NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
553383 | 2lxz | 18705 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 -1.457 -14.067 5.791 2 H2 ALA 1 2HT ALA 1 -2.832 -13.918 4.806 3 H3 ALA 1 3HT ALA 1 -2.639 -12.908 6.158 4 HA ALA 1 HA ALA 1 -0.485 -12.817 4.220 5 HB1 ALA 1 2HB ALA 1 -3.320 -12.011 3.602 6 HB2 ALA 1 3HB ALA 1 -2.163 -12.858 2.575 7 HB3 ALA 1 1HB ALA 1 -1.963 -11.135 2.892 8 H THR 2 H THR 2 -0.161 -10.328 3.827 9 HA THR 2 HA THR 2 -0.657 -8.914 6.373 10 HB THR 2 HB THR 2 1.832 -8.935 4.655 11 HG1 THR 2 1HG THR 2 1.266 -10.558 6.397 12 HG21 THR 2 3HG2 THR 2 2.394 -7.461 6.915 13 HG22 THR 2 1HG2 THR 2 0.763 -6.927 6.508 14 HG23 THR 2 2HG2 THR 2 2.059 -6.785 5.321 15 H CYS 3 H CYS 3 -2.110 -7.418 5.952 16 HA CYS 3 HA CYS 3 -2.263 -6.103 3.370 17 HB2 CYS 3 2HB CYS 3 -3.842 -5.781 5.931 18 HB3 CYS 3 1HB CYS 3 -4.182 -4.919 4.435 19 H TYR 4 H TYR 4 -1.560 -4.081 2.901 20 HA TYR 4 HA TYR 4 -1.022 -2.119 4.931 21 HB2 TYR 4 2HB TYR 4 1.384 -1.928 4.568 22 HB3 TYR 4 1HB TYR 4 0.989 -3.546 5.150 23 HD1 TYR 4 1HD TYR 4 1.111 -5.492 3.668 24 HD2 TYR 4 2HD TYR 4 2.068 -1.549 2.257 25 HE1 TYR 4 1HE TYR 4 2.161 -6.468 1.644 26 HE2 TYR 4 2HE TYR 4 3.118 -2.526 0.236 27 HH TYR 4 HH TYR 4 3.661 -5.957 -0.075 28 H CYS 5 H CYS 5 -0.416 -0.040 4.015 29 HA CYS 5 HA CYS 5 -1.353 0.207 1.252 30 HB2 CYS 5 2HB CYS 5 -0.589 2.529 2.992 31 HB3 CYS 5 1HB CYS 5 -1.771 2.440 1.712 32 H ARG 6 H ARG 6 -0.158 1.179 -0.390 33 HA ARG 6 HA ARG 6 2.643 1.860 0.170 34 HB2 ARG 6 2HB ARG 6 3.469 0.484 -1.646 35 HB3 ARG 6 1HB ARG 6 2.581 -0.534 -0.513 36 HG2 ARG 6 2HG ARG 6 0.791 -0.828 -1.962 37 HG3 ARG 6 1HG ARG 6 1.122 0.658 -2.851 38 HD2 ARG 6 2HD ARG 6 3.040 -1.667 -2.866 39 HD3 ARG 6 1HD ARG 6 1.725 -1.534 -4.029 40 HE ARG 6 HE ARG 6 2.841 0.813 -4.420 41 HH11 ARG 6 1HH2 ARG 6 4.358 -2.228 -3.754 42 HH12 ARG 6 2HH2 ARG 6 5.810 -1.848 -4.616 43 HH21 ARG 6 1HH1 ARG 6 4.741 1.312 -5.558 44 HH22 ARG 6 2HH1 ARG 6 6.027 0.154 -5.638 45 H THR 7 H THR 7 3.661 3.089 -1.559 46 HA THR 7 HA THR 7 1.750 4.853 -2.865 47 HB THR 7 HB THR 7 3.447 6.188 -2.117 48 HG1 THR 7 1HG THR 7 3.847 6.779 -4.094 49 HG21 THR 7 3HG2 THR 7 5.876 5.334 -2.131 50 HG22 THR 7 1HG2 THR 7 5.186 3.751 -2.491 51 HG23 THR 7 2HG2 THR 7 4.764 4.576 -0.991 52 H GLY 8 H GLY 8 1.068 2.830 -4.164 53 HA2 GLY 8 2HA GLY 8 1.204 2.982 -6.760 54 HA3 GLY 8 1HA GLY 8 2.830 2.370 -6.477 55 H ARG 9 H ARG 9 1.875 0.636 -7.934 56 HA ARG 9 HA ARG 9 -0.043 -1.178 -6.829 57 HB2 ARG 9 2HB ARG 9 1.690 -1.107 -9.236 58 HB3 ARG 9 1HB ARG 9 1.147 -2.693 -8.684 59 HG2 ARG 9 2HG ARG 9 -1.206 -1.671 -8.569 60 HG3 ARG 9 1HG ARG 9 -0.541 -0.327 -9.504 61 HD2 ARG 9 2HD ARG 9 -0.346 -3.228 -10.314 62 HD3 ARG 9 1HD ARG 9 -1.582 -2.125 -10.913 63 HE ARG 9 HE ARG 9 1.165 -2.240 -11.764 64 HH11 ARG 9 1HH2 ARG 9 -1.584 -0.196 -11.271 65 HH12 ARG 9 2HH2 ARG 9 -1.103 0.970 -12.458 66 HH21 ARG 9 1HH1 ARG 9 1.799 -0.714 -13.330 67 HH22 ARG 9 2HH1 ARG 9 0.810 0.678 -13.622 68 H CYS 10 H CYS 10 0.361 -3.391 -6.243 69 HA CYS 10 HA CYS 10 2.910 -3.656 -4.774 70 HB2 CYS 10 2HB CYS 10 0.131 -4.609 -4.296 71 HB3 CYS 10 1HB CYS 10 1.449 -5.630 -3.734 72 H ALA 11 H ALA 11 2.931 -6.372 -4.353 73 HA ALA 11 HA ALA 11 3.854 -7.308 -6.942 74 HB1 ALA 11 1HB ALA 11 5.233 -8.603 -5.735 75 HB2 ALA 11 2HB ALA 11 3.893 -9.288 -4.815 76 HB3 ALA 11 3HB ALA 11 4.627 -7.767 -4.304 77 H THR 12 H THR 12 3.294 -9.510 -7.691 78 HA THR 12 HA THR 12 0.521 -9.779 -8.099 79 HB THR 12 HB THR 12 2.734 -11.811 -8.462 80 HG1 THR 12 1HG THR 12 2.669 -11.069 -10.579 81 HG21 THR 12 3HG2 THR 12 1.054 -12.775 -10.112 82 HG22 THR 12 1HG2 THR 12 -0.154 -11.739 -9.352 83 HG23 THR 12 2HG2 THR 12 0.654 -12.991 -8.408 84 H ARG 13 H ARG 13 2.748 -11.484 -5.936 85 HA ARG 13 HA ARG 13 0.975 -13.393 -4.914 86 HB2 ARG 13 2HB ARG 13 3.323 -11.989 -3.618 87 HB3 ARG 13 1HB ARG 13 2.489 -13.369 -2.906 88 HG2 ARG 13 2HG ARG 13 3.554 -13.517 -5.719 89 HG3 ARG 13 1HG ARG 13 4.616 -13.816 -4.343 90 HD2 ARG 13 2HD ARG 13 2.989 -15.533 -3.528 91 HD3 ARG 13 1HD ARG 13 2.052 -15.296 -4.998 92 HE ARG 13 HE ARG 13 4.751 -16.478 -4.844 93 HH11 ARG 13 1HH2 ARG 13 1.876 -15.672 -6.614 94 HH12 ARG 13 2HH2 ARG 13 2.270 -16.682 -7.964 95 HH21 ARG 13 1HH1 ARG 13 5.262 -17.790 -6.613 96 HH22 ARG 13 2HH1 ARG 13 4.183 -17.877 -7.966 97 H GLU 14 H GLU 14 1.319 -9.981 -4.248 98 HA GLU 14 HA GLU 14 -0.184 -9.985 -1.804 99 HB2 GLU 14 2HB GLU 14 -0.020 -7.545 -3.504 100 HB3 GLU 14 1HB GLU 14 0.183 -7.728 -1.761 101 HG2 GLU 14 2HG GLU 14 2.286 -9.188 -2.601 102 HG3 GLU 14 1HG GLU 14 2.170 -8.042 -3.934 103 H SER 15 H SER 15 -2.202 -8.557 -1.666 104 HA SER 15 HA SER 15 -3.944 -8.889 -4.013 105 HB2 SER 15 2HB SER 15 -5.750 -9.624 -2.327 106 HB3 SER 15 1HB SER 15 -4.550 -10.791 -2.843 107 HG SER 15 HG SER 15 -4.344 -10.987 -0.735 108 H LEU 16 H LEU 16 -5.198 -7.211 -4.371 109 HA LEU 16 HA LEU 16 -5.015 -4.905 -2.666 110 HB2 LEU 16 2HB LEU 16 -5.710 -5.395 -5.374 111 HB3 LEU 16 1HB LEU 16 -7.082 -4.586 -4.615 112 HG LEU 16 HG LEU 16 -5.430 -2.970 -5.551 113 HD11 LEU 16 1HD1 LEU 16 -6.215 -1.634 -3.921 114 HD12 LEU 16 2HD1 LEU 16 -4.951 -2.229 -2.844 115 HD13 LEU 16 3HD1 LEU 16 -6.518 -3.035 -2.894 116 HD21 LEU 16 3HD2 LEU 16 -3.558 -4.742 -4.519 117 HD22 LEU 16 1HD2 LEU 16 -3.475 -3.377 -3.404 118 HD23 LEU 16 2HD2 LEU 16 -3.210 -3.126 -5.130 119 H SER 17 H SER 17 -6.301 -4.334 -1.063 120 HA SER 17 HA SER 17 -8.862 -5.766 -0.729 121 HB2 SER 17 2HB SER 17 -8.636 -5.386 1.627 122 HB3 SER 17 1HB SER 17 -7.088 -5.994 1.052 123 HG SER 17 HG SER 17 -7.641 -3.233 1.156 124 H GLY 18 H GLY 18 -7.412 -2.673 -1.219 125 HA2 GLY 18 2HA GLY 18 -9.698 -1.304 -1.919 126 HA3 GLY 18 1HA GLY 18 -9.550 -1.076 -0.179 127 H VAL 19 H VAL 19 -9.430 1.199 -1.374 128 HA VAL 19 HA VAL 19 -6.648 1.842 -2.080 129 HB VAL 19 HB VAL 19 -8.046 2.866 -3.637 130 HG11 VAL 19 1HG1 VAL 19 -9.940 2.886 -1.358 131 HG12 VAL 19 2HG1 VAL 19 -10.241 2.582 -3.069 132 HG13 VAL 19 3HG1 VAL 19 -10.092 4.238 -2.479 133 HG21 VAL 19 3HG2 VAL 19 -8.091 5.024 -1.526 134 HG22 VAL 19 1HG2 VAL 19 -7.840 5.193 -3.263 135 HG23 VAL 19 2HG2 VAL 19 -6.573 4.498 -2.253 136 H CYS 20 H CYS 20 -5.339 2.515 -0.545 137 HA CYS 20 HA CYS 20 -6.265 3.324 2.065 138 HB2 CYS 20 2HB CYS 20 -3.630 2.873 0.737 139 HB3 CYS 20 1HB CYS 20 -3.676 3.805 2.233 140 H GLU 21 H GLU 21 -4.972 5.313 3.007 141 HA GLU 21 HA GLU 21 -4.858 7.553 1.122 142 HB2 GLU 21 2HB GLU 21 -7.190 7.517 1.912 143 HB3 GLU 21 1HB GLU 21 -6.622 7.561 3.582 144 HG2 GLU 21 2HG GLU 21 -5.520 9.723 3.156 145 HG3 GLU 21 1HG GLU 21 -6.078 9.682 1.485 146 H ILE 22 H ILE 22 -2.808 8.199 1.483 147 HA ILE 22 HA ILE 22 -2.017 8.712 4.286 148 HB ILE 22 HB ILE 22 -0.269 7.551 2.100 149 HG12 ILE 22 2HG1 ILE 22 -0.948 6.254 4.738 150 HG13 ILE 22 1HG1 ILE 22 -2.043 6.087 3.366 151 HG21 ILE 22 1HG2 ILE 22 0.764 7.478 4.812 152 HG22 ILE 22 2HG2 ILE 22 0.411 9.136 4.326 153 HG23 ILE 22 3HG2 ILE 22 1.506 8.149 3.359 154 HD11 ILE 22 3HD1 ILE 22 0.209 4.523 3.867 155 HD12 ILE 22 1HD1 ILE 22 0.731 5.632 2.598 156 HD13 ILE 22 2HD1 ILE 22 -0.683 4.609 2.347 157 H SER 23 H SER 23 -1.107 10.678 4.654 158 HA SER 23 HA SER 23 -0.417 12.837 4.256 159 HB2 SER 23 2HB SER 23 1.383 13.063 2.831 160 HB3 SER 23 1HB SER 23 1.362 11.311 3.009 161 HG SER 23 HG SER 23 0.610 11.110 1.021 162 H GLY 24 H GLY 24 -3.037 11.855 3.217 163 HA2 GLY 24 2HA GLY 24 -4.820 12.988 2.237 164 HA3 GLY 24 1HA GLY 24 -3.689 14.204 1.650 165 H ARG 25 H ARG 25 -2.226 11.498 0.765 166 HA ARG 25 HA ARG 25 -3.403 11.550 -1.919 167 HB2 ARG 25 2HB ARG 25 -1.037 11.942 -1.910 168 HB3 ARG 25 1HB ARG 25 -0.756 10.537 -0.887 169 HG2 ARG 25 2HG ARG 25 -1.609 9.059 -2.678 170 HG3 ARG 25 1HG ARG 25 -1.883 10.469 -3.701 171 HD2 ARG 25 2HD ARG 25 0.557 10.997 -3.539 172 HD3 ARG 25 1HD ARG 25 0.786 9.500 -2.640 173 HE ARG 25 HE ARG 25 -0.535 9.119 -5.182 174 HH11 ARG 25 1HH2 ARG 25 2.474 9.451 -3.509 175 HH12 ARG 25 2HH2 ARG 25 3.390 8.583 -4.694 176 HH21 ARG 25 1HH1 ARG 25 0.659 7.972 -6.742 177 HH22 ARG 25 2HH1 ARG 25 2.362 7.745 -6.525 178 H LEU 26 H LEU 26 -4.172 9.749 -2.935 179 HA LEU 26 HA LEU 26 -5.185 7.663 -1.263 180 HB2 LEU 26 2HB LEU 26 -6.260 6.845 -3.226 181 HB3 LEU 26 1HB LEU 26 -6.283 8.604 -3.357 182 HG LEU 26 HG LEU 26 -3.920 8.099 -4.562 183 HD11 LEU 26 1HD1 LEU 26 -3.836 6.071 -5.684 184 HD12 LEU 26 2HD1 LEU 26 -5.587 5.859 -5.646 185 HD13 LEU 26 3HD1 LEU 26 -4.630 5.568 -4.193 186 HD21 LEU 26 3HD2 LEU 26 -5.340 8.059 -6.733 187 HD22 LEU 26 1HD2 LEU 26 -5.519 9.446 -5.659 188 HD23 LEU 26 2HD2 LEU 26 -6.731 8.164 -5.653 189 H TYR 27 H TYR 27 -4.317 5.770 -0.767 190 HA TYR 27 HA TYR 27 -1.909 4.877 -2.233 191 HB2 TYR 27 2HB TYR 27 -2.607 4.853 0.657 192 HB3 TYR 27 1HB TYR 27 -1.636 3.538 0.001 193 HD1 TYR 27 1HD TYR 27 -1.808 7.269 -0.439 194 HD2 TYR 27 2HD TYR 27 0.631 3.798 0.193 195 HE1 TYR 27 1HE TYR 27 0.225 8.693 -0.433 196 HE2 TYR 27 2HE TYR 27 2.660 5.219 0.191 197 HH TYR 27 HH TYR 27 2.677 8.395 0.658 198 H ARG 28 H ARG 28 -1.607 2.520 -2.316 199 HA ARG 28 HA ARG 28 -4.208 1.184 -2.715 200 HB2 ARG 28 2HB ARG 28 -1.428 0.600 -3.765 201 HB3 ARG 28 1HB ARG 28 -2.800 -0.485 -3.996 202 HG2 ARG 28 2HG ARG 28 -4.036 1.287 -5.156 203 HG3 ARG 28 1HG ARG 28 -2.708 2.417 -4.879 204 HD2 ARG 28 2HD ARG 28 -1.206 1.019 -6.212 205 HD3 ARG 28 1HD ARG 28 -2.482 -0.171 -6.443 206 HE ARG 28 HE ARG 28 -3.711 1.776 -7.578 207 HH11 ARG 28 1HH2 ARG 28 -0.259 1.395 -7.506 208 HH12 ARG 28 2HH2 ARG 28 -0.006 2.258 -8.986 209 HH21 ARG 28 1HH1 ARG 28 -3.369 2.893 -9.513 210 HH22 ARG 28 2HH1 ARG 28 -1.760 3.100 -10.120 211 H LEU 29 H LEU 29 -4.799 -0.533 -1.490 212 HA LEU 29 HA LEU 29 -2.926 -1.387 0.614 213 HB2 LEU 29 2HB LEU 29 -5.085 -0.556 1.405 214 HB3 LEU 29 1HB LEU 29 -5.928 -1.709 0.371 215 HG LEU 29 HG LEU 29 -4.990 -3.587 1.609 216 HD11 LEU 29 1HD1 LEU 29 -3.305 -1.407 2.772 217 HD12 LEU 29 2HD1 LEU 29 -2.862 -3.058 2.335 218 HD13 LEU 29 3HD1 LEU 29 -3.747 -2.748 3.829 219 HD21 LEU 29 3HD2 LEU 29 -6.351 -3.363 3.476 220 HD22 LEU 29 1HD2 LEU 29 -6.954 -2.020 2.504 221 HD23 LEU 29 2HD2 LEU 29 -5.804 -1.719 3.808 222 H CYS 30 H CYS 30 -1.757 -3.123 0.000 223 HA CYS 30 HA CYS 30 -3.175 -5.273 -1.439 224 HB2 CYS 30 2HB CYS 30 -0.970 -5.996 -2.244 225 HB3 CYS 30 1HB CYS 30 -1.325 -4.347 -2.721 226 H CYS 31 H CYS 31 -2.908 -7.465 -0.712 227 HA CYS 31 HA CYS 31 -1.672 -7.670 1.962 228 HB2 CYS 31 2HB CYS 31 -4.160 -9.099 1.028 229 HB3 CYS 31 1HB CYS 31 -3.445 -9.168 2.626 230 H ARG 32 H ARG 32 -0.277 -9.316 2.239 231 HA ARG 32 HA ARG 32 -0.253 -11.466 0.224 232 HB2 ARG 32 2HB ARG 32 2.177 -11.326 0.083 233 HB3 ARG 32 1HB ARG 32 1.441 -9.787 -0.371 234 HG2 ARG 32 2HG ARG 32 1.715 -9.307 2.237 235 HG3 ARG 32 1HG ARG 32 3.015 -10.488 2.065 236 HD2 ARG 32 2HD ARG 32 2.710 -8.125 0.214 237 HD3 ARG 32 1HD ARG 32 3.668 -8.049 1.690 238 HE ARG 32 HE ARG 32 4.474 -10.295 0.160 239 HH11 ARG 32 1HH2 ARG 32 4.538 -6.833 0.193 240 HH12 ARG 32 2HH2 ARG 32 6.008 -6.713 -0.716 241 HH21 ARG 32 1HH1 ARG 32 6.409 -10.141 -1.032 242 HH22 ARG 32 2HH1 ARG 32 7.066 -8.583 -1.408 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 -3.175 -13.398 5.263 2 H2 ALA 1 2HT ALA 1 -1.946 -13.274 6.429 3 H3 ALA 1 3HT ALA 1 -1.812 -14.405 5.168 4 HA ALA 1 HA ALA 1 -0.496 -12.823 4.274 5 HB1 ALA 1 2HB ALA 1 -2.499 -13.048 2.812 6 HB2 ALA 1 3HB ALA 1 -1.777 -11.441 2.711 7 HB3 ALA 1 1HB ALA 1 -3.242 -11.691 3.659 8 H THR 2 H THR 2 -0.172 -10.345 3.928 9 HA THR 2 HA THR 2 -0.780 -8.942 6.458 10 HB THR 2 HB THR 2 1.760 -8.807 4.814 11 HG1 THR 2 1HG THR 2 1.836 -9.561 7.449 12 HG21 THR 2 3HG2 THR 2 2.058 -7.679 7.395 13 HG22 THR 2 1HG2 THR 2 0.588 -6.989 6.707 14 HG23 THR 2 2HG2 THR 2 2.118 -6.846 5.841 15 H CYS 3 H CYS 3 -2.219 -7.449 5.990 16 HA CYS 3 HA CYS 3 -2.287 -6.139 3.401 17 HB2 CYS 3 2HB CYS 3 -3.975 -5.799 5.888 18 HB3 CYS 3 1HB CYS 3 -4.260 -4.984 4.354 19 H TYR 4 H TYR 4 -1.591 -4.117 2.952 20 HA TYR 4 HA TYR 4 -1.136 -2.137 4.989 21 HB2 TYR 4 2HB TYR 4 1.291 -1.920 4.645 22 HB3 TYR 4 1HB TYR 4 0.886 -3.507 5.300 23 HD1 TYR 4 2HD TYR 4 1.889 -1.659 2.256 24 HD2 TYR 4 1HD TYR 4 1.170 -5.518 3.998 25 HE1 TYR 4 2HE TYR 4 2.971 -2.742 0.306 26 HE2 TYR 4 1HE TYR 4 2.251 -6.602 2.049 27 HH TYR 4 HH TYR 4 2.861 -6.192 -0.177 28 H CYS 5 H CYS 5 -0.606 -0.063 4.101 29 HA CYS 5 HA CYS 5 -1.451 0.183 1.321 30 HB2 CYS 5 2HB CYS 5 -0.751 2.493 3.098 31 HB3 CYS 5 1HB CYS 5 -1.898 2.406 1.792 32 H ARG 6 H ARG 6 -0.196 1.002 -0.314 33 HA ARG 6 HA ARG 6 2.566 1.800 0.321 34 HB2 ARG 6 2HB ARG 6 3.451 0.396 -1.466 35 HB3 ARG 6 1HB ARG 6 2.575 -0.604 -0.307 36 HG2 ARG 6 2HG ARG 6 0.917 -1.108 -1.786 37 HG3 ARG 6 1HG ARG 6 0.975 0.467 -2.569 38 HD2 ARG 6 2HD ARG 6 1.796 -1.421 -4.011 39 HD3 ARG 6 1HD ARG 6 2.968 -0.127 -3.787 40 HE ARG 6 HE ARG 6 3.200 -2.317 -1.891 41 HH11 ARG 6 1HH2 ARG 6 4.116 -0.968 -4.944 42 HH12 ARG 6 2HH2 ARG 6 5.587 -1.875 -5.058 43 HH21 ARG 6 1HH1 ARG 6 5.123 -3.510 -2.037 44 HH22 ARG 6 2HH1 ARG 6 6.159 -3.312 -3.411 45 H THR 7 H THR 7 3.557 3.137 -1.271 46 HA THR 7 HA THR 7 1.658 4.771 -2.729 47 HB THR 7 HB THR 7 3.264 6.178 -1.912 48 HG1 THR 7 1HG THR 7 4.436 6.819 -3.589 49 HG21 THR 7 3HG2 THR 7 5.760 5.341 -1.919 50 HG22 THR 7 1HG2 THR 7 5.016 3.751 -2.076 51 HG23 THR 7 2HG2 THR 7 4.643 4.764 -0.682 52 H GLY 8 H GLY 8 0.978 3.003 -4.178 53 HA2 GLY 8 2HA GLY 8 1.316 3.056 -6.709 54 HA3 GLY 8 1HA GLY 8 2.927 2.453 -6.333 55 H ARG 9 H ARG 9 1.959 0.752 -7.881 56 HA ARG 9 HA ARG 9 0.041 -1.094 -6.838 57 HB2 ARG 9 2HB ARG 9 1.835 -0.978 -9.197 58 HB3 ARG 9 1HB ARG 9 1.298 -2.577 -8.683 59 HG2 ARG 9 2HG ARG 9 -1.076 -1.521 -8.606 60 HG3 ARG 9 1HG ARG 9 -0.371 -0.235 -9.589 61 HD2 ARG 9 2HD ARG 9 -0.284 -3.181 -10.253 62 HD3 ARG 9 1HD ARG 9 -1.402 -2.023 -10.965 63 HE ARG 9 HE ARG 9 0.906 -0.869 -11.594 64 HH11 ARG 9 1HH2 ARG 9 -0.007 -4.210 -11.618 65 HH12 ARG 9 2HH2 ARG 9 1.066 -4.635 -12.909 66 HH21 ARG 9 1HH1 ARG 9 2.314 -1.423 -13.285 67 HH22 ARG 9 2HH1 ARG 9 2.379 -3.057 -13.853 68 H CYS 10 H CYS 10 0.428 -3.292 -6.242 69 HA CYS 10 HA CYS 10 2.953 -3.593 -4.739 70 HB2 CYS 10 2HB CYS 10 0.162 -4.580 -4.328 71 HB3 CYS 10 1HB CYS 10 1.498 -5.548 -3.707 72 H ALA 11 H ALA 11 2.976 -6.298 -4.337 73 HA ALA 11 HA ALA 11 3.946 -7.238 -6.898 74 HB1 ALA 11 1HB ALA 11 4.570 -7.763 -4.228 75 HB2 ALA 11 2HB ALA 11 5.238 -8.576 -5.644 76 HB3 ALA 11 3HB ALA 11 3.836 -9.256 -4.816 77 H THR 12 H THR 12 3.322 -9.324 -7.793 78 HA THR 12 HA THR 12 0.556 -9.527 -8.240 79 HB THR 12 HB THR 12 2.723 -11.599 -8.678 80 HG1 THR 12 1HG THR 12 2.819 -9.463 -9.738 81 HG21 THR 12 3HG2 THR 12 0.617 -12.722 -8.761 82 HG22 THR 12 1HG2 THR 12 1.055 -12.391 -10.437 83 HG23 THR 12 2HG2 THR 12 -0.138 -11.381 -9.622 84 H ARG 13 H ARG 13 2.712 -11.351 -6.117 85 HA ARG 13 HA ARG 13 0.883 -13.273 -5.218 86 HB2 ARG 13 2HB ARG 13 3.207 -11.981 -3.771 87 HB3 ARG 13 1HB ARG 13 2.363 -13.428 -3.221 88 HG2 ARG 13 2HG ARG 13 3.591 -13.253 -5.975 89 HG3 ARG 13 1HG ARG 13 4.519 -13.790 -4.576 90 HD2 ARG 13 2HD ARG 13 2.719 -15.511 -4.154 91 HD3 ARG 13 1HD ARG 13 2.004 -15.051 -5.695 92 HE ARG 13 HE ARG 13 4.818 -15.875 -5.705 93 HH11 ARG 13 1HH2 ARG 13 1.477 -16.540 -6.323 94 HH12 ARG 13 2HH2 ARG 13 1.797 -17.870 -7.385 95 HH21 ARG 13 1HH1 ARG 13 5.244 -17.618 -7.090 96 HH22 ARG 13 2HH1 ARG 13 3.930 -18.482 -7.819 97 H GLU 14 H GLU 14 1.344 -9.921 -4.329 98 HA GLU 14 HA GLU 14 -0.199 -10.004 -1.928 99 HB2 GLU 14 2HB GLU 14 0.006 -7.488 -3.522 100 HB3 GLU 14 1HB GLU 14 0.188 -7.746 -1.784 101 HG2 GLU 14 2HG GLU 14 2.287 -9.173 -2.606 102 HG3 GLU 14 1HG GLU 14 2.186 -8.048 -3.958 103 H SER 15 H SER 15 -2.235 -8.702 -1.676 104 HA SER 15 HA SER 15 -3.989 -8.913 -4.039 105 HB2 SER 15 2HB SER 15 -5.774 -9.679 -2.385 106 HB3 SER 15 1HB SER 15 -4.546 -10.830 -2.872 107 HG SER 15 HG SER 15 -5.110 -10.394 -0.485 108 H LEU 16 H LEU 16 -5.258 -7.235 -4.349 109 HA LEU 16 HA LEU 16 -5.030 -4.949 -2.607 110 HB2 LEU 16 2HB LEU 16 -5.674 -5.353 -5.318 111 HB3 LEU 16 1HB LEU 16 -7.115 -4.653 -4.579 112 HG LEU 16 HG LEU 16 -5.586 -2.887 -5.383 113 HD11 LEU 16 1HD1 LEU 16 -5.083 -2.177 -2.720 114 HD12 LEU 16 2HD1 LEU 16 -6.502 -3.221 -2.642 115 HD13 LEU 16 3HD1 LEU 16 -6.524 -1.779 -3.656 116 HD21 LEU 16 3HD2 LEU 16 -3.529 -3.124 -3.388 117 HD22 LEU 16 1HD2 LEU 16 -3.356 -3.105 -5.142 118 HD23 LEU 16 2HD2 LEU 16 -3.614 -4.632 -4.298 119 H SER 17 H SER 17 -6.337 -4.363 -1.004 120 HA SER 17 HA SER 17 -8.885 -5.826 -0.695 121 HB2 SER 17 2HB SER 17 -8.678 -5.471 1.666 122 HB3 SER 17 1HB SER 17 -7.127 -6.068 1.089 123 HG SER 17 HG SER 17 -6.822 -4.283 2.410 124 H GLY 18 H GLY 18 -7.455 -2.708 -1.114 125 HA2 GLY 18 2HA GLY 18 -9.766 -1.365 -1.815 126 HA3 GLY 18 1HA GLY 18 -9.603 -1.134 -0.075 127 H VAL 19 H VAL 19 -9.505 1.144 -1.270 128 HA VAL 19 HA VAL 19 -6.737 1.803 -2.015 129 HB VAL 19 HB VAL 19 -8.142 2.864 -3.540 130 HG11 VAL 19 1HG1 VAL 19 -10.047 3.160 -1.207 131 HG12 VAL 19 2HG1 VAL 19 -10.282 2.229 -2.686 132 HG13 VAL 19 3HG1 VAL 19 -10.304 3.992 -2.742 133 HG21 VAL 19 3HG2 VAL 19 -8.087 5.201 -3.064 134 HG22 VAL 19 1HG2 VAL 19 -6.731 4.514 -2.167 135 HG23 VAL 19 2HG2 VAL 19 -8.228 4.921 -1.328 136 H CYS 20 H CYS 20 -5.398 2.645 -0.575 137 HA CYS 20 HA CYS 20 -6.331 3.428 2.071 138 HB2 CYS 20 2HB CYS 20 -3.705 2.869 0.775 139 HB3 CYS 20 1HB CYS 20 -3.741 3.797 2.273 140 H GLU 21 H GLU 21 -5.035 5.385 3.007 141 HA GLU 21 HA GLU 21 -4.831 7.587 1.078 142 HB2 GLU 21 2HB GLU 21 -7.150 7.656 1.895 143 HB3 GLU 21 1HB GLU 21 -6.568 7.680 3.561 144 HG2 GLU 21 2HG GLU 21 -5.375 9.792 3.117 145 HG3 GLU 21 1HG GLU 21 -5.955 9.770 1.452 146 H ILE 22 H ILE 22 -2.788 8.229 1.388 147 HA ILE 22 HA ILE 22 -1.918 8.752 4.161 148 HB ILE 22 HB ILE 22 -0.243 7.509 1.968 149 HG12 ILE 22 2HG1 ILE 22 -0.989 6.304 4.642 150 HG13 ILE 22 1HG1 ILE 22 -2.007 6.077 3.221 151 HG21 ILE 22 1HG2 ILE 22 1.305 8.737 3.194 152 HG22 ILE 22 2HG2 ILE 22 1.263 7.248 4.140 153 HG23 ILE 22 3HG2 ILE 22 0.348 8.657 4.674 154 HD11 ILE 22 3HD1 ILE 22 0.199 4.535 3.907 155 HD12 ILE 22 1HD1 ILE 22 0.809 5.597 2.637 156 HD13 ILE 22 2HD1 ILE 22 -0.596 4.569 2.333 157 H SER 23 H SER 23 -0.951 10.697 4.471 158 HA SER 23 HA SER 23 -0.223 12.831 4.021 159 HB2 SER 23 2HB SER 23 1.541 13.001 2.547 160 HB3 SER 23 1HB SER 23 1.488 11.254 2.747 161 HG SER 23 HG SER 23 0.822 11.058 0.755 162 H GLY 24 H GLY 24 -2.889 11.890 3.068 163 HA2 GLY 24 2HA GLY 24 -4.673 13.066 2.141 164 HA3 GLY 24 1HA GLY 24 -3.528 14.227 1.475 165 H ARG 25 H ARG 25 -2.126 11.535 0.545 166 HA ARG 25 HA ARG 25 -3.471 11.520 -2.057 167 HB2 ARG 25 2HB ARG 25 -1.057 11.907 -2.070 168 HB3 ARG 25 1HB ARG 25 -0.797 10.390 -1.213 169 HG2 ARG 25 2HG ARG 25 -1.739 9.127 -3.074 170 HG3 ARG 25 1HG ARG 25 -2.145 10.621 -3.919 171 HD2 ARG 25 2HD ARG 25 0.666 9.837 -3.132 172 HD3 ARG 25 1HD ARG 25 -0.023 9.535 -4.721 173 HE ARG 25 HE ARG 25 -0.387 12.107 -4.683 174 HH11 ARG 25 1HH2 ARG 25 2.236 10.362 -3.234 175 HH12 ARG 25 2HH2 ARG 25 3.359 11.671 -3.375 176 HH21 ARG 25 1HH1 ARG 25 1.091 13.818 -4.873 177 HH22 ARG 25 2HH1 ARG 25 2.715 13.623 -4.303 178 H LEU 26 H LEU 26 -4.175 9.631 -3.052 179 HA LEU 26 HA LEU 26 -5.170 7.621 -1.257 180 HB2 LEU 26 2HB LEU 26 -5.252 7.945 -4.256 181 HB3 LEU 26 1HB LEU 26 -5.951 6.553 -3.431 182 HG LEU 26 HG LEU 26 -6.657 9.431 -2.794 183 HD11 LEU 26 1HD1 LEU 26 -7.681 7.512 -4.815 184 HD12 LEU 26 2HD1 LEU 26 -7.727 9.275 -4.814 185 HD13 LEU 26 3HD1 LEU 26 -8.905 8.361 -3.870 186 HD21 LEU 26 3HD2 LEU 26 -7.217 6.834 -1.584 187 HD22 LEU 26 1HD2 LEU 26 -8.696 7.694 -2.013 188 HD23 LEU 26 2HD2 LEU 26 -7.513 8.450 -0.945 189 H TYR 27 H TYR 27 -4.347 5.688 -0.783 190 HA TYR 27 HA TYR 27 -1.929 4.785 -2.224 191 HB2 TYR 27 2HB TYR 27 -2.634 4.791 0.665 192 HB3 TYR 27 1HB TYR 27 -1.667 3.461 0.026 193 HD1 TYR 27 2HD TYR 27 -1.818 7.170 -0.593 194 HD2 TYR 27 1HD TYR 27 0.605 3.744 0.325 195 HE1 TYR 27 2HE TYR 27 0.214 8.593 -0.601 196 HE2 TYR 27 1HE TYR 27 2.632 5.171 0.308 197 HH TYR 27 HH TYR 27 2.870 8.021 0.752 198 H ARG 28 H ARG 28 -1.612 2.410 -2.226 199 HA ARG 28 HA ARG 28 -4.212 1.076 -2.657 200 HB2 ARG 28 2HB ARG 28 -1.421 0.455 -3.675 201 HB3 ARG 28 1HB ARG 28 -2.821 -0.581 -3.954 202 HG2 ARG 28 2HG ARG 28 -2.897 0.716 -5.871 203 HG3 ARG 28 1HG ARG 28 -3.902 1.692 -4.802 204 HD2 ARG 28 2HD ARG 28 -1.955 3.073 -4.210 205 HD3 ARG 28 1HD ARG 28 -0.930 2.089 -5.251 206 HE ARG 28 HE ARG 28 -1.824 3.191 -7.100 207 HH11 ARG 28 1HH2 ARG 28 -3.670 3.807 -4.239 208 HH12 ARG 28 2HH2 ARG 28 -4.637 5.048 -4.964 209 HH21 ARG 28 1HH1 ARG 28 -3.088 4.817 -8.057 210 HH22 ARG 28 2HH1 ARG 28 -4.307 5.620 -7.125 211 H LEU 29 H LEU 29 -4.816 -0.602 -1.402 212 HA LEU 29 HA LEU 29 -2.951 -1.467 0.707 213 HB2 LEU 29 2HB LEU 29 -5.097 -0.623 1.485 214 HB3 LEU 29 1HB LEU 29 -5.951 -1.768 0.451 215 HG LEU 29 HG LEU 29 -5.043 -3.655 1.699 216 HD11 LEU 29 1HD1 LEU 29 -3.346 -1.480 2.877 217 HD12 LEU 29 2HD1 LEU 29 -2.887 -3.109 2.378 218 HD13 LEU 29 3HD1 LEU 29 -3.759 -2.863 3.891 219 HD21 LEU 29 3HD2 LEU 29 -5.852 -1.669 3.821 220 HD22 LEU 29 1HD2 LEU 29 -6.304 -3.365 3.673 221 HD23 LEU 29 2HD2 LEU 29 -7.014 -2.163 2.593 222 H CYS 30 H CYS 30 -1.739 -3.112 -0.071 223 HA CYS 30 HA CYS 30 -3.146 -5.312 -1.440 224 HB2 CYS 30 2HB CYS 30 -0.924 -5.993 -2.243 225 HB3 CYS 30 1HB CYS 30 -1.317 -4.362 -2.734 226 H CYS 31 H CYS 31 -2.962 -7.467 -0.664 227 HA CYS 31 HA CYS 31 -1.660 -7.679 1.984 228 HB2 CYS 31 2HB CYS 31 -4.087 -9.174 1.007 229 HB3 CYS 31 1HB CYS 31 -3.405 -9.221 2.620 230 H ARG 32 H ARG 32 -0.192 -9.261 2.230 231 HA ARG 32 HA ARG 32 -0.143 -11.489 0.315 232 HB2 ARG 32 2HB ARG 32 2.169 -11.194 -0.202 233 HB3 ARG 32 1HB ARG 32 1.383 -9.639 -0.473 234 HG2 ARG 32 2HG ARG 32 2.035 -9.312 2.105 235 HG3 ARG 32 1HG ARG 32 3.312 -10.442 1.650 236 HD2 ARG 32 2HD ARG 32 3.890 -8.977 -0.267 237 HD3 ARG 32 1HD ARG 32 2.658 -7.834 0.262 238 HE ARG 32 HE ARG 32 4.131 -7.974 2.473 239 HH11 ARG 32 1HH2 ARG 32 5.088 -7.837 -0.852 240 HH12 ARG 32 2HH2 ARG 32 6.586 -7.029 -0.528 241 HH21 ARG 32 1HH1 ARG 32 6.097 -6.918 2.900 242 HH22 ARG 32 2HH1 ARG 32 7.158 -6.510 1.594 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 -2.878 -13.969 5.174 2 H2 ALA 1 2HT ALA 1 -2.322 -13.124 6.539 3 H3 ALA 1 3HT ALA 1 -1.344 -14.306 5.811 4 HA ALA 1 HA ALA 1 -0.503 -12.872 4.364 5 HB1 ALA 1 2HB ALA 1 -1.880 -11.675 2.823 6 HB2 ALA 1 3HB ALA 1 -3.244 -11.665 3.943 7 HB3 ALA 1 1HB ALA 1 -2.747 -13.171 3.172 8 H THR 2 H THR 2 -0.171 -10.436 4.054 9 HA THR 2 HA THR 2 -0.736 -9.003 6.573 10 HB THR 2 HB THR 2 1.795 -8.978 4.907 11 HG1 THR 2 1HG THR 2 1.130 -10.642 6.660 12 HG21 THR 2 3HG2 THR 2 0.657 -7.018 6.717 13 HG22 THR 2 1HG2 THR 2 2.102 -6.903 5.713 14 HG23 THR 2 2HG2 THR 2 2.201 -7.619 7.321 15 H CYS 3 H CYS 3 -2.153 -7.483 6.118 16 HA CYS 3 HA CYS 3 -2.248 -6.222 3.505 17 HB2 CYS 3 2HB CYS 3 -3.906 -5.892 6.012 18 HB3 CYS 3 1HB CYS 3 -4.180 -4.989 4.524 19 H TYR 4 H TYR 4 -1.545 -4.216 3.004 20 HA TYR 4 HA TYR 4 -1.035 -2.202 4.990 21 HB2 TYR 4 2HB TYR 4 1.379 -2.024 4.648 22 HB3 TYR 4 1HB TYR 4 0.972 -3.620 5.278 23 HD1 TYR 4 2HD TYR 4 1.940 -1.726 2.251 24 HD2 TYR 4 1HD TYR 4 1.253 -5.613 3.945 25 HE1 TYR 4 2HE TYR 4 3.002 -2.777 0.271 26 HE2 TYR 4 1HE TYR 4 2.314 -6.665 1.965 27 HH TYR 4 HH TYR 4 4.227 -5.067 -0.156 28 H CYS 5 H CYS 5 -0.601 -0.156 4.067 29 HA CYS 5 HA CYS 5 -1.399 0.024 1.271 30 HB2 CYS 5 2HB CYS 5 -0.809 2.387 3.018 31 HB3 CYS 5 1HB CYS 5 -1.932 2.231 1.684 32 H ARG 6 H ARG 6 -0.189 1.049 -0.331 33 HA ARG 6 HA ARG 6 2.564 1.835 0.333 34 HB2 ARG 6 2HB ARG 6 3.499 0.488 -1.461 35 HB3 ARG 6 1HB ARG 6 2.600 -0.562 -0.368 36 HG2 ARG 6 2HG ARG 6 0.914 -0.944 -1.886 37 HG3 ARG 6 1HG ARG 6 1.141 0.597 -2.710 38 HD2 ARG 6 2HD ARG 6 3.145 -1.665 -2.802 39 HD3 ARG 6 1HD ARG 6 1.902 -1.404 -4.023 40 HE ARG 6 HE ARG 6 3.152 1.005 -3.902 41 HH11 ARG 6 1HH2 ARG 6 4.217 -2.271 -4.224 42 HH12 ARG 6 2HH2 ARG 6 5.613 -1.872 -5.166 43 HH21 ARG 6 1HH1 ARG 6 4.985 1.538 -5.138 44 HH22 ARG 6 2HH1 ARG 6 6.050 0.285 -5.683 45 H THR 7 H THR 7 3.590 3.111 -1.359 46 HA THR 7 HA THR 7 1.670 4.821 -2.716 47 HB THR 7 HB THR 7 3.739 5.645 -1.484 48 HG1 THR 7 1HG THR 7 4.237 6.842 -3.735 49 HG21 THR 7 3HG2 THR 7 5.824 5.123 -2.205 50 HG22 THR 7 1HG2 THR 7 5.368 5.250 -3.904 51 HG23 THR 7 2HG2 THR 7 5.031 3.767 -3.009 52 H GLY 8 H GLY 8 1.011 2.887 -4.083 53 HA2 GLY 8 2HA GLY 8 1.221 3.018 -6.652 54 HA3 GLY 8 1HA GLY 8 2.858 2.446 -6.343 55 H ARG 9 H ARG 9 1.696 0.780 -7.912 56 HA ARG 9 HA ARG 9 -0.099 -1.118 -6.840 57 HB2 ARG 9 2HB ARG 9 0.318 -0.834 -9.249 58 HB3 ARG 9 1HB ARG 9 1.943 -1.490 -9.031 59 HG2 ARG 9 2HG ARG 9 1.041 -3.593 -8.220 60 HG3 ARG 9 1HG ARG 9 -0.600 -2.945 -8.270 61 HD2 ARG 9 2HD ARG 9 -0.438 -2.660 -10.681 62 HD3 ARG 9 1HD ARG 9 1.222 -3.237 -10.660 63 HE ARG 9 HE ARG 9 0.405 -5.440 -10.191 64 HH11 ARG 9 1HH2 ARG 9 -2.058 -3.048 -10.675 65 HH12 ARG 9 2HH2 ARG 9 -3.317 -4.205 -10.943 66 HH21 ARG 9 1HH1 ARG 9 -1.251 -6.956 -10.540 67 HH22 ARG 9 2HH1 ARG 9 -2.862 -6.414 -10.866 68 H CYS 10 H CYS 10 0.374 -3.355 -6.320 69 HA CYS 10 HA CYS 10 2.920 -3.602 -4.835 70 HB2 CYS 10 2HB CYS 10 0.148 -4.608 -4.343 71 HB3 CYS 10 1HB CYS 10 1.511 -5.550 -3.736 72 H ALA 11 H ALA 11 2.910 -6.332 -4.420 73 HA ALA 11 HA ALA 11 3.826 -7.260 -7.015 74 HB1 ALA 11 1HB ALA 11 4.426 -7.840 -4.290 75 HB2 ALA 11 2HB ALA 11 5.244 -8.429 -5.738 76 HB3 ALA 11 3HB ALA 11 3.893 -9.335 -5.056 77 H THR 12 H THR 12 3.191 -9.353 -7.879 78 HA THR 12 HA THR 12 0.410 -9.595 -8.211 79 HB THR 12 HB THR 12 2.605 -11.612 -8.749 80 HG1 THR 12 1HG THR 12 1.346 -10.332 -10.810 81 HG21 THR 12 3HG2 THR 12 0.666 -12.908 -8.793 82 HG22 THR 12 1HG2 THR 12 0.766 -12.353 -10.464 83 HG23 THR 12 2HG2 THR 12 -0.338 -11.565 -9.338 84 H ARG 13 H ARG 13 2.679 -11.384 -6.169 85 HA ARG 13 HA ARG 13 0.926 -13.341 -5.204 86 HB2 ARG 13 2HB ARG 13 3.282 -11.989 -3.866 87 HB3 ARG 13 1HB ARG 13 2.471 -13.420 -3.232 88 HG2 ARG 13 2HG ARG 13 3.459 -13.403 -6.070 89 HG3 ARG 13 1HG ARG 13 4.588 -13.717 -4.752 90 HD2 ARG 13 2HD ARG 13 2.015 -15.243 -5.248 91 HD3 ARG 13 1HD ARG 13 3.630 -15.817 -5.650 92 HE ARG 13 HE ARG 13 2.437 -15.726 -3.012 93 HH11 ARG 13 1HH2 ARG 13 5.343 -15.766 -4.890 94 HH12 ARG 13 2HH2 ARG 13 6.315 -16.438 -3.623 95 HH21 ARG 13 1HH1 ARG 13 3.707 -16.607 -1.347 96 HH22 ARG 13 2HH1 ARG 13 5.390 -16.913 -1.618 97 H GLU 14 H GLU 14 1.329 -9.970 -4.346 98 HA GLU 14 HA GLU 14 -0.144 -10.073 -1.904 99 HB2 GLU 14 2HB GLU 14 -0.036 -7.573 -3.528 100 HB3 GLU 14 1HB GLU 14 0.172 -7.803 -1.792 101 HG2 GLU 14 2HG GLU 14 2.289 -9.211 -2.674 102 HG3 GLU 14 1HG GLU 14 2.156 -8.030 -3.977 103 H SER 15 H SER 15 -2.181 -8.640 -1.687 104 HA SER 15 HA SER 15 -3.992 -9.012 -3.980 105 HB2 SER 15 2HB SER 15 -5.735 -9.709 -2.242 106 HB3 SER 15 1HB SER 15 -4.519 -10.874 -2.731 107 HG SER 15 HG SER 15 -5.024 -10.285 -0.329 108 H LEU 16 H LEU 16 -5.241 -7.338 -4.351 109 HA LEU 16 HA LEU 16 -5.006 -4.991 -2.692 110 HB2 LEU 16 2HB LEU 16 -5.728 -5.517 -5.387 111 HB3 LEU 16 1HB LEU 16 -7.091 -4.692 -4.632 112 HG LEU 16 HG LEU 16 -5.435 -3.100 -5.610 113 HD11 LEU 16 1HD1 LEU 16 -4.932 -2.163 -3.042 114 HD12 LEU 16 2HD1 LEU 16 -6.367 -3.169 -2.839 115 HD13 LEU 16 3HD1 LEU 16 -6.381 -1.835 -3.992 116 HD21 LEU 16 3HD2 LEU 16 -3.557 -4.849 -4.611 117 HD22 LEU 16 1HD2 LEU 16 -3.493 -3.534 -3.434 118 HD23 LEU 16 2HD2 LEU 16 -3.211 -3.204 -5.144 119 H SER 17 H SER 17 -6.325 -4.305 -1.133 120 HA SER 17 HA SER 17 -8.866 -5.765 -0.748 121 HB2 SER 17 2HB SER 17 -8.660 -5.260 1.604 122 HB3 SER 17 1HB SER 17 -7.136 -5.951 1.056 123 HG SER 17 HG SER 17 -7.790 -3.314 1.736 124 H GLY 18 H GLY 18 -7.386 -2.619 -1.085 125 HA2 GLY 18 2HA GLY 18 -9.673 -1.302 -1.959 126 HA3 GLY 18 1HA GLY 18 -9.592 -1.048 -0.217 127 H VAL 19 H VAL 19 -9.445 1.215 -1.440 128 HA VAL 19 HA VAL 19 -6.642 1.869 -2.052 129 HB VAL 19 HB VAL 19 -7.971 2.868 -3.683 130 HG11 VAL 19 1HG1 VAL 19 -10.184 2.477 -3.176 131 HG12 VAL 19 2HG1 VAL 19 -10.119 4.182 -2.728 132 HG13 VAL 19 3HG1 VAL 19 -9.987 2.937 -1.485 133 HG21 VAL 19 3HG2 VAL 19 -6.653 4.534 -2.099 134 HG22 VAL 19 1HG2 VAL 19 -8.277 5.086 -1.692 135 HG23 VAL 19 2HG2 VAL 19 -7.715 5.154 -3.363 136 H CYS 20 H CYS 20 -5.405 2.538 -0.429 137 HA CYS 20 HA CYS 20 -6.487 3.428 2.090 138 HB2 CYS 20 2HB CYS 20 -3.726 3.100 0.956 139 HB3 CYS 20 1HB CYS 20 -3.979 3.854 2.529 140 H GLU 21 H GLU 21 -4.663 5.407 2.815 141 HA GLU 21 HA GLU 21 -4.671 7.577 0.928 142 HB2 GLU 21 2HB GLU 21 -7.050 7.581 1.658 143 HB3 GLU 21 1HB GLU 21 -6.513 7.790 3.326 144 HG2 GLU 21 2HG GLU 21 -5.400 9.893 2.723 145 HG3 GLU 21 1HG GLU 21 -5.885 9.682 1.041 146 H ILE 22 H ILE 22 -2.639 8.205 1.330 147 HA ILE 22 HA ILE 22 -1.902 8.760 4.145 148 HB ILE 22 HB ILE 22 0.110 7.995 2.051 149 HG12 ILE 22 2HG1 ILE 22 -1.671 6.215 2.213 150 HG13 ILE 22 1HG1 ILE 22 -0.073 5.673 2.724 151 HG21 ILE 22 1HG2 ILE 22 -0.001 7.881 5.074 152 HG22 ILE 22 2HG2 ILE 22 0.978 8.974 4.094 153 HG23 ILE 22 3HG2 ILE 22 1.329 7.245 4.108 154 HD11 ILE 22 3HD1 ILE 22 -2.254 6.646 4.579 155 HD12 ILE 22 1HD1 ILE 22 -0.673 6.042 5.065 156 HD13 ILE 22 2HD1 ILE 22 -1.836 4.956 4.303 157 H SER 23 H SER 23 -1.061 10.728 4.578 158 HA SER 23 HA SER 23 -0.483 12.931 4.262 159 HB2 SER 23 2HB SER 23 0.854 13.228 1.976 160 HB3 SER 23 1HB SER 23 1.575 12.446 3.380 161 HG SER 23 HG SER 23 0.632 11.359 0.989 162 H GLY 24 H GLY 24 -3.029 11.825 3.117 163 HA2 GLY 24 2HA GLY 24 -4.855 12.993 2.224 164 HA3 GLY 24 1HA GLY 24 -3.742 14.197 1.580 165 H ARG 25 H ARG 25 -2.149 11.701 0.603 166 HA ARG 25 HA ARG 25 -3.426 11.634 -2.011 167 HB2 ARG 25 2HB ARG 25 -0.987 11.995 -1.842 168 HB3 ARG 25 1HB ARG 25 -0.820 10.412 -1.088 169 HG2 ARG 25 2HG ARG 25 -1.663 9.308 -3.077 170 HG3 ARG 25 1HG ARG 25 -2.033 10.860 -3.830 171 HD2 ARG 25 2HD ARG 25 0.066 10.041 -4.736 172 HD3 ARG 25 1HD ARG 25 0.395 11.438 -3.718 173 HE ARG 25 HE ARG 25 0.602 9.039 -2.198 174 HH11 ARG 25 1HH2 ARG 25 2.169 10.927 -4.641 175 HH12 ARG 25 2HH2 ARG 25 3.761 10.375 -4.241 176 HH21 ARG 25 1HH1 ARG 25 2.687 8.312 -1.668 177 HH22 ARG 25 2HH1 ARG 25 4.055 8.895 -2.558 178 H LEU 26 H LEU 26 -3.920 9.687 -3.122 179 HA LEU 26 HA LEU 26 -5.114 7.700 -1.400 180 HB2 LEU 26 2HB LEU 26 -4.968 8.038 -4.395 181 HB3 LEU 26 1HB LEU 26 -5.741 6.650 -3.631 182 HG LEU 26 HG LEU 26 -6.465 9.512 -2.963 183 HD11 LEU 26 1HD1 LEU 26 -7.795 7.598 -4.906 184 HD12 LEU 26 2HD1 LEU 26 -6.944 9.082 -5.340 185 HD13 LEU 26 3HD1 LEU 26 -8.443 9.163 -4.413 186 HD21 LEU 26 3HD2 LEU 26 -8.576 7.641 -2.587 187 HD22 LEU 26 1HD2 LEU 26 -7.676 8.512 -1.346 188 HD23 LEU 26 2HD2 LEU 26 -7.124 6.927 -1.885 189 H TYR 27 H TYR 27 -4.327 5.771 -0.859 190 HA TYR 27 HA TYR 27 -1.852 4.827 -2.179 191 HB2 TYR 27 2HB TYR 27 -2.629 4.961 0.687 192 HB3 TYR 27 1HB TYR 27 -1.671 3.587 0.142 193 HD1 TYR 27 1HD TYR 27 -1.756 7.280 -0.544 194 HD2 TYR 27 2HD TYR 27 0.610 3.819 0.383 195 HE1 TYR 27 1HE TYR 27 0.298 8.670 -0.544 196 HE2 TYR 27 2HE TYR 27 2.659 5.215 0.379 197 HH TYR 27 HH TYR 27 2.871 8.161 0.795 198 H ARG 28 H ARG 28 -1.592 2.552 -2.411 199 HA ARG 28 HA ARG 28 -4.174 1.179 -2.733 200 HB2 ARG 28 2HB ARG 28 -1.390 0.529 -3.745 201 HB3 ARG 28 1HB ARG 28 -2.813 -0.473 -4.040 202 HG2 ARG 28 2HG ARG 28 -3.919 1.402 -5.173 203 HG3 ARG 28 1HG ARG 28 -2.529 2.436 -4.843 204 HD2 ARG 28 2HD ARG 28 -2.370 1.591 -7.123 205 HD3 ARG 28 1HD ARG 28 -1.096 0.870 -6.145 206 HE ARG 28 HE ARG 28 -2.185 -1.205 -6.315 207 HH11 ARG 28 1HH2 ARG 28 -4.052 1.393 -7.633 208 HH12 ARG 28 2HH2 ARG 28 -5.191 0.357 -8.423 209 HH21 ARG 28 1HH1 ARG 28 -3.677 -2.571 -7.348 210 HH22 ARG 28 2HH1 ARG 28 -4.980 -1.887 -8.263 211 H LEU 29 H LEU 29 -4.751 -0.576 -1.556 212 HA LEU 29 HA LEU 29 -2.893 -1.417 0.574 213 HB2 LEU 29 2HB LEU 29 -5.061 -0.583 1.341 214 HB3 LEU 29 1HB LEU 29 -5.892 -1.754 0.321 215 HG LEU 29 HG LEU 29 -4.936 -3.608 1.592 216 HD11 LEU 29 1HD1 LEU 29 -3.290 -1.383 2.731 217 HD12 LEU 29 2HD1 LEU 29 -2.817 -3.029 2.307 218 HD13 LEU 29 3HD1 LEU 29 -3.705 -2.724 3.798 219 HD21 LEU 29 3HD2 LEU 29 -6.356 -3.388 3.393 220 HD22 LEU 29 1HD2 LEU 29 -6.894 -1.971 2.488 221 HD23 LEU 29 2HD2 LEU 29 -5.745 -1.787 3.813 222 H CYS 30 H CYS 30 -1.726 -3.145 0.026 223 HA CYS 30 HA CYS 30 -3.106 -5.326 -1.415 224 HB2 CYS 30 2HB CYS 30 -0.880 -6.000 -2.234 225 HB3 CYS 30 1HB CYS 30 -1.307 -4.377 -2.742 226 H CYS 31 H CYS 31 -2.892 -7.476 -0.628 227 HA CYS 31 HA CYS 31 -1.554 -7.663 1.999 228 HB2 CYS 31 2HB CYS 31 -4.021 -9.151 1.109 229 HB3 CYS 31 1HB CYS 31 -3.301 -9.160 2.707 230 H ARG 32 H ARG 32 -0.217 -9.382 2.308 231 HA ARG 32 HA ARG 32 -0.189 -11.542 0.314 232 HB2 ARG 32 2HB ARG 32 2.210 -11.348 0.008 233 HB3 ARG 32 1HB ARG 32 1.437 -9.819 -0.410 234 HG2 ARG 32 2HG ARG 32 1.875 -9.284 2.153 235 HG3 ARG 32 1HG ARG 32 3.145 -10.493 1.948 236 HD2 ARG 32 2HD ARG 32 4.004 -9.238 -0.002 237 HD3 ARG 32 1HD ARG 32 2.758 -8.018 0.251 238 HE ARG 32 HE ARG 32 4.191 -8.314 2.656 239 HH11 ARG 32 1HH2 ARG 32 4.644 -7.252 -0.605 240 HH12 ARG 32 2HH2 ARG 32 5.875 -6.102 -0.206 241 HH21 ARG 32 1HH1 ARG 32 5.806 -6.806 3.187 242 HH22 ARG 32 2HH1 ARG 32 6.534 -5.847 1.942 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 -2.124 -13.488 6.563 2 H2 ALA 1 2HT ALA 1 -2.815 -14.144 5.158 3 H3 ALA 1 3HT ALA 1 -3.497 -12.767 5.880 4 HA ALA 1 HA ALA 1 -0.810 -12.911 4.626 5 HB1 ALA 1 2HB ALA 1 -3.517 -12.151 3.663 6 HB2 ALA 1 3HB ALA 1 -2.134 -12.771 2.761 7 HB3 ALA 1 1HB ALA 1 -2.200 -11.068 3.211 8 H THR 2 H THR 2 -0.360 -10.401 4.055 9 HA THR 2 HA THR 2 -0.814 -8.869 6.541 10 HB THR 2 HB THR 2 1.684 -9.087 4.843 11 HG1 THR 2 1HG THR 2 1.013 -10.572 6.693 12 HG21 THR 2 3HG2 THR 2 1.763 -6.839 5.358 13 HG22 THR 2 1HG2 THR 2 2.477 -7.507 6.827 14 HG23 THR 2 2HG2 THR 2 0.780 -7.031 6.809 15 H CYS 3 H CYS 3 -2.244 -7.362 6.013 16 HA CYS 3 HA CYS 3 -2.224 -6.120 3.385 17 HB2 CYS 3 2HB CYS 3 -4.001 -5.690 5.800 18 HB3 CYS 3 1HB CYS 3 -4.226 -4.936 4.227 19 H TYR 4 H TYR 4 -1.498 -4.111 2.920 20 HA TYR 4 HA TYR 4 -1.040 -2.129 4.969 21 HB2 TYR 4 2HB TYR 4 1.370 -1.924 4.626 22 HB3 TYR 4 1HB TYR 4 0.976 -3.543 5.208 23 HD1 TYR 4 1HD TYR 4 1.078 -5.487 3.714 24 HD2 TYR 4 2HD TYR 4 2.108 -1.550 2.336 25 HE1 TYR 4 1HE TYR 4 2.141 -6.471 1.700 26 HE2 TYR 4 2HE TYR 4 3.176 -2.537 0.323 27 HH TYR 4 HH TYR 4 4.204 -5.396 0.002 28 H CYS 5 H CYS 5 -0.521 -0.049 4.087 29 HA CYS 5 HA CYS 5 -1.419 0.235 1.327 30 HB2 CYS 5 2HB CYS 5 -0.647 2.497 3.141 31 HB3 CYS 5 1HB CYS 5 -1.809 2.470 1.842 32 H ARG 6 H ARG 6 -0.196 1.075 -0.327 33 HA ARG 6 HA ARG 6 2.602 1.793 0.251 34 HB2 ARG 6 2HB ARG 6 3.379 0.439 -1.636 35 HB3 ARG 6 1HB ARG 6 2.562 -0.577 -0.449 36 HG2 ARG 6 2HG ARG 6 0.790 -1.011 -1.827 37 HG3 ARG 6 1HG ARG 6 0.857 0.574 -2.596 38 HD2 ARG 6 2HD ARG 6 1.541 -1.424 -4.033 39 HD3 ARG 6 1HD ARG 6 2.652 -0.061 -4.004 40 HE ARG 6 HE ARG 6 3.125 -2.275 -2.127 41 HH11 ARG 6 1HH2 ARG 6 3.942 -0.515 -4.995 42 HH12 ARG 6 2HH2 ARG 6 5.533 -1.189 -5.119 43 HH21 ARG 6 1HH1 ARG 6 5.207 -3.163 -2.288 44 HH22 ARG 6 2HH1 ARG 6 6.248 -2.688 -3.588 45 H THR 7 H THR 7 3.607 3.062 -1.428 46 HA THR 7 HA THR 7 1.718 4.857 -2.707 47 HB THR 7 HB THR 7 3.665 5.821 -1.621 48 HG1 THR 7 1HG THR 7 4.565 6.262 -4.121 49 HG21 THR 7 3HG2 THR 7 5.036 3.700 -3.156 50 HG22 THR 7 1HG2 THR 7 5.461 4.422 -1.605 51 HG23 THR 7 2HG2 THR 7 5.873 5.250 -3.107 52 H GLY 8 H GLY 8 0.999 2.869 -4.036 53 HA2 GLY 8 2HA GLY 8 1.090 3.047 -6.620 54 HA3 GLY 8 1HA GLY 8 2.732 2.454 -6.383 55 H ARG 9 H ARG 9 1.730 0.735 -7.855 56 HA ARG 9 HA ARG 9 -0.118 -1.132 -6.731 57 HB2 ARG 9 2HB ARG 9 0.038 -0.965 -9.122 58 HB3 ARG 9 1HB ARG 9 1.766 -1.311 -9.082 59 HG2 ARG 9 2HG ARG 9 1.451 -3.551 -8.571 60 HG3 ARG 9 1HG ARG 9 -0.139 -3.273 -7.860 61 HD2 ARG 9 2HD ARG 9 -0.236 -4.412 -10.091 62 HD3 ARG 9 1HD ARG 9 -1.112 -2.885 -10.037 63 HE ARG 9 HE ARG 9 1.651 -2.879 -11.048 64 HH11 ARG 9 1HH2 ARG 9 -1.767 -2.622 -11.553 65 HH12 ARG 9 2HH2 ARG 9 -1.618 -1.903 -13.120 66 HH21 ARG 9 1HH1 ARG 9 1.848 -1.938 -13.106 67 HH22 ARG 9 2HH1 ARG 9 0.425 -1.517 -14.000 68 H CYS 10 H CYS 10 0.351 -3.340 -6.178 69 HA CYS 10 HA CYS 10 2.959 -3.595 -4.821 70 HB2 CYS 10 2HB CYS 10 0.221 -4.673 -4.296 71 HB3 CYS 10 1HB CYS 10 1.617 -5.585 -3.733 72 H ALA 11 H ALA 11 3.005 -6.334 -4.464 73 HA ALA 11 HA ALA 11 3.873 -7.197 -7.096 74 HB1 ALA 11 1HB ALA 11 5.362 -8.293 -5.834 75 HB2 ALA 11 2HB ALA 11 4.060 -9.331 -5.254 76 HB3 ALA 11 3HB ALA 11 4.481 -7.866 -4.368 77 H THR 12 H THR 12 3.284 -9.366 -7.917 78 HA THR 12 HA THR 12 0.507 -9.619 -8.269 79 HB THR 12 HB THR 12 2.841 -11.428 -8.831 80 HG1 THR 12 1HG THR 12 1.082 -9.771 -10.252 81 HG21 THR 12 3HG2 THR 12 -0.102 -12.001 -9.222 82 HG22 THR 12 1HG2 THR 12 1.065 -12.953 -8.303 83 HG23 THR 12 2HG2 THR 12 1.182 -12.873 -10.061 84 H ARG 13 H ARG 13 2.763 -11.378 -6.183 85 HA ARG 13 HA ARG 13 0.998 -13.305 -5.183 86 HB2 ARG 13 2HB ARG 13 3.276 -11.939 -3.726 87 HB3 ARG 13 1HB ARG 13 2.544 -13.486 -3.298 88 HG2 ARG 13 2HG ARG 13 3.907 -14.543 -4.739 89 HG3 ARG 13 1HG ARG 13 3.252 -13.583 -6.067 90 HD2 ARG 13 2HD ARG 13 4.858 -11.842 -5.708 91 HD3 ARG 13 1HD ARG 13 5.414 -12.577 -4.205 92 HE ARG 13 HE ARG 13 6.676 -14.090 -5.464 93 HH11 ARG 13 1HH2 ARG 13 4.470 -12.297 -7.436 94 HH12 ARG 13 2HH2 ARG 13 5.159 -12.832 -8.933 95 HH21 ARG 13 1HH1 ARG 13 7.583 -14.797 -7.421 96 HH22 ARG 13 2HH1 ARG 13 6.921 -14.248 -8.924 97 H GLU 14 H GLU 14 1.373 -9.914 -4.425 98 HA GLU 14 HA GLU 14 -0.105 -9.984 -1.971 99 HB2 GLU 14 2HB GLU 14 0.066 -7.486 -3.591 100 HB3 GLU 14 1HB GLU 14 0.282 -7.729 -1.857 101 HG2 GLU 14 2HG GLU 14 2.366 -9.164 -2.712 102 HG3 GLU 14 1HG GLU 14 2.245 -8.039 -4.063 103 H SER 15 H SER 15 -2.158 -8.734 -1.691 104 HA SER 15 HA SER 15 -3.932 -8.968 -4.042 105 HB2 SER 15 2HB SER 15 -5.697 -9.712 -2.330 106 HB3 SER 15 1HB SER 15 -4.481 -10.862 -2.837 107 HG SER 15 HG SER 15 -3.724 -9.326 -0.713 108 H LEU 16 H LEU 16 -5.215 -7.288 -4.362 109 HA LEU 16 HA LEU 16 -4.968 -4.972 -2.653 110 HB2 LEU 16 2HB LEU 16 -5.750 -5.479 -5.358 111 HB3 LEU 16 1HB LEU 16 -7.044 -4.587 -4.561 112 HG LEU 16 HG LEU 16 -5.295 -3.108 -5.600 113 HD11 LEU 16 1HD1 LEU 16 -6.523 -2.947 -3.066 114 HD12 LEU 16 2HD1 LEU 16 -5.879 -1.611 -4.019 115 HD13 LEU 16 3HD1 LEU 16 -4.861 -2.411 -2.822 116 HD21 LEU 16 3HD2 LEU 16 -3.379 -3.485 -3.429 117 HD22 LEU 16 1HD2 LEU 16 -3.094 -3.407 -5.169 118 HD23 LEU 16 2HD2 LEU 16 -3.544 -4.938 -4.418 119 H SER 17 H SER 17 -6.306 -4.282 -1.115 120 HA SER 17 HA SER 17 -8.830 -5.772 -0.736 121 HB2 SER 17 2HB SER 17 -8.616 -5.302 1.630 122 HB3 SER 17 1HB SER 17 -7.110 -6.009 1.058 123 HG SER 17 HG SER 17 -6.643 -3.583 0.684 124 H GLY 18 H GLY 18 -7.370 -2.624 -1.053 125 HA2 GLY 18 2HA GLY 18 -9.694 -1.302 -1.834 126 HA3 GLY 18 1HA GLY 18 -9.535 -1.061 -0.097 127 H VAL 19 H VAL 19 -9.440 1.213 -1.307 128 HA VAL 19 HA VAL 19 -6.670 1.865 -2.055 129 HB VAL 19 HB VAL 19 -8.235 2.805 -3.573 130 HG11 VAL 19 1HG1 VAL 19 -10.382 2.998 -2.921 131 HG12 VAL 19 2HG1 VAL 19 -9.935 4.449 -2.027 132 HG13 VAL 19 3HG1 VAL 19 -9.920 2.879 -1.224 133 HG21 VAL 19 3HG2 VAL 19 -6.493 4.390 -2.703 134 HG22 VAL 19 1HG2 VAL 19 -7.674 4.985 -1.538 135 HG23 VAL 19 2HG2 VAL 19 -7.954 5.202 -3.264 136 H CYS 20 H CYS 20 -5.347 2.499 -0.491 137 HA CYS 20 HA CYS 20 -6.288 3.345 2.100 138 HB2 CYS 20 2HB CYS 20 -3.640 2.856 0.817 139 HB3 CYS 20 1HB CYS 20 -3.705 3.788 2.312 140 H GLU 21 H GLU 21 -5.085 5.331 3.076 141 HA GLU 21 HA GLU 21 -4.936 7.555 1.157 142 HB2 GLU 21 2HB GLU 21 -6.350 8.154 3.692 143 HB3 GLU 21 1HB GLU 21 -6.635 8.772 2.065 144 HG2 GLU 21 2HG GLU 21 -8.524 7.400 2.597 145 HG3 GLU 21 1HG GLU 21 -7.537 6.470 1.472 146 H ILE 22 H ILE 22 -2.878 8.179 1.442 147 HA ILE 22 HA ILE 22 -1.992 8.741 4.209 148 HB ILE 22 HB ILE 22 -0.342 7.464 2.013 149 HG12 ILE 22 2HG1 ILE 22 -1.034 6.326 4.730 150 HG13 ILE 22 1HG1 ILE 22 -2.062 6.047 3.324 151 HG21 ILE 22 1HG2 ILE 22 0.938 7.361 4.539 152 HG22 ILE 22 2HG2 ILE 22 0.382 9.024 4.335 153 HG23 ILE 22 3HG2 ILE 22 1.437 8.291 3.126 154 HD11 ILE 22 3HD1 ILE 22 0.768 5.586 2.755 155 HD12 ILE 22 1HD1 ILE 22 -0.627 4.553 2.447 156 HD13 ILE 22 2HD1 ILE 22 0.149 4.536 4.031 157 H SER 23 H SER 23 -0.831 10.605 4.485 158 HA SER 23 HA SER 23 -0.145 12.753 4.028 159 HB2 SER 23 2HB SER 23 1.061 12.842 1.657 160 HB3 SER 23 1HB SER 23 1.803 12.042 3.039 161 HG SER 23 HG SER 23 1.851 10.464 1.598 162 H GLY 24 H GLY 24 -2.835 11.760 3.051 163 HA2 GLY 24 2HA GLY 24 -4.631 13.008 2.212 164 HA3 GLY 24 1HA GLY 24 -3.484 14.140 1.503 165 H ARG 25 H ARG 25 -2.051 11.597 0.460 166 HA ARG 25 HA ARG 25 -3.534 11.511 -2.053 167 HB2 ARG 25 2HB ARG 25 -1.157 11.924 -2.243 168 HB3 ARG 25 1HB ARG 25 -0.796 10.488 -1.288 169 HG2 ARG 25 2HG ARG 25 -1.811 9.063 -3.016 170 HG3 ARG 25 1HG ARG 25 -2.214 10.491 -3.968 171 HD2 ARG 25 2HD ARG 25 -0.169 9.559 -4.862 172 HD3 ARG 25 1HD ARG 25 0.232 11.059 -4.030 173 HE ARG 25 HE ARG 25 0.478 8.876 -2.234 174 HH11 ARG 25 1HH2 ARG 25 1.939 10.327 -5.017 175 HH12 ARG 25 2HH2 ARG 25 3.533 9.763 -4.645 176 HH21 ARG 25 1HH1 ARG 25 2.567 8.130 -1.742 177 HH22 ARG 25 2HH1 ARG 25 3.890 8.519 -2.791 178 H LEU 26 H LEU 26 -4.327 9.647 -2.990 179 HA LEU 26 HA LEU 26 -5.215 7.616 -1.186 180 HB2 LEU 26 2HB LEU 26 -6.366 6.695 -3.049 181 HB3 LEU 26 1HB LEU 26 -6.417 8.443 -3.275 182 HG LEU 26 HG LEU 26 -4.100 7.896 -4.552 183 HD11 LEU 26 1HD1 LEU 26 -5.766 5.582 -5.458 184 HD12 LEU 26 2HD1 LEU 26 -4.788 5.377 -4.004 185 HD13 LEU 26 3HD1 LEU 26 -4.017 5.801 -5.533 186 HD21 LEU 26 3HD2 LEU 26 -5.327 8.164 -6.596 187 HD22 LEU 26 1HD2 LEU 26 -6.206 9.074 -5.369 188 HD23 LEU 26 2HD2 LEU 26 -6.790 7.491 -5.880 189 H TYR 27 H TYR 27 -4.360 5.690 -0.720 190 HA TYR 27 HA TYR 27 -1.952 4.826 -2.201 191 HB2 TYR 27 2HB TYR 27 -2.633 4.799 0.688 192 HB3 TYR 27 1HB TYR 27 -1.651 3.490 0.032 193 HD1 TYR 27 1HD TYR 27 -1.876 7.193 -0.539 194 HD2 TYR 27 2HD TYR 27 0.626 3.811 0.307 195 HE1 TYR 27 1HE TYR 27 0.119 8.663 -0.547 196 HE2 TYR 27 2HE TYR 27 2.623 5.282 0.293 197 HH TYR 27 HH TYR 27 2.934 7.956 0.765 198 H ARG 28 H ARG 28 -1.607 2.476 -2.288 199 HA ARG 28 HA ARG 28 -4.182 1.092 -2.688 200 HB2 ARG 28 2HB ARG 28 -1.393 0.569 -3.748 201 HB3 ARG 28 1HB ARG 28 -2.738 -0.553 -3.972 202 HG2 ARG 28 2HG ARG 28 -4.032 1.209 -5.101 203 HG3 ARG 28 1HG ARG 28 -2.707 2.347 -4.858 204 HD2 ARG 28 2HD ARG 28 -1.224 0.933 -6.213 205 HD3 ARG 28 1HD ARG 28 -2.522 -0.237 -6.433 206 HE ARG 28 HE ARG 28 -2.295 2.374 -7.726 207 HH11 ARG 28 1HH2 ARG 28 -4.190 -0.418 -6.956 208 HH12 ARG 28 2HH2 ARG 28 -5.324 -0.174 -8.244 209 HH21 ARG 28 1HH1 ARG 28 -3.780 2.699 -9.418 210 HH22 ARG 28 2HH1 ARG 28 -5.092 1.589 -9.636 211 H LEU 29 H LEU 29 -4.757 -0.591 -1.438 212 HA LEU 29 HA LEU 29 -2.862 -1.457 0.640 213 HB2 LEU 29 2HB LEU 29 -5.005 -0.616 1.457 214 HB3 LEU 29 1HB LEU 29 -5.868 -1.768 0.437 215 HG LEU 29 HG LEU 29 -4.891 -3.650 1.659 216 HD11 LEU 29 1HD1 LEU 29 -2.772 -3.083 2.366 217 HD12 LEU 29 2HD1 LEU 29 -3.644 -2.797 3.871 218 HD13 LEU 29 3HD1 LEU 29 -3.235 -1.443 2.815 219 HD21 LEU 29 3HD2 LEU 29 -6.275 -3.460 3.498 220 HD22 LEU 29 1HD2 LEU 29 -6.864 -2.076 2.578 221 HD23 LEU 29 2HD2 LEU 29 -5.711 -1.835 3.891 222 H CYS 30 H CYS 30 -1.677 -3.135 -0.052 223 HA CYS 30 HA CYS 30 -3.085 -5.322 -1.436 224 HB2 CYS 30 2HB CYS 30 -0.882 -6.009 -2.271 225 HB3 CYS 30 1HB CYS 30 -1.267 -4.368 -2.746 226 H CYS 31 H CYS 31 -2.895 -7.467 -0.660 227 HA CYS 31 HA CYS 31 -1.590 -7.683 1.982 228 HB2 CYS 31 2HB CYS 31 -3.997 -9.217 1.024 229 HB3 CYS 31 1HB CYS 31 -3.330 -9.198 2.642 230 H ARG 32 H ARG 32 -0.211 -9.349 2.301 231 HA ARG 32 HA ARG 32 -0.108 -11.531 0.341 232 HB2 ARG 32 2HB ARG 32 2.271 -11.254 -0.017 233 HB3 ARG 32 1HB ARG 32 1.434 -9.768 -0.460 234 HG2 ARG 32 2HG ARG 32 1.908 -9.135 2.067 235 HG3 ARG 32 1HG ARG 32 3.206 -10.318 1.887 236 HD2 ARG 32 2HD ARG 32 3.999 -9.106 -0.129 237 HD3 ARG 32 1HD ARG 32 2.735 -7.903 0.125 238 HE ARG 32 HE ARG 32 3.961 -7.048 1.937 239 HH11 ARG 32 1HH2 ARG 32 5.292 -9.999 0.716 240 HH12 ARG 32 2HH2 ARG 32 6.774 -9.861 1.603 241 HH21 ARG 32 1HH1 ARG 32 5.905 -6.860 3.106 242 HH22 ARG 32 2HH1 ARG 32 7.120 -8.084 2.956 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 -3.047 -13.683 5.033 2 H2 ALA 1 2HT ALA 1 -2.540 -12.821 6.406 3 H3 ALA 1 3HT ALA 1 -1.608 -14.114 5.820 4 HA ALA 1 HA ALA 1 -0.544 -12.844 4.361 5 HB1 ALA 1 2HB ALA 1 -1.997 -12.637 2.615 6 HB2 ALA 1 3HB ALA 1 -2.181 -10.987 3.209 7 HB3 ALA 1 1HB ALA 1 -3.351 -12.224 3.668 8 H THR 2 H THR 2 -0.141 -10.352 3.908 9 HA THR 2 HA THR 2 -0.511 -8.899 6.457 10 HB THR 2 HB THR 2 1.909 -8.972 4.635 11 HG1 THR 2 1HG THR 2 1.278 -9.944 7.191 12 HG21 THR 2 3HG2 THR 2 2.592 -7.561 6.907 13 HG22 THR 2 1HG2 THR 2 0.963 -6.978 6.563 14 HG23 THR 2 2HG2 THR 2 2.225 -6.848 5.337 15 H CYS 3 H CYS 3 -1.981 -7.404 6.045 16 HA CYS 3 HA CYS 3 -2.160 -6.096 3.462 17 HB2 CYS 3 2HB CYS 3 -3.724 -5.717 6.024 18 HB3 CYS 3 1HB CYS 3 -4.065 -4.905 4.502 19 H TYR 4 H TYR 4 -1.492 -4.073 2.968 20 HA TYR 4 HA TYR 4 -0.870 -2.109 4.974 21 HB2 TYR 4 2HB TYR 4 1.526 -1.929 4.494 22 HB3 TYR 4 1HB TYR 4 1.140 -3.526 5.136 23 HD1 TYR 4 2HD TYR 4 1.943 -1.623 2.063 24 HD2 TYR 4 1HD TYR 4 1.349 -5.512 3.788 25 HE1 TYR 4 2HE TYR 4 2.889 -2.675 0.025 26 HE2 TYR 4 1HE TYR 4 2.293 -6.560 1.747 27 HH TYR 4 HH TYR 4 3.676 -6.039 -0.111 28 H CYS 5 H CYS 5 -0.400 -0.041 4.064 29 HA CYS 5 HA CYS 5 -1.401 0.233 1.337 30 HB2 CYS 5 2HB CYS 5 -0.599 2.481 3.175 31 HB3 CYS 5 1HB CYS 5 -1.735 2.502 1.844 32 H ARG 6 H ARG 6 -0.225 1.021 -0.365 33 HA ARG 6 HA ARG 6 2.584 1.769 0.117 34 HB2 ARG 6 2HB ARG 6 3.336 0.383 -1.723 35 HB3 ARG 6 1HB ARG 6 2.453 -0.624 -0.579 36 HG2 ARG 6 2HG ARG 6 0.676 -0.944 -2.001 37 HG3 ARG 6 1HG ARG 6 0.883 0.613 -2.802 38 HD2 ARG 6 2HD ARG 6 2.900 -1.606 -3.091 39 HD3 ARG 6 1HD ARG 6 1.500 -1.475 -4.150 40 HE ARG 6 HE ARG 6 2.445 0.924 -4.523 41 HH11 ARG 6 1HH2 ARG 6 4.248 -1.983 -3.975 42 HH12 ARG 6 2HH2 ARG 6 5.635 -1.453 -4.865 43 HH21 ARG 6 1HH1 ARG 6 4.263 1.620 -5.695 44 HH22 ARG 6 2HH1 ARG 6 5.643 0.584 -5.839 45 H THR 7 H THR 7 3.536 3.014 -1.624 46 HA THR 7 HA THR 7 1.573 4.756 -2.895 47 HB THR 7 HB THR 7 3.414 5.873 -1.836 48 HG1 THR 7 1HG THR 7 4.345 5.990 -4.438 49 HG21 THR 7 3HG2 THR 7 5.022 3.807 -3.300 50 HG22 THR 7 1HG2 THR 7 5.135 4.322 -1.617 51 HG23 THR 7 2HG2 THR 7 5.766 5.355 -2.900 52 H GLY 8 H GLY 8 1.008 2.649 -4.180 53 HA2 GLY 8 2HA GLY 8 1.149 2.860 -6.793 54 HA3 GLY 8 1HA GLY 8 2.779 2.264 -6.491 55 H ARG 9 H ARG 9 1.748 0.549 -7.997 56 HA ARG 9 HA ARG 9 -0.124 -1.305 -6.920 57 HB2 ARG 9 2HB ARG 9 0.428 -0.957 -9.362 58 HB3 ARG 9 1HB ARG 9 1.913 -1.864 -9.069 59 HG2 ARG 9 2HG ARG 9 0.642 -3.785 -8.298 60 HG3 ARG 9 1HG ARG 9 -0.866 -2.881 -8.435 61 HD2 ARG 9 2HD ARG 9 -0.618 -4.293 -10.388 62 HD3 ARG 9 1HD ARG 9 -0.438 -2.607 -10.862 63 HE ARG 9 HE ARG 9 2.008 -4.127 -10.289 64 HH11 ARG 9 1HH2 ARG 9 -0.185 -2.697 -12.557 65 HH12 ARG 9 2HH2 ARG 9 0.949 -2.705 -13.866 66 HH21 ARG 9 1HH1 ARG 9 3.497 -4.139 -12.002 67 HH22 ARG 9 2HH1 ARG 9 3.033 -3.520 -13.552 68 H CYS 10 H CYS 10 0.316 -3.517 -6.329 69 HA CYS 10 HA CYS 10 2.888 -3.783 -4.896 70 HB2 CYS 10 2HB CYS 10 0.116 -4.772 -4.352 71 HB3 CYS 10 1HB CYS 10 1.491 -5.671 -3.718 72 H ALA 11 H ALA 11 2.892 -6.488 -4.435 73 HA ALA 11 HA ALA 11 3.755 -7.482 -7.012 74 HB1 ALA 11 1HB ALA 11 3.746 -9.535 -5.027 75 HB2 ALA 11 2HB ALA 11 4.328 -8.045 -4.283 76 HB3 ALA 11 3HB ALA 11 5.128 -8.684 -5.718 77 H THR 12 H THR 12 3.053 -9.534 -7.893 78 HA THR 12 HA THR 12 0.264 -9.711 -8.204 79 HB THR 12 HB THR 12 2.516 -11.612 -8.850 80 HG1 THR 12 1HG THR 12 0.716 -10.298 -10.576 81 HG21 THR 12 3HG2 THR 12 -0.412 -12.056 -8.852 82 HG22 THR 12 1HG2 THR 12 0.905 -13.226 -8.775 83 HG23 THR 12 2HG2 THR 12 0.434 -12.530 -10.326 84 H ARG 13 H ARG 13 2.515 -11.553 -6.193 85 HA ARG 13 HA ARG 13 0.723 -13.479 -5.227 86 HB2 ARG 13 2HB ARG 13 3.100 -12.215 -3.836 87 HB3 ARG 13 1HB ARG 13 2.296 -13.700 -3.329 88 HG2 ARG 13 2HG ARG 13 3.434 -13.363 -6.109 89 HG3 ARG 13 1HG ARG 13 4.402 -13.980 -4.772 90 HD2 ARG 13 2HD ARG 13 2.630 -15.734 -4.404 91 HD3 ARG 13 1HD ARG 13 1.846 -15.177 -5.878 92 HE ARG 13 HE ARG 13 3.679 -16.024 -7.132 93 HH11 ARG 13 1HH2 ARG 13 3.928 -16.518 -3.713 94 HH12 ARG 13 2HH2 ARG 13 5.156 -17.734 -3.842 95 HH21 ARG 13 1HH1 ARG 13 5.290 -17.613 -7.303 96 HH22 ARG 13 2HH1 ARG 13 5.927 -18.351 -5.872 97 H GLU 14 H GLU 14 1.212 -10.137 -4.337 98 HA GLU 14 HA GLU 14 -0.229 -10.231 -1.867 99 HB2 GLU 14 2HB GLU 14 -0.083 -7.721 -3.472 100 HB3 GLU 14 1HB GLU 14 0.157 -7.972 -1.745 101 HG2 GLU 14 2HG GLU 14 2.241 -9.372 -2.558 102 HG3 GLU 14 1HG GLU 14 2.080 -8.361 -3.991 103 H SER 15 H SER 15 -2.209 -8.731 -1.623 104 HA SER 15 HA SER 15 -4.077 -9.105 -3.872 105 HB2 SER 15 2HB SER 15 -5.785 -9.604 -1.959 106 HB3 SER 15 1HB SER 15 -4.747 -10.865 -2.595 107 HG SER 15 HG SER 15 -3.319 -9.788 -0.763 108 H LEU 16 H LEU 16 -5.223 -7.365 -4.309 109 HA LEU 16 HA LEU 16 -4.907 -4.995 -2.679 110 HB2 LEU 16 2HB LEU 16 -5.506 -5.519 -5.394 111 HB3 LEU 16 1HB LEU 16 -6.895 -4.660 -4.729 112 HG LEU 16 HG LEU 16 -5.157 -3.112 -5.625 113 HD11 LEU 16 1HD1 LEU 16 -6.162 -1.805 -4.079 114 HD12 LEU 16 2HD1 LEU 16 -4.790 -2.167 -3.030 115 HD13 LEU 16 3HD1 LEU 16 -6.261 -3.133 -2.922 116 HD21 LEU 16 3HD2 LEU 16 -2.970 -3.392 -5.136 117 HD22 LEU 16 1HD2 LEU 16 -3.409 -4.901 -4.333 118 HD23 LEU 16 2HD2 LEU 16 -3.307 -3.405 -3.404 119 H SER 17 H SER 17 -6.217 -4.300 -1.131 120 HA SER 17 HA SER 17 -8.836 -5.624 -0.835 121 HB2 SER 17 2HB SER 17 -8.696 -5.150 1.493 122 HB3 SER 17 1HB SER 17 -7.101 -5.728 1.029 123 HG SER 17 HG SER 17 -7.974 -3.079 1.495 124 H GLY 18 H GLY 18 -7.255 -2.540 -1.239 125 HA2 GLY 18 2HA GLY 18 -9.437 -1.175 -2.255 126 HA3 GLY 18 1HA GLY 18 -9.472 -0.896 -0.517 127 H VAL 19 H VAL 19 -9.183 1.348 -1.752 128 HA VAL 19 HA VAL 19 -6.332 1.921 -2.205 129 HB VAL 19 HB VAL 19 -7.938 2.777 -3.860 130 HG11 VAL 19 1HG1 VAL 19 -9.886 3.797 -3.300 131 HG12 VAL 19 2HG1 VAL 19 -9.107 4.801 -2.078 132 HG13 VAL 19 3HG1 VAL 19 -9.598 3.156 -1.683 133 HG21 VAL 19 3HG2 VAL 19 -5.914 4.190 -2.636 134 HG22 VAL 19 1HG2 VAL 19 -7.269 5.312 -2.520 135 HG23 VAL 19 2HG2 VAL 19 -6.760 4.706 -4.096 136 H CYS 20 H CYS 20 -5.167 2.551 -0.518 137 HA CYS 20 HA CYS 20 -6.320 3.396 1.965 138 HB2 CYS 20 2HB CYS 20 -3.556 3.068 0.877 139 HB3 CYS 20 1HB CYS 20 -3.790 3.936 2.392 140 H GLU 21 H GLU 21 -4.903 5.417 2.945 141 HA GLU 21 HA GLU 21 -4.849 7.648 1.075 142 HB2 GLU 21 2HB GLU 21 -7.224 7.526 1.785 143 HB3 GLU 21 1HB GLU 21 -6.708 7.680 3.465 144 HG2 GLU 21 2HG GLU 21 -5.689 9.858 2.977 145 HG3 GLU 21 1HG GLU 21 -6.134 9.701 1.278 146 H ILE 22 H ILE 22 -2.809 8.271 1.523 147 HA ILE 22 HA ILE 22 -2.139 8.788 4.362 148 HB ILE 22 HB ILE 22 -0.060 8.201 2.280 149 HG12 ILE 22 2HG1 ILE 22 -1.752 6.342 2.278 150 HG13 ILE 22 1HG1 ILE 22 -0.160 5.833 2.845 151 HG21 ILE 22 1HG2 ILE 22 -0.258 7.993 5.290 152 HG22 ILE 22 2HG2 ILE 22 0.777 9.070 4.354 153 HG23 ILE 22 3HG2 ILE 22 1.092 7.335 4.367 154 HD11 ILE 22 3HD1 ILE 22 -0.904 6.118 5.177 155 HD12 ILE 22 1HD1 ILE 22 -1.925 4.966 4.315 156 HD13 ILE 22 2HD1 ILE 22 -2.498 6.609 4.604 157 H SER 23 H SER 23 -1.473 10.799 4.856 158 HA SER 23 HA SER 23 -1.042 13.045 4.608 159 HB2 SER 23 2HB SER 23 0.483 13.456 2.463 160 HB3 SER 23 1HB SER 23 1.114 12.685 3.914 161 HG SER 23 HG SER 23 0.981 10.741 2.958 162 H GLY 24 H GLY 24 -3.455 11.932 3.361 163 HA2 GLY 24 2HA GLY 24 -5.235 12.976 2.275 164 HA3 GLY 24 1HA GLY 24 -4.128 14.227 1.716 165 H ARG 25 H ARG 25 -2.372 11.771 0.888 166 HA ARG 25 HA ARG 25 -3.404 11.671 -1.830 167 HB2 ARG 25 2HB ARG 25 -0.997 12.056 -1.439 168 HB3 ARG 25 1HB ARG 25 -0.887 10.481 -0.655 169 HG2 ARG 25 2HG ARG 25 -1.644 9.391 -2.740 170 HG3 ARG 25 1HG ARG 25 -1.740 10.968 -3.525 171 HD2 ARG 25 2HD ARG 25 0.693 11.295 -3.051 172 HD3 ARG 25 1HD ARG 25 0.755 9.656 -2.411 173 HE ARG 25 HE ARG 25 -0.348 9.606 -5.020 174 HH11 ARG 25 1HH2 ARG 25 2.604 10.165 -3.303 175 HH12 ARG 25 2HH2 ARG 25 3.621 9.639 -4.603 176 HH21 ARG 25 1HH1 ARG 25 0.980 8.913 -6.729 177 HH22 ARG 25 2HH1 ARG 25 2.701 8.930 -6.543 178 H LEU 26 H LEU 26 -3.694 9.674 -2.980 179 HA LEU 26 HA LEU 26 -4.965 7.652 -1.315 180 HB2 LEU 26 2HB LEU 26 -4.913 8.303 -4.228 181 HB3 LEU 26 1HB LEU 26 -5.334 6.661 -3.741 182 HG LEU 26 HG LEU 26 -7.010 7.709 -2.131 183 HD11 LEU 26 1HD1 LEU 26 -7.740 10.040 -2.935 184 HD12 LEU 26 2HD1 LEU 26 -6.164 10.133 -3.722 185 HD13 LEU 26 3HD1 LEU 26 -6.267 9.956 -1.970 186 HD21 LEU 26 3HD2 LEU 26 -7.796 6.679 -4.168 187 HD22 LEU 26 1HD2 LEU 26 -7.294 8.069 -5.128 188 HD23 LEU 26 2HD2 LEU 26 -8.639 8.218 -3.999 189 H TYR 27 H TYR 27 -4.122 5.743 -0.794 190 HA TYR 27 HA TYR 27 -1.615 4.894 -2.117 191 HB2 TYR 27 2HB TYR 27 -2.440 4.909 0.737 192 HB3 TYR 27 1HB TYR 27 -1.422 3.594 0.156 193 HD1 TYR 27 2HD TYR 27 -1.666 7.322 -0.186 194 HD2 TYR 27 1HD TYR 27 0.867 3.886 0.247 195 HE1 TYR 27 2HE TYR 27 0.331 8.795 -0.103 196 HE2 TYR 27 1HE TYR 27 2.861 5.359 0.313 197 HH TYR 27 HH TYR 27 3.497 7.620 -0.428 198 H ARG 28 H ARG 28 -1.279 2.601 -2.330 199 HA ARG 28 HA ARG 28 -3.813 1.194 -2.815 200 HB2 ARG 28 2HB ARG 28 -1.533 1.407 -4.335 201 HB3 ARG 28 1HB ARG 28 -1.285 -0.145 -3.534 202 HG2 ARG 28 2HG ARG 28 -2.499 -0.729 -5.464 203 HG3 ARG 28 1HG ARG 28 -3.742 -0.639 -4.214 204 HD2 ARG 28 2HD ARG 28 -4.266 1.674 -4.899 205 HD3 ARG 28 1HD ARG 28 -3.029 1.584 -6.148 206 HE ARG 28 HE ARG 28 -4.719 -0.558 -6.615 207 HH11 ARG 28 1HH2 ARG 28 -4.948 2.886 -6.370 208 HH12 ARG 28 2HH2 ARG 28 -6.265 3.017 -7.487 209 HH21 ARG 28 1HH1 ARG 28 -6.446 -0.396 -8.082 210 HH22 ARG 28 2HH1 ARG 28 -7.113 1.158 -8.456 211 H LEU 29 H LEU 29 -4.465 -0.505 -1.619 212 HA LEU 29 HA LEU 29 -2.684 -1.405 0.553 213 HB2 LEU 29 2HB LEU 29 -4.783 -0.499 1.344 214 HB3 LEU 29 1HB LEU 29 -5.693 -1.541 0.253 215 HG LEU 29 HG LEU 29 -4.937 -3.533 1.434 216 HD11 LEU 29 1HD1 LEU 29 -3.097 -1.538 2.709 217 HD12 LEU 29 2HD1 LEU 29 -2.754 -3.169 2.137 218 HD13 LEU 29 3HD1 LEU 29 -3.611 -2.933 3.659 219 HD21 LEU 29 3HD2 LEU 29 -6.278 -3.260 3.307 220 HD22 LEU 29 1HD2 LEU 29 -6.754 -1.822 2.401 221 HD23 LEU 29 2HD2 LEU 29 -5.578 -1.693 3.709 222 H CYS 30 H CYS 30 -1.635 -3.233 0.129 223 HA CYS 30 HA CYS 30 -3.087 -5.352 -1.332 224 HB2 CYS 30 2HB CYS 30 -0.853 -6.135 -2.106 225 HB3 CYS 30 1HB CYS 30 -1.305 -4.557 -2.733 226 H CYS 31 H CYS 31 -2.952 -7.491 -0.523 227 HA CYS 31 HA CYS 31 -1.621 -7.696 2.103 228 HB2 CYS 31 2HB CYS 31 -4.103 -9.137 1.177 229 HB3 CYS 31 1HB CYS 31 -3.389 -9.199 2.780 230 H ARG 32 H ARG 32 -0.308 -9.414 2.451 231 HA ARG 32 HA ARG 32 -0.285 -11.622 0.526 232 HB2 ARG 32 2HB ARG 32 2.105 -11.420 0.126 233 HB3 ARG 32 1HB ARG 32 1.291 -9.930 -0.355 234 HG2 ARG 32 2HG ARG 32 1.810 -9.167 2.095 235 HG3 ARG 32 1HG ARG 32 3.028 -10.444 2.040 236 HD2 ARG 32 2HD ARG 32 3.941 -9.448 -0.040 237 HD3 ARG 32 1HD ARG 32 2.759 -8.148 0.088 238 HE ARG 32 HE ARG 32 4.162 -8.244 2.514 239 HH11 ARG 32 1HH2 ARG 32 4.734 -7.635 -0.844 240 HH12 ARG 32 2HH2 ARG 32 6.043 -6.538 -0.564 241 HH21 ARG 32 1HH1 ARG 32 5.881 -6.807 2.890 242 HH22 ARG 32 2HH1 ARG 32 6.694 -6.068 1.550 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 -2.714 -14.005 4.695 2 H2 ALA 1 2HT ALA 1 -2.792 -12.903 5.985 3 H3 ALA 1 3HT ALA 1 -1.491 -13.989 5.870 4 HA ALA 1 HA ALA 1 -0.434 -12.815 4.258 5 HB1 ALA 1 2HB ALA 1 -3.235 -12.044 3.476 6 HB2 ALA 1 3HB ALA 1 -1.992 -12.838 2.508 7 HB3 ALA 1 1HB ALA 1 -1.862 -11.117 2.869 8 H THR 2 H THR 2 -0.067 -10.328 3.904 9 HA THR 2 HA THR 2 -0.689 -8.935 6.437 10 HB THR 2 HB THR 2 1.848 -8.855 4.785 11 HG1 THR 2 1HG THR 2 2.687 -10.012 6.369 12 HG21 THR 2 3HG2 THR 2 1.949 -6.731 5.580 13 HG22 THR 2 1HG2 THR 2 2.375 -7.510 7.103 14 HG23 THR 2 2HG2 THR 2 0.708 -7.024 6.797 15 H CYS 3 H CYS 3 -2.108 -7.413 6.014 16 HA CYS 3 HA CYS 3 -2.222 -6.104 3.424 17 HB2 CYS 3 2HB CYS 3 -3.869 -5.732 5.937 18 HB3 CYS 3 1HB CYS 3 -4.182 -4.949 4.392 19 H TYR 4 H TYR 4 -1.528 -4.083 2.961 20 HA TYR 4 HA TYR 4 -1.005 -2.119 5.003 21 HB2 TYR 4 2HB TYR 4 1.404 -1.906 4.570 22 HB3 TYR 4 1HB TYR 4 1.020 -3.502 5.214 23 HD1 TYR 4 1HD TYR 4 1.875 -1.608 2.147 24 HD2 TYR 4 2HD TYR 4 1.273 -5.493 3.877 25 HE1 TYR 4 1HE TYR 4 2.875 -2.659 0.136 26 HE2 TYR 4 2HE TYR 4 2.271 -6.544 1.865 27 HH TYR 4 HH TYR 4 3.959 -4.732 -0.505 28 H CYS 5 H CYS 5 -0.498 -0.035 4.119 29 HA CYS 5 HA CYS 5 -1.450 0.255 1.375 30 HB2 CYS 5 2HB CYS 5 -0.677 2.502 3.216 31 HB3 CYS 5 1HB CYS 5 -1.816 2.508 1.899 32 H ARG 6 H ARG 6 -0.245 1.115 -0.290 33 HA ARG 6 HA ARG 6 2.549 1.859 0.266 34 HB2 ARG 6 2HB ARG 6 3.358 0.495 -1.576 35 HB3 ARG 6 1HB ARG 6 2.481 -0.533 -0.443 36 HG2 ARG 6 2HG ARG 6 0.728 -0.881 -1.889 37 HG3 ARG 6 1HG ARG 6 0.919 0.682 -2.683 38 HD2 ARG 6 2HD ARG 6 2.935 -1.549 -2.950 39 HD3 ARG 6 1HD ARG 6 1.589 -1.338 -4.067 40 HE ARG 6 HE ARG 6 2.635 1.052 -4.279 41 HH11 ARG 6 1HH2 ARG 6 4.274 -1.970 -3.853 42 HH12 ARG 6 2HH2 ARG 6 5.708 -1.465 -4.682 43 HH21 ARG 6 1HH1 ARG 6 4.516 1.717 -5.369 44 HH22 ARG 6 2HH1 ARG 6 5.845 0.618 -5.540 45 H THR 7 H THR 7 3.532 3.127 -1.442 46 HA THR 7 HA THR 7 1.580 4.856 -2.748 47 HB THR 7 HB THR 7 3.639 5.693 -1.504 48 HG1 THR 7 1HG THR 7 2.753 6.386 -4.033 49 HG21 THR 7 3HG2 THR 7 4.946 3.855 -3.080 50 HG22 THR 7 1HG2 THR 7 5.725 5.188 -2.227 51 HG23 THR 7 2HG2 THR 7 5.277 5.369 -3.923 52 H GLY 8 H GLY 8 1.018 2.820 -4.089 53 HA2 GLY 8 2HA GLY 8 1.240 3.044 -6.688 54 HA3 GLY 8 1HA GLY 8 2.856 2.430 -6.351 55 H ARG 9 H ARG 9 1.947 0.713 -7.872 56 HA ARG 9 HA ARG 9 -0.001 -1.131 -6.882 57 HB2 ARG 9 2HB ARG 9 0.465 -0.845 -9.284 58 HB3 ARG 9 1HB ARG 9 2.083 -1.506 -9.037 59 HG2 ARG 9 2HG ARG 9 1.182 -3.617 -8.303 60 HG3 ARG 9 1HG ARG 9 -0.458 -2.969 -8.301 61 HD2 ARG 9 2HD ARG 9 -0.148 -4.261 -10.327 62 HD3 ARG 9 1HD ARG 9 -0.247 -2.555 -10.748 63 HE ARG 9 HE ARG 9 2.428 -3.709 -10.386 64 HH11 ARG 9 1HH2 ARG 9 -0.104 -2.567 -12.455 65 HH12 ARG 9 2HH2 ARG 9 0.923 -2.376 -13.835 66 HH21 ARG 9 1HH1 ARG 9 3.778 -3.463 -12.195 67 HH22 ARG 9 2HH1 ARG 9 3.120 -2.883 -13.688 68 H CYS 10 H CYS 10 0.392 -3.322 -6.255 69 HA CYS 10 HA CYS 10 2.923 -3.623 -4.768 70 HB2 CYS 10 2HB CYS 10 0.136 -4.628 -4.343 71 HB3 CYS 10 1HB CYS 10 1.492 -5.534 -3.674 72 H ALA 11 H ALA 11 2.895 -6.343 -4.351 73 HA ALA 11 HA ALA 11 3.845 -7.291 -6.920 74 HB1 ALA 11 1HB ALA 11 3.774 -9.338 -4.893 75 HB2 ALA 11 2HB ALA 11 4.432 -7.846 -4.220 76 HB3 ALA 11 3HB ALA 11 5.171 -8.572 -5.647 77 H THR 12 H THR 12 3.188 -9.362 -7.819 78 HA THR 12 HA THR 12 0.407 -9.545 -8.213 79 HB THR 12 HB THR 12 2.566 -11.603 -8.734 80 HG1 THR 12 1HG THR 12 1.774 -9.287 -9.930 81 HG21 THR 12 3HG2 THR 12 -0.354 -11.442 -9.426 82 HG22 THR 12 1HG2 THR 12 0.576 -12.827 -8.853 83 HG23 THR 12 2HG2 THR 12 0.767 -12.263 -10.513 84 H ARG 13 H ARG 13 2.612 -11.408 -6.165 85 HA ARG 13 HA ARG 13 0.800 -13.343 -5.257 86 HB2 ARG 13 2HB ARG 13 3.116 -12.093 -3.755 87 HB3 ARG 13 1HB ARG 13 2.334 -13.624 -3.362 88 HG2 ARG 13 2HG ARG 13 3.607 -13.080 -6.054 89 HG3 ARG 13 1HG ARG 13 4.484 -13.816 -4.713 90 HD2 ARG 13 2HD ARG 13 2.008 -14.901 -6.083 91 HD3 ARG 13 1HD ARG 13 3.624 -15.593 -6.106 92 HE ARG 13 HE ARG 13 3.052 -15.533 -3.457 93 HH11 ARG 13 1HH2 ARG 13 1.351 -16.633 -6.260 94 HH12 ARG 13 2HH2 ARG 13 0.511 -17.897 -5.425 95 HH21 ARG 13 1HH1 ARG 13 1.953 -17.186 -2.353 96 HH22 ARG 13 2HH1 ARG 13 0.852 -18.210 -3.213 97 H GLU 14 H GLU 14 1.242 -10.001 -4.358 98 HA GLU 14 HA GLU 14 -0.247 -10.131 -1.916 99 HB2 GLU 14 2HB GLU 14 -0.055 -7.595 -3.470 100 HB3 GLU 14 1HB GLU 14 0.150 -7.878 -1.741 101 HG2 GLU 14 2HG GLU 14 2.244 -9.266 -2.528 102 HG3 GLU 14 1HG GLU 14 2.112 -8.245 -3.957 103 H SER 15 H SER 15 -2.262 -8.732 -1.653 104 HA SER 15 HA SER 15 -4.049 -8.973 -3.990 105 HB2 SER 15 2HB SER 15 -5.833 -9.659 -2.294 106 HB3 SER 15 1HB SER 15 -4.636 -10.850 -2.757 107 HG SER 15 HG SER 15 -4.886 -9.402 -0.374 108 H LEU 16 H LEU 16 -5.292 -7.267 -4.327 109 HA LEU 16 HA LEU 16 -4.985 -4.950 -2.624 110 HB2 LEU 16 2HB LEU 16 -5.594 -5.373 -5.332 111 HB3 LEU 16 1HB LEU 16 -7.046 -4.655 -4.634 112 HG LEU 16 HG LEU 16 -5.495 -2.906 -5.425 113 HD11 LEU 16 1HD1 LEU 16 -6.283 -1.671 -3.719 114 HD12 LEU 16 2HD1 LEU 16 -5.042 -2.335 -2.654 115 HD13 LEU 16 3HD1 LEU 16 -6.601 -3.146 -2.807 116 HD21 LEU 16 3HD2 LEU 16 -3.265 -3.005 -5.052 117 HD22 LEU 16 1HD2 LEU 16 -3.536 -4.643 -4.457 118 HD23 LEU 16 2HD2 LEU 16 -3.499 -3.288 -3.327 119 H SER 17 H SER 17 -6.264 -4.359 -1.004 120 HA SER 17 HA SER 17 -8.855 -5.735 -0.697 121 HB2 SER 17 2HB SER 17 -8.675 -5.287 1.657 122 HB3 SER 17 1HB SER 17 -7.133 -5.949 1.124 123 HG SER 17 HG SER 17 -7.509 -3.182 1.019 124 H GLY 18 H GLY 18 -7.379 -2.669 -1.242 125 HA2 GLY 18 2HA GLY 18 -9.625 -1.303 -2.033 126 HA3 GLY 18 1HA GLY 18 -9.543 -1.037 -0.295 127 H VAL 19 H VAL 19 -9.362 1.217 -1.527 128 HA VAL 19 HA VAL 19 -6.555 1.826 -2.157 129 HB VAL 19 HB VAL 19 -8.205 2.701 -3.719 130 HG11 VAL 19 1HG1 VAL 19 -9.529 4.669 -2.125 131 HG12 VAL 19 2HG1 VAL 19 -9.713 3.114 -1.317 132 HG13 VAL 19 3HG1 VAL 19 -10.247 3.307 -2.985 133 HG21 VAL 19 3HG2 VAL 19 -7.497 4.974 -3.749 134 HG22 VAL 19 1HG2 VAL 19 -6.187 4.102 -2.952 135 HG23 VAL 19 2HG2 VAL 19 -7.341 5.029 -1.993 136 H CYS 20 H CYS 20 -5.289 2.454 -0.547 137 HA CYS 20 HA CYS 20 -6.308 3.313 2.005 138 HB2 CYS 20 2HB CYS 20 -3.623 2.836 0.796 139 HB3 CYS 20 1HB CYS 20 -3.733 3.783 2.280 140 H GLU 21 H GLU 21 -5.077 5.302 2.994 141 HA GLU 21 HA GLU 21 -4.907 7.531 1.093 142 HB2 GLU 21 2HB GLU 21 -6.325 8.891 2.754 143 HB3 GLU 21 1HB GLU 21 -7.181 7.750 1.717 144 HG2 GLU 21 2HG GLU 21 -7.130 6.071 3.532 145 HG3 GLU 21 1HG GLU 21 -6.305 7.231 4.572 146 H ILE 22 H ILE 22 -2.867 8.165 1.457 147 HA ILE 22 HA ILE 22 -2.095 8.747 4.249 148 HB ILE 22 HB ILE 22 -0.372 7.445 2.129 149 HG12 ILE 22 2HG1 ILE 22 -1.124 6.375 4.859 150 HG13 ILE 22 1HG1 ILE 22 -2.118 6.055 3.438 151 HG21 ILE 22 1HG2 ILE 22 1.230 8.636 3.263 152 HG22 ILE 22 2HG2 ILE 22 1.060 7.317 4.420 153 HG23 ILE 22 3HG2 ILE 22 0.214 8.840 4.690 154 HD11 ILE 22 3HD1 ILE 22 0.017 4.525 4.219 155 HD12 ILE 22 1HD1 ILE 22 0.755 5.588 3.020 156 HD13 ILE 22 2HD1 ILE 22 -0.629 4.587 2.578 157 H SER 23 H SER 23 -1.246 10.730 4.551 158 HA SER 23 HA SER 23 -0.565 12.876 4.089 159 HB2 SER 23 2HB SER 23 1.319 13.066 2.761 160 HB3 SER 23 1HB SER 23 1.327 11.336 3.083 161 HG SER 23 HG SER 23 0.553 12.742 0.769 162 H GLY 24 H GLY 24 -3.148 12.230 3.231 163 HA2 GLY 24 2HA GLY 24 -4.841 13.169 1.984 164 HA3 GLY 24 1HA GLY 24 -3.665 14.346 1.406 165 H ARG 25 H ARG 25 -2.227 11.539 0.733 166 HA ARG 25 HA ARG 25 -3.285 11.493 -2.010 167 HB2 ARG 25 2HB ARG 25 -0.920 11.915 -1.928 168 HB3 ARG 25 1HB ARG 25 -0.661 10.550 -0.846 169 HG2 ARG 25 2HG ARG 25 -1.422 8.999 -2.603 170 HG3 ARG 25 1HG ARG 25 -1.710 10.360 -3.686 171 HD2 ARG 25 2HD ARG 25 0.715 10.966 -3.467 172 HD3 ARG 25 1HD ARG 25 0.954 9.491 -2.535 173 HE ARG 25 HE ARG 25 -0.297 8.993 -5.078 174 HH11 ARG 25 1HH2 ARG 25 2.686 9.575 -3.424 175 HH12 ARG 25 2HH2 ARG 25 3.657 8.747 -4.595 176 HH21 ARG 25 1HH1 ARG 25 0.970 7.905 -6.617 177 HH22 ARG 25 2HH1 ARG 25 2.685 7.802 -6.403 178 H LEU 26 H LEU 26 -4.091 9.674 -2.932 179 HA LEU 26 HA LEU 26 -5.077 7.629 -1.202 180 HB2 LEU 26 2HB LEU 26 -6.123 6.721 -3.137 181 HB3 LEU 26 1HB LEU 26 -6.168 8.473 -3.341 182 HG LEU 26 HG LEU 26 -3.763 7.898 -4.480 183 HD11 LEU 26 1HD1 LEU 26 -4.032 5.910 -5.882 184 HD12 LEU 26 2HD1 LEU 26 -5.614 5.595 -5.170 185 HD13 LEU 26 3HD1 LEU 26 -4.159 5.455 -4.185 186 HD21 LEU 26 3HD2 LEU 26 -5.289 9.289 -5.621 187 HD22 LEU 26 1HD2 LEU 26 -6.553 8.059 -5.612 188 HD23 LEU 26 2HD2 LEU 26 -5.154 7.880 -6.673 189 H TYR 27 H TYR 27 -4.324 5.630 -0.792 190 HA TYR 27 HA TYR 27 -1.829 4.790 -2.143 191 HB2 TYR 27 2HB TYR 27 -2.602 4.778 0.723 192 HB3 TYR 27 1HB TYR 27 -1.604 3.462 0.106 193 HD1 TYR 27 2HD TYR 27 -1.794 7.170 -0.469 194 HD2 TYR 27 1HD TYR 27 0.661 3.768 0.437 195 HE1 TYR 27 2HE TYR 27 0.212 8.626 -0.418 196 HE2 TYR 27 1HE TYR 27 2.667 5.223 0.478 197 HH TYR 27 HH TYR 27 3.123 7.707 0.899 198 H ARG 28 H ARG 28 -1.487 2.428 -2.177 199 HA ARG 28 HA ARG 28 -4.051 1.055 -2.670 200 HB2 ARG 28 2HB ARG 28 -1.229 0.397 -3.568 201 HB3 ARG 28 1HB ARG 28 -2.659 -0.553 -3.964 202 HG2 ARG 28 2HG ARG 28 -2.446 2.393 -4.615 203 HG3 ARG 28 1HG ARG 28 -1.907 1.138 -5.732 204 HD2 ARG 28 2HD ARG 28 -4.214 0.111 -5.535 205 HD3 ARG 28 1HD ARG 28 -4.704 1.550 -4.648 206 HE ARG 28 HE ARG 28 -3.479 2.132 -7.196 207 HH11 ARG 28 1HH2 ARG 28 -6.373 1.312 -5.485 208 HH12 ARG 28 2HH2 ARG 28 -7.434 2.000 -6.669 209 HH21 ARG 28 1HH1 ARG 28 -4.861 3.034 -8.754 210 HH22 ARG 28 2HH1 ARG 28 -6.577 2.975 -8.521 211 H LEU 29 H LEU 29 -4.692 -0.602 -1.429 212 HA LEU 29 HA LEU 29 -2.875 -1.481 0.716 213 HB2 LEU 29 2HB LEU 29 -5.029 -0.602 1.451 214 HB3 LEU 29 1HB LEU 29 -5.874 -1.758 0.424 215 HG LEU 29 HG LEU 29 -4.976 -3.630 1.703 216 HD11 LEU 29 1HD1 LEU 29 -3.296 -1.442 2.881 217 HD12 LEU 29 2HD1 LEU 29 -2.831 -3.073 2.397 218 HD13 LEU 29 3HD1 LEU 29 -3.715 -2.819 3.901 219 HD21 LEU 29 3HD2 LEU 29 -5.770 -1.725 3.876 220 HD22 LEU 29 1HD2 LEU 29 -6.349 -3.360 3.555 221 HD23 LEU 29 2HD2 LEU 29 -6.922 -2.012 2.572 222 H CYS 30 H CYS 30 -1.686 -3.163 0.003 223 HA CYS 30 HA CYS 30 -3.110 -5.348 -1.376 224 HB2 CYS 30 2HB CYS 30 -0.856 -6.058 -2.141 225 HB3 CYS 30 1HB CYS 30 -1.315 -4.473 -2.723 226 H CYS 31 H CYS 31 -2.971 -7.481 -0.580 227 HA CYS 31 HA CYS 31 -1.644 -7.702 2.054 228 HB2 CYS 31 2HB CYS 31 -4.088 -9.191 1.104 229 HB3 CYS 31 1HB CYS 31 -3.391 -9.230 2.711 230 H ARG 32 H ARG 32 -0.260 -9.365 2.358 231 HA ARG 32 HA ARG 32 -0.210 -11.571 0.423 232 HB2 ARG 32 2HB ARG 32 2.149 -11.307 -0.025 233 HB3 ARG 32 1HB ARG 32 1.324 -9.800 -0.423 234 HG2 ARG 32 2HG ARG 32 1.892 -9.231 2.114 235 HG3 ARG 32 1HG ARG 32 3.180 -10.406 1.840 236 HD2 ARG 32 2HD ARG 32 3.881 -9.139 -0.172 237 HD3 ARG 32 1HD ARG 32 2.626 -7.950 0.161 238 HE ARG 32 HE ARG 32 3.905 -7.150 1.971 239 HH11 ARG 32 1HH2 ARG 32 5.262 -9.972 0.502 240 HH12 ARG 32 2HH2 ARG 32 6.793 -9.822 1.298 241 HH21 ARG 32 1HH1 ARG 32 5.914 -6.945 3.022 242 HH22 ARG 32 2HH1 ARG 32 7.161 -8.107 2.724 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 -1.596 -14.138 5.795 2 H2 ALA 1 2HT ALA 1 -3.091 -13.746 5.090 3 H3 ALA 1 3HT ALA 1 -2.537 -12.887 6.446 4 HA ALA 1 HA ALA 1 -0.644 -12.812 4.314 5 HB1 ALA 1 2HB ALA 1 -3.157 -12.903 3.318 6 HB2 ALA 1 3HB ALA 1 -1.877 -11.929 2.596 7 HB3 ALA 1 1HB ALA 1 -3.047 -11.180 3.682 8 H THR 2 H THR 2 -0.240 -10.364 3.904 9 HA THR 2 HA THR 2 -0.671 -8.886 6.428 10 HB THR 2 HB THR 2 1.792 -8.967 4.664 11 HG1 THR 2 1HG THR 2 2.510 -9.480 7.012 12 HG21 THR 2 3HG2 THR 2 2.257 -7.562 7.076 13 HG22 THR 2 1HG2 THR 2 0.782 -6.891 6.379 14 HG23 THR 2 2HG2 THR 2 2.271 -6.915 5.435 15 H CYS 3 H CYS 3 -2.121 -7.374 5.976 16 HA CYS 3 HA CYS 3 -2.213 -6.091 3.370 17 HB2 CYS 3 2HB CYS 3 -3.881 -5.704 5.869 18 HB3 CYS 3 1HB CYS 3 -4.163 -4.896 4.331 19 H TYR 4 H TYR 4 -1.502 -4.079 2.897 20 HA TYR 4 HA TYR 4 -0.972 -2.107 4.926 21 HB2 TYR 4 2HB TYR 4 1.439 -1.923 4.532 22 HB3 TYR 4 1HB TYR 4 1.036 -3.521 5.159 23 HD1 TYR 4 1HD TYR 4 1.888 -1.617 2.091 24 HD2 TYR 4 2HD TYR 4 1.349 -5.501 3.844 25 HE1 TYR 4 1HE TYR 4 2.905 -2.662 0.086 26 HE2 TYR 4 2HE TYR 4 2.367 -6.547 1.839 27 HH TYR 4 HH TYR 4 4.111 -5.634 -0.023 28 H CYS 5 H CYS 5 -0.477 -0.036 4.036 29 HA CYS 5 HA CYS 5 -1.379 0.237 1.275 30 HB2 CYS 5 2HB CYS 5 -0.625 2.529 3.058 31 HB3 CYS 5 1HB CYS 5 -1.819 2.459 1.781 32 H ARG 6 H ARG 6 -0.160 1.073 -0.381 33 HA ARG 6 HA ARG 6 2.635 1.807 0.196 34 HB2 ARG 6 2HB ARG 6 3.409 0.455 -1.702 35 HB3 ARG 6 1HB ARG 6 2.609 -0.563 -0.505 36 HG2 ARG 6 2HG ARG 6 0.810 -0.989 -1.859 37 HG3 ARG 6 1HG ARG 6 0.898 0.580 -2.657 38 HD2 ARG 6 2HD ARG 6 1.552 -1.445 -4.068 39 HD3 ARG 6 1HD ARG 6 2.691 -0.104 -4.045 40 HE ARG 6 HE ARG 6 3.074 -2.378 -2.199 41 HH11 ARG 6 1HH2 ARG 6 4.078 -0.399 -4.861 42 HH12 ARG 6 2HH2 ARG 6 5.686 -1.039 -4.907 43 HH21 ARG 6 1HH1 ARG 6 5.181 -3.220 -2.261 44 HH22 ARG 6 2HH1 ARG 6 6.310 -2.634 -3.437 45 H THR 7 H THR 7 3.604 3.167 -1.382 46 HA THR 7 HA THR 7 1.692 4.879 -2.740 47 HB THR 7 HB THR 7 3.488 5.977 -1.574 48 HG1 THR 7 1HG THR 7 4.515 7.015 -3.407 49 HG21 THR 7 3HG2 THR 7 5.763 5.200 -3.134 50 HG22 THR 7 1HG2 THR 7 4.995 3.746 -2.496 51 HG23 THR 7 2HG2 THR 7 5.512 5.024 -1.397 52 H GLY 8 H GLY 8 1.273 2.702 -4.043 53 HA2 GLY 8 2HA GLY 8 1.540 3.038 -6.674 54 HA3 GLY 8 1HA GLY 8 3.119 2.368 -6.278 55 H ARG 9 H ARG 9 2.320 0.665 -7.800 56 HA ARG 9 HA ARG 9 0.244 -1.113 -6.913 57 HB2 ARG 9 2HB ARG 9 2.200 -1.065 -9.158 58 HB3 ARG 9 1HB ARG 9 1.467 -2.610 -8.725 59 HG2 ARG 9 2HG ARG 9 -0.786 -1.367 -8.792 60 HG3 ARG 9 1HG ARG 9 0.088 -0.075 -9.620 61 HD2 ARG 9 2HD ARG 9 0.874 -1.757 -11.292 62 HD3 ARG 9 1HD ARG 9 -0.136 -2.958 -10.492 63 HE ARG 9 HE ARG 9 -2.056 -1.860 -11.343 64 HH11 ARG 9 1HH2 ARG 9 0.909 -0.250 -12.112 65 HH12 ARG 9 2HH2 ARG 9 0.204 0.773 -13.318 66 HH21 ARG 9 1HH1 ARG 9 -2.991 -0.517 -12.922 67 HH22 ARG 9 2HH1 ARG 9 -2.004 0.622 -13.776 68 H CYS 10 H CYS 10 0.572 -3.366 -6.398 69 HA CYS 10 HA CYS 10 3.031 -3.753 -4.789 70 HB2 CYS 10 2HB CYS 10 0.193 -4.614 -4.409 71 HB3 CYS 10 1HB CYS 10 1.480 -5.627 -3.758 72 H ALA 11 H ALA 11 2.992 -6.432 -4.387 73 HA ALA 11 HA ALA 11 3.917 -7.417 -6.947 74 HB1 ALA 11 1HB ALA 11 4.507 -7.955 -4.253 75 HB2 ALA 11 2HB ALA 11 5.205 -8.736 -5.673 76 HB3 ALA 11 3HB ALA 11 3.790 -9.438 -4.886 77 H THR 12 H THR 12 3.244 -9.513 -7.805 78 HA THR 12 HA THR 12 0.465 -9.654 -8.232 79 HB THR 12 HB THR 12 2.592 -11.762 -8.686 80 HG1 THR 12 1HG THR 12 3.072 -10.561 -10.318 81 HG21 THR 12 3HG2 THR 12 0.640 -12.994 -8.873 82 HG22 THR 12 1HG2 THR 12 0.751 -12.340 -10.508 83 HG23 THR 12 2HG2 THR 12 -0.325 -11.590 -9.329 84 H ARG 13 H ARG 13 2.610 -11.490 -6.101 85 HA ARG 13 HA ARG 13 0.759 -13.381 -5.177 86 HB2 ARG 13 2HB ARG 13 3.097 -12.114 -3.723 87 HB3 ARG 13 1HB ARG 13 2.251 -13.571 -3.207 88 HG2 ARG 13 2HG ARG 13 3.398 -13.389 -5.982 89 HG3 ARG 13 1HG ARG 13 4.428 -13.833 -4.621 90 HD2 ARG 13 2HD ARG 13 2.850 -15.662 -4.051 91 HD3 ARG 13 1HD ARG 13 1.874 -15.239 -5.454 92 HE ARG 13 HE ARG 13 3.484 -16.227 -6.826 93 HH11 ARG 13 1HH2 ARG 13 4.601 -15.873 -3.570 94 HH12 ARG 13 2HH2 ARG 13 6.009 -16.855 -3.800 95 HH21 ARG 13 1HH1 ARG 13 5.329 -17.516 -7.135 96 HH22 ARG 13 2HH1 ARG 13 6.421 -17.786 -5.817 97 H GLU 14 H GLU 14 1.262 -10.019 -4.338 98 HA GLU 14 HA GLU 14 -0.254 -10.050 -1.916 99 HB2 GLU 14 2HB GLU 14 -0.025 -7.562 -3.548 100 HB3 GLU 14 1HB GLU 14 0.173 -7.796 -1.811 101 HG2 GLU 14 2HG GLU 14 2.243 -9.255 -2.589 102 HG3 GLU 14 1HG GLU 14 2.139 -8.220 -4.010 103 H SER 15 H SER 15 -2.254 -8.632 -1.700 104 HA SER 15 HA SER 15 -4.028 -8.858 -4.041 105 HB2 SER 15 2HB SER 15 -5.827 -9.608 -2.377 106 HB3 SER 15 1HB SER 15 -4.615 -10.775 -2.868 107 HG SER 15 HG SER 15 -3.542 -10.466 -0.954 108 H LEU 16 H LEU 16 -5.320 -7.157 -4.319 109 HA LEU 16 HA LEU 16 -5.009 -4.872 -2.577 110 HB2 LEU 16 2HB LEU 16 -5.827 -5.324 -5.280 111 HB3 LEU 16 1HB LEU 16 -7.101 -4.426 -4.456 112 HG LEU 16 HG LEU 16 -5.354 -2.946 -5.480 113 HD11 LEU 16 1HD1 LEU 16 -6.541 -2.812 -2.945 114 HD12 LEU 16 2HD1 LEU 16 -5.820 -1.472 -3.836 115 HD13 LEU 16 3HD1 LEU 16 -4.854 -2.378 -2.670 116 HD21 LEU 16 3HD2 LEU 16 -3.605 -4.838 -4.414 117 HD22 LEU 16 1HD2 LEU 16 -3.394 -3.436 -3.365 118 HD23 LEU 16 2HD2 LEU 16 -3.148 -3.282 -5.105 119 H SER 17 H SER 17 -6.267 -4.304 -0.933 120 HA SER 17 HA SER 17 -8.819 -5.740 -0.577 121 HB2 SER 17 2HB SER 17 -8.579 -5.322 1.783 122 HB3 SER 17 1HB SER 17 -7.050 -5.963 1.194 123 HG SER 17 HG SER 17 -7.298 -3.229 1.023 124 H GLY 18 H GLY 18 -7.424 -2.648 -1.143 125 HA2 GLY 18 2HA GLY 18 -9.728 -1.308 -1.808 126 HA3 GLY 18 1HA GLY 18 -9.560 -1.060 -0.072 127 H VAL 19 H VAL 19 -9.474 1.211 -1.285 128 HA VAL 19 HA VAL 19 -6.713 1.864 -2.066 129 HB VAL 19 HB VAL 19 -8.169 2.888 -3.576 130 HG11 VAL 19 1HG1 VAL 19 -10.347 2.599 -2.949 131 HG12 VAL 19 2HG1 VAL 19 -10.185 4.249 -2.350 132 HG13 VAL 19 3HG1 VAL 19 -9.999 2.887 -1.244 133 HG21 VAL 19 3HG2 VAL 19 -6.655 4.525 -2.309 134 HG22 VAL 19 1HG2 VAL 19 -8.105 5.011 -1.428 135 HG23 VAL 19 2HG2 VAL 19 -8.021 5.229 -3.178 136 H CYS 20 H CYS 20 -5.362 2.498 -0.528 137 HA CYS 20 HA CYS 20 -6.271 3.338 2.079 138 HB2 CYS 20 2HB CYS 20 -3.657 2.776 0.778 139 HB3 CYS 20 1HB CYS 20 -3.657 3.786 2.224 140 H GLU 21 H GLU 21 -5.064 5.318 3.051 141 HA GLU 21 HA GLU 21 -4.920 7.547 1.140 142 HB2 GLU 21 2HB GLU 21 -6.685 7.484 3.600 143 HB3 GLU 21 1HB GLU 21 -6.324 8.938 2.667 144 HG2 GLU 21 2HG GLU 21 -8.343 8.225 1.717 145 HG3 GLU 21 1HG GLU 21 -7.144 7.531 0.626 146 H ILE 22 H ILE 22 -2.872 8.190 1.451 147 HA ILE 22 HA ILE 22 -2.001 8.723 4.227 148 HB ILE 22 HB ILE 22 -0.334 7.534 1.999 149 HG12 ILE 22 2HG1 ILE 22 -0.965 6.327 4.698 150 HG13 ILE 22 1HG1 ILE 22 -2.020 6.065 3.309 151 HG21 ILE 22 1HG2 ILE 22 1.468 7.495 3.652 152 HG22 ILE 22 2HG2 ILE 22 0.404 8.208 4.864 153 HG23 ILE 22 3HG2 ILE 22 0.891 9.150 3.455 154 HD11 ILE 22 3HD1 ILE 22 -0.586 4.604 2.369 155 HD12 ILE 22 1HD1 ILE 22 0.233 4.572 3.931 156 HD13 ILE 22 2HD1 ILE 22 0.799 5.656 2.659 157 H SER 23 H SER 23 -1.059 10.670 4.560 158 HA SER 23 HA SER 23 -0.394 12.829 4.148 159 HB2 SER 23 2HB SER 23 1.360 13.067 2.669 160 HB3 SER 23 1HB SER 23 1.352 11.315 2.850 161 HG SER 23 HG SER 23 1.050 11.302 0.775 162 H GLY 24 H GLY 24 -3.038 11.826 3.165 163 HA2 GLY 24 2HA GLY 24 -4.857 12.930 2.236 164 HA3 GLY 24 1HA GLY 24 -3.765 14.197 1.684 165 H ARG 25 H ARG 25 -2.412 11.345 0.752 166 HA ARG 25 HA ARG 25 -3.591 11.550 -1.942 167 HB2 ARG 25 2HB ARG 25 -1.230 11.998 -1.966 168 HB3 ARG 25 1HB ARG 25 -0.898 10.551 -1.018 169 HG2 ARG 25 2HG ARG 25 -1.740 9.135 -2.838 170 HG3 ARG 25 1HG ARG 25 -2.136 10.569 -3.786 171 HD2 ARG 25 2HD ARG 25 0.647 9.876 -2.821 172 HD3 ARG 25 1HD ARG 25 0.043 9.530 -4.439 173 HE ARG 25 HE ARG 25 0.828 12.123 -3.401 174 HH11 ARG 25 1HH2 ARG 25 -1.002 10.342 -5.736 175 HH12 ARG 25 2HH2 ARG 25 -1.041 11.629 -6.894 176 HH21 ARG 25 1HH1 ARG 25 0.784 13.817 -4.916 177 HH22 ARG 25 2HH1 ARG 25 -0.029 13.597 -6.430 178 H LEU 26 H LEU 26 -4.243 9.711 -3.047 179 HA LEU 26 HA LEU 26 -5.293 7.611 -1.421 180 HB2 LEU 26 2HB LEU 26 -5.069 7.910 -4.427 181 HB3 LEU 26 1HB LEU 26 -5.949 6.610 -3.623 182 HG LEU 26 HG LEU 26 -6.500 9.555 -3.170 183 HD11 LEU 26 1HD1 LEU 26 -8.560 9.100 -4.536 184 HD12 LEU 26 2HD1 LEU 26 -7.873 7.531 -4.963 185 HD13 LEU 26 3HD1 LEU 26 -7.066 9.016 -5.468 186 HD21 LEU 26 3HD2 LEU 26 -7.527 8.636 -1.356 187 HD22 LEU 26 1HD2 LEU 26 -7.471 7.009 -2.037 188 HD23 LEU 26 2HD2 LEU 26 -8.750 8.124 -2.520 189 H TYR 27 H TYR 27 -4.468 5.679 -0.925 190 HA TYR 27 HA TYR 27 -1.969 4.824 -2.252 191 HB2 TYR 27 2HB TYR 27 -2.736 4.893 0.614 192 HB3 TYR 27 1HB TYR 27 -1.747 3.554 0.041 193 HD1 TYR 27 2HD TYR 27 -1.936 7.252 -0.575 194 HD2 TYR 27 1HD TYR 27 0.537 3.849 0.285 195 HE1 TYR 27 2HE TYR 27 0.075 8.704 -0.568 196 HE2 TYR 27 1HE TYR 27 2.543 5.305 0.289 197 HH TYR 27 HH TYR 27 3.126 7.629 -0.853 198 H ARG 28 H ARG 28 -1.623 2.484 -2.291 199 HA ARG 28 HA ARG 28 -4.185 1.069 -2.685 200 HB2 ARG 28 2HB ARG 28 -1.394 0.597 -3.752 201 HB3 ARG 28 1HB ARG 28 -2.690 -0.588 -3.925 202 HG2 ARG 28 2HG ARG 28 -4.075 1.092 -5.080 203 HG3 ARG 28 1HG ARG 28 -2.785 2.281 -4.905 204 HD2 ARG 28 2HD ARG 28 -1.281 0.845 -6.231 205 HD3 ARG 28 1HD ARG 28 -2.567 -0.345 -6.404 206 HE ARG 28 HE ARG 28 -2.283 2.087 -7.904 207 HH11 ARG 28 1HH2 ARG 28 -4.531 -0.155 -6.526 208 HH12 ARG 28 2HH2 ARG 28 -5.787 0.189 -7.667 209 HH21 ARG 28 1HH1 ARG 28 -3.926 2.543 -9.407 210 HH22 ARG 28 2HH1 ARG 28 -5.444 1.716 -9.299 211 H LEU 29 H LEU 29 -4.749 -0.597 -1.419 212 HA LEU 29 HA LEU 29 -2.838 -1.438 0.660 213 HB2 LEU 29 2HB LEU 29 -4.951 -0.565 1.503 214 HB3 LEU 29 1HB LEU 29 -5.849 -1.707 0.506 215 HG LEU 29 HG LEU 29 -4.909 -3.592 1.729 216 HD11 LEU 29 1HD1 LEU 29 -2.739 -3.055 2.334 217 HD12 LEU 29 2HD1 LEU 29 -3.556 -2.819 3.878 218 HD13 LEU 29 3HD1 LEU 29 -3.171 -1.428 2.863 219 HD21 LEU 29 3HD2 LEU 29 -5.596 -1.744 3.974 220 HD22 LEU 29 1HD2 LEU 29 -6.238 -3.343 3.601 221 HD23 LEU 29 2HD2 LEU 29 -6.795 -1.935 2.696 222 H CYS 30 H CYS 30 -1.662 -3.090 -0.158 223 HA CYS 30 HA CYS 30 -3.115 -5.294 -1.454 224 HB2 CYS 30 2HB CYS 30 -0.902 -6.030 -2.257 225 HB3 CYS 30 1HB CYS 30 -1.290 -4.404 -2.794 226 H CYS 31 H CYS 31 -2.937 -7.438 -0.674 227 HA CYS 31 HA CYS 31 -1.630 -7.671 1.966 228 HB2 CYS 31 2HB CYS 31 -4.099 -9.133 1.033 229 HB3 CYS 31 1HB CYS 31 -3.396 -9.157 2.640 230 H ARG 32 H ARG 32 -0.205 -9.292 2.202 231 HA ARG 32 HA ARG 32 -0.225 -11.507 0.264 232 HB2 ARG 32 2HB ARG 32 2.156 -11.313 -0.114 233 HB3 ARG 32 1HB ARG 32 1.388 -9.776 -0.514 234 HG2 ARG 32 2HG ARG 32 1.901 -9.246 2.037 235 HG3 ARG 32 1HG ARG 32 3.152 -10.469 1.800 236 HD2 ARG 32 2HD ARG 32 3.969 -9.218 -0.179 237 HD3 ARG 32 1HD ARG 32 2.751 -7.980 0.125 238 HE ARG 32 HE ARG 32 4.011 -7.244 1.976 239 HH11 ARG 32 1HH2 ARG 32 5.276 -10.135 0.557 240 HH12 ARG 32 2HH2 ARG 32 6.783 -10.061 1.410 241 HH21 ARG 32 1HH1 ARG 32 5.985 -7.142 3.102 242 HH22 ARG 32 2HH1 ARG 32 7.183 -8.366 2.851 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 -3.251 -13.532 5.296 2 H2 ALA 1 2HT ALA 1 -2.212 -13.062 6.556 3 H3 ALA 1 3HT ALA 1 -1.759 -14.311 5.499 4 HA ALA 1 HA ALA 1 -0.688 -12.811 4.293 5 HB1 ALA 1 2HB ALA 1 -3.215 -12.940 3.344 6 HB2 ALA 1 3HB ALA 1 -1.971 -11.928 2.609 7 HB3 ALA 1 1HB ALA 1 -3.136 -11.221 3.729 8 H THR 2 H THR 2 -0.255 -10.394 3.932 9 HA THR 2 HA THR 2 -0.718 -8.917 6.451 10 HB THR 2 HB THR 2 1.768 -8.992 4.717 11 HG1 THR 2 1HG THR 2 2.500 -10.279 6.200 12 HG21 THR 2 3HG2 THR 2 0.773 -7.059 6.718 13 HG22 THR 2 1HG2 THR 2 1.964 -6.841 5.436 14 HG23 THR 2 2HG2 THR 2 2.436 -7.595 6.959 15 H CYS 3 H CYS 3 -2.151 -7.383 5.992 16 HA CYS 3 HA CYS 3 -2.207 -6.106 3.381 17 HB2 CYS 3 2HB CYS 3 -3.909 -5.682 5.853 18 HB3 CYS 3 1HB CYS 3 -4.175 -4.920 4.292 19 H TYR 4 H TYR 4 -1.497 -4.089 2.918 20 HA TYR 4 HA TYR 4 -0.963 -2.132 4.964 21 HB2 TYR 4 2HB TYR 4 1.443 -1.948 4.580 22 HB3 TYR 4 1HB TYR 4 1.041 -3.558 5.176 23 HD1 TYR 4 1HD TYR 4 1.971 -1.591 2.182 24 HD2 TYR 4 2HD TYR 4 1.278 -5.516 3.784 25 HE1 TYR 4 1HE TYR 4 2.990 -2.597 0.157 26 HE2 TYR 4 2HE TYR 4 2.295 -6.522 1.758 27 HH TYR 4 HH TYR 4 3.225 -4.539 -1.009 28 H CYS 5 H CYS 5 -0.447 -0.062 4.090 29 HA CYS 5 HA CYS 5 -1.375 0.250 1.338 30 HB2 CYS 5 2HB CYS 5 -0.590 2.499 3.172 31 HB3 CYS 5 1HB CYS 5 -1.746 2.495 1.881 32 H ARG 6 H ARG 6 -0.191 1.243 -0.293 33 HA ARG 6 HA ARG 6 2.622 1.896 0.251 34 HB2 ARG 6 2HB ARG 6 3.393 0.557 -1.639 35 HB3 ARG 6 1HB ARG 6 2.551 -0.478 -0.481 36 HG2 ARG 6 2HG ARG 6 0.696 -0.746 -1.849 37 HG3 ARG 6 1HG ARG 6 0.985 0.757 -2.719 38 HD2 ARG 6 2HD ARG 6 1.507 -1.469 -3.928 39 HD3 ARG 6 1HD ARG 6 2.688 -0.169 -4.031 40 HE ARG 6 HE ARG 6 3.026 -2.173 -1.908 41 HH11 ARG 6 1HH2 ARG 6 3.955 -0.810 -4.950 42 HH12 ARG 6 2HH2 ARG 6 5.504 -1.582 -4.979 43 HH21 ARG 6 1HH1 ARG 6 5.056 -3.187 -1.940 44 HH22 ARG 6 2HH1 ARG 6 6.128 -2.928 -3.276 45 H THR 7 H THR 7 3.610 3.186 -1.419 46 HA THR 7 HA THR 7 1.710 4.993 -2.665 47 HB THR 7 HB THR 7 4.730 5.032 -2.823 48 HG1 THR 7 1HG THR 7 4.150 6.762 -1.137 49 HG21 THR 7 3HG2 THR 7 4.385 7.413 -3.295 50 HG22 THR 7 1HG2 THR 7 2.641 7.205 -3.149 51 HG23 THR 7 2HG2 THR 7 3.514 6.431 -4.470 52 H GLY 8 H GLY 8 1.109 2.815 -3.919 53 HA2 GLY 8 2HA GLY 8 1.161 3.106 -6.548 54 HA3 GLY 8 1HA GLY 8 2.776 2.452 -6.298 55 H ARG 9 H ARG 9 1.911 0.712 -7.706 56 HA ARG 9 HA ARG 9 -0.074 -1.074 -6.614 57 HB2 ARG 9 2HB ARG 9 1.575 -0.938 -9.080 58 HB3 ARG 9 1HB ARG 9 1.031 -2.538 -8.571 59 HG2 ARG 9 2HG ARG 9 -1.306 -1.433 -8.319 60 HG3 ARG 9 1HG ARG 9 -0.632 -0.129 -9.298 61 HD2 ARG 9 2HD ARG 9 -0.569 -3.041 -10.104 62 HD3 ARG 9 1HD ARG 9 -1.829 -1.919 -10.612 63 HE ARG 9 HE ARG 9 0.662 -0.780 -11.246 64 HH11 ARG 9 1HH2 ARG 9 -1.343 -3.474 -12.082 65 HH12 ARG 9 2HH2 ARG 9 -0.761 -3.579 -13.710 66 HH21 ARG 9 1HH1 ARG 9 1.429 -0.910 -13.380 67 HH22 ARG 9 2HH1 ARG 9 0.808 -2.127 -14.444 68 H CYS 10 H CYS 10 0.337 -3.322 -6.118 69 HA CYS 10 HA CYS 10 2.937 -3.654 -4.752 70 HB2 CYS 10 2HB CYS 10 0.179 -4.677 -4.245 71 HB3 CYS 10 1HB CYS 10 1.547 -5.645 -3.706 72 H ALA 11 H ALA 11 2.947 -6.391 -4.448 73 HA ALA 11 HA ALA 11 3.795 -7.228 -7.094 74 HB1 ALA 11 1HB ALA 11 4.399 -7.949 -4.380 75 HB2 ALA 11 2HB ALA 11 5.256 -8.392 -5.857 76 HB3 ALA 11 3HB ALA 11 3.927 -9.394 -5.273 77 H THR 12 H THR 12 3.158 -9.360 -7.956 78 HA THR 12 HA THR 12 0.372 -9.566 -8.295 79 HB THR 12 HB THR 12 2.518 -11.645 -8.792 80 HG1 THR 12 1HG THR 12 1.934 -9.317 -9.949 81 HG21 THR 12 3HG2 THR 12 -0.408 -11.495 -9.379 82 HG22 THR 12 1HG2 THR 12 0.583 -12.895 -8.967 83 HG23 THR 12 2HG2 THR 12 0.647 -12.217 -10.594 84 H ARG 13 H ARG 13 2.623 -11.399 -6.255 85 HA ARG 13 HA ARG 13 0.831 -13.315 -5.274 86 HB2 ARG 13 2HB ARG 13 3.154 -12.017 -3.818 87 HB3 ARG 13 1HB ARG 13 2.392 -13.551 -3.398 88 HG2 ARG 13 2HG ARG 13 3.610 -13.042 -6.115 89 HG3 ARG 13 1HG ARG 13 4.534 -13.723 -4.776 90 HD2 ARG 13 2HD ARG 13 2.757 -15.509 -4.581 91 HD3 ARG 13 1HD ARG 13 2.056 -14.885 -6.069 92 HE ARG 13 HE ARG 13 4.879 -15.693 -6.100 93 HH11 ARG 13 1HH2 ARG 13 1.568 -16.208 -6.967 94 HH12 ARG 13 2HH2 ARG 13 1.929 -17.364 -8.204 95 HH21 ARG 13 1HH1 ARG 13 5.359 -17.210 -7.721 96 HH22 ARG 13 2HH1 ARG 13 4.075 -17.932 -8.632 97 H GLU 14 H GLU 14 1.295 -9.953 -4.426 98 HA GLU 14 HA GLU 14 -0.164 -10.031 -1.969 99 HB2 GLU 14 2HB GLU 14 -0.010 -7.529 -3.579 100 HB3 GLU 14 1HB GLU 14 0.230 -7.778 -1.848 101 HG2 GLU 14 2HG GLU 14 2.289 -9.238 -2.793 102 HG3 GLU 14 1HG GLU 14 2.164 -8.032 -4.072 103 H SER 15 H SER 15 -2.210 -8.806 -1.641 104 HA SER 15 HA SER 15 -4.022 -9.029 -3.966 105 HB2 SER 15 2HB SER 15 -5.768 -9.732 -2.190 106 HB3 SER 15 1HB SER 15 -4.596 -10.904 -2.730 107 HG SER 15 HG SER 15 -5.032 -10.113 -0.282 108 H LEU 16 H LEU 16 -5.310 -7.327 -4.277 109 HA LEU 16 HA LEU 16 -5.001 -5.004 -2.584 110 HB2 LEU 16 2HB LEU 16 -5.794 -5.510 -5.280 111 HB3 LEU 16 1HB LEU 16 -7.086 -4.612 -4.484 112 HG LEU 16 HG LEU 16 -5.338 -3.138 -5.525 113 HD11 LEU 16 1HD1 LEU 16 -6.370 -1.890 -3.912 114 HD12 LEU 16 2HD1 LEU 16 -4.821 -2.054 -3.086 115 HD13 LEU 16 3HD1 LEU 16 -6.157 -3.129 -2.675 116 HD21 LEU 16 3HD2 LEU 16 -3.136 -3.452 -5.103 117 HD22 LEU 16 1HD2 LEU 16 -3.592 -4.980 -4.350 118 HD23 LEU 16 2HD2 LEU 16 -3.414 -3.528 -3.362 119 H SER 17 H SER 17 -6.256 -4.434 -0.937 120 HA SER 17 HA SER 17 -8.818 -5.855 -0.587 121 HB2 SER 17 2HB SER 17 -8.579 -5.504 1.758 122 HB3 SER 17 1HB SER 17 -7.004 -6.032 1.183 123 HG SER 17 HG SER 17 -7.092 -3.421 0.909 124 H GLY 18 H GLY 18 -7.369 -2.753 -1.059 125 HA2 GLY 18 2HA GLY 18 -9.677 -1.423 -1.794 126 HA3 GLY 18 1HA GLY 18 -9.514 -1.146 -0.062 127 H VAL 19 H VAL 19 -9.417 1.101 -1.315 128 HA VAL 19 HA VAL 19 -6.650 1.726 -2.104 129 HB VAL 19 HB VAL 19 -8.024 2.774 -3.639 130 HG11 VAL 19 1HG1 VAL 19 -10.241 3.753 -3.043 131 HG12 VAL 19 2HG1 VAL 19 -9.994 3.228 -1.377 132 HG13 VAL 19 3HG1 VAL 19 -10.139 2.033 -2.665 133 HG21 VAL 19 3HG2 VAL 19 -8.183 4.858 -1.455 134 HG22 VAL 19 1HG2 VAL 19 -8.025 5.115 -3.193 135 HG23 VAL 19 2HG2 VAL 19 -6.669 4.464 -2.270 136 H CYS 20 H CYS 20 -5.297 2.386 -0.581 137 HA CYS 20 HA CYS 20 -6.213 3.293 1.999 138 HB2 CYS 20 2HB CYS 20 -3.587 2.687 0.738 139 HB3 CYS 20 1HB CYS 20 -3.598 3.734 2.158 140 H GLU 21 H GLU 21 -4.888 5.283 2.903 141 HA GLU 21 HA GLU 21 -4.701 7.459 0.951 142 HB2 GLU 21 2HB GLU 21 -6.637 7.475 3.281 143 HB3 GLU 21 1HB GLU 21 -6.192 8.903 2.347 144 HG2 GLU 21 2HG GLU 21 -7.025 7.850 0.293 145 HG3 GLU 21 1HG GLU 21 -7.429 6.389 1.192 146 H ILE 22 H ILE 22 -2.738 8.249 1.375 147 HA ILE 22 HA ILE 22 -2.001 8.727 4.202 148 HB ILE 22 HB ILE 22 0.036 8.027 2.109 149 HG12 ILE 22 2HG1 ILE 22 -1.760 6.231 2.270 150 HG13 ILE 22 1HG1 ILE 22 -0.132 5.699 2.681 151 HG21 ILE 22 1HG2 ILE 22 -0.117 7.975 5.125 152 HG22 ILE 22 2HG2 ILE 22 0.960 8.940 4.116 153 HG23 ILE 22 3HG2 ILE 22 1.185 7.195 4.228 154 HD11 ILE 22 3HD1 ILE 22 -0.609 5.944 5.059 155 HD12 ILE 22 1HD1 ILE 22 -1.834 4.912 4.322 156 HD13 ILE 22 2HD1 ILE 22 -2.203 6.592 4.700 157 H SER 23 H SER 23 -1.274 10.724 4.650 158 HA SER 23 HA SER 23 -0.798 12.954 4.358 159 HB2 SER 23 2HB SER 23 0.746 13.374 2.301 160 HB3 SER 23 1HB SER 23 1.347 12.393 3.633 161 HG SER 23 HG SER 23 0.938 11.717 1.064 162 H GLY 24 H GLY 24 -3.246 11.843 3.152 163 HA2 GLY 24 2HA GLY 24 -5.030 12.882 2.068 164 HA3 GLY 24 1HA GLY 24 -3.923 14.128 1.499 165 H ARG 25 H ARG 25 -2.140 11.739 0.634 166 HA ARG 25 HA ARG 25 -3.161 11.641 -2.073 167 HB2 ARG 25 2HB ARG 25 -0.742 11.935 -1.597 168 HB3 ARG 25 1HB ARG 25 -0.720 10.323 -0.901 169 HG2 ARG 25 2HG ARG 25 -1.496 9.385 -3.058 170 HG3 ARG 25 1HG ARG 25 -1.470 11.006 -3.754 171 HD2 ARG 25 2HD ARG 25 0.984 11.117 -3.088 172 HD3 ARG 25 1HD ARG 25 0.878 9.397 -2.731 173 HE ARG 25 HE ARG 25 1.071 10.569 -5.328 174 HH11 ARG 25 1HH2 ARG 25 -0.380 8.008 -3.513 175 HH12 ARG 25 2HH2 ARG 25 -0.511 6.937 -4.868 176 HH21 ARG 25 1HH1 ARG 25 0.902 9.173 -7.109 177 HH22 ARG 25 2HH1 ARG 25 0.215 7.597 -6.905 178 H LEU 26 H LEU 26 -3.544 9.687 -3.246 179 HA LEU 26 HA LEU 26 -4.965 7.726 -1.661 180 HB2 LEU 26 2HB LEU 26 -4.563 8.206 -4.609 181 HB3 LEU 26 1HB LEU 26 -5.263 6.690 -4.037 182 HG LEU 26 HG LEU 26 -6.954 8.497 -4.588 183 HD11 LEU 26 1HD1 LEU 26 -7.574 8.200 -1.805 184 HD12 LEU 26 2HD1 LEU 26 -6.793 6.721 -2.360 185 HD13 LEU 26 3HD1 LEU 26 -8.242 7.311 -3.173 186 HD21 LEU 26 3HD2 LEU 26 -5.886 9.744 -2.038 187 HD22 LEU 26 1HD2 LEU 26 -7.185 10.361 -3.057 188 HD23 LEU 26 2HD2 LEU 26 -5.524 10.354 -3.653 189 H TYR 27 H TYR 27 -4.267 5.780 -1.052 190 HA TYR 27 HA TYR 27 -1.724 4.774 -2.176 191 HB2 TYR 27 2HB TYR 27 -2.657 4.990 0.625 192 HB3 TYR 27 1HB TYR 27 -1.707 3.584 0.163 193 HD1 TYR 27 2HD TYR 27 -1.672 7.271 -0.507 194 HD2 TYR 27 1HD TYR 27 0.582 3.743 0.455 195 HE1 TYR 27 2HE TYR 27 0.413 8.612 -0.423 196 HE2 TYR 27 1HE TYR 27 2.662 5.092 0.532 197 HH TYR 27 HH TYR 27 3.452 7.241 0.668 198 H ARG 28 H ARG 28 -1.499 2.475 -2.306 199 HA ARG 28 HA ARG 28 -4.095 1.131 -2.701 200 HB2 ARG 28 2HB ARG 28 -1.306 0.593 -3.739 201 HB3 ARG 28 1HB ARG 28 -2.616 -0.578 -3.904 202 HG2 ARG 28 2HG ARG 28 -2.811 0.613 -5.901 203 HG3 ARG 28 1HG ARG 28 -3.945 1.481 -4.867 204 HD2 ARG 28 2HD ARG 28 -2.168 3.118 -4.318 205 HD3 ARG 28 1HD ARG 28 -1.066 2.266 -5.394 206 HE ARG 28 HE ARG 28 -3.381 2.923 -6.850 207 HH11 ARG 28 1HH2 ARG 28 -0.706 4.418 -5.243 208 HH12 ARG 28 2HH2 ARG 28 -0.674 5.800 -6.287 209 HH21 ARG 28 1HH1 ARG 28 -3.346 4.733 -8.222 210 HH22 ARG 28 2HH1 ARG 28 -2.169 5.979 -7.971 211 H LEU 29 H LEU 29 -4.699 -0.590 -1.514 212 HA LEU 29 HA LEU 29 -2.879 -1.443 0.636 213 HB2 LEU 29 2HB LEU 29 -5.022 -0.550 1.403 214 HB3 LEU 29 1HB LEU 29 -5.886 -1.698 0.378 215 HG LEU 29 HG LEU 29 -4.993 -3.585 1.634 216 HD11 LEU 29 1HD1 LEU 29 -3.272 -1.424 2.804 217 HD12 LEU 29 2HD1 LEU 29 -2.843 -3.066 2.327 218 HD13 LEU 29 3HD1 LEU 29 -3.713 -2.785 3.835 219 HD21 LEU 29 3HD2 LEU 29 -5.784 -1.641 3.793 220 HD22 LEU 29 1HD2 LEU 29 -6.306 -3.307 3.543 221 HD23 LEU 29 2HD2 LEU 29 -6.942 -2.020 2.518 222 H CYS 30 H CYS 30 -1.710 -3.143 -0.037 223 HA CYS 30 HA CYS 30 -3.128 -5.334 -1.404 224 HB2 CYS 30 2HB CYS 30 -0.937 -6.049 -2.221 225 HB3 CYS 30 1HB CYS 30 -1.287 -4.403 -2.705 226 H CYS 31 H CYS 31 -2.880 -7.486 -0.653 227 HA CYS 31 HA CYS 31 -1.635 -7.710 2.014 228 HB2 CYS 31 2HB CYS 31 -4.084 -9.172 1.057 229 HB3 CYS 31 1HB CYS 31 -3.404 -9.201 2.663 230 H ARG 32 H ARG 32 -0.404 -9.490 2.414 231 HA ARG 32 HA ARG 32 -0.309 -11.645 0.423 232 HB2 ARG 32 2HB ARG 32 2.136 -11.474 0.210 233 HB3 ARG 32 1HB ARG 32 1.333 -10.021 -0.388 234 HG2 ARG 32 2HG ARG 32 1.675 -9.104 2.017 235 HG3 ARG 32 1HG ARG 32 2.851 -10.407 2.187 236 HD2 ARG 32 2HD ARG 32 3.975 -9.577 0.101 237 HD3 ARG 32 1HD ARG 32 2.865 -8.206 0.110 238 HE ARG 32 HE ARG 32 4.293 -8.529 2.602 239 HH11 ARG 32 1HH2 ARG 32 4.373 -7.262 -0.616 240 HH12 ARG 32 2HH2 ARG 32 5.530 -6.026 -0.249 241 HH21 ARG 32 1HH1 ARG 32 5.810 -6.912 3.093 242 HH22 ARG 32 2HH1 ARG 32 6.343 -5.828 1.851 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 -2.808 -13.972 4.895 2 H2 ALA 1 2HT ALA 1 -2.920 -12.811 6.131 3 H3 ALA 1 3HT ALA 1 -1.602 -13.883 6.084 4 HA ALA 1 HA ALA 1 -0.559 -12.792 4.391 5 HB1 ALA 1 2HB ALA 1 -1.813 -11.272 2.842 6 HB2 ALA 1 3HB ALA 1 -3.300 -11.711 3.679 7 HB3 ALA 1 1HB ALA 1 -2.391 -12.938 2.798 8 H THR 2 H THR 2 -0.198 -10.302 3.965 9 HA THR 2 HA THR 2 -0.763 -8.845 6.472 10 HB THR 2 HB THR 2 1.780 -8.866 4.828 11 HG1 THR 2 1HG THR 2 2.537 -10.091 6.369 12 HG21 THR 2 3HG2 THR 2 0.668 -6.933 6.731 13 HG22 THR 2 1HG2 THR 2 1.998 -6.750 5.589 14 HG23 THR 2 2HG2 THR 2 2.283 -7.492 7.162 15 H CYS 3 H CYS 3 -2.149 -7.301 6.004 16 HA CYS 3 HA CYS 3 -2.195 -6.035 3.387 17 HB2 CYS 3 2HB CYS 3 -3.896 -5.594 5.853 18 HB3 CYS 3 1HB CYS 3 -4.159 -4.849 4.280 19 H TYR 4 H TYR 4 -1.462 -4.028 2.919 20 HA TYR 4 HA TYR 4 -0.954 -2.057 4.961 21 HB2 TYR 4 2HB TYR 4 1.462 -1.868 4.565 22 HB3 TYR 4 1HB TYR 4 1.058 -3.462 5.202 23 HD1 TYR 4 1HD TYR 4 2.043 -1.570 2.189 24 HD2 TYR 4 2HD TYR 4 1.244 -5.454 3.840 25 HE1 TYR 4 1HE TYR 4 3.067 -2.628 0.193 26 HE2 TYR 4 2HE TYR 4 2.268 -6.513 1.845 27 HH TYR 4 HH TYR 4 3.967 -5.852 0.083 28 H CYS 5 H CYS 5 -0.395 0.015 4.070 29 HA CYS 5 HA CYS 5 -1.333 0.309 1.321 30 HB2 CYS 5 2HB CYS 5 -0.525 2.562 3.139 31 HB3 CYS 5 1HB CYS 5 -1.695 2.552 1.838 32 H ARG 6 H ARG 6 -0.113 1.111 -0.347 33 HA ARG 6 HA ARG 6 2.680 1.862 0.194 34 HB2 ARG 6 2HB ARG 6 3.484 0.420 -1.610 35 HB3 ARG 6 1HB ARG 6 2.659 -0.547 -0.389 36 HG2 ARG 6 2HG ARG 6 0.908 -1.053 -1.764 37 HG3 ARG 6 1HG ARG 6 0.982 0.489 -2.617 38 HD2 ARG 6 2HD ARG 6 1.690 -1.528 -3.972 39 HD3 ARG 6 1HD ARG 6 2.857 -0.212 -3.915 40 HE ARG 6 HE ARG 6 3.140 -2.424 -1.993 41 HH11 ARG 6 1HH2 ARG 6 4.195 -0.691 -4.800 42 HH12 ARG 6 2HH2 ARG 6 5.765 -1.419 -4.826 43 HH21 ARG 6 1HH1 ARG 6 5.196 -3.383 -2.026 44 HH22 ARG 6 2HH1 ARG 6 6.332 -2.943 -3.258 45 H THR 7 H THR 7 3.662 3.101 -1.507 46 HA THR 7 HA THR 7 1.767 4.810 -2.869 47 HB THR 7 HB THR 7 4.768 4.849 -3.183 48 HG1 THR 7 1HG THR 7 4.123 4.828 -0.957 49 HG21 THR 7 3HG2 THR 7 3.042 7.268 -3.015 50 HG22 THR 7 1HG2 THR 7 2.916 6.289 -4.476 51 HG23 THR 7 2HG2 THR 7 4.472 6.972 -4.003 52 H GLY 8 H GLY 8 0.911 2.932 -4.156 53 HA2 GLY 8 2HA GLY 8 0.961 2.915 -6.708 54 HA3 GLY 8 1HA GLY 8 2.609 2.336 -6.502 55 H ARG 9 H ARG 9 1.451 0.605 -7.897 56 HA ARG 9 HA ARG 9 -0.292 -1.238 -6.587 57 HB2 ARG 9 2HB ARG 9 1.184 -1.152 -9.156 58 HB3 ARG 9 1HB ARG 9 0.723 -2.745 -8.553 59 HG2 ARG 9 2HG ARG 9 -1.626 -1.753 -8.205 60 HG3 ARG 9 1HG ARG 9 -1.076 -0.402 -9.196 61 HD2 ARG 9 2HD ARG 9 -0.515 -1.950 -11.013 62 HD3 ARG 9 1HD ARG 9 -1.018 -3.309 -10.012 63 HE ARG 9 HE ARG 9 -3.265 -2.696 -10.358 64 HH11 ARG 9 1HH2 ARG 9 -1.028 -0.416 -11.684 65 HH12 ARG 9 2HH2 ARG 9 -2.221 0.426 -12.614 66 HH21 ARG 9 1HH1 ARG 9 -4.840 -1.596 -11.574 67 HH22 ARG 9 2HH1 ARG 9 -4.381 -0.240 -12.551 68 H CYS 10 H CYS 10 0.230 -3.487 -6.119 69 HA CYS 10 HA CYS 10 2.893 -3.692 -4.854 70 HB2 CYS 10 2HB CYS 10 0.202 -4.811 -4.210 71 HB3 CYS 10 1HB CYS 10 1.630 -5.708 -3.705 72 H ALA 11 H ALA 11 2.930 -6.459 -4.492 73 HA ALA 11 HA ALA 11 3.740 -7.304 -7.156 74 HB1 ALA 11 1HB ALA 11 5.188 -8.623 -6.058 75 HB2 ALA 11 2HB ALA 11 3.906 -9.331 -5.076 76 HB3 ALA 11 3HB ALA 11 4.661 -7.818 -4.580 77 H THR 12 H THR 12 3.167 -9.524 -7.899 78 HA THR 12 HA THR 12 0.383 -9.800 -8.187 79 HB THR 12 HB THR 12 2.707 -11.629 -8.754 80 HG1 THR 12 1HG THR 12 1.528 -9.645 -9.998 81 HG21 THR 12 3HG2 THR 12 1.056 -13.222 -8.324 82 HG22 THR 12 1HG2 THR 12 0.864 -12.933 -10.053 83 HG23 THR 12 2HG2 THR 12 -0.243 -12.178 -8.905 84 H ARG 13 H ARG 13 2.702 -11.476 -6.101 85 HA ARG 13 HA ARG 13 0.988 -13.403 -5.022 86 HB2 ARG 13 2HB ARG 13 3.281 -11.969 -3.655 87 HB3 ARG 13 1HB ARG 13 2.571 -13.504 -3.153 88 HG2 ARG 13 2HG ARG 13 3.856 -14.626 -4.621 89 HG3 ARG 13 1HG ARG 13 3.233 -13.645 -5.951 90 HD2 ARG 13 2HD ARG 13 5.620 -13.335 -5.871 91 HD3 ARG 13 1HD ARG 13 4.857 -11.853 -5.302 92 HE ARG 13 HE ARG 13 5.469 -13.637 -3.138 93 HH11 ARG 13 1HH2 ARG 13 6.768 -11.314 -5.349 94 HH12 ARG 13 2HH2 ARG 13 8.067 -10.840 -4.304 95 HH21 ARG 13 1HH1 ARG 13 7.169 -13.022 -1.763 96 HH22 ARG 13 2HH1 ARG 13 8.294 -11.808 -2.274 97 H GLU 14 H GLU 14 1.316 -9.989 -4.367 98 HA GLU 14 HA GLU 14 -0.149 -10.018 -1.895 99 HB2 GLU 14 2HB GLU 14 0.024 -7.552 -3.557 100 HB3 GLU 14 1HB GLU 14 0.232 -7.766 -1.820 101 HG2 GLU 14 2HG GLU 14 2.318 -9.232 -2.719 102 HG3 GLU 14 1HG GLU 14 2.210 -8.028 -4.001 103 H SER 15 H SER 15 -2.173 -8.610 -1.711 104 HA SER 15 HA SER 15 -3.946 -8.946 -4.042 105 HB2 SER 15 2HB SER 15 -5.731 -9.630 -2.342 106 HB3 SER 15 1HB SER 15 -4.516 -10.809 -2.795 107 HG SER 15 HG SER 15 -5.004 -9.651 -0.384 108 H LEU 16 H LEU 16 -5.206 -7.260 -4.414 109 HA LEU 16 HA LEU 16 -4.946 -4.912 -2.744 110 HB2 LEU 16 2HB LEU 16 -5.537 -5.383 -5.446 111 HB3 LEU 16 1HB LEU 16 -7.008 -4.687 -4.765 112 HG LEU 16 HG LEU 16 -5.486 -2.918 -5.579 113 HD11 LEU 16 1HD1 LEU 16 -5.072 -2.029 -3.004 114 HD12 LEU 16 2HD1 LEU 16 -6.362 -3.212 -2.786 115 HD13 LEU 16 3HD1 LEU 16 -6.583 -1.861 -3.898 116 HD21 LEU 16 3HD2 LEU 16 -3.504 -4.596 -4.518 117 HD22 LEU 16 1HD2 LEU 16 -3.504 -3.185 -3.461 118 HD23 LEU 16 2HD2 LEU 16 -3.260 -2.986 -5.196 119 H SER 17 H SER 17 -6.220 -4.345 -1.116 120 HA SER 17 HA SER 17 -8.808 -5.728 -0.814 121 HB2 SER 17 2HB SER 17 -8.613 -5.354 1.534 122 HB3 SER 17 1HB SER 17 -7.035 -5.916 0.993 123 HG SER 17 HG SER 17 -7.875 -3.365 1.786 124 H GLY 18 H GLY 18 -7.322 -2.645 -1.286 125 HA2 GLY 18 2HA GLY 18 -9.575 -1.270 -2.071 126 HA3 GLY 18 1HA GLY 18 -9.488 -1.031 -0.327 127 H VAL 19 H VAL 19 -9.307 1.243 -1.524 128 HA VAL 19 HA VAL 19 -6.502 1.856 -2.163 129 HB VAL 19 HB VAL 19 -8.210 2.741 -3.687 130 HG11 VAL 19 1HG1 VAL 19 -10.114 3.801 -2.999 131 HG12 VAL 19 2HG1 VAL 19 -9.294 4.631 -1.676 132 HG13 VAL 19 3HG1 VAL 19 -9.799 2.953 -1.485 133 HG21 VAL 19 3HG2 VAL 19 -7.244 4.829 -3.878 134 HG22 VAL 19 1HG2 VAL 19 -6.115 4.111 -2.728 135 HG23 VAL 19 2HG2 VAL 19 -7.401 5.173 -2.155 136 H CYS 20 H CYS 20 -5.228 2.449 -0.547 137 HA CYS 20 HA CYS 20 -6.213 3.259 2.025 138 HB2 CYS 20 2HB CYS 20 -3.547 2.853 0.758 139 HB3 CYS 20 1HB CYS 20 -3.639 3.799 2.243 140 H GLU 21 H GLU 21 -5.069 5.262 3.045 141 HA GLU 21 HA GLU 21 -4.974 7.528 1.178 142 HB2 GLU 21 2HB GLU 21 -6.795 7.328 3.588 143 HB3 GLU 21 1HB GLU 21 -6.417 8.846 2.772 144 HG2 GLU 21 2HG GLU 21 -7.317 7.973 0.669 145 HG3 GLU 21 1HG GLU 21 -7.638 6.417 1.432 146 H ILE 22 H ILE 22 -2.927 8.188 1.508 147 HA ILE 22 HA ILE 22 -2.106 8.708 4.301 148 HB ILE 22 HB ILE 22 -0.398 7.582 2.074 149 HG12 ILE 22 2HG1 ILE 22 -1.032 6.328 4.751 150 HG13 ILE 22 1HG1 ILE 22 -2.064 6.061 3.345 151 HG21 ILE 22 1HG2 ILE 22 1.264 7.412 4.032 152 HG22 ILE 22 2HG2 ILE 22 0.215 8.558 4.867 153 HG23 ILE 22 3HG2 ILE 22 1.000 9.019 3.356 154 HD11 ILE 22 3HD1 ILE 22 -0.598 4.623 2.431 155 HD12 ILE 22 1HD1 ILE 22 0.238 4.630 3.984 156 HD13 ILE 22 2HD1 ILE 22 0.755 5.723 2.699 157 H SER 23 H SER 23 -1.187 10.660 4.674 158 HA SER 23 HA SER 23 -0.665 12.872 4.294 159 HB2 SER 23 2HB SER 23 0.821 13.075 2.099 160 HB3 SER 23 1HB SER 23 1.442 12.322 3.564 161 HG SER 23 HG SER 23 1.726 10.657 2.310 162 H GLY 24 H GLY 24 -3.214 12.056 3.338 163 HA2 GLY 24 2HA GLY 24 -4.949 13.055 2.181 164 HA3 GLY 24 1HA GLY 24 -3.798 14.245 1.580 165 H ARG 25 H ARG 25 -2.179 11.695 0.755 166 HA ARG 25 HA ARG 25 -3.351 11.558 -1.918 167 HB2 ARG 25 2HB ARG 25 -0.962 12.048 -1.762 168 HB3 ARG 25 1HB ARG 25 -0.703 10.559 -0.860 169 HG2 ARG 25 2HG ARG 25 -1.366 9.208 -2.749 170 HG3 ARG 25 1HG ARG 25 -1.894 10.635 -3.644 171 HD2 ARG 25 2HD ARG 25 0.303 9.935 -4.448 172 HD3 ARG 25 1HD ARG 25 0.442 11.483 -3.622 173 HE ARG 25 HE ARG 25 0.913 9.311 -1.823 174 HH11 ARG 25 1HH2 ARG 25 2.279 11.171 -4.404 175 HH12 ARG 25 2HH2 ARG 25 3.918 10.915 -3.905 176 HH21 ARG 25 1HH1 ARG 25 3.060 8.974 -1.162 177 HH22 ARG 25 2HH1 ARG 25 4.360 9.672 -2.070 178 H LEU 26 H LEU 26 -4.146 9.735 -2.842 179 HA LEU 26 HA LEU 26 -5.050 7.652 -1.109 180 HB2 LEU 26 2HB LEU 26 -5.201 8.175 -4.057 181 HB3 LEU 26 1HB LEU 26 -5.663 6.597 -3.421 182 HG LEU 26 HG LEU 26 -7.137 7.888 -1.755 183 HD11 LEU 26 1HD1 LEU 26 -7.868 10.129 -2.873 184 HD12 LEU 26 2HD1 LEU 26 -6.292 10.059 -3.661 185 HD13 LEU 26 3HD1 LEU 26 -6.396 10.110 -1.902 186 HD21 LEU 26 3HD2 LEU 26 -8.306 6.720 -3.418 187 HD22 LEU 26 1HD2 LEU 26 -7.601 7.674 -4.722 188 HD23 LEU 26 2HD2 LEU 26 -8.841 8.378 -3.685 189 H TYR 27 H TYR 27 -4.284 5.644 -0.779 190 HA TYR 27 HA TYR 27 -1.807 4.857 -2.192 191 HB2 TYR 27 2HB TYR 27 -2.508 4.781 0.691 192 HB3 TYR 27 1HB TYR 27 -1.511 3.492 0.020 193 HD1 TYR 27 2HD TYR 27 -1.766 7.208 -0.439 194 HD2 TYR 27 1HD TYR 27 0.761 3.815 0.273 195 HE1 TYR 27 2HE TYR 27 0.218 8.684 -0.400 196 HE2 TYR 27 1HE TYR 27 2.747 5.296 0.309 197 HH TYR 27 HH TYR 27 3.488 7.388 -0.244 198 H ARG 28 H ARG 28 -1.450 2.512 -2.318 199 HA ARG 28 HA ARG 28 -4.012 1.132 -2.796 200 HB2 ARG 28 2HB ARG 28 -1.182 0.634 -3.759 201 HB3 ARG 28 1HB ARG 28 -2.496 -0.514 -4.024 202 HG2 ARG 28 2HG ARG 28 -2.598 0.754 -5.975 203 HG3 ARG 28 1HG ARG 28 -3.765 1.592 -4.953 204 HD2 ARG 28 2HD ARG 28 -1.902 3.140 -4.239 205 HD3 ARG 28 1HD ARG 28 -0.882 2.376 -5.455 206 HE ARG 28 HE ARG 28 -3.144 3.151 -6.818 207 HH11 ARG 28 1HH2 ARG 28 -0.778 4.657 -4.791 208 HH12 ARG 28 2HH2 ARG 28 -0.888 6.198 -5.573 209 HH21 ARG 28 1HH1 ARG 28 -3.301 5.172 -7.842 210 HH22 ARG 28 2HH1 ARG 28 -2.317 6.490 -7.300 211 H LEU 29 H LEU 29 -4.664 -0.489 -1.524 212 HA LEU 29 HA LEU 29 -2.843 -1.401 0.596 213 HB2 LEU 29 2HB LEU 29 -4.989 -0.518 1.342 214 HB3 LEU 29 1HB LEU 29 -5.844 -1.658 0.303 215 HG LEU 29 HG LEU 29 -4.952 -3.550 1.567 216 HD11 LEU 29 1HD1 LEU 29 -3.286 -1.372 2.784 217 HD12 LEU 29 2HD1 LEU 29 -2.812 -2.997 2.289 218 HD13 LEU 29 3HD1 LEU 29 -3.715 -2.756 3.785 219 HD21 LEU 29 3HD2 LEU 29 -5.777 -1.665 3.746 220 HD22 LEU 29 1HD2 LEU 29 -6.343 -3.300 3.405 221 HD23 LEU 29 2HD2 LEU 29 -6.911 -1.950 2.425 222 H CYS 30 H CYS 30 -1.681 -3.134 -0.009 223 HA CYS 30 HA CYS 30 -3.112 -5.289 -1.418 224 HB2 CYS 30 2HB CYS 30 -0.922 -6.032 -2.224 225 HB3 CYS 30 1HB CYS 30 -1.265 -4.382 -2.715 226 H CYS 31 H CYS 31 -2.887 -7.466 -0.647 227 HA CYS 31 HA CYS 31 -1.651 -7.652 2.026 228 HB2 CYS 31 2HB CYS 31 -4.102 -9.113 1.055 229 HB3 CYS 31 1HB CYS 31 -3.425 -9.155 2.672 230 H ARG 32 H ARG 32 -0.354 -9.379 2.411 231 HA ARG 32 HA ARG 32 -0.269 -11.566 0.456 232 HB2 ARG 32 2HB ARG 32 2.145 -11.382 0.197 233 HB3 ARG 32 1HB ARG 32 1.363 -9.885 -0.316 234 HG2 ARG 32 2HG ARG 32 1.745 -9.158 2.178 235 HG3 ARG 32 1HG ARG 32 2.974 -10.424 2.158 236 HD2 ARG 32 2HD ARG 32 3.963 -9.381 0.127 237 HD3 ARG 32 1HD ARG 32 2.781 -8.079 0.258 238 HE ARG 32 HE ARG 32 4.127 -8.292 2.723 239 HH11 ARG 32 1HH2 ARG 32 4.721 -7.467 -0.584 240 HH12 ARG 32 2HH2 ARG 32 6.002 -6.359 -0.222 241 HH21 ARG 32 1HH1 ARG 32 5.808 -6.843 3.207 242 HH22 ARG 32 2HH1 ARG 32 6.618 -6.004 1.923 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 -1.694 -13.790 6.051 2 H2 ALA 1 2HT ALA 1 -2.600 -14.228 4.683 3 H3 ALA 1 3HT ALA 1 -3.138 -12.974 5.694 4 HA ALA 1 HA ALA 1 -0.592 -12.878 4.178 5 HB1 ALA 1 2HB ALA 1 -3.377 -12.386 3.355 6 HB2 ALA 1 3HB ALA 1 -1.941 -12.646 2.366 7 HB3 ALA 1 1HB ALA 1 -2.283 -11.045 3.021 8 H THR 2 H THR 2 -0.182 -10.400 3.824 9 HA THR 2 HA THR 2 -0.724 -9.008 6.375 10 HB THR 2 HB THR 2 1.771 -8.915 4.656 11 HG1 THR 2 1HG THR 2 1.273 -10.744 6.160 12 HG21 THR 2 3HG2 THR 2 1.952 -6.842 5.556 13 HG22 THR 2 1HG2 THR 2 2.346 -7.695 7.048 14 HG23 THR 2 2HG2 THR 2 0.694 -7.154 6.751 15 H CYS 3 H CYS 3 -2.179 -7.483 5.962 16 HA CYS 3 HA CYS 3 -2.285 -6.154 3.384 17 HB2 CYS 3 2HB CYS 3 -3.955 -5.843 5.891 18 HB3 CYS 3 1HB CYS 3 -4.248 -4.991 4.382 19 H TYR 4 H TYR 4 -1.599 -4.130 2.938 20 HA TYR 4 HA TYR 4 -1.107 -2.160 4.963 21 HB2 TYR 4 2HB TYR 4 1.307 -1.979 4.689 22 HB3 TYR 4 1HB TYR 4 0.891 -3.596 5.257 23 HD1 TYR 4 1HD TYR 4 1.996 -1.602 2.354 24 HD2 TYR 4 2HD TYR 4 1.132 -5.543 3.827 25 HE1 TYR 4 1HE TYR 4 3.105 -2.588 0.366 26 HE2 TYR 4 2HE TYR 4 2.238 -6.528 1.840 27 HH TYR 4 HH TYR 4 4.024 -4.548 -0.439 28 H CYS 5 H CYS 5 -0.576 -0.103 4.076 29 HA CYS 5 HA CYS 5 -1.395 0.153 1.284 30 HB2 CYS 5 2HB CYS 5 -0.709 2.475 3.053 31 HB3 CYS 5 1HB CYS 5 -1.884 2.360 1.783 32 H ARG 6 H ARG 6 -0.161 1.115 -0.318 33 HA ARG 6 HA ARG 6 2.589 1.904 0.326 34 HB2 ARG 6 2HB ARG 6 3.542 0.488 -1.402 35 HB3 ARG 6 1HB ARG 6 2.644 -0.521 -0.266 36 HG2 ARG 6 2HG ARG 6 0.976 -0.993 -1.773 37 HG3 ARG 6 1HG ARG 6 1.156 0.533 -2.628 38 HD2 ARG 6 2HD ARG 6 1.948 -1.436 -3.950 39 HD3 ARG 6 1HD ARG 6 3.189 -0.215 -3.693 40 HE ARG 6 HE ARG 6 3.238 -2.239 -1.657 41 HH11 ARG 6 1HH2 ARG 6 4.131 -1.452 -4.907 42 HH12 ARG 6 2HH2 ARG 6 5.476 -2.543 -4.948 43 HH21 ARG 6 1HH1 ARG 6 4.999 -3.672 -1.704 44 HH22 ARG 6 2HH1 ARG 6 5.967 -3.799 -3.133 45 H THR 7 H THR 7 3.589 3.182 -1.330 46 HA THR 7 HA THR 7 1.683 4.809 -2.783 47 HB THR 7 HB THR 7 4.691 4.996 -2.936 48 HG1 THR 7 1HG THR 7 4.065 4.955 -0.759 49 HG21 THR 7 3HG2 THR 7 3.730 6.482 -4.473 50 HG22 THR 7 1HG2 THR 7 3.928 7.487 -3.038 51 HG23 THR 7 2HG2 THR 7 2.346 6.812 -3.430 52 H GLY 8 H GLY 8 0.958 2.966 -4.148 53 HA2 GLY 8 2HA GLY 8 1.186 2.952 -6.691 54 HA3 GLY 8 1HA GLY 8 2.826 2.395 -6.367 55 H ARG 9 H ARG 9 1.497 0.733 -7.901 56 HA ARG 9 HA ARG 9 -0.211 -1.151 -6.686 57 HB2 ARG 9 2HB ARG 9 0.081 -0.891 -9.137 58 HB3 ARG 9 1HB ARG 9 1.693 -1.593 -8.988 59 HG2 ARG 9 2HG ARG 9 0.804 -3.674 -8.188 60 HG3 ARG 9 1HG ARG 9 -0.812 -2.989 -8.030 61 HD2 ARG 9 2HD ARG 9 -0.744 -4.289 -10.070 62 HD3 ARG 9 1HD ARG 9 -0.815 -2.583 -10.498 63 HE ARG 9 HE ARG 9 1.891 -3.381 -10.360 64 HH11 ARG 9 1HH2 ARG 9 -0.987 -3.850 -12.225 65 HH12 ARG 9 2HH2 ARG 9 -0.143 -4.161 -13.705 66 HH21 ARG 9 1HH1 ARG 9 3.005 -3.787 -12.297 67 HH22 ARG 9 2HH1 ARG 9 2.117 -4.125 -13.746 68 H CYS 10 H CYS 10 0.281 -3.365 -6.107 69 HA CYS 10 HA CYS 10 2.895 -3.574 -4.764 70 HB2 CYS 10 2HB CYS 10 0.183 -4.721 -4.221 71 HB3 CYS 10 1HB CYS 10 1.614 -5.541 -3.606 72 H ALA 11 H ALA 11 2.991 -6.297 -4.364 73 HA ALA 11 HA ALA 11 3.873 -7.184 -6.980 74 HB1 ALA 11 1HB ALA 11 4.697 -7.665 -4.370 75 HB2 ALA 11 2HB ALA 11 5.271 -8.503 -5.813 76 HB3 ALA 11 3HB ALA 11 3.951 -9.186 -4.863 77 H THR 12 H THR 12 3.323 -9.373 -7.769 78 HA THR 12 HA THR 12 0.556 -9.674 -8.146 79 HB THR 12 HB THR 12 2.789 -11.680 -8.533 80 HG1 THR 12 1HG THR 12 1.753 -9.549 -9.964 81 HG21 THR 12 3HG2 THR 12 0.733 -12.216 -10.326 82 HG22 THR 12 1HG2 THR 12 -0.110 -11.875 -8.815 83 HG23 THR 12 2HG2 THR 12 1.109 -13.147 -8.876 84 H ARG 13 H ARG 13 2.809 -11.351 -5.983 85 HA ARG 13 HA ARG 13 1.047 -13.273 -4.961 86 HB2 ARG 13 2HB ARG 13 3.389 -11.873 -3.651 87 HB3 ARG 13 1HB ARG 13 2.569 -13.280 -2.973 88 HG2 ARG 13 2HG ARG 13 3.620 -13.348 -5.792 89 HG3 ARG 13 1HG ARG 13 4.695 -13.669 -4.430 90 HD2 ARG 13 2HD ARG 13 3.121 -15.431 -3.646 91 HD3 ARG 13 1HD ARG 13 2.125 -15.146 -5.066 92 HE ARG 13 HE ARG 13 4.795 -16.373 -5.045 93 HH11 ARG 13 1HH2 ARG 13 1.965 -15.299 -6.722 94 HH12 ARG 13 2HH2 ARG 13 2.312 -16.193 -8.162 95 HH21 ARG 13 1HH1 ARG 13 5.257 -17.548 -6.933 96 HH22 ARG 13 2HH1 ARG 13 4.175 -17.465 -8.284 97 H GLU 14 H GLU 14 1.396 -9.870 -4.265 98 HA GLU 14 HA GLU 14 -0.144 -9.909 -1.841 99 HB2 GLU 14 2HB GLU 14 0.095 -7.434 -3.485 100 HB3 GLU 14 1HB GLU 14 0.252 -7.652 -1.740 101 HG2 GLU 14 2HG GLU 14 2.356 -9.109 -2.499 102 HG3 GLU 14 1HG GLU 14 2.285 -8.009 -3.875 103 H SER 15 H SER 15 -2.211 -8.717 -1.624 104 HA SER 15 HA SER 15 -3.895 -8.915 -4.043 105 HB2 SER 15 2HB SER 15 -5.728 -9.670 -2.383 106 HB3 SER 15 1HB SER 15 -4.518 -10.824 -2.883 107 HG SER 15 HG SER 15 -4.951 -9.660 -0.433 108 H LEU 16 H LEU 16 -5.219 -7.236 -4.372 109 HA LEU 16 HA LEU 16 -4.977 -4.916 -2.668 110 HB2 LEU 16 2HB LEU 16 -5.613 -5.369 -5.362 111 HB3 LEU 16 1HB LEU 16 -7.083 -4.709 -4.646 112 HG LEU 16 HG LEU 16 -5.627 -2.896 -5.455 113 HD11 LEU 16 1HD1 LEU 16 -6.629 -1.851 -3.717 114 HD12 LEU 16 2HD1 LEU 16 -5.128 -2.116 -2.832 115 HD13 LEU 16 3HD1 LEU 16 -6.458 -3.261 -2.674 116 HD21 LEU 16 3HD2 LEU 16 -3.389 -3.017 -5.216 117 HD22 LEU 16 1HD2 LEU 16 -3.587 -4.569 -4.403 118 HD23 LEU 16 2HD2 LEU 16 -3.551 -3.078 -3.461 119 H SER 17 H SER 17 -6.222 -4.438 -0.985 120 HA SER 17 HA SER 17 -8.763 -5.895 -0.656 121 HB2 SER 17 2HB SER 17 -8.524 -5.576 1.683 122 HB3 SER 17 1HB SER 17 -6.911 -5.986 1.114 123 HG SER 17 HG SER 17 -7.883 -3.338 1.423 124 H GLY 18 H GLY 18 -7.357 -2.715 -0.949 125 HA2 GLY 18 2HA GLY 18 -9.724 -1.444 -1.724 126 HA3 GLY 18 1HA GLY 18 -9.535 -1.183 0.008 127 H VAL 19 H VAL 19 -9.505 1.079 -1.218 128 HA VAL 19 HA VAL 19 -6.766 1.772 -2.038 129 HB VAL 19 HB VAL 19 -8.396 2.667 -3.521 130 HG11 VAL 19 1HG1 VAL 19 -10.131 4.307 -2.211 131 HG12 VAL 19 2HG1 VAL 19 -9.922 3.034 -1.008 132 HG13 VAL 19 3HG1 VAL 19 -10.497 2.632 -2.626 133 HG21 VAL 19 3HG2 VAL 19 -6.667 4.287 -2.140 134 HG22 VAL 19 1HG2 VAL 19 -8.203 5.115 -1.879 135 HG23 VAL 19 2HG2 VAL 19 -7.632 4.814 -3.521 136 H CYS 20 H CYS 20 -5.403 2.457 -0.530 137 HA CYS 20 HA CYS 20 -6.324 3.332 2.069 138 HB2 CYS 20 2HB CYS 20 -3.701 2.723 0.801 139 HB3 CYS 20 1HB CYS 20 -3.704 3.762 2.228 140 H GLU 21 H GLU 21 -4.774 5.291 2.906 141 HA GLU 21 HA GLU 21 -4.673 7.474 0.985 142 HB2 GLU 21 2HB GLU 21 -6.064 8.930 2.545 143 HB3 GLU 21 1HB GLU 21 -6.954 7.732 1.602 144 HG2 GLU 21 2HG GLU 21 -6.876 6.182 3.543 145 HG3 GLU 21 1HG GLU 21 -6.059 7.429 4.484 146 H ILE 22 H ILE 22 -2.708 8.280 1.340 147 HA ILE 22 HA ILE 22 -1.885 8.753 4.138 148 HB ILE 22 HB ILE 22 0.107 7.982 2.023 149 HG12 ILE 22 2HG1 ILE 22 -1.633 6.202 2.118 150 HG13 ILE 22 1HG1 ILE 22 -0.081 5.647 2.742 151 HG21 ILE 22 1HG2 ILE 22 0.210 8.760 4.742 152 HG22 ILE 22 2HG2 ILE 22 1.538 8.158 3.753 153 HG23 ILE 22 3HG2 ILE 22 0.574 7.036 4.710 154 HD11 ILE 22 3HD1 ILE 22 -1.426 6.785 4.943 155 HD12 ILE 22 1HD1 ILE 22 -1.125 5.074 4.648 156 HD13 ILE 22 2HD1 ILE 22 -2.626 5.809 4.098 157 H SER 23 H SER 23 -0.887 10.678 4.531 158 HA SER 23 HA SER 23 -0.368 12.894 4.191 159 HB2 SER 23 2HB SER 23 0.984 13.185 1.934 160 HB3 SER 23 1HB SER 23 1.685 12.330 3.304 161 HG SER 23 HG SER 23 0.727 11.371 0.874 162 H GLY 24 H GLY 24 -2.913 11.750 3.024 163 HA2 GLY 24 2HA GLY 24 -4.737 12.950 2.143 164 HA3 GLY 24 1HA GLY 24 -3.612 14.116 1.455 165 H ARG 25 H ARG 25 -1.964 11.816 0.394 166 HA ARG 25 HA ARG 25 -3.324 11.597 -2.146 167 HB2 ARG 25 2HB ARG 25 -0.951 11.965 -2.211 168 HB3 ARG 25 1HB ARG 25 -0.659 10.577 -1.164 169 HG2 ARG 25 2HG ARG 25 -1.464 9.048 -2.862 170 HG3 ARG 25 1HG ARG 25 -1.961 10.390 -3.895 171 HD2 ARG 25 2HD ARG 25 0.168 9.555 -4.701 172 HD3 ARG 25 1HD ARG 25 0.429 11.136 -3.971 173 HE ARG 25 HE ARG 25 0.871 8.769 -2.291 174 HH11 ARG 25 1HH2 ARG 25 2.089 11.412 -4.165 175 HH12 ARG 25 2HH2 ARG 25 3.675 11.351 -3.473 176 HH21 ARG 25 1HH1 ARG 25 2.950 8.682 -1.383 177 HH22 ARG 25 2HH1 ARG 25 4.164 9.805 -1.899 178 H LEU 26 H LEU 26 -4.190 9.783 -3.065 179 HA LEU 26 HA LEU 26 -5.190 7.772 -1.321 180 HB2 LEU 26 2HB LEU 26 -6.409 7.035 -3.135 181 HB3 LEU 26 1HB LEU 26 -6.061 8.683 -3.656 182 HG LEU 26 HG LEU 26 -3.921 7.670 -4.716 183 HD11 LEU 26 1HD1 LEU 26 -3.625 5.444 -4.519 184 HD12 LEU 26 2HD1 LEU 26 -5.179 5.160 -5.297 185 HD13 LEU 26 3HD1 LEU 26 -5.092 5.341 -3.547 186 HD21 LEU 26 3HD2 LEU 26 -5.510 6.693 -6.628 187 HD22 LEU 26 1HD2 LEU 26 -5.405 8.423 -6.307 188 HD23 LEU 26 2HD2 LEU 26 -6.747 7.485 -5.652 189 H TYR 27 H TYR 27 -4.435 5.799 -0.826 190 HA TYR 27 HA TYR 27 -1.973 4.877 -2.177 191 HB2 TYR 27 2HB TYR 27 -2.730 4.970 0.682 192 HB3 TYR 27 1HB TYR 27 -1.787 3.598 0.120 193 HD1 TYR 27 1HD TYR 27 -1.828 7.261 -0.667 194 HD2 TYR 27 2HD TYR 27 0.487 3.844 0.510 195 HE1 TYR 27 1HE TYR 27 0.226 8.651 -0.669 196 HE2 TYR 27 2HE TYR 27 2.541 5.233 0.508 197 HH TYR 27 HH TYR 27 2.986 7.852 0.817 198 H ARG 28 H ARG 28 -1.675 2.545 -2.272 199 HA ARG 28 HA ARG 28 -4.271 1.175 -2.636 200 HB2 ARG 28 2HB ARG 28 -1.521 0.415 -3.673 201 HB3 ARG 28 1HB ARG 28 -3.050 -0.363 -4.087 202 HG2 ARG 28 2HG ARG 28 -3.648 1.288 -5.529 203 HG3 ARG 28 1HG ARG 28 -3.021 2.562 -4.482 204 HD2 ARG 28 2HD ARG 28 -0.734 2.040 -5.185 205 HD3 ARG 28 1HD ARG 28 -1.324 0.722 -6.194 206 HE ARG 28 HE ARG 28 -1.551 3.584 -6.754 207 HH11 ARG 28 1HH2 ARG 28 -2.424 0.318 -7.492 208 HH12 ARG 28 2HH2 ARG 28 -2.937 0.674 -9.108 209 HH21 ARG 28 1HH1 ARG 28 -2.220 4.059 -8.872 210 HH22 ARG 28 2HH1 ARG 28 -2.821 2.791 -9.889 211 H LEU 29 H LEU 29 -4.825 -0.508 -1.386 212 HA LEU 29 HA LEU 29 -2.900 -1.393 0.653 213 HB2 LEU 29 2HB LEU 29 -5.013 -0.560 1.526 214 HB3 LEU 29 1HB LEU 29 -5.912 -1.671 0.496 215 HG LEU 29 HG LEU 29 -4.955 -3.597 1.654 216 HD11 LEU 29 1HD1 LEU 29 -3.227 -1.455 2.844 217 HD12 LEU 29 2HD1 LEU 29 -2.800 -3.083 2.317 218 HD13 LEU 29 3HD1 LEU 29 -3.632 -2.847 3.852 219 HD21 LEU 29 3HD2 LEU 29 -5.678 -1.828 3.954 220 HD22 LEU 29 1HD2 LEU 29 -6.296 -3.423 3.523 221 HD23 LEU 29 2HD2 LEU 29 -6.865 -1.994 2.660 222 H CYS 30 H CYS 30 -1.755 -3.107 0.008 223 HA CYS 30 HA CYS 30 -3.167 -5.265 -1.415 224 HB2 CYS 30 2HB CYS 30 -0.934 -5.976 -2.190 225 HB3 CYS 30 1HB CYS 30 -1.339 -4.360 -2.720 226 H CYS 31 H CYS 31 -2.924 -7.433 -0.701 227 HA CYS 31 HA CYS 31 -1.679 -7.710 1.960 228 HB2 CYS 31 2HB CYS 31 -4.132 -9.153 0.974 229 HB3 CYS 31 1HB CYS 31 -3.447 -9.215 2.579 230 H ARG 32 H ARG 32 -0.285 -9.356 2.210 231 HA ARG 32 HA ARG 32 -0.213 -11.466 0.148 232 HB2 ARG 32 2HB ARG 32 2.226 -11.318 0.051 233 HB3 ARG 32 1HB ARG 32 1.488 -9.787 -0.425 234 HG2 ARG 32 2HG ARG 32 1.720 -9.278 2.180 235 HG3 ARG 32 1HG ARG 32 3.017 -10.466 2.051 236 HD2 ARG 32 2HD ARG 32 2.748 -8.074 0.224 237 HD3 ARG 32 1HD ARG 32 3.751 -8.084 1.675 238 HE ARG 32 HE ARG 32 4.373 -9.340 -0.840 239 HH11 ARG 32 1HH2 ARG 32 4.783 -9.432 2.595 240 HH12 ARG 32 2HH2 ARG 32 6.291 -10.280 2.532 241 HH21 ARG 32 1HH1 ARG 32 6.351 -10.454 -0.931 242 HH22 ARG 32 2HH1 ARG 32 7.179 -10.859 0.535 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 -3.352 -12.836 5.522 2 H2 ALA 1 2HT ALA 1 -2.009 -13.403 6.394 3 H3 ALA 1 3HT ALA 1 -2.504 -14.200 4.978 4 HA ALA 1 HA ALA 1 -0.593 -12.913 4.441 5 HB1 ALA 1 2HB ALA 1 -2.138 -10.992 3.136 6 HB2 ALA 1 3HB ALA 1 -3.242 -12.348 3.359 7 HB3 ALA 1 1HB ALA 1 -1.716 -12.586 2.509 8 H THR 2 H THR 2 -0.118 -10.410 3.918 9 HA THR 2 HA THR 2 -0.555 -8.937 6.445 10 HB THR 2 HB THR 2 1.862 -8.995 4.624 11 HG1 THR 2 1HG THR 2 1.378 -10.640 6.349 12 HG21 THR 2 3HG2 THR 2 2.071 -6.830 5.286 13 HG22 THR 2 1HG2 THR 2 2.601 -7.543 6.809 14 HG23 THR 2 2HG2 THR 2 0.928 -7.022 6.615 15 H CYS 3 H CYS 3 -2.017 -7.453 6.045 16 HA CYS 3 HA CYS 3 -2.217 -6.130 3.465 17 HB2 CYS 3 2HB CYS 3 -3.808 -5.842 6.025 18 HB3 CYS 3 1HB CYS 3 -4.154 -4.983 4.531 19 H TYR 4 H TYR 4 -1.565 -4.086 3.018 20 HA TYR 4 HA TYR 4 -1.065 -2.122 5.052 21 HB2 TYR 4 2HB TYR 4 1.344 -1.890 4.689 22 HB3 TYR 4 1HB TYR 4 0.966 -3.502 5.298 23 HD1 TYR 4 2HD TYR 4 1.104 -5.469 3.849 24 HD2 TYR 4 1HD TYR 4 2.041 -1.545 2.375 25 HE1 TYR 4 2HE TYR 4 2.166 -6.475 1.846 26 HE2 TYR 4 1HE TYR 4 3.104 -2.551 0.372 27 HH TYR 4 HH TYR 4 3.739 -4.437 -0.618 28 H CYS 5 H CYS 5 -0.546 -0.037 4.158 29 HA CYS 5 HA CYS 5 -1.461 0.213 1.392 30 HB2 CYS 5 2HB CYS 5 -0.713 2.500 3.193 31 HB3 CYS 5 1HB CYS 5 -1.832 2.474 1.868 32 H ARG 6 H ARG 6 -0.238 1.072 -0.264 33 HA ARG 6 HA ARG 6 2.560 1.793 0.316 34 HB2 ARG 6 2HB ARG 6 3.373 0.427 -1.511 35 HB3 ARG 6 1HB ARG 6 2.460 -0.596 -0.404 36 HG2 ARG 6 2HG ARG 6 0.743 -0.919 -1.891 37 HG3 ARG 6 1HG ARG 6 0.946 0.654 -2.652 38 HD2 ARG 6 2HD ARG 6 2.981 -1.554 -2.936 39 HD3 ARG 6 1HD ARG 6 1.638 -1.347 -4.054 40 HE ARG 6 HE ARG 6 2.677 1.078 -4.180 41 HH11 ARG 6 1HH2 ARG 6 4.249 -1.996 -3.987 42 HH12 ARG 6 2HH2 ARG 6 5.656 -1.487 -4.861 43 HH21 ARG 6 1HH1 ARG 6 4.521 1.755 -5.326 44 HH22 ARG 6 2HH1 ARG 6 5.810 0.636 -5.618 45 H THR 7 H THR 7 3.585 3.035 -1.399 46 HA THR 7 HA THR 7 1.684 4.825 -2.686 47 HB THR 7 HB THR 7 4.708 4.884 -2.770 48 HG1 THR 7 1HG THR 7 4.232 5.128 -0.678 49 HG21 THR 7 3HG2 THR 7 3.007 6.245 -4.348 50 HG22 THR 7 1HG2 THR 7 4.517 6.942 -3.760 51 HG23 THR 7 2HG2 THR 7 2.999 7.312 -2.942 52 H GLY 8 H GLY 8 0.906 2.992 -4.091 53 HA2 GLY 8 2HA GLY 8 1.062 3.094 -6.644 54 HA3 GLY 8 1HA GLY 8 2.703 2.509 -6.389 55 H ARG 9 H ARG 9 1.656 0.802 -7.893 56 HA ARG 9 HA ARG 9 -0.187 -1.067 -6.801 57 HB2 ARG 9 2HB ARG 9 0.370 -0.672 -9.259 58 HB3 ARG 9 1HB ARG 9 1.831 -1.618 -8.973 59 HG2 ARG 9 2HG ARG 9 0.386 -3.298 -9.628 60 HG3 ARG 9 1HG ARG 9 0.113 -3.315 -7.890 61 HD2 ARG 9 2HD ARG 9 -1.859 -1.918 -8.130 62 HD3 ARG 9 1HD ARG 9 -1.553 -1.726 -9.853 63 HE ARG 9 HE ARG 9 -2.392 -3.882 -10.207 64 HH11 ARG 9 1HH2 ARG 9 -1.953 -3.197 -6.842 65 HH12 ARG 9 2HH2 ARG 9 -2.828 -4.590 -6.303 66 HH21 ARG 9 1HH1 ARG 9 -3.541 -5.710 -9.506 67 HH22 ARG 9 2HH1 ARG 9 -3.726 -6.014 -7.811 68 H CYS 10 H CYS 10 0.261 -3.257 -6.185 69 HA CYS 10 HA CYS 10 2.842 -3.521 -4.782 70 HB2 CYS 10 2HB CYS 10 0.081 -4.566 -4.299 71 HB3 CYS 10 1HB CYS 10 1.458 -5.473 -3.681 72 H ALA 11 H ALA 11 2.904 -6.235 -4.390 73 HA ALA 11 HA ALA 11 3.798 -7.145 -6.988 74 HB1 ALA 11 1HB ALA 11 3.800 -9.203 -4.967 75 HB2 ALA 11 2HB ALA 11 4.467 -7.705 -4.317 76 HB3 ALA 11 3HB ALA 11 5.167 -8.426 -5.768 77 H THR 12 H THR 12 3.177 -9.255 -7.864 78 HA THR 12 HA THR 12 0.398 -9.474 -8.239 79 HB THR 12 HB THR 12 2.722 -11.272 -8.868 80 HG1 THR 12 1HG THR 12 1.338 -9.289 -10.059 81 HG21 THR 12 3HG2 THR 12 1.067 -12.889 -8.526 82 HG22 THR 12 1HG2 THR 12 0.911 -12.528 -10.246 83 HG23 THR 12 2HG2 THR 12 -0.223 -11.827 -9.092 84 H ARG 13 H ARG 13 2.642 -11.297 -6.208 85 HA ARG 13 HA ARG 13 0.873 -13.262 -5.284 86 HB2 ARG 13 2HB ARG 13 3.203 -11.952 -3.858 87 HB3 ARG 13 1HB ARG 13 2.427 -13.460 -3.370 88 HG2 ARG 13 2HG ARG 13 3.612 -14.630 -4.887 89 HG3 ARG 13 1HG ARG 13 3.092 -13.549 -6.185 90 HD2 ARG 13 2HD ARG 13 4.894 -12.080 -5.852 91 HD3 ARG 13 1HD ARG 13 5.242 -12.719 -4.247 92 HE ARG 13 HE ARG 13 6.384 -14.518 -5.251 93 HH11 ARG 13 1HH2 ARG 13 4.781 -12.485 -7.547 94 HH12 ARG 13 2HH2 ARG 13 5.599 -13.156 -8.920 95 HH21 ARG 13 1HH1 ARG 13 7.461 -15.402 -7.046 96 HH22 ARG 13 2HH1 ARG 13 7.115 -14.807 -8.636 97 H GLU 14 H GLU 14 1.265 -9.903 -4.396 98 HA GLU 14 HA GLU 14 -0.210 -10.050 -1.944 99 HB2 GLU 14 2HB GLU 14 -0.052 -7.504 -3.484 100 HB3 GLU 14 1HB GLU 14 0.171 -7.796 -1.759 101 HG2 GLU 14 2HG GLU 14 2.275 -9.155 -2.563 102 HG3 GLU 14 1HG GLU 14 2.124 -8.132 -3.991 103 H SER 15 H SER 15 -2.239 -8.736 -1.637 104 HA SER 15 HA SER 15 -4.038 -8.973 -3.965 105 HB2 SER 15 2HB SER 15 -5.799 -9.671 -2.248 106 HB3 SER 15 1HB SER 15 -4.602 -10.853 -2.714 107 HG SER 15 HG SER 15 -3.454 -9.700 -0.782 108 H LEU 16 H LEU 16 -5.239 -7.264 -4.321 109 HA LEU 16 HA LEU 16 -4.975 -4.949 -2.626 110 HB2 LEU 16 2HB LEU 16 -5.531 -5.367 -5.330 111 HB3 LEU 16 1HB LEU 16 -7.026 -4.710 -4.664 112 HG LEU 16 HG LEU 16 -5.544 -2.893 -5.408 113 HD11 LEU 16 1HD1 LEU 16 -6.579 -3.232 -2.737 114 HD12 LEU 16 2HD1 LEU 16 -6.483 -1.761 -3.705 115 HD13 LEU 16 3HD1 LEU 16 -5.124 -2.237 -2.686 116 HD21 LEU 16 3HD2 LEU 16 -3.549 -3.211 -3.300 117 HD22 LEU 16 1HD2 LEU 16 -3.317 -2.905 -5.021 118 HD23 LEU 16 2HD2 LEU 16 -3.524 -4.557 -4.438 119 H SER 17 H SER 17 -6.101 -4.770 -0.815 120 HA SER 17 HA SER 17 -8.727 -6.033 -0.566 121 HB2 SER 17 2HB SER 17 -8.503 -5.685 1.762 122 HB3 SER 17 1HB SER 17 -6.888 -6.117 1.214 123 HG SER 17 HG SER 17 -7.894 -3.703 2.139 124 H GLY 18 H GLY 18 -7.328 -2.915 -1.088 125 HA2 GLY 18 2HA GLY 18 -9.653 -1.615 -1.823 126 HA3 GLY 18 1HA GLY 18 -9.489 -1.332 -0.093 127 H VAL 19 H VAL 19 -9.421 0.911 -1.351 128 HA VAL 19 HA VAL 19 -6.667 1.573 -2.129 129 HB VAL 19 HB VAL 19 -8.694 2.324 -3.482 130 HG11 VAL 19 1HG1 VAL 19 -10.010 2.920 -1.391 131 HG12 VAL 19 2HG1 VAL 19 -10.003 4.160 -2.645 132 HG13 VAL 19 3HG1 VAL 19 -8.966 4.332 -1.230 133 HG21 VAL 19 3HG2 VAL 19 -6.631 4.235 -2.373 134 HG22 VAL 19 1HG2 VAL 19 -7.774 4.737 -3.618 135 HG23 VAL 19 2HG2 VAL 19 -6.641 3.425 -3.940 136 H CYS 20 H CYS 20 -5.313 2.506 -0.754 137 HA CYS 20 HA CYS 20 -6.262 3.370 1.874 138 HB2 CYS 20 2HB CYS 20 -3.635 2.642 0.668 139 HB3 CYS 20 1HB CYS 20 -3.641 3.707 2.073 140 H GLU 21 H GLU 21 -5.189 5.367 2.792 141 HA GLU 21 HA GLU 21 -4.691 7.464 0.797 142 HB2 GLU 21 2HB GLU 21 -7.114 7.552 1.319 143 HB3 GLU 21 1HB GLU 21 -6.722 7.738 3.030 144 HG2 GLU 21 2HG GLU 21 -5.483 9.808 2.527 145 HG3 GLU 21 1HG GLU 21 -5.867 9.624 0.817 146 H ILE 22 H ILE 22 -2.733 8.193 1.350 147 HA ILE 22 HA ILE 22 -2.198 8.699 4.216 148 HB ILE 22 HB ILE 22 -0.272 7.606 2.154 149 HG12 ILE 22 2HG1 ILE 22 -1.094 6.294 4.743 150 HG13 ILE 22 1HG1 ILE 22 -2.079 6.092 3.295 151 HG21 ILE 22 1HG2 ILE 22 1.195 8.762 3.478 152 HG22 ILE 22 2HG2 ILE 22 0.976 7.380 4.552 153 HG23 ILE 22 3HG2 ILE 22 0.059 8.862 4.822 154 HD11 ILE 22 3HD1 ILE 22 0.679 5.699 2.601 155 HD12 ILE 22 1HD1 ILE 22 -0.656 4.551 2.509 156 HD13 ILE 22 2HD1 ILE 22 0.289 4.691 3.993 157 H SER 23 H SER 23 -1.351 10.667 4.691 158 HA SER 23 HA SER 23 -0.758 12.870 4.384 159 HB2 SER 23 2HB SER 23 0.864 13.085 2.279 160 HB3 SER 23 1HB SER 23 1.390 12.342 3.785 161 HG SER 23 HG SER 23 0.794 10.318 2.878 162 H GLY 24 H GLY 24 -3.234 12.034 3.217 163 HA2 GLY 24 2HA GLY 24 -4.887 13.065 1.970 164 HA3 GLY 24 1HA GLY 24 -3.701 14.267 1.472 165 H ARG 25 H ARG 25 -2.062 11.666 0.753 166 HA ARG 25 HA ARG 25 -2.898 11.678 -2.029 167 HB2 ARG 25 2HB ARG 25 -0.530 11.842 -1.636 168 HB3 ARG 25 1HB ARG 25 -0.555 10.408 -0.614 169 HG2 ARG 25 2HG ARG 25 -1.210 9.021 -2.526 170 HG3 ARG 25 1HG ARG 25 -1.278 10.448 -3.559 171 HD2 ARG 25 2HD ARG 25 1.117 10.835 -3.224 172 HD3 ARG 25 1HD ARG 25 1.207 9.463 -2.128 173 HE ARG 25 HE ARG 25 1.039 8.014 -3.980 174 HH11 ARG 25 1HH2 ARG 25 0.686 11.350 -4.829 175 HH12 ARG 25 2HH2 ARG 25 0.871 11.079 -6.529 176 HH21 ARG 25 1HH1 ARG 25 1.282 7.651 -6.205 177 HH22 ARG 25 2HH1 ARG 25 1.208 8.984 -7.309 178 H LEU 26 H LEU 26 -3.205 9.690 -3.233 179 HA LEU 26 HA LEU 26 -4.839 7.814 -1.712 180 HB2 LEU 26 2HB LEU 26 -5.501 8.811 -3.966 181 HB3 LEU 26 1HB LEU 26 -4.274 7.766 -4.680 182 HG LEU 26 HG LEU 26 -5.419 5.826 -3.469 183 HD11 LEU 26 1HD1 LEU 26 -8.028 6.910 -3.391 184 HD12 LEU 26 2HD1 LEU 26 -7.002 8.058 -2.531 185 HD13 LEU 26 3HD1 LEU 26 -7.057 6.369 -2.022 186 HD21 LEU 26 3HD2 LEU 26 -6.174 7.272 -5.879 187 HD22 LEU 26 1HD2 LEU 26 -7.556 6.416 -5.195 188 HD23 LEU 26 2HD2 LEU 26 -6.087 5.531 -5.608 189 H TYR 27 H TYR 27 -4.136 5.921 -1.014 190 HA TYR 27 HA TYR 27 -1.670 4.768 -2.170 191 HB2 TYR 27 2HB TYR 27 -2.647 4.993 0.627 192 HB3 TYR 27 1HB TYR 27 -1.719 3.571 0.160 193 HD1 TYR 27 2HD TYR 27 -1.595 7.283 -0.410 194 HD2 TYR 27 1HD TYR 27 0.565 3.671 0.442 195 HE1 TYR 27 2HE TYR 27 0.519 8.572 -0.275 196 HE2 TYR 27 1HE TYR 27 2.678 4.961 0.567 197 HH TYR 27 HH TYR 27 3.151 7.823 -0.679 198 H ARG 28 H ARG 28 -1.539 2.423 -2.156 199 HA ARG 28 HA ARG 28 -4.195 1.195 -2.552 200 HB2 ARG 28 2HB ARG 28 -1.480 0.539 -3.709 201 HB3 ARG 28 1HB ARG 28 -2.876 -0.527 -3.870 202 HG2 ARG 28 2HG ARG 28 -4.143 1.281 -4.961 203 HG3 ARG 28 1HG ARG 28 -2.760 2.363 -4.788 204 HD2 ARG 28 2HD ARG 28 -1.399 0.843 -6.177 205 HD3 ARG 28 1HD ARG 28 -2.780 -0.234 -6.352 206 HE ARG 28 HE ARG 28 -3.555 2.336 -7.197 207 HH11 ARG 28 1HH2 ARG 28 -1.421 -0.248 -8.053 208 HH12 ARG 28 2HH2 ARG 28 -1.457 0.100 -9.750 209 HH21 ARG 28 1HH1 ARG 28 -3.607 2.800 -9.419 210 HH22 ARG 28 2HH1 ARG 28 -2.695 1.826 -10.524 211 H LEU 29 H LEU 29 -4.795 -0.555 -1.373 212 HA LEU 29 HA LEU 29 -2.931 -1.434 0.732 213 HB2 LEU 29 2HB LEU 29 -5.103 -0.609 1.503 214 HB3 LEU 29 1HB LEU 29 -5.930 -1.773 0.473 215 HG LEU 29 HG LEU 29 -4.958 -3.635 1.720 216 HD11 LEU 29 1HD1 LEU 29 -3.767 -2.737 3.958 217 HD12 LEU 29 2HD1 LEU 29 -3.328 -1.413 2.880 218 HD13 LEU 29 3HD1 LEU 29 -2.855 -3.067 2.485 219 HD21 LEU 29 3HD2 LEU 29 -6.329 -3.431 3.591 220 HD22 LEU 29 1HD2 LEU 29 -6.979 -2.141 2.579 221 HD23 LEU 29 2HD2 LEU 29 -5.857 -1.755 3.883 222 H CYS 30 H CYS 30 -1.757 -3.149 0.091 223 HA CYS 30 HA CYS 30 -3.163 -5.307 -1.349 224 HB2 CYS 30 2HB CYS 30 -0.912 -6.007 -2.131 225 HB3 CYS 30 1HB CYS 30 -1.369 -4.416 -2.689 226 H CYS 31 H CYS 31 -2.917 -7.481 -0.616 227 HA CYS 31 HA CYS 31 -1.616 -7.692 2.028 228 HB2 CYS 31 2HB CYS 31 -4.090 -9.153 1.125 229 HB3 CYS 31 1HB CYS 31 -3.361 -9.207 2.711 230 H ARG 32 H ARG 32 -0.322 -9.439 2.375 231 HA ARG 32 HA ARG 32 -0.294 -11.600 0.384 232 HB2 ARG 32 2HB ARG 32 2.106 -11.399 0.030 233 HB3 ARG 32 1HB ARG 32 1.308 -9.891 -0.413 234 HG2 ARG 32 2HG ARG 32 1.785 -9.210 2.065 235 HG3 ARG 32 1HG ARG 32 2.999 -10.491 1.990 236 HD2 ARG 32 2HD ARG 32 3.907 -9.434 -0.086 237 HD3 ARG 32 1HD ARG 32 2.774 -8.104 0.148 238 HE ARG 32 HE ARG 32 4.379 -8.576 2.483 239 HH11 ARG 32 1HH2 ARG 32 4.310 -7.132 -0.663 240 HH12 ARG 32 2HH2 ARG 32 5.505 -5.936 -0.289 241 HH21 ARG 32 1HH1 ARG 32 5.948 -7.011 2.976 242 HH22 ARG 32 2HH1 ARG 32 6.432 -5.867 1.769 Start of MODEL 12 1 H1 ALA 1 1HT ALA 1 -1.394 -14.122 5.878 2 H2 ALA 1 2HT ALA 1 -2.827 -13.935 4.984 3 H3 ALA 1 3HT ALA 1 -2.557 -12.988 6.368 4 HA ALA 1 HA ALA 1 -0.481 -12.761 4.381 5 HB1 ALA 1 2HB ALA 1 -3.092 -11.407 3.748 6 HB2 ALA 1 3HB ALA 1 -2.774 -13.031 3.139 7 HB3 ALA 1 1HB ALA 1 -1.707 -11.698 2.693 8 H THR 2 H THR 2 -0.154 -10.308 4.078 9 HA THR 2 HA THR 2 -0.841 -8.893 6.578 10 HB THR 2 HB THR 2 1.765 -8.868 5.035 11 HG1 THR 2 1HG THR 2 2.442 -9.470 7.265 12 HG21 THR 2 3HG2 THR 2 0.552 -6.953 6.919 13 HG22 THR 2 1HG2 THR 2 1.852 -6.717 5.751 14 HG23 THR 2 2HG2 THR 2 2.198 -7.439 7.324 15 H CYS 3 H CYS 3 -2.223 -7.355 6.091 16 HA CYS 3 HA CYS 3 -2.243 -6.095 3.473 17 HB2 CYS 3 2HB CYS 3 -3.976 -5.661 5.917 18 HB3 CYS 3 1HB CYS 3 -4.225 -4.911 4.345 19 H TYR 4 H TYR 4 -1.524 -4.089 2.995 20 HA TYR 4 HA TYR 4 -1.039 -2.100 5.026 21 HB2 TYR 4 2HB TYR 4 1.379 -1.903 4.642 22 HB3 TYR 4 1HB TYR 4 0.974 -3.491 5.296 23 HD1 TYR 4 1HD TYR 4 1.975 -1.634 2.263 24 HD2 TYR 4 2HD TYR 4 1.179 -5.499 3.958 25 HE1 TYR 4 1HE TYR 4 3.012 -2.715 0.286 26 HE2 TYR 4 2HE TYR 4 2.215 -6.580 1.984 27 HH TYR 4 HH TYR 4 3.935 -5.921 0.219 28 H CYS 5 H CYS 5 -0.457 -0.030 4.122 29 HA CYS 5 HA CYS 5 -1.386 0.247 1.369 30 HB2 CYS 5 2HB CYS 5 -0.565 2.512 3.170 31 HB3 CYS 5 1HB CYS 5 -1.720 2.502 1.861 32 H ARG 6 H ARG 6 -0.158 1.052 -0.296 33 HA ARG 6 HA ARG 6 2.666 1.689 0.254 34 HB2 ARG 6 2HB ARG 6 3.386 0.321 -1.633 35 HB3 ARG 6 1HB ARG 6 2.511 -0.681 -0.474 36 HG2 ARG 6 2HG ARG 6 0.756 -1.025 -1.882 37 HG3 ARG 6 1HG ARG 6 0.858 0.584 -2.592 38 HD2 ARG 6 2HD ARG 6 2.895 -1.580 -3.112 39 HD3 ARG 6 1HD ARG 6 1.485 -1.309 -4.128 40 HE ARG 6 HE ARG 6 2.464 1.073 -4.316 41 HH11 ARG 6 1HH2 ARG 6 4.280 -1.858 -3.933 42 HH12 ARG 6 2HH2 ARG 6 5.687 -1.247 -4.733 43 HH21 ARG 6 1HH1 ARG 6 4.315 1.870 -5.367 44 HH22 ARG 6 2HH1 ARG 6 5.708 0.856 -5.543 45 H THR 7 H THR 7 3.705 2.906 -1.464 46 HA THR 7 HA THR 7 1.852 4.775 -2.710 47 HB THR 7 HB THR 7 3.857 5.638 -1.593 48 HG1 THR 7 1HG THR 7 3.030 6.702 -3.459 49 HG21 THR 7 3HG2 THR 7 5.760 4.449 -1.746 50 HG22 THR 7 1HG2 THR 7 5.907 4.999 -3.415 51 HG23 THR 7 2HG2 THR 7 5.096 3.474 -3.057 52 H GLY 8 H GLY 8 0.987 3.037 -4.143 53 HA2 GLY 8 2HA GLY 8 1.123 3.166 -6.687 54 HA3 GLY 8 1HA GLY 8 2.742 2.512 -6.461 55 H ARG 9 H ARG 9 1.915 0.774 -7.866 56 HA ARG 9 HA ARG 9 -0.081 -1.033 -6.849 57 HB2 ARG 9 2HB ARG 9 0.085 -2.099 -8.858 58 HB3 ARG 9 1HB ARG 9 0.817 -0.566 -9.330 59 HG2 ARG 9 2HG ARG 9 2.341 -3.011 -8.376 60 HG3 ARG 9 1HG ARG 9 2.197 -2.486 -10.048 61 HD2 ARG 9 2HD ARG 9 3.222 -0.592 -7.956 62 HD3 ARG 9 1HD ARG 9 4.307 -1.755 -8.707 63 HE ARG 9 HE ARG 9 3.081 0.563 -9.979 64 HH11 ARG 9 1HH2 ARG 9 4.732 -2.459 -10.287 65 HH12 ARG 9 2HH2 ARG 9 5.330 -2.129 -11.878 66 HH21 ARG 9 1HH1 ARG 9 3.861 1.006 -12.067 67 HH22 ARG 9 2HH1 ARG 9 4.837 -0.168 -12.887 68 H CYS 10 H CYS 10 0.330 -3.259 -6.314 69 HA CYS 10 HA CYS 10 2.872 -3.585 -4.851 70 HB2 CYS 10 2HB CYS 10 0.099 -4.641 -4.407 71 HB3 CYS 10 1HB CYS 10 1.489 -5.504 -3.748 72 H ALA 11 H ALA 11 2.746 -6.355 -4.499 73 HA ALA 11 HA ALA 11 3.662 -7.232 -7.125 74 HB1 ALA 11 1HB ALA 11 3.718 -9.270 -5.069 75 HB2 ALA 11 2HB ALA 11 4.434 -7.766 -4.485 76 HB3 ALA 11 3HB ALA 11 5.059 -8.532 -5.946 77 H THR 12 H THR 12 3.015 -9.320 -7.993 78 HA THR 12 HA THR 12 0.226 -9.574 -8.258 79 HB THR 12 HB THR 12 2.420 -11.565 -8.877 80 HG1 THR 12 1HG THR 12 2.684 -10.392 -10.581 81 HG21 THR 12 3HG2 THR 12 0.270 -11.986 -10.588 82 HG22 THR 12 1HG2 THR 12 -0.490 -11.732 -9.016 83 HG23 THR 12 2HG2 THR 12 0.717 -13.002 -9.217 84 H ARG 13 H ARG 13 2.565 -11.373 -6.307 85 HA ARG 13 HA ARG 13 0.852 -13.352 -5.315 86 HB2 ARG 13 2HB ARG 13 3.195 -12.010 -3.937 87 HB3 ARG 13 1HB ARG 13 2.464 -13.540 -3.454 88 HG2 ARG 13 2HG ARG 13 3.535 -13.112 -6.244 89 HG3 ARG 13 1HG ARG 13 4.572 -13.669 -4.930 90 HD2 ARG 13 2HD ARG 13 3.024 -15.569 -4.540 91 HD3 ARG 13 1HD ARG 13 2.036 -15.029 -5.892 92 HE ARG 13 HE ARG 13 4.695 -16.245 -6.068 93 HH11 ARG 13 1HH2 ARG 13 1.964 -14.730 -7.562 94 HH12 ARG 13 2HH2 ARG 13 2.356 -15.281 -9.157 95 HH21 ARG 13 1HH1 ARG 13 5.213 -16.973 -8.155 96 HH22 ARG 13 2HH1 ARG 13 4.196 -16.551 -9.492 97 H GLU 14 H GLU 14 1.235 -9.997 -4.434 98 HA GLU 14 HA GLU 14 -0.167 -10.156 -1.942 99 HB2 GLU 14 2HB GLU 14 -0.097 -7.625 -3.514 100 HB3 GLU 14 1HB GLU 14 0.167 -7.901 -1.793 101 HG2 GLU 14 2HG GLU 14 2.274 -9.234 -2.642 102 HG3 GLU 14 1HG GLU 14 2.079 -8.209 -4.063 103 H SER 15 H SER 15 -2.172 -8.666 -1.676 104 HA SER 15 HA SER 15 -4.060 -9.058 -3.903 105 HB2 SER 15 2HB SER 15 -5.742 -9.650 -2.008 106 HB3 SER 15 1HB SER 15 -4.652 -10.863 -2.641 107 HG SER 15 HG SER 15 -3.335 -10.608 -0.886 108 H LEU 16 H LEU 16 -5.221 -7.320 -4.302 109 HA LEU 16 HA LEU 16 -4.937 -4.975 -2.631 110 HB2 LEU 16 2HB LEU 16 -5.489 -5.438 -5.342 111 HB3 LEU 16 1HB LEU 16 -6.962 -4.719 -4.690 112 HG LEU 16 HG LEU 16 -5.416 -2.966 -5.465 113 HD11 LEU 16 1HD1 LEU 16 -5.001 -2.379 -2.686 114 HD12 LEU 16 2HD1 LEU 16 -6.557 -3.191 -2.862 115 HD13 LEU 16 3HD1 LEU 16 -6.221 -1.719 -3.775 116 HD21 LEU 16 3HD2 LEU 16 -3.442 -3.324 -3.339 117 HD22 LEU 16 1HD2 LEU 16 -3.190 -3.042 -5.061 118 HD23 LEU 16 2HD2 LEU 16 -3.456 -4.682 -4.466 119 H SER 17 H SER 17 -6.252 -4.338 -1.056 120 HA SER 17 HA SER 17 -8.853 -5.702 -0.778 121 HB2 SER 17 2HB SER 17 -8.697 -5.266 1.579 122 HB3 SER 17 1HB SER 17 -7.148 -5.925 1.065 123 HG SER 17 HG SER 17 -7.406 -3.183 0.878 124 H GLY 18 H GLY 18 -7.334 -2.651 -1.296 125 HA2 GLY 18 2HA GLY 18 -9.555 -1.258 -2.119 126 HA3 GLY 18 1HA GLY 18 -9.495 -0.999 -0.378 127 H VAL 19 H VAL 19 -9.271 1.258 -1.602 128 HA VAL 19 HA VAL 19 -6.450 1.835 -2.201 129 HB VAL 19 HB VAL 19 -8.379 2.670 -3.656 130 HG11 VAL 19 1HG1 VAL 19 -9.654 3.337 -1.456 131 HG12 VAL 19 2HG1 VAL 19 -9.796 4.360 -2.887 132 HG13 VAL 19 3HG1 VAL 19 -8.703 4.818 -1.581 133 HG21 VAL 19 3HG2 VAL 19 -6.303 4.478 -2.420 134 HG22 VAL 19 1HG2 VAL 19 -7.363 5.048 -3.710 135 HG23 VAL 19 2HG2 VAL 19 -6.272 3.691 -3.998 136 H CYS 20 H CYS 20 -5.189 2.452 -0.579 137 HA CYS 20 HA CYS 20 -6.222 3.296 1.968 138 HB2 CYS 20 2HB CYS 20 -3.537 2.819 0.770 139 HB3 CYS 20 1HB CYS 20 -3.636 3.792 2.237 140 H GLU 21 H GLU 21 -5.134 5.297 3.005 141 HA GLU 21 HA GLU 21 -4.958 7.540 1.109 142 HB2 GLU 21 2HB GLU 21 -7.298 7.437 1.920 143 HB3 GLU 21 1HB GLU 21 -6.711 7.548 3.581 144 HG2 GLU 21 2HG GLU 21 -5.704 9.723 3.115 145 HG3 GLU 21 1HG GLU 21 -6.184 9.610 1.422 146 H ILE 22 H ILE 22 -2.910 8.171 1.463 147 HA ILE 22 HA ILE 22 -2.117 8.718 4.260 148 HB ILE 22 HB ILE 22 -0.401 7.552 2.061 149 HG12 ILE 22 2HG1 ILE 22 -1.035 6.345 4.757 150 HG13 ILE 22 1HG1 ILE 22 -2.078 6.065 3.363 151 HG21 ILE 22 1HG2 ILE 22 1.275 8.586 3.177 152 HG22 ILE 22 2HG2 ILE 22 0.981 7.409 4.455 153 HG23 ILE 22 3HG2 ILE 22 0.223 9.000 4.532 154 HD11 ILE 22 3HD1 ILE 22 0.168 4.589 4.000 155 HD12 ILE 22 1HD1 ILE 22 0.765 5.693 2.760 156 HD13 ILE 22 2HD1 ILE 22 -0.608 4.639 2.418 157 H SER 23 H SER 23 -1.226 10.674 4.626 158 HA SER 23 HA SER 23 -0.654 12.869 4.243 159 HB2 SER 23 2HB SER 23 0.826 13.066 2.050 160 HB3 SER 23 1HB SER 23 1.442 12.286 3.502 161 HG SER 23 HG SER 23 1.295 11.226 1.161 162 H GLY 24 H GLY 24 -3.215 12.058 3.286 163 HA2 GLY 24 2HA GLY 24 -4.951 13.042 2.122 164 HA3 GLY 24 1HA GLY 24 -3.817 14.279 1.588 165 H ARG 25 H ARG 25 -2.374 11.452 0.820 166 HA ARG 25 HA ARG 25 -3.403 11.548 -1.932 167 HB2 ARG 25 2HB ARG 25 -1.032 11.973 -1.801 168 HB3 ARG 25 1HB ARG 25 -0.789 10.539 -0.807 169 HG2 ARG 25 2HG ARG 25 -1.534 9.103 -2.658 170 HG3 ARG 25 1HG ARG 25 -1.833 10.527 -3.654 171 HD2 ARG 25 2HD ARG 25 0.548 11.128 -3.531 172 HD3 ARG 25 1HD ARG 25 0.858 9.726 -2.513 173 HE ARG 25 HE ARG 25 0.651 8.350 -4.405 174 HH11 ARG 25 1HH2 ARG 25 -0.206 11.639 -5.053 175 HH12 ARG 25 2HH2 ARG 25 -0.216 11.443 -6.773 176 HH21 ARG 25 1HH1 ARG 25 0.641 8.085 -6.663 177 HH22 ARG 25 2HH1 ARG 25 0.263 9.432 -7.685 178 H LEU 26 H LEU 26 -3.946 9.656 -3.034 179 HA LEU 26 HA LEU 26 -5.073 7.591 -1.375 180 HB2 LEU 26 2HB LEU 26 -4.960 8.115 -4.332 181 HB3 LEU 26 1HB LEU 26 -5.543 6.568 -3.716 182 HG LEU 26 HG LEU 26 -7.307 8.402 -4.107 183 HD11 LEU 26 1HD1 LEU 26 -8.388 6.878 -2.839 184 HD12 LEU 26 2HD1 LEU 26 -7.972 7.876 -1.445 185 HD13 LEU 26 3HD1 LEU 26 -6.932 6.528 -1.906 186 HD21 LEU 26 3HD2 LEU 26 -6.283 9.421 -1.451 187 HD22 LEU 26 1HD2 LEU 26 -7.480 10.159 -2.515 188 HD23 LEU 26 2HD2 LEU 26 -5.779 10.142 -2.981 189 H TYR 27 H TYR 27 -4.298 5.620 -0.934 190 HA TYR 27 HA TYR 27 -1.772 4.777 -2.219 191 HB2 TYR 27 2HB TYR 27 -2.585 4.798 0.635 192 HB3 TYR 27 1HB TYR 27 -1.568 3.489 0.043 193 HD1 TYR 27 2HD TYR 27 -1.807 7.200 -0.473 194 HD2 TYR 27 1HD TYR 27 0.709 3.809 0.302 195 HE1 TYR 27 2HE TYR 27 0.180 8.676 -0.410 196 HE2 TYR 27 1HE TYR 27 2.696 5.293 0.359 197 HH TYR 27 HH TYR 27 2.474 8.685 -0.525 198 H ARG 28 H ARG 28 -1.426 2.425 -2.237 199 HA ARG 28 HA ARG 28 -3.981 1.037 -2.744 200 HB2 ARG 28 2HB ARG 28 -1.150 0.306 -3.565 201 HB3 ARG 28 1HB ARG 28 -2.617 -0.550 -4.042 202 HG2 ARG 28 2HG ARG 28 -2.175 2.387 -4.617 203 HG3 ARG 28 1HG ARG 28 -1.721 1.114 -5.751 204 HD2 ARG 28 2HD ARG 28 -4.109 0.283 -5.619 205 HD3 ARG 28 1HD ARG 28 -4.491 1.736 -4.703 206 HE ARG 28 HE ARG 28 -3.240 2.055 -7.339 207 HH11 ARG 28 1HH2 ARG 28 -5.992 2.251 -5.245 208 HH12 ARG 28 2HH2 ARG 28 -6.900 3.271 -6.311 209 HH21 ARG 28 1HH1 ARG 28 -4.429 3.388 -8.740 210 HH22 ARG 28 2HH1 ARG 28 -6.016 3.913 -8.288 211 H LEU 29 H LEU 29 -4.631 -0.612 -1.498 212 HA LEU 29 HA LEU 29 -2.835 -1.470 0.675 213 HB2 LEU 29 2HB LEU 29 -4.974 -0.566 1.409 214 HB3 LEU 29 1HB LEU 29 -5.839 -1.701 0.373 215 HG LEU 29 HG LEU 29 -4.978 -3.600 1.650 216 HD11 LEU 29 1HD1 LEU 29 -2.835 -3.078 2.376 217 HD12 LEU 29 2HD1 LEU 29 -3.734 -2.806 3.868 218 HD13 LEU 29 3HD1 LEU 29 -3.276 -1.439 2.851 219 HD21 LEU 29 3HD2 LEU 29 -6.901 -1.929 2.503 220 HD22 LEU 29 1HD2 LEU 29 -5.765 -1.715 3.837 221 HD23 LEU 29 2HD2 LEU 29 -6.390 -3.320 3.459 222 H CYS 30 H CYS 30 -1.659 -3.168 -0.020 223 HA CYS 30 HA CYS 30 -3.098 -5.369 -1.355 224 HB2 CYS 30 2HB CYS 30 -0.847 -6.099 -2.121 225 HB3 CYS 30 1HB CYS 30 -1.336 -4.539 -2.756 226 H CYS 31 H CYS 31 -2.934 -7.497 -0.533 227 HA CYS 31 HA CYS 31 -1.612 -7.669 2.104 228 HB2 CYS 31 2HB CYS 31 -4.023 -9.209 1.160 229 HB3 CYS 31 1HB CYS 31 -3.350 -9.189 2.778 230 H ARG 32 H ARG 32 -0.288 -9.377 2.493 231 HA ARG 32 HA ARG 32 -0.189 -11.609 0.613 232 HB2 ARG 32 2HB ARG 32 2.160 -11.331 0.106 233 HB3 ARG 32 1HB ARG 32 1.296 -9.864 -0.355 234 HG2 ARG 32 2HG ARG 32 1.892 -9.047 2.050 235 HG3 ARG 32 1HG ARG 32 3.116 -10.318 1.994 236 HD2 ARG 32 2HD ARG 32 3.986 -9.373 -0.108 237 HD3 ARG 32 1HD ARG 32 2.779 -8.094 -0.026 238 HE ARG 32 HE ARG 32 3.925 -7.543 2.214 239 HH11 ARG 32 1HH2 ARG 32 5.508 -8.942 -0.537 240 HH12 ARG 32 2HH2 ARG 32 7.064 -8.303 -0.133 241 HH21 ARG 32 1HH1 ARG 32 5.968 -6.704 2.740 242 HH22 ARG 32 2HH1 ARG 32 7.325 -7.038 1.716 Start of MODEL 13 1 H1 ALA 1 1HT ALA 1 -1.620 -14.406 5.267 2 H2 ALA 1 2HT ALA 1 -3.077 -13.540 5.148 3 H3 ALA 1 3HT ALA 1 -2.002 -13.228 6.426 4 HA ALA 1 HA ALA 1 -0.426 -12.815 4.283 5 HB1 ALA 1 2HB ALA 1 -2.594 -11.130 3.400 6 HB2 ALA 1 3HB ALA 1 -3.090 -12.820 3.330 7 HB3 ALA 1 1HB ALA 1 -1.647 -12.288 2.468 8 H THR 2 H THR 2 -0.135 -10.334 3.961 9 HA THR 2 HA THR 2 -0.787 -8.960 6.496 10 HB THR 2 HB THR 2 1.759 -8.780 4.860 11 HG1 THR 2 1HG THR 2 1.044 -10.511 6.637 12 HG21 THR 2 3HG2 THR 2 0.549 -6.880 6.571 13 HG22 THR 2 1HG2 THR 2 2.188 -6.845 5.919 14 HG23 THR 2 2HG2 THR 2 1.878 -7.597 7.484 15 H CYS 3 H CYS 3 -2.250 -7.468 6.047 16 HA CYS 3 HA CYS 3 -2.335 -6.158 3.455 17 HB2 CYS 3 2HB CYS 3 -4.058 -5.873 5.930 18 HB3 CYS 3 1HB CYS 3 -4.335 -5.025 4.415 19 H TYR 4 H TYR 4 -1.676 -4.124 3.013 20 HA TYR 4 HA TYR 4 -1.256 -2.139 5.044 21 HB2 TYR 4 2HB TYR 4 1.174 -1.910 4.749 22 HB3 TYR 4 1HB TYR 4 0.765 -3.497 5.399 23 HD1 TYR 4 2HD TYR 4 1.746 -1.661 2.330 24 HD2 TYR 4 1HD TYR 4 1.152 -5.508 4.147 25 HE1 TYR 4 2HE TYR 4 2.867 -2.744 0.402 26 HE2 TYR 4 1HE TYR 4 2.273 -6.591 2.218 27 HH TYR 4 HH TYR 4 2.809 -6.164 -0.073 28 H CYS 5 H CYS 5 -0.729 -0.064 4.158 29 HA CYS 5 HA CYS 5 -1.524 0.173 1.362 30 HB2 CYS 5 2HB CYS 5 -0.860 2.474 3.172 31 HB3 CYS 5 1HB CYS 5 -1.970 2.409 1.829 32 H ARG 6 H ARG 6 -0.250 1.006 -0.254 33 HA ARG 6 HA ARG 6 2.521 1.750 0.418 34 HB2 ARG 6 2HB ARG 6 3.371 0.383 -1.425 35 HB3 ARG 6 1HB ARG 6 2.507 -0.628 -0.268 36 HG2 ARG 6 2HG ARG 6 0.824 -1.101 -1.725 37 HG3 ARG 6 1HG ARG 6 0.854 0.503 -2.453 38 HD2 ARG 6 2HD ARG 6 1.627 -1.362 -3.965 39 HD3 ARG 6 1HD ARG 6 2.771 -0.038 -3.783 40 HE ARG 6 HE ARG 6 3.088 -2.367 -2.024 41 HH11 ARG 6 1HH2 ARG 6 4.072 -0.511 -4.774 42 HH12 ARG 6 2HH2 ARG 6 5.638 -1.242 -4.880 43 HH21 ARG 6 1HH1 ARG 6 5.140 -3.330 -2.155 44 HH22 ARG 6 2HH1 ARG 6 6.244 -2.838 -3.398 45 H THR 7 H THR 7 3.575 3.031 -1.208 46 HA THR 7 HA THR 7 1.741 4.823 -2.551 47 HB THR 7 HB THR 7 4.758 4.753 -2.344 48 HG1 THR 7 1HG THR 7 4.400 5.928 -0.655 49 HG21 THR 7 3HG2 THR 7 4.565 5.940 -4.305 50 HG22 THR 7 1HG2 THR 7 4.243 7.249 -3.167 51 HG23 THR 7 2HG2 THR 7 2.903 6.427 -3.969 52 H GLY 8 H GLY 8 0.945 2.976 -3.941 53 HA2 GLY 8 2HA GLY 8 1.078 3.095 -6.492 54 HA3 GLY 8 1HA GLY 8 2.722 2.509 -6.255 55 H ARG 9 H ARG 9 1.528 0.861 -7.791 56 HA ARG 9 HA ARG 9 -0.244 -1.042 -6.665 57 HB2 ARG 9 2HB ARG 9 0.047 -0.714 -9.092 58 HB3 ARG 9 1HB ARG 9 1.676 -1.381 -8.969 59 HG2 ARG 9 2HG ARG 9 0.826 -3.504 -8.210 60 HG3 ARG 9 1HG ARG 9 -0.811 -2.858 -8.083 61 HD2 ARG 9 2HD ARG 9 -0.624 -4.125 -10.149 62 HD3 ARG 9 1HD ARG 9 -0.787 -2.414 -10.526 63 HE ARG 9 HE ARG 9 1.963 -3.188 -10.346 64 HH11 ARG 9 1HH2 ARG 9 -0.863 -3.281 -12.342 65 HH12 ARG 9 2HH2 ARG 9 0.020 -3.367 -13.828 66 HH21 ARG 9 1HH1 ARG 9 3.128 -3.301 -12.293 67 HH22 ARG 9 2HH1 ARG 9 2.281 -3.378 -13.800 68 H CYS 10 H CYS 10 0.229 -3.256 -6.128 69 HA CYS 10 HA CYS 10 2.850 -3.532 -4.799 70 HB2 CYS 10 2HB CYS 10 0.118 -4.615 -4.262 71 HB3 CYS 10 1HB CYS 10 1.519 -5.526 -3.714 72 H ALA 11 H ALA 11 3.018 -6.214 -4.481 73 HA ALA 11 HA ALA 11 3.817 -7.068 -7.128 74 HB1 ALA 11 1HB ALA 11 5.297 -8.257 -5.942 75 HB2 ALA 11 2HB ALA 11 3.986 -9.194 -5.225 76 HB3 ALA 11 3HB ALA 11 4.533 -7.708 -4.450 77 H THR 12 H THR 12 3.217 -9.191 -7.999 78 HA THR 12 HA THR 12 0.439 -9.468 -8.304 79 HB THR 12 HB THR 12 2.645 -11.475 -8.832 80 HG1 THR 12 1HG THR 12 1.354 -10.160 -10.874 81 HG21 THR 12 3HG2 THR 12 0.968 -12.462 -10.404 82 HG22 THR 12 1HG2 THR 12 -0.246 -11.375 -9.730 83 HG23 THR 12 2HG2 THR 12 0.499 -12.606 -8.711 84 H ARG 13 H ARG 13 2.741 -11.228 -6.267 85 HA ARG 13 HA ARG 13 1.005 -13.192 -5.275 86 HB2 ARG 13 2HB ARG 13 3.307 -11.826 -3.849 87 HB3 ARG 13 1HB ARG 13 2.579 -13.367 -3.398 88 HG2 ARG 13 2HG ARG 13 3.700 -12.924 -6.161 89 HG3 ARG 13 1HG ARG 13 4.730 -13.449 -4.829 90 HD2 ARG 13 2HD ARG 13 3.154 -15.356 -4.437 91 HD3 ARG 13 1HD ARG 13 2.260 -14.864 -5.870 92 HE ARG 13 HE ARG 13 4.986 -15.981 -5.835 93 HH11 ARG 13 1HH2 ARG 13 2.193 -14.823 -7.524 94 HH12 ARG 13 2HH2 ARG 13 2.674 -15.487 -9.049 95 HH21 ARG 13 1HH1 ARG 13 5.618 -16.850 -7.832 96 HH22 ARG 13 2HH1 ARG 13 4.612 -16.634 -9.225 97 H GLU 14 H GLU 14 1.394 -9.812 -4.444 98 HA GLU 14 HA GLU 14 -0.062 -9.919 -1.980 99 HB2 GLU 14 2HB GLU 14 0.061 -7.408 -3.581 100 HB3 GLU 14 1HB GLU 14 0.298 -7.662 -1.853 101 HG2 GLU 14 2HG GLU 14 2.390 -9.066 -2.740 102 HG3 GLU 14 1HG GLU 14 2.239 -7.934 -4.082 103 H SER 15 H SER 15 -2.133 -8.787 -1.631 104 HA SER 15 HA SER 15 -3.943 -9.013 -3.958 105 HB2 SER 15 2HB SER 15 -5.659 -9.777 -2.180 106 HB3 SER 15 1HB SER 15 -4.455 -10.908 -2.753 107 HG SER 15 HG SER 15 -4.845 -10.551 -0.348 108 H LEU 16 H LEU 16 -5.280 -7.358 -4.251 109 HA LEU 16 HA LEU 16 -5.035 -5.042 -2.533 110 HB2 LEU 16 2HB LEU 16 -5.827 -5.550 -5.240 111 HB3 LEU 16 1HB LEU 16 -7.112 -4.652 -4.431 112 HG LEU 16 HG LEU 16 -5.354 -3.189 -5.489 113 HD11 LEU 16 1HD1 LEU 16 -6.354 -3.126 -2.747 114 HD12 LEU 16 2HD1 LEU 16 -6.239 -1.819 -3.924 115 HD13 LEU 16 3HD1 LEU 16 -4.847 -2.227 -2.921 116 HD21 LEU 16 3HD2 LEU 16 -3.615 -5.021 -4.286 117 HD22 LEU 16 1HD2 LEU 16 -3.442 -3.559 -3.314 118 HD23 LEU 16 2HD2 LEU 16 -3.156 -3.502 -5.055 119 H SER 17 H SER 17 -6.303 -4.508 -0.895 120 HA SER 17 HA SER 17 -8.837 -5.983 -0.565 121 HB2 SER 17 2HB SER 17 -8.608 -5.664 1.775 122 HB3 SER 17 1HB SER 17 -7.001 -6.099 1.210 123 HG SER 17 HG SER 17 -8.013 -3.513 1.771 124 H GLY 18 H GLY 18 -7.461 -2.861 -1.060 125 HA2 GLY 18 2HA GLY 18 -9.802 -1.563 -1.758 126 HA3 GLY 18 1HA GLY 18 -9.611 -1.289 -0.029 127 H VAL 19 H VAL 19 -9.568 0.965 -1.277 128 HA VAL 19 HA VAL 19 -6.825 1.635 -2.113 129 HB VAL 19 HB VAL 19 -8.777 2.405 -3.480 130 HG11 VAL 19 1HG1 VAL 19 -10.493 3.630 -2.603 131 HG12 VAL 19 2HG1 VAL 19 -9.428 4.524 -1.517 132 HG13 VAL 19 3HG1 VAL 19 -9.976 2.906 -1.080 133 HG21 VAL 19 3HG2 VAL 19 -7.068 3.840 -3.966 134 HG22 VAL 19 1HG2 VAL 19 -6.712 4.145 -2.266 135 HG23 VAL 19 2HG2 VAL 19 -8.041 4.995 -3.056 136 H CYS 20 H CYS 20 -5.452 2.565 -0.757 137 HA CYS 20 HA CYS 20 -6.368 3.434 1.880 138 HB2 CYS 20 2HB CYS 20 -3.764 2.659 0.667 139 HB3 CYS 20 1HB CYS 20 -3.741 3.724 2.072 140 H GLU 21 H GLU 21 -5.142 5.394 2.787 141 HA GLU 21 HA GLU 21 -4.680 7.491 0.793 142 HB2 GLU 21 2HB GLU 21 -7.078 7.653 1.309 143 HB3 GLU 21 1HB GLU 21 -6.703 7.772 3.029 144 HG2 GLU 21 2HG GLU 21 -5.423 9.828 2.628 145 HG3 GLU 21 1HG GLU 21 -5.743 9.704 0.899 146 H ILE 22 H ILE 22 -2.700 8.170 1.327 147 HA ILE 22 HA ILE 22 -2.142 8.753 4.173 148 HB ILE 22 HB ILE 22 -0.233 7.460 2.206 149 HG12 ILE 22 2HG1 ILE 22 -1.304 6.280 4.778 150 HG13 ILE 22 1HG1 ILE 22 -2.155 6.061 3.249 151 HG21 ILE 22 1HG2 ILE 22 0.922 8.956 3.759 152 HG22 ILE 22 2HG2 ILE 22 1.224 7.285 4.233 153 HG23 ILE 22 3HG2 ILE 22 0.052 8.256 5.123 154 HD11 ILE 22 3HD1 ILE 22 -0.657 4.550 2.512 155 HD12 ILE 22 1HD1 ILE 22 -0.088 4.472 4.179 156 HD13 ILE 22 2HD1 ILE 22 0.714 5.539 3.023 157 H SER 23 H SER 23 -1.013 10.613 4.569 158 HA SER 23 HA SER 23 -0.176 12.716 4.183 159 HB2 SER 23 2HB SER 23 1.640 12.829 2.764 160 HB3 SER 23 1HB SER 23 1.495 11.081 2.926 161 HG SER 23 HG SER 23 -0.132 12.100 0.992 162 H GLY 24 H GLY 24 -2.843 11.856 3.078 163 HA2 GLY 24 2HA GLY 24 -4.562 13.070 2.090 164 HA3 GLY 24 1HA GLY 24 -3.380 14.280 1.598 165 H ARG 25 H ARG 25 -2.148 11.357 0.701 166 HA ARG 25 HA ARG 25 -3.165 11.666 -2.041 167 HB2 ARG 25 2HB ARG 25 -0.771 11.931 -1.909 168 HB3 ARG 25 1HB ARG 25 -0.621 10.430 -0.998 169 HG2 ARG 25 2HG ARG 25 -1.390 9.129 -2.894 170 HG3 ARG 25 1HG ARG 25 -1.742 10.597 -3.806 171 HD2 ARG 25 2HD ARG 25 0.397 9.679 -4.539 172 HD3 ARG 25 1HD ARG 25 0.663 11.208 -3.708 173 HE ARG 25 HE ARG 25 0.857 9.023 -1.887 174 HH11 ARG 25 1HH2 ARG 25 2.482 10.660 -4.463 175 HH12 ARG 25 2HH2 ARG 25 4.070 10.222 -3.924 176 HH21 ARG 25 1HH1 ARG 25 2.933 8.447 -1.173 177 HH22 ARG 25 2HH1 ARG 25 4.324 8.969 -2.062 178 H LEU 26 H LEU 26 -3.518 9.727 -3.307 179 HA LEU 26 HA LEU 26 -5.001 7.769 -1.792 180 HB2 LEU 26 2HB LEU 26 -5.754 8.623 -4.009 181 HB3 LEU 26 1HB LEU 26 -4.367 7.832 -4.756 182 HG LEU 26 HG LEU 26 -6.269 6.279 -3.011 183 HD11 LEU 26 1HD1 LEU 26 -7.829 7.059 -4.564 184 HD12 LEU 26 2HD1 LEU 26 -7.241 5.599 -5.359 185 HD13 LEU 26 3HD1 LEU 26 -6.633 7.177 -5.855 186 HD21 LEU 26 3HD2 LEU 26 -4.787 4.662 -3.531 187 HD22 LEU 26 1HD2 LEU 26 -3.940 5.727 -4.654 188 HD23 LEU 26 2HD2 LEU 26 -5.325 4.786 -5.204 189 H TYR 27 H TYR 27 -4.356 5.818 -1.159 190 HA TYR 27 HA TYR 27 -1.802 4.751 -2.197 191 HB2 TYR 27 2HB TYR 27 -2.805 5.022 0.582 192 HB3 TYR 27 1HB TYR 27 -1.861 3.600 0.156 193 HD1 TYR 27 1HD TYR 27 -1.781 7.295 -0.472 194 HD2 TYR 27 2HD TYR 27 0.437 3.726 0.416 195 HE1 TYR 27 1HE TYR 27 0.314 8.613 -0.354 196 HE2 TYR 27 2HE TYR 27 2.530 5.052 0.528 197 HH TYR 27 HH TYR 27 2.646 8.264 0.896 198 H ARG 28 H ARG 28 -1.613 2.431 -2.227 199 HA ARG 28 HA ARG 28 -4.239 1.128 -2.638 200 HB2 ARG 28 2HB ARG 28 -1.483 0.323 -3.630 201 HB3 ARG 28 1HB ARG 28 -3.000 -0.488 -4.016 202 HG2 ARG 28 2HG ARG 28 -2.707 2.453 -4.550 203 HG3 ARG 28 1HG ARG 28 -2.040 1.284 -5.693 204 HD2 ARG 28 2HD ARG 28 -4.908 1.239 -4.717 205 HD3 ARG 28 1HD ARG 28 -4.397 2.005 -6.217 206 HE ARG 28 HE ARG 28 -3.449 -0.657 -6.177 207 HH11 ARG 28 1HH2 ARG 28 -6.370 1.185 -6.370 208 HH12 ARG 28 2HH2 ARG 28 -7.223 -0.003 -7.298 209 HH21 ARG 28 1HH1 ARG 28 -4.560 -2.222 -7.393 210 HH22 ARG 28 2HH1 ARG 28 -6.197 -1.932 -7.877 211 H LEU 29 H LEU 29 -4.826 -0.593 -1.432 212 HA LEU 29 HA LEU 29 -2.975 -1.440 0.688 213 HB2 LEU 29 2HB LEU 29 -5.134 -0.600 1.460 214 HB3 LEU 29 1HB LEU 29 -5.977 -1.758 0.434 215 HG LEU 29 HG LEU 29 -5.039 -3.631 1.688 216 HD11 LEU 29 1HD1 LEU 29 -3.795 -2.777 3.902 217 HD12 LEU 29 2HD1 LEU 29 -3.365 -1.430 2.846 218 HD13 LEU 29 3HD1 LEU 29 -2.911 -3.077 2.408 219 HD21 LEU 29 3HD2 LEU 29 -5.885 -1.708 3.843 220 HD22 LEU 29 1HD2 LEU 29 -6.365 -3.387 3.592 221 HD23 LEU 29 2HD2 LEU 29 -7.028 -2.117 2.565 222 H CYS 30 H CYS 30 -1.764 -3.095 -0.038 223 HA CYS 30 HA CYS 30 -3.150 -5.309 -1.396 224 HB2 CYS 30 2HB CYS 30 -0.945 -5.985 -2.222 225 HB3 CYS 30 1HB CYS 30 -1.341 -4.352 -2.712 226 H CYS 31 H CYS 31 -2.887 -7.463 -0.634 227 HA CYS 31 HA CYS 31 -1.621 -7.649 2.024 228 HB2 CYS 31 2HB CYS 31 -4.009 -9.197 1.038 229 HB3 CYS 31 1HB CYS 31 -3.340 -9.209 2.655 230 H ARG 32 H ARG 32 -0.279 -9.352 2.394 231 HA ARG 32 HA ARG 32 -0.118 -11.519 0.433 232 HB2 ARG 32 2HB ARG 32 2.287 -11.226 0.118 233 HB3 ARG 32 1HB ARG 32 1.416 -9.785 -0.409 234 HG2 ARG 32 2HG ARG 32 1.816 -8.954 2.035 235 HG3 ARG 32 1HG ARG 32 3.082 -10.183 2.058 236 HD2 ARG 32 2HD ARG 32 4.039 -9.188 -0.011 237 HD3 ARG 32 1HD ARG 32 2.812 -7.923 0.064 238 HE ARG 32 HE ARG 32 4.191 -8.013 2.533 239 HH11 ARG 32 1HH2 ARG 32 4.649 -7.206 -0.801 240 HH12 ARG 32 2HH2 ARG 32 5.863 -6.013 -0.488 241 HH21 ARG 32 1HH1 ARG 32 5.783 -6.448 2.950 242 HH22 ARG 32 2HH1 ARG 32 6.506 -5.583 1.635 Start of MODEL 14 1 H1 ALA 1 1HT ALA 1 -2.023 -13.415 6.219 2 H2 ALA 1 2HT ALA 1 -2.469 -14.167 4.762 3 H3 ALA 1 3HT ALA 1 -3.366 -12.850 5.350 4 HA ALA 1 HA ALA 1 -0.576 -12.792 4.343 5 HB1 ALA 1 2HB ALA 1 -3.248 -11.875 3.304 6 HB2 ALA 1 3HB ALA 1 -1.987 -12.783 2.467 7 HB3 ALA 1 1HB ALA 1 -1.767 -11.063 2.792 8 H THR 2 H THR 2 -0.079 -10.318 3.956 9 HA THR 2 HA THR 2 -0.759 -8.885 6.450 10 HB THR 2 HB THR 2 1.798 -8.849 4.823 11 HG1 THR 2 1HG THR 2 1.007 -9.868 7.325 12 HG21 THR 2 3HG2 THR 2 1.779 -6.673 5.559 13 HG22 THR 2 1HG2 THR 2 2.403 -7.441 7.021 14 HG23 THR 2 2HG2 THR 2 0.692 -7.027 6.902 15 H CYS 3 H CYS 3 -2.183 -7.353 5.994 16 HA CYS 3 HA CYS 3 -2.233 -6.058 3.396 17 HB2 CYS 3 2HB CYS 3 -3.963 -5.672 5.855 18 HB3 CYS 3 1HB CYS 3 -4.231 -4.911 4.294 19 H TYR 4 H TYR 4 -1.551 -4.034 2.941 20 HA TYR 4 HA TYR 4 -1.069 -2.064 4.985 21 HB2 TYR 4 2HB TYR 4 1.349 -1.854 4.614 22 HB3 TYR 4 1HB TYR 4 0.948 -3.450 5.253 23 HD1 TYR 4 1HD TYR 4 2.043 -1.560 2.288 24 HD2 TYR 4 2HD TYR 4 1.072 -5.445 3.846 25 HE1 TYR 4 1HE TYR 4 3.091 -2.620 0.303 26 HE2 TYR 4 2HE TYR 4 2.119 -6.503 1.863 27 HH TYR 4 HH TYR 4 3.742 -4.541 -0.624 28 H CYS 5 H CYS 5 -0.436 0.004 4.093 29 HA CYS 5 HA CYS 5 -1.379 0.308 1.340 30 HB2 CYS 5 2HB CYS 5 -0.580 2.560 3.160 31 HB3 CYS 5 1HB CYS 5 -1.733 2.554 1.870 32 H ARG 6 H ARG 6 -0.155 1.119 -0.319 33 HA ARG 6 HA ARG 6 2.655 1.806 0.240 34 HB2 ARG 6 2HB ARG 6 3.429 0.416 -1.603 35 HB3 ARG 6 1HB ARG 6 2.539 -0.585 -0.452 36 HG2 ARG 6 2HG ARG 6 0.730 -0.856 -1.862 37 HG3 ARG 6 1HG ARG 6 1.021 0.653 -2.715 38 HD2 ARG 6 2HD ARG 6 2.960 -1.637 -2.903 39 HD3 ARG 6 1HD ARG 6 1.560 -1.528 -3.968 40 HE ARG 6 HE ARG 6 2.558 0.820 -4.468 41 HH11 ARG 6 1HH2 ARG 6 4.305 -2.079 -3.741 42 HH12 ARG 6 2HH2 ARG 6 5.707 -1.624 -4.647 43 HH21 ARG 6 1HH1 ARG 6 4.394 1.421 -5.662 44 HH22 ARG 6 2HH1 ARG 6 5.758 0.356 -5.736 45 H THR 7 H THR 7 3.671 3.038 -1.466 46 HA THR 7 HA THR 7 1.805 4.864 -2.733 47 HB THR 7 HB THR 7 4.832 4.796 -2.778 48 HG1 THR 7 1HG THR 7 3.930 6.797 -1.391 49 HG21 THR 7 3HG2 THR 7 2.793 6.491 -4.062 50 HG22 THR 7 1HG2 THR 7 4.495 6.272 -4.468 51 HG23 THR 7 2HG2 THR 7 4.032 7.385 -3.182 52 H GLY 8 H GLY 8 1.050 2.831 -4.012 53 HA2 GLY 8 2HA GLY 8 1.096 2.998 -6.610 54 HA3 GLY 8 1HA GLY 8 2.729 2.372 -6.385 55 H ARG 9 H ARG 9 1.691 0.658 -7.813 56 HA ARG 9 HA ARG 9 -0.175 -1.161 -6.617 57 HB2 ARG 9 2HB ARG 9 1.380 -1.031 -9.138 58 HB3 ARG 9 1HB ARG 9 0.864 -2.630 -8.598 59 HG2 ARG 9 2HG ARG 9 -1.469 -1.598 -8.293 60 HG3 ARG 9 1HG ARG 9 -0.859 -0.220 -9.213 61 HD2 ARG 9 2HD ARG 9 -0.281 -1.714 -11.079 62 HD3 ARG 9 1HD ARG 9 -0.855 -3.096 -10.146 63 HE ARG 9 HE ARG 9 -2.833 -1.006 -10.509 64 HH11 ARG 9 1HH2 ARG 9 -1.365 -3.873 -11.775 65 HH12 ARG 9 2HH2 ARG 9 -2.734 -4.315 -12.740 66 HH21 ARG 9 1HH1 ARG 9 -4.633 -1.578 -11.771 67 HH22 ARG 9 2HH1 ARG 9 -4.585 -3.016 -12.736 68 H CYS 10 H CYS 10 0.281 -3.410 -6.143 69 HA CYS 10 HA CYS 10 2.927 -3.705 -4.853 70 HB2 CYS 10 2HB CYS 10 0.197 -4.756 -4.250 71 HB3 CYS 10 1HB CYS 10 1.588 -5.707 -3.759 72 H ALA 11 H ALA 11 2.932 -6.459 -4.533 73 HA ALA 11 HA ALA 11 3.689 -7.293 -7.222 74 HB1 ALA 11 1HB ALA 11 3.884 -9.268 -5.056 75 HB2 ALA 11 2HB ALA 11 4.765 -7.771 -4.744 76 HB3 ALA 11 3HB ALA 11 5.114 -8.714 -6.194 77 H THR 12 H THR 12 3.080 -9.478 -7.986 78 HA THR 12 HA THR 12 0.295 -9.768 -8.188 79 HB THR 12 HB THR 12 2.591 -11.619 -8.804 80 HG1 THR 12 1HG THR 12 2.489 -10.408 -10.500 81 HG21 THR 12 3HG2 THR 12 0.502 -12.719 -10.134 82 HG22 THR 12 1HG2 THR 12 -0.313 -12.187 -8.663 83 HG23 THR 12 2HG2 THR 12 1.059 -13.291 -8.560 84 H ARG 13 H ARG 13 2.662 -11.434 -6.146 85 HA ARG 13 HA ARG 13 0.981 -13.369 -5.028 86 HB2 ARG 13 2HB ARG 13 3.311 -11.908 -3.755 87 HB3 ARG 13 1HB ARG 13 2.587 -13.396 -3.146 88 HG2 ARG 13 2HG ARG 13 3.526 -13.274 -5.995 89 HG3 ARG 13 1HG ARG 13 4.700 -13.530 -4.705 90 HD2 ARG 13 2HD ARG 13 2.188 -15.190 -4.948 91 HD3 ARG 13 1HD ARG 13 3.689 -15.636 -5.752 92 HE ARG 13 HE ARG 13 3.990 -15.114 -2.920 93 HH11 ARG 13 1HH2 ARG 13 3.207 -17.416 -5.381 94 HH12 ARG 13 2HH2 ARG 13 3.627 -18.794 -4.421 95 HH21 ARG 13 1HH1 ARG 13 4.543 -16.916 -1.654 96 HH22 ARG 13 2HH1 ARG 13 4.384 -18.511 -2.309 97 H GLU 14 H GLU 14 1.315 -9.951 -4.356 98 HA GLU 14 HA GLU 14 -0.125 -9.998 -1.869 99 HB2 GLU 14 2HB GLU 14 0.013 -7.529 -3.532 100 HB3 GLU 14 1HB GLU 14 0.250 -7.739 -1.795 101 HG2 GLU 14 2HG GLU 14 2.332 -9.186 -2.673 102 HG3 GLU 14 1HG GLU 14 2.194 -8.049 -4.012 103 H SER 15 H SER 15 -2.167 -8.691 -1.618 104 HA SER 15 HA SER 15 -3.965 -8.994 -3.940 105 HB2 SER 15 2HB SER 15 -5.708 -9.667 -2.110 106 HB3 SER 15 1HB SER 15 -4.592 -10.851 -2.738 107 HG SER 15 HG SER 15 -3.259 -9.840 -0.845 108 H LEU 16 H LEU 16 -5.203 -7.275 -4.298 109 HA LEU 16 HA LEU 16 -4.947 -4.952 -2.600 110 HB2 LEU 16 2HB LEU 16 -5.610 -5.438 -5.309 111 HB3 LEU 16 1HB LEU 16 -6.999 -4.631 -4.582 112 HG LEU 16 HG LEU 16 -5.346 -3.007 -5.478 113 HD11 LEU 16 1HD1 LEU 16 -6.366 -1.836 -3.820 114 HD12 LEU 16 2HD1 LEU 16 -4.869 -2.090 -2.924 115 HD13 LEU 16 3HD1 LEU 16 -6.238 -3.173 -2.678 116 HD21 LEU 16 3HD2 LEU 16 -3.492 -4.801 -4.401 117 HD22 LEU 16 1HD2 LEU 16 -3.393 -3.392 -3.342 118 HD23 LEU 16 2HD2 LEU 16 -3.130 -3.213 -5.077 119 H SER 17 H SER 17 -6.274 -4.328 -1.020 120 HA SER 17 HA SER 17 -8.840 -5.764 -0.724 121 HB2 SER 17 2HB SER 17 -8.668 -5.364 1.639 122 HB3 SER 17 1HB SER 17 -7.112 -5.984 1.101 123 HG SER 17 HG SER 17 -7.266 -3.293 0.862 124 H GLY 18 H GLY 18 -7.358 -2.662 -1.128 125 HA2 GLY 18 2HA GLY 18 -9.646 -1.313 -1.917 126 HA3 GLY 18 1HA GLY 18 -9.512 -1.050 -0.181 127 H VAL 19 H VAL 19 -9.374 1.207 -1.412 128 HA VAL 19 HA VAL 19 -6.586 1.817 -2.142 129 HB VAL 19 HB VAL 19 -8.402 2.661 -3.602 130 HG11 VAL 19 1HG1 VAL 19 -10.067 4.154 -2.839 131 HG12 VAL 19 2HG1 VAL 19 -9.204 4.482 -1.337 132 HG13 VAL 19 3HG1 VAL 19 -9.994 2.924 -1.577 133 HG21 VAL 19 3HG2 VAL 19 -6.688 4.593 -2.055 134 HG22 VAL 19 1HG2 VAL 19 -7.751 5.166 -3.337 135 HG23 VAL 19 2HG2 VAL 19 -6.477 4.007 -3.700 136 H CYS 20 H CYS 20 -5.262 2.448 -0.576 137 HA CYS 20 HA CYS 20 -6.211 3.306 2.000 138 HB2 CYS 20 2HB CYS 20 -3.572 2.766 0.752 139 HB3 CYS 20 1HB CYS 20 -3.613 3.775 2.200 140 H GLU 21 H GLU 21 -5.063 5.294 3.001 141 HA GLU 21 HA GLU 21 -4.871 7.522 1.088 142 HB2 GLU 21 2HB GLU 21 -6.731 7.451 3.478 143 HB3 GLU 21 1HB GLU 21 -6.330 8.908 2.566 144 HG2 GLU 21 2HG GLU 21 -7.232 7.923 0.520 145 HG3 GLU 21 1HG GLU 21 -7.561 6.413 1.368 146 H ILE 22 H ILE 22 -2.842 8.197 1.466 147 HA ILE 22 HA ILE 22 -2.061 8.693 4.279 148 HB ILE 22 HB ILE 22 -0.323 7.605 2.048 149 HG12 ILE 22 2HG1 ILE 22 -0.984 6.325 4.708 150 HG13 ILE 22 1HG1 ILE 22 -1.982 6.056 3.279 151 HG21 ILE 22 1HG2 ILE 22 0.248 8.761 4.749 152 HG22 ILE 22 2HG2 ILE 22 1.192 8.868 3.263 153 HG23 ILE 22 3HG2 ILE 22 1.213 7.383 4.216 154 HD11 ILE 22 3HD1 ILE 22 0.344 4.661 3.962 155 HD12 ILE 22 1HD1 ILE 22 0.844 5.748 2.665 156 HD13 ILE 22 2HD1 ILE 22 -0.489 4.618 2.406 157 H SER 23 H SER 23 -1.198 10.651 4.692 158 HA SER 23 HA SER 23 -0.628 12.852 4.362 159 HB2 SER 23 2HB SER 23 0.796 13.102 2.118 160 HB3 SER 23 1HB SER 23 1.460 12.345 3.562 161 HG SER 23 HG SER 23 1.630 10.596 2.433 162 H GLY 24 H GLY 24 -3.149 11.778 3.179 163 HA2 GLY 24 2HA GLY 24 -4.930 12.891 2.163 164 HA3 GLY 24 1HA GLY 24 -3.808 14.126 1.602 165 H ARG 25 H ARG 25 -2.167 11.587 0.702 166 HA ARG 25 HA ARG 25 -3.284 11.568 -1.994 167 HB2 ARG 25 2HB ARG 25 -0.892 11.958 -1.787 168 HB3 ARG 25 1HB ARG 25 -0.710 10.451 -0.903 169 HG2 ARG 25 2HG ARG 25 -1.589 9.217 -2.885 170 HG3 ARG 25 1HG ARG 25 -1.649 10.742 -3.768 171 HD2 ARG 25 2HD ARG 25 0.852 9.558 -2.537 172 HD3 ARG 25 1HD ARG 25 0.425 9.451 -4.242 173 HE ARG 25 HE ARG 25 1.528 11.742 -2.900 174 HH11 ARG 25 1HH2 ARG 25 -0.531 10.649 -5.457 175 HH12 ARG 25 2HH2 ARG 25 -0.303 12.062 -6.431 176 HH21 ARG 25 1HH1 ARG 25 1.832 13.598 -4.172 177 HH22 ARG 25 2HH1 ARG 25 1.035 13.733 -5.704 178 H LEU 26 H LEU 26 -3.897 9.702 -3.094 179 HA LEU 26 HA LEU 26 -5.066 7.661 -1.452 180 HB2 LEU 26 2HB LEU 26 -4.854 8.094 -4.433 181 HB3 LEU 26 1HB LEU 26 -5.578 6.635 -3.756 182 HG LEU 26 HG LEU 26 -6.458 9.393 -2.891 183 HD11 LEU 26 1HD1 LEU 26 -8.150 9.397 -4.561 184 HD12 LEU 26 2HD1 LEU 26 -7.843 7.713 -4.990 185 HD13 LEU 26 3HD1 LEU 26 -6.674 8.961 -5.421 186 HD21 LEU 26 3HD2 LEU 26 -8.407 7.223 -2.963 187 HD22 LEU 26 1HD2 LEU 26 -7.931 8.248 -1.611 188 HD23 LEU 26 2HD2 LEU 26 -7.005 6.795 -1.987 189 H TYR 27 H TYR 27 -4.336 5.679 -0.973 190 HA TYR 27 HA TYR 27 -1.810 4.785 -2.225 191 HB2 TYR 27 2HB TYR 27 -2.637 4.887 0.614 192 HB3 TYR 27 1HB TYR 27 -1.665 3.522 0.068 193 HD1 TYR 27 2HD TYR 27 -1.760 7.218 -0.539 194 HD2 TYR 27 1HD TYR 27 0.622 3.755 0.344 195 HE1 TYR 27 2HE TYR 27 0.280 8.623 -0.490 196 HE2 TYR 27 1HE TYR 27 2.657 5.165 0.389 197 HH TYR 27 HH TYR 27 3.462 7.259 -0.385 198 H ARG 28 H ARG 28 -1.504 2.450 -2.292 199 HA ARG 28 HA ARG 28 -4.076 1.073 -2.742 200 HB2 ARG 28 2HB ARG 28 -1.265 0.313 -3.609 201 HB3 ARG 28 1HB ARG 28 -2.751 -0.524 -4.058 202 HG2 ARG 28 2HG ARG 28 -2.394 2.417 -4.612 203 HG3 ARG 28 1HG ARG 28 -1.801 1.197 -5.741 204 HD2 ARG 28 2HD ARG 28 -4.094 0.209 -5.801 205 HD3 ARG 28 1HD ARG 28 -4.657 1.527 -4.783 206 HE ARG 28 HE ARG 28 -3.774 1.760 -7.579 207 HH11 ARG 28 1HH2 ARG 28 -5.042 3.139 -4.669 208 HH12 ARG 28 2HH2 ARG 28 -5.598 4.587 -5.435 209 HH21 ARG 28 1HH1 ARG 28 -4.501 3.659 -8.590 210 HH22 ARG 28 2HH1 ARG 28 -5.292 4.883 -7.653 211 H LEU 29 H LEU 29 -4.711 -0.575 -1.486 212 HA LEU 29 HA LEU 29 -2.902 -1.432 0.668 213 HB2 LEU 29 2HB LEU 29 -5.051 -0.536 1.406 214 HB3 LEU 29 1HB LEU 29 -5.907 -1.691 0.381 215 HG LEU 29 HG LEU 29 -4.994 -3.570 1.658 216 HD11 LEU 29 1HD1 LEU 29 -3.798 -2.708 3.894 217 HD12 LEU 29 2HD1 LEU 29 -3.339 -1.369 2.841 218 HD13 LEU 29 3HD1 LEU 29 -2.880 -3.020 2.420 219 HD21 LEU 29 3HD2 LEU 29 -6.983 -1.993 2.485 220 HD22 LEU 29 1HD2 LEU 29 -5.868 -1.671 3.812 221 HD23 LEU 29 2HD2 LEU 29 -6.399 -3.321 3.488 222 H CYS 30 H CYS 30 -1.703 -3.097 -0.101 223 HA CYS 30 HA CYS 30 -3.123 -5.313 -1.418 224 HB2 CYS 30 2HB CYS 30 -0.931 -6.018 -2.246 225 HB3 CYS 30 1HB CYS 30 -1.293 -4.378 -2.737 226 H CYS 31 H CYS 31 -2.894 -7.448 -0.647 227 HA CYS 31 HA CYS 31 -1.623 -7.659 2.015 228 HB2 CYS 31 2HB CYS 31 -4.041 -9.169 1.050 229 HB3 CYS 31 1HB CYS 31 -3.364 -9.186 2.657 230 H ARG 32 H ARG 32 -0.178 -9.256 2.285 231 HA ARG 32 HA ARG 32 -0.093 -11.453 0.328 232 HB2 ARG 32 2HB ARG 32 2.333 -11.202 0.088 233 HB3 ARG 32 1HB ARG 32 1.498 -9.743 -0.449 234 HG2 ARG 32 2HG ARG 32 1.839 -9.013 2.074 235 HG3 ARG 32 1HG ARG 32 3.159 -10.183 2.004 236 HD2 ARG 32 2HD ARG 32 4.006 -9.022 -0.045 237 HD3 ARG 32 1HD ARG 32 2.751 -7.808 0.179 238 HE ARG 32 HE ARG 32 4.197 -8.011 2.579 239 HH11 ARG 32 1HH2 ARG 32 4.610 -7.057 -0.722 240 HH12 ARG 32 2HH2 ARG 32 5.835 -5.882 -0.373 241 HH21 ARG 32 1HH1 ARG 32 5.802 -6.473 3.045 242 HH22 ARG 32 2HH1 ARG 32 6.509 -5.553 1.759 Start of MODEL 15 1 H1 ALA 1 1HT ALA 1 -2.219 -13.128 6.649 2 H2 ALA 1 2HT ALA 1 -2.071 -14.323 5.450 3 H3 ALA 1 3HT ALA 1 -3.419 -13.288 5.460 4 HA ALA 1 HA ALA 1 -0.720 -12.824 4.488 5 HB1 ALA 1 2HB ALA 1 -2.726 -13.031 3.025 6 HB2 ALA 1 3HB ALA 1 -1.942 -11.459 2.867 7 HB3 ALA 1 1HB ALA 1 -3.420 -11.616 3.816 8 H THR 2 H THR 2 -0.255 -10.401 4.086 9 HA THR 2 HA THR 2 -0.850 -8.875 6.543 10 HB THR 2 HB THR 2 1.715 -9.075 4.953 11 HG1 THR 2 1HG THR 2 2.078 -10.425 6.500 12 HG21 THR 2 3HG2 THR 2 2.263 -7.416 7.058 13 HG22 THR 2 1HG2 THR 2 0.639 -6.892 6.614 14 HG23 THR 2 2HG2 THR 2 1.933 -6.863 5.416 15 H CYS 3 H CYS 3 -2.215 -7.312 6.028 16 HA CYS 3 HA CYS 3 -2.199 -6.105 3.383 17 HB2 CYS 3 2HB CYS 3 -3.962 -5.613 5.797 18 HB3 CYS 3 1HB CYS 3 -4.179 -4.879 4.215 19 H TYR 4 H TYR 4 -1.446 -4.116 2.886 20 HA TYR 4 HA TYR 4 -0.937 -2.121 4.911 21 HB2 TYR 4 2HB TYR 4 1.473 -1.955 4.534 22 HB3 TYR 4 1HB TYR 4 1.062 -3.560 5.141 23 HD1 TYR 4 1HD TYR 4 1.990 -1.618 2.127 24 HD2 TYR 4 2HD TYR 4 1.314 -5.528 3.773 25 HE1 TYR 4 1HE TYR 4 3.012 -2.644 0.112 26 HE2 TYR 4 2HE TYR 4 2.335 -6.553 1.758 27 HH TYR 4 HH TYR 4 4.257 -5.092 -0.272 28 H CYS 5 H CYS 5 -0.494 -0.056 4.021 29 HA CYS 5 HA CYS 5 -1.339 0.197 1.236 30 HB2 CYS 5 2HB CYS 5 -0.671 2.508 3.025 31 HB3 CYS 5 1HB CYS 5 -1.839 2.403 1.749 32 H ARG 6 H ARG 6 -0.103 1.084 -0.384 33 HA ARG 6 HA ARG 6 2.653 1.894 0.255 34 HB2 ARG 6 2HB ARG 6 3.552 0.525 -1.553 35 HB3 ARG 6 1HB ARG 6 2.694 -0.505 -0.403 36 HG2 ARG 6 2HG ARG 6 0.912 -0.875 -1.839 37 HG3 ARG 6 1HG ARG 6 1.196 0.607 -2.747 38 HD2 ARG 6 2HD ARG 6 1.835 -1.541 -3.935 39 HD3 ARG 6 1HD ARG 6 3.085 -0.310 -3.864 40 HE ARG 6 HE ARG 6 3.073 -2.402 -1.796 41 HH11 ARG 6 1HH2 ARG 6 4.436 -0.945 -4.623 42 HH12 ARG 6 2HH2 ARG 6 5.947 -1.778 -4.492 43 HH21 ARG 6 1HH1 ARG 6 5.052 -3.500 -1.619 44 HH22 ARG 6 2HH1 ARG 6 6.296 -3.226 -2.791 45 H THR 7 H THR 7 3.616 3.262 -1.315 46 HA THR 7 HA THR 7 1.712 4.925 -2.713 47 HB THR 7 HB THR 7 3.548 6.028 -1.621 48 HG1 THR 7 1HG THR 7 4.075 5.963 -4.405 49 HG21 THR 7 3HG2 THR 7 5.839 5.332 -3.052 50 HG22 THR 7 1HG2 THR 7 5.038 3.792 -2.744 51 HG23 THR 7 2HG2 THR 7 5.458 4.853 -1.399 52 H GLY 8 H GLY 8 1.167 2.807 -3.992 53 HA2 GLY 8 2HA GLY 8 1.370 3.038 -6.614 54 HA3 GLY 8 1HA GLY 8 2.968 2.388 -6.264 55 H ARG 9 H ARG 9 1.975 0.704 -7.782 56 HA ARG 9 HA ARG 9 0.018 -1.094 -6.707 57 HB2 ARG 9 2HB ARG 9 1.731 -0.977 -9.126 58 HB3 ARG 9 1HB ARG 9 1.170 -2.572 -8.623 59 HG2 ARG 9 2HG ARG 9 -1.171 -1.487 -8.448 60 HG3 ARG 9 1HG ARG 9 -0.477 -0.160 -9.383 61 HD2 ARG 9 2HD ARG 9 -0.395 -3.059 -10.229 62 HD3 ARG 9 1HD ARG 9 -1.607 -1.908 -10.784 63 HE ARG 9 HE ARG 9 0.586 -0.609 -11.498 64 HH11 ARG 9 1HH2 ARG 9 -0.146 -3.988 -11.663 65 HH12 ARG 9 2HH2 ARG 9 0.853 -4.277 -13.049 66 HH21 ARG 9 1HH1 ARG 9 1.896 -0.981 -13.315 67 HH22 ARG 9 2HH1 ARG 9 2.009 -2.575 -13.983 68 H CYS 10 H CYS 10 0.415 -3.354 -6.215 69 HA CYS 10 HA CYS 10 2.976 -3.691 -4.777 70 HB2 CYS 10 2HB CYS 10 0.197 -4.666 -4.304 71 HB3 CYS 10 1HB CYS 10 1.537 -5.661 -3.746 72 H ALA 11 H ALA 11 3.002 -6.403 -4.447 73 HA ALA 11 HA ALA 11 3.878 -7.280 -7.067 74 HB1 ALA 11 1HB ALA 11 4.640 -7.846 -4.451 75 HB2 ALA 11 2HB ALA 11 5.207 -8.673 -5.902 76 HB3 ALA 11 3HB ALA 11 3.846 -9.325 -4.991 77 H THR 12 H THR 12 3.237 -9.406 -7.930 78 HA THR 12 HA THR 12 0.457 -9.604 -8.306 79 HB THR 12 HB THR 12 2.460 -11.832 -8.711 80 HG1 THR 12 1HG THR 12 2.582 -10.857 -10.844 81 HG21 THR 12 3HG2 THR 12 0.087 -12.431 -8.971 82 HG22 THR 12 1HG2 THR 12 0.921 -12.463 -10.526 83 HG23 THR 12 2HG2 THR 12 -0.124 -11.103 -10.114 84 H ARG 13 H ARG 13 2.663 -11.438 -6.228 85 HA ARG 13 HA ARG 13 0.843 -13.332 -5.259 86 HB2 ARG 13 2HB ARG 13 3.180 -12.061 -3.805 87 HB3 ARG 13 1HB ARG 13 2.380 -13.566 -3.354 88 HG2 ARG 13 2HG ARG 13 3.594 -13.160 -6.088 89 HG3 ARG 13 1HG ARG 13 4.529 -13.796 -4.735 90 HD2 ARG 13 2HD ARG 13 2.782 -15.578 -4.453 91 HD3 ARG 13 1HD ARG 13 2.011 -14.994 -5.922 92 HE ARG 13 HE ARG 13 4.607 -16.355 -5.760 93 HH11 ARG 13 1HH2 ARG 13 2.097 -14.823 -7.584 94 HH12 ARG 13 2HH2 ARG 13 2.623 -15.461 -9.105 95 HH21 ARG 13 1HH1 ARG 13 5.304 -17.195 -7.750 96 HH22 ARG 13 2HH1 ARG 13 4.439 -16.803 -9.199 97 H GLU 14 H GLU 14 1.306 -9.972 -4.444 98 HA GLU 14 HA GLU 14 -0.166 -10.025 -1.992 99 HB2 GLU 14 2HB GLU 14 0.012 -7.537 -3.622 100 HB3 GLU 14 1HB GLU 14 0.234 -7.773 -1.887 101 HG2 GLU 14 2HG GLU 14 2.300 -9.241 -2.791 102 HG3 GLU 14 1HG GLU 14 2.187 -8.062 -4.090 103 H SER 15 H SER 15 -2.196 -8.715 -1.715 104 HA SER 15 HA SER 15 -3.994 -8.958 -4.044 105 HB2 SER 15 2HB SER 15 -5.761 -9.682 -2.318 106 HB3 SER 15 1HB SER 15 -4.560 -10.845 -2.817 107 HG SER 15 HG SER 15 -3.951 -9.229 -0.654 108 H LEU 16 H LEU 16 -5.305 -7.264 -4.340 109 HA LEU 16 HA LEU 16 -4.969 -4.939 -2.650 110 HB2 LEU 16 2HB LEU 16 -5.606 -5.360 -5.335 111 HB3 LEU 16 1HB LEU 16 -7.088 -4.717 -4.627 112 HG LEU 16 HG LEU 16 -5.650 -2.884 -5.407 113 HD11 LEU 16 1HD1 LEU 16 -6.508 -1.752 -3.661 114 HD12 LEU 16 2HD1 LEU 16 -5.145 -2.279 -2.672 115 HD13 LEU 16 3HD1 LEU 16 -6.620 -3.242 -2.726 116 HD21 LEU 16 3HD2 LEU 16 -3.589 -3.252 -3.350 117 HD22 LEU 16 1HD2 LEU 16 -3.408 -2.834 -5.055 118 HD23 LEU 16 2HD2 LEU 16 -3.576 -4.523 -4.573 119 H SER 17 H SER 17 -6.205 -4.377 -0.988 120 HA SER 17 HA SER 17 -8.767 -5.785 -0.608 121 HB2 SER 17 2HB SER 17 -8.524 -5.340 1.738 122 HB3 SER 17 1HB SER 17 -6.976 -5.949 1.164 123 HG SER 17 HG SER 17 -7.546 -3.190 1.198 124 H GLY 18 H GLY 18 -7.329 -2.672 -1.106 125 HA2 GLY 18 2HA GLY 18 -9.621 -1.349 -1.883 126 HA3 GLY 18 1HA GLY 18 -9.510 -1.090 -0.144 127 H VAL 19 H VAL 19 -9.393 1.173 -1.368 128 HA VAL 19 HA VAL 19 -6.606 1.830 -2.062 129 HB VAL 19 HB VAL 19 -8.478 2.633 -3.516 130 HG11 VAL 19 1HG1 VAL 19 -9.162 4.507 -1.247 131 HG12 VAL 19 2HG1 VAL 19 -10.018 2.983 -1.479 132 HG13 VAL 19 3HG1 VAL 19 -10.063 4.220 -2.735 133 HG21 VAL 19 3HG2 VAL 19 -6.648 4.534 -2.069 134 HG22 VAL 19 1HG2 VAL 19 -7.757 5.140 -3.300 135 HG23 VAL 19 2HG2 VAL 19 -6.539 3.937 -3.725 136 H CYS 20 H CYS 20 -5.304 2.567 -0.525 137 HA CYS 20 HA CYS 20 -6.310 3.379 2.059 138 HB2 CYS 20 2HB CYS 20 -3.640 2.878 0.849 139 HB3 CYS 20 1HB CYS 20 -3.721 3.844 2.324 140 H GLU 21 H GLU 21 -5.038 5.362 3.042 141 HA GLU 21 HA GLU 21 -4.920 7.587 1.130 142 HB2 GLU 21 2HB GLU 21 -6.702 7.498 3.567 143 HB3 GLU 21 1HB GLU 21 -6.277 8.988 2.725 144 HG2 GLU 21 2HG GLU 21 -8.254 8.438 1.638 145 HG3 GLU 21 1HG GLU 21 -7.077 7.640 0.596 146 H ILE 22 H ILE 22 -2.842 8.160 1.414 147 HA ILE 22 HA ILE 22 -1.954 8.741 4.174 148 HB ILE 22 HB ILE 22 -0.324 7.473 1.959 149 HG12 ILE 22 2HG1 ILE 22 -0.937 6.347 4.697 150 HG13 ILE 22 1HG1 ILE 22 -2.019 6.070 3.333 151 HG21 ILE 22 1HG2 ILE 22 1.045 9.022 3.249 152 HG22 ILE 22 2HG2 ILE 22 1.444 7.374 3.733 153 HG23 ILE 22 3HG2 ILE 22 0.415 8.370 4.762 154 HD11 ILE 22 3HD1 ILE 22 0.801 5.593 2.684 155 HD12 ILE 22 1HD1 ILE 22 -0.615 4.585 2.376 156 HD13 ILE 22 2HD1 ILE 22 0.184 4.528 3.949 157 H SER 23 H SER 23 -0.897 10.644 4.467 158 HA SER 23 HA SER 23 -0.171 12.776 4.019 159 HB2 SER 23 2HB SER 23 1.503 12.961 2.440 160 HB3 SER 23 1HB SER 23 1.454 11.211 2.633 161 HG SER 23 HG SER 23 0.561 12.829 0.540 162 H GLY 24 H GLY 24 -2.894 11.850 3.166 163 HA2 GLY 24 2HA GLY 24 -4.725 13.007 2.331 164 HA3 GLY 24 1HA GLY 24 -3.629 14.252 1.740 165 H ARG 25 H ARG 25 -2.493 11.274 0.766 166 HA ARG 25 HA ARG 25 -3.787 11.556 -1.872 167 HB2 ARG 25 2HB ARG 25 -1.397 12.008 -1.975 168 HB3 ARG 25 1HB ARG 25 -1.053 10.479 -1.169 169 HG2 ARG 25 2HG ARG 25 -2.009 9.229 -3.032 170 HG3 ARG 25 1HG ARG 25 -2.492 10.730 -3.825 171 HD2 ARG 25 2HD ARG 25 -0.430 9.961 -4.840 172 HD3 ARG 25 1HD ARG 25 -0.083 11.406 -3.894 173 HE ARG 25 HE ARG 25 1.129 10.083 -2.379 174 HH11 ARG 25 1HH2 ARG 25 -0.566 8.195 -4.735 175 HH12 ARG 25 2HH2 ARG 25 0.265 6.723 -4.355 176 HH21 ARG 25 1HH1 ARG 25 2.222 8.156 -1.879 177 HH22 ARG 25 2HH1 ARG 25 1.842 6.701 -2.739 178 H LEU 26 H LEU 26 -4.311 9.637 -3.025 179 HA LEU 26 HA LEU 26 -5.326 7.551 -1.332 180 HB2 LEU 26 2HB LEU 26 -5.302 8.012 -4.313 181 HB3 LEU 26 1HB LEU 26 -5.935 6.523 -3.608 182 HG LEU 26 HG LEU 26 -6.860 9.242 -2.671 183 HD11 LEU 26 1HD1 LEU 26 -7.743 9.484 -4.756 184 HD12 LEU 26 2HD1 LEU 26 -8.910 8.278 -4.212 185 HD13 LEU 26 3HD1 LEU 26 -7.505 7.783 -5.157 186 HD21 LEU 26 3HD2 LEU 26 -8.211 8.037 -1.314 187 HD22 LEU 26 1HD2 LEU 26 -7.262 6.621 -1.760 188 HD23 LEU 26 2HD2 LEU 26 -8.735 7.009 -2.647 189 H TYR 27 H TYR 27 -4.464 5.626 -0.870 190 HA TYR 27 HA TYR 27 -1.986 4.831 -2.272 191 HB2 TYR 27 2HB TYR 27 -2.705 4.836 0.603 192 HB3 TYR 27 1HB TYR 27 -1.710 3.516 -0.011 193 HD1 TYR 27 1HD TYR 27 -1.943 7.208 -0.634 194 HD2 TYR 27 2HD TYR 27 0.567 3.843 0.282 195 HE1 TYR 27 1HE TYR 27 0.048 8.686 -0.633 196 HE2 TYR 27 2HE TYR 27 2.555 5.327 0.283 197 HH TYR 27 HH TYR 27 3.184 7.553 -0.775 198 H ARG 28 H ARG 28 -1.594 2.496 -2.360 199 HA ARG 28 HA ARG 28 -4.129 1.044 -2.778 200 HB2 ARG 28 2HB ARG 28 -1.308 0.574 -3.778 201 HB3 ARG 28 1HB ARG 28 -2.619 -0.586 -4.007 202 HG2 ARG 28 2HG ARG 28 -3.941 1.123 -5.184 203 HG3 ARG 28 1HG ARG 28 -2.648 2.300 -4.939 204 HD2 ARG 28 2HD ARG 28 -1.111 0.918 -6.254 205 HD3 ARG 28 1HD ARG 28 -2.359 -0.308 -6.457 206 HE ARG 28 HE ARG 28 -3.422 1.082 -8.023 207 HH11 ARG 28 1HH2 ARG 28 -0.784 2.653 -6.429 208 HH12 ARG 28 2HH2 ARG 28 -0.736 3.991 -7.528 209 HH21 ARG 28 1HH1 ARG 28 -3.366 2.832 -9.468 210 HH22 ARG 28 2HH1 ARG 28 -2.198 4.093 -9.248 211 H LEU 29 H LEU 29 -4.712 -0.575 -1.467 212 HA LEU 29 HA LEU 29 -2.815 -1.423 0.618 213 HB2 LEU 29 2HB LEU 29 -4.929 -0.542 1.445 214 HB3 LEU 29 1HB LEU 29 -5.827 -1.683 0.443 215 HG LEU 29 HG LEU 29 -4.889 -3.577 1.668 216 HD11 LEU 29 1HD1 LEU 29 -3.565 -2.786 3.839 217 HD12 LEU 29 2HD1 LEU 29 -3.160 -1.409 2.813 218 HD13 LEU 29 3HD1 LEU 29 -2.728 -3.043 2.309 219 HD21 LEU 29 3HD2 LEU 29 -6.238 -3.329 3.528 220 HD22 LEU 29 1HD2 LEU 29 -6.793 -1.926 2.616 221 HD23 LEU 29 2HD2 LEU 29 -5.608 -1.726 3.906 222 H CYS 30 H CYS 30 -1.658 -3.128 -0.077 223 HA CYS 30 HA CYS 30 -3.094 -5.317 -1.418 224 HB2 CYS 30 2HB CYS 30 -0.916 -6.039 -2.256 225 HB3 CYS 30 1HB CYS 30 -1.258 -4.389 -2.730 226 H CYS 31 H CYS 31 -2.896 -7.459 -0.650 227 HA CYS 31 HA CYS 31 -1.627 -7.687 2.008 228 HB2 CYS 31 2HB CYS 31 -4.061 -9.174 1.048 229 HB3 CYS 31 1HB CYS 31 -3.397 -9.167 2.662 230 H ARG 32 H ARG 32 -0.369 -9.447 2.401 231 HA ARG 32 HA ARG 32 -0.285 -11.631 0.453 232 HB2 ARG 32 2HB ARG 32 2.116 -11.423 0.097 233 HB3 ARG 32 1HB ARG 32 1.305 -9.941 -0.407 234 HG2 ARG 32 2HG ARG 32 1.779 -9.136 2.029 235 HG3 ARG 32 1HG ARG 32 2.973 -10.435 2.046 236 HD2 ARG 32 2HD ARG 32 4.000 -9.501 0.002 237 HD3 ARG 32 1HD ARG 32 2.822 -8.197 0.022 238 HE ARG 32 HE ARG 32 3.843 -7.415 2.099 239 HH11 ARG 32 1HH2 ARG 32 5.523 -9.851 0.297 240 HH12 ARG 32 2HH2 ARG 32 7.058 -9.511 1.011 241 HH21 ARG 32 1HH1 ARG 32 5.860 -6.970 3.042 242 HH22 ARG 32 2HH1 ARG 32 7.253 -7.884 2.565 Start of MODEL 16 1 H1 ALA 1 1HT ALA 1 -3.176 -13.649 5.227 2 H2 ALA 1 2HT ALA 1 -2.230 -13.024 6.493 3 H3 ALA 1 3HT ALA 1 -1.616 -14.257 5.500 4 HA ALA 1 HA ALA 1 -0.742 -12.760 4.151 5 HB1 ALA 1 2HB ALA 1 -3.447 -12.823 3.515 6 HB2 ALA 1 3HB ALA 1 -2.177 -12.079 2.541 7 HB3 ALA 1 1HB ALA 1 -3.105 -11.100 3.678 8 H THR 2 H THR 2 -0.303 -10.364 3.839 9 HA THR 2 HA THR 2 -0.692 -8.905 6.381 10 HB THR 2 HB THR 2 1.743 -8.974 4.578 11 HG1 THR 2 1HG THR 2 2.145 -10.569 5.877 12 HG21 THR 2 3HG2 THR 2 2.180 -6.914 5.369 13 HG22 THR 2 1HG2 THR 2 2.321 -7.633 6.974 14 HG23 THR 2 2HG2 THR 2 0.778 -6.970 6.437 15 H CYS 3 H CYS 3 -2.166 -7.405 5.938 16 HA CYS 3 HA CYS 3 -2.253 -6.093 3.349 17 HB2 CYS 3 2HB CYS 3 -3.932 -5.741 5.850 18 HB3 CYS 3 1HB CYS 3 -4.219 -4.932 4.314 19 H TYR 4 H TYR 4 -1.556 -4.069 2.903 20 HA TYR 4 HA TYR 4 -1.065 -2.106 4.942 21 HB2 TYR 4 2HB TYR 4 1.353 -1.906 4.603 22 HB3 TYR 4 1HB TYR 4 0.944 -3.509 5.217 23 HD1 TYR 4 2HD TYR 4 1.973 -1.585 2.234 24 HD2 TYR 4 1HD TYR 4 1.182 -5.489 3.843 25 HE1 TYR 4 2HE TYR 4 3.042 -2.621 0.250 26 HE2 TYR 4 1HE TYR 4 2.249 -6.524 1.857 27 HH TYR 4 HH TYR 4 4.109 -5.657 0.112 28 H CYS 5 H CYS 5 -0.539 -0.030 4.060 29 HA CYS 5 HA CYS 5 -1.414 0.245 1.291 30 HB2 CYS 5 2HB CYS 5 -0.661 2.515 3.103 31 HB3 CYS 5 1HB CYS 5 -1.819 2.480 1.797 32 H ARG 6 H ARG 6 -0.178 1.064 -0.356 33 HA ARG 6 HA ARG 6 2.611 1.800 0.232 34 HB2 ARG 6 2HB ARG 6 3.407 0.409 -1.624 35 HB3 ARG 6 1HB ARG 6 2.585 -0.584 -0.422 36 HG2 ARG 6 2HG ARG 6 0.851 -1.078 -1.810 37 HG3 ARG 6 1HG ARG 6 0.865 0.510 -2.574 38 HD2 ARG 6 2HD ARG 6 1.590 -1.406 -4.065 39 HD3 ARG 6 1HD ARG 6 2.722 -0.064 -3.960 40 HE ARG 6 HE ARG 6 3.126 -2.358 -2.165 41 HH11 ARG 6 1HH2 ARG 6 4.030 -0.481 -4.931 42 HH12 ARG 6 2HH2 ARG 6 5.614 -1.168 -5.050 43 HH21 ARG 6 1HH1 ARG 6 5.203 -3.261 -2.317 44 HH22 ARG 6 2HH1 ARG 6 6.278 -2.742 -3.571 45 H THR 7 H THR 7 3.637 3.018 -1.484 46 HA THR 7 HA THR 7 1.739 4.769 -2.830 47 HB THR 7 HB THR 7 4.700 5.018 -3.171 48 HG1 THR 7 1HG THR 7 4.962 5.100 -1.106 49 HG21 THR 7 3HG2 THR 7 2.534 7.043 -2.563 50 HG22 THR 7 1HG2 THR 7 3.021 6.587 -4.194 51 HG23 THR 7 2HG2 THR 7 4.176 7.376 -3.118 52 H GLY 8 H GLY 8 1.018 2.917 -4.225 53 HA2 GLY 8 2HA GLY 8 1.243 3.001 -6.779 54 HA3 GLY 8 1HA GLY 8 2.871 2.405 -6.467 55 H ARG 9 H ARG 9 1.916 0.663 -7.954 56 HA ARG 9 HA ARG 9 0.007 -1.173 -6.900 57 HB2 ARG 9 2HB ARG 9 0.457 -0.930 -9.316 58 HB3 ARG 9 1HB ARG 9 2.071 -1.595 -9.062 59 HG2 ARG 9 2HG ARG 9 1.206 -3.700 -8.364 60 HG3 ARG 9 1HG ARG 9 -0.431 -3.059 -8.222 61 HD2 ARG 9 2HD ARG 9 -0.276 -4.326 -10.285 62 HD3 ARG 9 1HD ARG 9 -0.418 -2.615 -10.673 63 HE ARG 9 HE ARG 9 2.322 -3.427 -10.510 64 HH11 ARG 9 1HH2 ARG 9 -0.527 -3.483 -12.478 65 HH12 ARG 9 2HH2 ARG 9 0.344 -3.589 -13.972 66 HH21 ARG 9 1HH1 ARG 9 3.464 -3.568 -12.465 67 HH22 ARG 9 2HH1 ARG 9 2.602 -3.636 -13.965 68 H CYS 10 H CYS 10 0.423 -3.358 -6.239 69 HA CYS 10 HA CYS 10 2.951 -3.599 -4.738 70 HB2 CYS 10 2HB CYS 10 0.173 -4.603 -4.313 71 HB3 CYS 10 1HB CYS 10 1.514 -5.548 -3.668 72 H ALA 11 H ALA 11 3.031 -6.284 -4.290 73 HA ALA 11 HA ALA 11 4.006 -7.258 -6.832 74 HB1 ALA 11 1HB ALA 11 3.949 -9.276 -4.774 75 HB2 ALA 11 2HB ALA 11 4.573 -7.762 -4.119 76 HB3 ALA 11 3HB ALA 11 5.342 -8.495 -5.528 77 H THR 12 H THR 12 3.416 -9.384 -7.683 78 HA THR 12 HA THR 12 0.656 -9.613 -8.159 79 HB THR 12 HB THR 12 2.852 -11.667 -8.507 80 HG1 THR 12 1HG THR 12 3.333 -10.137 -9.899 81 HG21 THR 12 3HG2 THR 12 0.847 -12.901 -8.591 82 HG22 THR 12 1HG2 THR 12 1.154 -12.495 -10.280 83 HG23 THR 12 2HG2 THR 12 -0.037 -11.580 -9.356 84 H ARG 13 H ARG 13 2.786 -11.412 -5.970 85 HA ARG 13 HA ARG 13 0.933 -13.300 -5.055 86 HB2 ARG 13 2HB ARG 13 3.239 -11.999 -3.578 87 HB3 ARG 13 1HB ARG 13 2.390 -13.453 -3.050 88 HG2 ARG 13 2HG ARG 13 3.556 -13.327 -5.817 89 HG3 ARG 13 1HG ARG 13 4.596 -13.701 -4.444 90 HD2 ARG 13 2HD ARG 13 2.018 -15.180 -5.033 91 HD3 ARG 13 1HD ARG 13 3.597 -15.723 -5.590 92 HE ARG 13 HE ARG 13 3.544 -15.229 -2.757 93 HH11 ARG 13 1HH2 ARG 13 2.760 -17.456 -5.286 94 HH12 ARG 13 2HH2 ARG 13 2.863 -18.856 -4.272 95 HH21 ARG 13 1HH1 ARG 13 3.678 -17.060 -1.421 96 HH22 ARG 13 2HH1 ARG 13 3.382 -18.634 -2.084 97 H GLU 14 H GLU 14 1.373 -9.929 -4.249 98 HA GLU 14 HA GLU 14 -0.202 -9.957 -1.861 99 HB2 GLU 14 2HB GLU 14 0.046 -7.478 -3.503 100 HB3 GLU 14 1HB GLU 14 0.200 -7.702 -1.761 101 HG2 GLU 14 2HG GLU 14 2.305 -9.141 -2.474 102 HG3 GLU 14 1HG GLU 14 2.227 -8.111 -3.901 103 H SER 15 H SER 15 -2.245 -8.662 -1.673 104 HA SER 15 HA SER 15 -3.943 -8.885 -4.076 105 HB2 SER 15 2HB SER 15 -5.772 -9.672 -2.467 106 HB3 SER 15 1HB SER 15 -4.518 -10.808 -2.914 107 HG SER 15 HG SER 15 -4.967 -9.504 -0.497 108 H LEU 16 H LEU 16 -5.233 -7.202 -4.399 109 HA LEU 16 HA LEU 16 -5.013 -4.902 -2.676 110 HB2 LEU 16 2HB LEU 16 -5.664 -5.332 -5.372 111 HB3 LEU 16 1HB LEU 16 -7.129 -4.680 -4.639 112 HG LEU 16 HG LEU 16 -5.672 -2.861 -5.449 113 HD11 LEU 16 1HD1 LEU 16 -6.658 -3.195 -2.769 114 HD12 LEU 16 2HD1 LEU 16 -6.528 -1.711 -3.712 115 HD13 LEU 16 3HD1 LEU 16 -5.175 -2.241 -2.715 116 HD21 LEU 16 3HD2 LEU 16 -3.620 -4.521 -4.543 117 HD22 LEU 16 1HD2 LEU 16 -3.617 -3.182 -3.396 118 HD23 LEU 16 2HD2 LEU 16 -3.432 -2.865 -5.120 119 H SER 17 H SER 17 -6.279 -4.384 -1.016 120 HA SER 17 HA SER 17 -8.813 -5.858 -0.684 121 HB2 SER 17 2HB SER 17 -8.582 -5.507 1.671 122 HB3 SER 17 1HB SER 17 -7.006 -6.029 1.088 123 HG SER 17 HG SER 17 -7.696 -3.300 1.221 124 H GLY 18 H GLY 18 -7.397 -2.691 -0.989 125 HA2 GLY 18 2HA GLY 18 -9.755 -1.393 -1.726 126 HA3 GLY 18 1HA GLY 18 -9.562 -1.154 0.009 127 H VAL 19 H VAL 19 -9.518 1.124 -1.196 128 HA VAL 19 HA VAL 19 -6.773 1.809 -2.015 129 HB VAL 19 HB VAL 19 -8.345 2.763 -3.494 130 HG11 VAL 19 1HG1 VAL 19 -9.962 3.118 -0.996 131 HG12 VAL 19 2HG1 VAL 19 -10.456 2.497 -2.572 132 HG13 VAL 19 3HG1 VAL 19 -10.241 4.231 -2.335 133 HG21 VAL 19 3HG2 VAL 19 -7.819 5.008 -3.329 134 HG22 VAL 19 1HG2 VAL 19 -6.688 4.370 -2.135 135 HG23 VAL 19 2HG2 VAL 19 -8.215 5.080 -1.611 136 H CYS 20 H CYS 20 -5.399 2.570 -0.560 137 HA CYS 20 HA CYS 20 -6.289 3.368 2.080 138 HB2 CYS 20 2HB CYS 20 -3.660 2.869 0.758 139 HB3 CYS 20 1HB CYS 20 -3.705 3.794 2.258 140 H GLU 21 H GLU 21 -4.846 5.334 2.964 141 HA GLU 21 HA GLU 21 -4.765 7.557 1.075 142 HB2 GLU 21 2HB GLU 21 -6.624 7.487 3.459 143 HB3 GLU 21 1HB GLU 21 -6.191 8.964 2.596 144 HG2 GLU 21 2HG GLU 21 -7.074 8.010 0.502 145 HG3 GLU 21 1HG GLU 21 -7.500 6.526 1.353 146 H ILE 22 H ILE 22 -2.708 8.145 1.426 147 HA ILE 22 HA ILE 22 -1.914 8.738 4.213 148 HB ILE 22 HB ILE 22 -0.215 7.455 2.063 149 HG12 ILE 22 2HG1 ILE 22 -0.864 6.332 4.787 150 HG13 ILE 22 1HG1 ILE 22 -1.971 6.089 3.437 151 HG21 ILE 22 1HG2 ILE 22 0.431 8.961 4.492 152 HG22 ILE 22 2HG2 ILE 22 1.488 8.456 3.173 153 HG23 ILE 22 3HG2 ILE 22 1.126 7.341 4.492 154 HD11 ILE 22 3HD1 ILE 22 -0.619 4.576 2.462 155 HD12 ILE 22 1HD1 ILE 22 0.220 4.506 4.012 156 HD13 ILE 22 2HD1 ILE 22 0.819 5.559 2.730 157 H SER 23 H SER 23 -1.002 10.691 4.531 158 HA SER 23 HA SER 23 -0.238 12.813 4.093 159 HB2 SER 23 2HB SER 23 1.512 12.998 2.591 160 HB3 SER 23 1HB SER 23 1.487 11.256 2.843 161 HG SER 23 HG SER 23 0.436 11.005 0.928 162 H GLY 24 H GLY 24 -2.907 11.895 3.147 163 HA2 GLY 24 2HA GLY 24 -4.690 13.041 2.199 164 HA3 GLY 24 1HA GLY 24 -3.555 14.246 1.597 165 H ARG 25 H ARG 25 -2.281 11.357 0.728 166 HA ARG 25 HA ARG 25 -3.494 11.492 -1.950 167 HB2 ARG 25 2HB ARG 25 -1.135 11.883 -2.031 168 HB3 ARG 25 1HB ARG 25 -0.815 10.480 -1.016 169 HG2 ARG 25 2HG ARG 25 -1.720 8.995 -2.765 170 HG3 ARG 25 1HG ARG 25 -2.068 10.398 -3.777 171 HD2 ARG 25 2HD ARG 25 0.693 9.691 -2.769 172 HD3 ARG 25 1HD ARG 25 0.081 9.223 -4.351 173 HE ARG 25 HE ARG 25 -0.245 12.007 -4.043 174 HH11 ARG 25 1HH2 ARG 25 2.212 9.587 -4.352 175 HH12 ARG 25 2HH2 ARG 25 3.349 10.646 -5.118 176 HH21 ARG 25 1HH1 ARG 25 1.243 13.398 -5.045 177 HH22 ARG 25 2HH1 ARG 25 2.802 12.803 -5.511 178 H LEU 26 H LEU 26 -4.358 9.707 -2.913 179 HA LEU 26 HA LEU 26 -5.294 7.618 -1.207 180 HB2 LEU 26 2HB LEU 26 -6.466 6.819 -3.095 181 HB3 LEU 26 1HB LEU 26 -6.409 8.565 -3.323 182 HG LEU 26 HG LEU 26 -4.148 7.999 -4.586 183 HD11 LEU 26 1HD1 LEU 26 -5.023 5.427 -3.944 184 HD12 LEU 26 2HD1 LEU 26 -3.802 5.837 -5.149 185 HD13 LEU 26 3HD1 LEU 26 -5.484 5.622 -5.635 186 HD21 LEU 26 3HD2 LEU 26 -6.915 7.535 -5.744 187 HD22 LEU 26 1HD2 LEU 26 -5.462 7.844 -6.694 188 HD23 LEU 26 2HD2 LEU 26 -6.088 9.087 -5.612 189 H TYR 27 H TYR 27 -4.357 5.758 -0.691 190 HA TYR 27 HA TYR 27 -1.992 4.872 -2.223 191 HB2 TYR 27 2HB TYR 27 -2.651 4.833 0.665 192 HB3 TYR 27 1HB TYR 27 -1.700 3.509 -0.002 193 HD1 TYR 27 2HD TYR 27 -1.838 7.194 -0.688 194 HD2 TYR 27 1HD TYR 27 0.567 3.806 0.397 195 HE1 TYR 27 2HE TYR 27 0.191 8.621 -0.698 196 HE2 TYR 27 1HE TYR 27 2.593 5.239 0.382 197 HH TYR 27 HH TYR 27 3.111 7.689 0.656 198 H ARG 28 H ARG 28 -1.648 2.491 -2.238 199 HA ARG 28 HA ARG 28 -4.236 1.136 -2.691 200 HB2 ARG 28 2HB ARG 28 -1.438 0.502 -3.685 201 HB3 ARG 28 1HB ARG 28 -2.860 -0.493 -4.006 202 HG2 ARG 28 2HG ARG 28 -3.954 1.400 -5.124 203 HG3 ARG 28 1HG ARG 28 -2.564 2.426 -4.770 204 HD2 ARG 28 2HD ARG 28 -2.412 1.594 -7.065 205 HD3 ARG 28 1HD ARG 28 -1.121 0.901 -6.088 206 HE ARG 28 HE ARG 28 -2.158 -1.197 -6.265 207 HH11 ARG 28 1HH2 ARG 28 -4.114 1.358 -7.540 208 HH12 ARG 28 2HH2 ARG 28 -5.238 0.293 -8.318 209 HH21 ARG 28 1HH1 ARG 28 -3.629 -2.598 -7.281 210 HH22 ARG 28 2HH1 ARG 28 -4.965 -1.945 -8.171 211 H LEU 29 H LEU 29 -4.829 -0.562 -1.465 212 HA LEU 29 HA LEU 29 -2.971 -1.425 0.650 213 HB2 LEU 29 2HB LEU 29 -5.135 -0.572 1.415 214 HB3 LEU 29 1HB LEU 29 -5.972 -1.746 0.400 215 HG LEU 29 HG LEU 29 -5.010 -3.599 1.668 216 HD11 LEU 29 1HD1 LEU 29 -3.434 -1.359 2.921 217 HD12 LEU 29 2HD1 LEU 29 -2.863 -2.911 2.304 218 HD13 LEU 29 3HD1 LEU 29 -3.738 -2.838 3.833 219 HD21 LEU 29 3HD2 LEU 29 -6.989 -2.008 2.550 220 HD22 LEU 29 1HD2 LEU 29 -5.842 -1.748 3.865 221 HD23 LEU 29 2HD2 LEU 29 -6.408 -3.376 3.498 222 H CYS 30 H CYS 30 -1.774 -3.096 -0.066 223 HA CYS 30 HA CYS 30 -3.167 -5.282 -1.466 224 HB2 CYS 30 2HB CYS 30 -0.918 -5.979 -2.220 225 HB3 CYS 30 1HB CYS 30 -1.339 -4.368 -2.766 226 H CYS 31 H CYS 31 -2.936 -7.453 -0.721 227 HA CYS 31 HA CYS 31 -1.678 -7.688 1.940 228 HB2 CYS 31 2HB CYS 31 -4.138 -9.130 0.961 229 HB3 CYS 31 1HB CYS 31 -3.448 -9.195 2.572 230 H ARG 32 H ARG 32 -0.225 -9.282 2.159 231 HA ARG 32 HA ARG 32 -0.202 -11.461 0.179 232 HB2 ARG 32 2HB ARG 32 2.199 -11.285 -0.068 233 HB3 ARG 32 1HB ARG 32 1.453 -9.737 -0.476 234 HG2 ARG 32 2HG ARG 32 1.836 -9.324 2.147 235 HG3 ARG 32 1HG ARG 32 3.149 -10.465 1.859 236 HD2 ARG 32 2HD ARG 32 2.655 -7.987 0.207 237 HD3 ARG 32 1HD ARG 32 3.813 -8.071 1.531 238 HE ARG 32 HE ARG 32 4.102 -9.263 -1.110 239 HH11 ARG 32 1HH2 ARG 32 5.113 -9.147 2.198 240 HH12 ARG 32 2HH2 ARG 32 6.668 -9.847 1.891 241 HH21 ARG 32 1HH1 ARG 32 6.139 -10.182 -1.519 242 HH22 ARG 32 2HH1 ARG 32 7.248 -10.432 -0.214 Start of MODEL 17 1 H1 ALA 1 1HT ALA 1 -1.251 -13.898 5.955 2 H2 ALA 1 2HT ALA 1 -2.340 -14.223 4.692 3 H3 ALA 1 3HT ALA 1 -2.717 -13.049 5.863 4 HA ALA 1 HA ALA 1 -0.338 -12.806 4.126 5 HB1 ALA 1 2HB ALA 1 -3.110 -11.683 3.612 6 HB2 ALA 1 3HB ALA 1 -2.390 -13.025 2.723 7 HB3 ALA 1 1HB ALA 1 -1.675 -11.414 2.623 8 H THR 2 H THR 2 -0.020 -10.333 3.837 9 HA THR 2 HA THR 2 -0.591 -8.982 6.401 10 HB THR 2 HB THR 2 1.921 -8.866 4.710 11 HG1 THR 2 1HG THR 2 1.919 -10.641 6.018 12 HG21 THR 2 3HG2 THR 2 2.303 -7.561 7.168 13 HG22 THR 2 1HG2 THR 2 0.760 -6.962 6.559 14 HG23 THR 2 2HG2 THR 2 2.214 -6.811 5.574 15 H CYS 3 H CYS 3 -2.033 -7.444 6.020 16 HA CYS 3 HA CYS 3 -2.202 -6.133 3.436 17 HB2 CYS 3 2HB CYS 3 -3.805 -5.799 5.989 18 HB3 CYS 3 1HB CYS 3 -4.133 -4.951 4.484 19 H TYR 4 H TYR 4 -1.524 -4.115 2.955 20 HA TYR 4 HA TYR 4 -0.981 -2.124 4.944 21 HB2 TYR 4 2HB TYR 4 1.435 -1.948 4.583 22 HB3 TYR 4 1HB TYR 4 1.023 -3.533 5.236 23 HD1 TYR 4 1HD TYR 4 1.905 -1.689 2.136 24 HD2 TYR 4 2HD TYR 4 1.369 -5.537 3.969 25 HE1 TYR 4 1HE TYR 4 2.951 -2.774 0.166 26 HE2 TYR 4 2HE TYR 4 2.415 -6.621 1.999 27 HH TYR 4 HH TYR 4 3.859 -6.110 0.171 28 H CYS 5 H CYS 5 -0.574 -0.075 4.035 29 HA CYS 5 HA CYS 5 -1.341 0.120 1.223 30 HB2 CYS 5 2HB CYS 5 -0.818 2.478 3.002 31 HB3 CYS 5 1HB CYS 5 -1.937 2.309 1.689 32 H ARG 6 H ARG 6 -0.054 0.920 -0.379 33 HA ARG 6 HA ARG 6 2.609 1.940 0.336 34 HB2 ARG 6 2HB ARG 6 3.774 0.452 -1.046 35 HB3 ARG 6 1HB ARG 6 2.585 -0.590 -0.258 36 HG2 ARG 6 2HG ARG 6 1.170 -0.614 -2.174 37 HG3 ARG 6 1HG ARG 6 2.052 0.706 -2.943 38 HD2 ARG 6 2HD ARG 6 3.277 -1.973 -2.322 39 HD3 ARG 6 1HD ARG 6 2.613 -1.521 -3.890 40 HE ARG 6 HE ARG 6 5.103 -0.583 -2.704 41 HH11 ARG 6 1HH2 ARG 6 2.623 -0.159 -5.078 42 HH12 ARG 6 2HH2 ARG 6 3.610 0.787 -6.141 43 HH21 ARG 6 1HH1 ARG 6 6.402 0.660 -4.092 44 HH22 ARG 6 2HH1 ARG 6 5.748 1.252 -5.583 45 H THR 7 H THR 7 3.566 3.267 -1.275 46 HA THR 7 HA THR 7 1.650 4.735 -2.843 47 HB THR 7 HB THR 7 3.235 6.216 -2.137 48 HG1 THR 7 1HG THR 7 3.408 5.744 -4.574 49 HG21 THR 7 3HG2 THR 7 4.605 4.812 -0.834 50 HG22 THR 7 1HG2 THR 7 5.719 5.482 -2.027 51 HG23 THR 7 2HG2 THR 7 5.091 3.846 -2.228 52 H GLY 8 H GLY 8 0.928 3.031 -4.268 53 HA2 GLY 8 2HA GLY 8 1.300 2.968 -6.790 54 HA3 GLY 8 1HA GLY 8 2.875 2.301 -6.369 55 H ARG 9 H ARG 9 2.011 0.521 -7.788 56 HA ARG 9 HA ARG 9 -0.033 -1.193 -6.677 57 HB2 ARG 9 2HB ARG 9 0.154 -1.069 -9.076 58 HB3 ARG 9 1HB ARG 9 1.852 -1.543 -9.007 59 HG2 ARG 9 2HG ARG 9 1.286 -3.724 -8.177 60 HG3 ARG 9 1HG ARG 9 -0.401 -3.270 -7.961 61 HD2 ARG 9 2HD ARG 9 -0.673 -2.996 -10.358 62 HD3 ARG 9 1HD ARG 9 1.035 -3.325 -10.624 63 HE ARG 9 HE ARG 9 -0.042 -5.518 -9.253 64 HH11 ARG 9 1HH2 ARG 9 -0.361 -3.871 -12.279 65 HH12 ARG 9 2HH2 ARG 9 -0.820 -5.290 -13.160 66 HH21 ARG 9 1HH1 ARG 9 -0.644 -7.382 -10.400 67 HH22 ARG 9 2HH1 ARG 9 -0.980 -7.278 -12.097 68 H CYS 10 H CYS 10 0.368 -3.441 -6.127 69 HA CYS 10 HA CYS 10 2.952 -3.756 -4.728 70 HB2 CYS 10 2HB CYS 10 0.177 -4.692 -4.200 71 HB3 CYS 10 1HB CYS 10 1.496 -5.737 -3.691 72 H ALA 11 H ALA 11 2.898 -6.504 -4.367 73 HA ALA 11 HA ALA 11 3.769 -7.395 -6.993 74 HB1 ALA 11 1HB ALA 11 3.857 -9.491 -5.051 75 HB2 ALA 11 2HB ALA 11 4.436 -8.007 -4.296 76 HB3 ALA 11 3HB ALA 11 5.201 -8.604 -5.768 77 H THR 12 H THR 12 3.116 -9.517 -7.833 78 HA THR 12 HA THR 12 0.335 -9.733 -8.155 79 HB THR 12 HB THR 12 2.609 -11.623 -8.727 80 HG1 THR 12 1HG THR 12 0.788 -10.238 -10.397 81 HG21 THR 12 3HG2 THR 12 0.514 -12.601 -10.173 82 HG22 THR 12 1HG2 THR 12 -0.298 -12.133 -8.680 83 HG23 THR 12 2HG2 THR 12 1.047 -13.272 -8.631 84 H ARG 13 H ARG 13 2.582 -11.502 -6.067 85 HA ARG 13 HA ARG 13 0.804 -13.408 -5.047 86 HB2 ARG 13 2HB ARG 13 3.160 -12.043 -3.717 87 HB3 ARG 13 1HB ARG 13 2.345 -13.473 -3.083 88 HG2 ARG 13 2HG ARG 13 3.427 -13.426 -5.894 89 HG3 ARG 13 1HG ARG 13 4.463 -13.842 -4.528 90 HD2 ARG 13 2HD ARG 13 2.851 -15.614 -3.877 91 HD3 ARG 13 1HD ARG 13 1.875 -15.230 -5.287 92 HE ARG 13 HE ARG 13 4.674 -15.965 -5.743 93 HH11 ARG 13 1HH2 ARG 13 1.304 -16.744 -5.796 94 HH12 ARG 13 2HH2 ARG 13 1.491 -18.089 -6.869 95 HH21 ARG 13 1HH1 ARG 13 4.928 -17.729 -7.150 96 HH22 ARG 13 2HH1 ARG 13 3.541 -18.648 -7.637 97 H GLU 14 H GLU 14 1.246 -10.022 -4.271 98 HA GLU 14 HA GLU 14 -0.252 -10.048 -1.838 99 HB2 GLU 14 2HB GLU 14 -0.093 -7.589 -3.513 100 HB3 GLU 14 1HB GLU 14 0.119 -7.787 -1.773 101 HG2 GLU 14 2HG GLU 14 2.210 -9.254 -2.647 102 HG3 GLU 14 1HG GLU 14 2.093 -8.088 -3.960 103 H SER 15 H SER 15 -2.278 -8.647 -1.645 104 HA SER 15 HA SER 15 -4.060 -8.988 -3.969 105 HB2 SER 15 2HB SER 15 -5.840 -9.667 -2.223 106 HB3 SER 15 1HB SER 15 -4.655 -10.846 -2.713 107 HG SER 15 HG SER 15 -5.145 -9.974 -0.290 108 H LEU 16 H LEU 16 -5.374 -7.304 -4.317 109 HA LEU 16 HA LEU 16 -5.064 -4.946 -2.681 110 HB2 LEU 16 2HB LEU 16 -5.858 -5.515 -5.360 111 HB3 LEU 16 1HB LEU 16 -7.165 -4.617 -4.586 112 HG LEU 16 HG LEU 16 -5.416 -3.158 -5.671 113 HD11 LEU 16 1HD1 LEU 16 -6.615 -1.967 -4.085 114 HD12 LEU 16 2HD1 LEU 16 -5.001 -1.872 -3.378 115 HD13 LEU 16 3HD1 LEU 16 -6.163 -3.053 -2.772 116 HD21 LEU 16 3HD2 LEU 16 -3.663 -4.923 -4.406 117 HD22 LEU 16 1HD2 LEU 16 -3.541 -3.447 -3.443 118 HD23 LEU 16 2HD2 LEU 16 -3.218 -3.400 -5.178 119 H SER 17 H SER 17 -6.256 -4.423 -0.983 120 HA SER 17 HA SER 17 -8.827 -5.807 -0.594 121 HB2 SER 17 2HB SER 17 -8.571 -5.364 1.742 122 HB3 SER 17 1HB SER 17 -7.010 -5.935 1.168 123 HG SER 17 HG SER 17 -7.639 -3.603 2.310 124 H GLY 18 H GLY 18 -7.402 -2.706 -1.158 125 HA2 GLY 18 2HA GLY 18 -9.696 -1.393 -1.932 126 HA3 GLY 18 1HA GLY 18 -9.579 -1.112 -0.198 127 H VAL 19 H VAL 19 -9.470 1.134 -1.455 128 HA VAL 19 HA VAL 19 -6.686 1.787 -2.152 129 HB VAL 19 HB VAL 19 -8.175 2.714 -3.731 130 HG11 VAL 19 1HG1 VAL 19 -9.897 3.231 -1.322 131 HG12 VAL 19 2HG1 VAL 19 -10.319 2.439 -2.840 132 HG13 VAL 19 3HG1 VAL 19 -10.129 4.191 -2.784 133 HG21 VAL 19 3HG2 VAL 19 -8.141 5.096 -1.949 134 HG22 VAL 19 1HG2 VAL 19 -7.588 4.928 -3.616 135 HG23 VAL 19 2HG2 VAL 19 -6.584 4.342 -2.289 136 H CYS 20 H CYS 20 -5.389 2.493 -0.596 137 HA CYS 20 HA CYS 20 -6.413 3.382 1.953 138 HB2 CYS 20 2HB CYS 20 -3.719 2.854 0.789 139 HB3 CYS 20 1HB CYS 20 -3.831 3.825 2.260 140 H GLU 21 H GLU 21 -4.724 5.343 2.758 141 HA GLU 21 HA GLU 21 -4.578 7.519 0.876 142 HB2 GLU 21 2HB GLU 21 -6.141 8.965 2.313 143 HB3 GLU 21 1HB GLU 21 -6.895 7.803 1.221 144 HG2 GLU 21 2HG GLU 21 -7.127 6.197 3.074 145 HG3 GLU 21 1HG GLU 21 -6.355 7.343 4.168 146 H ILE 22 H ILE 22 -2.673 8.345 1.435 147 HA ILE 22 HA ILE 22 -2.125 8.791 4.309 148 HB ILE 22 HB ILE 22 0.051 8.171 2.333 149 HG12 ILE 22 2HG1 ILE 22 -1.719 6.340 2.349 150 HG13 ILE 22 1HG1 ILE 22 -0.109 5.826 2.848 151 HG21 ILE 22 1HG2 ILE 22 1.113 7.345 4.477 152 HG22 ILE 22 2HG2 ILE 22 -0.281 8.003 5.336 153 HG23 ILE 22 3HG2 ILE 22 0.791 9.078 4.436 154 HD11 ILE 22 3HD1 ILE 22 -0.738 6.023 5.198 155 HD12 ILE 22 1HD1 ILE 22 -1.886 4.975 4.364 156 HD13 ILE 22 2HD1 ILE 22 -2.326 6.638 4.747 157 H SER 23 H SER 23 -1.419 10.779 4.845 158 HA SER 23 HA SER 23 -0.937 13.018 4.635 159 HB2 SER 23 2HB SER 23 0.616 13.471 2.545 160 HB3 SER 23 1HB SER 23 1.224 12.584 3.938 161 HG SER 23 HG SER 23 0.817 11.757 1.386 162 H GLY 24 H GLY 24 -3.281 11.774 3.172 163 HA2 GLY 24 2HA GLY 24 -5.076 12.909 2.150 164 HA3 GLY 24 1HA GLY 24 -3.954 14.155 1.612 165 H ARG 25 H ARG 25 -2.110 11.897 0.701 166 HA ARG 25 HA ARG 25 -3.116 11.760 -1.999 167 HB2 ARG 25 2HB ARG 25 -0.723 12.101 -1.558 168 HB3 ARG 25 1HB ARG 25 -0.655 10.529 -0.782 169 HG2 ARG 25 2HG ARG 25 -1.370 9.447 -2.881 170 HG3 ARG 25 1HG ARG 25 -1.435 11.025 -3.665 171 HD2 ARG 25 2HD ARG 25 1.054 9.857 -2.395 172 HD3 ARG 25 1HD ARG 25 0.691 9.777 -4.116 173 HE ARG 25 HE ARG 25 1.548 12.126 -2.631 174 HH11 ARG 25 1HH2 ARG 25 0.063 10.817 -5.469 175 HH12 ARG 25 2HH2 ARG 25 0.396 12.205 -6.451 176 HH21 ARG 25 1HH1 ARG 25 1.989 13.950 -3.913 177 HH22 ARG 25 2HH1 ARG 25 1.486 13.978 -5.570 178 H LEU 26 H LEU 26 -3.563 9.859 -3.175 179 HA LEU 26 HA LEU 26 -4.956 7.865 -1.643 180 HB2 LEU 26 2HB LEU 26 -4.491 8.391 -4.561 181 HB3 LEU 26 1HB LEU 26 -5.108 6.818 -4.053 182 HG LEU 26 HG LEU 26 -6.864 8.602 -4.610 183 HD11 LEU 26 1HD1 LEU 26 -7.806 8.055 -2.038 184 HD12 LEU 26 2HD1 LEU 26 -6.686 6.736 -2.375 185 HD13 LEU 26 3HD1 LEU 26 -8.035 7.047 -3.466 186 HD21 LEU 26 3HD2 LEU 26 -5.476 10.352 -3.281 187 HD22 LEU 26 1HD2 LEU 26 -6.218 9.638 -1.850 188 HD23 LEU 26 2HD2 LEU 26 -7.229 10.374 -3.091 189 H TYR 27 H TYR 27 -4.405 5.782 -1.232 190 HA TYR 27 HA TYR 27 -1.788 4.828 -2.208 191 HB2 TYR 27 2HB TYR 27 -2.746 5.081 0.589 192 HB3 TYR 27 1HB TYR 27 -1.780 3.676 0.159 193 HD1 TYR 27 2HD TYR 27 -1.819 7.397 -0.139 194 HD2 TYR 27 1HD TYR 27 0.550 3.823 0.039 195 HE1 TYR 27 2HE TYR 27 0.251 8.762 -0.056 196 HE2 TYR 27 1HE TYR 27 2.618 5.192 0.112 197 HH TYR 27 HH TYR 27 3.466 7.238 0.062 198 H ARG 28 H ARG 28 -1.578 2.550 -2.384 199 HA ARG 28 HA ARG 28 -4.176 1.195 -2.710 200 HB2 ARG 28 2HB ARG 28 -1.411 0.608 -3.802 201 HB3 ARG 28 1HB ARG 28 -2.790 -0.473 -4.011 202 HG2 ARG 28 2HG ARG 28 -4.045 1.307 -5.140 203 HG3 ARG 28 1HG ARG 28 -2.707 2.430 -4.889 204 HD2 ARG 28 2HD ARG 28 -1.239 1.007 -6.252 205 HD3 ARG 28 1HD ARG 28 -2.550 -0.148 -6.479 206 HE ARG 28 HE ARG 28 -3.547 1.334 -7.999 207 HH11 ARG 28 1HH2 ARG 28 -0.848 2.746 -6.357 208 HH12 ARG 28 2HH2 ARG 28 -0.750 4.118 -7.408 209 HH21 ARG 28 1HH1 ARG 28 -3.425 3.132 -9.382 210 HH22 ARG 28 2HH1 ARG 28 -2.208 4.338 -9.122 211 H LEU 29 H LEU 29 -4.744 -0.523 -1.501 212 HA LEU 29 HA LEU 29 -2.858 -1.386 0.581 213 HB2 LEU 29 2HB LEU 29 -5.003 -0.545 1.401 214 HB3 LEU 29 1HB LEU 29 -5.864 -1.693 0.383 215 HG LEU 29 HG LEU 29 -4.920 -3.573 1.603 216 HD11 LEU 29 1HD1 LEU 29 -2.762 -3.052 2.253 217 HD12 LEU 29 2HD1 LEU 29 -3.593 -2.762 3.780 218 HD13 LEU 29 3HD1 LEU 29 -3.184 -1.407 2.732 219 HD21 LEU 29 3HD2 LEU 29 -6.825 -1.942 2.575 220 HD22 LEU 29 1HD2 LEU 29 -5.634 -1.747 3.861 221 HD23 LEU 29 2HD2 LEU 29 -6.257 -3.350 3.473 222 H CYS 30 H CYS 30 -1.728 -3.146 0.065 223 HA CYS 30 HA CYS 30 -3.114 -5.302 -1.387 224 HB2 CYS 30 2HB CYS 30 -0.958 -5.974 -2.275 225 HB3 CYS 30 1HB CYS 30 -1.254 -4.283 -2.650 226 H CYS 31 H CYS 31 -2.929 -7.429 -0.626 227 HA CYS 31 HA CYS 31 -1.609 -7.692 2.010 228 HB2 CYS 31 2HB CYS 31 -4.099 -9.116 1.086 229 HB3 CYS 31 1HB CYS 31 -3.378 -9.188 2.673 230 H ARG 32 H ARG 32 -0.166 -9.292 2.204 231 HA ARG 32 HA ARG 32 -0.206 -11.494 0.243 232 HB2 ARG 32 2HB ARG 32 2.169 -11.305 -0.141 233 HB3 ARG 32 1HB ARG 32 1.424 -9.745 -0.488 234 HG2 ARG 32 2HG ARG 32 1.950 -9.341 2.101 235 HG3 ARG 32 1HG ARG 32 3.208 -10.534 1.771 236 HD2 ARG 32 2HD ARG 32 3.972 -9.159 -0.152 237 HD3 ARG 32 1HD ARG 32 2.756 -7.950 0.259 238 HE ARG 32 HE ARG 32 4.152 -8.216 2.578 239 HH11 ARG 32 1HH2 ARG 32 5.036 -7.719 -0.731 240 HH12 ARG 32 2HH2 ARG 32 6.466 -6.816 -0.358 241 HH21 ARG 32 1HH1 ARG 32 6.028 -7.034 3.075 242 HH22 ARG 32 2HH1 ARG 32 7.027 -6.429 1.797 Start of MODEL 18 1 H1 ALA 1 1HT ALA 1 -2.749 -13.061 6.514 2 H2 ALA 1 2HT ALA 1 -1.300 -13.942 6.427 3 H3 ALA 1 3HT ALA 1 -2.560 -14.266 5.336 4 HA ALA 1 HA ALA 1 -0.597 -12.888 4.503 5 HB1 ALA 1 2HB ALA 1 -3.359 -12.924 3.914 6 HB2 ALA 1 3HB ALA 1 -2.050 -12.399 2.855 7 HB3 ALA 1 1HB ALA 1 -2.879 -11.228 3.881 8 H THR 2 H THR 2 -0.166 -10.506 4.149 9 HA THR 2 HA THR 2 -0.611 -8.989 6.645 10 HB THR 2 HB THR 2 1.843 -9.121 4.874 11 HG1 THR 2 1HG THR 2 2.560 -10.353 6.397 12 HG21 THR 2 3HG2 THR 2 0.856 -7.032 6.696 13 HG22 THR 2 1HG2 THR 2 2.092 -6.938 5.442 14 HG23 THR 2 2HG2 THR 2 2.503 -7.565 7.039 15 H CYS 3 H CYS 3 -2.049 -7.473 6.199 16 HA CYS 3 HA CYS 3 -2.194 -6.242 3.574 17 HB2 CYS 3 2HB CYS 3 -3.836 -5.870 6.090 18 HB3 CYS 3 1HB CYS 3 -4.125 -5.014 4.580 19 H TYR 4 H TYR 4 -1.520 -4.228 3.053 20 HA TYR 4 HA TYR 4 -0.957 -2.226 5.045 21 HB2 TYR 4 2HB TYR 4 1.436 -2.025 4.607 22 HB3 TYR 4 1HB TYR 4 1.070 -3.636 5.221 23 HD1 TYR 4 2HD TYR 4 1.956 -1.672 2.222 24 HD2 TYR 4 1HD TYR 4 1.248 -5.600 3.809 25 HE1 TYR 4 2HE TYR 4 2.941 -2.674 0.178 26 HE2 TYR 4 1HE TYR 4 2.232 -6.602 1.765 27 HH TYR 4 HH TYR 4 2.915 -4.737 -1.051 28 H CYS 5 H CYS 5 -0.526 -0.163 4.119 29 HA CYS 5 HA CYS 5 -1.451 0.054 1.354 30 HB2 CYS 5 2HB CYS 5 -0.839 2.353 3.196 31 HB3 CYS 5 1HB CYS 5 -1.930 2.286 1.842 32 H ARG 6 H ARG 6 -0.266 1.002 -0.282 33 HA ARG 6 HA ARG 6 2.502 1.811 0.325 34 HB2 ARG 6 2HB ARG 6 3.358 0.512 -1.546 35 HB3 ARG 6 1HB ARG 6 2.496 -0.564 -0.445 36 HG2 ARG 6 2HG ARG 6 0.730 -0.878 -1.893 37 HG3 ARG 6 1HG ARG 6 0.951 0.679 -2.688 38 HD2 ARG 6 2HD ARG 6 2.953 -1.568 -2.931 39 HD3 ARG 6 1HD ARG 6 1.611 -1.353 -4.052 40 HE ARG 6 HE ARG 6 2.693 1.049 -4.220 41 HH11 ARG 6 1HH2 ARG 6 4.216 -2.049 -3.977 42 HH12 ARG 6 2HH2 ARG 6 5.628 -1.578 -4.863 43 HH21 ARG 6 1HH1 ARG 6 4.543 1.674 -5.381 44 HH22 ARG 6 2HH1 ARG 6 5.814 0.529 -5.657 45 H THR 7 H THR 7 3.477 3.134 -1.344 46 HA THR 7 HA THR 7 1.515 4.881 -2.600 47 HB THR 7 HB THR 7 3.594 5.679 -1.351 48 HG1 THR 7 1HG THR 7 2.428 6.533 -3.594 49 HG21 THR 7 3HG2 THR 7 4.881 3.901 -3.010 50 HG22 THR 7 1HG2 THR 7 5.670 5.212 -2.133 51 HG23 THR 7 2HG2 THR 7 5.184 5.441 -3.813 52 H GLY 8 H GLY 8 0.997 2.804 -3.957 53 HA2 GLY 8 2HA GLY 8 1.170 3.121 -6.563 54 HA3 GLY 8 1HA GLY 8 2.795 2.516 -6.256 55 H ARG 9 H ARG 9 1.796 0.858 -7.841 56 HA ARG 9 HA ARG 9 -0.095 -1.032 -6.866 57 HB2 ARG 9 2HB ARG 9 0.294 -0.735 -9.250 58 HB3 ARG 9 1HB ARG 9 1.960 -1.282 -9.059 59 HG2 ARG 9 2HG ARG 9 1.257 -3.474 -8.399 60 HG3 ARG 9 1HG ARG 9 -0.423 -2.958 -8.263 61 HD2 ARG 9 2HD ARG 9 -0.102 -4.170 -10.360 62 HD3 ARG 9 1HD ARG 9 -0.457 -2.476 -10.685 63 HE ARG 9 HE ARG 9 1.734 -2.204 -11.476 64 HH11 ARG 9 1HH2 ARG 9 1.243 -5.292 -9.995 65 HH12 ARG 9 2HH2 ARG 9 2.736 -5.957 -10.569 66 HH21 ARG 9 1HH1 ARG 9 3.692 -3.069 -12.232 67 HH22 ARG 9 2HH1 ARG 9 4.122 -4.699 -11.835 68 H CYS 10 H CYS 10 0.300 -3.219 -6.258 69 HA CYS 10 HA CYS 10 2.849 -3.545 -4.805 70 HB2 CYS 10 2HB CYS 10 0.063 -4.530 -4.367 71 HB3 CYS 10 1HB CYS 10 1.405 -5.498 -3.760 72 H ALA 11 H ALA 11 2.850 -6.263 -4.436 73 HA ALA 11 HA ALA 11 3.773 -7.166 -7.032 74 HB1 ALA 11 1HB ALA 11 4.361 -7.777 -4.324 75 HB2 ALA 11 2HB ALA 11 5.151 -8.402 -5.772 76 HB3 ALA 11 3HB ALA 11 3.776 -9.261 -5.075 77 H THR 12 H THR 12 3.091 -9.170 -8.007 78 HA THR 12 HA THR 12 0.307 -9.396 -8.310 79 HB THR 12 HB THR 12 2.331 -11.559 -8.910 80 HG1 THR 12 1HG THR 12 2.630 -9.234 -9.701 81 HG21 THR 12 3HG2 THR 12 -0.234 -10.798 -10.323 82 HG22 THR 12 1HG2 THR 12 -0.132 -12.060 -9.096 83 HG23 THR 12 2HG2 THR 12 0.761 -12.227 -10.608 84 H ARG 13 H ARG 13 2.595 -11.305 -6.405 85 HA ARG 13 HA ARG 13 0.844 -13.294 -5.503 86 HB2 ARG 13 2HB ARG 13 3.184 -12.042 -4.037 87 HB3 ARG 13 1HB ARG 13 2.428 -13.584 -3.640 88 HG2 ARG 13 2HG ARG 13 3.574 -13.018 -6.376 89 HG3 ARG 13 1HG ARG 13 4.549 -13.701 -5.077 90 HD2 ARG 13 2HD ARG 13 2.806 -15.515 -4.845 91 HD3 ARG 13 1HD ARG 13 2.050 -14.883 -6.299 92 HE ARG 13 HE ARG 13 4.822 -15.923 -6.247 93 HH11 ARG 13 1HH2 ARG 13 1.714 -15.477 -7.720 94 HH12 ARG 13 2HH2 ARG 13 2.122 -16.346 -9.155 95 HH21 ARG 13 1HH1 ARG 13 5.354 -17.065 -8.134 96 HH22 ARG 13 2HH1 ARG 13 4.178 -17.245 -9.392 97 H GLU 14 H GLU 14 1.285 -9.979 -4.476 98 HA GLU 14 HA GLU 14 -0.128 -10.182 -2.000 99 HB2 GLU 14 2HB GLU 14 -0.080 -7.634 -3.550 100 HB3 GLU 14 1HB GLU 14 0.170 -7.916 -1.828 101 HG2 GLU 14 2HG GLU 14 2.292 -9.239 -2.691 102 HG3 GLU 14 1HG GLU 14 2.102 -8.171 -4.072 103 H SER 15 H SER 15 -2.165 -8.787 -1.676 104 HA SER 15 HA SER 15 -4.052 -9.187 -3.915 105 HB2 SER 15 2HB SER 15 -5.746 -9.778 -2.079 106 HB3 SER 15 1HB SER 15 -4.554 -10.971 -2.525 107 HG SER 15 HG SER 15 -3.278 -10.023 -0.745 108 H LEU 16 H LEU 16 -5.224 -7.458 -4.353 109 HA LEU 16 HA LEU 16 -4.931 -5.065 -2.738 110 HB2 LEU 16 2HB LEU 16 -5.417 -5.573 -5.442 111 HB3 LEU 16 1HB LEU 16 -6.925 -4.881 -4.846 112 HG LEU 16 HG LEU 16 -5.399 -3.105 -5.608 113 HD11 LEU 16 1HD1 LEU 16 -6.511 -3.350 -2.949 114 HD12 LEU 16 2HD1 LEU 16 -6.414 -1.925 -3.980 115 HD13 LEU 16 3HD1 LEU 16 -5.071 -2.336 -2.913 116 HD21 LEU 16 3HD2 LEU 16 -3.441 -4.757 -4.439 117 HD22 LEU 16 1HD2 LEU 16 -3.475 -3.302 -3.441 118 HD23 LEU 16 2HD2 LEU 16 -3.183 -3.176 -5.177 119 H SER 17 H SER 17 -6.245 -4.439 -1.165 120 HA SER 17 HA SER 17 -8.846 -5.790 -0.879 121 HB2 SER 17 2HB SER 17 -8.741 -5.216 1.449 122 HB3 SER 17 1HB SER 17 -7.168 -5.868 1.006 123 HG SER 17 HG SER 17 -7.837 -3.411 1.915 124 H GLY 18 H GLY 18 -7.340 -2.573 -0.738 125 HA2 GLY 18 2HA GLY 18 -9.574 -1.301 -1.976 126 HA3 GLY 18 1HA GLY 18 -9.568 -1.008 -0.240 127 H VAL 19 H VAL 19 -9.359 1.225 -1.503 128 HA VAL 19 HA VAL 19 -6.532 1.846 -2.030 129 HB VAL 19 HB VAL 19 -7.757 2.862 -3.708 130 HG11 VAL 19 1HG1 VAL 19 -9.909 2.910 -1.636 131 HG12 VAL 19 2HG1 VAL 19 -9.981 2.380 -3.318 132 HG13 VAL 19 3HG1 VAL 19 -9.997 4.102 -2.934 133 HG21 VAL 19 3HG2 VAL 19 -8.182 5.033 -1.664 134 HG22 VAL 19 1HG2 VAL 19 -7.668 5.181 -3.346 135 HG23 VAL 19 2HG2 VAL 19 -6.550 4.558 -2.132 136 H CYS 20 H CYS 20 -5.341 2.496 -0.363 137 HA CYS 20 HA CYS 20 -6.490 3.436 2.101 138 HB2 CYS 20 2HB CYS 20 -3.687 3.115 1.072 139 HB3 CYS 20 1HB CYS 20 -4.011 3.852 2.643 140 H GLU 21 H GLU 21 -4.808 5.438 2.922 141 HA GLU 21 HA GLU 21 -4.762 7.595 0.987 142 HB2 GLU 21 2HB GLU 21 -7.133 7.587 1.717 143 HB3 GLU 21 1HB GLU 21 -6.598 7.790 3.386 144 HG2 GLU 21 2HG GLU 21 -5.490 9.903 2.786 145 HG3 GLU 21 1HG GLU 21 -6.000 9.701 1.111 146 H ILE 22 H ILE 22 -2.719 8.212 1.385 147 HA ILE 22 HA ILE 22 -1.997 8.812 4.195 148 HB ILE 22 HB ILE 22 0.021 8.011 2.119 149 HG12 ILE 22 2HG1 ILE 22 -1.760 6.239 2.304 150 HG13 ILE 22 1HG1 ILE 22 -0.166 5.698 2.836 151 HG21 ILE 22 1HG2 ILE 22 1.304 7.380 4.119 152 HG22 ILE 22 2HG2 ILE 22 -0.062 7.826 5.140 153 HG23 ILE 22 3HG2 ILE 22 0.790 9.064 4.219 154 HD11 ILE 22 3HD1 ILE 22 -2.380 6.691 4.645 155 HD12 ILE 22 1HD1 ILE 22 -0.789 6.153 5.172 156 HD13 ILE 22 2HD1 ILE 22 -1.908 5.008 4.431 157 H SER 23 H SER 23 -1.288 10.822 4.587 158 HA SER 23 HA SER 23 -0.769 13.033 4.230 159 HB2 SER 23 2HB SER 23 0.861 13.368 2.244 160 HB3 SER 23 1HB SER 23 1.385 12.366 3.593 161 HG SER 23 HG SER 23 1.113 11.704 1.028 162 H GLY 24 H GLY 24 -3.221 12.002 3.055 163 HA2 GLY 24 2HA GLY 24 -4.941 13.003 1.856 164 HA3 GLY 24 1HA GLY 24 -3.798 14.220 1.296 165 H ARG 25 H ARG 25 -2.093 11.661 0.599 166 HA ARG 25 HA ARG 25 -3.063 11.520 -2.146 167 HB2 ARG 25 2HB ARG 25 -0.666 11.915 -1.746 168 HB3 ARG 25 1HB ARG 25 -0.568 10.382 -0.894 169 HG2 ARG 25 2HG ARG 25 0.078 9.674 -2.999 170 HG3 ARG 25 1HG ARG 25 -1.664 9.472 -3.157 171 HD2 ARG 25 2HD ARG 25 -1.143 10.703 -5.071 172 HD3 ARG 25 1HD ARG 25 -1.634 11.961 -3.939 173 HE ARG 25 HE ARG 25 0.626 12.633 -3.759 174 HH11 ARG 25 1HH2 ARG 25 0.171 9.835 -5.745 175 HH12 ARG 25 2HH2 ARG 25 1.751 9.910 -6.451 176 HH21 ARG 25 1HH1 ARG 25 2.700 12.735 -4.680 177 HH22 ARG 25 2HH1 ARG 25 3.182 11.551 -5.848 178 H LEU 26 H LEU 26 -3.776 9.683 -3.151 179 HA LEU 26 HA LEU 26 -4.969 7.686 -1.498 180 HB2 LEU 26 2HB LEU 26 -4.645 7.965 -4.488 181 HB3 LEU 26 1HB LEU 26 -5.478 6.600 -3.742 182 HG LEU 26 HG LEU 26 -6.204 9.492 -3.207 183 HD11 LEU 26 1HD1 LEU 26 -6.647 7.973 -5.569 184 HD12 LEU 26 2HD1 LEU 26 -7.350 9.533 -5.145 185 HD13 LEU 26 3HD1 LEU 26 -8.185 8.043 -4.711 186 HD21 LEU 26 3HD2 LEU 26 -7.406 8.529 -1.555 187 HD22 LEU 26 1HD2 LEU 26 -6.989 6.913 -2.120 188 HD23 LEU 26 2HD2 LEU 26 -8.377 7.756 -2.808 189 H TYR 27 H TYR 27 -4.271 5.722 -0.927 190 HA TYR 27 HA TYR 27 -1.734 4.744 -2.090 191 HB2 TYR 27 2HB TYR 27 -2.617 4.960 0.732 192 HB3 TYR 27 1HB TYR 27 -1.666 3.558 0.258 193 HD1 TYR 27 2HD TYR 27 -1.668 7.234 -0.472 194 HD2 TYR 27 1HD TYR 27 0.620 3.748 0.550 195 HE1 TYR 27 2HE TYR 27 0.406 8.590 -0.428 196 HE2 TYR 27 1HE TYR 27 2.689 5.114 0.587 197 HH TYR 27 HH TYR 27 3.492 7.227 0.601 198 H ARG 28 H ARG 28 -1.525 2.504 -2.394 199 HA ARG 28 HA ARG 28 -4.101 1.124 -2.695 200 HB2 ARG 28 2HB ARG 28 -1.320 0.413 -3.678 201 HB3 ARG 28 1HB ARG 28 -2.788 -0.496 -4.037 202 HG2 ARG 28 2HG ARG 28 -2.573 2.446 -4.660 203 HG3 ARG 28 1HG ARG 28 -2.009 1.222 -5.798 204 HD2 ARG 28 2HD ARG 28 -4.278 0.159 -5.681 205 HD3 ARG 28 1HD ARG 28 -4.815 1.506 -4.686 206 HE ARG 28 HE ARG 28 -4.105 1.638 -7.535 207 HH11 ARG 28 1HH2 ARG 28 -5.206 3.127 -4.610 208 HH12 ARG 28 2HH2 ARG 28 -5.833 4.533 -5.402 209 HH21 ARG 28 1HH1 ARG 28 -4.924 3.479 -8.576 210 HH22 ARG 28 2HH1 ARG 28 -5.672 4.734 -7.647 211 H LEU 29 H LEU 29 -4.684 -0.621 -1.529 212 HA LEU 29 HA LEU 29 -2.843 -1.470 0.605 213 HB2 LEU 29 2HB LEU 29 -4.973 -0.622 1.410 214 HB3 LEU 29 1HB LEU 29 -5.850 -1.721 0.350 215 HG LEU 29 HG LEU 29 -4.947 -3.659 1.542 216 HD11 LEU 29 1HD1 LEU 29 -3.227 -1.537 2.745 217 HD12 LEU 29 2HD1 LEU 29 -2.839 -3.211 2.347 218 HD13 LEU 29 3HD1 LEU 29 -3.739 -2.842 3.816 219 HD21 LEU 29 3HD2 LEU 29 -6.863 -1.977 2.487 220 HD22 LEU 29 1HD2 LEU 29 -5.740 -1.957 3.847 221 HD23 LEU 29 2HD2 LEU 29 -6.420 -3.485 3.286 222 H CYS 30 H CYS 30 -1.711 -3.225 0.094 223 HA CYS 30 HA CYS 30 -3.100 -5.400 -1.334 224 HB2 CYS 30 2HB CYS 30 -0.868 -6.089 -2.146 225 HB3 CYS 30 1HB CYS 30 -1.337 -4.499 -2.713 226 H CYS 31 H CYS 31 -2.958 -7.502 -0.511 227 HA CYS 31 HA CYS 31 -1.560 -7.723 2.082 228 HB2 CYS 31 2HB CYS 31 -4.042 -9.202 1.230 229 HB3 CYS 31 1HB CYS 31 -3.300 -9.212 2.811 230 H ARG 32 H ARG 32 -0.278 -9.483 2.415 231 HA ARG 32 HA ARG 32 -0.271 -11.644 0.438 232 HB2 ARG 32 2HB ARG 32 2.105 -11.466 0.030 233 HB3 ARG 32 1HB ARG 32 1.333 -9.931 -0.373 234 HG2 ARG 32 2HG ARG 32 1.884 -9.428 2.199 235 HG3 ARG 32 1HG ARG 32 3.160 -10.604 1.888 236 HD2 ARG 32 2HD ARG 32 2.644 -8.241 0.088 237 HD3 ARG 32 1HD ARG 32 3.769 -8.174 1.441 238 HE ARG 32 HE ARG 32 4.354 -10.412 -0.219 239 HH11 ARG 32 1HH2 ARG 32 4.537 -6.959 -0.057 240 HH12 ARG 32 2HH2 ARG 32 5.918 -6.845 -1.095 241 HH21 ARG 32 1HH1 ARG 32 6.165 -10.270 -1.581 242 HH22 ARG 32 2HH1 ARG 32 6.840 -8.720 -1.958 Start of MODEL 19 1 H1 ALA 1 1HT ALA 1 -2.326 -14.250 5.359 2 H2 ALA 1 2HT ALA 1 -3.380 -12.938 5.590 3 H3 ALA 1 3HT ALA 1 -2.138 -13.240 6.709 4 HA ALA 1 HA ALA 1 -0.542 -12.904 4.776 5 HB1 ALA 1 2HB ALA 1 -2.068 -12.970 2.937 6 HB2 ALA 1 3HB ALA 1 -1.572 -11.285 3.089 7 HB3 ALA 1 1HB ALA 1 -3.144 -11.799 3.700 8 H THR 2 H THR 2 -0.088 -10.398 4.216 9 HA THR 2 HA THR 2 -0.650 -8.886 6.694 10 HB THR 2 HB THR 2 1.834 -8.793 4.962 11 HG1 THR 2 1HG THR 2 1.359 -10.655 6.451 12 HG21 THR 2 3HG2 THR 2 1.466 -7.563 7.687 13 HG22 THR 2 1HG2 THR 2 1.038 -6.677 6.223 14 HG23 THR 2 2HG2 THR 2 2.700 -7.210 6.477 15 H CYS 3 H CYS 3 -2.081 -7.392 6.234 16 HA CYS 3 HA CYS 3 -2.221 -6.155 3.611 17 HB2 CYS 3 2HB CYS 3 -3.857 -5.828 6.134 18 HB3 CYS 3 1HB CYS 3 -4.159 -4.942 4.645 19 H TYR 4 H TYR 4 -1.542 -4.146 3.095 20 HA TYR 4 HA TYR 4 -1.048 -2.105 5.051 21 HB2 TYR 4 2HB TYR 4 1.385 -1.920 4.657 22 HB3 TYR 4 1HB TYR 4 0.958 -3.446 5.432 23 HD1 TYR 4 1HD TYR 4 1.892 -1.858 2.211 24 HD2 TYR 4 2HD TYR 4 1.258 -5.550 4.314 25 HE1 TYR 4 1HE TYR 4 2.932 -3.106 0.337 26 HE2 TYR 4 2HE TYR 4 2.298 -6.797 2.440 27 HH TYR 4 HH TYR 4 3.941 -5.167 -0.162 28 H CYS 5 H CYS 5 -0.483 -0.068 4.086 29 HA CYS 5 HA CYS 5 -1.325 0.085 1.293 30 HB2 CYS 5 2HB CYS 5 -0.591 2.464 2.966 31 HB3 CYS 5 1HB CYS 5 -1.751 2.330 1.674 32 H ARG 6 H ARG 6 -0.088 1.018 -0.343 33 HA ARG 6 HA ARG 6 2.722 1.637 0.277 34 HB2 ARG 6 2HB ARG 6 3.490 0.283 -1.616 35 HB3 ARG 6 1HB ARG 6 2.636 -0.725 -0.446 36 HG2 ARG 6 2HG ARG 6 0.884 -1.115 -1.849 37 HG3 ARG 6 1HG ARG 6 0.975 0.479 -2.592 38 HD2 ARG 6 2HD ARG 6 1.643 -1.409 -4.116 39 HD3 ARG 6 1HD ARG 6 2.867 -0.160 -3.929 40 HE ARG 6 HE ARG 6 3.052 -2.513 -2.183 41 HH11 ARG 6 1HH2 ARG 6 4.128 -0.704 -4.928 42 HH12 ARG 6 2HH2 ARG 6 5.651 -1.523 -5.045 43 HH21 ARG 6 1HH1 ARG 6 5.044 -3.593 -2.329 44 HH22 ARG 6 2HH1 ARG 6 6.169 -3.158 -3.571 45 H THR 7 H THR 7 3.789 2.899 -1.373 46 HA THR 7 HA THR 7 1.973 4.764 -2.655 47 HB THR 7 HB THR 7 4.113 5.423 -1.467 48 HG1 THR 7 1HG THR 7 4.707 6.824 -3.350 49 HG21 THR 7 3HG2 THR 7 5.690 4.932 -3.897 50 HG22 THR 7 1HG2 THR 7 5.231 3.461 -3.038 51 HG23 THR 7 2HG2 THR 7 6.137 4.725 -2.204 52 H GLY 8 H GLY 8 1.129 2.943 -4.060 53 HA2 GLY 8 2HA GLY 8 1.241 3.093 -6.614 54 HA3 GLY 8 1HA GLY 8 2.872 2.465 -6.398 55 H ARG 9 H ARG 9 1.587 0.886 -7.954 56 HA ARG 9 HA ARG 9 -0.223 -0.983 -6.871 57 HB2 ARG 9 2HB ARG 9 0.161 -0.641 -9.291 58 HB3 ARG 9 1HB ARG 9 1.751 -1.389 -9.118 59 HG2 ARG 9 2HG ARG 9 0.773 -3.464 -8.387 60 HG3 ARG 9 1HG ARG 9 -0.830 -2.731 -8.305 61 HD2 ARG 9 2HD ARG 9 -0.669 -3.998 -10.365 62 HD3 ARG 9 1HD ARG 9 -0.702 -2.279 -10.747 63 HE ARG 9 HE ARG 9 1.985 -3.206 -10.489 64 HH11 ARG 9 1HH2 ARG 9 -0.792 -3.236 -12.562 65 HH12 ARG 9 2HH2 ARG 9 0.129 -3.419 -14.018 66 HH21 ARG 9 1HH1 ARG 9 3.192 -3.448 -12.397 67 HH22 ARG 9 2HH1 ARG 9 2.382 -3.539 -13.923 68 H CYS 10 H CYS 10 0.169 -3.215 -6.330 69 HA CYS 10 HA CYS 10 2.744 -3.567 -4.936 70 HB2 CYS 10 2HB CYS 10 -0.037 -4.547 -4.442 71 HB3 CYS 10 1HB CYS 10 1.314 -5.533 -3.888 72 H ALA 11 H ALA 11 2.839 -6.248 -4.620 73 HA ALA 11 HA ALA 11 3.612 -7.119 -7.279 74 HB1 ALA 11 1HB ALA 11 3.794 -9.132 -5.184 75 HB2 ALA 11 2HB ALA 11 4.561 -7.613 -4.716 76 HB3 ALA 11 3HB ALA 11 5.066 -8.439 -6.190 77 H THR 12 H THR 12 3.038 -9.310 -8.042 78 HA THR 12 HA THR 12 0.253 -9.604 -8.301 79 HB THR 12 HB THR 12 2.466 -11.603 -8.813 80 HG1 THR 12 1HG THR 12 1.015 -10.072 -10.680 81 HG21 THR 12 3HG2 THR 12 0.407 -12.814 -8.644 82 HG22 THR 12 1HG2 THR 12 0.720 -12.593 -10.365 83 HG23 THR 12 2HG2 THR 12 -0.466 -11.576 -9.547 84 H ARG 13 H ARG 13 2.605 -11.298 -6.274 85 HA ARG 13 HA ARG 13 0.908 -13.245 -5.190 86 HB2 ARG 13 2HB ARG 13 3.213 -11.827 -3.827 87 HB3 ARG 13 1HB ARG 13 2.534 -13.388 -3.371 88 HG2 ARG 13 2HG ARG 13 3.657 -12.864 -6.128 89 HG3 ARG 13 1HG ARG 13 4.658 -13.454 -4.804 90 HD2 ARG 13 2HD ARG 13 3.101 -15.381 -4.532 91 HD3 ARG 13 1HD ARG 13 2.192 -14.813 -5.928 92 HE ARG 13 HE ARG 13 4.894 -15.961 -5.975 93 HH11 ARG 13 1HH2 ARG 13 2.177 -14.547 -7.594 94 HH12 ARG 13 2HH2 ARG 13 2.664 -15.085 -9.167 95 HH21 ARG 13 1HH1 ARG 13 5.534 -16.663 -8.034 96 HH22 ARG 13 2HH1 ARG 13 4.564 -16.281 -9.416 97 H GLU 14 H GLU 14 1.270 -9.841 -4.479 98 HA GLU 14 HA GLU 14 -0.099 -9.904 -1.964 99 HB2 GLU 14 2HB GLU 14 -0.071 -7.427 -3.625 100 HB3 GLU 14 1HB GLU 14 0.240 -7.640 -1.901 101 HG2 GLU 14 2HG GLU 14 2.320 -9.029 -2.841 102 HG3 GLU 14 1HG GLU 14 2.099 -7.932 -4.200 103 H SER 15 H SER 15 -2.163 -8.698 -1.609 104 HA SER 15 HA SER 15 -4.044 -9.070 -3.859 105 HB2 SER 15 2HB SER 15 -5.699 -9.693 -1.979 106 HB3 SER 15 1HB SER 15 -4.548 -10.884 -2.533 107 HG SER 15 HG SER 15 -4.716 -10.589 -0.194 108 H LEU 16 H LEU 16 -5.175 -7.353 -4.301 109 HA LEU 16 HA LEU 16 -4.987 -4.977 -2.691 110 HB2 LEU 16 2HB LEU 16 -5.471 -5.473 -5.364 111 HB3 LEU 16 1HB LEU 16 -7.045 -4.947 -4.768 112 HG LEU 16 HG LEU 16 -5.732 -3.010 -5.504 113 HD11 LEU 16 1HD1 LEU 16 -5.471 -2.522 -2.641 114 HD12 LEU 16 2HD1 LEU 16 -6.998 -3.312 -3.036 115 HD13 LEU 16 3HD1 LEU 16 -6.569 -1.783 -3.804 116 HD21 LEU 16 3HD2 LEU 16 -3.513 -2.870 -5.126 117 HD22 LEU 16 1HD2 LEU 16 -3.591 -4.460 -4.369 118 HD23 LEU 16 2HD2 LEU 16 -3.758 -3.006 -3.386 119 H SER 17 H SER 17 -6.333 -4.253 -1.183 120 HA SER 17 HA SER 17 -8.904 -5.669 -0.821 121 HB2 SER 17 2HB SER 17 -8.712 -5.231 1.532 122 HB3 SER 17 1HB SER 17 -7.183 -5.915 0.994 123 HG SER 17 HG SER 17 -7.018 -4.003 2.332 124 H GLY 18 H GLY 18 -7.377 -2.619 -1.350 125 HA2 GLY 18 2HA GLY 18 -9.608 -1.218 -2.138 126 HA3 GLY 18 1HA GLY 18 -9.514 -0.958 -0.397 127 H VAL 19 H VAL 19 -9.302 1.294 -1.627 128 HA VAL 19 HA VAL 19 -6.483 1.862 -2.255 129 HB VAL 19 HB VAL 19 -8.076 2.771 -3.833 130 HG11 VAL 19 1HG1 VAL 19 -9.722 3.008 -1.560 131 HG12 VAL 19 2HG1 VAL 19 -10.130 3.462 -3.215 132 HG13 VAL 19 3HG1 VAL 19 -9.448 4.659 -2.114 133 HG21 VAL 19 3HG2 VAL 19 -6.148 4.243 -2.604 134 HG22 VAL 19 1HG2 VAL 19 -7.561 5.247 -2.280 135 HG23 VAL 19 2HG2 VAL 19 -7.125 4.848 -3.943 136 H CYS 20 H CYS 20 -5.235 2.416 -0.602 137 HA CYS 20 HA CYS 20 -6.233 3.303 1.937 138 HB2 CYS 20 2HB CYS 20 -3.578 2.794 0.696 139 HB3 CYS 20 1HB CYS 20 -3.639 3.772 2.164 140 H GLU 21 H GLU 21 -5.055 5.289 2.938 141 HA GLU 21 HA GLU 21 -4.856 7.524 1.044 142 HB2 GLU 21 2HB GLU 21 -6.302 8.880 2.659 143 HB3 GLU 21 1HB GLU 21 -7.147 7.693 1.664 144 HG2 GLU 21 2HG GLU 21 -7.000 6.064 3.550 145 HG3 GLU 21 1HG GLU 21 -6.274 7.326 4.544 146 H ILE 22 H ILE 22 -2.830 8.175 1.424 147 HA ILE 22 HA ILE 22 -2.039 8.646 4.234 148 HB ILE 22 HB ILE 22 -0.314 7.602 1.978 149 HG12 ILE 22 2HG1 ILE 22 -0.844 6.269 4.633 150 HG13 ILE 22 1HG1 ILE 22 -1.979 6.065 3.298 151 HG21 ILE 22 1HG2 ILE 22 1.258 7.390 4.109 152 HG22 ILE 22 2HG2 ILE 22 0.273 8.732 4.690 153 HG23 ILE 22 3HG2 ILE 22 1.186 8.893 3.190 154 HD11 ILE 22 3HD1 ILE 22 0.352 4.593 3.714 155 HD12 ILE 22 1HD1 ILE 22 0.777 5.721 2.426 156 HD13 ILE 22 2HD1 ILE 22 -0.604 4.638 2.232 157 H SER 23 H SER 23 -1.243 10.628 4.675 158 HA SER 23 HA SER 23 -0.678 12.838 4.373 159 HB2 SER 23 2HB SER 23 0.766 13.150 2.176 160 HB3 SER 23 1HB SER 23 1.417 12.305 3.576 161 HG SER 23 HG SER 23 0.453 11.294 1.143 162 H GLY 24 H GLY 24 -3.168 11.703 3.110 163 HA2 GLY 24 2HA GLY 24 -4.956 12.894 2.151 164 HA3 GLY 24 1HA GLY 24 -3.805 14.063 1.507 165 H ARG 25 H ARG 25 -2.165 11.636 0.605 166 HA ARG 25 HA ARG 25 -3.407 11.429 -2.017 167 HB2 ARG 25 2HB ARG 25 -1.081 11.834 -2.124 168 HB3 ARG 25 1HB ARG 25 -0.729 10.615 -0.903 169 HG2 ARG 25 2HG ARG 25 -1.421 8.833 -2.429 170 HG3 ARG 25 1HG ARG 25 -1.903 10.024 -3.637 171 HD2 ARG 25 2HD ARG 25 0.412 10.796 -3.835 172 HD3 ARG 25 1HD ARG 25 0.914 9.676 -2.571 173 HE ARG 25 HE ARG 25 0.813 7.943 -4.127 174 HH11 ARG 25 1HH2 ARG 25 -0.730 10.804 -5.311 175 HH12 ARG 25 2HH2 ARG 25 -0.904 10.207 -6.928 176 HH21 ARG 25 1HH1 ARG 25 0.589 7.152 -6.243 177 HH22 ARG 25 2HH1 ARG 25 -0.157 8.139 -7.455 178 H LEU 26 H LEU 26 -4.152 9.569 -2.963 179 HA LEU 26 HA LEU 26 -5.067 7.509 -1.176 180 HB2 LEU 26 2HB LEU 26 -5.365 8.116 -4.089 181 HB3 LEU 26 1HB LEU 26 -5.720 6.483 -3.526 182 HG LEU 26 HG LEU 26 -7.276 7.425 -1.833 183 HD11 LEU 26 1HD1 LEU 26 -6.718 10.054 -3.244 184 HD12 LEU 26 2HD1 LEU 26 -6.159 9.636 -1.624 185 HD13 LEU 26 3HD1 LEU 26 -7.886 9.798 -1.947 186 HD21 LEU 26 3HD2 LEU 26 -8.952 8.356 -3.559 187 HD22 LEU 26 1HD2 LEU 26 -8.327 6.732 -3.850 188 HD23 LEU 26 2HD2 LEU 26 -7.678 8.103 -4.752 189 H TYR 27 H TYR 27 -4.192 5.589 -0.768 190 HA TYR 27 HA TYR 27 -1.792 4.772 -2.291 191 HB2 TYR 27 2HB TYR 27 -2.448 4.668 0.608 192 HB3 TYR 27 1HB TYR 27 -1.419 3.418 -0.088 193 HD1 TYR 27 1HD TYR 27 -1.795 7.121 -0.603 194 HD2 TYR 27 2HD TYR 27 0.824 3.826 0.238 195 HE1 TYR 27 1HE TYR 27 0.146 8.666 -0.570 196 HE2 TYR 27 2HE TYR 27 2.762 5.370 0.264 197 HH TYR 27 HH TYR 27 2.333 8.858 -0.353 198 H ARG 28 H ARG 28 -1.423 2.402 -2.351 199 HA ARG 28 HA ARG 28 -3.986 1.041 -2.857 200 HB2 ARG 28 2HB ARG 28 -1.161 0.691 -3.815 201 HB3 ARG 28 1HB ARG 28 -2.247 -0.697 -3.839 202 HG2 ARG 28 2HG ARG 28 -2.459 0.360 -5.977 203 HG3 ARG 28 1HG ARG 28 -3.913 0.784 -5.072 204 HD2 ARG 28 2HD ARG 28 -2.930 2.944 -4.462 205 HD3 ARG 28 1HD ARG 28 -1.438 2.520 -5.296 206 HE ARG 28 HE ARG 28 -3.254 2.279 -7.271 207 HH11 ARG 28 1HH2 ARG 28 -2.712 4.702 -4.860 208 HH12 ARG 28 2HH2 ARG 28 -3.291 6.005 -5.843 209 HH21 ARG 28 1HH1 ARG 28 -4.013 3.981 -8.564 210 HH22 ARG 28 2HH1 ARG 28 -4.028 5.597 -7.942 211 H LEU 29 H LEU 29 -4.702 -0.529 -1.536 212 HA LEU 29 HA LEU 29 -2.946 -1.407 0.654 213 HB2 LEU 29 2HB LEU 29 -5.142 -0.473 1.263 214 HB3 LEU 29 1HB LEU 29 -5.937 -1.714 0.296 215 HG LEU 29 HG LEU 29 -5.033 -3.482 1.725 216 HD11 LEU 29 1HD1 LEU 29 -3.462 -1.165 2.825 217 HD12 LEU 29 2HD1 LEU 29 -2.917 -2.792 2.425 218 HD13 LEU 29 3HD1 LEU 29 -3.855 -2.514 3.892 219 HD21 LEU 29 3HD2 LEU 29 -7.069 -1.949 2.410 220 HD22 LEU 29 1HD2 LEU 29 -5.974 -1.375 3.668 221 HD23 LEU 29 2HD2 LEU 29 -6.405 -3.082 3.588 222 H CYS 30 H CYS 30 -1.753 -3.107 -0.034 223 HA CYS 30 HA CYS 30 -3.214 -5.315 -1.328 224 HB2 CYS 30 2HB CYS 30 -1.066 -6.025 -2.258 225 HB3 CYS 30 1HB CYS 30 -1.447 -4.392 -2.747 226 H CYS 31 H CYS 31 -2.907 -7.466 -0.538 227 HA CYS 31 HA CYS 31 -1.522 -7.567 2.076 228 HB2 CYS 31 2HB CYS 31 -3.987 -9.107 1.263 229 HB3 CYS 31 1HB CYS 31 -3.228 -9.099 2.839 230 H ARG 32 H ARG 32 -0.271 -9.371 2.497 231 HA ARG 32 HA ARG 32 -0.189 -11.550 0.556 232 HB2 ARG 32 2HB ARG 32 2.211 -11.312 0.172 233 HB3 ARG 32 1HB ARG 32 1.348 -9.871 -0.358 234 HG2 ARG 32 2HG ARG 32 1.823 -9.011 2.064 235 HG3 ARG 32 1HG ARG 32 3.092 -10.240 2.054 236 HD2 ARG 32 2HD ARG 32 2.752 -8.215 -0.155 237 HD3 ARG 32 1HD ARG 32 3.790 -7.930 1.240 238 HE ARG 32 HE ARG 32 4.460 -10.422 0.066 239 HH11 ARG 32 1HH2 ARG 32 4.606 -7.007 -0.505 240 HH12 ARG 32 2HH2 ARG 32 6.021 -7.095 -1.500 241 HH21 ARG 32 1HH1 ARG 32 6.318 -10.539 -1.240 242 HH22 ARG 32 2HH1 ARG 32 6.988 -9.093 -1.916 Start of MODEL 20 1 H1 ALA 1 1HT ALA 1 -2.534 -12.799 6.577 2 H2 ALA 1 2HT ALA 1 -2.126 -14.139 5.617 3 H3 ALA 1 3HT ALA 1 -3.485 -13.198 5.230 4 HA ALA 1 HA ALA 1 -0.744 -12.816 4.522 5 HB1 ALA 1 2HB ALA 1 -2.320 -12.829 2.774 6 HB2 ALA 1 3HB ALA 1 -1.982 -11.112 2.991 7 HB3 ALA 1 1HB ALA 1 -3.454 -11.814 3.665 8 H THR 2 H THR 2 -0.136 -10.407 4.032 9 HA THR 2 HA THR 2 -0.596 -8.840 6.492 10 HB THR 2 HB THR 2 1.837 -9.004 4.695 11 HG1 THR 2 1HG THR 2 2.263 -9.345 7.306 12 HG21 THR 2 3HG2 THR 2 2.129 -6.843 5.309 13 HG22 THR 2 1HG2 THR 2 2.562 -7.519 6.880 14 HG23 THR 2 2HG2 THR 2 0.919 -6.947 6.587 15 H CYS 3 H CYS 3 -2.005 -7.308 6.047 16 HA CYS 3 HA CYS 3 -2.133 -6.062 3.427 17 HB2 CYS 3 2HB CYS 3 -3.760 -5.642 5.948 18 HB3 CYS 3 1HB CYS 3 -4.052 -4.829 4.415 19 H TYR 4 H TYR 4 -1.463 -4.030 2.930 20 HA TYR 4 HA TYR 4 -0.858 -2.054 4.928 21 HB2 TYR 4 2HB TYR 4 1.544 -1.903 4.512 22 HB3 TYR 4 1HB TYR 4 1.137 -3.506 5.122 23 HD1 TYR 4 1HD TYR 4 2.155 -1.563 2.164 24 HD2 TYR 4 2HD TYR 4 1.221 -5.473 3.680 25 HE1 TYR 4 1HE TYR 4 3.142 -2.590 0.133 26 HE2 TYR 4 2HE TYR 4 2.204 -6.496 1.647 27 HH TYR 4 HH TYR 4 3.134 -4.578 -1.108 28 H CYS 5 H CYS 5 -0.357 0.009 4.005 29 HA CYS 5 HA CYS 5 -1.311 0.258 1.260 30 HB2 CYS 5 2HB CYS 5 -0.479 2.546 3.018 31 HB3 CYS 5 1HB CYS 5 -1.670 2.502 1.743 32 H ARG 6 H ARG 6 -0.120 1.114 -0.423 33 HA ARG 6 HA ARG 6 2.689 1.819 0.083 34 HB2 ARG 6 2HB ARG 6 3.459 0.406 -1.750 35 HB3 ARG 6 1HB ARG 6 2.614 -0.582 -0.559 36 HG2 ARG 6 2HG ARG 6 0.821 -0.975 -1.935 37 HG3 ARG 6 1HG ARG 6 0.989 0.557 -2.792 38 HD2 ARG 6 2HD ARG 6 3.020 -1.658 -3.042 39 HD3 ARG 6 1HD ARG 6 1.612 -1.543 -4.094 40 HE ARG 6 HE ARG 6 2.565 0.850 -4.512 41 HH11 ARG 6 1HH2 ARG 6 4.350 -2.067 -3.958 42 HH12 ARG 6 2HH2 ARG 6 5.727 -1.559 -4.876 43 HH21 ARG 6 1HH1 ARG 6 4.370 1.516 -5.720 44 HH22 ARG 6 2HH1 ARG 6 5.739 0.465 -5.874 45 H THR 7 H THR 7 3.648 3.088 -1.603 46 HA THR 7 HA THR 7 1.727 4.809 -2.931 47 HB THR 7 HB THR 7 3.425 6.161 -2.235 48 HG1 THR 7 1HG THR 7 3.617 5.509 -4.762 49 HG21 THR 7 3HG2 THR 7 4.689 4.473 -1.086 50 HG22 THR 7 1HG2 THR 7 5.818 5.351 -2.116 51 HG23 THR 7 2HG2 THR 7 5.233 3.763 -2.607 52 H GLY 8 H GLY 8 1.055 2.733 -4.179 53 HA2 GLY 8 2HA GLY 8 1.149 2.877 -6.787 54 HA3 GLY 8 1HA GLY 8 2.776 2.262 -6.516 55 H ARG 9 H ARG 9 1.770 0.529 -7.945 56 HA ARG 9 HA ARG 9 -0.103 -1.287 -6.758 57 HB2 ARG 9 2HB ARG 9 1.502 -1.194 -9.248 58 HB3 ARG 9 1HB ARG 9 0.994 -2.788 -8.688 59 HG2 ARG 9 2HG ARG 9 -1.359 -1.734 -8.437 60 HG3 ARG 9 1HG ARG 9 -0.728 -0.423 -9.436 61 HD2 ARG 9 2HD ARG 9 -0.081 -2.091 -11.155 62 HD3 ARG 9 1HD ARG 9 -0.791 -3.354 -10.154 63 HE ARG 9 HE ARG 9 -2.235 -1.386 -11.740 64 HH11 ARG 9 1HH2 ARG 9 -2.279 -3.701 -9.169 65 HH12 ARG 9 2HH2 ARG 9 -3.992 -3.945 -9.233 66 HH21 ARG 9 1HH1 ARG 9 -4.484 -1.700 -11.830 67 HH22 ARG 9 2HH1 ARG 9 -5.240 -2.812 -10.738 68 H CYS 10 H CYS 10 0.330 -3.499 -6.199 69 HA CYS 10 HA CYS 10 2.955 -3.772 -4.865 70 HB2 CYS 10 2HB CYS 10 0.214 -4.801 -4.274 71 HB3 CYS 10 1HB CYS 10 1.609 -5.717 -3.705 72 H ALA 11 H ALA 11 2.926 -6.518 -4.448 73 HA ALA 11 HA ALA 11 3.779 -7.435 -7.066 74 HB1 ALA 11 1HB ALA 11 4.542 -7.964 -4.418 75 HB2 ALA 11 2HB ALA 11 5.178 -8.721 -5.878 76 HB3 ALA 11 3HB ALA 11 3.836 -9.469 -5.012 77 H THR 12 H THR 12 3.143 -9.585 -7.867 78 HA THR 12 HA THR 12 0.361 -9.803 -8.197 79 HB THR 12 HB THR 12 2.416 -11.985 -8.605 80 HG1 THR 12 1HG THR 12 1.483 -10.089 -10.481 81 HG21 THR 12 3HG2 THR 12 0.116 -12.774 -8.727 82 HG22 THR 12 1HG2 THR 12 0.800 -12.715 -10.352 83 HG23 THR 12 2HG2 THR 12 -0.310 -11.452 -9.815 84 H ARG 13 H ARG 13 2.597 -11.577 -6.107 85 HA ARG 13 HA ARG 13 0.794 -13.456 -5.080 86 HB2 ARG 13 2HB ARG 13 3.198 -12.143 -3.789 87 HB3 ARG 13 1HB ARG 13 2.348 -13.533 -3.115 88 HG2 ARG 13 2HG ARG 13 3.430 -13.553 -5.934 89 HG3 ARG 13 1HG ARG 13 4.430 -14.019 -4.558 90 HD2 ARG 13 2HD ARG 13 2.623 -15.669 -3.920 91 HD3 ARG 13 1HD ARG 13 1.830 -15.298 -5.446 92 HE ARG 13 HE ARG 13 3.558 -16.415 -6.586 93 HH11 ARG 13 1HH2 ARG 13 4.097 -16.180 -3.176 94 HH12 ARG 13 2HH2 ARG 13 5.369 -17.356 -3.156 95 HH21 ARG 13 1HH1 ARG 13 5.225 -17.957 -6.569 96 HH22 ARG 13 2HH1 ARG 13 6.007 -18.362 -5.077 97 H GLU 14 H GLU 14 1.268 -10.080 -4.330 98 HA GLU 14 HA GLU 14 -0.190 -10.090 -1.863 99 HB2 GLU 14 2HB GLU 14 -0.015 -7.628 -3.529 100 HB3 GLU 14 1HB GLU 14 0.225 -7.843 -1.795 101 HG2 GLU 14 2HG GLU 14 2.278 -9.327 -2.699 102 HG3 GLU 14 1HG GLU 14 2.149 -8.175 -4.026 103 H SER 15 H SER 15 -2.192 -8.674 -1.638 104 HA SER 15 HA SER 15 -4.009 -8.977 -3.940 105 HB2 SER 15 2HB SER 15 -5.768 -9.582 -2.137 106 HB3 SER 15 1HB SER 15 -4.645 -10.801 -2.705 107 HG SER 15 HG SER 15 -5.018 -10.078 -0.248 108 H LEU 16 H LEU 16 -5.210 -7.250 -4.317 109 HA LEU 16 HA LEU 16 -4.901 -4.913 -2.645 110 HB2 LEU 16 2HB LEU 16 -5.620 -5.425 -5.358 111 HB3 LEU 16 1HB LEU 16 -6.920 -4.495 -4.615 112 HG LEU 16 HG LEU 16 -5.115 -3.063 -5.612 113 HD11 LEU 16 1HD1 LEU 16 -4.709 -2.318 -2.857 114 HD12 LEU 16 2HD1 LEU 16 -6.368 -2.877 -3.073 115 HD13 LEU 16 3HD1 LEU 16 -5.746 -1.556 -4.064 116 HD21 LEU 16 3HD2 LEU 16 -3.288 -3.563 -3.357 117 HD22 LEU 16 1HD2 LEU 16 -2.922 -3.327 -5.067 118 HD23 LEU 16 2HD2 LEU 16 -3.414 -4.917 -4.482 119 H SER 17 H SER 17 -6.170 -4.306 -1.032 120 HA SER 17 HA SER 17 -8.771 -5.656 -0.723 121 HB2 SER 17 2HB SER 17 -8.583 -5.223 1.622 122 HB3 SER 17 1HB SER 17 -7.016 -5.825 1.096 123 HG SER 17 HG SER 17 -7.757 -3.346 2.030 124 H GLY 18 H GLY 18 -7.269 -2.583 -1.238 125 HA2 GLY 18 2HA GLY 18 -9.516 -1.220 -2.066 126 HA3 GLY 18 1HA GLY 18 -9.434 -0.947 -0.328 127 H VAL 19 H VAL 19 -9.242 1.304 -1.570 128 HA VAL 19 HA VAL 19 -6.431 1.893 -2.210 129 HB VAL 19 HB VAL 19 -8.470 2.696 -3.602 130 HG11 VAL 19 1HG1 VAL 19 -9.594 3.524 -1.414 131 HG12 VAL 19 2HG1 VAL 19 -9.675 4.573 -2.829 132 HG13 VAL 19 3HG1 VAL 19 -8.508 4.905 -1.549 133 HG21 VAL 19 3HG2 VAL 19 -6.269 3.537 -4.065 134 HG22 VAL 19 1HG2 VAL 19 -6.273 4.521 -2.602 135 HG23 VAL 19 2HG2 VAL 19 -7.330 4.943 -3.950 136 H CYS 20 H CYS 20 -5.173 2.475 -0.569 137 HA CYS 20 HA CYS 20 -6.183 3.333 1.974 138 HB2 CYS 20 2HB CYS 20 -3.514 2.868 0.750 139 HB3 CYS 20 1HB CYS 20 -3.592 3.862 2.205 140 H GLU 21 H GLU 21 -5.069 5.339 2.997 141 HA GLU 21 HA GLU 21 -4.897 7.586 1.119 142 HB2 GLU 21 2HB GLU 21 -6.839 7.429 3.436 143 HB3 GLU 21 1HB GLU 21 -6.437 8.918 2.582 144 HG2 GLU 21 2HG GLU 21 -8.355 8.199 1.447 145 HG3 GLU 21 1HG GLU 21 -7.056 7.565 0.437 146 H ILE 22 H ILE 22 -2.860 8.200 1.578 147 HA ILE 22 HA ILE 22 -2.202 8.749 4.412 148 HB ILE 22 HB ILE 22 -0.377 7.638 2.269 149 HG12 ILE 22 2HG1 ILE 22 -1.115 6.397 4.929 150 HG13 ILE 22 1HG1 ILE 22 -2.075 6.101 3.480 151 HG21 ILE 22 1HG2 ILE 22 0.998 9.048 3.564 152 HG22 ILE 22 2HG2 ILE 22 1.165 7.485 4.363 153 HG23 ILE 22 3HG2 ILE 22 0.100 8.714 5.045 154 HD11 ILE 22 3HD1 ILE 22 0.834 5.790 3.110 155 HD12 ILE 22 1HD1 ILE 22 -0.494 4.772 2.550 156 HD13 ILE 22 2HD1 ILE 22 0.096 4.618 4.205 157 H SER 23 H SER 23 -1.345 10.711 4.844 158 HA SER 23 HA SER 23 -0.690 12.890 4.526 159 HB2 SER 23 2HB SER 23 1.117 13.203 3.128 160 HB3 SER 23 1HB SER 23 1.133 11.448 3.245 161 HG SER 23 HG SER 23 0.847 12.953 1.088 162 H GLY 24 H GLY 24 -3.253 11.805 3.346 163 HA2 GLY 24 2HA GLY 24 -5.066 12.914 2.397 164 HA3 GLY 24 1HA GLY 24 -3.983 14.219 1.923 165 H ARG 25 H ARG 25 -2.601 11.343 1.005 166 HA ARG 25 HA ARG 25 -3.629 11.630 -1.742 167 HB2 ARG 25 2HB ARG 25 -1.275 12.081 -1.647 168 HB3 ARG 25 1HB ARG 25 -0.986 10.616 -0.714 169 HG2 ARG 25 2HG ARG 25 -1.714 9.230 -2.595 170 HG3 ARG 25 1HG ARG 25 -2.102 10.675 -3.531 171 HD2 ARG 25 2HD ARG 25 0.655 10.005 -2.476 172 HD3 ARG 25 1HD ARG 25 0.117 9.696 -4.123 173 HE ARG 25 HE ARG 25 0.799 12.278 -2.976 174 HH11 ARG 25 1HH2 ARG 25 -0.826 10.507 -5.467 175 HH12 ARG 25 2HH2 ARG 25 -0.819 11.820 -6.595 176 HH21 ARG 25 1HH1 ARG 25 0.810 14.004 -4.451 177 HH22 ARG 25 2HH1 ARG 25 0.107 13.800 -6.021 178 H LEU 26 H LEU 26 -4.026 9.748 -2.985 179 HA LEU 26 HA LEU 26 -5.197 7.611 -1.442 180 HB2 LEU 26 2HB LEU 26 -4.975 8.238 -4.379 181 HB3 LEU 26 1HB LEU 26 -5.580 6.673 -3.831 182 HG LEU 26 HG LEU 26 -7.326 8.520 -4.240 183 HD11 LEU 26 1HD1 LEU 26 -8.537 7.063 -3.025 184 HD12 LEU 26 2HD1 LEU 26 -7.994 7.872 -1.555 185 HD13 LEU 26 3HD1 LEU 26 -7.081 6.508 -2.199 186 HD21 LEU 26 3HD2 LEU 26 -5.860 10.230 -3.006 187 HD22 LEU 26 1HD2 LEU 26 -6.395 9.452 -1.517 188 HD23 LEU 26 2HD2 LEU 26 -7.572 10.217 -2.584 189 H TYR 27 H TYR 27 -4.364 5.677 -0.990 190 HA TYR 27 HA TYR 27 -1.820 4.887 -2.273 191 HB2 TYR 27 2HB TYR 27 -2.627 4.900 0.582 192 HB3 TYR 27 1HB TYR 27 -1.592 3.601 -0.007 193 HD1 TYR 27 2HD TYR 27 -1.902 7.329 -0.304 194 HD2 TYR 27 1HD TYR 27 0.697 3.931 0.027 195 HE1 TYR 27 2HE TYR 27 0.072 8.831 -0.240 196 HE2 TYR 27 1HE TYR 27 2.667 5.437 0.078 197 HH TYR 27 HH TYR 27 2.864 8.167 0.861 198 H ARG 28 H ARG 28 -1.437 2.557 -2.340 199 HA ARG 28 HA ARG 28 -3.965 1.118 -2.823 200 HB2 ARG 28 2HB ARG 28 -1.121 0.626 -3.749 201 HB3 ARG 28 1HB ARG 28 -2.446 -0.501 -4.041 202 HG2 ARG 28 2HG ARG 28 -2.529 0.762 -5.986 203 HG3 ARG 28 1HG ARG 28 -3.656 1.659 -4.968 204 HD2 ARG 28 2HD ARG 28 -1.801 3.171 -4.293 205 HD3 ARG 28 1HD ARG 28 -0.723 2.303 -5.382 206 HE ARG 28 HE ARG 28 -2.937 3.129 -6.882 207 HH11 ARG 28 1HH2 ARG 28 -0.327 4.479 -5.054 208 HH12 ARG 28 2HH2 ARG 28 -0.224 5.922 -6.006 209 HH21 ARG 28 1HH1 ARG 28 -2.810 5.020 -8.134 210 HH22 ARG 28 2HH1 ARG 28 -1.631 6.229 -7.750 211 H LEU 29 H LEU 29 -4.590 -0.495 -1.530 212 HA LEU 29 HA LEU 29 -2.733 -1.380 0.577 213 HB2 LEU 29 2HB LEU 29 -4.841 -0.478 1.390 214 HB3 LEU 29 1HB LEU 29 -5.747 -1.587 0.362 215 HG LEU 29 HG LEU 29 -4.872 -3.510 1.584 216 HD11 LEU 29 1HD1 LEU 29 -3.558 -2.780 3.777 217 HD12 LEU 29 2HD1 LEU 29 -3.118 -1.389 2.783 218 HD13 LEU 29 3HD1 LEU 29 -2.704 -3.020 2.254 219 HD21 LEU 29 3HD2 LEU 29 -5.582 -1.656 3.821 220 HD22 LEU 29 1HD2 LEU 29 -6.228 -3.250 3.436 221 HD23 LEU 29 2HD2 LEU 29 -6.755 -1.841 2.516 222 H CYS 30 H CYS 30 -1.613 -3.132 -0.024 223 HA CYS 30 HA CYS 30 -3.079 -5.283 -1.409 224 HB2 CYS 30 2HB CYS 30 -0.881 -6.057 -2.205 225 HB3 CYS 30 1HB CYS 30 -1.250 -4.428 -2.744 226 H CYS 31 H CYS 31 -2.882 -7.456 -0.637 227 HA CYS 31 HA CYS 31 -1.580 -7.666 2.001 228 HB2 CYS 31 2HB CYS 31 -4.091 -9.077 1.114 229 HB3 CYS 31 1HB CYS 31 -3.366 -9.118 2.709 230 H ARG 32 H ARG 32 -0.274 -9.386 2.313 231 HA ARG 32 HA ARG 32 -0.289 -11.547 0.306 232 HB2 ARG 32 2HB ARG 32 2.149 -11.460 0.129 233 HB3 ARG 32 1HB ARG 32 1.422 -9.938 -0.391 234 HG2 ARG 32 2HG ARG 32 1.747 -9.314 2.173 235 HG3 ARG 32 1HG ARG 32 3.013 -10.537 2.067 236 HD2 ARG 32 2HD ARG 32 2.745 -8.266 0.101 237 HD3 ARG 32 1HD ARG 32 3.745 -8.162 1.548 238 HE ARG 32 HE ARG 32 4.426 -10.500 0.094 239 HH11 ARG 32 1HH2 ARG 32 4.633 -7.045 -0.024 240 HH12 ARG 32 2HH2 ARG 32 6.083 -7.027 -0.971 241 HH21 ARG 32 1HH1 ARG 32 6.328 -10.481 -1.148 242 HH22 ARG 32 2HH1 ARG 32 7.043 -8.971 -1.607
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