![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
608548 |
5kwz ![]() ![]() |
30143 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H HIS 1 H HIS 1 1.929 8.250 -0.321 2 HA HIS 1 HA HIS 1 2.201 7.720 2.533 3 HB2 HIS 1 2HB HIS 1 2.809 10.143 0.854 4 HB3 HIS 1 1HB HIS 1 2.843 10.178 2.613 5 HD1 HIS 1 1HD HIS 1 4.671 8.518 -0.321 6 HD2 HIS 1 2HD HIS 1 5.056 9.194 3.765 7 HE1 HIS 1 1HE HIS 1 7.001 7.818 0.289 8 H ASP 2 H ASP 2 0.019 8.953 0.237 9 HA ASP 2 HA ASP 2 -1.593 10.373 2.150 10 HB2 ASP 2 2HB ASP 2 -2.468 9.370 -0.577 11 HB3 ASP 2 1HB ASP 2 -3.299 10.539 0.417 12 HA PRO 3 HA PRO 3 -3.401 6.874 4.145 13 HB2 PRO 3 2HB PRO 3 -5.850 8.577 4.083 14 HB3 PRO 3 1HB PRO 3 -5.122 7.717 5.445 15 HG2 PRO 3 2HG PRO 3 -4.795 10.327 5.221 16 HG3 PRO 3 1HG PRO 3 -3.438 9.298 5.711 17 HD2 PRO 3 2HD PRO 3 -3.939 10.595 3.043 18 HD3 PRO 3 1HD PRO 3 -2.423 10.314 3.927 19 H GLU 4 H GLU 4 -5.362 8.472 1.706 20 HA GLU 4 HA GLU 4 -7.246 6.510 1.096 21 HB2 GLU 4 2HB GLU 4 -5.884 8.375 -0.844 22 HB3 GLU 4 1HB GLU 4 -7.434 7.590 -1.082 23 HG2 GLU 4 2HG GLU 4 -8.423 8.904 0.675 24 HG3 GLU 4 1HG GLU 4 -6.855 9.602 1.080 25 H LYS 5 H LYS 5 -4.176 7.149 -0.537 26 HA LYS 5 HA LYS 5 -4.403 4.876 -2.194 27 HB2 LYS 5 2HB LYS 5 -2.159 6.789 -1.724 28 HB3 LYS 5 1HB LYS 5 -1.935 5.369 -2.740 29 HG2 LYS 5 2HG LYS 5 -3.892 6.191 -4.110 30 HG3 LYS 5 1HG LYS 5 -3.815 7.683 -3.169 31 HD2 LYS 5 2HD LYS 5 -1.508 6.560 -4.766 32 HD3 LYS 5 1HD LYS 5 -2.630 7.771 -5.375 33 HE2 LYS 5 2HE LYS 5 -0.956 8.129 -2.890 34 HE3 LYS 5 1HE LYS 5 -0.470 8.688 -4.484 35 HZ1 LYS 5 1HZ LYS 5 -2.331 10.155 -4.556 36 HZ2 LYS 5 2HZ LYS 5 -1.555 10.395 -3.063 37 HZ3 LYS 5 3HZ LYS 5 -2.976 9.527 -3.135 38 H ARG 6 H ARG 6 -2.676 5.427 0.836 39 HA ARG 6 HA ARG 6 -1.363 2.909 0.521 40 HB2 ARG 6 2HB ARG 6 -0.499 3.157 2.795 41 HB3 ARG 6 1HB ARG 6 -0.198 4.575 1.810 42 HG2 ARG 6 2HG ARG 6 -2.055 5.707 2.913 43 HG3 ARG 6 1HG ARG 6 -2.306 4.282 3.929 44 HD2 ARG 6 2HD ARG 6 -0.010 4.483 4.752 45 HD3 ARG 6 1HD ARG 6 0.205 5.914 3.743 46 HE ARG 6 HE ARG 6 -1.973 6.000 5.612 47 HH11 ARG 6 1HH1 ARG 6 1.439 6.789 5.007 48 HH12 ARG 6 2HH1 ARG 6 1.528 7.989 6.195 49 HH21 ARG 6 1HH2 ARG 6 -1.838 7.661 7.261 50 HH22 ARG 6 2HH2 ARG 6 -0.379 8.501 7.500 51 H LYS 7 H LYS 7 -4.318 3.933 2.049 52 HA LYS 7 HA LYS 7 -4.923 1.568 3.434 53 HB2 LYS 7 2HB LYS 7 -6.273 3.723 3.494 54 HB3 LYS 7 1HB LYS 7 -6.804 3.317 1.863 55 HG2 LYS 7 2HG LYS 7 -8.529 2.717 3.413 56 HG3 LYS 7 1HG LYS 7 -7.824 1.253 2.725 57 HD2 LYS 7 2HD LYS 7 -6.461 0.998 4.747 58 HD3 LYS 7 1HD LYS 7 -7.214 2.437 5.431 59 HE2 LYS 7 2HE LYS 7 -8.560 -0.161 4.704 60 HE3 LYS 7 1HE LYS 7 -8.294 0.477 6.323 61 HZ1 LYS 7 1HZ LYS 7 -10.094 1.631 4.248 62 HZ2 LYS 7 2HZ LYS 7 -9.772 2.347 5.738 63 HZ3 LYS 7 3HZ LYS 7 -10.545 0.859 5.673 64 H GLU 8 H GLU 8 -5.667 2.667 0.145 65 HA GLU 8 HA GLU 8 -6.757 0.301 -0.719 66 HB2 GLU 8 2HB GLU 8 -5.416 2.518 -2.223 67 HB3 GLU 8 1HB GLU 8 -6.028 1.096 -3.054 68 HG2 GLU 8 2HG GLU 8 -7.671 2.953 -1.338 69 HG3 GLU 8 1HG GLU 8 -7.612 2.973 -3.100 70 H CYS 9 H CYS 9 -3.364 1.252 -0.581 71 HA CYS 9 HA CYS 9 -2.273 -0.897 -2.020 72 HB2 CYS 9 2HB CYS 9 -1.065 0.585 0.322 73 HB3 CYS 9 1HB CYS 9 -0.215 -0.597 -0.638 74 H GLU 10 H GLU 10 -2.897 -0.615 1.478 75 HA GLU 10 HA GLU 10 -1.909 -3.234 2.018 76 HB2 GLU 10 2HB GLU 10 -3.698 -1.494 3.725 77 HB3 GLU 10 1HB GLU 10 -2.752 -2.867 4.281 78 HG2 GLU 10 2HG GLU 10 -0.687 -1.659 3.695 79 HG3 GLU 10 1HG GLU 10 -1.657 -0.278 3.191 80 H LYS 11 H LYS 11 -4.898 -1.911 1.128 81 HA LYS 11 HA LYS 11 -6.621 -4.058 1.828 82 HB2 LYS 11 2HB LYS 11 -7.376 -1.802 1.549 83 HB3 LYS 11 1HB LYS 11 -6.791 -1.774 -0.096 84 HG2 LYS 11 2HG LYS 11 -8.512 -3.372 -0.730 85 HG3 LYS 11 1HG LYS 11 -9.110 -3.383 0.941 86 HD2 LYS 11 2HD LYS 11 -9.480 -0.999 0.849 87 HD3 LYS 11 1HD LYS 11 -8.821 -0.936 -0.774 88 HE2 LYS 11 2HE LYS 11 -10.659 -2.302 -1.575 89 HE3 LYS 11 1HE LYS 11 -11.320 -2.376 0.063 90 HZ1 LYS 11 1HZ LYS 11 -11.680 -0.073 0.062 91 HZ2 LYS 11 2HZ LYS 11 -12.299 -0.611 -1.427 92 HZ3 LYS 11 3HZ LYS 11 -10.789 0.166 -1.336 93 H LYS 12 H LYS 12 -5.182 -2.974 -1.237 94 HA LYS 12 HA LYS 12 -6.185 -5.189 -2.746 95 HB2 LYS 12 2HB LYS 12 -4.213 -3.012 -3.368 96 HB3 LYS 12 1HB LYS 12 -4.646 -4.253 -4.532 97 HG2 LYS 12 2HG LYS 12 -6.565 -2.281 -3.283 98 HG3 LYS 12 1HG LYS 12 -5.842 -2.130 -4.886 99 HD2 LYS 12 2HD LYS 12 -6.879 -4.337 -5.461 100 HD3 LYS 12 1HD LYS 12 -7.727 -4.274 -3.921 101 HE2 LYS 12 2HE LYS 12 -7.954 -2.206 -6.112 102 HE3 LYS 12 1HE LYS 12 -9.098 -3.509 -5.835 103 HZ1 LYS 12 1HZ LYS 12 -9.548 -2.543 -3.630 104 HZ2 LYS 12 2HZ LYS 12 -9.941 -1.557 -4.904 105 HZ3 LYS 12 3HZ LYS 12 -8.583 -1.187 -4.001 106 H TYR 13 H TYR 13 -3.032 -4.308 -1.410 107 HA TYR 13 HA TYR 13 -1.997 -6.897 -2.283 108 HB2 TYR 13 2HB TYR 13 -0.517 -4.470 -1.251 109 HB3 TYR 13 1HB TYR 13 0.215 -5.962 -1.797 110 HD1 TYR 13 1HD TYR 13 0.135 -6.515 -4.260 111 HD2 TYR 13 2HD TYR 13 -1.090 -2.746 -2.745 112 HE1 TYR 13 1HE TYR 13 0.442 -5.536 -6.484 113 HE2 TYR 13 2HE TYR 13 -0.802 -1.748 -4.961 114 HH TYR 13 HH TYR 13 0.461 -2.164 -7.007 115 H THR 14 H THR 14 -2.666 -8.270 -0.637 116 HA THR 14 HA THR 14 -2.216 -7.431 2.059 117 HB THR 14 HB THR 14 -2.976 -9.873 2.518 118 HG1 THR 14 1HG THR 14 -2.889 -10.843 0.590 119 HG21 THR 14 1HG2 THR 14 -4.343 -7.864 2.881 120 HG22 THR 14 2HG2 THR 14 -5.312 -9.207 2.293 121 HG23 THR 14 3HG2 THR 14 -4.847 -7.907 1.192 122 H ASP 15 H ASP 15 -0.559 -8.950 -0.404 123 HA ASP 15 HA ASP 15 1.345 -10.540 0.919 124 HB2 ASP 15 2HB ASP 15 1.104 -10.487 -1.537 125 HB3 ASP 15 1HB ASP 15 1.667 -8.826 -1.560 126 HA PRO 16 HA PRO 16 3.162 -7.402 3.554 127 HB2 PRO 16 2HB PRO 16 5.431 -9.325 3.265 128 HB3 PRO 16 1HB PRO 16 4.811 -8.538 4.725 129 HG2 PRO 16 2HG PRO 16 4.192 -11.053 4.227 130 HG3 PRO 16 1HG PRO 16 2.957 -9.933 4.835 131 HD2 PRO 16 2HD PRO 16 3.331 -11.026 2.087 132 HD3 PRO 16 1HD PRO 16 1.838 -10.622 2.959 133 H LYS 17 H LYS 17 5.139 -8.793 0.912 134 HA LYS 17 HA LYS 17 6.875 -6.538 0.987 135 HB2 LYS 17 2HB LYS 17 7.703 -8.792 0.358 136 HB3 LYS 17 1HB LYS 17 6.734 -8.715 -1.099 137 HG2 LYS 17 2HG LYS 17 9.096 -8.191 -1.538 138 HG3 LYS 17 1HG LYS 17 8.009 -6.854 -1.925 139 HD2 LYS 17 2HD LYS 17 9.985 -6.014 -0.806 140 HD3 LYS 17 1HD LYS 17 8.585 -5.781 0.230 141 HE2 LYS 17 2HE LYS 17 9.261 -7.961 1.362 142 HE3 LYS 17 1HE LYS 17 10.762 -7.845 0.460 143 HZ1 LYS 17 1HZ LYS 17 9.721 -5.968 2.487 144 HZ2 LYS 17 2HZ LYS 17 11.040 -5.595 1.502 145 HZ3 LYS 17 3HZ LYS 17 11.127 -6.899 2.576 146 H LYS 18 H LYS 18 4.375 -7.637 -1.263 147 HA LYS 18 HA LYS 18 4.549 -5.518 -3.129 148 HB2 LYS 18 2HB LYS 18 2.111 -7.037 -2.196 149 HB3 LYS 18 1HB LYS 18 2.146 -5.975 -3.583 150 HG2 LYS 18 2HG LYS 18 3.885 -8.411 -3.347 151 HG3 LYS 18 1HG LYS 18 2.286 -8.425 -4.087 152 HD2 LYS 18 2HD LYS 18 3.028 -6.763 -5.722 153 HD3 LYS 18 1HD LYS 18 4.626 -6.737 -4.973 154 HE2 LYS 18 2HE LYS 18 4.967 -9.056 -5.517 155 HE3 LYS 18 1HE LYS 18 3.334 -9.188 -6.162 156 HZ1 LYS 18 1HZ LYS 18 5.064 -8.933 -7.875 157 HZ2 LYS 18 2HZ LYS 18 5.455 -7.429 -7.267 158 HZ3 LYS 18 3HZ LYS 18 3.920 -7.686 -7.927 159 H ARG 19 H ARG 19 2.751 -5.858 -0.150 160 HA ARG 19 HA ARG 19 1.465 -3.371 -0.148 161 HB2 ARG 19 2HB ARG 19 0.575 -4.973 1.291 162 HB3 ARG 19 1HB ARG 19 2.142 -5.402 1.939 163 HG2 ARG 19 2HG ARG 19 2.192 -3.497 3.323 164 HG3 ARG 19 1HG ARG 19 0.832 -2.758 2.474 165 HD2 ARG 19 2HD ARG 19 0.386 -3.880 4.745 166 HD3 ARG 19 1HD ARG 19 -0.716 -4.217 3.421 167 HE ARG 19 HE ARG 19 0.659 -6.292 3.106 168 HH11 ARG 19 1HH1 ARG 19 0.469 -4.799 6.306 169 HH12 ARG 19 2HH1 ARG 19 0.423 -6.262 7.157 170 HH21 ARG 19 1HH2 ARG 19 0.497 -8.352 4.291 171 HH22 ARG 19 2HH2 ARG 19 0.439 -8.312 5.996 172 H GLU 20 H GLU 20 4.579 -4.362 1.290 173 HA GLU 20 HA GLU 20 5.263 -1.905 2.406 174 HB2 GLU 20 2HB GLU 20 7.018 -4.040 1.222 175 HB3 GLU 20 1HB GLU 20 7.674 -2.590 1.945 176 HG2 GLU 20 2HG GLU 20 6.517 -3.234 4.062 177 HG3 GLU 20 1HG GLU 20 6.112 -4.770 3.287 178 H GLU 21 H GLU 21 5.797 -3.087 -0.866 179 HA GLU 21 HA GLU 21 7.254 -0.794 -1.661 180 HB2 GLU 21 2HB GLU 21 5.976 -2.983 -3.220 181 HB3 GLU 21 1HB GLU 21 6.832 -1.636 -3.968 182 HG2 GLU 21 2HG GLU 21 7.959 -3.636 -2.008 183 HG3 GLU 21 1HG GLU 21 8.312 -3.549 -3.736 184 H CYS 22 H CYS 22 3.880 -1.611 -1.879 185 HA CYS 22 HA CYS 22 3.332 0.574 -3.570 186 HB2 CYS 22 2HB CYS 22 1.828 -1.398 -3.373 187 HB3 CYS 22 1HB CYS 22 1.414 -0.903 -1.742 188 H LYS 23 H LYS 23 3.055 -0.018 -0.085 189 HA LYS 23 HA LYS 23 2.012 2.486 0.710 190 HB2 LYS 23 2HB LYS 23 1.891 0.343 1.962 191 HB3 LYS 23 1HB LYS 23 3.612 0.431 2.242 192 HG2 LYS 23 2HG LYS 23 3.321 2.352 3.665 193 HG3 LYS 23 1HG LYS 23 1.591 2.402 3.290 194 HD2 LYS 23 2HD LYS 23 1.307 0.168 4.236 195 HD3 LYS 23 1HD LYS 23 3.027 0.092 4.598 196 HE2 LYS 23 2HE LYS 23 2.793 1.943 6.147 197 HE3 LYS 23 1HE LYS 23 1.076 2.080 5.752 198 HZ1 LYS 23 1HZ LYS 23 2.394 -0.269 7.002 199 HZ2 LYS 23 2HZ LYS 23 0.743 -0.141 6.612 200 HZ3 LYS 23 3HZ LYS 23 1.415 0.865 7.790 201 H ARG 24 H ARG 24 5.165 1.322 0.006 202 HA ARG 24 HA ARG 24 6.918 3.161 1.118 203 HB2 ARG 24 2HB ARG 24 7.594 1.153 -0.080 204 HB3 ARG 24 1HB ARG 24 6.936 1.787 -1.570 205 HG2 ARG 24 2HG ARG 24 8.650 3.575 -1.499 206 HG3 ARG 24 1HG ARG 24 9.337 2.788 -0.074 207 HD2 ARG 24 2HD ARG 24 9.735 0.755 -1.354 208 HD3 ARG 24 1HD ARG 24 8.992 1.485 -2.777 209 HE ARG 24 HE ARG 24 11.090 3.072 -1.781 210 HH11 ARG 24 1HH1 ARG 24 10.631 0.037 -3.618 211 HH12 ARG 24 2HH1 ARG 24 12.067 0.261 -4.511 212 HH21 ARG 24 1HH2 ARG 24 13.039 3.291 -3.032 213 HH22 ARG 24 2HH2 ARG 24 13.446 2.115 -4.188 214 H LYS 25 H LYS 25 4.833 3.379 -1.695 215 HA LYS 25 HA LYS 25 5.923 5.989 -2.409 216 HB2 LYS 25 2HB LYS 25 5.617 4.263 -4.164 217 HB3 LYS 25 1HB LYS 25 3.895 4.246 -3.815 218 HG2 LYS 25 2HG LYS 25 3.783 6.621 -4.452 219 HG3 LYS 25 1HG LYS 25 5.486 6.550 -4.910 220 HD2 LYS 25 2HD LYS 25 4.946 4.790 -6.539 221 HD3 LYS 25 1HD LYS 25 3.244 4.915 -6.089 222 HE2 LYS 25 2HE LYS 25 4.939 7.096 -7.288 223 HE3 LYS 25 1HE LYS 25 3.699 6.170 -8.124 224 HZ1 LYS 25 1HZ LYS 25 2.037 7.128 -6.664 225 HZ2 LYS 25 2HZ LYS 25 2.889 8.341 -7.431 226 HZ3 LYS 25 3HZ LYS 25 3.199 8.005 -5.822 227 H ALA 26 H ALA 26 2.975 4.361 -1.440 228 HA ALA 26 HA ALA 26 1.334 6.684 -1.620 229 HB1 ALA 26 1HB ALA 26 -0.410 5.287 -0.733 230 HB2 ALA 26 2HB ALA 26 0.771 4.046 -0.318 231 HB3 ALA 26 3HB ALA 26 0.469 4.446 -2.007 Start of MODEL 2 1 H HIS 1 H HIS 1 1.928 8.597 -1.044 2 HA HIS 1 HA HIS 1 2.398 8.115 1.804 3 HB2 HIS 1 2HB HIS 1 2.577 10.729 0.277 4 HB3 HIS 1 1HB HIS 1 2.771 10.570 2.014 5 HD1 HIS 1 1HD HIS 1 4.704 10.587 -1.037 6 HD2 HIS 1 2HD HIS 1 5.028 8.830 2.706 7 HE1 HIS 1 1HE HIS 1 7.111 9.883 -0.809 8 H ASP 2 H ASP 2 -0.023 8.701 -0.400 9 HA ASP 2 HA ASP 2 -1.736 10.202 1.330 10 HB2 ASP 2 2HB ASP 2 -2.497 8.532 -1.079 11 HB3 ASP 2 1HB ASP 2 -3.573 9.618 -0.223 12 HA PRO 3 HA PRO 3 -2.775 6.889 4.008 13 HB2 PRO 3 2HB PRO 3 -5.212 7.914 4.876 14 HB3 PRO 3 1HB PRO 3 -3.642 8.335 5.554 15 HG2 PRO 3 2HG PRO 3 -5.299 9.805 3.557 16 HG3 PRO 3 1HG PRO 3 -4.313 10.445 4.884 17 HD2 PRO 3 2HD PRO 3 -3.494 10.512 2.324 18 HD3 PRO 3 1HD PRO 3 -2.349 10.274 3.666 19 H GLU 4 H GLU 4 -5.191 8.153 1.771 20 HA GLU 4 HA GLU 4 -6.963 5.964 1.668 21 HB2 GLU 4 2HB GLU 4 -7.546 8.121 0.725 22 HB3 GLU 4 1HB GLU 4 -6.216 8.004 -0.419 23 HG2 GLU 4 2HG GLU 4 -7.376 6.004 -1.395 24 HG3 GLU 4 1HG GLU 4 -8.756 6.401 -0.372 25 H LYS 5 H LYS 5 -4.257 6.853 -0.446 26 HA LYS 5 HA LYS 5 -4.467 4.680 -2.210 27 HB2 LYS 5 2HB LYS 5 -2.148 6.470 -1.538 28 HB3 LYS 5 1HB LYS 5 -2.061 5.324 -2.846 29 HG2 LYS 5 2HG LYS 5 -3.911 7.702 -2.608 30 HG3 LYS 5 1HG LYS 5 -2.568 7.502 -3.733 31 HD2 LYS 5 2HD LYS 5 -3.786 5.575 -4.746 32 HD3 LYS 5 1HD LYS 5 -5.147 5.928 -3.683 33 HE2 LYS 5 2HE LYS 5 -3.993 7.764 -5.771 34 HE3 LYS 5 1HE LYS 5 -5.497 6.857 -5.907 35 HZ1 LYS 5 1HZ LYS 5 -6.346 8.187 -3.983 36 HZ2 LYS 5 2HZ LYS 5 -5.964 9.108 -5.332 37 HZ3 LYS 5 3HZ LYS 5 -4.920 9.099 -4.035 38 H ARG 6 H ARG 6 -2.571 5.138 0.672 39 HA ARG 6 HA ARG 6 -1.144 2.711 0.482 40 HB2 ARG 6 2HB ARG 6 -0.392 4.605 1.812 41 HB3 ARG 6 1HB ARG 6 -1.779 4.422 2.872 42 HG2 ARG 6 2HG ARG 6 -0.969 2.274 3.610 43 HG3 ARG 6 1HG ARG 6 0.397 2.385 2.495 44 HD2 ARG 6 2HD ARG 6 -0.209 4.279 4.738 45 HD3 ARG 6 1HD ARG 6 1.027 3.020 4.772 46 HE ARG 6 HE ARG 6 1.555 4.559 2.547 47 HH11 ARG 6 1HH1 ARG 6 1.390 5.110 6.030 48 HH12 ARG 6 2HH1 ARG 6 2.496 6.403 6.015 49 HH21 ARG 6 1HH2 ARG 6 3.042 6.286 2.504 50 HH22 ARG 6 2HH2 ARG 6 3.479 7.104 3.949 51 H LYS 7 H LYS 7 -4.193 3.611 2.027 52 HA LYS 7 HA LYS 7 -4.587 1.163 3.427 53 HB2 LYS 7 2HB LYS 7 -5.755 3.424 3.795 54 HB3 LYS 7 1HB LYS 7 -6.747 2.983 2.410 55 HG2 LYS 7 2HG LYS 7 -8.004 2.367 4.273 56 HG3 LYS 7 1HG LYS 7 -7.314 0.870 3.662 57 HD2 LYS 7 2HD LYS 7 -5.512 0.985 5.317 58 HD3 LYS 7 1HD LYS 7 -6.190 2.483 5.954 59 HE2 LYS 7 2HE LYS 7 -6.856 0.685 7.387 60 HE3 LYS 7 1HE LYS 7 -8.270 1.225 6.487 61 HZ1 LYS 7 1HZ LYS 7 -6.608 -1.149 5.853 62 HZ2 LYS 7 2HZ LYS 7 -7.994 -0.678 4.995 63 HZ3 LYS 7 3HZ LYS 7 -8.121 -1.183 6.582 64 H GLU 8 H GLU 8 -5.588 2.432 0.296 65 HA GLU 8 HA GLU 8 -7.196 0.323 -0.465 66 HB2 GLU 8 2HB GLU 8 -7.061 2.535 -1.611 67 HB3 GLU 8 1HB GLU 8 -5.489 2.087 -2.231 68 HG2 GLU 8 2HG GLU 8 -7.226 1.859 -3.924 69 HG3 GLU 8 1HG GLU 8 -6.465 0.314 -3.552 70 H CYS 9 H CYS 9 -3.715 0.923 -0.912 71 HA CYS 9 HA CYS 9 -3.110 -1.455 -2.267 72 HB2 CYS 9 2HB CYS 9 -1.381 0.251 -0.492 73 HB3 CYS 9 1HB CYS 9 -0.778 -1.150 -1.369 74 H GLU 10 H GLU 10 -3.376 -0.773 1.168 75 HA GLU 10 HA GLU 10 -2.339 -3.208 2.139 76 HB2 GLU 10 2HB GLU 10 -2.700 -1.214 3.531 77 HB3 GLU 10 1HB GLU 10 -4.431 -1.358 3.301 78 HG2 GLU 10 2HG GLU 10 -4.383 -3.504 4.498 79 HG3 GLU 10 1HG GLU 10 -2.654 -3.286 4.767 80 H LYS 11 H LYS 11 -5.559 -2.217 1.182 81 HA LYS 11 HA LYS 11 -6.846 -4.666 1.883 82 HB2 LYS 11 2HB LYS 11 -8.029 -2.505 1.809 83 HB3 LYS 11 1HB LYS 11 -7.763 -2.424 0.080 84 HG2 LYS 11 2HG LYS 11 -10.045 -3.105 0.608 85 HG3 LYS 11 1HG LYS 11 -9.169 -4.370 -0.253 86 HD2 LYS 11 2HD LYS 11 -8.812 -5.587 1.798 87 HD3 LYS 11 1HD LYS 11 -9.534 -4.285 2.742 88 HE2 LYS 11 2HE LYS 11 -11.116 -6.112 2.442 89 HE3 LYS 11 1HE LYS 11 -11.668 -4.663 1.606 90 HZ1 LYS 11 1HZ LYS 11 -10.858 -5.622 -0.482 91 HZ2 LYS 11 2HZ LYS 11 -11.984 -6.616 0.267 92 HZ3 LYS 11 3HZ LYS 11 -10.359 -7.010 0.347 93 H LYS 12 H LYS 12 -5.674 -3.298 -1.149 94 HA LYS 12 HA LYS 12 -6.617 -5.471 -2.752 95 HB2 LYS 12 2HB LYS 12 -6.263 -3.125 -3.559 96 HB3 LYS 12 1HB LYS 12 -4.535 -3.393 -3.432 97 HG2 LYS 12 2HG LYS 12 -5.189 -3.639 -5.722 98 HG3 LYS 12 1HG LYS 12 -4.750 -5.226 -5.094 99 HD2 LYS 12 2HD LYS 12 -7.080 -5.808 -4.809 100 HD3 LYS 12 1HD LYS 12 -7.562 -4.178 -5.267 101 HE2 LYS 12 2HE LYS 12 -7.891 -5.725 -7.112 102 HE3 LYS 12 1HE LYS 12 -6.661 -4.532 -7.507 103 HZ1 LYS 12 1HZ LYS 12 -4.956 -6.191 -7.063 104 HZ2 LYS 12 2HZ LYS 12 -6.055 -6.769 -8.195 105 HZ3 LYS 12 3HZ LYS 12 -6.134 -7.321 -6.623 106 H TYR 13 H TYR 13 -3.526 -4.599 -1.271 107 HA TYR 13 HA TYR 13 -2.485 -7.214 -2.053 108 HB2 TYR 13 2HB TYR 13 -0.854 -4.685 -1.755 109 HB3 TYR 13 1HB TYR 13 -0.302 -6.272 -2.259 110 HD1 TYR 13 1HD TYR 13 -1.888 -3.186 -3.275 111 HD2 TYR 13 2HD TYR 13 -0.812 -7.097 -4.545 112 HE1 TYR 13 1HE TYR 13 -2.217 -2.507 -5.597 113 HE2 TYR 13 2HE TYR 13 -1.142 -6.436 -6.877 114 HH TYR 13 HH TYR 13 -2.454 -4.692 -8.139 115 H THR 14 H THR 14 -2.852 -8.177 -0.102 116 HA THR 14 HA THR 14 -1.835 -6.866 2.275 117 HB THR 14 HB THR 14 -3.197 -9.578 2.002 118 HG1 THR 14 1HG THR 14 -4.106 -6.937 1.991 119 HG21 THR 14 1HG2 THR 14 -3.794 -9.217 4.363 120 HG22 THR 14 2HG2 THR 14 -2.972 -7.658 4.343 121 HG23 THR 14 3HG2 THR 14 -2.042 -9.147 4.172 122 H ASP 15 H ASP 15 -0.681 -8.413 -0.209 123 HA ASP 15 HA ASP 15 1.191 -10.339 0.702 124 HB2 ASP 15 2HB ASP 15 0.463 -10.015 -1.657 125 HB3 ASP 15 1HB ASP 15 1.302 -8.476 -1.677 126 HA PRO 16 HA PRO 16 3.659 -7.542 3.181 127 HB2 PRO 16 2HB PRO 16 5.743 -9.498 2.316 128 HB3 PRO 16 1HB PRO 16 5.449 -8.819 3.922 129 HG2 PRO 16 2HG PRO 16 4.601 -11.246 3.392 130 HG3 PRO 16 1HG PRO 16 3.538 -10.123 4.257 131 HD2 PRO 16 2HD PRO 16 3.424 -11.016 1.409 132 HD3 PRO 16 1HD PRO 16 2.103 -10.649 2.541 133 H LYS 17 H LYS 17 5.243 -8.748 0.205 134 HA LYS 17 HA LYS 17 6.974 -6.512 0.164 135 HB2 LYS 17 2HB LYS 17 7.722 -8.582 -0.876 136 HB3 LYS 17 1HB LYS 17 6.417 -8.490 -2.055 137 HG2 LYS 17 2HG LYS 17 7.362 -6.495 -3.027 138 HG3 LYS 17 1HG LYS 17 8.579 -6.437 -1.758 139 HD2 LYS 17 2HD LYS 17 9.612 -8.435 -2.575 140 HD3 LYS 17 1HD LYS 17 8.329 -8.656 -3.770 141 HE2 LYS 17 2HE LYS 17 10.336 -7.672 -4.793 142 HE3 LYS 17 1HE LYS 17 8.959 -6.577 -4.860 143 HZ1 LYS 17 1HZ LYS 17 9.903 -5.362 -2.946 144 HZ2 LYS 17 2HZ LYS 17 10.941 -5.410 -4.263 145 HZ3 LYS 17 3HZ LYS 17 11.224 -6.427 -2.945 146 H LYS 18 H LYS 18 3.988 -7.219 -1.528 147 HA LYS 18 HA LYS 18 4.058 -4.990 -3.318 148 HB2 LYS 18 2HB LYS 18 1.631 -6.320 -2.161 149 HB3 LYS 18 1HB LYS 18 1.694 -5.406 -3.659 150 HG2 LYS 18 2HG LYS 18 3.023 -8.050 -3.122 151 HG3 LYS 18 1HG LYS 18 1.517 -7.820 -3.998 152 HD2 LYS 18 2HD LYS 18 2.639 -6.679 -5.741 153 HD3 LYS 18 1HD LYS 18 4.166 -6.660 -4.836 154 HE2 LYS 18 2HE LYS 18 2.696 -9.126 -5.781 155 HE3 LYS 18 1HE LYS 18 4.129 -8.441 -6.546 156 HZ1 LYS 18 1HZ LYS 18 5.391 -8.872 -4.557 157 HZ2 LYS 18 2HZ LYS 18 4.703 -10.286 -5.082 158 HZ3 LYS 18 3HZ LYS 18 4.048 -9.494 -3.737 159 H ARG 19 H ARG 19 2.580 -5.574 -0.169 160 HA ARG 19 HA ARG 19 1.204 -3.156 0.106 161 HB2 ARG 19 2HB ARG 19 0.831 -5.188 1.490 162 HB3 ARG 19 1HB ARG 19 2.356 -4.870 2.303 163 HG2 ARG 19 2HG ARG 19 1.421 -2.639 2.974 164 HG3 ARG 19 1HG ARG 19 -0.140 -3.195 2.366 165 HD2 ARG 19 2HD ARG 19 -0.050 -3.579 4.734 166 HD3 ARG 19 1HD ARG 19 0.028 -5.137 3.906 167 HE ARG 19 HE ARG 19 2.599 -3.973 4.522 168 HH11 ARG 19 1HH1 ARG 19 0.048 -6.070 5.767 169 HH12 ARG 19 2HH1 ARG 19 1.061 -6.854 6.885 170 HH21 ARG 19 1HH2 ARG 19 3.970 -5.033 5.974 171 HH22 ARG 19 2HH2 ARG 19 3.378 -6.271 6.988 172 H GLU 20 H GLU 20 4.384 -4.182 1.378 173 HA GLU 20 HA GLU 20 4.878 -1.704 2.593 174 HB2 GLU 20 2HB GLU 20 6.856 -3.832 1.789 175 HB3 GLU 20 1HB GLU 20 7.234 -2.442 2.795 176 HG2 GLU 20 2HG GLU 20 5.362 -4.707 3.437 177 HG3 GLU 20 1HG GLU 20 6.904 -4.337 4.207 178 H GLU 21 H GLU 21 5.643 -2.921 -0.652 179 HA GLU 21 HA GLU 21 7.368 -0.911 -1.454 180 HB2 GLU 21 2HB GLU 21 6.832 -3.005 -2.696 181 HB3 GLU 21 1HB GLU 21 5.256 -2.319 -3.075 182 HG2 GLU 21 2HG GLU 21 6.441 -0.414 -4.094 183 HG3 GLU 21 1HG GLU 21 7.932 -1.346 -3.904 184 H CYS 22 H CYS 22 3.829 -1.197 -1.721 185 HA CYS 22 HA CYS 22 3.469 1.348 -2.864 186 HB2 CYS 22 2HB CYS 22 1.709 -0.354 -3.056 187 HB3 CYS 22 1HB CYS 22 1.461 -0.305 -1.311 188 H LYS 23 H LYS 23 3.323 0.214 0.466 189 HA LYS 23 HA LYS 23 2.446 2.495 1.774 190 HB2 LYS 23 2HB LYS 23 2.680 0.372 2.882 191 HB3 LYS 23 1HB LYS 23 4.415 0.381 2.627 192 HG2 LYS 23 2HG LYS 23 4.609 2.318 4.139 193 HG3 LYS 23 1HG LYS 23 2.872 2.242 4.430 194 HD2 LYS 23 2HD LYS 23 4.796 -0.016 4.987 195 HD3 LYS 23 1HD LYS 23 4.252 1.143 6.196 196 HE2 LYS 23 2HE LYS 23 1.965 0.396 5.937 197 HE3 LYS 23 1HE LYS 23 2.427 -0.671 4.612 198 HZ1 LYS 23 1HZ LYS 23 3.469 -0.932 7.373 199 HZ2 LYS 23 2HZ LYS 23 3.678 -1.996 6.053 200 HZ3 LYS 23 3HZ LYS 23 2.160 -1.813 6.757 201 H ARG 24 H ARG 24 5.657 1.689 0.638 202 HA ARG 24 HA ARG 24 6.885 3.956 1.906 203 HB2 ARG 24 2HB ARG 24 7.964 1.996 -0.106 204 HB3 ARG 24 1HB ARG 24 8.909 3.205 0.748 205 HG2 ARG 24 2HG ARG 24 8.555 2.124 2.838 206 HG3 ARG 24 1HG ARG 24 7.357 1.036 2.132 207 HD2 ARG 24 2HD ARG 24 9.152 0.162 0.639 208 HD3 ARG 24 1HD ARG 24 10.307 1.127 1.559 209 HE ARG 24 HE ARG 24 9.204 -0.235 3.503 210 HH11 ARG 24 1HH1 ARG 24 10.263 -1.402 0.323 211 HH12 ARG 24 2HH1 ARG 24 10.611 -2.976 0.833 212 HH21 ARG 24 1HH2 ARG 24 9.655 -2.427 4.229 213 HH22 ARG 24 2HH2 ARG 24 10.253 -3.582 3.140 214 H LYS 25 H LYS 25 5.269 3.415 -1.095 215 HA LYS 25 HA LYS 25 6.692 5.700 -2.263 216 HB2 LYS 25 2HB LYS 25 6.605 3.607 -3.626 217 HB3 LYS 25 1HB LYS 25 4.854 3.770 -3.697 218 HG2 LYS 25 2HG LYS 25 5.115 5.944 -4.804 219 HG3 LYS 25 1HG LYS 25 6.863 5.729 -4.760 220 HD2 LYS 25 2HD LYS 25 6.637 3.736 -6.168 221 HD3 LYS 25 1HD LYS 25 4.891 3.976 -6.226 222 HE2 LYS 25 2HE LYS 25 7.008 5.861 -7.284 223 HE3 LYS 25 1HE LYS 25 5.927 4.867 -8.250 224 HZ1 LYS 25 1HZ LYS 25 5.149 7.161 -8.143 225 HZ2 LYS 25 2HZ LYS 25 5.105 7.126 -6.486 226 HZ3 LYS 25 3HZ LYS 25 4.041 6.173 -7.367 227 H ALA 26 H ALA 26 3.489 4.532 -1.486 228 HA ALA 26 HA ALA 26 2.275 7.002 -2.363 229 HB1 ALA 26 1HB ALA 26 1.105 4.915 -2.844 230 HB2 ALA 26 2HB ALA 26 0.160 5.906 -1.732 231 HB3 ALA 26 3HB ALA 26 1.071 4.523 -1.126 Start of MODEL 3 1 H HIS 1 H HIS 1 1.561 8.394 -0.994 2 HA HIS 1 HA HIS 1 2.542 8.666 1.747 3 HB2 HIS 1 2HB HIS 1 2.273 10.672 -0.491 4 HB3 HIS 1 1HB HIS 1 2.536 11.166 1.174 5 HD1 HIS 1 1HD HIS 1 4.733 12.156 -0.337 6 HD2 HIS 1 2HD HIS 1 4.653 8.143 0.741 7 HE1 HIS 1 1HE HIS 1 7.121 11.387 -0.394 8 H ASP 2 H ASP 2 -0.257 8.508 0.012 9 HA ASP 2 HA ASP 2 -1.724 10.185 1.908 10 HB2 ASP 2 2HB ASP 2 -2.855 8.672 -0.452 11 HB3 ASP 2 1HB ASP 2 -3.696 9.824 0.549 12 HA PRO 3 HA PRO 3 -2.814 6.594 4.326 13 HB2 PRO 3 2HB PRO 3 -5.329 8.109 4.745 14 HB3 PRO 3 1HB PRO 3 -4.220 7.441 5.947 15 HG2 PRO 3 2HG PRO 3 -4.329 10.073 5.468 16 HG3 PRO 3 1HG PRO 3 -2.801 9.261 5.840 17 HD2 PRO 3 2HD PRO 3 -3.819 10.242 3.199 18 HD3 PRO 3 1HD PRO 3 -2.165 10.175 3.852 19 H GLU 4 H GLU 4 -4.915 8.168 2.052 20 HA GLU 4 HA GLU 4 -6.949 6.327 1.574 21 HB2 GLU 4 2HB GLU 4 -5.477 7.934 -0.505 22 HB3 GLU 4 1HB GLU 4 -7.106 7.304 -0.626 23 HG2 GLU 4 2HG GLU 4 -7.846 8.832 1.094 24 HG3 GLU 4 1HG GLU 4 -6.193 9.426 1.296 25 H LYS 5 H LYS 5 -3.830 6.712 -0.056 26 HA LYS 5 HA LYS 5 -4.184 4.391 -1.663 27 HB2 LYS 5 2HB LYS 5 -1.804 6.187 -1.245 28 HB3 LYS 5 1HB LYS 5 -1.835 4.855 -2.397 29 HG2 LYS 5 2HG LYS 5 -3.768 7.154 -2.424 30 HG3 LYS 5 1HG LYS 5 -2.297 7.082 -3.398 31 HD2 LYS 5 2HD LYS 5 -3.092 5.210 -4.617 32 HD3 LYS 5 1HD LYS 5 -4.428 4.947 -3.503 33 HE2 LYS 5 2HE LYS 5 -4.088 7.361 -5.266 34 HE3 LYS 5 1HE LYS 5 -5.143 5.983 -5.592 35 HZ1 LYS 5 1HZ LYS 5 -6.301 6.472 -3.496 36 HZ2 LYS 5 2HZ LYS 5 -6.431 7.700 -4.634 37 HZ3 LYS 5 3HZ LYS 5 -5.393 7.895 -3.335 38 H ARG 6 H ARG 6 -2.566 5.121 1.303 39 HA ARG 6 HA ARG 6 -1.081 2.763 1.569 40 HB2 ARG 6 2HB ARG 6 -0.965 4.750 3.094 41 HB3 ARG 6 1HB ARG 6 -2.514 4.269 3.765 42 HG2 ARG 6 2HG ARG 6 -1.497 2.124 4.468 43 HG3 ARG 6 1HG ARG 6 0.059 2.721 3.890 44 HD2 ARG 6 2HD ARG 6 -0.058 3.088 6.241 45 HD3 ARG 6 1HD ARG 6 -0.174 4.648 5.431 46 HE ARG 6 HE ARG 6 -2.577 3.224 6.301 47 HH11 ARG 6 1HH1 ARG 6 -0.616 6.205 6.313 48 HH12 ARG 6 2HH1 ARG 6 -1.581 6.988 7.466 49 HH21 ARG 6 1HH2 ARG 6 -3.942 4.399 7.880 50 HH22 ARG 6 2HH2 ARG 6 -3.479 5.982 8.332 51 H LYS 7 H LYS 7 -4.396 3.575 2.443 52 HA LYS 7 HA LYS 7 -5.252 1.100 3.505 53 HB2 LYS 7 2HB LYS 7 -6.402 3.300 3.770 54 HB3 LYS 7 1HB LYS 7 -6.754 3.228 2.046 55 HG2 LYS 7 2HG LYS 7 -8.176 1.300 2.383 56 HG3 LYS 7 1HG LYS 7 -7.844 1.343 4.118 57 HD2 LYS 7 2HD LYS 7 -8.745 3.610 4.232 58 HD3 LYS 7 1HD LYS 7 -9.086 3.562 2.508 59 HE2 LYS 7 2HE LYS 7 -10.643 1.705 2.870 60 HE3 LYS 7 1HE LYS 7 -10.288 1.757 4.596 61 HZ1 LYS 7 1HZ LYS 7 -11.477 3.967 3.023 62 HZ2 LYS 7 2HZ LYS 7 -11.145 4.004 4.673 63 HZ3 LYS 7 3HZ LYS 7 -12.331 2.950 4.070 64 H GLU 8 H GLU 8 -5.635 2.564 0.318 65 HA GLU 8 HA GLU 8 -6.995 0.518 -0.873 66 HB2 GLU 8 2HB GLU 8 -5.124 2.545 -2.110 67 HB3 GLU 8 1HB GLU 8 -6.140 1.466 -3.055 68 HG2 GLU 8 2HG GLU 8 -8.131 2.415 -2.104 69 HG3 GLU 8 1HG GLU 8 -7.178 3.408 -1.011 70 H CYS 9 H CYS 9 -3.509 1.027 -0.624 71 HA CYS 9 HA CYS 9 -2.979 -1.350 -2.136 72 HB2 CYS 9 2HB CYS 9 -1.157 0.594 -0.755 73 HB3 CYS 9 1HB CYS 9 -0.564 -0.894 -1.492 74 H GLU 10 H GLU 10 -3.414 -0.606 1.160 75 HA GLU 10 HA GLU 10 -2.191 -2.882 2.301 76 HB2 GLU 10 2HB GLU 10 -2.950 -0.909 3.578 77 HB3 GLU 10 1HB GLU 10 -4.608 -1.282 3.162 78 HG2 GLU 10 2HG GLU 10 -4.390 -3.396 4.425 79 HG3 GLU 10 1HG GLU 10 -2.776 -2.883 4.922 80 H LYS 11 H LYS 11 -5.331 -2.186 0.947 81 HA LYS 11 HA LYS 11 -6.392 -4.775 1.533 82 HB2 LYS 11 2HB LYS 11 -7.760 -2.689 1.341 83 HB3 LYS 11 1HB LYS 11 -7.444 -2.703 -0.386 84 HG2 LYS 11 2HG LYS 11 -8.560 -4.854 -0.580 85 HG3 LYS 11 1HG LYS 11 -8.886 -4.844 1.155 86 HD2 LYS 11 2HD LYS 11 -10.141 -2.734 0.856 87 HD3 LYS 11 1HD LYS 11 -9.888 -2.868 -0.884 88 HE2 LYS 11 2HE LYS 11 -11.057 -5.028 -0.870 89 HE3 LYS 11 1HE LYS 11 -11.350 -4.849 0.857 90 HZ1 LYS 11 1HZ LYS 11 -12.571 -2.808 0.368 91 HZ2 LYS 11 2HZ LYS 11 -13.267 -4.155 -0.371 92 HZ3 LYS 11 3HZ LYS 11 -12.345 -3.073 -1.286 93 H LYS 12 H LYS 12 -5.588 -3.104 -1.525 94 HA LYS 12 HA LYS 12 -5.976 -5.260 -3.254 95 HB2 LYS 12 2HB LYS 12 -4.147 -2.885 -3.523 96 HB3 LYS 12 1HB LYS 12 -4.523 -3.988 -4.844 97 HG2 LYS 12 2HG LYS 12 -6.848 -3.342 -4.762 98 HG3 LYS 12 1HG LYS 12 -6.547 -2.341 -3.339 99 HD2 LYS 12 2HD LYS 12 -4.999 -0.964 -4.681 100 HD3 LYS 12 1HD LYS 12 -5.407 -1.929 -6.101 101 HE2 LYS 12 2HE LYS 12 -7.730 -1.233 -5.933 102 HE3 LYS 12 1HE LYS 12 -7.372 -0.334 -4.459 103 HZ1 LYS 12 1HZ LYS 12 -7.466 1.114 -6.383 104 HZ2 LYS 12 2HZ LYS 12 -6.217 0.256 -7.133 105 HZ3 LYS 12 3HZ LYS 12 -5.922 1.106 -5.727 106 H TYR 13 H TYR 13 -2.962 -4.196 -1.651 107 HA TYR 13 HA TYR 13 -1.779 -6.688 -2.567 108 HB2 TYR 13 2HB TYR 13 -0.463 -4.255 -1.336 109 HB3 TYR 13 1HB TYR 13 0.380 -5.712 -1.837 110 HD1 TYR 13 1HD TYR 13 0.277 -6.320 -4.345 111 HD2 TYR 13 2HD TYR 13 -0.783 -2.502 -2.821 112 HE1 TYR 13 1HE TYR 13 0.625 -5.342 -6.571 113 HE2 TYR 13 2HE TYR 13 -0.452 -1.511 -5.038 114 HH TYR 13 HH TYR 13 0.878 -2.039 -7.081 115 H THR 14 H THR 14 -2.455 -8.141 -1.237 116 HA THR 14 HA THR 14 -2.781 -7.656 1.572 117 HB THR 14 HB THR 14 -3.015 -10.242 0.020 118 HG1 THR 14 1HG THR 14 -4.426 -7.925 -0.109 119 HG21 THR 14 1HG2 THR 14 -4.361 -9.245 2.549 120 HG22 THR 14 2HG2 THR 14 -3.057 -10.431 2.491 121 HG23 THR 14 3HG2 THR 14 -4.628 -10.811 1.783 122 H ASP 15 H ASP 15 -0.495 -8.986 -0.620 123 HA ASP 15 HA ASP 15 1.121 -10.445 1.177 124 HB2 ASP 15 2HB ASP 15 1.368 -10.799 -1.198 125 HB3 ASP 15 1HB ASP 15 1.776 -9.108 -1.456 126 HA PRO 16 HA PRO 16 2.623 -7.106 3.719 127 HB2 PRO 16 2HB PRO 16 4.941 -8.987 3.889 128 HB3 PRO 16 1HB PRO 16 4.119 -8.103 5.183 129 HG2 PRO 16 2HG PRO 16 3.588 -10.659 4.831 130 HG3 PRO 16 1HG PRO 16 2.267 -9.520 5.147 131 HD2 PRO 16 2HD PRO 16 3.071 -10.814 2.577 132 HD3 PRO 16 1HD PRO 16 1.453 -10.417 3.197 133 H LYS 17 H LYS 17 4.957 -8.615 1.435 134 HA LYS 17 HA LYS 17 6.705 -6.363 1.499 135 HB2 LYS 17 2HB LYS 17 7.514 -8.619 0.901 136 HB3 LYS 17 1HB LYS 17 6.539 -8.564 -0.563 137 HG2 LYS 17 2HG LYS 17 7.854 -6.556 -1.271 138 HG3 LYS 17 1HG LYS 17 8.908 -6.828 0.115 139 HD2 LYS 17 2HD LYS 17 9.436 -9.069 -0.754 140 HD3 LYS 17 1HD LYS 17 8.409 -8.756 -2.153 141 HE2 LYS 17 2HE LYS 17 10.938 -7.289 -1.392 142 HE3 LYS 17 1HE LYS 17 10.719 -8.382 -2.755 143 HZ1 LYS 17 1HZ LYS 17 9.485 -5.723 -2.370 144 HZ2 LYS 17 2HZ LYS 17 9.001 -6.718 -3.592 145 HZ3 LYS 17 3HZ LYS 17 10.592 -6.130 -3.552 146 H LYS 18 H LYS 18 4.310 -7.548 -0.837 147 HA LYS 18 HA LYS 18 4.645 -5.432 -2.670 148 HB2 LYS 18 2HB LYS 18 2.275 -7.232 -2.167 149 HB3 LYS 18 1HB LYS 18 2.291 -6.022 -3.439 150 HG2 LYS 18 2HG LYS 18 4.275 -8.272 -3.196 151 HG3 LYS 18 1HG LYS 18 2.861 -8.274 -4.260 152 HD2 LYS 18 2HD LYS 18 3.698 -6.398 -5.483 153 HD3 LYS 18 1HD LYS 18 5.022 -6.164 -4.356 154 HE2 LYS 18 2HE LYS 18 5.855 -8.416 -5.007 155 HE3 LYS 18 1HE LYS 18 4.630 -8.427 -6.283 156 HZ1 LYS 18 1HZ LYS 18 6.822 -7.585 -7.054 157 HZ2 LYS 18 2HZ LYS 18 6.669 -6.321 -5.928 158 HZ3 LYS 18 3HZ LYS 18 5.593 -6.434 -7.205 159 H ARG 19 H ARG 19 2.663 -5.709 0.133 160 HA ARG 19 HA ARG 19 1.245 -3.317 -0.146 161 HB2 ARG 19 2HB ARG 19 0.654 -5.053 1.474 162 HB3 ARG 19 1HB ARG 19 2.148 -4.761 2.346 163 HG2 ARG 19 2HG ARG 19 1.397 -2.561 2.971 164 HG3 ARG 19 1HG ARG 19 -0.068 -2.758 2.003 165 HD2 ARG 19 2HD ARG 19 0.721 -4.490 4.337 166 HD3 ARG 19 1HD ARG 19 -0.451 -3.174 4.407 167 HE ARG 19 HE ARG 19 -1.435 -4.689 2.439 168 HH11 ARG 19 1HH1 ARG 19 -0.230 -5.705 5.608 169 HH12 ARG 19 2HH1 ARG 19 -1.431 -6.892 5.815 170 HH21 ARG 19 1HH2 ARG 19 -3.094 -6.213 2.785 171 HH22 ARG 19 2HH2 ARG 19 -3.111 -7.189 4.200 172 H GLU 20 H GLU 20 4.345 -4.040 1.475 173 HA GLU 20 HA GLU 20 4.888 -1.387 2.254 174 HB2 GLU 20 2HB GLU 20 6.799 -3.664 1.715 175 HB3 GLU 20 1HB GLU 20 7.264 -2.142 2.452 176 HG2 GLU 20 2HG GLU 20 5.346 -4.170 3.567 177 HG3 GLU 20 1HG GLU 20 6.980 -3.844 4.134 178 H GLU 21 H GLU 21 5.628 -3.175 -0.680 179 HA GLU 21 HA GLU 21 7.244 -1.339 -1.993 180 HB2 GLU 21 2HB GLU 21 5.171 -3.210 -3.108 181 HB3 GLU 21 1HB GLU 21 6.213 -2.231 -4.123 182 HG2 GLU 21 2HG GLU 21 8.174 -3.369 -3.156 183 HG3 GLU 21 1HG GLU 21 7.093 -4.360 -2.176 184 H CYS 22 H CYS 22 3.693 -1.536 -2.011 185 HA CYS 22 HA CYS 22 3.549 0.842 -3.550 186 HB2 CYS 22 2HB CYS 22 1.674 -0.737 -3.648 187 HB3 CYS 22 1HB CYS 22 1.339 -0.444 -1.940 188 H LYS 23 H LYS 23 3.305 0.175 -0.083 189 HA LYS 23 HA LYS 23 2.460 2.681 0.803 190 HB2 LYS 23 2HB LYS 23 4.125 0.577 2.132 191 HB3 LYS 23 1HB LYS 23 3.676 2.070 2.938 192 HG2 LYS 23 2HG LYS 23 1.354 1.533 2.806 193 HG3 LYS 23 1HG LYS 23 1.684 0.149 1.763 194 HD2 LYS 23 2HD LYS 23 1.240 -0.519 4.099 195 HD3 LYS 23 1HD LYS 23 2.851 -0.979 3.556 196 HE2 LYS 23 2HE LYS 23 3.758 1.026 4.695 197 HE3 LYS 23 1HE LYS 23 2.140 1.374 5.310 198 HZ1 LYS 23 1HZ LYS 23 2.176 -0.713 6.485 199 HZ2 LYS 23 2HZ LYS 23 3.547 0.160 6.908 200 HZ3 LYS 23 3HZ LYS 23 3.656 -1.117 5.791 201 H ARG 24 H ARG 24 5.610 1.667 -0.191 202 HA ARG 24 HA ARG 24 7.097 3.782 0.939 203 HB2 ARG 24 2HB ARG 24 8.154 1.744 0.103 204 HB3 ARG 24 1HB ARG 24 7.635 2.123 -1.530 205 HG2 ARG 24 2HG ARG 24 9.071 4.088 -1.544 206 HG3 ARG 24 1HG ARG 24 9.570 3.743 0.111 207 HD2 ARG 24 2HD ARG 24 10.572 1.672 -0.578 208 HD3 ARG 24 1HD ARG 24 9.973 1.884 -2.223 209 HE ARG 24 HE ARG 24 11.553 4.078 -1.381 210 HH11 ARG 24 1HH1 ARG 24 11.913 0.705 -2.380 211 HH12 ARG 24 2HH1 ARG 24 13.350 0.972 -3.238 212 HH21 ARG 24 1HH2 ARG 24 13.568 4.429 -2.539 213 HH22 ARG 24 2HH2 ARG 24 14.309 3.106 -3.319 214 H LYS 25 H LYS 25 5.075 3.581 -1.842 215 HA LYS 25 HA LYS 25 5.976 6.190 -2.815 216 HB2 LYS 25 2HB LYS 25 5.807 4.382 -4.468 217 HB3 LYS 25 1HB LYS 25 4.119 4.151 -4.036 218 HG2 LYS 25 2HG LYS 25 3.589 6.383 -4.873 219 HG3 LYS 25 1HG LYS 25 5.282 6.636 -5.287 220 HD2 LYS 25 2HD LYS 25 4.008 6.014 -7.261 221 HD3 LYS 25 1HD LYS 25 5.165 4.748 -6.857 222 HE2 LYS 25 2HE LYS 25 3.392 3.435 -5.815 223 HE3 LYS 25 1HE LYS 25 2.226 4.714 -6.150 224 HZ1 LYS 25 1HZ LYS 25 2.579 4.342 -8.517 225 HZ2 LYS 25 2HZ LYS 25 2.140 2.900 -7.776 226 HZ3 LYS 25 3HZ LYS 25 3.736 3.179 -8.182 227 H ALA 26 H ALA 26 3.270 4.482 -1.452 228 HA ALA 26 HA ALA 26 1.325 6.483 -1.837 229 HB1 ALA 26 1HB ALA 26 1.343 4.234 0.164 230 HB2 ALA 26 2HB ALA 26 0.767 4.115 -1.498 231 HB3 ALA 26 3HB ALA 26 -0.062 5.166 -0.348 Start of MODEL 4 1 H HIS 1 H HIS 1 1.208 8.999 -2.499 2 HA HIS 1 HA HIS 1 2.521 9.602 0.082 3 HB2 HIS 1 2HB HIS 1 1.448 11.545 -1.979 4 HB3 HIS 1 1HB HIS 1 2.257 11.980 -0.479 5 HD1 HIS 1 1HD HIS 1 2.949 11.584 -3.977 6 HD2 HIS 1 2HD HIS 1 5.003 10.814 -0.450 7 HE1 HIS 1 1HE HIS 1 5.376 11.426 -4.617 8 H ASP 2 H ASP 2 -0.440 9.104 -1.497 9 HA ASP 2 HA ASP 2 -2.225 10.614 0.070 10 HB2 ASP 2 2HB ASP 2 -2.684 7.954 -1.322 11 HB3 ASP 2 1HB ASP 2 -3.949 9.003 -0.705 12 HA PRO 3 HA PRO 3 -1.875 8.479 3.988 13 HB2 PRO 3 2HB PRO 3 -4.432 8.947 4.924 14 HB3 PRO 3 1HB PRO 3 -3.113 10.117 5.014 15 HG2 PRO 3 2HG PRO 3 -5.322 9.907 3.010 16 HG3 PRO 3 1HG PRO 3 -4.657 11.352 3.794 17 HD2 PRO 3 2HD PRO 3 -3.990 10.719 1.291 18 HD3 PRO 3 1HD PRO 3 -2.786 11.386 2.417 19 H GLU 4 H GLU 4 -4.334 7.823 1.708 20 HA GLU 4 HA GLU 4 -5.412 5.477 2.940 21 HB2 GLU 4 2HB GLU 4 -5.689 6.616 0.190 22 HB3 GLU 4 1HB GLU 4 -6.522 5.175 0.749 23 HG2 GLU 4 2HG GLU 4 -7.676 6.452 2.424 24 HG3 GLU 4 1HG GLU 4 -6.775 7.902 1.971 25 H LYS 5 H LYS 5 -2.542 6.041 1.248 26 HA LYS 5 HA LYS 5 -2.262 4.020 -0.580 27 HB2 LYS 5 2HB LYS 5 0.184 4.175 -0.209 28 HB3 LYS 5 1HB LYS 5 -0.594 5.743 -0.251 29 HG2 LYS 5 2HG LYS 5 -0.533 5.833 2.211 30 HG3 LYS 5 1HG LYS 5 0.328 4.293 2.223 31 HD2 LYS 5 2HD LYS 5 2.150 5.316 0.928 32 HD3 LYS 5 1HD LYS 5 1.262 6.832 0.905 33 HE2 LYS 5 2HE LYS 5 1.404 7.022 3.296 34 HE3 LYS 5 1HE LYS 5 2.167 5.442 3.413 35 HZ1 LYS 5 1HZ LYS 5 3.816 7.155 3.573 36 HZ2 LYS 5 2HZ LYS 5 3.356 7.869 2.137 37 HZ3 LYS 5 3HZ LYS 5 4.056 6.338 2.137 38 H ARG 6 H ARG 6 -1.755 3.761 2.858 39 HA ARG 6 HA ARG 6 -0.890 1.097 2.886 40 HB2 ARG 6 2HB ARG 6 -1.593 1.198 5.350 41 HB3 ARG 6 1HB ARG 6 -0.369 2.336 4.817 42 HG2 ARG 6 2HG ARG 6 -2.067 4.106 4.683 43 HG3 ARG 6 1HG ARG 6 -3.297 2.960 5.211 44 HD2 ARG 6 2HD ARG 6 -2.228 2.727 7.354 45 HD3 ARG 6 1HD ARG 6 -0.851 3.685 6.815 46 HE ARG 6 HE ARG 6 -2.503 5.529 6.553 47 HH11 ARG 6 1HH1 ARG 6 -2.995 2.992 9.015 48 HH12 ARG 6 2HH1 ARG 6 -3.865 4.003 10.063 49 HH21 ARG 6 1HH2 ARG 6 -3.692 6.904 8.046 50 HH22 ARG 6 2HH2 ARG 6 -4.293 6.263 9.499 51 H LYS 7 H LYS 7 -4.102 2.460 3.483 52 HA LYS 7 HA LYS 7 -5.402 -0.017 3.956 53 HB2 LYS 7 2HB LYS 7 -6.221 2.243 4.693 54 HB3 LYS 7 1HB LYS 7 -6.534 2.577 2.988 55 HG2 LYS 7 2HG LYS 7 -8.588 2.015 4.125 56 HG3 LYS 7 1HG LYS 7 -8.174 0.813 2.907 57 HD2 LYS 7 2HD LYS 7 -7.353 -0.695 4.622 58 HD3 LYS 7 1HD LYS 7 -7.658 0.524 5.864 59 HE2 LYS 7 2HE LYS 7 -9.429 -1.172 5.791 60 HE3 LYS 7 1HE LYS 7 -10.040 0.433 5.401 61 HZ1 LYS 7 1HZ LYS 7 -9.357 -1.661 3.405 62 HZ2 LYS 7 2HZ LYS 7 -10.072 -0.148 3.072 63 HZ3 LYS 7 3HZ LYS 7 -10.903 -1.301 3.942 64 H GLU 8 H GLU 8 -5.064 2.065 1.162 65 HA GLU 8 HA GLU 8 -6.770 0.801 -0.576 66 HB2 GLU 8 2HB GLU 8 -5.770 3.016 -0.950 67 HB3 GLU 8 1HB GLU 8 -4.195 2.275 -1.158 68 HG2 GLU 8 2HG GLU 8 -5.078 2.857 -3.305 69 HG3 GLU 8 1HG GLU 8 -5.048 1.103 -3.147 70 H CYS 9 H CYS 9 -3.297 0.391 0.023 71 HA CYS 9 HA CYS 9 -3.231 -1.664 -1.911 72 HB2 CYS 9 2HB CYS 9 -1.073 -0.467 -0.220 73 HB3 CYS 9 1HB CYS 9 -0.782 -1.829 -1.311 74 H GLU 10 H GLU 10 -3.756 -1.637 1.460 75 HA GLU 10 HA GLU 10 -3.191 -4.412 1.760 76 HB2 GLU 10 2HB GLU 10 -4.965 -2.594 3.397 77 HB3 GLU 10 1HB GLU 10 -4.605 -4.261 3.820 78 HG2 GLU 10 2HG GLU 10 -2.223 -3.690 3.939 79 HG3 GLU 10 1HG GLU 10 -2.628 -2.013 3.583 80 H LYS 11 H LYS 11 -5.970 -2.548 0.699 81 HA LYS 11 HA LYS 11 -7.463 -5.007 0.495 82 HB2 LYS 11 2HB LYS 11 -9.366 -3.695 -0.337 83 HB3 LYS 11 1HB LYS 11 -8.745 -3.061 1.161 84 HG2 LYS 11 2HG LYS 11 -7.631 -1.250 -0.109 85 HG3 LYS 11 1HG LYS 11 -8.381 -1.875 -1.586 86 HD2 LYS 11 2HD LYS 11 -10.599 -1.592 -0.590 87 HD3 LYS 11 1HD LYS 11 -9.865 -0.999 0.892 88 HE2 LYS 11 2HE LYS 11 -10.715 0.860 -0.368 89 HE3 LYS 11 1HE LYS 11 -8.959 0.927 -0.384 90 HZ1 LYS 11 1HZ LYS 11 -8.917 0.244 -2.637 91 HZ2 LYS 11 2HZ LYS 11 -10.151 1.384 -2.516 92 HZ3 LYS 11 3HZ LYS 11 -10.543 -0.247 -2.591 93 H LYS 12 H LYS 12 -5.362 -3.307 -1.484 94 HA LYS 12 HA LYS 12 -6.307 -4.628 -3.893 95 HB2 LYS 12 2HB LYS 12 -3.906 -2.895 -3.408 96 HB3 LYS 12 1HB LYS 12 -4.196 -3.710 -4.927 97 HG2 LYS 12 2HG LYS 12 -6.317 -2.477 -5.150 98 HG3 LYS 12 1HG LYS 12 -5.938 -1.617 -3.653 99 HD2 LYS 12 2HD LYS 12 -3.925 -0.710 -4.619 100 HD3 LYS 12 1HD LYS 12 -4.156 -1.666 -6.079 101 HE2 LYS 12 2HE LYS 12 -5.990 0.512 -5.096 102 HE3 LYS 12 1HE LYS 12 -4.801 0.673 -6.387 103 HZ1 LYS 12 1HZ LYS 12 -6.040 -1.101 -7.589 104 HZ2 LYS 12 2HZ LYS 12 -6.887 0.319 -7.364 105 HZ3 LYS 12 3HZ LYS 12 -7.247 -1.012 -6.399 106 H TYR 13 H TYR 13 -3.616 -5.082 -1.613 107 HA TYR 13 HA TYR 13 -2.826 -7.430 -3.204 108 HB2 TYR 13 2HB TYR 13 -1.030 -5.749 -1.446 109 HB3 TYR 13 1HB TYR 13 -0.545 -7.072 -2.488 110 HD1 TYR 13 1HD TYR 13 -1.503 -3.584 -2.315 111 HD2 TYR 13 2HD TYR 13 -0.294 -6.696 -4.928 112 HE1 TYR 13 1HE TYR 13 -0.998 -1.915 -4.039 113 HE2 TYR 13 2HE TYR 13 0.207 -5.040 -6.677 114 HH TYR 13 HH TYR 13 0.318 -1.664 -5.999 115 H THR 14 H THR 14 -1.929 -9.169 -1.928 116 HA THR 14 HA THR 14 -2.946 -9.236 0.806 117 HB THR 14 HB THR 14 -2.482 -11.754 0.470 118 HG1 THR 14 1HG THR 14 -1.455 -12.054 -1.329 119 HG21 THR 14 1HG2 THR 14 -4.609 -10.403 -1.197 120 HG22 THR 14 2HG2 THR 14 -4.745 -10.821 0.513 121 HG23 THR 14 3HG2 THR 14 -4.624 -12.095 -0.702 122 H ASP 15 H ASP 15 -0.172 -9.530 -1.239 123 HA ASP 15 HA ASP 15 1.653 -10.563 0.639 124 HB2 ASP 15 2HB ASP 15 2.098 -10.822 -1.705 125 HB3 ASP 15 1HB ASP 15 2.032 -9.086 -1.963 126 HA PRO 16 HA PRO 16 2.078 -6.886 3.064 127 HB2 PRO 16 2HB PRO 16 4.314 -7.648 4.449 128 HB3 PRO 16 1HB PRO 16 2.676 -8.169 4.851 129 HG2 PRO 16 2HG PRO 16 4.794 -9.609 3.314 130 HG3 PRO 16 1HG PRO 16 3.661 -10.238 4.523 131 HD2 PRO 16 2HD PRO 16 3.271 -10.606 1.898 132 HD3 PRO 16 1HD PRO 16 1.919 -10.353 3.023 133 H LYS 17 H LYS 17 4.667 -8.119 1.018 134 HA LYS 17 HA LYS 17 6.399 -5.896 1.473 135 HB2 LYS 17 2HB LYS 17 6.319 -7.734 -0.924 136 HB3 LYS 17 1HB LYS 17 7.637 -6.664 -0.478 137 HG2 LYS 17 2HG LYS 17 6.695 -9.068 1.063 138 HG3 LYS 17 1HG LYS 17 8.149 -8.959 0.070 139 HD2 LYS 17 2HD LYS 17 8.980 -7.181 1.584 140 HD3 LYS 17 1HD LYS 17 7.561 -7.435 2.603 141 HE2 LYS 17 2HE LYS 17 9.683 -9.477 1.950 142 HE3 LYS 17 1HE LYS 17 9.484 -8.637 3.485 143 HZ1 LYS 17 1HZ LYS 17 7.330 -9.739 3.756 144 HZ2 LYS 17 2HZ LYS 17 8.560 -10.848 3.594 145 HZ3 LYS 17 3HZ LYS 17 7.540 -10.560 2.294 146 H LYS 18 H LYS 18 3.905 -6.692 -0.832 147 HA LYS 18 HA LYS 18 4.184 -4.448 -2.541 148 HB2 LYS 18 2HB LYS 18 1.647 -5.940 -1.866 149 HB3 LYS 18 1HB LYS 18 1.939 -4.970 -3.300 150 HG2 LYS 18 2HG LYS 18 3.403 -7.492 -2.592 151 HG3 LYS 18 1HG LYS 18 2.046 -7.390 -3.713 152 HD2 LYS 18 2HD LYS 18 3.305 -6.073 -5.225 153 HD3 LYS 18 1HD LYS 18 4.615 -5.848 -4.057 154 HE2 LYS 18 2HE LYS 18 3.762 -8.500 -5.209 155 HE3 LYS 18 1HE LYS 18 5.125 -7.545 -5.792 156 HZ1 LYS 18 1HZ LYS 18 4.911 -8.568 -2.980 157 HZ2 LYS 18 2HZ LYS 18 6.243 -7.828 -3.726 158 HZ3 LYS 18 3HZ LYS 18 5.739 -9.332 -4.233 159 H ARG 19 H ARG 19 2.416 -5.038 0.393 160 HA ARG 19 HA ARG 19 0.969 -2.642 0.666 161 HB2 ARG 19 2HB ARG 19 0.633 -4.616 2.087 162 HB3 ARG 19 1HB ARG 19 2.238 -4.417 2.759 163 HG2 ARG 19 2HG ARG 19 1.445 -2.181 3.650 164 HG3 ARG 19 1HG ARG 19 -0.188 -2.694 3.202 165 HD2 ARG 19 2HD ARG 19 0.123 -4.733 4.541 166 HD3 ARG 19 1HD ARG 19 1.697 -4.142 5.063 167 HE ARG 19 HE ARG 19 -0.937 -3.182 5.854 168 HH11 ARG 19 1HH1 ARG 19 2.613 -2.746 6.162 169 HH12 ARG 19 2HH1 ARG 19 2.494 -2.004 7.667 170 HH21 ARG 19 1HH2 ARG 19 -1.022 -2.150 7.945 171 HH22 ARG 19 2HH2 ARG 19 0.418 -1.638 8.694 172 H GLU 20 H GLU 20 4.138 -3.609 1.928 173 HA GLU 20 HA GLU 20 4.809 -1.173 3.131 174 HB2 GLU 20 2HB GLU 20 6.666 -3.291 2.079 175 HB3 GLU 20 1HB GLU 20 7.097 -2.031 3.223 176 HG2 GLU 20 2HG GLU 20 5.179 -4.298 3.652 177 HG3 GLU 20 1HG GLU 20 6.772 -4.107 4.372 178 H GLU 21 H GLU 21 5.750 -2.477 -0.053 179 HA GLU 21 HA GLU 21 7.213 -0.201 -0.781 180 HB2 GLU 21 2HB GLU 21 6.278 -2.606 -2.171 181 HB3 GLU 21 1HB GLU 21 6.451 -1.193 -3.199 182 HG2 GLU 21 2HG GLU 21 8.478 -2.561 -3.208 183 HG3 GLU 21 1HG GLU 21 8.778 -0.966 -2.542 184 H CYS 22 H CYS 22 3.793 -0.914 -1.059 185 HA CYS 22 HA CYS 22 3.198 1.259 -2.762 186 HB2 CYS 22 2HB CYS 22 1.581 -0.537 -2.394 187 HB3 CYS 22 1HB CYS 22 1.472 -0.108 -0.690 188 H LYS 23 H LYS 23 3.316 0.867 0.721 189 HA LYS 23 HA LYS 23 2.556 3.444 1.517 190 HB2 LYS 23 2HB LYS 23 2.612 1.513 3.025 191 HB3 LYS 23 1HB LYS 23 4.347 1.384 2.816 192 HG2 LYS 23 2HG LYS 23 4.676 3.463 4.025 193 HG3 LYS 23 1HG LYS 23 2.932 3.689 4.149 194 HD2 LYS 23 2HD LYS 23 3.903 2.801 6.244 195 HD3 LYS 23 1HD LYS 23 2.735 1.691 5.531 196 HE2 LYS 23 2HE LYS 23 4.561 0.353 4.606 197 HE3 LYS 23 1HE LYS 23 5.737 1.489 5.264 198 HZ1 LYS 23 1HZ LYS 23 5.127 0.856 7.461 199 HZ2 LYS 23 2HZ LYS 23 5.404 -0.571 6.584 200 HZ3 LYS 23 3HZ LYS 23 3.837 -0.081 6.922 201 H ARG 24 H ARG 24 5.431 2.177 0.213 202 HA ARG 24 HA ARG 24 7.229 4.336 0.962 203 HB2 ARG 24 2HB ARG 24 7.842 1.934 0.930 204 HB3 ARG 24 1HB ARG 24 7.520 1.904 -0.785 205 HG2 ARG 24 2HG ARG 24 9.388 3.481 -1.115 206 HG3 ARG 24 1HG ARG 24 9.738 3.371 0.618 207 HD2 ARG 24 2HD ARG 24 9.914 0.908 0.382 208 HD3 ARG 24 1HD ARG 24 9.700 1.089 -1.350 209 HE ARG 24 HE ARG 24 11.832 2.679 -0.662 210 HH11 ARG 24 1HH1 ARG 24 11.019 -0.787 -0.602 211 HH12 ARG 24 2HH1 ARG 24 12.654 -1.285 -0.674 212 HH21 ARG 24 1HH2 ARG 24 14.082 1.923 -0.753 213 HH22 ARG 24 2HH2 ARG 24 14.390 0.242 -0.750 214 H LYS 25 H LYS 25 4.947 3.724 -1.475 215 HA LYS 25 HA LYS 25 6.448 5.205 -3.516 216 HB2 LYS 25 2HB LYS 25 5.779 2.965 -4.203 217 HB3 LYS 25 1HB LYS 25 4.105 3.331 -3.822 218 HG2 LYS 25 2HG LYS 25 4.048 4.998 -5.591 219 HG3 LYS 25 1HG LYS 25 5.742 4.677 -5.960 220 HD2 LYS 25 2HD LYS 25 5.183 2.376 -6.556 221 HD3 LYS 25 1HD LYS 25 3.492 2.678 -6.155 222 HE2 LYS 25 2HE LYS 25 3.881 2.801 -8.573 223 HE3 LYS 25 1HE LYS 25 3.348 4.345 -7.918 224 HZ1 LYS 25 1HZ LYS 25 5.184 4.583 -9.495 225 HZ2 LYS 25 2HZ LYS 25 6.176 3.639 -8.517 226 HZ3 LYS 25 3HZ LYS 25 5.611 5.135 -7.971 227 H ALA 26 H ALA 26 3.127 4.888 -2.262 228 HA ALA 26 HA ALA 26 2.373 7.306 -3.652 229 HB1 ALA 26 1HB ALA 26 0.812 5.435 -3.593 230 HB2 ALA 26 2HB ALA 26 0.118 6.845 -2.787 231 HB3 ALA 26 3HB ALA 26 0.776 5.513 -1.836 Start of MODEL 5 1 H HIS 1 H HIS 1 1.849 8.592 -0.828 2 HA HIS 1 HA HIS 1 2.454 7.840 1.959 3 HB2 HIS 1 2HB HIS 1 2.641 10.564 0.662 4 HB3 HIS 1 1HB HIS 1 2.808 10.286 2.388 5 HD1 HIS 1 1HD HIS 1 5.068 11.495 0.482 6 HD2 HIS 1 2HD HIS 1 4.809 7.578 1.847 7 HE1 HIS 1 1HE HIS 1 7.401 10.615 0.456 8 H ASP 2 H ASP 2 0.098 8.876 -0.203 9 HA ASP 2 HA ASP 2 -1.620 10.199 1.630 10 HB2 ASP 2 2HB ASP 2 -2.179 8.941 -1.065 11 HB3 ASP 2 1HB ASP 2 -3.399 9.770 -0.115 12 HA PRO 3 HA PRO 3 -2.977 6.677 3.843 13 HB2 PRO 3 2HB PRO 3 -5.338 7.695 4.815 14 HB3 PRO 3 1HB PRO 3 -3.755 8.065 5.502 15 HG2 PRO 3 2HG PRO 3 -5.433 9.659 3.628 16 HG3 PRO 3 1HG PRO 3 -4.443 10.210 4.991 17 HD2 PRO 3 2HD PRO 3 -3.663 10.421 2.405 18 HD3 PRO 3 1HD PRO 3 -2.505 10.191 3.732 19 H GLU 4 H GLU 4 -4.960 8.239 1.485 20 HA GLU 4 HA GLU 4 -7.034 6.326 1.245 21 HB2 GLU 4 2HB GLU 4 -5.842 8.105 -0.865 22 HB3 GLU 4 1HB GLU 4 -7.400 7.305 -0.969 23 HG2 GLU 4 2HG GLU 4 -6.649 9.449 1.001 24 HG3 GLU 4 1HG GLU 4 -7.592 9.693 -0.465 25 H LYS 5 H LYS 5 -4.056 6.885 -0.611 26 HA LYS 5 HA LYS 5 -4.391 4.622 -2.249 27 HB2 LYS 5 2HB LYS 5 -2.879 6.689 -2.760 28 HB3 LYS 5 1HB LYS 5 -1.757 5.939 -1.661 29 HG2 LYS 5 2HG LYS 5 -1.168 5.415 -3.962 30 HG3 LYS 5 1HG LYS 5 -1.592 3.960 -3.058 31 HD2 LYS 5 2HD LYS 5 -3.886 4.086 -4.047 32 HD3 LYS 5 1HD LYS 5 -3.338 5.450 -5.021 33 HE2 LYS 5 2HE LYS 5 -1.690 4.013 -6.095 34 HE3 LYS 5 1HE LYS 5 -2.187 2.666 -5.074 35 HZ1 LYS 5 1HZ LYS 5 -3.293 2.450 -7.182 36 HZ2 LYS 5 2HZ LYS 5 -3.866 4.031 -7.115 37 HZ3 LYS 5 3HZ LYS 5 -4.417 2.884 -6.007 38 H ARG 6 H ARG 6 -2.557 5.229 0.703 39 HA ARG 6 HA ARG 6 -1.168 2.806 0.890 40 HB2 ARG 6 2HB ARG 6 -0.946 4.854 2.405 41 HB3 ARG 6 1HB ARG 6 -2.360 4.249 3.257 42 HG2 ARG 6 2HG ARG 6 -0.909 2.038 3.373 43 HG3 ARG 6 1HG ARG 6 0.418 3.188 3.207 44 HD2 ARG 6 2HD ARG 6 0.056 2.896 5.537 45 HD3 ARG 6 1HD ARG 6 -0.630 4.472 5.120 46 HE ARG 6 HE ARG 6 -2.369 2.104 5.189 47 HH11 ARG 6 1HH1 ARG 6 -1.517 5.210 6.690 48 HH12 ARG 6 2HH1 ARG 6 -2.977 5.314 7.533 49 HH21 ARG 6 1HH2 ARG 6 -4.226 2.214 6.314 50 HH22 ARG 6 2HH2 ARG 6 -4.628 3.532 7.327 51 H LYS 7 H LYS 7 -4.397 3.738 2.008 52 HA LYS 7 HA LYS 7 -5.108 1.377 3.350 53 HB2 LYS 7 2HB LYS 7 -6.328 3.586 3.452 54 HB3 LYS 7 1HB LYS 7 -6.941 3.209 1.843 55 HG2 LYS 7 2HG LYS 7 -8.633 2.690 3.475 56 HG3 LYS 7 1HG LYS 7 -8.036 1.207 2.735 57 HD2 LYS 7 2HD LYS 7 -6.615 0.786 4.664 58 HD3 LYS 7 1HD LYS 7 -7.151 2.303 5.392 59 HE2 LYS 7 2HE LYS 7 -9.446 1.442 5.435 60 HE3 LYS 7 1HE LYS 7 -8.878 -0.082 4.751 61 HZ1 LYS 7 1HZ LYS 7 -7.506 -0.388 6.734 62 HZ2 LYS 7 2HZ LYS 7 -9.132 -0.225 7.131 63 HZ3 LYS 7 3HZ LYS 7 -8.081 1.065 7.369 64 H GLU 8 H GLU 8 -5.655 2.471 0.036 65 HA GLU 8 HA GLU 8 -7.113 0.322 -0.876 66 HB2 GLU 8 2HB GLU 8 -6.893 2.269 -2.275 67 HB3 GLU 8 1HB GLU 8 -5.147 2.072 -2.369 68 HG2 GLU 8 2HG GLU 8 -5.464 -0.020 -3.603 69 HG3 GLU 8 1HG GLU 8 -7.204 0.207 -3.532 70 H CYS 9 H CYS 9 -3.623 0.817 -0.798 71 HA CYS 9 HA CYS 9 -2.972 -1.589 -2.018 72 HB2 CYS 9 2HB CYS 9 -1.334 0.142 -0.189 73 HB3 CYS 9 1HB CYS 9 -0.692 -1.234 -1.080 74 H GLU 10 H GLU 10 -3.419 -0.765 1.388 75 HA GLU 10 HA GLU 10 -2.447 -3.197 2.464 76 HB2 GLU 10 2HB GLU 10 -4.521 -1.318 3.588 77 HB3 GLU 10 1HB GLU 10 -3.731 -2.606 4.478 78 HG2 GLU 10 2HG GLU 10 -1.585 -1.467 4.184 79 HG3 GLU 10 1HG GLU 10 -2.409 -0.166 3.319 80 H LYS 11 H LYS 11 -5.577 -2.170 1.300 81 HA LYS 11 HA LYS 11 -6.948 -4.476 2.298 82 HB2 LYS 11 2HB LYS 11 -8.017 -2.230 2.004 83 HB3 LYS 11 1HB LYS 11 -7.852 -2.405 0.274 84 HG2 LYS 11 2HG LYS 11 -9.488 -4.309 1.954 85 HG3 LYS 11 1HG LYS 11 -10.150 -2.834 1.269 86 HD2 LYS 11 2HD LYS 11 -9.638 -3.656 -0.987 87 HD3 LYS 11 1HD LYS 11 -8.927 -5.112 -0.294 88 HE2 LYS 11 2HE LYS 11 -11.205 -5.520 -1.090 89 HE3 LYS 11 1HE LYS 11 -11.082 -5.731 0.654 90 HZ1 LYS 11 1HZ LYS 11 -12.062 -3.544 0.952 91 HZ2 LYS 11 2HZ LYS 11 -13.065 -4.508 0.020 92 HZ3 LYS 11 3HZ LYS 11 -12.150 -3.314 -0.714 93 H LYS 12 H LYS 12 -5.931 -3.349 -0.890 94 HA LYS 12 HA LYS 12 -7.014 -5.650 -2.175 95 HB2 LYS 12 2HB LYS 12 -5.295 -3.440 -3.222 96 HB3 LYS 12 1HB LYS 12 -6.029 -4.694 -4.225 97 HG2 LYS 12 2HG LYS 12 -8.267 -3.904 -3.428 98 HG3 LYS 12 1HG LYS 12 -7.448 -2.605 -2.567 99 HD2 LYS 12 2HD LYS 12 -8.289 -1.766 -4.672 100 HD3 LYS 12 1HD LYS 12 -6.526 -1.807 -4.726 101 HE2 LYS 12 2HE LYS 12 -6.622 -3.920 -5.950 102 HE3 LYS 12 1HE LYS 12 -8.383 -3.871 -5.900 103 HZ1 LYS 12 1HZ LYS 12 -7.583 -3.124 -7.991 104 HZ2 LYS 12 2HZ LYS 12 -6.585 -1.965 -7.293 105 HZ3 LYS 12 3HZ LYS 12 -8.258 -1.787 -7.216 106 H TYR 13 H TYR 13 -3.779 -4.815 -1.053 107 HA TYR 13 HA TYR 13 -2.822 -7.227 -2.394 108 HB2 TYR 13 2HB TYR 13 -1.212 -4.967 -1.184 109 HB3 TYR 13 1HB TYR 13 -0.555 -6.382 -1.991 110 HD1 TYR 13 1HD TYR 13 -0.940 -6.656 -4.478 111 HD2 TYR 13 2HD TYR 13 -1.912 -3.125 -2.370 112 HE1 TYR 13 1HE TYR 13 -1.024 -5.444 -6.592 113 HE2 TYR 13 2HE TYR 13 -2.005 -1.864 -4.483 114 HH TYR 13 HH TYR 13 -0.988 -2.111 -6.757 115 H THR 14 H THR 14 -2.474 -8.918 -1.221 116 HA THR 14 HA THR 14 -2.541 -8.661 1.675 117 HB THR 14 HB THR 14 -2.521 -11.185 -0.008 118 HG1 THR 14 1HG THR 14 -4.580 -9.469 0.883 119 HG21 THR 14 1HG2 THR 14 -1.938 -11.508 2.375 120 HG22 THR 14 2HG2 THR 14 -3.511 -12.214 2.002 121 HG23 THR 14 3HG2 THR 14 -3.415 -10.666 2.843 122 H ASP 15 H ASP 15 -0.417 -9.314 -0.972 123 HA ASP 15 HA ASP 15 1.655 -10.643 0.372 124 HB2 ASP 15 2HB ASP 15 1.496 -10.681 -2.029 125 HB3 ASP 15 1HB ASP 15 1.639 -8.932 -2.105 126 HA PRO 16 HA PRO 16 3.089 -7.358 3.010 127 HB2 PRO 16 2HB PRO 16 5.648 -8.839 2.916 128 HB3 PRO 16 1HB PRO 16 4.677 -8.361 4.309 129 HG2 PRO 16 2HG PRO 16 4.757 -10.893 3.482 130 HG3 PRO 16 1HG PRO 16 3.271 -10.172 4.123 131 HD2 PRO 16 2HD PRO 16 4.010 -10.790 1.305 132 HD3 PRO 16 1HD PRO 16 2.441 -10.877 2.135 133 H LYS 17 H LYS 17 5.179 -8.492 0.363 134 HA LYS 17 HA LYS 17 6.850 -6.219 0.463 135 HB2 LYS 17 2HB LYS 17 7.580 -8.344 -0.550 136 HB3 LYS 17 1HB LYS 17 6.407 -8.131 -1.835 137 HG2 LYS 17 2HG LYS 17 8.643 -7.551 -2.599 138 HG3 LYS 17 1HG LYS 17 7.596 -6.136 -2.605 139 HD2 LYS 17 2HD LYS 17 9.813 -5.568 -1.755 140 HD3 LYS 17 1HD LYS 17 8.608 -5.386 -0.488 141 HE2 LYS 17 2HE LYS 17 10.626 -6.438 0.382 142 HE3 LYS 17 1HE LYS 17 9.278 -7.565 0.446 143 HZ1 LYS 17 1HZ LYS 17 11.281 -8.635 -0.350 144 HZ2 LYS 17 2HZ LYS 17 11.436 -7.538 -1.602 145 HZ3 LYS 17 3HZ LYS 17 10.136 -8.618 -1.579 146 H LYS 18 H LYS 18 3.958 -6.977 -1.365 147 HA LYS 18 HA LYS 18 3.981 -4.692 -3.075 148 HB2 LYS 18 2HB LYS 18 1.535 -6.070 -1.972 149 HB3 LYS 18 1HB LYS 18 1.618 -5.097 -3.431 150 HG2 LYS 18 2HG LYS 18 3.010 -7.714 -2.994 151 HG3 LYS 18 1HG LYS 18 1.494 -7.500 -3.869 152 HD2 LYS 18 2HD LYS 18 2.564 -6.274 -5.560 153 HD3 LYS 18 1HD LYS 18 4.073 -6.147 -4.634 154 HE2 LYS 18 2HE LYS 18 2.846 -8.721 -5.647 155 HE3 LYS 18 1HE LYS 18 4.199 -7.879 -6.401 156 HZ1 LYS 18 1HZ LYS 18 4.819 -9.764 -4.893 157 HZ2 LYS 18 2HZ LYS 18 4.316 -8.837 -3.568 158 HZ3 LYS 18 3HZ LYS 18 5.556 -8.302 -4.560 159 H ARG 19 H ARG 19 2.618 -5.303 0.083 160 HA ARG 19 HA ARG 19 1.306 -2.822 0.437 161 HB2 ARG 19 2HB ARG 19 0.831 -4.934 1.684 162 HB3 ARG 19 1HB ARG 19 2.362 -4.754 2.514 163 HG2 ARG 19 2HG ARG 19 1.574 -2.747 3.610 164 HG3 ARG 19 1HG ARG 19 0.064 -2.812 2.694 165 HD2 ARG 19 2HD ARG 19 -0.415 -5.017 3.699 166 HD3 ARG 19 1HD ARG 19 1.044 -4.876 4.671 167 HE ARG 19 HE ARG 19 -0.265 -2.651 5.331 168 HH11 ARG 19 1HH1 ARG 19 -1.304 -6.062 5.254 169 HH12 ARG 19 2HH1 ARG 19 -2.536 -5.821 6.415 170 HH21 ARG 19 1HH2 ARG 19 -2.003 -2.369 6.878 171 HH22 ARG 19 2HH2 ARG 19 -2.911 -3.720 7.376 172 H GLU 20 H GLU 20 4.456 -4.056 1.418 173 HA GLU 20 HA GLU 20 5.460 -1.832 2.783 174 HB2 GLU 20 2HB GLU 20 6.449 -4.057 2.856 175 HB3 GLU 20 1HB GLU 20 6.866 -3.937 1.156 176 HG2 GLU 20 2HG GLU 20 8.331 -2.024 1.707 177 HG3 GLU 20 1HG GLU 20 7.988 -2.312 3.414 178 H GLU 21 H GLU 21 5.843 -2.846 -0.627 179 HA GLU 21 HA GLU 21 7.398 -0.804 -1.572 180 HB2 GLU 21 2HB GLU 21 6.873 -2.866 -2.768 181 HB3 GLU 21 1HB GLU 21 5.191 -2.358 -2.872 182 HG2 GLU 21 2HG GLU 21 5.833 -0.475 -4.204 183 HG3 GLU 21 1HG GLU 21 7.522 -1.001 -4.118 184 H CYS 22 H CYS 22 3.880 -1.094 -1.325 185 HA CYS 22 HA CYS 22 3.382 1.316 -2.623 186 HB2 CYS 22 2HB CYS 22 1.651 -0.419 -2.417 187 HB3 CYS 22 1HB CYS 22 1.550 -0.098 -0.688 188 H LYS 23 H LYS 23 3.714 0.597 0.878 189 HA LYS 23 HA LYS 23 3.005 3.276 1.566 190 HB2 LYS 23 2HB LYS 23 3.735 2.793 3.838 191 HB3 LYS 23 1HB LYS 23 2.785 1.458 3.208 192 HG2 LYS 23 2HG LYS 23 4.815 0.185 2.805 193 HG3 LYS 23 1HG LYS 23 5.789 1.536 3.377 194 HD2 LYS 23 2HD LYS 23 5.577 -0.114 5.136 195 HD3 LYS 23 1HD LYS 23 4.703 1.348 5.587 196 HE2 LYS 23 2HE LYS 23 2.594 0.309 4.936 197 HE3 LYS 23 1HE LYS 23 3.453 -1.140 4.415 198 HZ1 LYS 23 1HZ LYS 23 3.287 -0.078 7.177 199 HZ2 LYS 23 2HZ LYS 23 4.215 -1.415 6.704 200 HZ3 LYS 23 3HZ LYS 23 2.538 -1.469 6.582 201 H ARG 24 H ARG 24 5.880 1.934 0.362 202 HA ARG 24 HA ARG 24 7.508 4.165 1.277 203 HB2 ARG 24 2HB ARG 24 8.156 1.787 -0.469 204 HB3 ARG 24 1HB ARG 24 9.308 3.057 -0.084 205 HG2 ARG 24 2HG ARG 24 9.118 2.508 2.288 206 HG3 ARG 24 1HG ARG 24 7.965 1.233 1.896 207 HD2 ARG 24 2HD ARG 24 9.637 0.049 0.622 208 HD3 ARG 24 1HD ARG 24 10.790 1.362 0.851 209 HE ARG 24 HE ARG 24 10.123 0.631 3.368 210 HH11 ARG 24 1HH1 ARG 24 11.400 -1.174 0.606 211 HH12 ARG 24 2HH1 ARG 24 12.274 -2.286 1.555 212 HH21 ARG 24 1HH2 ARG 24 11.334 -0.875 4.664 213 HH22 ARG 24 2HH2 ARG 24 12.242 -2.112 3.920 214 H LYS 25 H LYS 25 5.268 3.779 -0.987 215 HA LYS 25 HA LYS 25 6.611 5.510 -2.950 216 HB2 LYS 25 2HB LYS 25 6.246 3.329 -3.900 217 HB3 LYS 25 1HB LYS 25 4.593 3.307 -3.325 218 HG2 LYS 25 2HG LYS 25 3.921 4.910 -4.944 219 HG3 LYS 25 1HG LYS 25 5.593 5.247 -5.395 220 HD2 LYS 25 2HD LYS 25 4.412 3.797 -7.031 221 HD3 LYS 25 1HD LYS 25 5.839 3.041 -6.337 222 HE2 LYS 25 2HE LYS 25 4.400 1.761 -4.797 223 HE3 LYS 25 1HE LYS 25 2.977 2.527 -5.496 224 HZ1 LYS 25 1HZ LYS 25 3.393 0.290 -6.424 225 HZ2 LYS 25 2HZ LYS 25 4.883 0.792 -7.001 226 HZ3 LYS 25 3HZ LYS 25 3.476 1.469 -7.605 227 H ALA 26 H ALA 26 3.469 4.594 -1.640 228 HA ALA 26 HA ALA 26 2.369 7.179 -2.356 229 HB1 ALA 26 1HB ALA 26 1.112 5.191 -2.982 230 HB2 ALA 26 2HB ALA 26 0.253 6.136 -1.764 231 HB3 ALA 26 3HB ALA 26 1.102 4.661 -1.298 Start of MODEL 6 1 H HIS 1 H HIS 1 1.351 8.807 -1.782 2 HA HIS 1 HA HIS 1 2.748 9.968 0.449 3 HB2 HIS 1 2HB HIS 1 0.799 11.223 -1.511 4 HB3 HIS 1 1HB HIS 1 1.848 12.094 -0.401 5 HD1 HIS 1 1HD HIS 1 1.666 11.465 -3.852 6 HD2 HIS 1 2HD HIS 1 4.721 11.130 -1.043 7 HE1 HIS 1 1HE HIS 1 3.805 11.547 -5.146 8 H ASP 2 H ASP 2 -0.514 9.300 -0.594 9 HA ASP 2 HA ASP 2 -1.669 10.316 1.859 10 HB2 ASP 2 2HB ASP 2 -2.921 8.953 -0.520 11 HB3 ASP 2 1HB ASP 2 -3.838 9.426 0.894 12 HA PRO 3 HA PRO 3 -1.352 6.394 3.980 13 HB2 PRO 3 2HB PRO 3 -3.361 6.857 5.812 14 HB3 PRO 3 1HB PRO 3 -1.720 7.491 5.975 15 HG2 PRO 3 2HG PRO 3 -4.182 8.843 4.945 16 HG3 PRO 3 1HG PRO 3 -2.919 9.481 6.014 17 HD2 PRO 3 2HD PRO 3 -2.999 10.087 3.392 18 HD3 PRO 3 1HD PRO 3 -1.453 9.868 4.251 19 H GLU 4 H GLU 4 -4.171 7.670 2.543 20 HA GLU 4 HA GLU 4 -5.924 5.462 2.836 21 HB2 GLU 4 2HB GLU 4 -5.889 7.634 0.739 22 HB3 GLU 4 1HB GLU 4 -7.245 6.576 1.108 23 HG2 GLU 4 2HG GLU 4 -7.419 7.513 3.324 24 HG3 GLU 4 1HG GLU 4 -6.007 8.526 3.034 25 H LYS 5 H LYS 5 -3.420 6.313 0.515 26 HA LYS 5 HA LYS 5 -4.304 4.358 -1.401 27 HB2 LYS 5 2HB LYS 5 -1.714 5.909 -1.327 28 HB3 LYS 5 1HB LYS 5 -2.304 4.965 -2.686 29 HG2 LYS 5 2HG LYS 5 -3.558 7.441 -1.533 30 HG3 LYS 5 1HG LYS 5 -2.701 7.304 -3.074 31 HD2 LYS 5 2HD LYS 5 -4.439 5.827 -3.912 32 HD3 LYS 5 1HD LYS 5 -5.247 5.869 -2.345 33 HE2 LYS 5 2HE LYS 5 -5.500 8.328 -2.611 34 HE3 LYS 5 1HE LYS 5 -4.830 8.166 -4.234 35 HZ1 LYS 5 1HZ LYS 5 -6.682 6.702 -4.792 36 HZ2 LYS 5 2HZ LYS 5 -7.229 8.210 -4.297 37 HZ3 LYS 5 3HZ LYS 5 -7.321 6.904 -3.246 38 H ARG 6 H ARG 6 -1.812 4.546 1.044 39 HA ARG 6 HA ARG 6 -0.592 2.087 0.319 40 HB2 ARG 6 2HB ARG 6 0.565 2.153 2.448 41 HB3 ARG 6 1HB ARG 6 0.515 3.783 1.797 42 HG2 ARG 6 2HG ARG 6 -1.363 4.300 3.280 43 HG3 ARG 6 1HG ARG 6 -1.263 2.672 3.940 44 HD2 ARG 6 2HD ARG 6 1.037 3.145 4.664 45 HD3 ARG 6 1HD ARG 6 0.853 4.800 4.070 46 HE ARG 6 HE ARG 6 -1.014 3.735 6.026 47 HH11 ARG 6 1HH1 ARG 6 1.435 6.156 5.171 48 HH12 ARG 6 2HH1 ARG 6 1.349 6.976 6.648 49 HH21 ARG 6 1HH2 ARG 6 -1.179 4.915 8.059 50 HH22 ARG 6 2HH2 ARG 6 -0.200 6.277 8.325 51 H LYS 7 H LYS 7 -3.288 2.952 2.377 52 HA LYS 7 HA LYS 7 -3.717 0.417 3.553 53 HB2 LYS 7 2HB LYS 7 -4.685 2.630 4.334 54 HB3 LYS 7 1HB LYS 7 -5.760 2.527 2.942 55 HG2 LYS 7 2HG LYS 7 -6.928 1.789 4.903 56 HG3 LYS 7 1HG LYS 7 -6.685 0.441 3.803 57 HD2 LYS 7 2HD LYS 7 -4.820 -0.379 5.119 58 HD3 LYS 7 1HD LYS 7 -4.925 1.016 6.192 59 HE2 LYS 7 2HE LYS 7 -7.139 0.288 6.913 60 HE3 LYS 7 1HE LYS 7 -7.050 -1.089 5.815 61 HZ1 LYS 7 1HZ LYS 7 -5.158 -1.910 7.034 62 HZ2 LYS 7 2HZ LYS 7 -6.462 -1.716 8.089 63 HZ3 LYS 7 3HZ LYS 7 -5.199 -0.603 8.093 64 H GLU 8 H GLU 8 -4.987 2.074 0.705 65 HA GLU 8 HA GLU 8 -6.641 0.011 0.008 66 HB2 GLU 8 2HB GLU 8 -5.567 2.324 -1.509 67 HB3 GLU 8 1HB GLU 8 -6.381 1.050 -2.404 68 HG2 GLU 8 2HG GLU 8 -7.533 2.651 -0.130 69 HG3 GLU 8 1HG GLU 8 -7.937 2.810 -1.841 70 H CYS 9 H CYS 9 -3.248 0.506 -0.671 71 HA CYS 9 HA CYS 9 -3.075 -1.704 -2.455 72 HB2 CYS 9 2HB CYS 9 -0.942 -0.259 -0.893 73 HB3 CYS 9 1HB CYS 9 -0.598 -1.557 -2.033 74 H GLU 10 H GLU 10 -2.839 -1.342 1.002 75 HA GLU 10 HA GLU 10 -1.903 -3.911 1.711 76 HB2 GLU 10 2HB GLU 10 -2.082 -1.913 3.227 77 HB3 GLU 10 1HB GLU 10 -3.819 -2.081 3.165 78 HG2 GLU 10 2HG GLU 10 -3.618 -4.315 4.173 79 HG3 GLU 10 1HG GLU 10 -1.887 -4.049 4.343 80 H LYS 11 H LYS 11 -4.952 -2.568 0.927 81 HA LYS 11 HA LYS 11 -6.542 -4.891 1.464 82 HB2 LYS 11 2HB LYS 11 -7.527 -2.779 1.827 83 HB3 LYS 11 1HB LYS 11 -6.993 -2.181 0.278 84 HG2 LYS 11 2HG LYS 11 -8.659 -3.420 -0.857 85 HG3 LYS 11 1HG LYS 11 -9.109 -4.283 0.627 86 HD2 LYS 11 2HD LYS 11 -10.026 -2.370 1.599 87 HD3 LYS 11 1HD LYS 11 -9.178 -1.291 0.494 88 HE2 LYS 11 2HE LYS 11 -11.402 -3.165 -0.299 89 HE3 LYS 11 1HE LYS 11 -11.608 -1.454 0.077 90 HZ1 LYS 11 1HZ LYS 11 -10.035 -2.599 -2.172 91 HZ2 LYS 11 2HZ LYS 11 -9.987 -0.976 -1.697 92 HZ3 LYS 11 3HZ LYS 11 -11.426 -1.619 -2.257 93 H LYS 12 H LYS 12 -5.314 -3.274 -1.426 94 HA LYS 12 HA LYS 12 -6.481 -4.891 -3.406 95 HB2 LYS 12 2HB LYS 12 -5.463 -2.679 -3.824 96 HB3 LYS 12 1HB LYS 12 -3.885 -3.351 -3.468 97 HG2 LYS 12 2HG LYS 12 -4.001 -4.759 -5.445 98 HG3 LYS 12 1HG LYS 12 -5.629 -4.169 -5.792 99 HD2 LYS 12 2HD LYS 12 -4.726 -1.871 -5.963 100 HD3 LYS 12 1HD LYS 12 -3.106 -2.509 -5.698 101 HE2 LYS 12 2HE LYS 12 -4.906 -3.279 -7.996 102 HE3 LYS 12 1HE LYS 12 -3.651 -2.054 -8.086 103 HZ1 LYS 12 1HZ LYS 12 -1.993 -3.781 -7.632 104 HZ2 LYS 12 2HZ LYS 12 -2.916 -4.149 -8.979 105 HZ3 LYS 12 3HZ LYS 12 -3.221 -4.946 -7.540 106 H TYR 13 H TYR 13 -3.273 -5.051 -1.897 107 HA TYR 13 HA TYR 13 -2.826 -7.631 -3.202 108 HB2 TYR 13 2HB TYR 13 -0.903 -5.830 -1.714 109 HB3 TYR 13 1HB TYR 13 -0.486 -7.338 -2.510 110 HD1 TYR 13 1HD TYR 13 -1.068 -3.807 -2.905 111 HD2 TYR 13 2HD TYR 13 -0.576 -7.465 -5.000 112 HE1 TYR 13 1HE TYR 13 -0.617 -2.556 -4.967 113 HE2 TYR 13 2HE TYR 13 -0.129 -6.241 -7.059 114 HH TYR 13 HH TYR 13 0.613 -3.033 -7.147 115 H THR 14 H THR 14 -2.526 -9.424 -1.973 116 HA THR 14 HA THR 14 -3.288 -9.203 0.819 117 HB THR 14 HB THR 14 -4.281 -11.018 -0.609 118 HG1 THR 14 1HG THR 14 -4.250 -11.534 1.521 119 HG21 THR 14 1HG2 THR 14 -1.459 -12.083 -0.684 120 HG22 THR 14 2HG2 THR 14 -2.392 -11.482 -2.057 121 HG23 THR 14 3HG2 THR 14 -2.887 -12.957 -1.234 122 H ASP 15 H ASP 15 -0.584 -9.107 -1.045 123 HA ASP 15 HA ASP 15 1.285 -10.429 0.699 124 HB2 ASP 15 2HB ASP 15 1.526 -10.407 -1.768 125 HB3 ASP 15 1HB ASP 15 1.750 -8.667 -1.714 126 HA PRO 16 HA PRO 16 1.611 -6.764 3.359 127 HB2 PRO 16 2HB PRO 16 3.964 -8.278 4.354 128 HB3 PRO 16 1HB PRO 16 2.608 -7.593 5.255 129 HG2 PRO 16 2HG PRO 16 2.747 -10.207 4.870 130 HG3 PRO 16 1HG PRO 16 1.196 -9.362 4.728 131 HD2 PRO 16 2HD PRO 16 3.015 -10.347 2.559 132 HD3 PRO 16 1HD PRO 16 1.244 -10.425 2.686 133 H LYS 17 H LYS 17 4.352 -8.118 1.549 134 HA LYS 17 HA LYS 17 6.005 -5.852 2.049 135 HB2 LYS 17 2HB LYS 17 6.797 -8.169 1.257 136 HB3 LYS 17 1HB LYS 17 6.299 -7.647 -0.351 137 HG2 LYS 17 2HG LYS 17 7.764 -5.570 0.197 138 HG3 LYS 17 1HG LYS 17 8.511 -6.637 1.382 139 HD2 LYS 17 2HD LYS 17 9.830 -6.843 -0.544 140 HD3 LYS 17 1HD LYS 17 8.804 -8.282 -0.554 141 HE2 LYS 17 2HE LYS 17 8.859 -7.314 -2.785 142 HE3 LYS 17 1HE LYS 17 7.250 -7.120 -2.095 143 HZ1 LYS 17 1HZ LYS 17 7.849 -5.084 -3.120 144 HZ2 LYS 17 2HZ LYS 17 9.344 -5.064 -2.370 145 HZ3 LYS 17 3HZ LYS 17 7.964 -4.801 -1.453 146 H LYS 18 H LYS 18 3.751 -6.838 -0.437 147 HA LYS 18 HA LYS 18 4.124 -4.646 -2.171 148 HB2 LYS 18 2HB LYS 18 1.810 -6.503 -1.718 149 HB3 LYS 18 1HB LYS 18 1.691 -5.174 -2.860 150 HG2 LYS 18 2HG LYS 18 3.852 -7.254 -2.984 151 HG3 LYS 18 1HG LYS 18 2.315 -7.383 -3.848 152 HD2 LYS 18 2HD LYS 18 2.733 -5.445 -5.090 153 HD3 LYS 18 1HD LYS 18 4.131 -4.986 -4.118 154 HE2 LYS 18 2HE LYS 18 5.285 -7.025 -4.941 155 HE3 LYS 18 1HE LYS 18 3.895 -7.348 -5.981 156 HZ1 LYS 18 1HZ LYS 18 4.291 -5.337 -7.153 157 HZ2 LYS 18 2HZ LYS 18 5.777 -6.153 -7.083 158 HZ3 LYS 18 3HZ LYS 18 5.469 -4.847 -6.062 159 H ARG 19 H ARG 19 2.150 -5.074 0.626 160 HA ARG 19 HA ARG 19 0.676 -2.707 0.725 161 HB2 ARG 19 2HB ARG 19 0.344 -4.417 2.356 162 HB3 ARG 19 1HB ARG 19 2.020 -4.359 2.858 163 HG2 ARG 19 2HG ARG 19 1.529 -2.028 3.705 164 HG3 ARG 19 1HG ARG 19 -0.177 -2.405 3.449 165 HD2 ARG 19 2HD ARG 19 0.447 -2.898 5.752 166 HD3 ARG 19 1HD ARG 19 0.069 -4.394 4.896 167 HE ARG 19 HE ARG 19 2.826 -3.804 4.736 168 HH11 ARG 19 1HH1 ARG 19 0.425 -5.233 6.891 169 HH12 ARG 19 2HH1 ARG 19 1.551 -6.045 7.857 170 HH21 ARG 19 1HH2 ARG 19 4.438 -4.881 6.121 171 HH22 ARG 19 2HH2 ARG 19 3.888 -5.827 7.406 172 H GLU 20 H GLU 20 3.911 -3.381 2.070 173 HA GLU 20 HA GLU 20 4.286 -0.602 2.670 174 HB2 GLU 20 2HB GLU 20 6.176 -2.919 2.954 175 HB3 GLU 20 1HB GLU 20 6.510 -1.283 3.522 176 HG2 GLU 20 2HG GLU 20 4.539 -1.372 4.956 177 HG3 GLU 20 1HG GLU 20 4.214 -3.000 4.371 178 H GLU 21 H GLU 21 5.092 -2.563 -0.029 179 HA GLU 21 HA GLU 21 7.113 -1.026 -1.185 180 HB2 GLU 21 2HB GLU 21 6.370 -3.313 -1.850 181 HB3 GLU 21 1HB GLU 21 4.883 -2.599 -2.451 182 HG2 GLU 21 2HG GLU 21 6.147 -1.304 -4.031 183 HG3 GLU 21 1HG GLU 21 7.636 -2.058 -3.431 184 H CYS 22 H CYS 22 3.596 -1.100 -1.565 185 HA CYS 22 HA CYS 22 3.417 1.137 -3.229 186 HB2 CYS 22 2HB CYS 22 1.621 -0.486 -3.103 187 HB3 CYS 22 1HB CYS 22 1.382 -0.135 -1.398 188 H LYS 23 H LYS 23 3.334 0.737 0.279 189 HA LYS 23 HA LYS 23 2.563 3.284 1.084 190 HB2 LYS 23 2HB LYS 23 2.862 1.416 2.650 191 HB3 LYS 23 1HB LYS 23 4.598 1.471 2.384 192 HG2 LYS 23 2HG LYS 23 4.650 3.743 3.334 193 HG3 LYS 23 1HG LYS 23 2.925 3.621 3.669 194 HD2 LYS 23 2HD LYS 23 3.362 1.688 5.121 195 HD3 LYS 23 1HD LYS 23 5.089 1.844 4.792 196 HE2 LYS 23 2HE LYS 23 5.057 4.108 5.758 197 HE3 LYS 23 1HE LYS 23 3.342 3.921 6.111 198 HZ1 LYS 23 1HZ LYS 23 3.902 2.037 7.522 199 HZ2 LYS 23 2HZ LYS 23 4.605 3.462 8.061 200 HZ3 LYS 23 3HZ LYS 23 5.549 2.300 7.249 201 H ARG 24 H ARG 24 5.624 2.210 -0.185 202 HA ARG 24 HA ARG 24 7.186 4.407 0.710 203 HB2 ARG 24 2HB ARG 24 7.988 2.110 0.090 204 HB3 ARG 24 1HB ARG 24 7.711 2.531 -1.588 205 HG2 ARG 24 2HG ARG 24 9.383 4.291 -1.437 206 HG3 ARG 24 1HG ARG 24 9.633 3.910 0.271 207 HD2 ARG 24 2HD ARG 24 10.261 1.609 -0.376 208 HD3 ARG 24 1HD ARG 24 10.116 2.080 -2.066 209 HE ARG 24 HE ARG 24 11.881 3.703 -0.507 210 HH11 ARG 24 1HH1 ARG 24 11.604 0.816 -2.549 211 HH12 ARG 24 2HH1 ARG 24 13.238 0.740 -2.961 212 HH21 ARG 24 1HH2 ARG 24 14.175 3.603 -1.044 213 HH22 ARG 24 2HH2 ARG 24 14.750 2.406 -2.095 214 H LYS 25 H LYS 25 5.026 3.925 -1.921 215 HA LYS 25 HA LYS 25 5.980 6.347 -3.273 216 HB2 LYS 25 2HB LYS 25 5.720 4.470 -4.784 217 HB3 LYS 25 1HB LYS 25 4.098 4.159 -4.185 218 HG2 LYS 25 2HG LYS 25 3.306 6.210 -5.133 219 HG3 LYS 25 1HG LYS 25 4.931 6.651 -5.649 220 HD2 LYS 25 2HD LYS 25 4.969 4.784 -7.182 221 HD3 LYS 25 1HD LYS 25 3.401 4.235 -6.590 222 HE2 LYS 25 2HE LYS 25 3.223 5.464 -8.727 223 HE3 LYS 25 1HE LYS 25 2.330 6.235 -7.423 224 HZ1 LYS 25 1HZ LYS 25 3.568 7.811 -8.792 225 HZ2 LYS 25 2HZ LYS 25 5.025 7.111 -8.381 226 HZ3 LYS 25 3HZ LYS 25 4.074 7.864 -7.201 227 H ALA 26 H ALA 26 3.312 4.938 -1.578 228 HA ALA 26 HA ALA 26 1.321 6.790 -2.210 229 HB1 ALA 26 1HB ALA 26 0.833 4.580 -1.325 230 HB2 ALA 26 2HB ALA 26 0.113 5.841 -0.315 231 HB3 ALA 26 3HB ALA 26 1.584 5.027 0.205 Start of MODEL 7 1 H HIS 1 H HIS 1 1.651 8.700 -1.577 2 HA HIS 1 HA HIS 1 2.599 9.567 1.039 3 HB2 HIS 1 2HB HIS 1 1.354 11.289 -1.125 4 HB3 HIS 1 1HB HIS 1 2.402 11.797 0.187 5 HD1 HIS 1 1HD HIS 1 2.451 10.781 -3.317 6 HD2 HIS 1 2HD HIS 1 5.159 10.956 -0.177 7 HE1 HIS 1 1HE HIS 1 4.735 10.638 -4.378 8 H ASP 2 H ASP 2 -0.257 9.407 -0.936 9 HA ASP 2 HA ASP 2 -2.050 10.622 0.918 10 HB2 ASP 2 2HB ASP 2 -2.629 8.861 -1.469 11 HB3 ASP 2 1HB ASP 2 -3.860 9.652 -0.505 12 HA PRO 3 HA PRO 3 -2.620 7.201 3.648 13 HB2 PRO 3 2HB PRO 3 -5.141 7.883 4.539 14 HB3 PRO 3 1HB PRO 3 -3.638 8.559 5.170 15 HG2 PRO 3 2HG PRO 3 -5.543 9.701 3.189 16 HG3 PRO 3 1HG PRO 3 -4.655 10.516 4.485 17 HD2 PRO 3 2HD PRO 3 -3.887 10.674 1.918 18 HD3 PRO 3 1HD PRO 3 -2.707 10.639 3.246 19 H GLU 4 H GLU 4 -5.207 8.159 1.453 20 HA GLU 4 HA GLU 4 -6.621 5.738 1.605 21 HB2 GLU 4 2HB GLU 4 -6.638 7.865 -0.517 22 HB3 GLU 4 1HB GLU 4 -7.757 6.507 -0.472 23 HG2 GLU 4 2HG GLU 4 -8.575 7.235 1.677 24 HG3 GLU 4 1HG GLU 4 -7.451 8.586 1.675 25 H LYS 5 H LYS 5 -3.880 6.685 -0.323 26 HA LYS 5 HA LYS 5 -4.094 4.433 -2.091 27 HB2 LYS 5 2HB LYS 5 -1.829 6.332 -1.512 28 HB3 LYS 5 1HB LYS 5 -1.685 5.008 -2.661 29 HG2 LYS 5 2HG LYS 5 -3.496 5.989 -3.984 30 HG3 LYS 5 1HG LYS 5 -3.613 7.306 -2.814 31 HD2 LYS 5 2HD LYS 5 -1.345 7.973 -3.290 32 HD3 LYS 5 1HD LYS 5 -1.149 6.629 -4.412 33 HE2 LYS 5 2HE LYS 5 -1.578 8.691 -5.636 34 HE3 LYS 5 1HE LYS 5 -2.910 7.560 -5.824 35 HZ1 LYS 5 1HZ LYS 5 -4.174 8.813 -4.194 36 HZ2 LYS 5 2HZ LYS 5 -3.689 9.809 -5.442 37 HZ3 LYS 5 3HZ LYS 5 -2.880 9.875 -3.960 38 H ARG 6 H ARG 6 -2.327 5.207 0.832 39 HA ARG 6 HA ARG 6 -0.855 2.810 1.055 40 HB2 ARG 6 2HB ARG 6 -1.900 4.666 3.213 41 HB3 ARG 6 1HB ARG 6 -0.783 3.343 3.514 42 HG2 ARG 6 2HG ARG 6 0.892 4.395 2.128 43 HG3 ARG 6 1HG ARG 6 -0.235 5.680 1.698 44 HD2 ARG 6 2HD ARG 6 1.347 6.407 3.412 45 HD3 ARG 6 1HD ARG 6 -0.304 6.411 4.020 46 HE ARG 6 HE ARG 6 0.482 4.049 4.875 47 HH11 ARG 6 1HH1 ARG 6 2.310 7.093 4.931 48 HH12 ARG 6 2HH1 ARG 6 3.120 6.760 6.373 49 HH21 ARG 6 1HH2 ARG 6 1.641 3.583 6.903 50 HH22 ARG 6 2HH2 ARG 6 2.745 4.701 7.517 51 H LYS 7 H LYS 7 -3.986 3.780 2.346 52 HA LYS 7 HA LYS 7 -4.712 1.397 3.594 53 HB2 LYS 7 2HB LYS 7 -5.870 3.630 3.802 54 HB3 LYS 7 1HB LYS 7 -6.533 3.324 2.196 55 HG2 LYS 7 2HG LYS 7 -8.183 2.786 3.860 56 HG3 LYS 7 1HG LYS 7 -7.651 1.331 3.029 57 HD2 LYS 7 2HD LYS 7 -6.167 0.765 4.874 58 HD3 LYS 7 1HD LYS 7 -6.629 2.246 5.716 59 HE2 LYS 7 2HE LYS 7 -8.915 1.448 5.871 60 HE3 LYS 7 1HE LYS 7 -8.481 -0.002 4.968 61 HZ1 LYS 7 1HZ LYS 7 -6.944 -0.586 6.723 62 HZ2 LYS 7 2HZ LYS 7 -8.520 -0.476 7.296 63 HZ3 LYS 7 3HZ LYS 7 -7.402 0.771 7.624 64 H GLU 8 H GLU 8 -5.166 2.552 0.298 65 HA GLU 8 HA GLU 8 -6.776 0.541 -0.622 66 HB2 GLU 8 2HB GLU 8 -6.456 2.539 -1.918 67 HB3 GLU 8 1HB GLU 8 -4.741 2.221 -2.075 68 HG2 GLU 8 2HG GLU 8 -5.155 0.379 -3.542 69 HG3 GLU 8 1HG GLU 8 -6.893 0.499 -3.274 70 H CYS 9 H CYS 9 -3.257 0.797 -0.565 71 HA CYS 9 HA CYS 9 -2.925 -1.746 -1.763 72 HB2 CYS 9 2HB CYS 9 -0.940 0.101 -0.456 73 HB3 CYS 9 1HB CYS 9 -0.487 -1.445 -1.178 74 H GLU 10 H GLU 10 -3.224 -0.704 1.528 75 HA GLU 10 HA GLU 10 -2.381 -3.091 2.802 76 HB2 GLU 10 2HB GLU 10 -2.834 -1.022 4.050 77 HB3 GLU 10 1HB GLU 10 -4.524 -1.088 3.574 78 HG2 GLU 10 2HG GLU 10 -4.662 -3.288 4.790 79 HG3 GLU 10 1HG GLU 10 -3.061 -2.941 5.430 80 H LYS 11 H LYS 11 -5.407 -1.969 1.483 81 HA LYS 11 HA LYS 11 -7.008 -4.177 2.254 82 HB2 LYS 11 2HB LYS 11 -7.929 -1.964 1.912 83 HB3 LYS 11 1HB LYS 11 -7.393 -1.977 0.243 84 HG2 LYS 11 2HG LYS 11 -8.986 -3.743 -0.271 85 HG3 LYS 11 1HG LYS 11 -9.496 -3.789 1.417 86 HD2 LYS 11 2HD LYS 11 -11.066 -2.494 0.053 87 HD3 LYS 11 1HD LYS 11 -10.278 -1.472 1.254 88 HE2 LYS 11 2HE LYS 11 -8.752 -0.625 -0.466 89 HE3 LYS 11 1HE LYS 11 -9.502 -1.679 -1.664 90 HZ1 LYS 11 1HZ LYS 11 -10.826 0.540 -0.206 91 HZ2 LYS 11 2HZ LYS 11 -11.579 -0.470 -1.327 92 HZ3 LYS 11 3HZ LYS 11 -10.357 0.565 -1.821 93 H LYS 12 H LYS 12 -5.622 -3.147 -0.833 94 HA LYS 12 HA LYS 12 -6.639 -5.394 -2.256 95 HB2 LYS 12 2HB LYS 12 -4.713 -3.220 -2.975 96 HB3 LYS 12 1HB LYS 12 -5.144 -4.502 -4.100 97 HG2 LYS 12 2HG LYS 12 -7.126 -2.613 -2.826 98 HG3 LYS 12 1HG LYS 12 -6.399 -2.361 -4.413 99 HD2 LYS 12 2HD LYS 12 -7.349 -4.508 -5.164 100 HD3 LYS 12 1HD LYS 12 -8.115 -4.711 -3.587 101 HE2 LYS 12 2HE LYS 12 -9.458 -2.737 -3.945 102 HE3 LYS 12 1HE LYS 12 -8.614 -2.400 -5.455 103 HZ1 LYS 12 1HZ LYS 12 -10.768 -3.456 -5.832 104 HZ2 LYS 12 2HZ LYS 12 -10.310 -4.800 -4.949 105 HZ3 LYS 12 3HZ LYS 12 -9.518 -4.425 -6.386 106 H TYR 13 H TYR 13 -3.430 -4.655 -0.867 107 HA TYR 13 HA TYR 13 -2.533 -7.114 -2.100 108 HB2 TYR 13 2HB TYR 13 -0.947 -4.852 -0.919 109 HB3 TYR 13 1HB TYR 13 -0.230 -6.383 -1.404 110 HD1 TYR 13 1HD TYR 13 -0.495 -7.092 -3.849 111 HD2 TYR 13 2HD TYR 13 -1.276 -3.142 -2.479 112 HE1 TYR 13 1HE TYR 13 -0.273 -6.265 -6.133 113 HE2 TYR 13 2HE TYR 13 -1.044 -2.300 -4.774 114 HH TYR 13 HH TYR 13 0.094 -3.026 -6.873 115 H THR 14 H THR 14 -2.614 -8.853 -1.061 116 HA THR 14 HA THR 14 -2.544 -9.004 1.800 117 HB THR 14 HB THR 14 -2.512 -11.512 1.137 118 HG1 THR 14 1HG THR 14 -2.472 -11.952 -0.901 119 HG21 THR 14 1HG2 THR 14 -4.813 -9.767 0.226 120 HG22 THR 14 2HG2 THR 14 -4.553 -10.349 1.871 121 HG23 THR 14 3HG2 THR 14 -4.910 -11.492 0.578 122 H ASP 15 H ASP 15 -0.566 -9.360 -0.984 123 HA ASP 15 HA ASP 15 1.680 -10.724 -0.023 124 HB2 ASP 15 2HB ASP 15 1.196 -10.331 -2.385 125 HB3 ASP 15 1HB ASP 15 1.442 -8.604 -2.161 126 HA PRO 16 HA PRO 16 2.995 -7.564 2.808 127 HB2 PRO 16 2HB PRO 16 5.405 -8.616 3.485 128 HB3 PRO 16 1HB PRO 16 3.869 -9.238 4.101 129 HG2 PRO 16 2HG PRO 16 5.563 -10.262 1.861 130 HG3 PRO 16 1HG PRO 16 4.721 -11.168 3.132 131 HD2 PRO 16 2HD PRO 16 3.734 -10.925 0.625 132 HD3 PRO 16 1HD PRO 16 2.690 -11.030 2.059 133 H LYS 17 H LYS 17 4.984 -8.469 0.026 134 HA LYS 17 HA LYS 17 6.706 -6.230 0.633 135 HB2 LYS 17 2HB LYS 17 8.153 -6.958 -1.229 136 HB3 LYS 17 1HB LYS 17 7.874 -8.234 -0.061 137 HG2 LYS 17 2HG LYS 17 6.196 -9.206 -1.595 138 HG3 LYS 17 1HG LYS 17 6.599 -7.960 -2.770 139 HD2 LYS 17 2HD LYS 17 7.771 -10.005 -3.311 140 HD3 LYS 17 1HD LYS 17 8.931 -8.782 -2.798 141 HE2 LYS 17 2HE LYS 17 9.096 -9.802 -0.605 142 HE3 LYS 17 1HE LYS 17 7.825 -10.954 -1.007 143 HZ1 LYS 17 1HZ LYS 17 10.049 -11.909 -1.176 144 HZ2 LYS 17 2HZ LYS 17 10.461 -10.780 -2.359 145 HZ3 LYS 17 3HZ LYS 17 9.266 -11.917 -2.667 146 H LYS 18 H LYS 18 4.324 -7.159 -1.766 147 HA LYS 18 HA LYS 18 4.621 -4.806 -3.352 148 HB2 LYS 18 2HB LYS 18 2.140 -6.485 -2.933 149 HB3 LYS 18 1HB LYS 18 2.348 -5.290 -4.198 150 HG2 LYS 18 2HG LYS 18 4.210 -6.655 -5.100 151 HG3 LYS 18 1HG LYS 18 3.827 -7.873 -3.869 152 HD2 LYS 18 2HD LYS 18 1.559 -8.042 -4.779 153 HD3 LYS 18 1HD LYS 18 1.985 -6.875 -6.029 154 HE2 LYS 18 2HE LYS 18 2.136 -9.096 -6.941 155 HE3 LYS 18 1HE LYS 18 3.752 -8.406 -6.805 156 HZ1 LYS 18 1HZ LYS 18 4.065 -9.692 -4.755 157 HZ2 LYS 18 2HZ LYS 18 3.719 -10.694 -6.059 158 HZ3 LYS 18 3HZ LYS 18 2.521 -10.345 -4.929 159 H ARG 19 H ARG 19 2.670 -5.654 -0.614 160 HA ARG 19 HA ARG 19 1.159 -3.300 -0.377 161 HB2 ARG 19 2HB ARG 19 0.541 -5.358 0.702 162 HB3 ARG 19 1HB ARG 19 2.038 -5.382 1.599 163 HG2 ARG 19 2HG ARG 19 1.307 -3.517 2.930 164 HG3 ARG 19 1HG ARG 19 -0.172 -3.379 1.963 165 HD2 ARG 19 2HD ARG 19 -0.937 -5.504 2.644 166 HD3 ARG 19 1HD ARG 19 0.617 -5.917 3.358 167 HE ARG 19 HE ARG 19 -0.063 -3.832 4.807 168 HH11 ARG 19 1HH1 ARG 19 -2.072 -6.532 3.773 169 HH12 ARG 19 2HH1 ARG 19 -2.904 -6.704 5.244 170 HH21 ARG 19 1HH2 ARG 19 -1.180 -4.035 6.860 171 HH22 ARG 19 2HH2 ARG 19 -2.391 -5.219 7.059 172 H GLU 20 H GLU 20 4.215 -4.339 1.138 173 HA GLU 20 HA GLU 20 4.750 -2.070 2.670 174 HB2 GLU 20 2HB GLU 20 5.985 -4.224 2.777 175 HB3 GLU 20 1HB GLU 20 6.718 -3.849 1.230 176 HG2 GLU 20 2HG GLU 20 8.290 -3.349 2.957 177 HG3 GLU 20 1HG GLU 20 7.731 -1.835 2.251 178 H GLU 21 H GLU 21 5.858 -2.919 -0.640 179 HA GLU 21 HA GLU 21 7.418 -0.726 -1.089 180 HB2 GLU 21 2HB GLU 21 7.204 -3.006 -2.238 181 HB3 GLU 21 1HB GLU 21 5.923 -2.240 -3.170 182 HG2 GLU 21 2HG GLU 21 8.048 -2.248 -4.289 183 HG3 GLU 21 1HG GLU 21 7.410 -0.614 -3.982 184 H CYS 22 H CYS 22 3.991 -1.287 -1.703 185 HA CYS 22 HA CYS 22 3.636 1.157 -3.089 186 HB2 CYS 22 2HB CYS 22 2.004 -0.611 -3.400 187 HB3 CYS 22 1HB CYS 22 1.617 -0.600 -1.683 188 H LYS 23 H LYS 23 3.012 0.138 0.253 189 HA LYS 23 HA LYS 23 1.817 2.452 1.205 190 HB2 LYS 23 2HB LYS 23 1.723 0.326 2.353 191 HB3 LYS 23 1HB LYS 23 3.457 0.362 2.607 192 HG2 LYS 23 2HG LYS 23 3.221 2.226 4.139 193 HG3 LYS 23 1HG LYS 23 1.487 2.287 3.826 194 HD2 LYS 23 2HD LYS 23 2.005 1.120 5.935 195 HD3 LYS 23 1HD LYS 23 1.200 0.064 4.778 196 HE2 LYS 23 2HE LYS 23 3.032 -1.075 5.927 197 HE3 LYS 23 1HE LYS 23 3.361 -0.951 4.202 198 HZ1 LYS 23 1HZ LYS 23 4.702 1.092 4.843 199 HZ2 LYS 23 2HZ LYS 23 5.316 -0.404 5.217 200 HZ3 LYS 23 3HZ LYS 23 4.612 0.530 6.440 201 H ARG 24 H ARG 24 5.231 1.616 1.045 202 HA ARG 24 HA ARG 24 6.123 3.897 2.527 203 HB2 ARG 24 2HB ARG 24 8.384 3.243 1.824 204 HB3 ARG 24 1HB ARG 24 7.469 1.847 2.372 205 HG2 ARG 24 2HG ARG 24 6.990 1.315 -0.008 206 HG3 ARG 24 1HG ARG 24 8.091 2.614 -0.455 207 HD2 ARG 24 2HD ARG 24 8.825 0.193 1.196 208 HD3 ARG 24 1HD ARG 24 9.141 0.374 -0.523 209 HE ARG 24 HE ARG 24 10.310 2.151 1.512 210 HH11 ARG 24 1HH1 ARG 24 10.634 0.332 -1.533 211 HH12 ARG 24 2HH1 ARG 24 12.307 0.464 -1.604 212 HH21 ARG 24 1HH2 ARG 24 12.657 2.321 1.417 213 HH22 ARG 24 2HH2 ARG 24 13.497 1.635 0.114 214 H LYS 25 H LYS 25 5.177 3.441 -0.742 215 HA LYS 25 HA LYS 25 6.663 5.773 -1.658 216 HB2 LYS 25 2HB LYS 25 6.875 3.706 -2.944 217 HB3 LYS 25 1HB LYS 25 5.137 3.629 -3.129 218 HG2 LYS 25 2HG LYS 25 5.136 5.509 -4.599 219 HG3 LYS 25 1HG LYS 25 6.832 5.850 -4.248 220 HD2 LYS 25 2HD LYS 25 6.625 4.744 -6.413 221 HD3 LYS 25 1HD LYS 25 7.472 3.713 -5.269 222 HE2 LYS 25 2HE LYS 25 5.934 2.374 -6.537 223 HE3 LYS 25 1HE LYS 25 5.358 2.473 -4.880 224 HZ1 LYS 25 1HZ LYS 25 3.735 4.149 -5.588 225 HZ2 LYS 25 2HZ LYS 25 3.586 2.736 -6.479 226 HZ3 LYS 25 3HZ LYS 25 4.333 4.068 -7.167 227 H ALA 26 H ALA 26 3.544 4.729 -0.778 228 HA ALA 26 HA ALA 26 2.092 6.739 -2.235 229 HB1 ALA 26 1HB ALA 26 1.073 4.564 -1.786 230 HB2 ALA 26 2HB ALA 26 0.142 5.867 -1.042 231 HB3 ALA 26 3HB ALA 26 1.200 4.863 -0.054 Start of MODEL 8 1 H HIS 1 H HIS 1 1.822 8.774 -1.189 2 HA HIS 1 HA HIS 1 2.485 8.847 1.664 3 HB2 HIS 1 2HB HIS 1 2.798 10.998 -0.454 4 HB3 HIS 1 1HB HIS 1 2.928 11.327 1.265 5 HD1 HIS 1 1HD HIS 1 5.254 10.984 2.292 6 HD2 HIS 1 2HD HIS 1 4.833 9.194 -1.437 7 HE1 HIS 1 1HE HIS 1 7.544 10.176 1.649 8 H ASP 2 H ASP 2 0.041 8.355 -0.057 9 HA ASP 2 HA ASP 2 -1.730 10.307 1.237 10 HB2 ASP 2 2HB ASP 2 -2.245 8.512 -1.133 11 HB3 ASP 2 1HB ASP 2 -3.517 9.363 -0.286 12 HA PRO 3 HA PRO 3 -2.930 7.032 3.978 13 HB2 PRO 3 2HB PRO 3 -5.416 8.108 4.607 14 HB3 PRO 3 1HB PRO 3 -3.908 8.522 5.424 15 HG2 PRO 3 2HG PRO 3 -5.368 9.987 3.278 16 HG3 PRO 3 1HG PRO 3 -4.458 10.634 4.651 17 HD2 PRO 3 2HD PRO 3 -3.494 10.609 2.134 18 HD3 PRO 3 1HD PRO 3 -2.436 10.429 3.555 19 H GLU 4 H GLU 4 -5.169 8.352 1.580 20 HA GLU 4 HA GLU 4 -6.965 6.199 1.421 21 HB2 GLU 4 2HB GLU 4 -6.169 8.182 -0.719 22 HB3 GLU 4 1HB GLU 4 -7.500 7.056 -0.871 23 HG2 GLU 4 2HG GLU 4 -8.347 9.232 -0.352 24 HG3 GLU 4 1HG GLU 4 -8.603 8.181 1.033 25 H LYS 5 H LYS 5 -4.052 6.932 -0.424 26 HA LYS 5 HA LYS 5 -4.283 4.686 -2.145 27 HB2 LYS 5 2HB LYS 5 -2.997 6.815 -2.624 28 HB3 LYS 5 1HB LYS 5 -1.772 6.231 -1.517 29 HG2 LYS 5 2HG LYS 5 -1.070 5.765 -3.763 30 HG3 LYS 5 1HG LYS 5 -1.477 4.237 -2.979 31 HD2 LYS 5 2HD LYS 5 -3.653 4.230 -4.085 32 HD3 LYS 5 1HD LYS 5 -3.295 5.789 -4.829 33 HE2 LYS 5 2HE LYS 5 -1.384 4.738 -5.995 34 HE3 LYS 5 1HE LYS 5 -1.841 3.187 -5.291 35 HZ1 LYS 5 1HZ LYS 5 -2.703 3.393 -7.516 36 HZ2 LYS 5 2HZ LYS 5 -3.477 4.830 -7.135 37 HZ3 LYS 5 3HZ LYS 5 -3.996 3.389 -6.427 38 H ARG 6 H ARG 6 -2.489 5.316 0.840 39 HA ARG 6 HA ARG 6 -1.118 2.865 0.884 40 HB2 ARG 6 2HB ARG 6 -1.917 4.698 3.147 41 HB3 ARG 6 1HB ARG 6 -0.956 3.250 3.387 42 HG2 ARG 6 2HG ARG 6 0.758 4.166 1.875 43 HG3 ARG 6 1HG ARG 6 -0.203 5.636 1.718 44 HD2 ARG 6 2HD ARG 6 -0.005 6.045 4.110 45 HD3 ARG 6 1HD ARG 6 0.901 4.546 4.306 46 HE ARG 6 HE ARG 6 2.269 6.009 2.422 47 HH11 ARG 6 1HH1 ARG 6 1.434 6.425 5.850 48 HH12 ARG 6 2HH1 ARG 6 2.735 7.468 6.170 49 HH21 ARG 6 1HH2 ARG 6 4.069 7.370 2.877 50 HH22 ARG 6 2HH2 ARG 6 4.290 8.023 4.427 51 H LYS 7 H LYS 7 -4.291 3.792 2.127 52 HA LYS 7 HA LYS 7 -4.839 1.312 3.346 53 HB2 LYS 7 2HB LYS 7 -6.168 3.385 3.798 54 HB3 LYS 7 1HB LYS 7 -6.794 3.238 2.150 55 HG2 LYS 7 2HG LYS 7 -8.404 2.395 3.815 56 HG3 LYS 7 1HG LYS 7 -7.887 1.168 2.666 57 HD2 LYS 7 2HD LYS 7 -6.317 0.258 4.298 58 HD3 LYS 7 1HD LYS 7 -6.779 1.509 5.453 59 HE2 LYS 7 2HE LYS 7 -8.611 -0.601 4.311 60 HE3 LYS 7 1HE LYS 7 -7.856 -0.664 5.901 61 HZ1 LYS 7 1HZ LYS 7 -10.112 0.121 6.039 62 HZ2 LYS 7 2HZ LYS 7 -9.802 1.375 4.972 63 HZ3 LYS 7 3HZ LYS 7 -9.059 1.359 6.489 64 H GLU 8 H GLU 8 -5.423 2.612 0.140 65 HA GLU 8 HA GLU 8 -7.009 0.614 -0.847 66 HB2 GLU 8 2HB GLU 8 -6.590 2.760 -1.978 67 HB3 GLU 8 1HB GLU 8 -4.950 2.254 -2.340 68 HG2 GLU 8 2HG GLU 8 -6.375 2.076 -4.296 69 HG3 GLU 8 1HG GLU 8 -5.811 0.487 -3.783 70 H CYS 9 H CYS 9 -3.468 0.902 -0.858 71 HA CYS 9 HA CYS 9 -3.066 -1.609 -2.122 72 HB2 CYS 9 2HB CYS 9 -1.152 0.152 -0.612 73 HB3 CYS 9 1HB CYS 9 -0.684 -1.311 -1.474 74 H GLU 10 H GLU 10 -3.260 -0.616 1.234 75 HA GLU 10 HA GLU 10 -2.296 -3.013 2.398 76 HB2 GLU 10 2HB GLU 10 -2.555 -0.796 3.545 77 HB3 GLU 10 1HB GLU 10 -4.287 -0.992 3.474 78 HG2 GLU 10 2HG GLU 10 -2.615 -3.015 4.914 79 HG3 GLU 10 1HG GLU 10 -2.974 -1.472 5.669 80 H LYS 11 H LYS 11 -5.436 -1.869 1.464 81 HA LYS 11 HA LYS 11 -6.961 -4.089 2.291 82 HB2 LYS 11 2HB LYS 11 -7.948 -1.925 1.989 83 HB3 LYS 11 1HB LYS 11 -7.429 -1.866 0.318 84 HG2 LYS 11 2HG LYS 11 -8.964 -3.670 -0.213 85 HG3 LYS 11 1HG LYS 11 -9.501 -3.716 1.466 86 HD2 LYS 11 2HD LYS 11 -10.339 -1.465 1.312 87 HD3 LYS 11 1HD LYS 11 -9.657 -1.279 -0.304 88 HE2 LYS 11 2HE LYS 11 -11.769 -3.272 0.464 89 HE3 LYS 11 1HE LYS 11 -12.087 -1.720 -0.310 90 HZ1 LYS 11 1HZ LYS 11 -12.016 -3.572 -1.903 91 HZ2 LYS 11 2HZ LYS 11 -10.400 -3.874 -1.499 92 HZ3 LYS 11 3HZ LYS 11 -10.827 -2.432 -2.221 93 H LYS 12 H LYS 12 -5.545 -3.179 -0.845 94 HA LYS 12 HA LYS 12 -6.633 -5.423 -2.206 95 HB2 LYS 12 2HB LYS 12 -6.123 -3.397 -3.441 96 HB3 LYS 12 1HB LYS 12 -4.426 -3.533 -3.017 97 HG2 LYS 12 2HG LYS 12 -4.780 -4.233 -5.315 98 HG3 LYS 12 1HG LYS 12 -4.263 -5.602 -4.332 99 HD2 LYS 12 2HD LYS 12 -6.634 -6.297 -4.133 100 HD3 LYS 12 1HD LYS 12 -7.083 -4.978 -5.213 101 HE2 LYS 12 2HE LYS 12 -5.282 -7.314 -5.873 102 HE3 LYS 12 1HE LYS 12 -6.939 -7.095 -6.412 103 HZ1 LYS 12 1HZ LYS 12 -4.656 -5.329 -7.128 104 HZ2 LYS 12 2HZ LYS 12 -6.245 -5.130 -7.650 105 HZ3 LYS 12 3HZ LYS 12 -5.361 -6.475 -8.130 106 H TYR 13 H TYR 13 -3.344 -4.708 -1.014 107 HA TYR 13 HA TYR 13 -2.491 -7.231 -2.099 108 HB2 TYR 13 2HB TYR 13 -0.937 -4.968 -0.881 109 HB3 TYR 13 1HB TYR 13 -0.202 -6.489 -1.376 110 HD1 TYR 13 1HD TYR 13 -1.869 -3.437 -2.549 111 HD2 TYR 13 2HD TYR 13 0.122 -7.006 -3.694 112 HE1 TYR 13 1HE TYR 13 -1.690 -2.589 -4.836 113 HE2 TYR 13 2HE TYR 13 0.311 -6.182 -5.979 114 HH TYR 13 HH TYR 13 -0.336 -2.947 -6.821 115 H THR 14 H THR 14 -2.353 -8.989 -1.069 116 HA THR 14 HA THR 14 -2.349 -9.014 1.810 117 HB THR 14 HB THR 14 -2.475 -11.536 1.394 118 HG1 THR 14 1HG THR 14 -1.786 -11.808 -0.610 119 HG21 THR 14 1HG2 THR 14 -4.851 -11.481 0.768 120 HG22 THR 14 2HG2 THR 14 -4.663 -9.824 0.193 121 HG23 THR 14 3HG2 THR 14 -4.475 -10.188 1.908 122 H ASP 15 H ASP 15 -0.385 -9.445 -0.986 123 HA ASP 15 HA ASP 15 1.834 -10.779 0.104 124 HB2 ASP 15 2HB ASP 15 1.559 -10.557 -2.311 125 HB3 ASP 15 1HB ASP 15 1.675 -8.806 -2.187 126 HA PRO 16 HA PRO 16 2.999 -7.537 2.881 127 HB2 PRO 16 2HB PRO 16 5.441 -8.540 3.580 128 HB3 PRO 16 1HB PRO 16 3.915 -9.115 4.257 129 HG2 PRO 16 2HG PRO 16 5.554 -10.268 2.038 130 HG3 PRO 16 1HG PRO 16 4.747 -11.100 3.379 131 HD2 PRO 16 2HD PRO 16 3.683 -11.049 0.927 132 HD3 PRO 16 1HD PRO 16 2.659 -10.951 2.376 133 H LYS 17 H LYS 17 5.075 -8.563 0.249 134 HA LYS 17 HA LYS 17 6.964 -6.470 0.676 135 HB2 LYS 17 2HB LYS 17 6.598 -8.274 -1.723 136 HB3 LYS 17 1HB LYS 17 7.987 -7.237 -1.424 137 HG2 LYS 17 2HG LYS 17 7.134 -9.565 0.302 138 HG3 LYS 17 1HG LYS 17 8.454 -9.579 -0.865 139 HD2 LYS 17 2HD LYS 17 9.651 -7.899 0.421 140 HD3 LYS 17 1HD LYS 17 8.302 -7.763 1.545 141 HE2 LYS 17 2HE LYS 17 10.076 -9.132 2.496 142 HE3 LYS 17 1HE LYS 17 8.621 -10.081 2.224 143 HZ1 LYS 17 1HZ LYS 17 11.002 -10.056 0.452 144 HZ2 LYS 17 2HZ LYS 17 9.640 -11.036 0.246 145 HZ3 LYS 17 3HZ LYS 17 10.636 -11.254 1.557 146 H LYS 18 H LYS 18 4.526 -7.092 -1.817 147 HA LYS 18 HA LYS 18 4.886 -4.604 -3.144 148 HB2 LYS 18 2HB LYS 18 2.430 -6.365 -3.110 149 HB3 LYS 18 1HB LYS 18 2.792 -5.120 -4.296 150 HG2 LYS 18 2HG LYS 18 4.728 -6.379 -5.055 151 HG3 LYS 18 1HG LYS 18 4.410 -7.607 -3.826 152 HD2 LYS 18 2HD LYS 18 2.203 -8.016 -4.881 153 HD3 LYS 18 1HD LYS 18 2.651 -6.885 -6.161 154 HE2 LYS 18 2HE LYS 18 3.062 -9.166 -6.879 155 HE3 LYS 18 1HE LYS 18 4.586 -8.299 -6.712 156 HZ1 LYS 18 1HZ LYS 18 4.895 -9.397 -4.530 157 HZ2 LYS 18 2HZ LYS 18 4.741 -10.520 -5.753 158 HZ3 LYS 18 3HZ LYS 18 3.443 -10.217 -4.748 159 H ARG 19 H ARG 19 2.779 -5.637 -0.559 160 HA ARG 19 HA ARG 19 1.148 -3.352 -0.349 161 HB2 ARG 19 2HB ARG 19 0.632 -5.491 0.695 162 HB3 ARG 19 1HB ARG 19 2.061 -5.373 1.691 163 HG2 ARG 19 2HG ARG 19 1.078 -3.506 2.896 164 HG3 ARG 19 1HG ARG 19 -0.347 -3.590 1.853 165 HD2 ARG 19 2HD ARG 19 -0.899 -5.762 2.618 166 HD3 ARG 19 1HD ARG 19 0.640 -5.929 3.452 167 HE ARG 19 HE ARG 19 -0.564 -3.772 4.594 168 HH11 ARG 19 1HH1 ARG 19 -1.575 -7.123 4.055 169 HH12 ARG 19 2HH1 ARG 19 -2.340 -7.299 5.550 170 HH21 ARG 19 1HH2 ARG 19 -1.616 -4.018 6.694 171 HH22 ARG 19 2HH2 ARG 19 -2.388 -5.487 7.074 172 H GLU 20 H GLU 20 4.211 -4.257 1.205 173 HA GLU 20 HA GLU 20 4.540 -1.925 2.736 174 HB2 GLU 20 2HB GLU 20 5.743 -4.022 3.166 175 HB3 GLU 20 1HB GLU 20 6.586 -3.858 1.638 176 HG2 GLU 20 2HG GLU 20 7.971 -3.243 3.545 177 HG3 GLU 20 1HG GLU 20 7.724 -1.898 2.436 178 H GLU 21 H GLU 21 5.726 -2.877 -0.464 179 HA GLU 21 HA GLU 21 7.260 -0.652 -1.090 180 HB2 GLU 21 2HB GLU 21 5.555 -2.335 -2.891 181 HB3 GLU 21 1HB GLU 21 6.704 -1.134 -3.457 182 HG2 GLU 21 2HG GLU 21 7.328 -3.595 -1.847 183 HG3 GLU 21 1HG GLU 21 7.622 -3.376 -3.570 184 H CYS 22 H CYS 22 3.801 -1.176 -1.537 185 HA CYS 22 HA CYS 22 3.447 1.297 -2.783 186 HB2 CYS 22 2HB CYS 22 1.781 -0.533 -2.972 187 HB3 CYS 22 1HB CYS 22 1.342 -0.269 -1.285 188 H LYS 23 H LYS 23 3.145 0.252 0.607 189 HA LYS 23 HA LYS 23 2.266 2.720 1.610 190 HB2 LYS 23 2HB LYS 23 2.072 0.723 2.949 191 HB3 LYS 23 1HB LYS 23 3.810 0.484 2.939 192 HG2 LYS 23 2HG LYS 23 4.161 2.237 4.463 193 HG3 LYS 23 1HG LYS 23 2.548 2.899 4.205 194 HD2 LYS 23 2HD LYS 23 2.764 1.727 6.375 195 HD3 LYS 23 1HD LYS 23 1.546 1.003 5.335 196 HE2 LYS 23 2HE LYS 23 2.819 -0.727 6.420 197 HE3 LYS 23 1HE LYS 23 3.176 -0.740 4.698 198 HZ1 LYS 23 1HZ LYS 23 5.132 -1.025 6.057 199 HZ2 LYS 23 2HZ LYS 23 4.949 0.478 6.777 200 HZ3 LYS 23 3HZ LYS 23 5.271 0.318 5.119 201 H ARG 24 H ARG 24 5.406 1.632 0.725 202 HA ARG 24 HA ARG 24 6.844 3.863 1.810 203 HB2 ARG 24 2HB ARG 24 7.578 1.789 -0.262 204 HB3 ARG 24 1HB ARG 24 8.688 3.019 0.314 205 HG2 ARG 24 2HG ARG 24 8.625 2.104 2.538 206 HG3 ARG 24 1HG ARG 24 7.366 0.962 2.070 207 HD2 ARG 24 2HD ARG 24 8.890 -0.177 0.578 208 HD3 ARG 24 1HD ARG 24 10.139 1.034 0.872 209 HE ARG 24 HE ARG 24 9.649 0.172 3.317 210 HH11 ARG 24 1HH1 ARG 24 10.125 -1.842 0.379 211 HH12 ARG 24 2HH1 ARG 24 11.001 -3.024 1.230 212 HH21 ARG 24 1HH2 ARG 24 10.795 -1.566 4.407 213 HH22 ARG 24 2HH2 ARG 24 11.381 -2.893 3.502 214 H LYS 25 H LYS 25 5.140 3.187 -1.151 215 HA LYS 25 HA LYS 25 6.469 5.271 -2.697 216 HB2 LYS 25 2HB LYS 25 5.874 3.107 -3.706 217 HB3 LYS 25 1HB LYS 25 4.181 3.411 -3.368 218 HG2 LYS 25 2HG LYS 25 4.319 5.399 -4.887 219 HG3 LYS 25 1HG LYS 25 5.948 4.885 -5.319 220 HD2 LYS 25 2HD LYS 25 3.419 3.261 -5.702 221 HD3 LYS 25 1HD LYS 25 4.290 4.116 -6.969 222 HE2 LYS 25 2HE LYS 25 5.419 1.842 -5.316 223 HE3 LYS 25 1HE LYS 25 4.745 1.679 -6.931 224 HZ1 LYS 25 1HZ LYS 25 6.471 3.061 -7.801 225 HZ2 LYS 25 2HZ LYS 25 7.193 1.836 -6.905 226 HZ3 LYS 25 3HZ LYS 25 7.090 3.389 -6.280 227 H ALA 26 H ALA 26 3.386 4.600 -1.220 228 HA ALA 26 HA ALA 26 2.173 6.995 -2.270 229 HB1 ALA 26 1HB ALA 26 0.887 4.944 -2.201 230 HB2 ALA 26 2HB ALA 26 0.177 6.185 -1.160 231 HB3 ALA 26 3HB ALA 26 1.101 4.863 -0.452 Start of MODEL 9 1 H HIS 1 H HIS 1 2.303 8.304 -0.462 2 HA HIS 1 HA HIS 1 2.042 7.415 2.314 3 HB2 HIS 1 2HB HIS 1 2.896 10.113 1.221 4 HB3 HIS 1 1HB HIS 1 2.855 9.666 2.919 5 HD1 HIS 1 1HD HIS 1 4.984 9.481 -0.092 6 HD2 HIS 1 2HD HIS 1 4.812 7.762 3.677 7 HE1 HIS 1 1HE HIS 1 7.221 8.377 0.260 8 H ASP 2 H ASP 2 0.299 8.801 -0.201 9 HA ASP 2 HA ASP 2 -1.437 10.396 1.398 10 HB2 ASP 2 2HB ASP 2 -2.006 9.314 -1.390 11 HB3 ASP 2 1HB ASP 2 -2.924 10.540 -0.541 12 HA PRO 3 HA PRO 3 -3.777 7.534 3.684 13 HB2 PRO 3 2HB PRO 3 -6.021 9.189 2.617 14 HB3 PRO 3 1HB PRO 3 -5.741 8.595 4.258 15 HG2 PRO 3 2HG PRO 3 -5.131 11.083 3.617 16 HG3 PRO 3 1HG PRO 3 -4.077 10.134 4.679 17 HD2 PRO 3 2HD PRO 3 -3.665 10.968 1.873 18 HD3 PRO 3 1HD PRO 3 -2.478 10.588 3.141 19 H GLU 4 H GLU 4 -5.681 8.330 0.736 20 HA GLU 4 HA GLU 4 -7.096 5.870 0.853 21 HB2 GLU 4 2HB GLU 4 -6.875 7.877 -1.393 22 HB3 GLU 4 1HB GLU 4 -8.024 6.555 -1.318 23 HG2 GLU 4 2HG GLU 4 -9.167 7.485 0.501 24 HG3 GLU 4 1HG GLU 4 -7.871 8.634 0.827 25 H LYS 5 H LYS 5 -4.321 6.963 -0.895 26 HA LYS 5 HA LYS 5 -4.106 4.843 -2.756 27 HB2 LYS 5 2HB LYS 5 -1.954 6.558 -1.516 28 HB3 LYS 5 1HB LYS 5 -1.688 5.514 -2.896 29 HG2 LYS 5 2HG LYS 5 -3.333 6.874 -4.168 30 HG3 LYS 5 1HG LYS 5 -3.480 7.933 -2.765 31 HD2 LYS 5 2HD LYS 5 -1.062 8.423 -2.893 32 HD3 LYS 5 1HD LYS 5 -0.943 7.375 -4.296 33 HE2 LYS 5 2HE LYS 5 -2.394 8.826 -5.573 34 HE3 LYS 5 1HE LYS 5 -2.688 9.826 -4.151 35 HZ1 LYS 5 1HZ LYS 5 -1.032 10.825 -5.628 36 HZ2 LYS 5 2HZ LYS 5 -0.028 9.481 -5.451 37 HZ3 LYS 5 3HZ LYS 5 -0.395 10.455 -4.119 38 H ARG 6 H ARG 6 -2.451 5.369 0.344 39 HA ARG 6 HA ARG 6 -1.333 2.752 0.283 40 HB2 ARG 6 2HB ARG 6 -0.556 3.179 2.593 41 HB3 ARG 6 1HB ARG 6 -0.047 4.383 1.425 42 HG2 ARG 6 2HG ARG 6 -1.549 5.983 2.274 43 HG3 ARG 6 1HG ARG 6 -2.428 4.771 3.208 44 HD2 ARG 6 2HD ARG 6 -0.893 6.198 4.556 45 HD3 ARG 6 1HD ARG 6 -0.588 4.472 4.685 46 HE ARG 6 HE ARG 6 1.048 5.424 2.664 47 HH11 ARG 6 1HH1 ARG 6 0.644 6.027 6.127 48 HH12 ARG 6 2HH1 ARG 6 2.300 6.251 6.419 49 HH21 ARG 6 1HH2 ARG 6 3.344 5.671 3.111 50 HH22 ARG 6 2HH2 ARG 6 3.842 6.047 4.703 51 H LYS 7 H LYS 7 -4.258 4.093 1.647 52 HA LYS 7 HA LYS 7 -4.780 1.976 3.414 53 HB2 LYS 7 2HB LYS 7 -6.108 4.157 3.317 54 HB3 LYS 7 1HB LYS 7 -6.867 3.496 1.867 55 HG2 LYS 7 2HG LYS 7 -8.333 3.155 3.766 56 HG3 LYS 7 1HG LYS 7 -7.736 1.614 3.164 57 HD2 LYS 7 2HD LYS 7 -6.019 1.576 4.941 58 HD3 LYS 7 1HD LYS 7 -6.646 3.102 5.558 59 HE2 LYS 7 2HE LYS 7 -8.198 0.522 5.376 60 HE3 LYS 7 1HE LYS 7 -7.413 1.119 6.835 61 HZ1 LYS 7 1HZ LYS 7 -8.898 3.052 6.742 62 HZ2 LYS 7 2HZ LYS 7 -9.732 1.601 6.844 63 HZ3 LYS 7 3HZ LYS 7 -9.664 2.407 5.378 64 H GLU 8 H GLU 8 -5.677 2.548 0.033 65 HA GLU 8 HA GLU 8 -6.958 0.131 -0.235 66 HB2 GLU 8 2HB GLU 8 -5.754 1.958 -2.266 67 HB3 GLU 8 1HB GLU 8 -6.415 0.400 -2.743 68 HG2 GLU 8 2HG GLU 8 -7.892 2.600 -1.335 69 HG3 GLU 8 1HG GLU 8 -8.049 2.148 -3.034 70 H CYS 9 H CYS 9 -3.566 0.979 -0.744 71 HA CYS 9 HA CYS 9 -2.857 -1.538 -1.722 72 HB2 CYS 9 2HB CYS 9 -1.181 0.507 -0.278 73 HB3 CYS 9 1HB CYS 9 -0.509 -0.997 -0.906 74 H GLU 10 H GLU 10 -3.089 -0.414 1.587 75 HA GLU 10 HA GLU 10 -2.101 -2.750 2.861 76 HB2 GLU 10 2HB GLU 10 -2.227 -0.544 3.925 77 HB3 GLU 10 1HB GLU 10 -3.971 -0.553 3.783 78 HG2 GLU 10 2HG GLU 10 -3.288 -0.998 6.058 79 HG3 GLU 10 1HG GLU 10 -4.080 -2.412 5.367 80 H LYS 11 H LYS 11 -5.196 -1.719 1.693 81 HA LYS 11 HA LYS 11 -6.775 -3.725 2.993 82 HB2 LYS 11 2HB LYS 11 -7.464 -1.391 2.405 83 HB3 LYS 11 1HB LYS 11 -7.452 -1.868 0.725 84 HG2 LYS 11 2HG LYS 11 -9.277 -3.379 1.099 85 HG3 LYS 11 1HG LYS 11 -9.248 -3.044 2.836 86 HD2 LYS 11 2HD LYS 11 -9.631 -0.631 2.310 87 HD3 LYS 11 1HD LYS 11 -9.838 -1.077 0.620 88 HE2 LYS 11 2HE LYS 11 -11.758 -2.456 1.217 89 HE3 LYS 11 1HE LYS 11 -11.525 -2.056 2.919 90 HZ1 LYS 11 1HZ LYS 11 -13.241 -0.667 1.957 91 HZ2 LYS 11 2HZ LYS 11 -12.200 -0.129 0.753 92 HZ3 LYS 11 3HZ LYS 11 -11.921 0.296 2.345 93 H LYS 12 H LYS 12 -5.563 -3.175 -0.291 94 HA LYS 12 HA LYS 12 -6.878 -5.523 -1.324 95 HB2 LYS 12 2HB LYS 12 -5.089 -3.485 -2.625 96 HB3 LYS 12 1HB LYS 12 -5.766 -4.862 -3.476 97 HG2 LYS 12 2HG LYS 12 -7.397 -2.709 -2.123 98 HG3 LYS 12 1HG LYS 12 -7.015 -2.752 -3.845 99 HD2 LYS 12 2HD LYS 12 -8.165 -4.924 -4.022 100 HD3 LYS 12 1HD LYS 12 -8.571 -4.834 -2.311 101 HE2 LYS 12 2HE LYS 12 -9.447 -2.861 -4.414 102 HE3 LYS 12 1HE LYS 12 -10.433 -4.174 -3.793 103 HZ1 LYS 12 1HZ LYS 12 -10.981 -2.128 -2.725 104 HZ2 LYS 12 2HZ LYS 12 -9.418 -1.834 -2.247 105 HZ3 LYS 12 3HZ LYS 12 -10.292 -3.145 -1.579 106 H TYR 13 H TYR 13 -3.443 -4.564 -0.840 107 HA TYR 13 HA TYR 13 -2.608 -6.998 -2.072 108 HB2 TYR 13 2HB TYR 13 -1.016 -4.896 -0.625 109 HB3 TYR 13 1HB TYR 13 -0.304 -6.332 -1.346 110 HD1 TYR 13 1HD TYR 13 -1.570 -3.041 -1.896 111 HD2 TYR 13 2HD TYR 13 -0.388 -6.605 -3.850 112 HE1 TYR 13 1HE TYR 13 -1.364 -1.800 -4.003 113 HE2 TYR 13 2HE TYR 13 -0.182 -5.398 -5.964 114 HH TYR 13 HH TYR 13 -0.988 -3.375 -7.009 115 H THR 14 H THR 14 -2.394 -8.841 -1.220 116 HA THR 14 HA THR 14 -2.212 -9.078 1.674 117 HB THR 14 HB THR 14 -3.955 -10.429 0.435 118 HG1 THR 14 1HG THR 14 -1.955 -12.064 1.578 119 HG21 THR 14 1HG2 THR 14 -1.529 -11.815 -0.704 120 HG22 THR 14 2HG2 THR 14 -2.732 -10.892 -1.609 121 HG23 THR 14 3HG2 THR 14 -3.181 -12.409 -0.831 122 H ASP 15 H ASP 15 -0.430 -8.982 -1.124 123 HA ASP 15 HA ASP 15 1.759 -10.687 -0.424 124 HB2 ASP 15 2HB ASP 15 1.199 -10.118 -2.764 125 HB3 ASP 15 1HB ASP 15 1.544 -8.428 -2.424 126 HA PRO 16 HA PRO 16 3.150 -7.741 2.673 127 HB2 PRO 16 2HB PRO 16 5.650 -9.317 2.514 128 HB3 PRO 16 1HB PRO 16 4.648 -8.933 3.915 129 HG2 PRO 16 2HG PRO 16 4.634 -11.388 2.878 130 HG3 PRO 16 1HG PRO 16 3.144 -10.643 3.482 131 HD2 PRO 16 2HD PRO 16 4.080 -10.987 0.662 132 HD3 PRO 16 1HD PRO 16 2.452 -11.162 1.359 133 H LYS 17 H LYS 17 5.250 -8.640 -0.021 134 HA LYS 17 HA LYS 17 6.959 -6.411 0.379 135 HB2 LYS 17 2HB LYS 17 7.843 -8.423 -0.587 136 HB3 LYS 17 1HB LYS 17 6.696 -8.341 -1.911 137 HG2 LYS 17 2HG LYS 17 7.771 -6.349 -2.756 138 HG3 LYS 17 1HG LYS 17 8.877 -6.339 -1.382 139 HD2 LYS 17 2HD LYS 17 9.817 -8.456 -2.086 140 HD3 LYS 17 1HD LYS 17 8.660 -8.555 -3.413 141 HE2 LYS 17 2HE LYS 17 9.590 -6.578 -4.422 142 HE3 LYS 17 1HE LYS 17 10.689 -6.365 -3.059 143 HZ1 LYS 17 1HZ LYS 17 11.758 -7.371 -4.976 144 HZ2 LYS 17 2HZ LYS 17 10.695 -8.676 -4.916 145 HZ3 LYS 17 3HZ LYS 17 11.781 -8.403 -3.651 146 H LYS 18 H LYS 18 4.385 -7.123 -1.971 147 HA LYS 18 HA LYS 18 4.620 -4.690 -3.419 148 HB2 LYS 18 2HB LYS 18 2.186 -6.415 -2.985 149 HB3 LYS 18 1HB LYS 18 2.278 -5.097 -4.136 150 HG2 LYS 18 2HG LYS 18 3.967 -6.280 -5.401 151 HG3 LYS 18 1HG LYS 18 3.978 -7.566 -4.182 152 HD2 LYS 18 2HD LYS 18 1.634 -8.034 -4.645 153 HD3 LYS 18 1HD LYS 18 1.618 -6.765 -5.868 154 HE2 LYS 18 2HE LYS 18 1.835 -9.004 -6.841 155 HE3 LYS 18 1HE LYS 18 3.226 -7.986 -7.192 156 HZ1 LYS 18 1HZ LYS 18 3.758 -10.311 -6.529 157 HZ2 LYS 18 2HZ LYS 18 3.245 -9.983 -4.959 158 HZ3 LYS 18 3HZ LYS 18 4.525 -9.134 -5.640 159 H ARG 19 H ARG 19 2.702 -5.612 -0.627 160 HA ARG 19 HA ARG 19 1.267 -3.211 -0.366 161 HB2 ARG 19 2HB ARG 19 0.575 -5.284 0.757 162 HB3 ARG 19 1HB ARG 19 2.032 -5.257 1.730 163 HG2 ARG 19 2HG ARG 19 1.293 -3.297 2.899 164 HG3 ARG 19 1HG ARG 19 -0.097 -3.135 1.827 165 HD2 ARG 19 2HD ARG 19 -0.683 -4.128 4.016 166 HD3 ARG 19 1HD ARG 19 -1.042 -5.193 2.662 167 HE ARG 19 HE ARG 19 1.004 -6.401 3.224 168 HH11 ARG 19 1HH1 ARG 19 -0.604 -4.542 5.799 169 HH12 ARG 19 2HH1 ARG 19 0.161 -5.370 7.060 170 HH21 ARG 19 1HH2 ARG 19 1.937 -7.612 4.969 171 HH22 ARG 19 2HH2 ARG 19 1.634 -7.168 6.585 172 H GLU 20 H GLU 20 4.326 -4.324 1.041 173 HA GLU 20 HA GLU 20 4.816 -2.067 2.632 174 HB2 GLU 20 2HB GLU 20 6.018 -4.159 2.972 175 HB3 GLU 20 1HB GLU 20 6.759 -4.015 1.388 176 HG2 GLU 20 2HG GLU 20 7.963 -2.052 2.092 177 HG3 GLU 20 1HG GLU 20 7.168 -2.097 3.664 178 H GLU 21 H GLU 21 6.015 -2.884 -0.617 179 HA GLU 21 HA GLU 21 7.406 -0.483 -0.913 180 HB2 GLU 21 2HB GLU 21 6.405 -2.449 -2.910 181 HB3 GLU 21 1HB GLU 21 7.206 -0.957 -3.392 182 HG2 GLU 21 2HG GLU 21 8.342 -3.145 -1.648 183 HG3 GLU 21 1HG GLU 21 8.805 -2.787 -3.312 184 H CYS 22 H CYS 22 4.044 -1.219 -1.538 185 HA CYS 22 HA CYS 22 3.697 1.213 -2.882 186 HB2 CYS 22 2HB CYS 22 1.968 -0.494 -3.161 187 HB3 CYS 22 1HB CYS 22 1.598 -0.437 -1.437 188 H LYS 23 H LYS 23 3.375 0.191 0.460 189 HA LYS 23 HA LYS 23 2.278 2.513 1.588 190 HB2 LYS 23 2HB LYS 23 2.323 0.298 2.619 191 HB3 LYS 23 1HB LYS 23 4.064 0.378 2.740 192 HG2 LYS 23 2HG LYS 23 3.883 2.164 4.375 193 HG3 LYS 23 1HG LYS 23 2.118 2.141 4.215 194 HD2 LYS 23 2HD LYS 23 2.079 -0.197 4.923 195 HD3 LYS 23 1HD LYS 23 3.832 -0.182 5.078 196 HE2 LYS 23 2HE LYS 23 3.688 1.447 6.855 197 HE3 LYS 23 1HE LYS 23 1.937 1.549 6.659 198 HZ1 LYS 23 1HZ LYS 23 1.814 -0.808 7.250 199 HZ2 LYS 23 2HZ LYS 23 2.470 0.088 8.489 200 HZ3 LYS 23 3HZ LYS 23 3.469 -0.853 7.525 201 H ARG 24 H ARG 24 5.545 1.633 0.788 202 HA ARG 24 HA ARG 24 6.765 3.831 2.204 203 HB2 ARG 24 2HB ARG 24 7.918 1.917 0.178 204 HB3 ARG 24 1HB ARG 24 8.854 3.048 1.143 205 HG2 ARG 24 2HG ARG 24 8.219 1.913 3.171 206 HG3 ARG 24 1HG ARG 24 7.138 0.852 2.271 207 HD2 ARG 24 2HD ARG 24 9.110 -0.376 2.718 208 HD3 ARG 24 1HD ARG 24 9.142 0.041 1.008 209 HE ARG 24 HE ARG 24 10.523 1.921 2.638 210 HH11 ARG 24 1HH1 ARG 24 10.848 -1.043 0.713 211 HH12 ARG 24 2HH1 ARG 24 12.541 -1.183 0.952 212 HH21 ARG 24 1HH2 ARG 24 12.865 1.758 2.888 213 HH22 ARG 24 2HH2 ARG 24 13.704 0.452 2.184 214 H LYS 25 H LYS 25 5.174 3.526 -0.738 215 HA LYS 25 HA LYS 25 6.619 5.790 -1.928 216 HB2 LYS 25 2HB LYS 25 6.567 3.811 -3.334 217 HB3 LYS 25 1HB LYS 25 4.822 3.707 -3.170 218 HG2 LYS 25 2HG LYS 25 4.603 5.840 -4.371 219 HG3 LYS 25 1HG LYS 25 6.356 5.887 -4.571 220 HD2 LYS 25 2HD LYS 25 6.280 3.799 -5.826 221 HD3 LYS 25 1HD LYS 25 4.533 3.714 -5.581 222 HE2 LYS 25 2HE LYS 25 4.251 5.785 -6.822 223 HE3 LYS 25 1HE LYS 25 5.994 5.894 -7.040 224 HZ1 LYS 25 1HZ LYS 25 5.933 3.847 -8.324 225 HZ2 LYS 25 2HZ LYS 25 4.895 4.996 -8.989 226 HZ3 LYS 25 3HZ LYS 25 4.263 3.724 -8.096 227 H ALA 26 H ALA 26 3.389 4.452 -1.486 228 HA ALA 26 HA ALA 26 2.150 6.983 -2.032 229 HB1 ALA 26 1HB ALA 26 0.985 4.287 -1.345 230 HB2 ALA 26 2HB ALA 26 1.155 4.966 -2.966 231 HB3 ALA 26 3HB ALA 26 0.066 5.720 -1.799 Start of MODEL 10 1 H HIS 1 H HIS 1 1.593 8.084 -1.083 2 HA HIS 1 HA HIS 1 2.797 8.910 1.442 3 HB2 HIS 1 2HB HIS 1 2.251 10.403 -1.137 4 HB3 HIS 1 1HB HIS 1 2.932 11.162 0.296 5 HD1 HIS 1 1HD HIS 1 3.815 8.580 -2.369 6 HD2 HIS 1 2HD HIS 1 5.621 10.814 0.634 7 HE1 HIS 1 1HE HIS 1 6.290 8.316 -2.702 8 H ASP 2 H ASP 2 -0.145 8.509 0.030 9 HA ASP 2 HA ASP 2 -1.461 10.423 1.838 10 HB2 ASP 2 2HB ASP 2 -2.543 9.107 -0.669 11 HB3 ASP 2 1HB ASP 2 -3.508 10.065 0.441 12 HA PRO 3 HA PRO 3 -2.865 7.013 4.297 13 HB2 PRO 3 2HB PRO 3 -5.339 8.066 5.016 14 HB3 PRO 3 1HB PRO 3 -3.816 8.399 5.844 15 HG2 PRO 3 2HG PRO 3 -5.245 10.028 3.784 16 HG3 PRO 3 1HG PRO 3 -4.387 10.567 5.237 17 HD2 PRO 3 2HD PRO 3 -3.285 10.787 2.821 18 HD3 PRO 3 1HD PRO 3 -2.300 10.345 4.232 19 H GLU 4 H GLU 4 -5.007 8.459 1.916 20 HA GLU 4 HA GLU 4 -6.788 6.268 1.704 21 HB2 GLU 4 2HB GLU 4 -7.453 7.313 -0.466 22 HB3 GLU 4 1HB GLU 4 -7.546 8.380 0.926 23 HG2 GLU 4 2HG GLU 4 -5.582 9.534 0.283 24 HG3 GLU 4 1HG GLU 4 -5.207 8.340 -0.959 25 H LYS 5 H LYS 5 -3.794 7.110 0.029 26 HA LYS 5 HA LYS 5 -3.899 5.111 -1.964 27 HB2 LYS 5 2HB LYS 5 -2.390 7.235 -1.725 28 HB3 LYS 5 1HB LYS 5 -1.391 6.216 -0.717 29 HG2 LYS 5 2HG LYS 5 -0.420 6.137 -2.867 30 HG3 LYS 5 1HG LYS 5 -1.265 4.599 -2.664 31 HD2 LYS 5 2HD LYS 5 -1.726 5.422 -4.854 32 HD3 LYS 5 1HD LYS 5 -3.198 5.605 -3.908 33 HE2 LYS 5 2HE LYS 5 -2.569 7.991 -3.492 34 HE3 LYS 5 1HE LYS 5 -1.189 7.768 -4.560 35 HZ1 LYS 5 1HZ LYS 5 -4.033 7.482 -5.313 36 HZ2 LYS 5 2HZ LYS 5 -2.723 7.322 -6.372 37 HZ3 LYS 5 3HZ LYS 5 -3.065 8.809 -5.650 38 H ARG 6 H ARG 6 -2.509 5.428 1.222 39 HA ARG 6 HA ARG 6 -1.202 2.993 1.566 40 HB2 ARG 6 2HB ARG 6 -0.990 4.912 3.057 41 HB3 ARG 6 1HB ARG 6 -2.662 4.737 3.547 42 HG2 ARG 6 2HG ARG 6 -2.100 2.560 4.552 43 HG3 ARG 6 1HG ARG 6 -0.405 2.835 4.127 44 HD2 ARG 6 2HD ARG 6 -0.418 4.900 5.445 45 HD3 ARG 6 1HD ARG 6 -2.098 4.609 5.878 46 HE ARG 6 HE ARG 6 -0.697 2.364 6.604 47 HH11 ARG 6 1HH1 ARG 6 -0.754 5.799 7.494 48 HH12 ARG 6 2HH1 ARG 6 -0.157 5.544 9.063 49 HH21 ARG 6 1HH2 ARG 6 0.085 2.027 8.806 50 HH22 ARG 6 2HH2 ARG 6 0.329 3.380 9.830 51 H LYS 7 H LYS 7 -4.525 3.929 2.246 52 HA LYS 7 HA LYS 7 -5.521 1.522 3.295 53 HB2 LYS 7 2HB LYS 7 -6.579 3.821 3.330 54 HB3 LYS 7 1HB LYS 7 -6.964 3.559 1.635 55 HG2 LYS 7 2HG LYS 7 -8.911 3.137 2.944 56 HG3 LYS 7 1HG LYS 7 -8.327 1.631 2.259 57 HD2 LYS 7 2HD LYS 7 -7.396 0.910 4.317 58 HD3 LYS 7 1HD LYS 7 -7.602 2.501 5.047 59 HE2 LYS 7 2HE LYS 7 -9.272 0.872 5.833 60 HE3 LYS 7 1HE LYS 7 -10.001 2.248 5.012 61 HZ1 LYS 7 1HZ LYS 7 -10.972 0.119 4.422 62 HZ2 LYS 7 2HZ LYS 7 -9.514 -0.403 3.759 63 HZ3 LYS 7 3HZ LYS 7 -10.358 0.909 3.079 64 H GLU 8 H GLU 8 -5.345 2.812 0.026 65 HA GLU 8 HA GLU 8 -6.825 0.847 -1.252 66 HB2 GLU 8 2HB GLU 8 -5.697 3.198 -1.994 67 HB3 GLU 8 1HB GLU 8 -4.553 2.095 -2.728 68 HG2 GLU 8 2HG GLU 8 -7.518 2.166 -3.265 69 HG3 GLU 8 1HG GLU 8 -6.280 2.869 -4.289 70 H CYS 9 H CYS 9 -3.372 1.216 -0.587 71 HA CYS 9 HA CYS 9 -2.353 -1.129 -1.786 72 HB2 CYS 9 2HB CYS 9 -1.319 0.349 0.640 73 HB3 CYS 9 1HB CYS 9 -0.417 -0.842 -0.282 74 H GLU 10 H GLU 10 -3.607 -0.471 1.427 75 HA GLU 10 HA GLU 10 -2.939 -2.868 2.733 76 HB2 GLU 10 2HB GLU 10 -3.747 -0.635 3.698 77 HB3 GLU 10 1HB GLU 10 -5.363 -1.150 3.262 78 HG2 GLU 10 2HG GLU 10 -4.988 -1.576 5.586 79 HG3 GLU 10 1HG GLU 10 -5.089 -3.114 4.728 80 H LYS 11 H LYS 11 -5.670 -1.839 0.842 81 HA LYS 11 HA LYS 11 -7.218 -4.207 1.166 82 HB2 LYS 11 2HB LYS 11 -8.259 -2.102 0.644 83 HB3 LYS 11 1HB LYS 11 -7.328 -1.952 -0.832 84 HG2 LYS 11 2HG LYS 11 -8.511 -3.869 -1.785 85 HG3 LYS 11 1HG LYS 11 -9.436 -4.040 -0.294 86 HD2 LYS 11 2HD LYS 11 -9.433 -1.563 -2.017 87 HD3 LYS 11 1HD LYS 11 -10.652 -2.831 -2.116 88 HE2 LYS 11 2HE LYS 11 -11.258 -2.431 0.222 89 HE3 LYS 11 1HE LYS 11 -10.017 -1.191 0.342 90 HZ1 LYS 11 1HZ LYS 11 -12.369 -1.052 -1.479 91 HZ2 LYS 11 2HZ LYS 11 -11.215 0.169 -1.208 92 HZ3 LYS 11 3HZ LYS 11 -12.226 -0.307 0.019 93 H LYS 12 H LYS 12 -5.333 -2.914 -1.555 94 HA LYS 12 HA LYS 12 -5.780 -5.014 -3.338 95 HB2 LYS 12 2HB LYS 12 -3.712 -2.880 -3.206 96 HB3 LYS 12 1HB LYS 12 -3.648 -4.112 -4.448 97 HG2 LYS 12 2HG LYS 12 -5.963 -2.258 -3.961 98 HG3 LYS 12 1HG LYS 12 -4.718 -2.035 -5.190 99 HD2 LYS 12 2HD LYS 12 -5.357 -4.276 -6.114 100 HD3 LYS 12 1HD LYS 12 -6.724 -4.274 -4.999 101 HE2 LYS 12 2HE LYS 12 -6.170 -2.200 -7.097 102 HE3 LYS 12 1HE LYS 12 -7.344 -3.503 -7.242 103 HZ1 LYS 12 1HZ LYS 12 -7.427 -1.343 -5.192 104 HZ2 LYS 12 2HZ LYS 12 -8.600 -2.545 -5.436 105 HZ3 LYS 12 3HZ LYS 12 -8.301 -1.383 -6.625 106 H TYR 13 H TYR 13 -3.001 -4.555 -1.174 107 HA TYR 13 HA TYR 13 -1.950 -7.026 -2.334 108 HB2 TYR 13 2HB TYR 13 -0.472 -4.862 -0.844 109 HB3 TYR 13 1HB TYR 13 0.248 -6.301 -1.560 110 HD1 TYR 13 1HD TYR 13 0.205 -6.578 -4.057 111 HD2 TYR 13 2HD TYR 13 -0.956 -2.957 -2.163 112 HE1 TYR 13 1HE TYR 13 0.426 -5.406 -6.182 113 HE2 TYR 13 2HE TYR 13 -0.731 -1.770 -4.279 114 HH TYR 13 HH TYR 13 0.524 -2.065 -6.429 115 H THR 14 H THR 14 -2.266 -8.775 -1.211 116 HA THR 14 HA THR 14 -2.579 -8.666 1.643 117 HB THR 14 HB THR 14 -2.876 -11.183 1.335 118 HG1 THR 14 1HG THR 14 -2.079 -11.842 -0.505 119 HG21 THR 14 1HG2 THR 14 -4.664 -9.382 -0.314 120 HG22 THR 14 2HG2 THR 14 -4.833 -9.703 1.413 121 HG23 THR 14 3HG2 THR 14 -5.085 -10.997 0.249 122 H ASP 15 H ASP 15 -0.150 -9.083 -0.664 123 HA ASP 15 HA ASP 15 1.621 -10.678 0.932 124 HB2 ASP 15 2HB ASP 15 1.719 -10.871 -1.492 125 HB3 ASP 15 1HB ASP 15 2.123 -9.162 -1.637 126 HA PRO 16 HA PRO 16 3.206 -7.353 3.422 127 HB2 PRO 16 2HB PRO 16 5.641 -9.041 3.531 128 HB3 PRO 16 1HB PRO 16 4.676 -8.354 4.845 129 HG2 PRO 16 2HG PRO 16 4.522 -10.941 4.275 130 HG3 PRO 16 1HG PRO 16 3.072 -10.017 4.714 131 HD2 PRO 16 2HD PRO 16 3.991 -10.928 2.019 132 HD3 PRO 16 1HD PRO 16 2.359 -10.874 2.723 133 H LYS 17 H LYS 17 5.266 -8.685 0.780 134 HA LYS 17 HA LYS 17 7.068 -6.441 0.969 135 HB2 LYS 17 2HB LYS 17 6.832 -8.578 -1.152 136 HB3 LYS 17 1HB LYS 17 8.006 -7.286 -1.206 137 HG2 LYS 17 2HG LYS 17 9.180 -9.146 -0.431 138 HG3 LYS 17 1HG LYS 17 8.863 -8.187 1.009 139 HD2 LYS 17 2HD LYS 17 7.087 -9.668 1.664 140 HD3 LYS 17 1HD LYS 17 7.207 -10.556 0.141 141 HE2 LYS 17 2HE LYS 17 9.549 -11.143 0.739 142 HE3 LYS 17 1HE LYS 17 9.304 -10.375 2.302 143 HZ1 LYS 17 1HZ LYS 17 7.566 -11.983 2.777 144 HZ2 LYS 17 2HZ LYS 17 9.003 -12.782 2.370 145 HZ3 LYS 17 3HZ LYS 17 7.760 -12.672 1.255 146 H LYS 18 H LYS 18 4.504 -7.519 -1.120 147 HA LYS 18 HA LYS 18 4.642 -5.315 -2.877 148 HB2 LYS 18 2HB LYS 18 2.363 -7.172 -2.228 149 HB3 LYS 18 1HB LYS 18 2.281 -5.939 -3.476 150 HG2 LYS 18 2HG LYS 18 4.286 -8.186 -3.418 151 HG3 LYS 18 1HG LYS 18 2.792 -8.172 -4.365 152 HD2 LYS 18 2HD LYS 18 3.537 -6.243 -5.596 153 HD3 LYS 18 1HD LYS 18 5.000 -6.118 -4.623 154 HE2 LYS 18 2HE LYS 18 5.525 -7.152 -6.739 155 HE3 LYS 18 1HE LYS 18 5.701 -8.322 -5.439 156 HZ1 LYS 18 1HZ LYS 18 3.421 -8.105 -7.317 157 HZ2 LYS 18 2HZ LYS 18 3.500 -9.191 -6.027 158 HZ3 LYS 18 3HZ LYS 18 4.601 -9.306 -7.302 159 H ARG 19 H ARG 19 2.877 -5.816 0.100 160 HA ARG 19 HA ARG 19 1.507 -3.341 0.003 161 HB2 ARG 19 2HB ARG 19 0.842 -5.227 1.474 162 HB3 ARG 19 1HB ARG 19 2.292 -4.963 2.431 163 HG2 ARG 19 2HG ARG 19 1.494 -2.772 3.087 164 HG3 ARG 19 1HG ARG 19 0.063 -2.969 2.071 165 HD2 ARG 19 2HD ARG 19 0.813 -4.675 4.443 166 HD3 ARG 19 1HD ARG 19 -0.455 -3.448 4.403 167 HE ARG 19 HE ARG 19 -1.116 -5.123 2.375 168 HH11 ARG 19 1HH1 ARG 19 -0.494 -5.657 5.804 169 HH12 ARG 19 2HH1 ARG 19 -1.563 -6.975 5.920 170 HH21 ARG 19 1HH2 ARG 19 -2.554 -6.898 2.546 171 HH22 ARG 19 2HH2 ARG 19 -2.758 -7.708 4.038 172 H GLU 20 H GLU 20 4.634 -4.351 1.255 173 HA GLU 20 HA GLU 20 5.448 -2.027 2.599 174 HB2 GLU 20 2HB GLU 20 6.586 -4.268 2.639 175 HB3 GLU 20 1HB GLU 20 7.127 -3.974 1.004 176 HG2 GLU 20 2HG GLU 20 8.896 -3.581 2.615 177 HG3 GLU 20 1HG GLU 20 8.469 -2.100 1.760 178 H GLU 21 H GLU 21 6.101 -3.113 -0.701 179 HA GLU 21 HA GLU 21 7.371 -0.818 -1.646 180 HB2 GLU 21 2HB GLU 21 5.842 -2.984 -3.032 181 HB3 GLU 21 1HB GLU 21 6.627 -1.679 -3.904 182 HG2 GLU 21 2HG GLU 21 7.997 -3.622 -2.048 183 HG3 GLU 21 1HG GLU 21 7.985 -3.732 -3.809 184 H CYS 22 H CYS 22 3.964 -1.677 -1.584 185 HA CYS 22 HA CYS 22 3.224 0.529 -3.165 186 HB2 CYS 22 2HB CYS 22 1.836 -1.558 -2.826 187 HB3 CYS 22 1HB CYS 22 1.429 -0.940 -1.231 188 H LYS 23 H LYS 23 3.363 -0.061 0.340 189 HA LYS 23 HA LYS 23 2.296 2.296 1.365 190 HB2 LYS 23 2HB LYS 23 2.917 0.377 2.731 191 HB3 LYS 23 1HB LYS 23 4.606 0.631 2.324 192 HG2 LYS 23 2HG LYS 23 4.430 2.873 3.482 193 HG3 LYS 23 1HG LYS 23 2.846 2.357 4.061 194 HD2 LYS 23 2HD LYS 23 4.567 1.944 5.753 195 HD3 LYS 23 1HD LYS 23 3.897 0.419 5.165 196 HE2 LYS 23 2HE LYS 23 5.825 0.116 3.700 197 HE3 LYS 23 1HE LYS 23 6.470 1.676 4.209 198 HZ1 LYS 23 1HZ LYS 23 7.446 -0.286 5.198 199 HZ2 LYS 23 2HZ LYS 23 6.012 -0.620 6.022 200 HZ3 LYS 23 3HZ LYS 23 6.882 0.808 6.349 201 H ARG 24 H ARG 24 5.438 1.603 0.042 202 HA ARG 24 HA ARG 24 6.709 4.006 0.809 203 HB2 ARG 24 2HB ARG 24 7.365 1.947 -1.280 204 HB3 ARG 24 1HB ARG 24 8.396 3.341 -0.946 205 HG2 ARG 24 2HG ARG 24 8.719 2.662 1.290 206 HG3 ARG 24 1HG ARG 24 7.539 1.363 1.141 207 HD2 ARG 24 2HD ARG 24 8.994 0.176 -0.365 208 HD3 ARG 24 1HD ARG 24 10.128 1.528 -0.403 209 HE ARG 24 HE ARG 24 10.021 1.024 2.186 210 HH11 ARG 24 1HH1 ARG 24 10.303 -1.368 -0.460 211 HH12 ARG 24 2HH1 ARG 24 11.367 -2.346 0.426 212 HH21 ARG 24 1HH2 ARG 24 11.480 -0.377 3.337 213 HH22 ARG 24 2HH2 ARG 24 12.049 -1.805 2.595 214 H LYS 25 H LYS 25 4.592 3.248 -1.774 215 HA LYS 25 HA LYS 25 5.212 5.754 -3.134 216 HB2 LYS 25 2HB LYS 25 4.879 3.712 -4.509 217 HB3 LYS 25 1HB LYS 25 3.270 3.533 -3.839 218 HG2 LYS 25 2HG LYS 25 3.207 4.456 -6.086 219 HG3 LYS 25 1HG LYS 25 2.568 5.602 -4.906 220 HD2 LYS 25 2HD LYS 25 4.722 6.795 -4.919 221 HD3 LYS 25 1HD LYS 25 5.344 5.650 -6.112 222 HE2 LYS 25 2HE LYS 25 2.988 7.493 -6.485 223 HE3 LYS 25 1HE LYS 25 4.600 7.743 -7.149 224 HZ1 LYS 25 1HZ LYS 25 3.053 6.785 -8.752 225 HZ2 LYS 25 2HZ LYS 25 2.861 5.422 -7.775 226 HZ3 LYS 25 3HZ LYS 25 4.357 5.765 -8.460 227 H ALA 26 H ALA 26 3.035 4.287 -0.965 228 HA ALA 26 HA ALA 26 0.850 6.062 -1.286 229 HB1 ALA 26 1HB ALA 26 1.487 4.204 0.988 230 HB2 ALA 26 2HB ALA 26 0.578 3.767 -0.460 231 HB3 ALA 26 3HB ALA 26 -0.069 4.965 0.664 Start of MODEL 11 1 H HIS 1 H HIS 1 2.091 7.958 -0.600 2 HA HIS 1 HA HIS 1 2.849 7.447 2.159 3 HB2 HIS 1 2HB HIS 1 3.024 9.951 0.464 4 HB3 HIS 1 1HB HIS 1 3.509 9.875 2.151 5 HD1 HIS 1 1HD HIS 1 4.760 9.252 -1.262 6 HD2 HIS 1 2HD HIS 1 5.772 8.163 2.621 7 HE1 HIS 1 1HE HIS 1 7.130 8.409 -1.368 8 H ASP 2 H ASP 2 0.198 8.429 0.392 9 HA ASP 2 HA ASP 2 -0.972 9.991 2.545 10 HB2 ASP 2 2HB ASP 2 -2.041 9.290 -0.195 11 HB3 ASP 2 1HB ASP 2 -2.911 10.245 0.996 12 HA PRO 3 HA PRO 3 -2.896 6.722 4.652 13 HB2 PRO 3 2HB PRO 3 -5.361 7.921 5.170 14 HB3 PRO 3 1HB PRO 3 -3.914 8.049 6.174 15 HG2 PRO 3 2HG PRO 3 -4.976 9.929 4.116 16 HG3 PRO 3 1HG PRO 3 -4.177 10.288 5.656 17 HD2 PRO 3 2HD PRO 3 -2.880 10.536 3.348 18 HD3 PRO 3 1HD PRO 3 -2.053 9.891 4.784 19 H GLU 4 H GLU 4 -5.184 8.292 2.370 20 HA GLU 4 HA GLU 4 -6.885 6.036 2.201 21 HB2 GLU 4 2HB GLU 4 -7.611 8.316 1.588 22 HB3 GLU 4 1HB GLU 4 -6.498 8.280 0.226 23 HG2 GLU 4 2HG GLU 4 -7.756 6.413 -0.736 24 HG3 GLU 4 1HG GLU 4 -8.901 6.514 0.594 25 H LYS 5 H LYS 5 -4.199 7.167 0.241 26 HA LYS 5 HA LYS 5 -4.464 5.234 -1.819 27 HB2 LYS 5 2HB LYS 5 -1.935 6.661 -0.973 28 HB3 LYS 5 1HB LYS 5 -2.222 5.887 -2.520 29 HG2 LYS 5 2HG LYS 5 -3.515 8.395 -1.455 30 HG3 LYS 5 1HG LYS 5 -2.381 8.261 -2.797 31 HD2 LYS 5 2HD LYS 5 -5.191 7.180 -2.678 32 HD3 LYS 5 1HD LYS 5 -4.660 8.585 -3.595 33 HE2 LYS 5 2HE LYS 5 -3.209 7.102 -4.957 34 HE3 LYS 5 1HE LYS 5 -3.805 5.723 -4.043 35 HZ1 LYS 5 1HZ LYS 5 -5.476 7.518 -5.705 36 HZ2 LYS 5 2HZ LYS 5 -6.044 6.207 -4.831 37 HZ3 LYS 5 3HZ LYS 5 -4.995 5.961 -6.131 38 H ARG 6 H ARG 6 -2.721 5.386 1.176 39 HA ARG 6 HA ARG 6 -1.248 3.011 0.844 40 HB2 ARG 6 2HB ARG 6 -0.630 4.805 2.402 41 HB3 ARG 6 1HB ARG 6 -2.053 4.451 3.366 42 HG2 ARG 6 2HG ARG 6 -1.179 2.295 3.951 43 HG3 ARG 6 1HG ARG 6 0.201 2.527 2.870 44 HD2 ARG 6 2HD ARG 6 -0.454 4.245 5.254 45 HD3 ARG 6 1HD ARG 6 0.767 2.971 5.215 46 HE ARG 6 HE ARG 6 1.354 4.683 3.132 47 HH11 ARG 6 1HH1 ARG 6 1.116 4.968 6.661 48 HH12 ARG 6 2HH1 ARG 6 2.365 6.107 6.793 49 HH21 ARG 6 1HH2 ARG 6 3.129 6.201 3.336 50 HH22 ARG 6 2HH2 ARG 6 3.537 6.822 4.866 51 H LYS 7 H LYS 7 -4.404 3.720 2.314 52 HA LYS 7 HA LYS 7 -4.946 1.137 3.300 53 HB2 LYS 7 2HB LYS 7 -6.368 3.143 3.812 54 HB3 LYS 7 1HB LYS 7 -6.914 3.091 2.131 55 HG2 LYS 7 2HG LYS 7 -7.877 0.915 2.453 56 HG3 LYS 7 1HG LYS 7 -7.330 0.875 4.120 57 HD2 LYS 7 2HD LYS 7 -8.749 2.908 4.531 58 HD3 LYS 7 1HD LYS 7 -9.333 2.735 2.874 59 HE2 LYS 7 2HE LYS 7 -10.909 1.752 4.424 60 HE3 LYS 7 1HE LYS 7 -10.191 0.520 3.390 61 HZ1 LYS 7 1HZ LYS 7 -10.333 -0.172 5.715 62 HZ2 LYS 7 2HZ LYS 7 -9.347 1.104 6.182 63 HZ3 LYS 7 3HZ LYS 7 -8.728 -0.120 5.219 64 H GLU 8 H GLU 8 -5.596 2.697 0.243 65 HA GLU 8 HA GLU 8 -6.957 0.762 -1.086 66 HB2 GLU 8 2HB GLU 8 -6.547 3.083 -1.857 67 HB3 GLU 8 1HB GLU 8 -4.875 2.683 -2.167 68 HG2 GLU 8 2HG GLU 8 -5.993 2.776 -4.246 69 HG3 GLU 8 1HG GLU 8 -5.669 1.080 -3.901 70 H CYS 9 H CYS 9 -3.429 1.274 -0.866 71 HA CYS 9 HA CYS 9 -2.528 -0.937 -2.356 72 HB2 CYS 9 2HB CYS 9 -1.208 0.428 -0.013 73 HB3 CYS 9 1HB CYS 9 -0.425 -0.728 -1.075 74 H GLU 10 H GLU 10 -3.127 -0.614 1.116 75 HA GLU 10 HA GLU 10 -2.249 -3.165 1.911 76 HB2 GLU 10 2HB GLU 10 -2.481 -1.268 3.429 77 HB3 GLU 10 1HB GLU 10 -4.212 -1.243 3.172 78 HG2 GLU 10 2HG GLU 10 -4.470 -3.311 4.353 79 HG3 GLU 10 1HG GLU 10 -2.721 -3.518 4.460 80 H LYS 11 H LYS 11 -5.238 -2.042 0.641 81 HA LYS 11 HA LYS 11 -6.821 -4.351 1.262 82 HB2 LYS 11 2HB LYS 11 -7.761 -2.102 0.889 83 HB3 LYS 11 1HB LYS 11 -7.157 -2.163 -0.755 84 HG2 LYS 11 2HG LYS 11 -8.673 -4.089 -1.178 85 HG3 LYS 11 1HG LYS 11 -9.337 -3.864 0.444 86 HD2 LYS 11 2HD LYS 11 -10.760 -2.769 -1.195 87 HD3 LYS 11 1HD LYS 11 -9.978 -1.562 -0.172 88 HE2 LYS 11 2HE LYS 11 -8.277 -1.194 -1.924 89 HE3 LYS 11 1HE LYS 11 -9.089 -2.394 -2.926 90 HZ1 LYS 11 1HZ LYS 11 -10.282 0.125 -1.968 91 HZ2 LYS 11 2HZ LYS 11 -10.959 -0.924 -3.118 92 HZ3 LYS 11 3HZ LYS 11 -9.509 -0.085 -3.431 93 H LYS 12 H LYS 12 -5.165 -3.080 -1.593 94 HA LYS 12 HA LYS 12 -5.950 -5.102 -3.410 95 HB2 LYS 12 2HB LYS 12 -5.206 -2.835 -4.066 96 HB3 LYS 12 1HB LYS 12 -3.584 -3.233 -3.543 97 HG2 LYS 12 2HG LYS 12 -3.398 -4.929 -5.277 98 HG3 LYS 12 1HG LYS 12 -5.059 -4.619 -5.787 99 HD2 LYS 12 2HD LYS 12 -4.422 -2.284 -6.327 100 HD3 LYS 12 1HD LYS 12 -2.763 -2.659 -5.875 101 HE2 LYS 12 2HE LYS 12 -4.303 -4.022 -8.083 102 HE3 LYS 12 1HE LYS 12 -3.179 -2.690 -8.328 103 HZ1 LYS 12 1HZ LYS 12 -1.404 -4.109 -7.427 104 HZ2 LYS 12 2HZ LYS 12 -2.103 -4.740 -8.792 105 HZ3 LYS 12 3HZ LYS 12 -2.498 -5.408 -7.302 106 H TYR 13 H TYR 13 -2.923 -4.561 -1.654 107 HA TYR 13 HA TYR 13 -1.909 -7.094 -2.661 108 HB2 TYR 13 2HB TYR 13 -0.529 -4.860 -1.179 109 HB3 TYR 13 1HB TYR 13 0.249 -6.319 -1.783 110 HD1 TYR 13 1HD TYR 13 -0.896 -3.004 -2.594 111 HD2 TYR 13 2HD TYR 13 0.304 -6.720 -4.266 112 HE1 TYR 13 1HE TYR 13 -0.545 -1.909 -4.765 113 HE2 TYR 13 2HE TYR 13 0.669 -5.639 -6.428 114 HH TYR 13 HH TYR 13 0.755 -2.304 -6.841 115 H THR 14 H THR 14 -2.272 -8.820 -1.451 116 HA THR 14 HA THR 14 -2.785 -8.537 1.364 117 HB THR 14 HB THR 14 -2.541 -11.093 -0.264 118 HG1 THR 14 1HG THR 14 -5.030 -10.657 0.027 119 HG21 THR 14 1HG2 THR 14 -4.070 -10.467 2.278 120 HG22 THR 14 2HG2 THR 14 -2.557 -11.363 2.201 121 HG23 THR 14 3HG2 THR 14 -4.013 -12.031 1.463 122 H ASP 15 H ASP 15 -0.141 -9.223 -0.706 123 HA ASP 15 HA ASP 15 1.542 -10.529 1.198 124 HB2 ASP 15 2HB ASP 15 1.994 -10.823 -1.179 125 HB3 ASP 15 1HB ASP 15 2.193 -9.094 -1.385 126 HA PRO 16 HA PRO 16 2.391 -6.943 3.712 127 HB2 PRO 16 2HB PRO 16 4.838 -8.366 4.480 128 HB3 PRO 16 1HB PRO 16 3.498 -7.808 5.479 129 HG2 PRO 16 2HG PRO 16 3.985 -10.440 4.751 130 HG3 PRO 16 1HG PRO 16 2.445 -9.834 5.365 131 HD2 PRO 16 2HD PRO 16 3.140 -10.710 2.667 132 HD3 PRO 16 1HD PRO 16 1.556 -10.338 3.354 133 H LYS 17 H LYS 17 4.957 -8.440 1.738 134 HA LYS 17 HA LYS 17 6.576 -6.092 1.879 135 HB2 LYS 17 2HB LYS 17 6.804 -8.551 0.139 136 HB3 LYS 17 1HB LYS 17 7.964 -7.226 0.089 137 HG2 LYS 17 2HG LYS 17 7.338 -8.944 2.491 138 HG3 LYS 17 1HG LYS 17 8.779 -9.067 1.475 139 HD2 LYS 17 2HD LYS 17 9.413 -6.790 2.101 140 HD3 LYS 17 1HD LYS 17 7.957 -6.635 3.061 141 HE2 LYS 17 2HE LYS 17 8.717 -8.459 4.509 142 HE3 LYS 17 1HE LYS 17 10.220 -8.537 3.583 143 HZ1 LYS 17 1HZ LYS 17 9.234 -6.098 4.924 144 HZ2 LYS 17 2HZ LYS 17 10.770 -6.330 4.245 145 HZ3 LYS 17 3HZ LYS 17 10.353 -7.135 5.654 146 H LYS 18 H LYS 18 4.330 -7.353 -0.460 147 HA LYS 18 HA LYS 18 4.616 -5.293 -2.370 148 HB2 LYS 18 2HB LYS 18 2.279 -7.035 -1.635 149 HB3 LYS 18 1HB LYS 18 2.183 -5.844 -2.915 150 HG2 LYS 18 2HG LYS 18 4.129 -8.137 -2.848 151 HG3 LYS 18 1HG LYS 18 2.598 -8.128 -3.719 152 HD2 LYS 18 2HD LYS 18 3.334 -6.211 -5.028 153 HD3 LYS 18 1HD LYS 18 4.878 -6.209 -4.179 154 HE2 LYS 18 2HE LYS 18 5.092 -7.271 -6.329 155 HE3 LYS 18 1HE LYS 18 5.354 -8.441 -5.041 156 HZ1 LYS 18 1HZ LYS 18 3.097 -9.283 -5.413 157 HZ2 LYS 18 2HZ LYS 18 4.006 -9.336 -6.821 158 HZ3 LYS 18 3HZ LYS 18 2.855 -8.137 -6.632 159 H ARG 19 H ARG 19 2.729 -5.549 0.561 160 HA ARG 19 HA ARG 19 1.308 -3.141 0.312 161 HB2 ARG 19 2HB ARG 19 0.810 -4.898 2.042 162 HB3 ARG 19 1HB ARG 19 2.263 -4.412 2.900 163 HG2 ARG 19 2HG ARG 19 1.325 -2.185 3.260 164 HG3 ARG 19 1HG ARG 19 -0.119 -2.645 2.368 165 HD2 ARG 19 2HD ARG 19 -0.577 -2.772 4.736 166 HD3 ARG 19 1HD ARG 19 -0.567 -4.398 4.062 167 HE ARG 19 HE ARG 19 1.910 -4.252 4.952 168 HH11 ARG 19 1HH1 ARG 19 -1.054 -3.124 6.611 169 HH12 ARG 19 2HH1 ARG 19 -0.435 -3.468 8.152 170 HH21 ARG 19 1HH2 ARG 19 2.710 -4.670 7.130 171 HH22 ARG 19 2HH2 ARG 19 1.706 -4.295 8.455 172 H GLU 20 H GLU 20 4.435 -3.848 1.845 173 HA GLU 20 HA GLU 20 5.122 -1.229 2.603 174 HB2 GLU 20 2HB GLU 20 6.920 -3.525 1.789 175 HB3 GLU 20 1HB GLU 20 7.499 -2.023 2.481 176 HG2 GLU 20 2HG GLU 20 6.201 -2.519 4.530 177 HG3 GLU 20 1HG GLU 20 5.735 -4.057 3.794 178 H GLU 21 H GLU 21 5.696 -3.024 -0.389 179 HA GLU 21 HA GLU 21 7.298 -1.259 -1.753 180 HB2 GLU 21 2HB GLU 21 6.814 -3.629 -2.339 181 HB3 GLU 21 1HB GLU 21 5.201 -3.113 -2.823 182 HG2 GLU 21 2HG GLU 21 6.121 -1.702 -4.507 183 HG3 GLU 21 1HG GLU 21 7.750 -2.162 -3.997 184 H CYS 22 H CYS 22 3.761 -1.642 -1.868 185 HA CYS 22 HA CYS 22 3.377 0.466 -3.689 186 HB2 CYS 22 2HB CYS 22 1.759 -1.413 -3.217 187 HB3 CYS 22 1HB CYS 22 1.381 -0.605 -1.700 188 H LYS 23 H LYS 23 3.418 0.251 -0.182 189 HA LYS 23 HA LYS 23 2.497 2.817 0.471 190 HB2 LYS 23 2HB LYS 23 2.548 1.044 2.097 191 HB3 LYS 23 1HB LYS 23 4.281 0.866 1.922 192 HG2 LYS 23 2HG LYS 23 4.616 3.039 2.941 193 HG3 LYS 23 1HG LYS 23 2.870 3.250 3.095 194 HD2 LYS 23 2HD LYS 23 2.725 1.400 4.598 195 HD3 LYS 23 1HD LYS 23 4.413 0.977 4.326 196 HE2 LYS 23 2HE LYS 23 3.397 3.515 5.606 197 HE3 LYS 23 1HE LYS 23 4.106 2.148 6.461 198 HZ1 LYS 23 1HZ LYS 23 5.696 3.901 6.148 199 HZ2 LYS 23 2HZ LYS 23 5.529 3.857 4.474 200 HZ3 LYS 23 3HZ LYS 23 6.185 2.540 5.306 201 H ARG 24 H ARG 24 5.524 1.782 -0.826 202 HA ARG 24 HA ARG 24 7.156 3.919 0.077 203 HB2 ARG 24 2HB ARG 24 7.412 2.258 -2.440 204 HB3 ARG 24 1HB ARG 24 8.647 3.347 -1.833 205 HG2 ARG 24 2HG ARG 24 8.833 1.974 0.193 206 HG3 ARG 24 1HG ARG 24 7.618 0.873 -0.458 207 HD2 ARG 24 2HD ARG 24 9.824 -0.028 -0.841 208 HD3 ARG 24 1HD ARG 24 9.108 0.440 -2.384 209 HE ARG 24 HE ARG 24 10.490 2.620 -1.651 210 HH11 ARG 24 1HH1 ARG 24 11.458 -0.771 -2.034 211 HH12 ARG 24 2HH1 ARG 24 13.084 -0.404 -2.360 212 HH21 ARG 24 1HH2 ARG 24 12.664 3.114 -2.059 213 HH22 ARG 24 2HH2 ARG 24 13.810 1.887 -2.379 214 H LYS 25 H LYS 25 4.715 3.667 -2.286 215 HA LYS 25 HA LYS 25 5.406 6.333 -3.287 216 HB2 LYS 25 2HB LYS 25 5.191 4.547 -5.004 217 HB3 LYS 25 1HB LYS 25 3.533 4.278 -4.486 218 HG2 LYS 25 2HG LYS 25 2.925 6.515 -5.183 219 HG3 LYS 25 1HG LYS 25 4.595 6.849 -5.641 220 HD2 LYS 25 2HD LYS 25 4.469 5.015 -7.287 221 HD3 LYS 25 1HD LYS 25 2.773 4.780 -6.860 222 HE2 LYS 25 2HE LYS 25 2.279 7.064 -7.547 223 HE3 LYS 25 1HE LYS 25 3.972 7.316 -7.971 224 HZ1 LYS 25 1HZ LYS 25 2.666 6.814 -9.917 225 HZ2 LYS 25 2HZ LYS 25 2.113 5.385 -9.241 226 HZ3 LYS 25 3HZ LYS 25 3.746 5.551 -9.633 227 H ALA 26 H ALA 26 2.900 4.312 -1.908 228 HA ALA 26 HA ALA 26 1.020 6.447 -1.746 229 HB1 ALA 26 1HB ALA 26 -0.429 4.860 -0.630 230 HB2 ALA 26 2HB ALA 26 0.904 3.719 -0.483 231 HB3 ALA 26 3HB ALA 26 0.277 4.139 -2.074 Start of MODEL 12 1 H HIS 1 H HIS 1 1.604 8.853 -2.324 2 HA HIS 1 HA HIS 1 2.297 9.313 0.493 3 HB2 HIS 1 2HB HIS 1 2.366 11.254 -1.822 4 HB3 HIS 1 1HB HIS 1 2.474 11.746 -0.136 5 HD1 HIS 1 1HD HIS 1 4.550 10.750 -2.939 6 HD2 HIS 1 2HD HIS 1 4.757 10.582 1.191 7 HE1 HIS 1 1HE HIS 1 6.987 10.353 -2.382 8 H ASP 2 H ASP 2 -0.123 8.496 -1.220 9 HA ASP 2 HA ASP 2 -2.076 10.525 -0.733 10 HB2 ASP 2 2HB ASP 2 -2.527 7.572 -1.268 11 HB3 ASP 2 1HB ASP 2 -3.732 8.830 -1.352 12 HA PRO 3 HA PRO 3 -2.912 9.251 3.504 13 HB2 PRO 3 2HB PRO 3 -5.664 10.183 3.236 14 HB3 PRO 3 1HB PRO 3 -4.366 10.875 4.205 15 HG2 PRO 3 2HG PRO 3 -5.387 12.095 1.988 16 HG3 PRO 3 1HG PRO 3 -3.725 12.325 2.551 17 HD2 PRO 3 2HD PRO 3 -4.739 10.625 0.295 18 HD3 PRO 3 1HD PRO 3 -3.249 11.588 0.435 19 H GLU 4 H GLU 4 -4.505 8.260 0.766 20 HA GLU 4 HA GLU 4 -6.303 6.293 1.930 21 HB2 GLU 4 2HB GLU 4 -5.597 6.887 -0.941 22 HB3 GLU 4 1HB GLU 4 -6.938 5.897 -0.385 23 HG2 GLU 4 2HG GLU 4 -8.026 7.797 0.570 24 HG3 GLU 4 1HG GLU 4 -6.629 8.821 0.247 25 H LYS 5 H LYS 5 -3.011 6.420 1.190 26 HA LYS 5 HA LYS 5 -2.545 4.196 -0.418 27 HB2 LYS 5 2HB LYS 5 -0.195 4.363 0.161 28 HB3 LYS 5 1HB LYS 5 -0.878 5.960 -0.025 29 HG2 LYS 5 2HG LYS 5 -0.981 6.231 2.395 30 HG3 LYS 5 1HG LYS 5 -0.324 4.607 2.613 31 HD2 LYS 5 2HD LYS 5 1.708 5.301 1.415 32 HD3 LYS 5 1HD LYS 5 1.040 6.922 1.246 33 HE2 LYS 5 2HE LYS 5 1.669 5.525 3.844 34 HE3 LYS 5 1HE LYS 5 2.639 6.788 3.092 35 HZ1 LYS 5 1HZ LYS 5 1.253 7.670 4.848 36 HZ2 LYS 5 2HZ LYS 5 -0.130 7.098 4.139 37 HZ3 LYS 5 3HZ LYS 5 0.768 8.318 3.375 38 H ARG 6 H ARG 6 -2.584 4.306 3.131 39 HA ARG 6 HA ARG 6 -1.653 1.675 3.434 40 HB2 ARG 6 2HB ARG 6 -1.506 3.303 5.265 41 HB3 ARG 6 1HB ARG 6 -3.258 3.370 5.366 42 HG2 ARG 6 2HG ARG 6 -3.340 1.073 6.118 43 HG3 ARG 6 1HG ARG 6 -1.597 0.923 5.899 44 HD2 ARG 6 2HD ARG 6 -1.197 2.544 7.651 45 HD3 ARG 6 1HD ARG 6 -2.931 2.831 7.824 46 HE ARG 6 HE ARG 6 -3.004 0.359 8.386 47 HH11 ARG 6 1HH1 ARG 6 -0.276 2.440 9.328 48 HH12 ARG 6 2HH1 ARG 6 0.171 1.468 10.650 49 HH21 ARG 6 1HH2 ARG 6 -2.386 -0.934 10.221 50 HH22 ARG 6 2HH2 ARG 6 -1.046 -0.492 11.158 51 H LYS 7 H LYS 7 -4.837 3.038 3.144 52 HA LYS 7 HA LYS 7 -6.273 0.663 3.819 53 HB2 LYS 7 2HB LYS 7 -7.180 2.999 3.980 54 HB3 LYS 7 1HB LYS 7 -7.167 3.040 2.221 55 HG2 LYS 7 2HG LYS 7 -8.793 1.226 2.161 56 HG3 LYS 7 1HG LYS 7 -8.826 1.201 3.925 57 HD2 LYS 7 2HD LYS 7 -9.560 3.557 3.919 58 HD3 LYS 7 1HD LYS 7 -9.584 3.526 2.158 59 HE2 LYS 7 2HE LYS 7 -11.818 3.218 2.967 60 HE3 LYS 7 1HE LYS 7 -11.259 1.702 2.265 61 HZ1 LYS 7 1HZ LYS 7 -12.432 1.343 4.311 62 HZ2 LYS 7 2HZ LYS 7 -11.383 2.349 5.166 63 HZ3 LYS 7 3HZ LYS 7 -10.821 0.893 4.524 64 H GLU 8 H GLU 8 -5.827 2.380 0.779 65 HA GLU 8 HA GLU 8 -7.050 0.564 -0.875 66 HB2 GLU 8 2HB GLU 8 -6.475 2.837 -1.552 67 HB3 GLU 8 1HB GLU 8 -4.766 2.451 -1.471 68 HG2 GLU 8 2HG GLU 8 -5.407 2.454 -3.767 69 HG3 GLU 8 1HG GLU 8 -5.122 0.785 -3.288 70 H CYS 9 H CYS 9 -3.674 0.866 0.102 71 HA CYS 9 HA CYS 9 -3.071 -1.294 -1.642 72 HB2 CYS 9 2HB CYS 9 -1.248 0.485 -0.074 73 HB3 CYS 9 1HB CYS 9 -0.652 -0.943 -0.930 74 H GLU 10 H GLU 10 -3.718 -1.081 1.745 75 HA GLU 10 HA GLU 10 -2.505 -3.585 2.266 76 HB2 GLU 10 2HB GLU 10 -3.179 -2.026 4.077 77 HB3 GLU 10 1HB GLU 10 -4.859 -2.337 3.676 78 HG2 GLU 10 2HG GLU 10 -4.607 -4.669 4.253 79 HG3 GLU 10 1HG GLU 10 -2.900 -4.424 4.608 80 H LYS 11 H LYS 11 -5.725 -2.552 1.246 81 HA LYS 11 HA LYS 11 -6.465 -5.327 1.212 82 HB2 LYS 11 2HB LYS 11 -8.115 -2.889 0.558 83 HB3 LYS 11 1HB LYS 11 -8.728 -4.539 0.524 84 HG2 LYS 11 2HG LYS 11 -7.718 -3.017 2.934 85 HG3 LYS 11 1HG LYS 11 -9.371 -3.546 2.617 86 HD2 LYS 11 2HD LYS 11 -8.529 -5.914 2.661 87 HD3 LYS 11 1HD LYS 11 -6.969 -5.289 3.186 88 HE2 LYS 11 2HE LYS 11 -9.585 -5.002 4.650 89 HE3 LYS 11 1HE LYS 11 -8.298 -6.118 5.063 90 HZ1 LYS 11 1HZ LYS 11 -8.278 -4.202 6.464 91 HZ2 LYS 11 2HZ LYS 11 -8.126 -3.152 5.169 92 HZ3 LYS 11 3HZ LYS 11 -6.860 -4.189 5.577 93 H LYS 12 H LYS 12 -5.045 -3.252 -0.970 94 HA LYS 12 HA LYS 12 -5.935 -4.725 -3.305 95 HB2 LYS 12 2HB LYS 12 -5.299 -2.363 -3.567 96 HB3 LYS 12 1HB LYS 12 -3.681 -2.725 -2.987 97 HG2 LYS 12 2HG LYS 12 -3.370 -4.216 -4.965 98 HG3 LYS 12 1HG LYS 12 -4.924 -3.649 -5.574 99 HD2 LYS 12 2HD LYS 12 -2.591 -1.845 -4.928 100 HD3 LYS 12 1HD LYS 12 -2.922 -2.483 -6.532 101 HE2 LYS 12 2HE LYS 12 -4.837 -0.777 -4.939 102 HE3 LYS 12 1HE LYS 12 -3.729 -0.160 -6.157 103 HZ1 LYS 12 1HZ LYS 12 -4.847 -1.603 -7.795 104 HZ2 LYS 12 2HZ LYS 12 -5.874 -0.471 -7.104 105 HZ3 LYS 12 3HZ LYS 12 -5.969 -2.069 -6.609 106 H TYR 13 H TYR 13 -3.133 -4.680 -1.122 107 HA TYR 13 HA TYR 13 -2.073 -6.961 -2.625 108 HB2 TYR 13 2HB TYR 13 -0.544 -5.056 -0.861 109 HB3 TYR 13 1HB TYR 13 0.126 -6.368 -1.810 110 HD1 TYR 13 1HD TYR 13 -0.883 -2.942 -1.733 111 HD2 TYR 13 2HD TYR 13 0.169 -6.109 -4.337 112 HE1 TYR 13 1HE TYR 13 -0.404 -1.306 -3.507 113 HE2 TYR 13 2HE TYR 13 0.657 -4.494 -6.117 114 HH TYR 13 HH TYR 13 0.065 -2.213 -6.735 115 H THR 14 H THR 14 -2.754 -8.758 -1.459 116 HA THR 14 HA THR 14 -2.633 -8.743 1.393 117 HB THR 14 HB THR 14 -2.823 -11.323 0.968 118 HG1 THR 14 1HG THR 14 -2.532 -11.685 -1.099 119 HG21 THR 14 1HG2 THR 14 -5.258 -11.114 0.627 120 HG22 THR 14 2HG2 THR 14 -5.037 -9.417 0.188 121 HG23 THR 14 3HG2 THR 14 -4.655 -9.968 1.820 122 H ASP 15 H ASP 15 -0.525 -9.151 -1.168 123 HA ASP 15 HA ASP 15 1.527 -10.703 0.033 124 HB2 ASP 15 2HB ASP 15 1.349 -10.376 -2.403 125 HB3 ASP 15 1HB ASP 15 1.664 -8.658 -2.195 126 HA PRO 16 HA PRO 16 2.691 -7.450 2.886 127 HB2 PRO 16 2HB PRO 16 5.155 -8.970 3.344 128 HB3 PRO 16 1HB PRO 16 3.848 -8.580 4.467 129 HG2 PRO 16 2HG PRO 16 4.240 -11.072 3.542 130 HG3 PRO 16 1HG PRO 16 2.625 -10.436 3.896 131 HD2 PRO 16 2HD PRO 16 3.992 -10.763 1.258 132 HD3 PRO 16 1HD PRO 16 2.305 -11.068 1.729 133 H LYS 17 H LYS 17 4.912 -8.588 0.381 134 HA LYS 17 HA LYS 17 6.806 -6.498 0.915 135 HB2 LYS 17 2HB LYS 17 6.594 -8.379 -1.436 136 HB3 LYS 17 1HB LYS 17 7.886 -7.215 -1.206 137 HG2 LYS 17 2HG LYS 17 8.490 -8.370 0.899 138 HG3 LYS 17 1HG LYS 17 7.263 -9.588 0.532 139 HD2 LYS 17 2HD LYS 17 8.405 -10.115 -1.567 140 HD3 LYS 17 1HD LYS 17 9.615 -8.883 -1.222 141 HE2 LYS 17 2HE LYS 17 10.482 -11.070 -0.683 142 HE3 LYS 17 1HE LYS 17 10.279 -10.128 0.793 143 HZ1 LYS 17 1HZ LYS 17 8.219 -11.342 1.215 144 HZ2 LYS 17 2HZ LYS 17 9.497 -12.417 1.061 145 HZ3 LYS 17 3HZ LYS 17 8.411 -12.223 -0.192 146 H LYS 18 H LYS 18 4.465 -7.186 -1.579 147 HA LYS 18 HA LYS 18 4.855 -4.810 -3.058 148 HB2 LYS 18 2HB LYS 18 2.377 -6.509 -2.812 149 HB3 LYS 18 1HB LYS 18 2.655 -5.292 -4.047 150 HG2 LYS 18 2HG LYS 18 4.539 -6.575 -4.895 151 HG3 LYS 18 1HG LYS 18 4.273 -7.791 -3.643 152 HD2 LYS 18 2HD LYS 18 2.037 -8.221 -4.547 153 HD3 LYS 18 1HD LYS 18 2.318 -7.020 -5.808 154 HE2 LYS 18 2HE LYS 18 2.695 -9.250 -6.676 155 HE3 LYS 18 1HE LYS 18 4.210 -8.359 -6.638 156 HZ1 LYS 18 1HZ LYS 18 3.323 -10.443 -4.716 157 HZ2 LYS 18 2HZ LYS 18 4.713 -9.509 -4.523 158 HZ3 LYS 18 3HZ LYS 18 4.595 -10.554 -5.825 159 H ARG 19 H ARG 19 2.769 -5.596 -0.360 160 HA ARG 19 HA ARG 19 1.308 -3.189 -0.307 161 HB2 ARG 19 2HB ARG 19 0.618 -5.245 0.868 162 HB3 ARG 19 1HB ARG 19 1.988 -5.078 1.944 163 HG2 ARG 19 2HG ARG 19 1.077 -3.142 2.950 164 HG3 ARG 19 1HG ARG 19 -0.186 -3.027 1.720 165 HD2 ARG 19 2HD ARG 19 -1.050 -3.964 3.792 166 HD3 ARG 19 1HD ARG 19 -1.137 -5.132 2.473 167 HE ARG 19 HE ARG 19 0.922 -5.132 4.558 168 HH11 ARG 19 1HH1 ARG 19 -1.258 -6.914 2.373 169 HH12 ARG 19 2HH1 ARG 19 -0.964 -8.428 3.109 170 HH21 ARG 19 1HH2 ARG 19 1.331 -7.245 5.500 171 HH22 ARG 19 2HH2 ARG 19 0.542 -8.635 4.928 172 H GLU 20 H GLU 20 4.233 -4.228 1.429 173 HA GLU 20 HA GLU 20 4.748 -1.857 2.802 174 HB2 GLU 20 2HB GLU 20 5.884 -3.866 3.425 175 HB3 GLU 20 1HB GLU 20 6.522 -4.089 1.815 176 HG2 GLU 20 2HG GLU 20 8.227 -3.429 3.456 177 HG3 GLU 20 1HG GLU 20 8.080 -2.282 2.134 178 H GLU 21 H GLU 21 5.591 -2.855 -0.474 179 HA GLU 21 HA GLU 21 7.212 -0.648 -1.089 180 HB2 GLU 21 2HB GLU 21 5.557 -2.366 -2.915 181 HB3 GLU 21 1HB GLU 21 6.660 -1.124 -3.479 182 HG2 GLU 21 2HG GLU 21 8.484 -2.374 -2.262 183 HG3 GLU 21 1HG GLU 21 7.306 -3.659 -1.999 184 H CYS 22 H CYS 22 3.736 -1.144 -1.680 185 HA CYS 22 HA CYS 22 3.418 1.351 -2.898 186 HB2 CYS 22 2HB CYS 22 1.660 -0.328 -3.119 187 HB3 CYS 22 1HB CYS 22 1.340 -0.248 -1.387 188 H LYS 23 H LYS 23 3.142 0.350 0.447 189 HA LYS 23 HA LYS 23 2.119 2.691 1.553 190 HB2 LYS 23 2HB LYS 23 2.125 0.551 2.705 191 HB3 LYS 23 1HB LYS 23 3.878 0.558 2.743 192 HG2 LYS 23 2HG LYS 23 3.914 2.320 4.346 193 HG3 LYS 23 1HG LYS 23 2.181 2.603 4.160 194 HD2 LYS 23 2HD LYS 23 2.659 1.348 6.214 195 HD3 LYS 23 1HD LYS 23 1.705 0.393 5.086 196 HE2 LYS 23 2HE LYS 23 3.381 -1.014 6.040 197 HE3 LYS 23 1HE LYS 23 3.800 -0.743 4.357 198 HZ1 LYS 23 1HZ LYS 23 5.753 -0.576 5.646 199 HZ2 LYS 23 2HZ LYS 23 5.031 0.450 6.764 200 HZ3 LYS 23 3HZ LYS 23 5.392 1.029 5.219 201 H ARG 24 H ARG 24 5.420 1.828 0.745 202 HA ARG 24 HA ARG 24 6.436 4.272 1.965 203 HB2 ARG 24 2HB ARG 24 8.662 3.481 1.322 204 HB3 ARG 24 1HB ARG 24 7.774 2.223 2.168 205 HG2 ARG 24 2HG ARG 24 7.304 1.100 0.106 206 HG3 ARG 24 1HG ARG 24 8.101 2.383 -0.805 207 HD2 ARG 24 2HD ARG 24 9.544 0.429 -0.515 208 HD3 ARG 24 1HD ARG 24 10.206 1.865 0.267 209 HE ARG 24 HE ARG 24 8.660 0.237 2.046 210 HH11 ARG 24 1HH1 ARG 24 11.869 0.487 0.547 211 HH12 ARG 24 2HH1 ARG 24 12.673 -0.260 1.840 212 HH21 ARG 24 1HH2 ARG 24 9.707 -0.731 3.740 213 HH22 ARG 24 2HH2 ARG 24 11.398 -1.010 3.773 214 H LYS 25 H LYS 25 5.048 3.465 -0.938 215 HA LYS 25 HA LYS 25 6.802 5.150 -2.567 216 HB2 LYS 25 2HB LYS 25 6.269 2.858 -3.297 217 HB3 LYS 25 1HB LYS 25 4.575 3.286 -3.348 218 HG2 LYS 25 2HG LYS 25 4.992 4.833 -5.156 219 HG3 LYS 25 1HG LYS 25 6.726 4.487 -5.079 220 HD2 LYS 25 2HD LYS 25 6.222 2.113 -5.521 221 HD3 LYS 25 1HD LYS 25 4.521 2.532 -5.704 222 HE2 LYS 25 2HE LYS 25 5.087 3.974 -7.594 223 HE3 LYS 25 1HE LYS 25 6.790 3.571 -7.386 224 HZ1 LYS 25 1HZ LYS 25 4.623 1.672 -8.078 225 HZ2 LYS 25 2HZ LYS 25 6.213 1.230 -7.784 226 HZ3 LYS 25 3HZ LYS 25 5.852 2.187 -9.110 227 H ALA 26 H ALA 26 3.362 4.672 -1.851 228 HA ALA 26 HA ALA 26 2.644 7.057 -3.277 229 HB1 ALA 26 1HB ALA 26 0.366 6.540 -2.562 230 HB2 ALA 26 2HB ALA 26 0.982 5.277 -1.495 231 HB3 ALA 26 3HB ALA 26 1.151 5.114 -3.243 Start of MODEL 13 1 H HIS 1 H HIS 1 1.609 8.774 -1.605 2 HA HIS 1 HA HIS 1 2.678 8.993 1.139 3 HB2 HIS 1 2HB HIS 1 2.586 11.217 -0.924 4 HB3 HIS 1 1HB HIS 1 3.038 11.427 0.762 5 HD1 HIS 1 1HD HIS 1 4.415 10.587 -2.521 6 HD2 HIS 1 2HD HIS 1 5.503 10.102 1.451 7 HE1 HIS 1 1HE HIS 1 6.862 9.955 -2.547 8 H ASP 2 H ASP 2 0.004 9.015 -0.841 9 HA ASP 2 HA ASP 2 -1.525 10.871 0.775 10 HB2 ASP 2 2HB ASP 2 -2.265 9.233 -1.657 11 HB3 ASP 2 1HB ASP 2 -3.428 10.203 -0.767 12 HA PRO 3 HA PRO 3 -3.017 8.028 3.720 13 HB2 PRO 3 2HB PRO 3 -5.690 8.820 3.844 14 HB3 PRO 3 1HB PRO 3 -4.360 9.535 4.754 15 HG2 PRO 3 2HG PRO 3 -5.639 10.471 2.228 16 HG3 PRO 3 1HG PRO 3 -5.006 11.407 3.591 17 HD2 PRO 3 2HD PRO 3 -3.664 11.200 1.285 18 HD3 PRO 3 1HD PRO 3 -2.822 11.251 2.846 19 H GLU 4 H GLU 4 -4.628 8.209 0.659 20 HA GLU 4 HA GLU 4 -6.395 6.059 0.804 21 HB2 GLU 4 2HB GLU 4 -6.348 7.638 -1.062 22 HB3 GLU 4 1HB GLU 4 -4.778 7.033 -1.564 23 HG2 GLU 4 2HG GLU 4 -5.802 4.867 -2.082 24 HG3 GLU 4 1HG GLU 4 -7.371 5.489 -1.571 25 H LYS 5 H LYS 5 -2.912 6.113 0.533 26 HA LYS 5 HA LYS 5 -2.473 3.658 -0.710 27 HB2 LYS 5 2HB LYS 5 -0.160 3.835 -0.044 28 HB3 LYS 5 1HB LYS 5 -0.779 5.428 -0.357 29 HG2 LYS 5 2HG LYS 5 -0.917 5.956 1.955 30 HG3 LYS 5 1HG LYS 5 -0.527 4.295 2.409 31 HD2 LYS 5 2HD LYS 5 1.669 4.520 1.379 32 HD3 LYS 5 1HD LYS 5 1.274 6.163 0.881 33 HE2 LYS 5 2HE LYS 5 1.019 6.796 3.226 34 HE3 LYS 5 1HE LYS 5 1.450 5.156 3.704 35 HZ1 LYS 5 1HZ LYS 5 3.646 5.452 2.783 36 HZ2 LYS 5 2HZ LYS 5 3.350 6.797 3.767 37 HZ3 LYS 5 3HZ LYS 5 3.224 6.922 2.114 38 H ARG 6 H ARG 6 -2.987 4.353 2.717 39 HA ARG 6 HA ARG 6 -2.209 1.794 3.640 40 HB2 ARG 6 2HB ARG 6 -4.078 3.826 4.848 41 HB3 ARG 6 1HB ARG 6 -3.710 2.300 5.622 42 HG2 ARG 6 2HG ARG 6 -1.302 2.985 5.635 43 HG3 ARG 6 1HG ARG 6 -1.821 4.573 5.052 44 HD2 ARG 6 2HD ARG 6 -3.208 4.901 6.983 45 HD3 ARG 6 1HD ARG 6 -2.903 3.257 7.534 46 HE ARG 6 HE ARG 6 -0.603 4.979 7.276 47 HH11 ARG 6 1HH1 ARG 6 -3.078 3.599 9.422 48 HH12 ARG 6 2HH1 ARG 6 -2.256 3.954 10.858 49 HH21 ARG 6 1HH2 ARG 6 0.557 5.438 9.302 50 HH22 ARG 6 2HH2 ARG 6 -0.133 4.986 10.784 51 H LYS 7 H LYS 7 -5.323 3.174 2.867 52 HA LYS 7 HA LYS 7 -6.797 0.856 3.516 53 HB2 LYS 7 2HB LYS 7 -7.693 3.210 3.428 54 HB3 LYS 7 1HB LYS 7 -7.591 3.092 1.675 55 HG2 LYS 7 2HG LYS 7 -9.182 1.263 1.677 56 HG3 LYS 7 1HG LYS 7 -9.282 1.341 3.436 57 HD2 LYS 7 2HD LYS 7 -10.069 3.683 3.237 58 HD3 LYS 7 1HD LYS 7 -10.079 3.494 1.485 59 HE2 LYS 7 2HE LYS 7 -12.311 3.163 2.327 60 HE3 LYS 7 1HE LYS 7 -11.680 1.629 1.735 61 HZ1 LYS 7 1HZ LYS 7 -11.791 2.465 4.581 62 HZ2 LYS 7 2HZ LYS 7 -11.200 0.986 4.014 63 HZ3 LYS 7 3HZ LYS 7 -12.827 1.372 3.826 64 H GLU 8 H GLU 8 -5.897 2.313 0.416 65 HA GLU 8 HA GLU 8 -7.140 0.386 -1.172 66 HB2 GLU 8 2HB GLU 8 -6.362 2.737 -1.771 67 HB3 GLU 8 1HB GLU 8 -4.763 2.043 -1.976 68 HG2 GLU 8 2HG GLU 8 -5.767 2.202 -4.123 69 HG3 GLU 8 1HG GLU 8 -5.751 0.496 -3.677 70 H CYS 9 H CYS 9 -3.840 0.618 0.152 71 HA CYS 9 HA CYS 9 -3.139 -1.643 -1.458 72 HB2 CYS 9 2HB CYS 9 -1.404 0.046 0.320 73 HB3 CYS 9 1HB CYS 9 -0.820 -1.422 -0.467 74 H GLU 10 H GLU 10 -4.090 -1.201 1.865 75 HA GLU 10 HA GLU 10 -3.163 -3.840 2.524 76 HB2 GLU 10 2HB GLU 10 -3.585 -2.042 4.239 77 HB3 GLU 10 1HB GLU 10 -5.303 -2.202 3.908 78 HG2 GLU 10 2HG GLU 10 -5.254 -4.503 4.675 79 HG3 GLU 10 1HG GLU 10 -3.520 -4.381 4.956 80 H LYS 11 H LYS 11 -5.956 -2.373 1.222 81 HA LYS 11 HA LYS 11 -7.811 -4.488 1.227 82 HB2 LYS 11 2HB LYS 11 -8.509 -2.266 0.886 83 HB3 LYS 11 1HB LYS 11 -7.346 -2.020 -0.391 84 HG2 LYS 11 2HG LYS 11 -8.709 -3.634 -1.767 85 HG3 LYS 11 1HG LYS 11 -9.942 -3.518 -0.496 86 HD2 LYS 11 2HD LYS 11 -10.083 -1.146 -0.752 87 HD3 LYS 11 1HD LYS 11 -8.712 -1.132 -1.851 88 HE2 LYS 11 2HE LYS 11 -10.066 -2.485 -3.434 89 HE3 LYS 11 1HE LYS 11 -11.452 -2.260 -2.358 90 HZ1 LYS 11 1HZ LYS 11 -9.854 -0.095 -3.558 91 HZ2 LYS 11 2HZ LYS 11 -11.284 0.120 -2.668 92 HZ3 LYS 11 3HZ LYS 11 -11.321 -0.617 -4.183 93 H LYS 12 H LYS 12 -5.711 -3.242 -1.369 94 HA LYS 12 HA LYS 12 -6.392 -5.435 -3.079 95 HB2 LYS 12 2HB LYS 12 -6.121 -3.160 -3.926 96 HB3 LYS 12 1HB LYS 12 -4.432 -3.187 -3.462 97 HG2 LYS 12 2HG LYS 12 -3.988 -4.953 -5.078 98 HG3 LYS 12 1HG LYS 12 -5.697 -4.994 -5.521 99 HD2 LYS 12 2HD LYS 12 -5.541 -2.645 -6.241 100 HD3 LYS 12 1HD LYS 12 -3.825 -2.650 -5.843 101 HE2 LYS 12 2HE LYS 12 -5.145 -4.443 -7.879 102 HE3 LYS 12 1HE LYS 12 -4.254 -2.972 -8.255 103 HZ1 LYS 12 1HZ LYS 12 -2.268 -3.991 -7.300 104 HZ2 LYS 12 2HZ LYS 12 -2.894 -4.918 -8.560 105 HZ3 LYS 12 3HZ LYS 12 -3.133 -5.417 -6.981 106 H TYR 13 H TYR 13 -3.524 -4.522 -1.187 107 HA TYR 13 HA TYR 13 -2.211 -6.825 -2.364 108 HB2 TYR 13 2HB TYR 13 -0.971 -4.423 -1.023 109 HB3 TYR 13 1HB TYR 13 -0.071 -5.818 -1.615 110 HD1 TYR 13 1HD TYR 13 -1.708 -2.718 -2.495 111 HD2 TYR 13 2HD TYR 13 -0.031 -6.293 -4.062 112 HE1 TYR 13 1HE TYR 13 -1.657 -1.707 -4.719 113 HE2 TYR 13 2HE TYR 13 0.034 -5.291 -6.284 114 HH TYR 13 HH TYR 13 -0.382 -2.044 -6.881 115 H THR 14 H THR 14 -2.726 -8.508 -1.167 116 HA THR 14 HA THR 14 -2.606 -8.485 1.672 117 HB THR 14 HB THR 14 -2.533 -11.080 1.058 118 HG1 THR 14 1HG THR 14 -2.513 -11.306 -1.052 119 HG21 THR 14 1HG2 THR 14 -4.421 -9.942 2.140 120 HG22 THR 14 2HG2 THR 14 -4.992 -11.048 0.887 121 HG23 THR 14 3HG2 THR 14 -4.930 -9.315 0.574 122 H ASP 15 H ASP 15 -0.569 -9.025 -1.011 123 HA ASP 15 HA ASP 15 1.588 -10.432 0.079 124 HB2 ASP 15 2HB ASP 15 1.208 -10.067 -2.326 125 HB3 ASP 15 1HB ASP 15 1.585 -8.363 -2.111 126 HA PRO 16 HA PRO 16 2.941 -7.289 2.991 127 HB2 PRO 16 2HB PRO 16 5.369 -9.005 2.960 128 HB3 PRO 16 1HB PRO 16 4.429 -8.412 4.335 129 HG2 PRO 16 2HG PRO 16 4.200 -10.934 3.582 130 HG3 PRO 16 1HG PRO 16 2.761 -10.009 4.050 131 HD2 PRO 16 2HD PRO 16 3.748 -10.727 1.322 132 HD3 PRO 16 1HD PRO 16 2.090 -10.732 1.974 133 H LYS 17 H LYS 17 5.039 -8.439 0.354 134 HA LYS 17 HA LYS 17 6.754 -6.184 0.696 135 HB2 LYS 17 2HB LYS 17 6.779 -8.432 -1.273 136 HB3 LYS 17 1HB LYS 17 7.808 -7.024 -1.516 137 HG2 LYS 17 2HG LYS 17 7.799 -8.714 0.974 138 HG3 LYS 17 1HG LYS 17 8.933 -8.911 -0.367 139 HD2 LYS 17 2HD LYS 17 9.801 -6.696 -0.028 140 HD3 LYS 17 1HD LYS 17 8.594 -6.339 1.200 141 HE2 LYS 17 2HE LYS 17 9.534 -8.074 2.619 142 HE3 LYS 17 1HE LYS 17 10.735 -8.437 1.385 143 HZ1 LYS 17 1HZ LYS 17 11.701 -6.303 1.648 144 HZ2 LYS 17 2HZ LYS 17 11.521 -6.919 3.211 145 HZ3 LYS 17 3HZ LYS 17 10.450 -5.754 2.624 146 H LYS 18 H LYS 18 4.360 -7.012 -1.740 147 HA LYS 18 HA LYS 18 4.784 -4.594 -3.170 148 HB2 LYS 18 2HB LYS 18 2.491 -6.527 -3.122 149 HB3 LYS 18 1HB LYS 18 2.343 -5.007 -3.993 150 HG2 LYS 18 2HG LYS 18 4.301 -5.576 -5.328 151 HG3 LYS 18 1HG LYS 18 4.443 -7.107 -4.460 152 HD2 LYS 18 2HD LYS 18 1.959 -6.340 -5.971 153 HD3 LYS 18 1HD LYS 18 3.316 -7.145 -6.755 154 HE2 LYS 18 2HE LYS 18 1.860 -8.221 -4.342 155 HE3 LYS 18 1HE LYS 18 1.513 -8.672 -6.010 156 HZ1 LYS 18 1HZ LYS 18 3.748 -9.513 -6.233 157 HZ2 LYS 18 2HZ LYS 18 3.013 -10.284 -4.952 158 HZ3 LYS 18 3HZ LYS 18 4.145 -9.073 -4.670 159 H ARG 19 H ARG 19 2.846 -5.360 -0.440 160 HA ARG 19 HA ARG 19 1.504 -2.855 -0.353 161 HB2 ARG 19 2HB ARG 19 0.457 -4.744 0.640 162 HB3 ARG 19 1HB ARG 19 1.870 -5.102 1.603 163 HG2 ARG 19 2HG ARG 19 1.446 -3.277 3.041 164 HG3 ARG 19 1HG ARG 19 0.190 -2.648 1.971 165 HD2 ARG 19 2HD ARG 19 -0.600 -3.958 4.015 166 HD3 ARG 19 1HD ARG 19 -1.268 -4.403 2.448 167 HE ARG 19 HE ARG 19 0.355 -6.236 2.421 168 HH11 ARG 19 1HH1 ARG 19 -0.500 -4.885 5.581 169 HH12 ARG 19 2HH1 ARG 19 -0.372 -6.373 6.404 170 HH21 ARG 19 1HH2 ARG 19 0.452 -8.315 3.569 171 HH22 ARG 19 2HH2 ARG 19 0.175 -8.352 5.239 172 H GLU 20 H GLU 20 4.398 -4.185 1.213 173 HA GLU 20 HA GLU 20 5.083 -2.016 2.842 174 HB2 GLU 20 2HB GLU 20 6.111 -4.260 2.959 175 HB3 GLU 20 1HB GLU 20 6.859 -3.992 1.399 176 HG2 GLU 20 2HG GLU 20 8.193 -2.190 2.349 177 HG3 GLU 20 1HG GLU 20 7.434 -2.460 3.919 178 H GLU 21 H GLU 21 5.921 -2.797 -0.501 179 HA GLU 21 HA GLU 21 7.441 -0.480 -0.924 180 HB2 GLU 21 2HB GLU 21 6.109 -2.380 -2.782 181 HB3 GLU 21 1HB GLU 21 6.933 -0.934 -3.360 182 HG2 GLU 21 2HG GLU 21 8.121 -3.203 -1.749 183 HG3 GLU 21 1HG GLU 21 8.442 -2.848 -3.448 184 H CYS 22 H CYS 22 4.024 -1.167 -1.375 185 HA CYS 22 HA CYS 22 3.422 1.196 -2.635 186 HB2 CYS 22 2HB CYS 22 1.697 -0.484 -2.474 187 HB3 CYS 22 1HB CYS 22 1.726 -0.422 -0.714 188 H LYS 23 H LYS 23 3.712 0.435 0.782 189 HA LYS 23 HA LYS 23 2.928 2.804 1.997 190 HB2 LYS 23 2HB LYS 23 3.406 0.674 3.134 191 HB3 LYS 23 1HB LYS 23 5.112 0.871 2.795 192 HG2 LYS 23 2HG LYS 23 5.058 2.952 4.194 193 HG3 LYS 23 1HG LYS 23 3.404 2.523 4.635 194 HD2 LYS 23 2HD LYS 23 5.809 0.746 5.081 195 HD3 LYS 23 1HD LYS 23 5.097 1.786 6.311 196 HE2 LYS 23 2HE LYS 23 3.604 -0.414 4.881 197 HE3 LYS 23 1HE LYS 23 4.416 -0.623 6.423 198 HZ1 LYS 23 1HZ LYS 23 2.975 1.061 7.379 199 HZ2 LYS 23 2HZ LYS 23 2.081 -0.196 6.724 200 HZ3 LYS 23 3HZ LYS 23 2.170 1.268 5.902 201 H ARG 24 H ARG 24 5.936 1.938 0.427 202 HA ARG 24 HA ARG 24 7.309 4.398 1.178 203 HB2 ARG 24 2HB ARG 24 8.167 2.035 -0.473 204 HB3 ARG 24 1HB ARG 24 9.188 3.408 -0.076 205 HG2 ARG 24 2HG ARG 24 9.094 2.869 2.255 206 HG3 ARG 24 1HG ARG 24 7.924 1.585 1.945 207 HD2 ARG 24 2HD ARG 24 9.562 0.379 0.632 208 HD3 ARG 24 1HD ARG 24 10.731 1.679 0.862 209 HE ARG 24 HE ARG 24 10.418 1.161 3.307 210 HH11 ARG 24 1HH1 ARG 24 10.218 -1.332 0.762 211 HH12 ARG 24 2HH1 ARG 24 10.695 -2.578 1.817 212 HH21 ARG 24 1HH2 ARG 24 11.151 -0.581 4.682 213 HH22 ARG 24 2HH2 ARG 24 11.313 -2.154 4.046 214 H LYS 25 H LYS 25 5.282 3.381 -1.314 215 HA LYS 25 HA LYS 25 6.593 5.011 -3.354 216 HB2 LYS 25 2HB LYS 25 5.886 2.770 -4.003 217 HB3 LYS 25 1HB LYS 25 4.246 3.112 -3.492 218 HG2 LYS 25 2HG LYS 25 4.448 3.140 -5.919 219 HG3 LYS 25 1HG LYS 25 4.006 4.731 -5.304 220 HD2 LYS 25 2HD LYS 25 6.277 5.512 -5.576 221 HD3 LYS 25 1HD LYS 25 6.815 3.899 -6.044 222 HE2 LYS 25 2HE LYS 25 6.533 5.374 -7.989 223 HE3 LYS 25 1HE LYS 25 5.442 3.996 -8.048 224 HZ1 LYS 25 1HZ LYS 25 4.667 6.728 -7.144 225 HZ2 LYS 25 2HZ LYS 25 3.631 5.408 -7.351 226 HZ3 LYS 25 3HZ LYS 25 4.394 6.098 -8.671 227 H ALA 26 H ALA 26 3.522 4.730 -1.665 228 HA ALA 26 HA ALA 26 2.657 7.207 -2.916 229 HB1 ALA 26 1HB ALA 26 1.147 5.202 -1.266 230 HB2 ALA 26 2HB ALA 26 1.124 5.331 -3.025 231 HB3 ALA 26 3HB ALA 26 0.442 6.622 -2.033 Start of MODEL 14 1 H HIS 1 H HIS 1 1.656 9.015 -1.570 2 HA HIS 1 HA HIS 1 2.639 9.417 1.156 3 HB2 HIS 1 2HB HIS 1 1.796 11.441 -0.946 4 HB3 HIS 1 1HB HIS 1 2.388 11.836 0.651 5 HD1 HIS 1 1HD HIS 1 4.851 12.333 0.755 6 HD2 HIS 1 2HD HIS 1 3.832 9.982 -2.516 7 HE1 HIS 1 1HE HIS 1 6.936 12.138 -0.642 8 H ASP 2 H ASP 2 -0.135 8.520 -0.146 9 HA ASP 2 HA ASP 2 -1.775 10.072 1.734 10 HB2 ASP 2 2HB ASP 2 -2.696 8.494 -0.670 11 HB3 ASP 2 1HB ASP 2 -3.747 9.309 0.455 12 HA PRO 3 HA PRO 3 -2.173 6.182 3.907 13 HB2 PRO 3 2HB PRO 3 -4.247 6.981 5.531 14 HB3 PRO 3 1HB PRO 3 -2.551 7.337 5.868 15 HG2 PRO 3 2HG PRO 3 -4.655 9.073 4.689 16 HG3 PRO 3 1HG PRO 3 -3.342 9.501 5.793 17 HD2 PRO 3 2HD PRO 3 -3.291 10.004 3.096 18 HD3 PRO 3 1HD PRO 3 -1.823 9.742 4.073 19 H GLU 4 H GLU 4 -4.643 8.000 2.373 20 HA GLU 4 HA GLU 4 -6.697 6.112 2.138 21 HB2 GLU 4 2HB GLU 4 -7.105 8.437 1.698 22 HB3 GLU 4 1HB GLU 4 -5.827 8.511 0.513 23 HG2 GLU 4 2HG GLU 4 -8.273 6.855 0.025 24 HG3 GLU 4 1HG GLU 4 -8.295 8.595 -0.232 25 H LYS 5 H LYS 5 -4.019 6.925 -0.055 26 HA LYS 5 HA LYS 5 -4.499 4.834 -1.886 27 HB2 LYS 5 2HB LYS 5 -2.028 6.444 -1.301 28 HB3 LYS 5 1HB LYS 5 -2.085 5.236 -2.574 29 HG2 LYS 5 2HG LYS 5 -3.901 6.503 -3.648 30 HG3 LYS 5 1HG LYS 5 -3.772 7.729 -2.387 31 HD2 LYS 5 2HD LYS 5 -1.483 8.191 -3.051 32 HD3 LYS 5 1HD LYS 5 -1.550 6.903 -4.253 33 HE2 LYS 5 2HE LYS 5 -1.862 9.092 -5.295 34 HE3 LYS 5 1HE LYS 5 -3.305 8.101 -5.448 35 HZ1 LYS 5 1HZ LYS 5 -4.356 9.342 -3.710 36 HZ2 LYS 5 2HZ LYS 5 -3.737 10.432 -4.828 37 HZ3 LYS 5 3HZ LYS 5 -2.921 10.174 -3.368 38 H ARG 6 H ARG 6 -2.401 5.115 0.924 39 HA ARG 6 HA ARG 6 -1.164 2.635 0.869 40 HB2 ARG 6 2HB ARG 6 -0.539 4.222 2.576 41 HB3 ARG 6 1HB ARG 6 -2.176 4.213 3.234 42 HG2 ARG 6 2HG ARG 6 -1.843 1.749 3.678 43 HG3 ARG 6 1HG ARG 6 -0.138 2.018 3.332 44 HD2 ARG 6 2HD ARG 6 0.104 3.446 5.184 45 HD3 ARG 6 1HD ARG 6 -1.648 3.596 5.389 46 HE ARG 6 HE ARG 6 -0.657 0.922 5.548 47 HH11 ARG 6 1HH1 ARG 6 -1.173 3.840 7.491 48 HH12 ARG 6 2HH1 ARG 6 -1.574 2.991 8.907 49 HH21 ARG 6 1HH2 ARG 6 -1.281 -0.237 7.447 50 HH22 ARG 6 2HH2 ARG 6 -1.637 0.624 8.894 51 H LYS 7 H LYS 7 -4.298 3.524 2.302 52 HA LYS 7 HA LYS 7 -5.039 1.058 3.317 53 HB2 LYS 7 2HB LYS 7 -6.256 3.227 3.732 54 HB3 LYS 7 1HB LYS 7 -6.871 3.077 2.080 55 HG2 LYS 7 2HG LYS 7 -8.039 1.051 2.635 56 HG3 LYS 7 1HG LYS 7 -7.400 1.093 4.274 57 HD2 LYS 7 2HD LYS 7 -8.556 3.270 4.609 58 HD3 LYS 7 1HD LYS 7 -9.253 3.094 3.001 59 HE2 LYS 7 2HE LYS 7 -10.828 2.360 4.734 60 HE3 LYS 7 1HE LYS 7 -10.363 1.039 3.665 61 HZ1 LYS 7 1HZ LYS 7 -8.818 0.259 5.358 62 HZ2 LYS 7 2HZ LYS 7 -10.365 0.323 5.958 63 HZ3 LYS 7 3HZ LYS 7 -9.257 1.512 6.397 64 H GLU 8 H GLU 8 -5.661 2.461 0.153 65 HA GLU 8 HA GLU 8 -7.163 0.399 -0.857 66 HB2 GLU 8 2HB GLU 8 -6.865 2.506 -2.061 67 HB3 GLU 8 1HB GLU 8 -5.175 2.114 -2.353 68 HG2 GLU 8 2HG GLU 8 -5.961 0.091 -3.602 69 HG3 GLU 8 1HG GLU 8 -7.597 0.732 -3.468 70 H CYS 9 H CYS 9 -3.657 0.898 -0.966 71 HA CYS 9 HA CYS 9 -3.042 -1.460 -2.396 72 HB2 CYS 9 2HB CYS 9 -1.303 0.194 -0.570 73 HB3 CYS 9 1HB CYS 9 -0.716 -1.107 -1.596 74 H GLU 10 H GLU 10 -3.276 -0.772 1.028 75 HA GLU 10 HA GLU 10 -2.197 -3.259 1.857 76 HB2 GLU 10 2HB GLU 10 -2.171 -1.159 3.222 77 HB3 GLU 10 1HB GLU 10 -3.905 -1.317 3.434 78 HG2 GLU 10 2HG GLU 10 -3.584 -3.407 4.634 79 HG3 GLU 10 1HG GLU 10 -1.846 -3.301 4.376 80 H LYS 11 H LYS 11 -5.360 -2.231 0.861 81 HA LYS 11 HA LYS 11 -6.558 -4.649 1.932 82 HB2 LYS 11 2HB LYS 11 -7.820 -2.470 1.888 83 HB3 LYS 11 1HB LYS 11 -7.828 -2.570 0.137 84 HG2 LYS 11 2HG LYS 11 -9.956 -3.299 1.079 85 HG3 LYS 11 1HG LYS 11 -9.143 -4.631 0.250 86 HD2 LYS 11 2HD LYS 11 -8.371 -5.514 2.380 87 HD3 LYS 11 1HD LYS 11 -9.080 -4.144 3.234 88 HE2 LYS 11 2HE LYS 11 -10.486 -6.111 3.434 89 HE3 LYS 11 1HE LYS 11 -11.307 -4.866 2.499 90 HZ1 LYS 11 1HZ LYS 11 -11.552 -7.086 1.555 91 HZ2 LYS 11 2HZ LYS 11 -9.894 -7.200 1.308 92 HZ3 LYS 11 3HZ LYS 11 -10.799 -6.037 0.494 93 H LYS 12 H LYS 12 -5.600 -3.302 -1.168 94 HA LYS 12 HA LYS 12 -6.625 -5.410 -2.776 95 HB2 LYS 12 2HB LYS 12 -4.425 -3.423 -3.359 96 HB3 LYS 12 1HB LYS 12 -5.106 -4.532 -4.531 97 HG2 LYS 12 2HG LYS 12 -6.621 -2.358 -3.105 98 HG3 LYS 12 1HG LYS 12 -5.991 -2.259 -4.748 99 HD2 LYS 12 2HD LYS 12 -7.414 -4.148 -5.393 100 HD3 LYS 12 1HD LYS 12 -8.050 -4.224 -3.749 101 HE2 LYS 12 2HE LYS 12 -8.889 -1.939 -3.980 102 HE3 LYS 12 1HE LYS 12 -8.277 -1.880 -5.627 103 HZ1 LYS 12 1HZ LYS 12 -10.618 -2.396 -5.626 104 HZ2 LYS 12 2HZ LYS 12 -10.376 -3.688 -4.580 105 HZ3 LYS 12 3HZ LYS 12 -9.777 -3.765 -6.146 106 H TYR 13 H TYR 13 -3.408 -4.763 -1.456 107 HA TYR 13 HA TYR 13 -2.522 -7.345 -2.480 108 HB2 TYR 13 2HB TYR 13 -0.924 -5.073 -1.280 109 HB3 TYR 13 1HB TYR 13 -0.257 -6.559 -1.934 110 HD1 TYR 13 1HD TYR 13 -1.660 -3.300 -2.705 111 HD2 TYR 13 2HD TYR 13 -0.238 -6.933 -4.361 112 HE1 TYR 13 1HE TYR 13 -1.490 -2.219 -4.899 113 HE2 TYR 13 2HE TYR 13 -0.054 -5.883 -6.555 114 HH TYR 13 HH TYR 13 -1.060 -3.955 -7.758 115 H THR 14 H THR 14 -2.804 -8.962 -1.081 116 HA THR 14 HA THR 14 -2.791 -8.414 1.725 117 HB THR 14 HB THR 14 -3.157 -10.977 1.796 118 HG1 THR 14 1HG THR 14 -2.989 -11.900 -0.056 119 HG21 THR 14 1HG2 THR 14 -5.159 -9.169 0.426 120 HG22 THR 14 2HG2 THR 14 -4.942 -9.340 2.168 121 HG23 THR 14 3HG2 THR 14 -5.537 -10.697 1.215 122 H ASP 15 H ASP 15 -0.601 -9.242 -0.670 123 HA ASP 15 HA ASP 15 1.330 -10.628 0.894 124 HB2 ASP 15 2HB ASP 15 1.431 -10.861 -1.492 125 HB3 ASP 15 1HB ASP 15 1.533 -9.117 -1.710 126 HA PRO 16 HA PRO 16 2.632 -7.127 3.271 127 HB2 PRO 16 2HB PRO 16 5.003 -8.191 4.178 128 HB3 PRO 16 1HB PRO 16 3.423 -8.522 4.892 129 HG2 PRO 16 2HG PRO 16 5.014 -10.159 2.968 130 HG3 PRO 16 1HG PRO 16 4.048 -10.689 4.357 131 HD2 PRO 16 2HD PRO 16 3.166 -10.903 1.827 132 HD3 PRO 16 1HD PRO 16 2.064 -10.564 3.179 133 H LYS 17 H LYS 17 4.805 -8.630 0.932 134 HA LYS 17 HA LYS 17 6.761 -6.577 1.042 135 HB2 LYS 17 2HB LYS 17 6.217 -8.671 -1.045 136 HB3 LYS 17 1HB LYS 17 7.591 -7.574 -1.087 137 HG2 LYS 17 2HG LYS 17 8.422 -8.488 0.991 138 HG3 LYS 17 1HG LYS 17 7.007 -9.531 1.124 139 HD2 LYS 17 2HD LYS 17 8.926 -10.776 0.291 140 HD3 LYS 17 1HD LYS 17 7.660 -10.679 -0.930 141 HE2 LYS 17 2HE LYS 17 8.886 -8.852 -2.039 142 HE3 LYS 17 1HE LYS 17 10.154 -8.968 -0.816 143 HZ1 LYS 17 1HZ LYS 17 10.580 -11.234 -1.567 144 HZ2 LYS 17 2HZ LYS 17 10.766 -10.133 -2.824 145 HZ3 LYS 17 3HZ LYS 17 9.380 -11.089 -2.745 146 H LYS 18 H LYS 18 4.234 -7.299 -1.339 147 HA LYS 18 HA LYS 18 4.667 -4.949 -2.847 148 HB2 LYS 18 2HB LYS 18 2.249 -6.740 -2.628 149 HB3 LYS 18 1HB LYS 18 2.315 -5.369 -3.732 150 HG2 LYS 18 2HG LYS 18 4.228 -6.331 -4.857 151 HG3 LYS 18 1HG LYS 18 4.233 -7.689 -3.727 152 HD2 LYS 18 2HD LYS 18 1.980 -7.006 -5.612 153 HD3 LYS 18 1HD LYS 18 3.245 -8.181 -5.958 154 HE2 LYS 18 2HE LYS 18 2.543 -9.456 -3.956 155 HE3 LYS 18 1HE LYS 18 1.228 -8.308 -3.719 156 HZ1 LYS 18 1HZ LYS 18 0.432 -10.240 -4.865 157 HZ2 LYS 18 2HZ LYS 18 1.616 -10.092 -6.053 158 HZ3 LYS 18 3HZ LYS 18 0.394 -8.940 -5.943 159 H ARG 19 H ARG 19 2.784 -5.581 -0.019 160 HA ARG 19 HA ARG 19 1.293 -3.207 0.148 161 HB2 ARG 19 2HB ARG 19 0.992 -5.177 1.632 162 HB3 ARG 19 1HB ARG 19 2.536 -4.819 2.385 163 HG2 ARG 19 2HG ARG 19 1.561 -2.584 3.032 164 HG3 ARG 19 1HG ARG 19 -0.005 -3.224 2.527 165 HD2 ARG 19 2HD ARG 19 0.231 -3.557 4.896 166 HD3 ARG 19 1HD ARG 19 0.339 -5.126 4.094 167 HE ARG 19 HE ARG 19 2.858 -3.771 4.629 168 HH11 ARG 19 1HH1 ARG 19 0.649 -6.353 5.623 169 HH12 ARG 19 2HH1 ARG 19 1.733 -7.004 6.753 170 HH21 ARG 19 1HH2 ARG 19 4.290 -4.652 6.062 171 HH22 ARG 19 2HH2 ARG 19 3.904 -6.022 7.028 172 H GLU 20 H GLU 20 4.466 -4.079 1.537 173 HA GLU 20 HA GLU 20 5.084 -1.573 2.600 174 HB2 GLU 20 2HB GLU 20 6.990 -3.704 1.639 175 HB3 GLU 20 1HB GLU 20 7.428 -2.342 2.657 176 HG2 GLU 20 2HG GLU 20 5.605 -4.629 3.359 177 HG3 GLU 20 1HG GLU 20 7.219 -4.317 3.990 178 H GLU 21 H GLU 21 5.695 -2.941 -0.583 179 HA GLU 21 HA GLU 21 7.305 -0.887 -1.551 180 HB2 GLU 21 2HB GLU 21 5.461 -2.764 -2.976 181 HB3 GLU 21 1HB GLU 21 6.417 -1.559 -3.830 182 HG2 GLU 21 2HG GLU 21 8.465 -2.561 -2.820 183 HG3 GLU 21 1HG GLU 21 7.449 -3.798 -2.088 184 H CYS 22 H CYS 22 3.756 -1.187 -1.752 185 HA CYS 22 HA CYS 22 3.511 1.290 -3.060 186 HB2 CYS 22 2HB CYS 22 1.624 -0.229 -3.151 187 HB3 CYS 22 1HB CYS 22 1.463 -0.210 -1.395 188 H LYS 23 H LYS 23 3.521 0.335 0.282 189 HA LYS 23 HA LYS 23 2.708 2.558 1.678 190 HB2 LYS 23 2HB LYS 23 3.178 0.375 2.662 191 HB3 LYS 23 1HB LYS 23 4.886 0.583 2.333 192 HG2 LYS 23 2HG LYS 23 4.487 0.943 4.656 193 HG3 LYS 23 1HG LYS 23 4.913 2.480 3.904 194 HD2 LYS 23 2HD LYS 23 2.584 3.138 3.857 195 HD3 LYS 23 1HD LYS 23 2.103 1.568 4.502 196 HE2 LYS 23 2HE LYS 23 3.830 3.608 5.896 197 HE3 LYS 23 1HE LYS 23 2.138 3.266 6.252 198 HZ1 LYS 23 1HZ LYS 23 2.798 0.986 6.872 199 HZ2 LYS 23 2HZ LYS 23 3.543 2.141 7.811 200 HZ3 LYS 23 3HZ LYS 23 4.417 1.375 6.602 201 H ARG 24 H ARG 24 5.906 1.908 0.314 202 HA ARG 24 HA ARG 24 7.133 4.216 1.505 203 HB2 ARG 24 2HB ARG 24 8.048 2.143 -0.422 204 HB3 ARG 24 1HB ARG 24 8.924 3.655 -0.362 205 HG2 ARG 24 2HG ARG 24 9.988 1.940 0.996 206 HG3 ARG 24 1HG ARG 24 9.441 3.284 1.989 207 HD2 ARG 24 2HD ARG 24 7.582 2.003 2.790 208 HD3 ARG 24 1HD ARG 24 7.913 0.712 1.637 209 HE ARG 24 HE ARG 24 10.191 1.073 3.147 210 HH11 ARG 24 1HH1 ARG 24 6.868 0.130 3.819 211 HH12 ARG 24 2HH1 ARG 24 7.243 -1.064 4.982 212 HH21 ARG 24 1HH2 ARG 24 10.754 -0.526 4.759 213 HH22 ARG 24 2HH2 ARG 24 9.538 -1.389 5.577 214 H LYS 25 H LYS 25 5.254 3.774 -1.320 215 HA LYS 25 HA LYS 25 6.468 6.138 -2.531 216 HB2 LYS 25 2HB LYS 25 6.359 4.229 -4.010 217 HB3 LYS 25 1HB LYS 25 4.631 4.066 -3.740 218 HG2 LYS 25 2HG LYS 25 4.239 6.209 -4.840 219 HG3 LYS 25 1HG LYS 25 5.971 6.424 -5.064 220 HD2 LYS 25 2HD LYS 25 4.350 4.161 -6.246 221 HD3 LYS 25 1HD LYS 25 4.787 5.639 -7.101 222 HE2 LYS 25 2HE LYS 25 7.165 5.091 -6.780 223 HE3 LYS 25 1HE LYS 25 6.701 3.601 -5.969 224 HZ1 LYS 25 1HZ LYS 25 6.094 4.277 -8.806 225 HZ2 LYS 25 2HZ LYS 25 5.638 2.862 -8.013 226 HZ3 LYS 25 3HZ LYS 25 7.258 3.195 -8.256 227 H ALA 26 H ALA 26 3.286 4.813 -1.739 228 HA ALA 26 HA ALA 26 1.795 7.066 -2.476 229 HB1 ALA 26 1HB ALA 26 -0.000 6.064 -1.179 230 HB2 ALA 26 2HB ALA 26 1.146 4.962 -0.419 231 HB3 ALA 26 3HB ALA 26 0.826 4.844 -2.149 Start of MODEL 15 1 H HIS 1 H HIS 1 2.627 5.885 -0.166 2 HA HIS 1 HA HIS 1 2.761 6.787 1.965 3 HB2 HIS 1 2HB HIS 1 3.248 9.355 0.456 4 HB3 HIS 1 1HB HIS 1 3.285 9.260 2.209 5 HD1 HIS 1 1HD HIS 1 5.394 8.737 -0.783 6 HD2 HIS 1 2HD HIS 1 5.388 7.609 3.222 7 HE1 HIS 1 1HE HIS 1 7.733 7.988 -0.268 8 H ASP 2 H ASP 2 0.494 8.481 -0.108 9 HA ASP 2 HA ASP 2 -1.012 9.857 1.778 10 HB2 ASP 2 2HB ASP 2 -2.020 8.583 -0.773 11 HB3 ASP 2 1HB ASP 2 -2.926 9.729 0.193 12 HA PRO 3 HA PRO 3 -3.035 6.886 4.316 13 HB2 PRO 3 2HB PRO 3 -5.442 8.612 4.198 14 HB3 PRO 3 1HB PRO 3 -4.508 8.096 5.606 15 HG2 PRO 3 2HG PRO 3 -4.389 10.601 4.693 16 HG3 PRO 3 1HG PRO 3 -2.956 9.792 5.347 17 HD2 PRO 3 2HD PRO 3 -3.699 10.315 2.496 18 HD3 PRO 3 1HD PRO 3 -2.115 10.375 3.296 19 H GLU 4 H GLU 4 -5.129 8.276 1.824 20 HA GLU 4 HA GLU 4 -6.944 6.134 1.689 21 HB2 GLU 4 2HB GLU 4 -6.257 8.239 -0.361 22 HB3 GLU 4 1HB GLU 4 -7.523 7.053 -0.606 23 HG2 GLU 4 2HG GLU 4 -8.498 9.132 0.111 24 HG3 GLU 4 1HG GLU 4 -8.690 7.929 1.379 25 H LYS 5 H LYS 5 -4.040 6.819 -0.112 26 HA LYS 5 HA LYS 5 -4.207 4.620 -1.892 27 HB2 LYS 5 2HB LYS 5 -1.882 6.303 -0.980 28 HB3 LYS 5 1HB LYS 5 -1.755 5.066 -2.221 29 HG2 LYS 5 2HG LYS 5 -3.703 7.334 -2.429 30 HG3 LYS 5 1HG LYS 5 -2.039 7.475 -3.008 31 HD2 LYS 5 2HD LYS 5 -2.384 5.656 -4.551 32 HD3 LYS 5 1HD LYS 5 -3.985 5.335 -3.903 33 HE2 LYS 5 2HE LYS 5 -3.160 7.908 -5.257 34 HE3 LYS 5 1HE LYS 5 -3.990 6.583 -6.062 35 HZ1 LYS 5 1HZ LYS 5 -5.829 6.859 -4.520 36 HZ2 LYS 5 2HZ LYS 5 -5.572 8.274 -5.381 37 HZ3 LYS 5 3HZ LYS 5 -5.074 8.171 -3.781 38 H ARG 6 H ARG 6 -2.652 5.083 1.239 39 HA ARG 6 HA ARG 6 -1.393 2.592 1.446 40 HB2 ARG 6 2HB ARG 6 -2.517 4.436 3.544 41 HB3 ARG 6 1HB ARG 6 -1.690 2.940 3.948 42 HG2 ARG 6 2HG ARG 6 0.350 3.737 2.975 43 HG3 ARG 6 1HG ARG 6 -0.463 5.172 2.349 44 HD2 ARG 6 2HD ARG 6 0.846 5.618 4.397 45 HD3 ARG 6 1HD ARG 6 -0.867 5.981 4.579 46 HE ARG 6 HE ARG 6 -0.506 3.389 5.464 47 HH11 ARG 6 1HH1 ARG 6 0.684 6.602 6.467 48 HH12 ARG 6 2HH1 ARG 6 0.722 6.206 8.114 49 HH21 ARG 6 1HH2 ARG 6 -0.411 2.891 7.758 50 HH22 ARG 6 2HH2 ARG 6 0.112 4.100 8.843 51 H LYS 7 H LYS 7 -4.646 3.614 2.396 52 HA LYS 7 HA LYS 7 -5.529 1.153 3.433 53 HB2 LYS 7 2HB LYS 7 -6.775 3.327 3.687 54 HB3 LYS 7 1HB LYS 7 -7.171 3.187 1.967 55 HG2 LYS 7 2HG LYS 7 -8.427 1.190 2.333 56 HG3 LYS 7 1HG LYS 7 -7.972 1.166 4.033 57 HD2 LYS 7 2HD LYS 7 -9.197 3.249 4.395 58 HD3 LYS 7 1HD LYS 7 -9.626 3.299 2.682 59 HE2 LYS 7 2HE LYS 7 -11.466 2.403 4.046 60 HE3 LYS 7 1HE LYS 7 -10.857 1.211 2.902 61 HZ1 LYS 7 1HZ LYS 7 -10.194 1.343 5.794 62 HZ2 LYS 7 2HZ LYS 7 -9.577 0.202 4.734 63 HZ3 LYS 7 3HZ LYS 7 -11.215 0.216 5.087 64 H GLU 8 H GLU 8 -5.671 2.518 0.198 65 HA GLU 8 HA GLU 8 -7.124 0.522 -1.005 66 HB2 GLU 8 2HB GLU 8 -6.829 2.592 -2.138 67 HB3 GLU 8 1HB GLU 8 -5.082 2.433 -2.115 68 HG2 GLU 8 2HG GLU 8 -5.184 0.633 -3.710 69 HG3 GLU 8 1HG GLU 8 -6.944 0.655 -3.670 70 H CYS 9 H CYS 9 -3.644 0.862 -0.579 71 HA CYS 9 HA CYS 9 -3.088 -1.561 -1.955 72 HB2 CYS 9 2HB CYS 9 -1.354 0.130 -0.181 73 HB3 CYS 9 1HB CYS 9 -0.781 -1.278 -1.074 74 H GLU 10 H GLU 10 -3.694 -0.754 1.375 75 HA GLU 10 HA GLU 10 -2.869 -3.176 2.573 76 HB2 GLU 10 2HB GLU 10 -3.401 -1.113 3.822 77 HB3 GLU 10 1HB GLU 10 -5.075 -1.237 3.323 78 HG2 GLU 10 2HG GLU 10 -5.299 -3.300 4.623 79 HG3 GLU 10 1HG GLU 10 -3.616 -3.154 5.126 80 H LYS 11 H LYS 11 -5.727 -2.146 0.952 81 HA LYS 11 HA LYS 11 -7.365 -4.450 1.429 82 HB2 LYS 11 2HB LYS 11 -8.363 -2.305 1.094 83 HB3 LYS 11 1HB LYS 11 -7.503 -2.078 -0.411 84 HG2 LYS 11 2HG LYS 11 -8.861 -3.903 -1.399 85 HG3 LYS 11 1HG LYS 11 -9.776 -3.980 0.114 86 HD2 LYS 11 2HD LYS 11 -10.484 -1.703 -0.122 87 HD3 LYS 11 1HD LYS 11 -9.427 -1.480 -1.509 88 HE2 LYS 11 2HE LYS 11 -10.762 -3.127 -2.761 89 HE3 LYS 11 1HE LYS 11 -11.830 -3.293 -1.367 90 HZ1 LYS 11 1HZ LYS 11 -12.718 -1.763 -3.042 91 HZ2 LYS 11 2HZ LYS 11 -11.383 -0.748 -2.853 92 HZ3 LYS 11 3HZ LYS 11 -12.442 -0.987 -1.580 93 H LYS 12 H LYS 12 -5.689 -3.135 -1.418 94 HA LYS 12 HA LYS 12 -6.371 -5.281 -3.132 95 HB2 LYS 12 2HB LYS 12 -5.913 -3.033 -3.975 96 HB3 LYS 12 1HB LYS 12 -4.256 -3.143 -3.418 97 HG2 LYS 12 2HG LYS 12 -4.355 -3.467 -5.815 98 HG3 LYS 12 1HG LYS 12 -3.850 -4.963 -5.031 99 HD2 LYS 12 2HD LYS 12 -6.119 -5.839 -5.224 100 HD3 LYS 12 1HD LYS 12 -6.648 -4.332 -5.977 101 HE2 LYS 12 2HE LYS 12 -6.278 -6.045 -7.664 102 HE3 LYS 12 1HE LYS 12 -5.104 -4.745 -7.844 103 HZ1 LYS 12 1HZ LYS 12 -4.098 -6.919 -8.076 104 HZ2 LYS 12 2HZ LYS 12 -4.569 -7.365 -6.523 105 HZ3 LYS 12 3HZ LYS 12 -3.454 -6.117 -6.758 106 H TYR 13 H TYR 13 -3.442 -4.542 -1.250 107 HA TYR 13 HA TYR 13 -2.285 -6.984 -2.317 108 HB2 TYR 13 2HB TYR 13 -0.888 -4.579 -1.144 109 HB3 TYR 13 1HB TYR 13 -0.093 -6.049 -1.681 110 HD1 TYR 13 1HD TYR 13 -0.238 -6.652 -4.152 111 HD2 TYR 13 2HD TYR 13 -1.362 -2.842 -2.641 112 HE1 TYR 13 1HE TYR 13 -0.023 -5.714 -6.390 113 HE2 TYR 13 2HE TYR 13 -1.154 -1.884 -4.888 114 HH TYR 13 HH TYR 13 0.056 -2.412 -7.016 115 H THR 14 H THR 14 -2.613 -8.594 -0.933 116 HA THR 14 HA THR 14 -2.419 -8.082 1.886 117 HB THR 14 HB THR 14 -2.653 -10.736 1.780 118 HG1 THR 14 1HG THR 14 -4.221 -10.980 -0.072 119 HG21 THR 14 1HG2 THR 14 -5.126 -10.419 1.840 120 HG22 THR 14 2HG2 THR 14 -4.879 -8.741 1.327 121 HG23 THR 14 3HG2 THR 14 -4.249 -9.294 2.871 122 H ASP 15 H ASP 15 -0.452 -8.863 -0.706 123 HA ASP 15 HA ASP 15 1.539 -10.370 0.652 124 HB2 ASP 15 2HB ASP 15 1.470 -10.398 -1.792 125 HB3 ASP 15 1HB ASP 15 1.786 -8.666 -1.843 126 HA PRO 16 HA PRO 16 2.984 -7.140 3.351 127 HB2 PRO 16 2HB PRO 16 5.419 -8.837 3.307 128 HB3 PRO 16 1HB PRO 16 4.520 -8.198 4.686 129 HG2 PRO 16 2HG PRO 16 4.299 -10.754 4.004 130 HG3 PRO 16 1HG PRO 16 2.886 -9.826 4.538 131 HD2 PRO 16 2HD PRO 16 3.644 -10.690 1.795 132 HD3 PRO 16 1HD PRO 16 2.048 -10.544 2.559 133 H LYS 17 H LYS 17 5.071 -8.360 0.716 134 HA LYS 17 HA LYS 17 6.864 -6.154 0.991 135 HB2 LYS 17 2HB LYS 17 7.517 -8.438 0.104 136 HB3 LYS 17 1HB LYS 17 6.654 -8.027 -1.368 137 HG2 LYS 17 2HG LYS 17 9.007 -7.654 -1.683 138 HG3 LYS 17 1HG LYS 17 8.169 -6.100 -1.672 139 HD2 LYS 17 2HD LYS 17 8.833 -5.733 0.648 140 HD3 LYS 17 1HD LYS 17 9.611 -7.316 0.689 141 HE2 LYS 17 2HE LYS 17 11.191 -6.571 -1.026 142 HE3 LYS 17 1HE LYS 17 10.386 -5.002 -1.078 143 HZ1 LYS 17 1HZ LYS 17 12.377 -4.939 0.307 144 HZ2 LYS 17 2HZ LYS 17 11.740 -6.154 1.295 145 HZ3 LYS 17 3HZ LYS 17 10.983 -4.658 1.226 146 H LYS 18 H LYS 18 4.299 -7.049 -1.245 147 HA LYS 18 HA LYS 18 4.484 -4.752 -2.891 148 HB2 LYS 18 2HB LYS 18 2.218 -6.637 -2.309 149 HB3 LYS 18 1HB LYS 18 2.038 -5.288 -3.421 150 HG2 LYS 18 2HG LYS 18 4.195 -7.338 -3.706 151 HG3 LYS 18 1HG LYS 18 2.603 -7.515 -4.458 152 HD2 LYS 18 2HD LYS 18 2.908 -5.554 -5.749 153 HD3 LYS 18 1HD LYS 18 4.348 -5.088 -4.851 154 HE2 LYS 18 2HE LYS 18 4.128 -7.572 -6.534 155 HE3 LYS 18 1HE LYS 18 4.797 -6.046 -7.109 156 HZ1 LYS 18 1HZ LYS 18 6.426 -6.199 -5.266 157 HZ2 LYS 18 2HZ LYS 18 6.589 -7.398 -6.416 158 HZ3 LYS 18 3HZ LYS 18 5.883 -7.762 -4.925 159 H ARG 19 H ARG 19 2.819 -5.357 0.054 160 HA ARG 19 HA ARG 19 1.342 -2.967 0.280 161 HB2 ARG 19 2HB ARG 19 1.042 -5.022 1.631 162 HB3 ARG 19 1HB ARG 19 2.578 -4.708 2.409 163 HG2 ARG 19 2HG ARG 19 1.653 -2.649 3.362 164 HG3 ARG 19 1HG ARG 19 0.097 -3.021 2.603 165 HD2 ARG 19 2HD ARG 19 0.082 -5.184 3.771 166 HD3 ARG 19 1HD ARG 19 1.562 -4.726 4.603 167 HE ARG 19 HE ARG 19 0.034 -2.740 5.318 168 HH11 ARG 19 1HH1 ARG 19 -0.647 -6.197 5.182 169 HH12 ARG 19 2HH1 ARG 19 -1.931 -6.138 6.301 170 HH21 ARG 19 1HH2 ARG 19 -1.733 -2.681 6.915 171 HH22 ARG 19 2HH2 ARG 19 -2.551 -4.111 7.301 172 H GLU 20 H GLU 20 4.517 -3.961 1.482 173 HA GLU 20 HA GLU 20 5.411 -1.626 2.703 174 HB2 GLU 20 2HB GLU 20 6.427 -3.874 2.870 175 HB3 GLU 20 1HB GLU 20 6.969 -3.735 1.211 176 HG2 GLU 20 2HG GLU 20 8.360 -1.807 1.881 177 HG3 GLU 20 1HG GLU 20 7.877 -2.093 3.555 178 H GLU 21 H GLU 21 5.915 -2.815 -0.605 179 HA GLU 21 HA GLU 21 7.380 -0.720 -1.667 180 HB2 GLU 21 2HB GLU 21 5.362 -2.528 -2.958 181 HB3 GLU 21 1HB GLU 21 6.304 -1.361 -3.868 182 HG2 GLU 21 2HG GLU 21 8.360 -2.489 -3.118 183 HG3 GLU 21 1HG GLU 21 7.379 -3.667 -2.246 184 H CYS 22 H CYS 22 3.865 -1.115 -1.566 185 HA CYS 22 HA CYS 22 3.350 1.320 -2.865 186 HB2 CYS 22 2HB CYS 22 1.626 -0.366 -2.809 187 HB3 CYS 22 1HB CYS 22 1.559 -0.291 -1.049 188 H LYS 23 H LYS 23 3.719 0.458 0.514 189 HA LYS 23 HA LYS 23 2.761 2.802 1.699 190 HB2 LYS 23 2HB LYS 23 3.247 0.648 2.857 191 HB3 LYS 23 1HB LYS 23 4.961 0.974 2.674 192 HG2 LYS 23 2HG LYS 23 4.752 2.941 4.083 193 HG3 LYS 23 1HG LYS 23 3.017 2.655 4.232 194 HD2 LYS 23 2HD LYS 23 3.520 0.442 5.235 195 HD3 LYS 23 1HD LYS 23 5.234 0.850 5.187 196 HE2 LYS 23 2HE LYS 23 4.282 1.271 7.399 197 HE3 LYS 23 1HE LYS 23 4.835 2.761 6.635 198 HZ1 LYS 23 1HZ LYS 23 2.670 2.988 7.716 199 HZ2 LYS 23 2HZ LYS 23 1.996 1.852 6.661 200 HZ3 LYS 23 3HZ LYS 23 2.606 3.315 6.073 201 H ARG 24 H ARG 24 5.883 1.940 0.410 202 HA ARG 24 HA ARG 24 7.123 4.465 1.139 203 HB2 ARG 24 2HB ARG 24 8.088 2.166 -0.547 204 HB3 ARG 24 1HB ARG 24 9.062 3.554 -0.112 205 HG2 ARG 24 2HG ARG 24 8.901 2.922 2.244 206 HG3 ARG 24 1HG ARG 24 7.903 1.534 1.797 207 HD2 ARG 24 2HD ARG 24 10.219 0.843 2.101 208 HD3 ARG 24 1HD ARG 24 9.727 0.669 0.420 209 HE ARG 24 HE ARG 24 11.153 3.074 1.275 210 HH11 ARG 24 1HH1 ARG 24 11.142 0.090 -0.664 211 HH12 ARG 24 2HH1 ARG 24 12.479 0.507 -1.601 212 HH21 ARG 24 1HH2 ARG 24 13.053 3.638 -0.031 213 HH22 ARG 24 2HH2 ARG 24 13.604 2.561 -1.228 214 H LYS 25 H LYS 25 5.063 3.497 -1.270 215 HA LYS 25 HA LYS 25 6.349 5.083 -3.374 216 HB2 LYS 25 2HB LYS 25 5.638 2.801 -3.954 217 HB3 LYS 25 1HB LYS 25 3.996 3.208 -3.498 218 HG2 LYS 25 2HG LYS 25 3.901 4.842 -5.324 219 HG3 LYS 25 1HG LYS 25 5.543 4.389 -5.794 220 HD2 LYS 25 2HD LYS 25 4.802 2.088 -6.168 221 HD3 LYS 25 1HD LYS 25 3.170 2.530 -5.689 222 HE2 LYS 25 2HE LYS 25 3.352 2.432 -8.114 223 HE3 LYS 25 1HE LYS 25 3.023 4.075 -7.580 224 HZ1 LYS 25 1HZ LYS 25 5.389 4.596 -7.895 225 HZ2 LYS 25 2HZ LYS 25 4.729 3.983 -9.316 226 HZ3 LYS 25 3HZ LYS 25 5.688 3.012 -8.374 227 H ALA 26 H ALA 26 3.149 4.646 -1.931 228 HA ALA 26 HA ALA 26 2.329 7.095 -3.244 229 HB1 ALA 26 1HB ALA 26 0.073 6.484 -2.720 230 HB2 ALA 26 2HB ALA 26 0.646 5.173 -1.688 231 HB3 ALA 26 3HB ALA 26 0.918 5.108 -3.429 Start of MODEL 16 1 H HIS 1 H HIS 1 1.313 8.439 -2.096 2 HA HIS 1 HA HIS 1 2.211 8.913 0.655 3 HB2 HIS 1 2HB HIS 1 2.277 10.751 -1.751 4 HB3 HIS 1 1HB HIS 1 2.699 11.248 -0.116 5 HD1 HIS 1 1HD HIS 1 5.137 10.996 0.476 6 HD2 HIS 1 2HD HIS 1 4.017 8.604 -2.727 7 HE1 HIS 1 1HE HIS 1 7.256 9.943 -0.379 8 H ASP 2 H ASP 2 -0.446 8.460 -0.924 9 HA ASP 2 HA ASP 2 -2.133 10.642 -0.103 10 HB2 ASP 2 2HB ASP 2 -2.790 7.793 -0.935 11 HB3 ASP 2 1HB ASP 2 -3.992 9.033 -0.634 12 HA PRO 3 HA PRO 3 -2.877 9.218 4.126 13 HB2 PRO 3 2HB PRO 3 -5.587 9.711 4.341 14 HB3 PRO 3 1HB PRO 3 -4.351 10.960 4.522 15 HG2 PRO 3 2HG PRO 3 -6.022 10.277 2.131 16 HG3 PRO 3 1HG PRO 3 -5.586 11.873 2.770 17 HD2 PRO 3 2HD PRO 3 -4.337 10.838 0.641 18 HD3 PRO 3 1HD PRO 3 -3.456 11.794 1.850 19 H GLU 4 H GLU 4 -4.489 8.124 1.407 20 HA GLU 4 HA GLU 4 -5.926 5.853 2.472 21 HB2 GLU 4 2HB GLU 4 -5.246 6.615 -0.365 22 HB3 GLU 4 1HB GLU 4 -6.409 5.403 0.132 23 HG2 GLU 4 2HG GLU 4 -6.630 8.333 0.751 24 HG3 GLU 4 1HG GLU 4 -7.395 7.538 -0.620 25 H LYS 5 H LYS 5 -2.693 6.406 2.045 26 HA LYS 5 HA LYS 5 -1.677 4.597 0.296 27 HB2 LYS 5 2HB LYS 5 0.437 4.573 1.586 28 HB3 LYS 5 1HB LYS 5 -0.203 6.171 1.271 29 HG2 LYS 5 2HG LYS 5 -0.968 6.340 3.572 30 HG3 LYS 5 1HG LYS 5 -0.416 4.691 3.890 31 HD2 LYS 5 2HD LYS 5 1.878 5.368 3.326 32 HD3 LYS 5 1HD LYS 5 1.313 7.015 3.058 33 HE2 LYS 5 2HE LYS 5 0.657 7.200 5.376 34 HE3 LYS 5 1HE LYS 5 1.094 5.518 5.660 35 HZ1 LYS 5 1HZ LYS 5 2.956 7.691 4.880 36 HZ2 LYS 5 2HZ LYS 5 3.400 6.089 5.121 37 HZ3 LYS 5 3HZ LYS 5 2.824 7.012 6.415 38 H ARG 6 H ARG 6 -2.069 3.686 3.763 39 HA ARG 6 HA ARG 6 -1.208 1.025 3.199 40 HB2 ARG 6 2HB ARG 6 -1.006 1.780 5.500 41 HB3 ARG 6 1HB ARG 6 -2.738 2.106 5.583 42 HG2 ARG 6 2HG ARG 6 -3.146 -0.319 5.166 43 HG3 ARG 6 1HG ARG 6 -1.416 -0.582 5.308 44 HD2 ARG 6 2HD ARG 6 -1.426 -0.012 7.590 45 HD3 ARG 6 1HD ARG 6 -3.040 0.704 7.482 46 HE ARG 6 HE ARG 6 -3.007 -2.046 6.716 47 HH11 ARG 6 1HH1 ARG 6 -3.025 -0.015 9.592 48 HH12 ARG 6 2HH1 ARG 6 -3.986 -1.073 10.506 49 HH21 ARG 6 1HH2 ARG 6 -4.353 -3.431 7.861 50 HH22 ARG 6 2HH2 ARG 6 -4.789 -3.117 9.487 51 H LYS 7 H LYS 7 -4.214 2.630 3.534 52 HA LYS 7 HA LYS 7 -6.036 0.559 3.561 53 HB2 LYS 7 2HB LYS 7 -6.455 3.005 3.921 54 HB3 LYS 7 1HB LYS 7 -6.264 3.176 2.182 55 HG2 LYS 7 2HG LYS 7 -8.230 1.844 1.793 56 HG3 LYS 7 1HG LYS 7 -8.438 1.629 3.540 57 HD2 LYS 7 2HD LYS 7 -8.673 3.974 3.872 58 HD3 LYS 7 1HD LYS 7 -8.281 4.306 2.192 59 HE2 LYS 7 2HE LYS 7 -10.341 3.043 1.562 60 HE3 LYS 7 1HE LYS 7 -10.734 2.962 3.281 61 HZ1 LYS 7 1HZ LYS 7 -11.786 4.853 2.143 62 HZ2 LYS 7 2HZ LYS 7 -10.245 5.476 1.804 63 HZ3 LYS 7 3HZ LYS 7 -10.771 5.334 3.394 64 H GLU 8 H GLU 8 -4.993 2.436 0.765 65 HA GLU 8 HA GLU 8 -6.377 0.889 -1.084 66 HB2 GLU 8 2HB GLU 8 -5.700 3.182 -1.552 67 HB3 GLU 8 1HB GLU 8 -4.008 2.719 -1.478 68 HG2 GLU 8 2HG GLU 8 -4.318 1.281 -3.433 69 HG3 GLU 8 1HG GLU 8 -6.006 1.765 -3.513 70 H CYS 9 H CYS 9 -3.069 0.831 0.142 71 HA CYS 9 HA CYS 9 -2.277 -1.046 -1.860 72 HB2 CYS 9 2HB CYS 9 -0.780 -0.055 0.556 73 HB3 CYS 9 1HB CYS 9 -0.105 -1.147 -0.652 74 H GLU 10 H GLU 10 -3.529 -1.327 1.333 75 HA GLU 10 HA GLU 10 -2.823 -4.125 1.527 76 HB2 GLU 10 2HB GLU 10 -2.957 -2.584 3.507 77 HB3 GLU 10 1HB GLU 10 -4.682 -2.463 3.233 78 HG2 GLU 10 2HG GLU 10 -5.012 -4.745 3.792 79 HG3 GLU 10 1HG GLU 10 -3.275 -5.050 3.826 80 H LYS 11 H LYS 11 -5.428 -2.142 0.466 81 HA LYS 11 HA LYS 11 -7.480 -4.085 0.368 82 HB2 LYS 11 2HB LYS 11 -7.864 -1.663 0.255 83 HB3 LYS 11 1HB LYS 11 -7.005 -1.594 -1.268 84 HG2 LYS 11 2HG LYS 11 -8.757 -2.984 -2.287 85 HG3 LYS 11 1HG LYS 11 -9.629 -2.964 -0.749 86 HD2 LYS 11 2HD LYS 11 -9.745 -0.533 -0.831 87 HD3 LYS 11 1HD LYS 11 -8.856 -0.534 -2.352 88 HE2 LYS 11 2HE LYS 11 -10.679 -1.805 -3.397 89 HE3 LYS 11 1HE LYS 11 -11.548 -1.773 -1.862 90 HZ1 LYS 11 1HZ LYS 11 -10.757 0.627 -3.401 91 HZ2 LYS 11 2HZ LYS 11 -11.665 0.612 -1.990 92 HZ3 LYS 11 3HZ LYS 11 -12.293 -0.056 -3.405 93 H LYS 12 H LYS 12 -5.034 -2.958 -1.909 94 HA LYS 12 HA LYS 12 -5.879 -4.906 -3.872 95 HB2 LYS 12 2HB LYS 12 -5.166 -2.661 -4.575 96 HB3 LYS 12 1HB LYS 12 -3.562 -2.971 -3.934 97 HG2 LYS 12 2HG LYS 12 -3.568 -3.225 -6.347 98 HG3 LYS 12 1HG LYS 12 -3.264 -4.780 -5.574 99 HD2 LYS 12 2HD LYS 12 -5.584 -5.429 -5.911 100 HD3 LYS 12 1HD LYS 12 -5.947 -3.855 -6.619 101 HE2 LYS 12 2HE LYS 12 -5.664 -5.501 -8.370 102 HE3 LYS 12 1HE LYS 12 -4.341 -4.342 -8.429 103 HZ1 LYS 12 1HZ LYS 12 -3.575 -6.590 -8.723 104 HZ2 LYS 12 2HZ LYS 12 -4.190 -7.063 -7.230 105 HZ3 LYS 12 3HZ LYS 12 -2.921 -5.955 -7.317 106 H TYR 13 H TYR 13 -3.010 -4.356 -1.795 107 HA TYR 13 HA TYR 13 -2.004 -6.952 -2.682 108 HB2 TYR 13 2HB TYR 13 -0.470 -4.722 -1.334 109 HB3 TYR 13 1HB TYR 13 0.195 -6.196 -2.019 110 HD1 TYR 13 1HD TYR 13 0.378 -6.434 -4.469 111 HD2 TYR 13 2HD TYR 13 -1.036 -2.849 -2.699 112 HE1 TYR 13 1HE TYR 13 0.766 -5.256 -6.573 113 HE2 TYR 13 2HE TYR 13 -0.667 -1.646 -4.802 114 HH TYR 13 HH TYR 13 -0.165 -3.168 -7.708 115 H THR 14 H THR 14 -2.435 -8.493 -1.250 116 HA THR 14 HA THR 14 -2.554 -7.769 1.548 117 HB THR 14 HB THR 14 -3.295 -10.196 1.837 118 HG1 THR 14 1HG THR 14 -2.453 -10.977 -0.145 119 HG21 THR 14 1HG2 THR 14 -4.952 -8.471 -0.016 120 HG22 THR 14 2HG2 THR 14 -4.856 -8.273 1.727 121 HG23 THR 14 3HG2 THR 14 -5.569 -9.735 1.052 122 H ASP 15 H ASP 15 -0.438 -8.835 -0.726 123 HA ASP 15 HA ASP 15 1.348 -10.383 0.872 124 HB2 ASP 15 2HB ASP 15 1.405 -10.521 -1.564 125 HB3 ASP 15 1HB ASP 15 1.790 -8.806 -1.675 126 HA PRO 16 HA PRO 16 2.587 -6.898 3.329 127 HB2 PRO 16 2HB PRO 16 4.824 -8.007 4.450 128 HB3 PRO 16 1HB PRO 16 3.169 -8.334 4.979 129 HG2 PRO 16 2HG PRO 16 4.922 -9.932 3.168 130 HG3 PRO 16 1HG PRO 16 3.882 -10.495 4.490 131 HD2 PRO 16 2HD PRO 16 3.128 -10.689 1.930 132 HD3 PRO 16 1HD PRO 16 1.952 -10.307 3.207 133 H LYS 17 H LYS 17 4.871 -8.456 1.140 134 HA LYS 17 HA LYS 17 6.841 -6.412 1.395 135 HB2 LYS 17 2HB LYS 17 7.413 -8.722 0.700 136 HB3 LYS 17 1HB LYS 17 6.462 -8.504 -0.757 137 HG2 LYS 17 2HG LYS 17 7.997 -6.761 -1.510 138 HG3 LYS 17 1HG LYS 17 8.943 -6.954 -0.034 139 HD2 LYS 17 2HD LYS 17 9.411 -9.287 -0.652 140 HD3 LYS 17 1HD LYS 17 8.479 -9.076 -2.134 141 HE2 LYS 17 2HE LYS 17 10.950 -7.510 -1.396 142 HE3 LYS 17 1HE LYS 17 10.912 -8.889 -2.494 143 HZ1 LYS 17 1HZ LYS 17 10.889 -6.765 -3.671 144 HZ2 LYS 17 2HZ LYS 17 9.464 -6.312 -2.914 145 HZ3 LYS 17 3HZ LYS 17 9.473 -7.617 -3.967 146 H LYS 18 H LYS 18 4.504 -7.323 -1.101 147 HA LYS 18 HA LYS 18 4.899 -5.088 -2.770 148 HB2 LYS 18 2HB LYS 18 2.419 -6.758 -2.379 149 HB3 LYS 18 1HB LYS 18 2.643 -5.597 -3.675 150 HG2 LYS 18 2HG LYS 18 4.492 -6.904 -4.540 151 HG3 LYS 18 1HG LYS 18 4.293 -8.066 -3.219 152 HD2 LYS 18 2HD LYS 18 2.005 -8.523 -4.019 153 HD3 LYS 18 1HD LYS 18 2.273 -7.404 -5.359 154 HE2 LYS 18 2HE LYS 18 4.141 -8.794 -6.121 155 HE3 LYS 18 1HE LYS 18 3.827 -9.915 -4.801 156 HZ1 LYS 18 1HZ LYS 18 1.923 -9.280 -6.996 157 HZ2 LYS 18 2HZ LYS 18 1.632 -10.332 -5.734 158 HZ3 LYS 18 3HZ LYS 18 2.838 -10.690 -6.860 159 H ARG 19 H ARG 19 2.680 -5.663 -0.109 160 HA ARG 19 HA ARG 19 1.232 -3.295 -0.282 161 HB2 ARG 19 2HB ARG 19 0.446 -5.116 1.077 162 HB3 ARG 19 1HB ARG 19 1.853 -5.006 2.119 163 HG2 ARG 19 2HG ARG 19 1.119 -2.933 3.021 164 HG3 ARG 19 1HG ARG 19 -0.165 -2.805 1.821 165 HD2 ARG 19 2HD ARG 19 -1.051 -3.516 3.966 166 HD3 ARG 19 1HD ARG 19 -1.247 -4.761 2.741 167 HE ARG 19 HE ARG 19 1.003 -4.918 4.595 168 HH11 ARG 19 1HH1 ARG 19 -2.049 -6.258 3.362 169 HH12 ARG 19 2HH1 ARG 19 -2.056 -7.592 4.422 170 HH21 ARG 19 1HH2 ARG 19 0.988 -6.841 6.021 171 HH22 ARG 19 2HH2 ARG 19 -0.309 -7.939 5.931 172 H GLU 20 H GLU 20 4.221 -3.962 1.536 173 HA GLU 20 HA GLU 20 4.263 -1.363 2.678 174 HB2 GLU 20 2HB GLU 20 5.441 -3.277 3.693 175 HB3 GLU 20 1HB GLU 20 6.563 -3.286 2.337 176 HG2 GLU 20 2HG GLU 20 7.319 -1.057 2.926 177 HG3 GLU 20 1HG GLU 20 6.163 -1.004 4.251 178 H GLU 21 H GLU 21 5.820 -2.822 -0.133 179 HA GLU 21 HA GLU 21 7.338 -0.574 -0.854 180 HB2 GLU 21 2HB GLU 21 6.215 -2.829 -2.474 181 HB3 GLU 21 1HB GLU 21 7.195 -1.554 -3.184 182 HG2 GLU 21 2HG GLU 21 9.033 -2.179 -1.618 183 HG3 GLU 21 1HG GLU 21 8.018 -3.468 -0.980 184 H CYS 22 H CYS 22 4.075 -1.550 -1.640 185 HA CYS 22 HA CYS 22 3.570 0.511 -3.390 186 HB2 CYS 22 2HB CYS 22 2.139 -1.431 -3.336 187 HB3 CYS 22 1HB CYS 22 1.698 -1.117 -1.666 188 H LYS 23 H LYS 23 3.029 0.170 0.115 189 HA LYS 23 HA LYS 23 1.704 2.624 0.559 190 HB2 LYS 23 2HB LYS 23 1.661 0.653 2.077 191 HB3 LYS 23 1HB LYS 23 3.342 0.949 2.474 192 HG2 LYS 23 2HG LYS 23 2.722 3.091 3.487 193 HG3 LYS 23 1HG LYS 23 1.035 2.796 3.073 194 HD2 LYS 23 2HD LYS 23 1.370 2.224 5.389 195 HD3 LYS 23 1HD LYS 23 1.094 0.748 4.473 196 HE2 LYS 23 2HE LYS 23 2.878 0.395 6.072 197 HE3 LYS 23 1HE LYS 23 3.538 0.341 4.444 198 HZ1 LYS 23 1HZ LYS 23 4.399 2.561 4.722 199 HZ2 LYS 23 2HZ LYS 23 4.914 1.602 6.005 200 HZ3 LYS 23 3HZ LYS 23 3.658 2.706 6.234 201 H ARG 24 H ARG 24 4.928 1.912 -0.065 202 HA ARG 24 HA ARG 24 6.066 4.266 1.184 203 HB2 ARG 24 2HB ARG 24 7.249 2.065 1.004 204 HB3 ARG 24 1HB ARG 24 7.278 2.272 -0.732 205 HG2 ARG 24 2HG ARG 24 8.690 4.247 -0.473 206 HG3 ARG 24 1HG ARG 24 8.653 4.035 1.282 207 HD2 ARG 24 2HD ARG 24 9.619 1.784 0.998 208 HD3 ARG 24 1HD ARG 24 9.735 2.071 -0.731 209 HE ARG 24 HE ARG 24 11.029 4.130 0.651 210 HH11 ARG 24 1HH1 ARG 24 11.473 0.692 -0.175 211 HH12 ARG 24 2HH1 ARG 24 13.157 0.741 -0.059 212 HH21 ARG 24 1HH2 ARG 24 13.362 4.198 0.736 213 HH22 ARG 24 2HH2 ARG 24 14.260 2.787 0.450 214 H LYS 25 H LYS 25 4.769 3.248 -1.842 215 HA LYS 25 HA LYS 25 5.867 5.519 -3.297 216 HB2 LYS 25 2HB LYS 25 5.925 3.316 -4.356 217 HB3 LYS 25 1HB LYS 25 4.193 3.152 -4.172 218 HG2 LYS 25 2HG LYS 25 3.877 5.043 -5.716 219 HG3 LYS 25 1HG LYS 25 5.629 5.153 -5.899 220 HD2 LYS 25 2HD LYS 25 5.681 2.869 -6.766 221 HD3 LYS 25 1HD LYS 25 3.931 2.766 -6.599 222 HE2 LYS 25 2HE LYS 25 4.564 3.263 -8.903 223 HE3 LYS 25 1HE LYS 25 3.657 4.593 -8.193 224 HZ1 LYS 25 1HZ LYS 25 5.729 5.785 -7.840 225 HZ2 LYS 25 2HZ LYS 25 5.583 5.362 -9.456 226 HZ3 LYS 25 3HZ LYS 25 6.618 4.488 -8.461 227 H ALA 26 H ALA 26 3.082 4.480 -1.658 228 HA ALA 26 HA ALA 26 1.383 6.490 -2.861 229 HB1 ALA 26 1HB ALA 26 0.796 4.494 -0.674 230 HB2 ALA 26 2HB ALA 26 0.440 4.269 -2.383 231 HB3 ALA 26 3HB ALA 26 -0.383 5.536 -1.470 Start of MODEL 17 1 H HIS 1 H HIS 1 1.547 8.645 -1.342 2 HA HIS 1 HA HIS 1 2.808 9.260 1.234 3 HB2 HIS 1 2HB HIS 1 2.069 11.041 -1.112 4 HB3 HIS 1 1HB HIS 1 2.584 11.673 0.443 5 HD1 HIS 1 1HD HIS 1 5.043 12.136 0.601 6 HD2 HIS 1 2HD HIS 1 4.157 9.304 -2.309 7 HE1 HIS 1 1HE HIS 1 7.234 11.598 -0.535 8 H ASP 2 H ASP 2 -0.085 8.664 -0.253 9 HA ASP 2 HA ASP 2 -1.676 10.330 1.556 10 HB2 ASP 2 2HB ASP 2 -2.589 8.597 -0.743 11 HB3 ASP 2 1HB ASP 2 -3.606 9.647 0.210 12 HA PRO 3 HA PRO 3 -2.394 6.660 4.030 13 HB2 PRO 3 2HB PRO 3 -4.590 7.614 5.383 14 HB3 PRO 3 1HB PRO 3 -2.931 8.015 5.826 15 HG2 PRO 3 2HG PRO 3 -4.901 9.584 4.234 16 HG3 PRO 3 1HG PRO 3 -3.755 10.155 5.464 17 HD2 PRO 3 2HD PRO 3 -3.330 10.444 2.806 18 HD3 PRO 3 1HD PRO 3 -1.994 10.185 3.952 19 H GLU 4 H GLU 4 -4.659 8.227 1.970 20 HA GLU 4 HA GLU 4 -6.726 6.287 1.966 21 HB2 GLU 4 2HB GLU 4 -5.905 8.190 -0.239 22 HB3 GLU 4 1HB GLU 4 -7.425 7.314 -0.151 23 HG2 GLU 4 2HG GLU 4 -6.481 9.435 1.758 24 HG3 GLU 4 1HG GLU 4 -7.721 9.621 0.521 25 H LYS 5 H LYS 5 -3.905 6.832 -0.121 26 HA LYS 5 HA LYS 5 -4.343 4.585 -1.763 27 HB2 LYS 5 2HB LYS 5 -2.045 6.419 -1.322 28 HB3 LYS 5 1HB LYS 5 -1.710 4.873 -2.078 29 HG2 LYS 5 2HG LYS 5 -2.040 6.641 -3.728 30 HG3 LYS 5 1HG LYS 5 -3.259 5.380 -3.871 31 HD2 LYS 5 2HD LYS 5 -4.850 6.808 -2.668 32 HD3 LYS 5 1HD LYS 5 -3.619 8.066 -2.545 33 HE2 LYS 5 2HE LYS 5 -3.510 8.252 -4.939 34 HE3 LYS 5 1HE LYS 5 -4.640 6.916 -5.130 35 HZ1 LYS 5 1HZ LYS 5 -6.322 8.264 -4.015 36 HZ2 LYS 5 2HZ LYS 5 -5.743 9.031 -5.393 37 HZ3 LYS 5 3HZ LYS 5 -5.220 9.534 -3.876 38 H ARG 6 H ARG 6 -2.515 5.040 1.174 39 HA ARG 6 HA ARG 6 -1.304 2.521 1.327 40 HB2 ARG 6 2HB ARG 6 -2.358 4.291 3.506 41 HB3 ARG 6 1HB ARG 6 -1.484 2.807 3.826 42 HG2 ARG 6 2HG ARG 6 0.460 3.718 2.643 43 HG3 ARG 6 1HG ARG 6 -0.432 5.224 2.377 44 HD2 ARG 6 2HD ARG 6 1.055 5.332 4.356 45 HD3 ARG 6 1HD ARG 6 -0.651 5.564 4.740 46 HE ARG 6 HE ARG 6 0.153 2.843 4.966 47 HH11 ARG 6 1HH1 ARG 6 0.184 5.929 6.685 48 HH12 ARG 6 2HH1 ARG 6 0.141 5.236 8.234 49 HH21 ARG 6 1HH2 ARG 6 0.106 1.883 7.086 50 HH22 ARG 6 2HH2 ARG 6 0.125 2.881 8.471 51 H LYS 7 H LYS 7 -4.496 3.557 2.341 52 HA LYS 7 HA LYS 7 -5.402 1.171 3.512 53 HB2 LYS 7 2HB LYS 7 -6.471 3.442 3.677 54 HB3 LYS 7 1HB LYS 7 -6.959 3.224 1.998 55 HG2 LYS 7 2HG LYS 7 -8.404 1.419 2.568 56 HG3 LYS 7 1HG LYS 7 -7.849 1.442 4.247 57 HD2 LYS 7 2HD LYS 7 -8.666 3.747 4.458 58 HD3 LYS 7 1HD LYS 7 -9.275 3.674 2.808 59 HE2 LYS 7 2HE LYS 7 -10.800 1.889 3.431 60 HE3 LYS 7 1HE LYS 7 -10.149 1.888 5.070 61 HZ1 LYS 7 1HZ LYS 7 -10.960 4.130 5.378 62 HZ2 LYS 7 2HZ LYS 7 -12.250 3.163 4.872 63 HZ3 LYS 7 3HZ LYS 7 -11.486 4.197 3.787 64 H GLU 8 H GLU 8 -5.789 2.506 0.252 65 HA GLU 8 HA GLU 8 -7.221 0.392 -0.789 66 HB2 GLU 8 2HB GLU 8 -5.386 2.306 -2.231 67 HB3 GLU 8 1HB GLU 8 -6.541 1.244 -3.021 68 HG2 GLU 8 2HG GLU 8 -8.362 2.374 -1.802 69 HG3 GLU 8 1HG GLU 8 -7.175 3.480 -1.114 70 H CYS 9 H CYS 9 -3.760 0.966 -0.608 71 HA CYS 9 HA CYS 9 -3.043 -1.313 -2.129 72 HB2 CYS 9 2HB CYS 9 -1.436 0.468 -0.333 73 HB3 CYS 9 1HB CYS 9 -0.739 -0.889 -1.211 74 H GLU 10 H GLU 10 -3.506 -0.804 1.328 75 HA GLU 10 HA GLU 10 -2.363 -3.284 2.094 76 HB2 GLU 10 2HB GLU 10 -2.749 -1.408 3.663 77 HB3 GLU 10 1HB GLU 10 -4.482 -1.632 3.483 78 HG2 GLU 10 2HG GLU 10 -4.304 -3.853 4.457 79 HG3 GLU 10 1HG GLU 10 -2.562 -3.647 4.622 80 H LYS 11 H LYS 11 -5.522 -2.212 1.160 81 HA LYS 11 HA LYS 11 -6.963 -4.604 1.528 82 HB2 LYS 11 2HB LYS 11 -8.107 -2.515 1.198 83 HB3 LYS 11 1HB LYS 11 -7.300 -2.257 -0.338 84 HG2 LYS 11 2HG LYS 11 -8.503 -4.194 -1.257 85 HG3 LYS 11 1HG LYS 11 -9.369 -4.354 0.272 86 HD2 LYS 11 2HD LYS 11 -10.323 -2.146 -0.008 87 HD3 LYS 11 1HD LYS 11 -9.381 -1.896 -1.478 88 HE2 LYS 11 2HE LYS 11 -11.649 -2.495 -2.077 89 HE3 LYS 11 1HE LYS 11 -10.549 -3.794 -2.512 90 HZ1 LYS 11 1HZ LYS 11 -12.597 -4.592 -1.461 91 HZ2 LYS 11 2HZ LYS 11 -12.205 -3.777 -0.053 92 HZ3 LYS 11 3HZ LYS 11 -11.217 -5.035 -0.604 93 H LYS 12 H LYS 12 -5.523 -3.166 -1.363 94 HA LYS 12 HA LYS 12 -6.059 -5.204 -3.194 95 HB2 LYS 12 2HB LYS 12 -5.512 -2.920 -3.827 96 HB3 LYS 12 1HB LYS 12 -3.889 -3.118 -3.189 97 HG2 LYS 12 2HG LYS 12 -3.514 -4.894 -4.894 98 HG3 LYS 12 1HG LYS 12 -5.082 -4.482 -5.591 99 HD2 LYS 12 2HD LYS 12 -4.326 -2.195 -5.969 100 HD3 LYS 12 1HD LYS 12 -2.768 -2.578 -5.232 101 HE2 LYS 12 2HE LYS 12 -2.461 -4.313 -6.969 102 HE3 LYS 12 1HE LYS 12 -3.921 -3.720 -7.766 103 HZ1 LYS 12 1HZ LYS 12 -1.960 -2.779 -8.753 104 HZ2 LYS 12 2HZ LYS 12 -1.401 -2.234 -7.285 105 HZ3 LYS 12 3HZ LYS 12 -2.787 -1.531 -7.969 106 H TYR 13 H TYR 13 -3.056 -4.536 -1.371 107 HA TYR 13 HA TYR 13 -1.933 -6.963 -2.492 108 HB2 TYR 13 2HB TYR 13 -0.587 -4.779 -0.895 109 HB3 TYR 13 1HB TYR 13 0.210 -6.163 -1.626 110 HD1 TYR 13 1HD TYR 13 0.118 -6.358 -4.180 111 HD2 TYR 13 2HD TYR 13 -0.867 -2.817 -2.080 112 HE1 TYR 13 1HE TYR 13 0.464 -5.072 -6.224 113 HE2 TYR 13 2HE TYR 13 -0.522 -1.494 -4.125 114 HH TYR 13 HH TYR 13 0.688 -1.691 -6.237 115 H THR 14 H THR 14 -2.552 -8.639 -1.366 116 HA THR 14 HA THR 14 -2.751 -8.607 1.489 117 HB THR 14 HB THR 14 -3.030 -11.111 1.127 118 HG1 THR 14 1HG THR 14 -2.864 -11.907 -0.833 119 HG21 THR 14 1HG2 THR 14 -4.783 -9.269 -0.501 120 HG22 THR 14 2HG2 THR 14 -4.970 -9.631 1.214 121 HG23 THR 14 3HG2 THR 14 -5.220 -10.895 0.017 122 H ASP 15 H ASP 15 -0.459 -9.000 -0.898 123 HA ASP 15 HA ASP 15 1.533 -10.553 0.404 124 HB2 ASP 15 2HB ASP 15 1.367 -10.221 -2.061 125 HB3 ASP 15 1HB ASP 15 1.786 -8.532 -1.828 126 HA PRO 16 HA PRO 16 2.490 -7.196 3.225 127 HB2 PRO 16 2HB PRO 16 4.721 -8.331 4.346 128 HB3 PRO 16 1HB PRO 16 3.068 -8.736 4.816 129 HG2 PRO 16 2HG PRO 16 4.915 -10.187 2.962 130 HG3 PRO 16 1HG PRO 16 3.824 -10.845 4.194 131 HD2 PRO 16 2HD PRO 16 3.205 -10.871 1.583 132 HD3 PRO 16 1HD PRO 16 1.965 -10.643 2.833 133 H LYS 17 H LYS 17 4.729 -8.504 0.894 134 HA LYS 17 HA LYS 17 6.682 -6.449 1.348 135 HB2 LYS 17 2HB LYS 17 6.468 -8.524 -0.816 136 HB3 LYS 17 1HB LYS 17 7.885 -7.513 -0.521 137 HG2 LYS 17 2HG LYS 17 8.144 -8.521 1.671 138 HG3 LYS 17 1HG LYS 17 6.703 -9.495 1.407 139 HD2 LYS 17 2HD LYS 17 7.859 -10.521 -0.559 140 HD3 LYS 17 1HD LYS 17 9.318 -9.645 -0.082 141 HE2 LYS 17 2HE LYS 17 9.261 -10.723 2.101 142 HE3 LYS 17 1HE LYS 17 7.801 -11.586 1.643 143 HZ1 LYS 17 1HZ LYS 17 10.472 -11.891 0.390 144 HZ2 LYS 17 2HZ LYS 17 9.069 -12.699 -0.093 145 HZ3 LYS 17 3HZ LYS 17 9.712 -12.974 1.430 146 H LYS 18 H LYS 18 4.229 -7.223 -1.072 147 HA LYS 18 HA LYS 18 4.764 -4.817 -2.489 148 HB2 LYS 18 2HB LYS 18 2.485 -6.752 -2.683 149 HB3 LYS 18 1HB LYS 18 2.488 -5.240 -3.586 150 HG2 LYS 18 2HG LYS 18 4.735 -5.903 -4.455 151 HG3 LYS 18 1HG LYS 18 4.432 -7.498 -3.764 152 HD2 LYS 18 2HD LYS 18 2.651 -7.898 -5.229 153 HD3 LYS 18 1HD LYS 18 2.519 -6.190 -5.667 154 HE2 LYS 18 2HE LYS 18 4.846 -7.994 -6.302 155 HE3 LYS 18 1HE LYS 18 3.605 -7.484 -7.447 156 HZ1 LYS 18 1HZ LYS 18 5.612 -6.086 -7.650 157 HZ2 LYS 18 2HZ LYS 18 5.518 -5.664 -6.037 158 HZ3 LYS 18 3HZ LYS 18 4.306 -5.173 -7.093 159 H ARG 19 H ARG 19 2.658 -5.623 0.101 160 HA ARG 19 HA ARG 19 1.187 -3.247 0.334 161 HB2 ARG 19 2HB ARG 19 0.923 -5.280 1.772 162 HB3 ARG 19 1HB ARG 19 2.466 -4.922 2.521 163 HG2 ARG 19 2HG ARG 19 1.490 -2.803 3.384 164 HG3 ARG 19 1HG ARG 19 -0.074 -3.313 2.736 165 HD2 ARG 19 2HD ARG 19 0.061 -5.370 4.101 166 HD3 ARG 19 1HD ARG 19 1.582 -4.800 4.778 167 HE ARG 19 HE ARG 19 -0.829 -3.178 5.093 168 HH11 ARG 19 1HH1 ARG 19 1.702 -5.169 6.631 169 HH12 ARG 19 2HH1 ARG 19 1.264 -4.753 8.202 170 HH21 ARG 19 1HH2 ARG 19 -1.476 -2.672 7.266 171 HH22 ARG 19 2HH2 ARG 19 -0.590 -3.278 8.590 172 H GLU 20 H GLU 20 4.388 -4.187 1.468 173 HA GLU 20 HA GLU 20 5.191 -1.757 2.612 174 HB2 GLU 20 2HB GLU 20 6.221 -3.979 3.016 175 HB3 GLU 20 1HB GLU 20 6.887 -3.929 1.396 176 HG2 GLU 20 2HG GLU 20 8.100 -1.886 2.018 177 HG3 GLU 20 1HG GLU 20 7.538 -2.105 3.678 178 H GLU 21 H GLU 21 5.568 -3.050 -0.697 179 HA GLU 21 HA GLU 21 7.194 -1.031 -1.753 180 HB2 GLU 21 2HB GLU 21 5.070 -2.662 -3.134 181 HB3 GLU 21 1HB GLU 21 6.103 -1.529 -3.977 182 HG2 GLU 21 2HG GLU 21 8.059 -2.857 -3.150 183 HG3 GLU 21 1HG GLU 21 6.902 -4.057 -2.569 184 H CYS 22 H CYS 22 3.656 -1.226 -1.649 185 HA CYS 22 HA CYS 22 3.386 1.303 -2.856 186 HB2 CYS 22 2HB CYS 22 1.536 -0.337 -2.914 187 HB3 CYS 22 1HB CYS 22 1.330 -0.141 -1.174 188 H LYS 23 H LYS 23 3.686 0.253 0.475 189 HA LYS 23 HA LYS 23 2.943 2.569 1.816 190 HB2 LYS 23 2HB LYS 23 3.451 0.488 2.982 191 HB3 LYS 23 1HB LYS 23 5.129 0.584 2.484 192 HG2 LYS 23 2HG LYS 23 4.903 1.202 4.814 193 HG3 LYS 23 1HG LYS 23 5.415 2.592 3.855 194 HD2 LYS 23 2HD LYS 23 3.073 3.379 3.803 195 HD3 LYS 23 1HD LYS 23 2.622 2.023 4.839 196 HE2 LYS 23 2HE LYS 23 2.906 4.048 6.155 197 HE3 LYS 23 1HE LYS 23 4.130 2.854 6.571 198 HZ1 LYS 23 1HZ LYS 23 5.738 4.049 5.258 199 HZ2 LYS 23 2HZ LYS 23 5.014 5.104 6.362 200 HZ3 LYS 23 3HZ LYS 23 4.551 5.144 4.740 201 H ARG 24 H ARG 24 5.841 1.918 0.034 202 HA ARG 24 HA ARG 24 7.253 4.292 0.921 203 HB2 ARG 24 2HB ARG 24 8.463 2.273 0.389 204 HB3 ARG 24 1HB ARG 24 7.815 2.265 -1.242 205 HG2 ARG 24 2HG ARG 24 9.061 4.338 -1.699 206 HG3 ARG 24 1HG ARG 24 9.728 4.271 -0.062 207 HD2 ARG 24 2HD ARG 24 10.727 2.112 -0.540 208 HD3 ARG 24 1HD ARG 24 10.035 2.129 -2.159 209 HE ARG 24 HE ARG 24 11.696 4.379 -1.559 210 HH11 ARG 24 1HH1 ARG 24 11.663 1.038 -2.741 211 HH12 ARG 24 2HH1 ARG 24 13.084 1.193 -3.662 212 HH21 ARG 24 1HH2 ARG 24 13.719 4.571 -2.805 213 HH22 ARG 24 2HH2 ARG 24 14.280 3.232 -3.679 214 H LYS 25 H LYS 25 5.116 3.364 -1.594 215 HA LYS 25 HA LYS 25 5.874 5.464 -3.449 216 HB2 LYS 25 2HB LYS 25 5.296 3.272 -4.307 217 HB3 LYS 25 1HB LYS 25 3.757 3.321 -3.471 218 HG2 LYS 25 2HG LYS 25 3.063 5.186 -4.923 219 HG3 LYS 25 1HG LYS 25 4.594 5.039 -5.794 220 HD2 LYS 25 2HD LYS 25 4.056 2.785 -6.452 221 HD3 LYS 25 1HD LYS 25 2.585 2.810 -5.481 222 HE2 LYS 25 2HE LYS 25 3.168 4.540 -7.883 223 HE3 LYS 25 1HE LYS 25 2.100 3.142 -7.849 224 HZ1 LYS 25 1HZ LYS 25 0.700 4.319 -6.252 225 HZ2 LYS 25 2HZ LYS 25 0.847 5.158 -7.691 226 HZ3 LYS 25 3HZ LYS 25 1.707 5.676 -6.342 227 H ALA 26 H ALA 26 3.280 4.604 -1.279 228 HA ALA 26 HA ALA 26 1.596 6.731 -2.113 229 HB1 ALA 26 1HB ALA 26 0.670 4.579 -1.468 230 HB2 ALA 26 2HB ALA 26 0.044 5.880 -0.452 231 HB3 ALA 26 3HB ALA 26 1.289 4.799 0.168 Start of MODEL 18 1 H HIS 1 H HIS 1 1.440 8.504 -1.518 2 HA HIS 1 HA HIS 1 2.665 8.909 1.108 3 HB2 HIS 1 2HB HIS 1 1.632 10.905 -0.932 4 HB3 HIS 1 1HB HIS 1 2.423 11.328 0.574 5 HD1 HIS 1 1HD HIS 1 4.856 11.817 0.329 6 HD2 HIS 1 2HD HIS 1 3.447 9.362 -2.709 7 HE1 HIS 1 1HE HIS 1 6.771 11.555 -1.290 8 H ASP 2 H ASP 2 -0.319 9.131 -0.583 9 HA ASP 2 HA ASP 2 -1.776 10.555 1.428 10 HB2 ASP 2 2HB ASP 2 -2.792 9.047 -1.003 11 HB3 ASP 2 1HB ASP 2 -3.745 10.126 -0.000 12 HA PRO 3 HA PRO 3 -2.660 7.170 4.061 13 HB2 PRO 3 2HB PRO 3 -5.067 7.988 5.094 14 HB3 PRO 3 1HB PRO 3 -3.505 8.626 5.616 15 HG2 PRO 3 2HG PRO 3 -5.471 9.778 3.682 16 HG3 PRO 3 1HG PRO 3 -4.529 10.601 4.936 17 HD2 PRO 3 2HD PRO 3 -3.818 10.691 2.349 18 HD3 PRO 3 1HD PRO 3 -2.603 10.631 3.638 19 H GLU 4 H GLU 4 -5.381 8.278 2.088 20 HA GLU 4 HA GLU 4 -6.791 5.824 2.290 21 HB2 GLU 4 2HB GLU 4 -7.111 8.118 0.352 22 HB3 GLU 4 1HB GLU 4 -8.257 6.797 0.553 23 HG2 GLU 4 2HG GLU 4 -8.727 7.436 2.806 24 HG3 GLU 4 1HG GLU 4 -7.434 8.627 2.790 25 H LYS 5 H LYS 5 -4.337 7.018 0.183 26 HA LYS 5 HA LYS 5 -4.681 4.955 -1.795 27 HB2 LYS 5 2HB LYS 5 -2.470 6.935 -1.284 28 HB3 LYS 5 1HB LYS 5 -2.357 5.702 -2.525 29 HG2 LYS 5 2HG LYS 5 -4.500 7.810 -2.393 30 HG3 LYS 5 1HG LYS 5 -3.049 7.906 -3.393 31 HD2 LYS 5 2HD LYS 5 -3.758 5.754 -4.472 32 HD3 LYS 5 1HD LYS 5 -5.274 5.875 -3.582 33 HE2 LYS 5 2HE LYS 5 -5.587 6.733 -5.821 34 HE3 LYS 5 1HE LYS 5 -5.701 8.044 -4.655 35 HZ1 LYS 5 1HZ LYS 5 -4.389 8.567 -6.669 36 HZ2 LYS 5 2HZ LYS 5 -3.233 7.450 -6.196 37 HZ3 LYS 5 3HZ LYS 5 -3.533 8.802 -5.245 38 H ARG 6 H ARG 6 -2.674 5.506 1.004 39 HA ARG 6 HA ARG 6 -1.101 3.173 0.725 40 HB2 ARG 6 2HB ARG 6 -0.499 5.173 2.079 41 HB3 ARG 6 1HB ARG 6 -1.773 4.757 3.210 42 HG2 ARG 6 2HG ARG 6 -0.621 2.757 3.847 43 HG3 ARG 6 1HG ARG 6 0.587 3.012 2.589 44 HD2 ARG 6 2HD ARG 6 0.078 4.875 4.904 45 HD3 ARG 6 1HD ARG 6 1.404 3.715 4.800 46 HE ARG 6 HE ARG 6 1.697 5.159 2.547 47 HH11 ARG 6 1HH1 ARG 6 1.412 6.111 5.932 48 HH12 ARG 6 2HH1 ARG 6 2.397 7.484 5.768 49 HH21 ARG 6 1HH2 ARG 6 2.958 7.027 2.302 50 HH22 ARG 6 2HH2 ARG 6 3.290 8.055 3.627 51 H LYS 7 H LYS 7 -4.080 3.936 2.422 52 HA LYS 7 HA LYS 7 -4.732 1.471 3.615 53 HB2 LYS 7 2HB LYS 7 -6.031 3.607 3.892 54 HB3 LYS 7 1HB LYS 7 -6.533 3.423 2.213 55 HG2 LYS 7 2HG LYS 7 -7.693 1.349 2.774 56 HG3 LYS 7 1HG LYS 7 -7.245 1.566 4.467 57 HD2 LYS 7 2HD LYS 7 -8.460 3.668 4.535 58 HD3 LYS 7 1HD LYS 7 -8.881 3.496 2.832 59 HE2 LYS 7 2HE LYS 7 -10.117 1.450 3.345 60 HE3 LYS 7 1HE LYS 7 -9.695 1.617 5.047 61 HZ1 LYS 7 1HZ LYS 7 -10.919 3.723 5.083 62 HZ2 LYS 7 2HZ LYS 7 -11.907 2.437 4.596 63 HZ3 LYS 7 3HZ LYS 7 -11.321 3.519 3.459 64 H GLU 8 H GLU 8 -5.423 2.762 0.421 65 HA GLU 8 HA GLU 8 -6.756 0.612 -0.592 66 HB2 GLU 8 2HB GLU 8 -6.676 2.803 -1.646 67 HB3 GLU 8 1HB GLU 8 -4.978 2.575 -2.022 68 HG2 GLU 8 2HG GLU 8 -5.563 0.721 -3.498 69 HG3 GLU 8 1HG GLU 8 -7.269 0.976 -3.127 70 H CYS 9 H CYS 9 -3.272 1.302 -0.547 71 HA CYS 9 HA CYS 9 -2.371 -0.924 -2.002 72 HB2 CYS 9 2HB CYS 9 -0.994 0.463 0.300 73 HB3 CYS 9 1HB CYS 9 -0.255 -0.676 -0.795 74 H GLU 10 H GLU 10 -2.994 -0.538 1.466 75 HA GLU 10 HA GLU 10 -2.095 -3.134 2.162 76 HB2 GLU 10 2HB GLU 10 -2.149 -1.287 3.767 77 HB3 GLU 10 1HB GLU 10 -3.896 -1.210 3.646 78 HG2 GLU 10 2HG GLU 10 -4.138 -3.309 4.735 79 HG3 GLU 10 1HG GLU 10 -2.411 -3.623 4.674 80 H LYS 11 H LYS 11 -5.107 -1.874 1.097 81 HA LYS 11 HA LYS 11 -6.581 -4.275 1.657 82 HB2 LYS 11 2HB LYS 11 -7.626 -2.025 1.558 83 HB3 LYS 11 1HB LYS 11 -7.274 -1.957 -0.156 84 HG2 LYS 11 2HG LYS 11 -9.578 -2.515 0.141 85 HG3 LYS 11 1HG LYS 11 -8.733 -3.931 -0.484 86 HD2 LYS 11 2HD LYS 11 -8.653 -4.894 1.756 87 HD3 LYS 11 1HD LYS 11 -9.436 -3.457 2.417 88 HE2 LYS 11 2HE LYS 11 -10.638 -5.373 0.411 89 HE3 LYS 11 1HE LYS 11 -11.026 -5.289 2.125 90 HZ1 LYS 11 1HZ LYS 11 -12.660 -4.145 0.765 91 HZ2 LYS 11 2HZ LYS 11 -11.482 -3.102 0.163 92 HZ3 LYS 11 3HZ LYS 11 -11.884 -3.073 1.797 93 H LYS 12 H LYS 12 -4.967 -2.835 -1.117 94 HA LYS 12 HA LYS 12 -5.883 -4.599 -3.139 95 HB2 LYS 12 2HB LYS 12 -4.900 -2.280 -3.463 96 HB3 LYS 12 1HB LYS 12 -3.337 -2.973 -3.109 97 HG2 LYS 12 2HG LYS 12 -3.480 -2.804 -5.464 98 HG3 LYS 12 1HG LYS 12 -3.660 -4.511 -5.070 99 HD2 LYS 12 2HD LYS 12 -5.269 -3.955 -6.760 100 HD3 LYS 12 1HD LYS 12 -6.143 -4.219 -5.252 101 HE2 LYS 12 2HE LYS 12 -6.211 -1.742 -4.918 102 HE3 LYS 12 1HE LYS 12 -5.402 -1.549 -6.465 103 HZ1 LYS 12 1HZ LYS 12 -7.310 -2.592 -7.548 104 HZ2 LYS 12 2HZ LYS 12 -7.790 -1.248 -6.655 105 HZ3 LYS 12 3HZ LYS 12 -8.075 -2.785 -6.063 106 H TYR 13 H TYR 13 -2.906 -4.440 -1.227 107 HA TYR 13 HA TYR 13 -2.095 -6.972 -2.416 108 HB2 TYR 13 2HB TYR 13 -0.451 -4.897 -0.982 109 HB3 TYR 13 1HB TYR 13 0.165 -6.425 -1.594 110 HD1 TYR 13 1HD TYR 13 0.133 -6.834 -4.068 111 HD2 TYR 13 2HD TYR 13 -0.683 -3.026 -2.385 112 HE1 TYR 13 1HE TYR 13 0.591 -5.800 -6.230 113 HE2 TYR 13 2HE TYR 13 -0.226 -1.966 -4.541 114 HH TYR 13 HH TYR 13 0.103 -3.809 -7.425 115 H THR 14 H THR 14 -2.267 -8.709 -1.256 116 HA THR 14 HA THR 14 -2.472 -8.507 1.616 117 HB THR 14 HB THR 14 -2.905 -11.025 1.335 118 HG1 THR 14 1HG THR 14 -3.740 -11.399 -0.882 119 HG21 THR 14 1HG2 THR 14 -4.792 -9.031 0.071 120 HG22 THR 14 2HG2 THR 14 -4.677 -9.390 1.794 121 HG23 THR 14 3HG2 THR 14 -5.236 -10.628 0.670 122 H ASP 15 H ASP 15 -0.312 -9.249 -0.919 123 HA ASP 15 HA ASP 15 1.574 -10.750 0.605 124 HB2 ASP 15 2HB ASP 15 1.632 -10.888 -1.841 125 HB3 ASP 15 1HB ASP 15 1.897 -9.150 -1.951 126 HA PRO 16 HA PRO 16 2.587 -7.158 2.994 127 HB2 PRO 16 2HB PRO 16 4.740 -8.274 4.314 128 HB3 PRO 16 1HB PRO 16 3.055 -8.435 4.805 129 HG2 PRO 16 2HG PRO 16 4.775 -10.348 3.296 130 HG3 PRO 16 1HG PRO 16 3.537 -10.673 4.519 131 HD2 PRO 16 2HD PRO 16 3.114 -11.025 1.884 132 HD3 PRO 16 1HD PRO 16 1.821 -10.537 2.992 133 H LYS 17 H LYS 17 4.851 -8.734 0.852 134 HA LYS 17 HA LYS 17 6.873 -6.721 1.199 135 HB2 LYS 17 2HB LYS 17 6.543 -8.878 -0.876 136 HB3 LYS 17 1HB LYS 17 7.959 -7.835 -0.752 137 HG2 LYS 17 2HG LYS 17 8.455 -8.726 1.433 138 HG3 LYS 17 1HG LYS 17 6.973 -9.682 1.399 139 HD2 LYS 17 2HD LYS 17 7.825 -10.945 -0.505 140 HD3 LYS 17 1HD LYS 17 9.303 -9.978 -0.490 141 HE2 LYS 17 2HE LYS 17 9.599 -12.159 0.621 142 HE3 LYS 17 1HE LYS 17 9.860 -10.805 1.717 143 HZ1 LYS 17 1HZ LYS 17 7.357 -12.385 1.517 144 HZ2 LYS 17 2HZ LYS 17 7.651 -11.140 2.616 145 HZ3 LYS 17 3HZ LYS 17 8.526 -12.578 2.716 146 H LYS 18 H LYS 18 4.586 -7.560 -1.369 147 HA LYS 18 HA LYS 18 5.062 -5.307 -3.023 148 HB2 LYS 18 2HB LYS 18 2.524 -6.908 -2.655 149 HB3 LYS 18 1HB LYS 18 2.817 -5.777 -3.961 150 HG2 LYS 18 2HG LYS 18 4.555 -7.187 -4.851 151 HG3 LYS 18 1HG LYS 18 4.421 -8.257 -3.449 152 HD2 LYS 18 2HD LYS 18 2.106 -8.779 -4.072 153 HD3 LYS 18 1HD LYS 18 2.257 -7.729 -5.478 154 HE2 LYS 18 2HE LYS 18 3.964 -10.165 -4.972 155 HE3 LYS 18 1HE LYS 18 2.524 -10.151 -5.986 156 HZ1 LYS 18 1HZ LYS 18 4.501 -9.922 -7.314 157 HZ2 LYS 18 2HZ LYS 18 4.994 -8.560 -6.465 158 HZ3 LYS 18 3HZ LYS 18 3.605 -8.510 -7.402 159 H ARG 19 H ARG 19 2.914 -5.922 -0.350 160 HA ARG 19 HA ARG 19 1.396 -3.559 -0.335 161 HB2 ARG 19 2HB ARG 19 0.956 -5.636 0.993 162 HB3 ARG 19 1HB ARG 19 2.294 -5.186 2.037 163 HG2 ARG 19 2HG ARG 19 1.136 -3.148 2.651 164 HG3 ARG 19 1HG ARG 19 -0.209 -3.599 1.601 165 HD2 ARG 19 2HD ARG 19 -0.784 -4.203 3.844 166 HD3 ARG 19 1HD ARG 19 -0.460 -5.681 2.936 167 HE ARG 19 HE ARG 19 1.888 -4.857 4.232 168 HH11 ARG 19 1HH1 ARG 19 -1.273 -6.297 5.035 169 HH12 ARG 19 2HH1 ARG 19 -0.708 -6.985 6.488 170 HH21 ARG 19 1HH2 ARG 19 2.604 -5.804 6.228 171 HH22 ARG 19 2HH2 ARG 19 1.527 -6.722 7.164 172 H GLU 20 H GLU 20 4.418 -4.403 1.350 173 HA GLU 20 HA GLU 20 4.909 -2.012 2.678 174 HB2 GLU 20 2HB GLU 20 6.148 -4.078 3.084 175 HB3 GLU 20 1HB GLU 20 6.816 -4.025 1.469 176 HG2 GLU 20 2HG GLU 20 8.470 -3.383 3.104 177 HG3 GLU 20 1HG GLU 20 8.081 -2.024 2.055 178 H GLU 21 H GLU 21 5.897 -3.067 -0.556 179 HA GLU 21 HA GLU 21 7.334 -0.788 -1.335 180 HB2 GLU 21 2HB GLU 21 5.647 -2.609 -3.013 181 HB3 GLU 21 1HB GLU 21 6.790 -1.441 -3.646 182 HG2 GLU 21 2HG GLU 21 8.607 -2.691 -2.545 183 HG3 GLU 21 1HG GLU 21 7.413 -3.850 -1.947 184 H CYS 22 H CYS 22 3.903 -1.530 -1.634 185 HA CYS 22 HA CYS 22 3.413 0.856 -3.061 186 HB2 CYS 22 2HB CYS 22 2.039 -1.228 -3.233 187 HB3 CYS 22 1HB CYS 22 1.388 -0.886 -1.644 188 H LYS 23 H LYS 23 3.226 -0.114 0.337 189 HA LYS 23 HA LYS 23 1.931 2.140 1.401 190 HB2 LYS 23 2HB LYS 23 3.870 0.172 2.589 191 HB3 LYS 23 1HB LYS 23 3.320 1.552 3.516 192 HG2 LYS 23 2HG LYS 23 1.045 0.753 3.450 193 HG3 LYS 23 1HG LYS 23 1.499 -0.553 2.345 194 HD2 LYS 23 2HD LYS 23 2.868 -1.589 4.018 195 HD3 LYS 23 1HD LYS 23 2.691 -0.217 5.101 196 HE2 LYS 23 2HE LYS 23 0.374 -1.930 4.210 197 HE3 LYS 23 1HE LYS 23 1.312 -2.286 5.651 198 HZ1 LYS 23 1HZ LYS 23 0.649 -0.109 6.533 199 HZ2 LYS 23 2HZ LYS 23 -0.674 -1.078 6.212 200 HZ3 LYS 23 3HZ LYS 23 -0.299 0.191 5.181 201 H ARG 24 H ARG 24 5.281 1.560 0.607 202 HA ARG 24 HA ARG 24 6.089 4.138 1.650 203 HB2 ARG 24 2HB ARG 24 8.360 3.503 0.990 204 HB3 ARG 24 1HB ARG 24 7.583 2.204 1.882 205 HG2 ARG 24 2HG ARG 24 7.143 1.033 -0.196 206 HG3 ARG 24 1HG ARG 24 7.952 2.323 -1.087 207 HD2 ARG 24 2HD ARG 24 9.233 0.646 1.062 208 HD3 ARG 24 1HD ARG 24 9.401 0.355 -0.667 209 HE ARG 24 HE ARG 24 10.172 2.924 -0.392 210 HH11 ARG 24 1HH1 ARG 24 11.132 0.051 1.391 211 HH12 ARG 24 2HH1 ARG 24 12.768 0.470 1.521 212 HH21 ARG 24 1HH2 ARG 24 12.420 3.542 -0.238 213 HH22 ARG 24 2HH2 ARG 24 13.536 2.541 0.561 214 H LYS 25 H LYS 25 4.556 3.190 -1.073 215 HA LYS 25 HA LYS 25 5.893 5.140 -2.770 216 HB2 LYS 25 2HB LYS 25 5.477 3.010 -3.872 217 HB3 LYS 25 1HB LYS 25 3.784 3.059 -3.404 218 HG2 LYS 25 2HG LYS 25 4.058 3.607 -5.762 219 HG3 LYS 25 1HG LYS 25 3.420 4.983 -4.865 220 HD2 LYS 25 2HD LYS 25 5.764 5.871 -4.737 221 HD3 LYS 25 1HD LYS 25 6.251 4.570 -5.825 222 HE2 LYS 25 2HE LYS 25 4.196 6.690 -6.403 223 HE3 LYS 25 1HE LYS 25 5.845 6.680 -7.017 224 HZ1 LYS 25 1HZ LYS 25 4.277 5.878 -8.633 225 HZ2 LYS 25 2HZ LYS 25 3.762 4.647 -7.616 226 HZ3 LYS 25 3HZ LYS 25 5.349 4.653 -8.209 227 H ALA 26 H ALA 26 2.724 4.267 -1.529 228 HA ALA 26 HA ALA 26 1.477 6.646 -2.455 229 HB1 ALA 26 1HB ALA 26 0.233 4.566 -2.177 230 HB2 ALA 26 2HB ALA 26 -0.446 5.850 -1.175 231 HB3 ALA 26 3HB ALA 26 0.558 4.599 -0.445 Start of MODEL 19 1 H HIS 1 H HIS 1 0.680 7.890 -2.563 2 HA HIS 1 HA HIS 1 2.328 9.436 -0.663 3 HB2 HIS 1 2HB HIS 1 1.060 10.361 -3.249 4 HB3 HIS 1 1HB HIS 1 1.757 11.455 -2.069 5 HD1 HIS 1 1HD HIS 1 3.923 12.261 -3.051 6 HD2 HIS 1 2HD HIS 1 3.312 8.209 -3.719 7 HE1 HIS 1 1HE HIS 1 5.961 11.436 -4.280 8 H ASP 2 H ASP 2 -0.711 8.245 -1.263 9 HA ASP 2 HA ASP 2 -2.157 10.436 -0.037 10 HB2 ASP 2 2HB ASP 2 -3.107 7.682 -0.884 11 HB3 ASP 2 1HB ASP 2 -4.142 8.920 -0.213 12 HA PRO 3 HA PRO 3 -1.955 8.691 4.121 13 HB2 PRO 3 2HB PRO 3 -4.692 9.670 4.577 14 HB3 PRO 3 1HB PRO 3 -3.196 10.171 5.365 15 HG2 PRO 3 2HG PRO 3 -4.517 11.763 3.647 16 HG3 PRO 3 1HG PRO 3 -2.752 11.788 3.787 17 HD2 PRO 3 2HD PRO 3 -4.476 10.499 1.702 18 HD3 PRO 3 1HD PRO 3 -2.938 11.376 1.525 19 H GLU 4 H GLU 4 -4.438 8.161 1.893 20 HA GLU 4 HA GLU 4 -5.876 6.110 3.240 21 HB2 GLU 4 2HB GLU 4 -5.879 6.939 0.338 22 HB3 GLU 4 1HB GLU 4 -7.042 5.846 1.081 23 HG2 GLU 4 2HG GLU 4 -7.754 7.641 2.590 24 HG3 GLU 4 1HG GLU 4 -6.611 8.733 1.815 25 H LYS 5 H LYS 5 -2.877 6.118 2.110 26 HA LYS 5 HA LYS 5 -2.489 3.935 0.460 27 HB2 LYS 5 2HB LYS 5 -0.145 3.960 1.156 28 HB3 LYS 5 1HB LYS 5 -0.759 5.574 1.005 29 HG2 LYS 5 2HG LYS 5 -0.824 5.962 3.309 30 HG3 LYS 5 1HG LYS 5 -0.669 4.250 3.691 31 HD2 LYS 5 2HD LYS 5 1.421 5.415 4.134 32 HD3 LYS 5 1HD LYS 5 1.631 4.269 2.818 33 HE2 LYS 5 2HE LYS 5 2.797 6.324 2.304 34 HE3 LYS 5 1HE LYS 5 1.431 6.151 1.210 35 HZ1 LYS 5 1HZ LYS 5 0.204 7.756 2.519 36 HZ2 LYS 5 2HZ LYS 5 1.704 8.427 2.127 37 HZ3 LYS 5 3HZ LYS 5 1.442 7.838 3.651 38 H ARG 6 H ARG 6 -3.152 3.966 3.891 39 HA ARG 6 HA ARG 6 -2.285 1.356 4.526 40 HB2 ARG 6 2HB ARG 6 -4.553 2.994 5.681 41 HB3 ARG 6 1HB ARG 6 -3.998 1.477 6.356 42 HG2 ARG 6 2HG ARG 6 -2.244 3.890 6.030 43 HG3 ARG 6 1HG ARG 6 -3.163 3.540 7.493 44 HD2 ARG 6 2HD ARG 6 -1.988 1.381 7.673 45 HD3 ARG 6 1HD ARG 6 -1.043 1.795 6.245 46 HE ARG 6 HE ARG 6 -0.557 3.874 7.819 47 HH11 ARG 6 1HH1 ARG 6 -0.446 0.394 8.520 48 HH12 ARG 6 2HH1 ARG 6 0.798 0.555 9.678 49 HH21 ARG 6 1HH2 ARG 6 1.153 4.030 9.453 50 HH22 ARG 6 2HH2 ARG 6 1.705 2.595 10.199 51 H LYS 7 H LYS 7 -5.515 2.553 3.796 52 HA LYS 7 HA LYS 7 -6.773 0.057 3.582 53 HB2 LYS 7 2HB LYS 7 -7.929 2.244 3.991 54 HB3 LYS 7 1HB LYS 7 -7.531 2.683 2.331 55 HG2 LYS 7 2HG LYS 7 -9.792 2.012 2.365 56 HG3 LYS 7 1HG LYS 7 -8.869 0.735 1.572 57 HD2 LYS 7 2HD LYS 7 -8.852 -0.498 3.745 58 HD3 LYS 7 1HD LYS 7 -9.904 0.752 4.400 59 HE2 LYS 7 2HE LYS 7 -10.531 -1.039 2.058 60 HE3 LYS 7 1HE LYS 7 -11.205 -1.176 3.677 61 HZ1 LYS 7 1HZ LYS 7 -12.218 1.029 3.361 62 HZ2 LYS 7 2HZ LYS 7 -12.752 -0.089 2.252 63 HZ3 LYS 7 3HZ LYS 7 -11.638 1.076 1.771 64 H GLU 8 H GLU 8 -5.786 2.339 1.080 65 HA GLU 8 HA GLU 8 -6.628 0.619 -0.929 66 HB2 GLU 8 2HB GLU 8 -5.123 3.175 -0.974 67 HB3 GLU 8 1HB GLU 8 -5.346 2.241 -2.452 68 HG2 GLU 8 2HG GLU 8 -7.560 3.171 -0.644 69 HG3 GLU 8 1HG GLU 8 -7.087 3.945 -2.160 70 H CYS 9 H CYS 9 -3.493 0.881 0.594 71 HA CYS 9 HA CYS 9 -2.426 -0.692 -1.560 72 HB2 CYS 9 2HB CYS 9 -1.111 0.212 0.989 73 HB3 CYS 9 1HB CYS 9 -0.318 -0.869 -0.159 74 H GLU 10 H GLU 10 -3.795 -1.287 1.614 75 HA GLU 10 HA GLU 10 -3.100 -4.043 1.599 76 HB2 GLU 10 2HB GLU 10 -3.862 -2.896 3.608 77 HB3 GLU 10 1HB GLU 10 -5.415 -2.570 2.867 78 HG2 GLU 10 2HG GLU 10 -5.890 -4.970 2.832 79 HG3 GLU 10 1HG GLU 10 -4.321 -5.282 3.576 80 H LYS 11 H LYS 11 -5.683 -2.160 0.221 81 HA LYS 11 HA LYS 11 -7.395 -4.167 -0.781 82 HB2 LYS 11 2HB LYS 11 -6.748 -1.408 -1.826 83 HB3 LYS 11 1HB LYS 11 -7.999 -2.421 -2.515 84 HG2 LYS 11 2HG LYS 11 -8.031 -1.733 0.396 85 HG3 LYS 11 1HG LYS 11 -8.624 -0.588 -0.800 86 HD2 LYS 11 2HD LYS 11 -9.612 -3.429 -0.622 87 HD3 LYS 11 1HD LYS 11 -10.368 -2.091 0.247 88 HE2 LYS 11 2HE LYS 11 -10.020 -2.271 -2.756 89 HE3 LYS 11 1HE LYS 11 -11.515 -2.538 -1.867 90 HZ1 LYS 11 1HZ LYS 11 -10.023 0.065 -1.930 91 HZ2 LYS 11 2HZ LYS 11 -11.468 -0.246 -1.127 92 HZ3 LYS 11 3HZ LYS 11 -11.418 -0.311 -2.793 93 H LYS 12 H LYS 12 -4.655 -2.507 -2.279 94 HA LYS 12 HA LYS 12 -4.821 -4.090 -4.661 95 HB2 LYS 12 2HB LYS 12 -4.090 -1.737 -4.700 96 HB3 LYS 12 1HB LYS 12 -2.694 -2.151 -3.729 97 HG2 LYS 12 2HG LYS 12 -2.095 -1.837 -6.070 98 HG3 LYS 12 1HG LYS 12 -1.804 -3.499 -5.562 99 HD2 LYS 12 2HD LYS 12 -3.819 -4.228 -6.648 100 HD3 LYS 12 1HD LYS 12 -4.258 -2.566 -7.046 101 HE2 LYS 12 2HE LYS 12 -3.327 -3.732 -8.990 102 HE3 LYS 12 1HE LYS 12 -2.300 -2.390 -8.501 103 HZ1 LYS 12 1HZ LYS 12 -1.065 -4.392 -9.077 104 HZ2 LYS 12 2HZ LYS 12 -1.781 -5.259 -7.844 105 HZ3 LYS 12 3HZ LYS 12 -0.761 -3.941 -7.498 106 H TYR 13 H TYR 13 -2.746 -4.092 -1.752 107 HA TYR 13 HA TYR 13 -1.663 -6.646 -2.660 108 HB2 TYR 13 2HB TYR 13 -0.069 -4.470 -1.316 109 HB3 TYR 13 1HB TYR 13 0.521 -6.054 -1.788 110 HD1 TYR 13 1HD TYR 13 0.141 -2.691 -2.731 111 HD2 TYR 13 2HD TYR 13 0.395 -6.612 -4.323 112 HE1 TYR 13 1HE TYR 13 0.747 -1.758 -4.898 113 HE2 TYR 13 2HE TYR 13 1.017 -5.698 -6.503 114 HH TYR 13 HH TYR 13 1.900 -2.468 -6.930 115 H THR 14 H THR 14 -2.556 -8.006 -1.264 116 HA THR 14 HA THR 14 -2.777 -7.355 1.540 117 HB THR 14 HB THR 14 -3.135 -10.051 0.197 118 HG1 THR 14 1HG THR 14 -4.489 -7.698 -0.053 119 HG21 THR 14 1HG2 THR 14 -4.428 -8.770 2.619 120 HG22 THR 14 2HG2 THR 14 -3.159 -9.994 2.673 121 HG23 THR 14 3HG2 THR 14 -4.745 -10.396 2.011 122 H ASP 15 H ASP 15 -0.618 -8.616 -0.649 123 HA ASP 15 HA ASP 15 1.166 -10.270 0.765 124 HB2 ASP 15 2HB ASP 15 0.978 -9.898 -1.667 125 HB3 ASP 15 1HB ASP 15 1.655 -8.296 -1.451 126 HA PRO 16 HA PRO 16 2.543 -6.971 3.538 127 HB2 PRO 16 2HB PRO 16 4.725 -8.254 4.588 128 HB3 PRO 16 1HB PRO 16 3.067 -8.550 5.111 129 HG2 PRO 16 2HG PRO 16 4.734 -10.095 3.164 130 HG3 PRO 16 1HG PRO 16 3.697 -10.698 4.469 131 HD2 PRO 16 2HD PRO 16 2.878 -10.712 1.924 132 HD3 PRO 16 1HD PRO 16 1.746 -10.340 3.245 133 H LYS 17 H LYS 17 4.750 -8.542 1.308 134 HA LYS 17 HA LYS 17 6.865 -6.634 1.611 135 HB2 LYS 17 2HB LYS 17 6.316 -8.784 -0.420 136 HB3 LYS 17 1HB LYS 17 7.781 -7.814 -0.392 137 HG2 LYS 17 2HG LYS 17 8.496 -8.756 1.644 138 HG3 LYS 17 1HG LYS 17 6.904 -9.445 1.969 139 HD2 LYS 17 2HD LYS 17 8.566 -11.118 1.247 140 HD3 LYS 17 1HD LYS 17 7.176 -11.033 0.176 141 HE2 LYS 17 2HE LYS 17 8.532 -9.605 -1.356 142 HE3 LYS 17 1HE LYS 17 9.916 -9.843 -0.287 143 HZ1 LYS 17 1HZ LYS 17 8.432 -11.994 -1.680 144 HZ2 LYS 17 2HZ LYS 17 9.791 -12.206 -0.704 145 HZ3 LYS 17 3HZ LYS 17 9.932 -11.388 -2.158 146 H LYS 18 H LYS 18 4.493 -7.391 -0.879 147 HA LYS 18 HA LYS 18 5.148 -5.204 -2.566 148 HB2 LYS 18 2HB LYS 18 2.584 -6.779 -2.369 149 HB3 LYS 18 1HB LYS 18 2.997 -5.686 -3.671 150 HG2 LYS 18 2HG LYS 18 4.805 -7.126 -4.370 151 HG3 LYS 18 1HG LYS 18 4.528 -8.191 -2.986 152 HD2 LYS 18 2HD LYS 18 2.259 -8.652 -3.817 153 HD3 LYS 18 1HD LYS 18 2.570 -7.625 -5.213 154 HE2 LYS 18 2HE LYS 18 2.810 -9.999 -5.747 155 HE3 LYS 18 1HE LYS 18 4.329 -9.132 -5.953 156 HZ1 LYS 18 1HZ LYS 18 5.157 -10.065 -3.945 157 HZ2 LYS 18 2HZ LYS 18 4.491 -11.348 -4.811 158 HZ3 LYS 18 3HZ LYS 18 3.674 -10.707 -3.500 159 H ARG 19 H ARG 19 2.860 -5.638 0.072 160 HA ARG 19 HA ARG 19 1.487 -3.196 -0.228 161 HB2 ARG 19 2HB ARG 19 0.690 -5.051 1.206 162 HB3 ARG 19 1HB ARG 19 2.020 -4.746 2.311 163 HG2 ARG 19 2HG ARG 19 1.127 -2.523 2.769 164 HG3 ARG 19 1HG ARG 19 -0.213 -2.842 1.665 165 HD2 ARG 19 2HD ARG 19 -0.891 -4.737 3.056 166 HD3 ARG 19 1HD ARG 19 0.426 -4.380 4.175 167 HE ARG 19 HE ARG 19 -1.068 -2.084 3.816 168 HH11 ARG 19 1HH1 ARG 19 -1.430 -5.265 5.306 169 HH12 ARG 19 2HH1 ARG 19 -2.620 -4.756 6.427 170 HH21 ARG 19 1HH2 ARG 19 -2.711 -1.414 5.303 171 HH22 ARG 19 2HH2 ARG 19 -3.356 -2.523 6.424 172 H GLU 20 H GLU 20 4.388 -4.119 1.552 173 HA GLU 20 HA GLU 20 4.863 -1.619 2.733 174 HB2 GLU 20 2HB GLU 20 5.887 -3.723 3.459 175 HB3 GLU 20 1HB GLU 20 6.792 -3.797 1.961 176 HG2 GLU 20 2HG GLU 20 8.008 -1.795 2.577 177 HG3 GLU 20 1HG GLU 20 7.069 -1.676 4.068 178 H GLU 21 H GLU 21 5.791 -2.996 -0.392 179 HA GLU 21 HA GLU 21 7.396 -0.849 -1.275 180 HB2 GLU 21 2HB GLU 21 5.615 -2.691 -2.830 181 HB3 GLU 21 1HB GLU 21 6.721 -1.551 -3.566 182 HG2 GLU 21 2HG GLU 21 8.572 -2.771 -2.371 183 HG3 GLU 21 1HG GLU 21 7.367 -3.973 -1.898 184 H CYS 22 H CYS 22 3.968 -1.548 -1.661 185 HA CYS 22 HA CYS 22 3.292 0.708 -3.100 186 HB2 CYS 22 2HB CYS 22 1.823 -1.270 -2.809 187 HB3 CYS 22 1HB CYS 22 1.535 -0.792 -1.144 188 H LYS 23 H LYS 23 3.361 0.114 0.369 189 HA LYS 23 HA LYS 23 2.396 2.385 1.546 190 HB2 LYS 23 2HB LYS 23 3.115 0.485 2.803 191 HB3 LYS 23 1HB LYS 23 4.748 0.623 2.193 192 HG2 LYS 23 2HG LYS 23 5.009 2.709 3.490 193 HG3 LYS 23 1HG LYS 23 3.389 2.453 4.154 194 HD2 LYS 23 2HD LYS 23 4.086 0.323 5.106 195 HD3 LYS 23 1HD LYS 23 5.681 0.498 4.382 196 HE2 LYS 23 2HE LYS 23 6.075 2.489 5.754 197 HE3 LYS 23 1HE LYS 23 4.484 2.301 6.486 198 HZ1 LYS 23 1HZ LYS 23 5.189 0.157 7.357 199 HZ2 LYS 23 2HZ LYS 23 6.225 1.356 7.901 200 HZ3 LYS 23 3HZ LYS 23 6.702 0.335 6.651 201 H ARG 24 H ARG 24 5.509 1.893 0.040 202 HA ARG 24 HA ARG 24 6.502 4.520 0.790 203 HB2 ARG 24 2HB ARG 24 7.746 2.304 -0.825 204 HB3 ARG 24 1HB ARG 24 8.560 3.765 -0.287 205 HG2 ARG 24 2HG ARG 24 8.307 3.104 2.024 206 HG3 ARG 24 1HG ARG 24 7.372 1.689 1.539 207 HD2 ARG 24 2HD ARG 24 9.678 1.083 2.037 208 HD3 ARG 24 1HD ARG 24 9.307 0.823 0.334 209 HE ARG 24 HE ARG 24 10.372 3.388 0.685 210 HH11 ARG 24 1HH1 ARG 24 11.372 -0.008 0.534 211 HH12 ARG 24 2HH1 ARG 24 13.011 0.337 0.246 212 HH21 ARG 24 1HH2 ARG 24 12.587 3.858 0.206 213 HH22 ARG 24 2HH2 ARG 24 13.733 2.606 0.028 214 H LYS 25 H LYS 25 4.882 3.051 -1.810 215 HA LYS 25 HA LYS 25 5.905 4.918 -3.819 216 HB2 LYS 25 2HB LYS 25 5.720 2.455 -4.289 217 HB3 LYS 25 1HB LYS 25 3.992 2.585 -4.072 218 HG2 LYS 25 2HG LYS 25 4.523 2.500 -6.424 219 HG3 LYS 25 1HG LYS 25 3.858 4.076 -6.007 220 HD2 LYS 25 2HD LYS 25 5.740 4.291 -7.542 221 HD3 LYS 25 1HD LYS 25 6.122 5.031 -5.987 222 HE2 LYS 25 2HE LYS 25 8.027 3.791 -6.820 223 HE3 LYS 25 1HE LYS 25 7.387 2.990 -5.392 224 HZ1 LYS 25 1HZ LYS 25 6.943 2.170 -8.215 225 HZ2 LYS 25 2HZ LYS 25 6.239 1.412 -6.898 226 HZ3 LYS 25 3HZ LYS 25 7.917 1.392 -7.086 227 H ALA 26 H ALA 26 3.368 4.465 -1.677 228 HA ALA 26 HA ALA 26 1.403 5.971 -3.148 229 HB1 ALA 26 1HB ALA 26 1.348 4.708 -0.422 230 HB2 ALA 26 2HB ALA 26 0.679 4.028 -1.906 231 HB3 ALA 26 3HB ALA 26 -0.025 5.484 -1.201 Start of MODEL 20 1 H HIS 1 H HIS 1 1.126 8.421 -2.557 2 HA HIS 1 HA HIS 1 2.622 9.289 -0.186 3 HB2 HIS 1 2HB HIS 1 1.919 10.869 -2.649 4 HB3 HIS 1 1HB HIS 1 2.367 11.644 -1.135 5 HD1 HIS 1 1HD HIS 1 4.804 12.108 -0.896 6 HD2 HIS 1 2HD HIS 1 4.061 9.018 -3.572 7 HE1 HIS 1 1HE HIS 1 7.035 11.487 -1.869 8 H ASP 2 H ASP 2 -0.429 8.764 -1.470 9 HA ASP 2 HA ASP 2 -1.767 10.708 0.190 10 HB2 ASP 2 2HB ASP 2 -2.825 8.420 -1.491 11 HB3 ASP 2 1HB ASP 2 -3.856 9.436 -0.499 12 HA PRO 3 HA PRO 3 -1.729 8.171 3.811 13 HB2 PRO 3 2HB PRO 3 -3.993 9.114 5.043 14 HB3 PRO 3 1HB PRO 3 -2.456 9.985 5.035 15 HG2 PRO 3 2HG PRO 3 -4.845 10.359 3.269 16 HG3 PRO 3 1HG PRO 3 -3.842 11.586 4.063 17 HD2 PRO 3 2HD PRO 3 -3.539 11.011 1.474 18 HD3 PRO 3 1HD PRO 3 -2.142 11.390 2.505 19 H GLU 4 H GLU 4 -4.169 8.166 1.518 20 HA GLU 4 HA GLU 4 -5.985 6.222 2.512 21 HB2 GLU 4 2HB GLU 4 -5.315 7.039 -0.312 22 HB3 GLU 4 1HB GLU 4 -6.734 6.124 0.175 23 HG2 GLU 4 2HG GLU 4 -7.580 8.022 1.395 24 HG3 GLU 4 1HG GLU 4 -6.102 8.928 1.072 25 H LYS 5 H LYS 5 -2.830 6.097 1.160 26 HA LYS 5 HA LYS 5 -2.717 3.779 -0.327 27 HB2 LYS 5 2HB LYS 5 -0.315 3.833 0.016 28 HB3 LYS 5 1HB LYS 5 -0.933 5.458 -0.137 29 HG2 LYS 5 2HG LYS 5 -0.872 5.734 2.297 30 HG3 LYS 5 1HG LYS 5 -0.196 4.116 2.452 31 HD2 LYS 5 2HD LYS 5 1.760 4.798 1.170 32 HD3 LYS 5 1HD LYS 5 1.065 6.405 0.947 33 HE2 LYS 5 2HE LYS 5 1.047 6.712 3.377 34 HE3 LYS 5 1HE LYS 5 1.807 5.137 3.575 35 HZ1 LYS 5 1HZ LYS 5 3.713 5.949 2.344 36 HZ2 LYS 5 2HZ LYS 5 3.402 6.922 3.695 37 HZ3 LYS 5 3HZ LYS 5 2.981 7.469 2.166 38 H ARG 6 H ARG 6 -2.812 4.103 3.125 39 HA ARG 6 HA ARG 6 -1.715 1.611 3.856 40 HB2 ARG 6 2HB ARG 6 -3.796 3.281 5.251 41 HB3 ARG 6 1HB ARG 6 -2.945 1.927 5.977 42 HG2 ARG 6 2HG ARG 6 -0.847 3.151 5.807 43 HG3 ARG 6 1HG ARG 6 -1.686 4.491 5.014 44 HD2 ARG 6 2HD ARG 6 -3.077 4.805 6.971 45 HD3 ARG 6 1HD ARG 6 -2.304 3.444 7.772 46 HE ARG 6 HE ARG 6 -0.258 5.095 7.187 47 HH11 ARG 6 1HH1 ARG 6 -3.354 5.571 8.811 48 HH12 ARG 6 2HH1 ARG 6 -2.804 6.733 9.911 49 HH21 ARG 6 1HH2 ARG 6 0.560 6.713 8.764 50 HH22 ARG 6 2HH2 ARG 6 -0.515 7.384 9.891 51 H LYS 7 H LYS 7 -5.139 2.626 3.738 52 HA LYS 7 HA LYS 7 -6.199 0.062 4.075 53 HB2 LYS 7 2HB LYS 7 -7.230 2.289 4.633 54 HB3 LYS 7 1HB LYS 7 -7.450 2.534 2.913 55 HG2 LYS 7 2HG LYS 7 -9.510 1.804 3.819 56 HG3 LYS 7 1HG LYS 7 -8.828 0.488 2.860 57 HD2 LYS 7 2HD LYS 7 -9.728 -0.373 4.905 58 HD3 LYS 7 1HD LYS 7 -7.984 -0.560 4.922 59 HE2 LYS 7 2HE LYS 7 -8.813 0.202 7.105 60 HE3 LYS 7 1HE LYS 7 -7.777 1.416 6.377 61 HZ1 LYS 7 1HZ LYS 7 -9.798 2.623 5.690 62 HZ2 LYS 7 2HZ LYS 7 -9.720 2.406 7.350 63 HZ3 LYS 7 3HZ LYS 7 -10.754 1.456 6.446 64 H GLU 8 H GLU 8 -5.799 2.202 1.317 65 HA GLU 8 HA GLU 8 -7.171 0.613 -0.506 66 HB2 GLU 8 2HB GLU 8 -6.743 3.006 -0.753 67 HB3 GLU 8 1HB GLU 8 -5.036 2.677 -0.975 68 HG2 GLU 8 2HG GLU 8 -5.428 1.628 -3.051 69 HG3 GLU 8 1HG GLU 8 -7.174 1.622 -2.785 70 H CYS 9 H CYS 9 -3.746 0.702 0.369 71 HA CYS 9 HA CYS 9 -3.321 -1.316 -1.612 72 HB2 CYS 9 2HB CYS 9 -1.356 0.213 0.044 73 HB3 CYS 9 1HB CYS 9 -0.860 -1.229 -0.845 74 H GLU 10 H GLU 10 -3.964 -1.298 1.747 75 HA GLU 10 HA GLU 10 -3.066 -3.942 2.175 76 HB2 GLU 10 2HB GLU 10 -3.743 -2.424 4.031 77 HB3 GLU 10 1HB GLU 10 -5.403 -2.489 3.462 78 HG2 GLU 10 2HG GLU 10 -5.474 -4.883 3.921 79 HG3 GLU 10 1HG GLU 10 -3.805 -4.829 4.471 80 H LYS 11 H LYS 11 -5.932 -2.520 0.809 81 HA LYS 11 HA LYS 11 -7.323 -4.978 0.395 82 HB2 LYS 11 2HB LYS 11 -7.666 -2.271 -0.885 83 HB3 LYS 11 1HB LYS 11 -8.746 -3.630 -1.141 84 HG2 LYS 11 2HG LYS 11 -9.337 -3.616 1.223 85 HG3 LYS 11 1HG LYS 11 -8.224 -2.271 1.493 86 HD2 LYS 11 2HD LYS 11 -9.498 -0.877 -0.024 87 HD3 LYS 11 1HD LYS 11 -10.579 -2.220 -0.382 88 HE2 LYS 11 2HE LYS 11 -11.286 -2.267 1.960 89 HE3 LYS 11 1HE LYS 11 -10.218 -0.916 2.313 90 HZ1 LYS 11 1HZ LYS 11 -11.498 0.477 0.825 91 HZ2 LYS 11 2HZ LYS 11 -12.559 -0.241 1.928 92 HZ3 LYS 11 3HZ LYS 11 -12.459 -0.825 0.374 93 H LYS 12 H LYS 12 -5.408 -2.856 -1.712 94 HA LYS 12 HA LYS 12 -5.827 -4.430 -4.023 95 HB2 LYS 12 2HB LYS 12 -5.273 -1.976 -3.953 96 HB3 LYS 12 1HB LYS 12 -3.615 -2.434 -3.611 97 HG2 LYS 12 2HG LYS 12 -3.876 -1.923 -5.955 98 HG3 LYS 12 1HG LYS 12 -3.524 -3.643 -5.749 99 HD2 LYS 12 2HD LYS 12 -5.844 -4.206 -6.070 100 HD3 LYS 12 1HD LYS 12 -6.298 -2.503 -6.084 101 HE2 LYS 12 2HE LYS 12 -4.981 -2.204 -8.146 102 HE3 LYS 12 1HE LYS 12 -4.572 -3.919 -8.118 103 HZ1 LYS 12 1HZ LYS 12 -6.423 -3.472 -9.606 104 HZ2 LYS 12 2HZ LYS 12 -7.311 -2.802 -8.338 105 HZ3 LYS 12 3HZ LYS 12 -6.927 -4.438 -8.313 106 H TYR 13 H TYR 13 -3.107 -4.300 -1.724 107 HA TYR 13 HA TYR 13 -1.876 -6.503 -3.216 108 HB2 TYR 13 2HB TYR 13 -0.626 -4.555 -1.264 109 HB3 TYR 13 1HB TYR 13 0.208 -5.918 -1.987 110 HD1 TYR 13 1HD TYR 13 0.781 -5.875 -4.400 111 HD2 TYR 13 2HD TYR 13 -0.990 -2.527 -2.478 112 HE1 TYR 13 1HE TYR 13 1.502 -4.439 -6.251 113 HE2 TYR 13 2HE TYR 13 -0.287 -1.081 -4.331 114 HH TYR 13 HH TYR 13 0.776 -2.221 -7.274 115 H THR 14 H THR 14 -1.745 -8.405 -2.251 116 HA THR 14 HA THR 14 -2.794 -8.584 0.454 117 HB THR 14 HB THR 14 -3.866 -9.975 -1.323 118 HG1 THR 14 1HG THR 14 -4.291 -11.145 0.287 119 HG21 THR 14 1HG2 THR 14 -1.940 -10.460 -2.724 120 HG22 THR 14 2HG2 THR 14 -2.686 -11.967 -2.190 121 HG23 THR 14 3HG2 THR 14 -1.203 -11.395 -1.424 122 H ASP 15 H ASP 15 0.066 -8.857 -1.392 123 HA ASP 15 HA ASP 15 1.555 -10.440 0.468 124 HB2 ASP 15 2HB ASP 15 2.129 -10.470 -1.898 125 HB3 ASP 15 1HB ASP 15 2.429 -8.742 -1.880 126 HA PRO 16 HA PRO 16 2.256 -7.181 3.423 127 HB2 PRO 16 2HB PRO 16 4.754 -8.734 3.883 128 HB3 PRO 16 1HB PRO 16 3.556 -8.154 5.046 129 HG2 PRO 16 2HG PRO 16 3.614 -10.703 4.370 130 HG3 PRO 16 1HG PRO 16 2.066 -9.866 4.564 131 HD2 PRO 16 2HD PRO 16 3.489 -10.653 2.057 132 HD3 PRO 16 1HD PRO 16 1.750 -10.647 2.433 133 H LYS 17 H LYS 17 4.982 -8.254 1.369 134 HA LYS 17 HA LYS 17 6.314 -5.774 1.946 135 HB2 LYS 17 2HB LYS 17 7.155 -8.150 0.324 136 HB3 LYS 17 1HB LYS 17 8.090 -6.654 0.336 137 HG2 LYS 17 2HG LYS 17 7.455 -8.399 2.717 138 HG3 LYS 17 1HG LYS 17 9.007 -8.298 1.882 139 HD2 LYS 17 2HD LYS 17 9.169 -5.921 2.486 140 HD3 LYS 17 1HD LYS 17 7.631 -6.029 3.336 141 HE2 LYS 17 2HE LYS 17 8.660 -7.790 4.783 142 HE3 LYS 17 1HE LYS 17 10.204 -7.414 4.021 143 HZ1 LYS 17 1HZ LYS 17 8.505 -5.462 5.457 144 HZ2 LYS 17 2HZ LYS 17 10.041 -5.147 4.828 145 HZ3 LYS 17 3HZ LYS 17 9.856 -6.219 6.123 146 H LYS 18 H LYS 18 4.447 -7.081 -0.622 147 HA LYS 18 HA LYS 18 4.965 -4.942 -2.445 148 HB2 LYS 18 2HB LYS 18 2.578 -6.772 -2.174 149 HB3 LYS 18 1HB LYS 18 2.746 -5.584 -3.449 150 HG2 LYS 18 2HG LYS 18 4.680 -7.837 -2.978 151 HG3 LYS 18 1HG LYS 18 3.364 -7.867 -4.151 152 HD2 LYS 18 2HD LYS 18 4.324 -5.902 -5.268 153 HD3 LYS 18 1HD LYS 18 5.650 -5.896 -4.111 154 HE2 LYS 18 2HE LYS 18 4.992 -8.188 -5.932 155 HE3 LYS 18 1HE LYS 18 6.197 -6.955 -6.298 156 HZ1 LYS 18 1HZ LYS 18 6.260 -8.834 -3.992 157 HZ2 LYS 18 2HZ LYS 18 7.410 -7.660 -4.302 158 HZ3 LYS 18 3HZ LYS 18 7.207 -8.941 -5.374 159 H ARG 19 H ARG 19 2.740 -5.447 0.153 160 HA ARG 19 HA ARG 19 1.270 -3.055 -0.158 161 HB2 ARG 19 2HB ARG 19 0.550 -4.982 1.213 162 HB3 ARG 19 1HB ARG 19 1.844 -4.636 2.346 163 HG2 ARG 19 2HG ARG 19 0.821 -2.531 2.929 164 HG3 ARG 19 1HG ARG 19 -0.439 -2.783 1.714 165 HD2 ARG 19 2HD ARG 19 0.092 -4.514 4.120 166 HD3 ARG 19 1HD ARG 19 -1.257 -3.393 3.911 167 HE ARG 19 HE ARG 19 -1.467 -5.014 1.764 168 HH11 ARG 19 1HH1 ARG 19 -1.258 -5.648 5.226 169 HH12 ARG 19 2HH1 ARG 19 -2.186 -7.082 5.147 170 HH21 ARG 19 1HH2 ARG 19 -2.765 -6.943 1.682 171 HH22 ARG 19 2HH2 ARG 19 -3.068 -7.815 3.136 172 H GLU 20 H GLU 20 4.098 -3.926 1.809 173 HA GLU 20 HA GLU 20 4.565 -1.358 2.817 174 HB2 GLU 20 2HB GLU 20 6.465 -3.673 2.424 175 HB3 GLU 20 1HB GLU 20 6.922 -2.177 3.220 176 HG2 GLU 20 2HG GLU 20 5.179 -2.569 4.919 177 HG3 GLU 20 1HG GLU 20 4.778 -4.091 4.127 178 H GLU 21 H GLU 21 5.402 -2.774 -0.308 179 HA GLU 21 HA GLU 21 7.227 -0.863 -1.175 180 HB2 GLU 21 2HB GLU 21 6.765 -3.012 -2.346 181 HB3 GLU 21 1HB GLU 21 5.153 -2.413 -2.734 182 HG2 GLU 21 2HG GLU 21 6.193 -0.541 -3.905 183 HG3 GLU 21 1HG GLU 21 7.760 -1.314 -3.648 184 H CYS 22 H CYS 22 3.712 -1.189 -1.567 185 HA CYS 22 HA CYS 22 3.265 1.222 -2.871 186 HB2 CYS 22 2HB CYS 22 1.512 -0.458 -2.781 187 HB3 CYS 22 1HB CYS 22 1.400 -0.287 -1.029 188 H LYS 23 H LYS 23 3.320 0.441 0.529 189 HA LYS 23 HA LYS 23 2.530 2.764 1.769 190 HB2 LYS 23 2HB LYS 23 3.076 0.589 2.813 191 HB3 LYS 23 1HB LYS 23 4.773 0.899 2.530 192 HG2 LYS 23 2HG LYS 23 4.647 2.811 4.070 193 HG3 LYS 23 1HG LYS 23 2.953 2.408 4.391 194 HD2 LYS 23 2HD LYS 23 3.641 0.168 5.139 195 HD3 LYS 23 1HD LYS 23 5.323 0.595 4.847 196 HE2 LYS 23 2HE LYS 23 4.892 0.801 7.180 197 HE3 LYS 23 1HE LYS 23 5.078 2.418 6.513 198 HZ1 LYS 23 1HZ LYS 23 3.238 2.328 8.032 199 HZ2 LYS 23 2HZ LYS 23 2.541 1.058 7.192 200 HZ3 LYS 23 3HZ LYS 23 2.605 2.583 6.484 201 H ARG 24 H ARG 24 5.623 2.029 0.252 202 HA ARG 24 HA ARG 24 6.856 4.543 1.058 203 HB2 ARG 24 2HB ARG 24 7.837 2.229 -0.600 204 HB3 ARG 24 1HB ARG 24 8.789 3.661 -0.252 205 HG2 ARG 24 2HG ARG 24 8.782 3.152 2.095 206 HG3 ARG 24 1HG ARG 24 7.679 1.800 1.828 207 HD2 ARG 24 2HD ARG 24 10.036 1.087 2.101 208 HD3 ARG 24 1HD ARG 24 9.351 0.624 0.544 209 HE ARG 24 HE ARG 24 10.644 3.107 0.319 210 HH11 ARG 24 1HH1 ARG 24 11.493 -0.322 0.768 211 HH12 ARG 24 2HH1 ARG 24 12.947 -0.205 -0.095 212 HH21 ARG 24 1HH2 ARG 24 12.693 3.228 -0.846 213 HH22 ARG 24 2HH2 ARG 24 13.654 1.817 -0.974 214 H LYS 25 H LYS 25 5.131 3.246 -1.622 215 HA LYS 25 HA LYS 25 6.416 5.013 -3.556 216 HB2 LYS 25 2HB LYS 25 6.111 2.666 -4.106 217 HB3 LYS 25 1HB LYS 25 4.380 2.818 -3.900 218 HG2 LYS 25 2HG LYS 25 4.262 4.314 -5.823 219 HG3 LYS 25 1HG LYS 25 6.014 4.217 -6.014 220 HD2 LYS 25 2HD LYS 25 4.147 1.847 -6.152 221 HD3 LYS 25 1HD LYS 25 4.750 2.719 -7.561 222 HE2 LYS 25 2HE LYS 25 7.035 2.128 -6.971 223 HE3 LYS 25 1HE LYS 25 6.483 1.317 -5.510 224 HZ1 LYS 25 1HZ LYS 25 5.486 -0.397 -6.777 225 HZ2 LYS 25 2HZ LYS 25 6.986 -0.125 -7.505 226 HZ3 LYS 25 3HZ LYS 25 5.605 0.484 -8.209 227 H ALA 26 H ALA 26 3.321 4.521 -2.010 228 HA ALA 26 HA ALA 26 2.107 6.622 -3.580 229 HB1 ALA 26 1HB ALA 26 1.003 4.923 -1.353 230 HB2 ALA 26 2HB ALA 26 0.799 4.624 -3.079 231 HB3 ALA 26 3HB ALA 26 0.070 6.049 -2.335
Contact the webmaster for help, if required. Sunday, July 7, 2024 1:10:23 PM GMT (wattos1)