TRP 5 -15.622 1.032 2.696 38 H ILE 6 H ILE 6 -11.277 5.270 -1.660 39 HA ILE 6 HA ILE 6 -9.125 5.294 -3.671 40 HB ILE 6 HB ILE 6 -9.141 6.774 -1.042 41 HG12 ILE 6 2HG1 ILE 6 -9.817 7.797 -3.810 42 HG13 ILE 6 1HG1 ILE 6 -10.957 7.592 -2.484 43 HG21 ILE 6 1HG2 ILE 6 -7.349 8.097 -2.197 44 HG22 ILE 6 2HG2 ILE 6 -7.370 6.881 -3.474 45 HG23 ILE 6 3HG2 ILE 6 -6.924 6.425 -1.830 46 HD11 ILE 6 3HD1 ILE 6 -9.760 9.913 -3.089 47 HD12 ILE 6 1HD1 ILE 6 -8.619 9.278 -1.905 48 HD13 ILE 6 2HD1 ILE 6 -10.315 9.489 -1.470 49 H LYS 7 H LYS 7 -8.202 3.318 -3.532 50 HA LYS 7 HA LYS 7 -7.051 2.577 -0.930 51 HB2 LYS 7 2HB LYS 7 -7.515 0.218 -1.374 52 HB3 LYS 7 1HB LYS 7 -9.006 1.151 -1.332 53 HG2 LYS 7 2HG LYS 7 -8.314 1.208 -3.993 54 HG3 LYS 7 1HG LYS 7 -7.840 -0.414 -3.486 55 HD2 LYS 7 2HD LYS 7 -10.182 -0.482 -2.374 56 HD3 LYS 7 1HD LYS 7 -10.549 0.863 -3.456 57 HE2 LYS 7 2HE LYS 7 -9.913 -0.513 -5.378 58 HE3 LYS 7 1HE LYS 7 -9.543 -1.855 -4.296 59 HZ1 LYS 7 3HZ LYS 7 -12.214 -0.607 -4.656 60 HZ2 LYS 7 1HZ LYS 7 -11.862 -1.889 -3.609 61 HZ3 LYS 7 2HZ LYS 7 -11.729 -2.101 -5.281 62 H DBB 8 H DBB 8 -4.932 2.903 -1.236 63 HA DBB 8 HA DBB 8 -3.738 2.047 -3.777 64 HB3 DBB 8 HB DBB 8 -3.334 0.258 -2.194 65 HG1 DBB 8 3HG2 DBB 8 -0.926 0.139 -2.207 66 HG2 DBB 8 1HG2 DBB 8 -0.805 1.879 -2.458 67 HG3 DBB 8 2HG2 DBB 8 -1.476 0.851 -3.722 68 H LEU 9 H LEU 9 -3.235 3.890 -0.772 69 HA LEU 9 HA LEU 9 -2.108 6.057 -2.332 70 HB2 LEU 9 2HB LEU 9 -2.364 6.135 0.641 71 HB3 LEU 9 1HB LEU 9 -2.517 7.439 -0.521 72 HG LEU 9 HG LEU 9 -4.638 5.931 -1.244 73 HD11 LEU 9 1HD1 LEU 9 -3.858 4.591 0.977 74 HD12 LEU 9 2HD1 LEU 9 -5.517 4.651 0.382 75 HD13 LEU 9 3HD1 LEU 9 -5.001 5.744 1.665 76 HD21 LEU 9 3HD2 LEU 9 -4.490 8.038 0.907 77 HD22 LEU 9 1HD2 LEU 9 -5.990 7.481 0.168 78 HD23 LEU 9 2HD2 LEU 9 -4.768 8.286 -0.816 79 H DBB 10 H DBB 10 -0.972 3.597 -0.147 80 HA DBB 10 HA DBB 10 1.659 4.905 -0.049 81 HB3 DBB 10 HB DBB 10 2.802 2.843 -0.600 82 HG1 DBB 10 3HG2 DBB 10 1.519 0.875 -1.416 83 HG2 DBB 10 1HG2 DBB 10 0.060 1.628 -0.785 84 HG3 DBB 10 2HG2 DBB 10 1.346 1.147 0.316 85 H LYS 11 H LYS 11 0.387 5.340 2.074 86 HA LYS 11 HA LYS 11 1.608 3.689 4.085 87 HB2 LYS 11 2HB LYS 11 0.186 6.282 4.002 88 HB3 LYS 11 1HB LYS 11 0.059 5.386 5.509 89 HG2 LYS 11 2HG LYS 11 2.779 5.506 4.470 90 HG3 LYS 11 1HG LYS 11 2.087 7.092 4.818 91 HD2 LYS 11 2HD LYS 11 1.639 5.017 6.866 92 HD3 LYS 11 1HD LYS 11 3.311 5.544 6.660 93 HE2 LYS 11 2HE LYS 11 2.907 7.588 7.516 94 HE3 LYS 11 1HE LYS 11 1.326 7.709 6.746 95 HZ1 LYS 11 3HZ LYS 11 1.584 5.795 8.929 96 HZ2 LYS 11 1HZ LYS 11 0.289 6.805 8.523 97 HZ3 LYS 11 2HZ LYS 11 1.625 7.432 9.350 98 H ASP 12 H ASP 12 -1.499 3.904 2.592 99 HA ASP 12 HA ASP 12 -2.736 2.318 4.719 100 HB2 ASP 12 2HB ASP 12 -3.687 4.356 2.986 101 HB3 ASP 12 1HB ASP 12 -4.557 2.879 2.583 102 H CYS 13 H CYS 13 -0.763 1.341 2.598 103 HA CYS 13 HA CYS 13 -2.268 -1.065 1.963 104 HB2 CYS 13 2HB CYS 13 -0.664 -0.109 -0.321 105 HB3 CYS 13 1HB CYS 13 -2.200 -0.957 -0.301 106 HA PRO 14 HA PRO 14 2.014 -2.117 3.099 107 HB2 PRO 14 2HB PRO 14 1.110 -4.138 4.849 108 HB3 PRO 14 1HB PRO 14 1.654 -2.522 5.295 109 HG2 PRO 14 2HG PRO 14 -0.955 -3.530 5.545 110 HG3 PRO 14 1HG PRO 14 -0.464 -1.836 5.697 111 HD2 PRO 14 2HD PRO 14 -1.693 -3.255 3.386 112 HD3 PRO 14 1HD PRO 14 -1.866 -1.562 3.900 113 H ASN 15 H ASN 15 0.671 -3.054 0.745 114 HA ASN 15 HA ASN 15 2.129 -5.300 0.090 115 HB2 ASN 15 2HB ASN 15 0.073 -6.069 1.791 116 HB3 ASN 15 1HB ASN 15 -0.557 -6.440 0.191 117 HD21 ASN 15 1HD2 ASN 15 -0.366 -8.609 1.358 118 HD22 ASN 15 2HD2 ASN 15 1.095 -9.486 1.076 119 H VAL 16 H VAL 16 -0.700 -3.343 -0.400 120 HA VAL 16 HA VAL 16 -1.527 -2.401 -2.310 121 HB VAL 16 HB VAL 16 0.373 -4.132 -3.894 122 HG11 VAL 16 1HG1 VAL 16 -0.046 -1.725 -5.204 123 HG12 VAL 16 2HG1 VAL 16 -1.637 -2.163 -4.581 124 HG13 VAL 16 3HG1 VAL 16 -0.755 -3.285 -5.617 125 HG21 VAL 16 3HG2 VAL 16 2.010 -2.949 -2.931 126 HG22 VAL 16 1HG2 VAL 16 0.881 -1.789 -2.232 127 HG23 VAL 16 2HG2 VAL 16 1.426 -1.595 -3.897 128 H ILE 17 H ILE 17 -3.381 -2.884 -3.333 129 HA ILE 17 HA ILE 17 -4.266 -5.656 -3.266 130 HB ILE 17 HB ILE 17 -5.887 -3.259 -4.103 131 HG12 ILE 17 2HG1 ILE 17 -5.760 -4.439 -1.325 132 HG13 ILE 17 1HG1 ILE 17 -4.827 -3.026 -1.809 133 HG21 ILE 17 1HG2 ILE 17 -7.565 -4.694 -4.342 134 HG22 ILE 17 2HG2 ILE 17 -7.309 -5.336 -2.720 135 HG23 ILE 17 3HG2 ILE 17 -6.421 -6.011 -4.085 136 HD11 ILE 17 3HD1 ILE 17 -6.582 -1.675 -1.600 137 HD12 ILE 17 1HD1 ILE 17 -7.341 -3.005 -0.725 138 HD13 ILE 17 2HD1 ILE 17 -7.653 -2.792 -2.448 139 H SER 18 H SER 18 -2.377 -4.382 -5.352 140 HA SER 18 HA SER 18 -3.617 -5.702 -7.629 141 HB2 SER 18 2HB SER 18 -2.831 -3.686 -9.067 142 HB3 SER 18 1HB SER 18 -4.346 -3.543 -8.174 143 HG SER 18 HG SER 18 -3.490 -1.892 -7.224 144 H SER 19 H SER 19 -2.063 -6.030 -9.419 145 HA SER 19 HA SER 19 0.338 -7.129 -8.521 146 HB2 SER 19 2HB SER 19 0.947 -7.296 -10.915 147 HB3 SER 19 1HB SER 19 -0.704 -7.835 -10.612 148 HG SER 19 HG SER 19 -1.344 -5.658 -11.246 149 H ILE 20 H ILE 20 0.216 -4.460 -10.838 150 HA ILE 20 HA ILE 20 2.748 -3.479 -9.885 151 HB ILE 20 HB ILE 20 1.629 -3.643 -12.369 152 HG12 ILE 20 2HG1 ILE 20 3.824 -1.881 -11.320 153 HG13 ILE 20 1HG1 ILE 20 3.967 -3.479 -12.034 154 HG21 ILE 20 1HG2 ILE 20 0.137 -1.676 -11.648 155 HG22 ILE 20 2HG2 ILE 20 0.941 -1.593 -13.215 156 HG23 ILE 20 3HG2 ILE 20 1.590 -0.694 -11.844 157 HD11 ILE 20 3HD1 ILE 20 3.409 -2.616 -14.203 158 HD12 ILE 20 1HD1 ILE 20 4.727 -1.663 -13.519 159 HD13 ILE 20 2HD1 ILE 20 3.084 -1.020 -13.526 160 H CYS 21 H CYS 21 2.687 -0.857 -10.144 161 HA CYS 21 HA CYS 21 0.485 0.133 -8.492 162 HB2 CYS 21 2HB CYS 21 3.389 0.273 -7.889 163 HB3 CYS 21 1HB CYS 21 2.409 1.674 -7.492 164 H ALA 22 H ALA 22 3.235 0.989 -10.504 165 HA ALA 22 HA ALA 22 1.644 3.114 -11.737 166 HB1 ALA 22 1HB ALA 22 3.111 4.043 -9.880 167 HB2 ALA 22 2HB ALA 22 3.268 4.794 -11.468 168 HB3 ALA 22 3HB ALA 22 4.484 3.643 -10.913 169 H GLY 23 H GLY 23 3.275 4.167 -13.516 170 HA2 GLY 23 2HA GLY 23 3.533 2.155 -15.473 171 HA3 GLY 23 1HA GLY 23 4.136 3.799 -15.611 172 H THR 24 H THR 24 6.195 3.733 -16.193 173 HA THR 24 HA THR 24 8.410 3.241 -16.247 174 HB THR 24 HB THR 24 9.520 2.957 -14.231 175 HG1 THR 24 1HG THR 24 7.324 1.363 -13.467 176 HG21 THR 24 3HG2 THR 24 6.814 3.893 -13.311 177 HG22 THR 24 1HG2 THR 24 8.079 4.909 -14.000 178 HG23 THR 24 2HG2 THR 24 8.340 4.103 -12.454 179 H ILE 25 H ILE 25 9.912 1.529 -16.600 180 HA ILE 25 HA ILE 25 8.594 -1.082 -16.948 181 HB ILE 25 HB ILE 25 11.048 -0.098 -18.400 182 HG12 ILE 25 2HG1 ILE 25 8.744 -0.308 -20.093 183 HG13 ILE 25 1HG1 ILE 25 8.355 0.743 -18.734 184 HG21 ILE 25 1HG2 ILE 25 11.041 -2.043 -19.550 185 HG22 ILE 25 2HG2 ILE 25 9.283 -2.183 -19.517 186 HG23 ILE 25 3HG2 ILE 25 10.231 -2.633 -18.099 187 HD11 ILE 25 3HD1 ILE 25 9.246 2.330 -20.030 188 HD12 ILE 25 1HD1 ILE 25 10.158 1.174 -21.001 189 HD13 ILE 25 2HD1 ILE 25 10.783 1.698 -19.437 190 H ILE 26 H ILE 26 11.418 0.554 -15.683 191 HA ILE 26 HA ILE 26 13.069 -1.631 -15.158 192 HB ILE 26 HB ILE 26 12.796 0.812 -13.405 193 HG12 ILE 26 2HG1 ILE 26 14.943 0.807 -15.394 194 HG13 ILE 26 1HG1 ILE 26 13.338 0.814 -16.117 195 HG21 ILE 26 1HG2 ILE 26 15.420 0.193 -13.429 196 HG22 ILE 26 2HG2 ILE 26 14.713 -1.415 -13.591 197 HG23 ILE 26 3HG2 ILE 26 14.281 -0.397 -12.218 198 HD11 ILE 26 3HD1 ILE 26 14.728 2.893 -14.566 199 HD12 ILE 26 1HD1 ILE 26 12.998 2.720 -14.273 200 HD13 ILE 26 2HD1 ILE 26 13.589 3.037 -15.905 201 H THR 27 H THR 27 10.755 -0.046 -12.958 202 HA THR 27 HA THR 27 10.626 -2.563 -11.430 203 HB THR 27 HB THR 27 9.728 -0.697 -9.663 204 HG1 THR 27 1HG THR 27 11.826 0.536 -11.116 205 HG21 THR 27 3HG2 THR 27 11.895 -0.774 -8.583 206 HG22 THR 27 1HG2 THR 27 12.617 -1.434 -10.051 207 HG23 THR 27 2HG2 THR 27 11.421 -2.373 -9.157 208 H ALA 28 H ALA 28 8.534 -2.904 -10.294 209 HA ALA 28 HA ALA 28 6.330 -2.102 -12.051 210 HB1 ALA 28 1HB ALA 28 6.905 -4.488 -10.408 211 HB2 ALA 28 2HB ALA 28 6.133 -4.356 -11.988 212 HB3 ALA 28 3HB ALA 28 5.217 -3.995 -10.525 213 H CYS 29 H CYS 29 6.556 -2.918 -8.599 214 HA CYS 29 HA CYS 29 5.355 -0.357 -7.913 215 HB2 CYS 29 2HB CYS 29 3.353 -1.528 -8.119 216 HB3 CYS 29 1HB CYS 29 4.023 -3.013 -7.496 217 H LYS 30 H LYS 30 7.132 0.244 -6.793 218 HA LYS 30 HA LYS 30 7.933 -1.436 -4.512 219 HB2 LYS 30 2HB LYS 30 9.723 -0.953 -6.154 220 HB3 LYS 30 1HB LYS 30 9.500 0.767 -5.867 221 HG2 LYS 30 2HG LYS 30 10.000 -0.859 -3.468 222 HG3 LYS 30 1HG LYS 30 11.337 -0.752 -4.615 223 HD2 LYS 30 2HD LYS 30 10.700 1.816 -4.560 224 HD3 LYS 30 1HD LYS 30 10.053 1.375 -2.978 225 HE2 LYS 30 2HE LYS 30 12.184 1.884 -2.358 226 HE3 LYS 30 1HE LYS 30 12.417 0.184 -2.769 227 HZ1 LYS 30 3HZ LYS 30 13.280 0.795 -4.891 228 HZ2 LYS 30 1HZ LYS 30 14.106 1.701 -3.725 229 HZ3 LYS 30 2HZ LYS 30 12.894 2.424 -4.657 230 H ASN 31 H ASN 31 6.825 1.706 -5.511 231 HA ASN 31 HA ASN 31 6.334 2.398 -2.708 232 HB2 ASN 31 2HB ASN 31 7.966 3.947 -4.671 233 HB3 ASN 31 1HB ASN 31 6.951 4.840 -3.544 234 HD21 ASN 31 1HD2 ASN 31 7.113 3.517 -1.253 235 HD22 ASN 31 2HD2 ASN 31 8.741 3.437 -0.683 236 H CYS 32 H CYS 32 5.091 4.698 -2.835 237 HA CYS 32 HA CYS 32 2.921 4.300 -4.788 238 HB2 CYS 32 2HB CYS 32 2.864 4.992 -1.874 239 HB3 CYS 32 1HB CYS 32 1.552 5.522 -2.923 240 H ALA 33 H ALA 33 4.873 6.640 -3.022 241 HA ALA 33 HA ALA 33 3.736 8.828 -4.602 242 HB1 ALA 33 1HB ALA 33 5.834 9.402 -2.608 243 HB2 ALA 33 2HB ALA 33 4.317 8.757 -1.980 244 HB3 ALA 33 3HB ALA 33 4.317 10.239 -2.936
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