NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608518 | 5kwo | 30140 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 1HT CYS 1 -6.014 9.518 3.213 2 H2 CYS 1 2HT CYS 1 -5.190 9.871 1.788 3 H3 CYS 1 3HT CYS 1 -4.518 10.303 3.263 4 HA CYS 1 HA CYS 1 -3.460 8.388 2.311 5 HB2 CYS 1 2HB CYS 1 -5.124 7.773 4.763 6 HB3 CYS 1 1HB CYS 1 -3.666 6.913 4.278 7 H GLN 2 H GLN 2 -3.614 6.461 1.274 8 HA GLN 2 HA GLN 2 -6.309 5.625 0.476 9 HB2 GLN 2 2HB GLN 2 -3.631 4.785 -0.698 10 HB3 GLN 2 1HB GLN 2 -5.198 4.357 -1.327 11 HG2 GLN 2 2HG GLN 2 -4.053 7.138 -1.211 12 HG3 GLN 2 1HG GLN 2 -4.205 6.128 -2.645 13 HE21 GLN 2 1HE2 GLN 2 -6.245 5.845 -3.575 14 HE22 GLN 2 2HE2 GLN 2 -7.584 6.843 -3.160 15 H THR 3 H THR 3 -6.454 3.102 0.171 16 HA THR 3 HA THR 3 -4.991 1.739 2.281 17 HB THR 3 HB THR 3 -8.014 1.738 2.024 18 HG1 THR 3 1HG THR 3 -6.254 3.228 3.347 19 HG21 THR 3 1HG2 THR 3 -6.221 0.265 3.983 20 HG22 THR 3 2HG2 THR 3 -7.151 -0.485 2.687 21 HG23 THR 3 3HG2 THR 3 -7.984 0.298 4.030 22 H TRP 4 H TRP 4 -4.274 -0.165 1.617 23 HA TRP 4 HA TRP 4 -5.474 -1.379 -0.792 24 HB2 TRP 4 2HB TRP 4 -2.568 -1.589 0.021 25 HB3 TRP 4 1HB TRP 4 -3.301 -2.085 -1.496 26 HD1 TRP 4 HD TRP 4 -1.735 0.824 0.230 27 HE1 TRP 4 1HE TRP 4 -1.621 2.822 -1.383 28 HE3 TRP 4 3HE TRP 4 -4.674 -0.974 -3.519 29 HZ2 TRP 4 2HZ TRP 4 -2.602 3.543 -3.827 30 HZ3 TRP 4 3HZ TRP 4 -5.049 0.446 -5.500 31 HH2 TRP 4 HH TRP 4 -4.033 2.674 -5.658 32 H ARG 5 H ARG 5 -6.015 -3.488 -0.499 33 HA ARG 5 HA ARG 5 -4.981 -4.808 1.897 34 HB2 ARG 5 2HB ARG 5 -7.861 -4.695 1.018 35 HB3 ARG 5 1HB ARG 5 -7.246 -5.742 2.284 36 HG2 ARG 5 2HG ARG 5 -6.781 -3.939 3.707 37 HG3 ARG 5 1HG ARG 5 -6.912 -2.767 2.395 38 HD2 ARG 5 2HD ARG 5 -9.170 -4.404 3.540 39 HD3 ARG 5 1HD ARG 5 -8.848 -2.699 3.861 40 HE ARG 5 HE ARG 5 -9.370 -3.670 1.146 41 HH11 ARG 5 1HH1 ARG 5 -10.240 -1.480 3.806 42 HH12 ARG 5 2HH1 ARG 5 -11.316 -0.551 2.865 43 HH21 ARG 5 1HH2 ARG 5 -10.818 -2.375 -0.130 44 HH22 ARG 5 2HH2 ARG 5 -11.644 -1.065 0.572 45 H DAR 6 H DAR 6 -4.616 -6.905 1.733 46 HA DAR 6 HA DAR 6 -5.691 -8.581 -0.254 47 HB2 DAR 6 1HB DAR 6 -4.210 -10.279 0.618 48 HB3 DAR 6 2HB DAR 6 -5.046 -9.443 1.919 49 HG2 DAR 6 1HG DAR 6 -2.996 -8.140 2.362 50 HG3 DAR 6 2HG DAR 6 -2.176 -9.046 1.090 51 HD2 DAR 6 1HD DAR 6 -2.636 -11.131 2.303 52 HD3 DAR 6 2HD DAR 6 -3.405 -10.206 3.583 53 HE DAR 6 HE DAR 6 -0.789 -9.254 3.151 54 HH11 DAR 6 1HH2 DAR 6 0.948 -9.836 4.583 55 HH12 DAR 6 2HH2 DAR 6 0.797 -11.153 5.641 56 HH21 DAR 6 1HH1 DAR 6 -2.508 -12.010 4.583 57 HH22 DAR 6 2HH1 DAR 6 -1.238 -12.436 5.630 58 H VAL 7 H VAL 7 -2.933 -6.605 -0.197 59 HA VAL 7 HA VAL 7 -2.173 -7.620 -2.827 60 HB VAL 7 HB VAL 7 -0.885 -5.510 -3.088 61 HG11 VAL 7 1HG1 VAL 7 -3.761 -5.122 -2.285 62 HG12 VAL 7 2HG1 VAL 7 -3.170 -5.564 -3.888 63 HG13 VAL 7 3HG1 VAL 7 -2.813 -3.971 -3.220 64 HG21 VAL 7 1HG2 VAL 7 -2.073 -4.753 -0.414 65 HG22 VAL 7 2HG2 VAL 7 -1.118 -3.697 -1.458 66 HG23 VAL 7 3HG2 VAL 7 -0.378 -5.118 -0.720 67 H SER 8 H SER 8 0.184 -7.728 -3.263 68 HA SER 8 HA SER 8 1.447 -9.121 -1.122 69 HB2 SER 8 2HB SER 8 2.375 -8.478 -3.925 70 HB3 SER 8 1HB SER 8 3.176 -9.595 -2.814 71 HG SER 8 HG SER 8 1.163 -10.741 -2.741 72 HA PRO 9 HA PRO 9 3.836 -6.046 0.876 73 HB2 PRO 9 2HB PRO 9 6.177 -7.767 0.207 74 HB3 PRO 9 1HB PRO 9 5.734 -7.005 1.740 75 HG2 PRO 9 2HG PRO 9 5.228 -9.563 1.402 76 HG3 PRO 9 1HG PRO 9 4.016 -8.513 2.157 77 HD2 PRO 9 2HD PRO 9 4.084 -9.635 -0.607 78 HD3 PRO 9 1HD PRO 9 2.701 -9.354 0.473 79 H GLU 10 H GLU 10 5.796 -7.205 -1.947 80 HA GLU 10 HA GLU 10 7.027 -4.680 -2.172 81 HB2 GLU 10 2HB GLU 10 6.918 -6.934 -4.150 82 HB3 GLU 10 1HB GLU 10 7.704 -5.411 -4.536 83 HG2 GLU 10 2HG GLU 10 9.410 -6.859 -3.854 84 HG3 GLU 10 1HG GLU 10 9.130 -5.795 -2.483 85 H GLU 11 H GLU 11 4.237 -5.973 -3.843 86 HA GLU 11 HA GLU 11 3.628 -3.906 -5.625 87 HB2 GLU 11 2HB GLU 11 2.414 -6.089 -5.300 88 HB3 GLU 11 1HB GLU 11 1.726 -5.440 -3.831 89 HG2 GLU 11 2HG GLU 11 0.062 -5.305 -5.510 90 HG3 GLU 11 1HG GLU 11 0.644 -3.672 -5.224 91 H CYS 12 H CYS 12 2.763 -4.383 -2.272 92 HA CYS 12 HA CYS 12 1.448 -2.006 -1.720 93 HB2 CYS 12 2HB CYS 12 1.351 -3.968 -0.283 94 HB3 CYS 12 1HB CYS 12 3.061 -3.797 0.089 95 H ARG 13 H ARG 13 4.874 -2.845 -1.435 96 HA ARG 13 HA ARG 13 5.833 -0.479 -0.276 97 HB2 ARG 13 2HB ARG 13 7.184 -2.371 -2.196 98 HB3 ARG 13 1HB ARG 13 8.016 -1.101 -1.316 99 HG2 ARG 13 2HG ARG 13 6.501 -3.345 -0.011 100 HG3 ARG 13 1HG ARG 13 8.235 -3.369 -0.327 101 HD2 ARG 13 2HD ARG 13 8.557 -1.456 1.081 102 HD3 ARG 13 1HD ARG 13 6.822 -1.277 1.313 103 HE ARG 13 HE ARG 13 6.871 -3.414 2.480 104 HH11 ARG 13 1HH1 ARG 13 9.926 -1.632 2.144 105 HH12 ARG 13 2HH1 ARG 13 10.615 -2.281 3.550 106 HH21 ARG 13 1HH2 ARG 13 7.857 -4.305 4.382 107 HH22 ARG 13 2HH2 ARG 13 9.442 -3.857 4.827 108 H LYS 14 H LYS 14 5.349 -1.340 -3.635 109 HA LYS 14 HA LYS 14 6.383 1.024 -4.764 110 HB2 LYS 14 2HB LYS 14 4.219 -0.798 -5.839 111 HB3 LYS 14 1HB LYS 14 5.158 0.356 -6.782 112 HG2 LYS 14 2HG LYS 14 7.193 -0.871 -6.303 113 HG3 LYS 14 1HG LYS 14 6.293 -1.996 -5.295 114 HD2 LYS 14 2HD LYS 14 4.989 -2.669 -7.278 115 HD3 LYS 14 1HD LYS 14 5.988 -1.602 -8.270 116 HE2 LYS 14 2HE LYS 14 6.939 -3.971 -6.658 117 HE3 LYS 14 1HE LYS 14 6.819 -3.882 -8.414 118 HZ1 LYS 14 1HZ LYS 14 8.615 -2.250 -6.704 119 HZ2 LYS 14 2HZ LYS 14 8.504 -2.131 -8.382 120 HZ3 LYS 14 3HZ LYS 14 9.092 -3.530 -7.675 121 H TYR 15 H TYR 15 3.142 0.090 -3.722 122 HA TYR 15 HA TYR 15 1.850 2.496 -4.405 123 HB2 TYR 15 2HB TYR 15 1.189 0.633 -2.123 124 HB3 TYR 15 1HB TYR 15 0.141 1.901 -2.730 125 HD1 TYR 15 1HD TYR 15 0.782 1.314 -5.735 126 HD2 TYR 15 2HD TYR 15 -0.343 -1.124 -2.440 127 HE1 TYR 15 1HE TYR 15 -0.241 -0.278 -7.267 128 HE2 TYR 15 2HE TYR 15 -1.356 -2.727 -3.970 129 HH TYR 15 HH TYR 15 -0.677 -2.810 -7.110 130 H LYS 16 H LYS 16 3.617 1.550 -1.517 131 HA LYS 16 HA LYS 16 3.021 3.780 0.096 132 HB2 LYS 16 2HB LYS 16 5.665 2.329 0.003 133 HB3 LYS 16 1HB LYS 16 5.081 3.337 1.309 134 HG2 LYS 16 2HG LYS 16 3.313 1.713 1.753 135 HG3 LYS 16 1HG LYS 16 3.926 0.707 0.437 136 HD2 LYS 16 2HD LYS 16 6.158 0.748 1.630 137 HD3 LYS 16 1HD LYS 16 5.301 1.441 3.001 138 HE2 LYS 16 2HE LYS 16 4.662 -1.194 1.695 139 HE3 LYS 16 1HE LYS 16 5.566 -0.992 3.191 140 HZ1 LYS 16 1HZ LYS 16 3.294 -1.601 3.476 141 HZ2 LYS 16 2HZ LYS 16 2.750 -0.125 2.812 142 HZ3 LYS 16 3HZ LYS 16 3.634 -0.148 4.252 143 H GLU 17 H GLU 17 5.824 3.184 -1.978 144 HA GLU 17 HA GLU 17 7.000 5.683 -1.559 145 HB2 GLU 17 2HB GLU 17 7.321 3.876 -3.946 146 HB3 GLU 17 1HB GLU 17 8.417 5.167 -3.469 147 HG2 GLU 17 2HG GLU 17 7.857 2.604 -1.997 148 HG3 GLU 17 1HG GLU 17 9.354 3.074 -2.798 149 H GLU 18 H GLU 18 4.693 4.628 -3.978 150 HA GLU 18 HA GLU 18 4.931 7.065 -5.454 151 HB2 GLU 18 2HB GLU 18 4.493 5.023 -6.637 152 HB3 GLU 18 1HB GLU 18 3.029 4.749 -5.713 153 HG2 GLU 18 2HG GLU 18 1.923 6.555 -6.785 154 HG3 GLU 18 1HG GLU 18 3.422 7.100 -7.536 155 H TYR 19 H TYR 19 2.648 5.899 -3.001 156 HA TYR 19 HA TYR 19 1.050 8.308 -3.525 157 HB2 TYR 19 2HB TYR 19 0.242 5.804 -2.082 158 HB3 TYR 19 1HB TYR 19 -0.785 7.207 -2.315 159 HD1 TYR 19 1HD TYR 19 -1.557 7.756 -4.649 160 HD2 TYR 19 2HD TYR 19 0.505 4.174 -3.732 161 HE1 TYR 19 1HE TYR 19 -2.401 6.749 -6.725 162 HE2 TYR 19 2HE TYR 19 -0.314 3.149 -5.796 163 HH TYR 19 HH TYR 19 -1.727 4.931 -8.261 164 H DSG 20 H DAS 20 3.222 7.049 -1.069 165 HA DSG 20 HA DAS 20 2.642 9.303 0.563 166 HB2 DSG 20 1HB DAS 20 4.930 8.498 -0.016 167 HB3 DSG 20 2HB DAS 20 4.591 7.016 0.854 168 HD21 DSG 20 1HD2 DAS 20 6.660 8.844 1.298 169 HD22 DSG 20 2HD2 DAS 20 6.476 9.417 2.905 170 H CYS 21 H CYS 21 0.938 9.102 1.880 171 HA CYS 21 HA CYS 21 1.003 7.089 3.922 172 HB2 CYS 21 2HB CYS 21 0.404 9.381 4.505 173 HB3 CYS 21 1HB CYS 21 -0.993 9.307 3.439 174 H VAL 22 H VAL 22 0.402 5.090 3.326 175 HA VAL 22 HA VAL 22 -2.330 4.809 2.413 176 HB VAL 22 HB VAL 22 -1.789 3.060 0.772 177 HG11 VAL 22 1HG1 VAL 22 -1.920 5.352 -0.021 178 HG12 VAL 22 2HG1 VAL 22 -0.775 4.401 -0.973 179 HG13 VAL 22 3HG1 VAL 22 -0.191 5.533 0.239 180 HG21 VAL 22 1HG2 VAL 22 1.120 3.663 1.327 181 HG22 VAL 22 2HG2 VAL 22 0.494 2.647 0.025 182 HG23 VAL 22 3HG2 VAL 22 0.274 2.153 1.709 183 H ARG 23 H ARG 23 -3.413 3.267 3.416 184 HA ARG 23 HA ARG 23 -2.089 1.870 5.575 185 HB2 ARG 23 2HB ARG 23 -4.253 2.975 5.958 186 HB3 ARG 23 1HB ARG 23 -4.997 1.955 4.738 187 HG2 ARG 23 2HG ARG 23 -4.603 -0.003 6.096 188 HG3 ARG 23 1HG ARG 23 -3.765 0.973 7.303 189 HD2 ARG 23 2HD ARG 23 -6.663 1.198 6.502 190 HD3 ARG 23 1HD ARG 23 -6.050 0.519 8.010 191 HE ARG 23 HE ARG 23 -5.835 3.342 7.208 192 HH11 ARG 23 1HH1 ARG 23 -5.962 0.904 9.793 193 HH12 ARG 23 2HH1 ARG 23 -6.119 2.069 11.032 194 HH21 ARG 23 1HH2 ARG 23 -6.075 4.881 8.914 195 HH22 ARG 23 2HH2 ARG 23 -6.185 4.342 10.535 196 H CYS 24 H CYS 24 -1.153 -0.010 5.177 197 HA CYS 24 HA CYS 24 -2.471 -1.946 3.486 198 HB2 CYS 24 2HB CYS 24 -1.261 -0.588 1.917 199 HB3 CYS 24 1HB CYS 24 0.200 -0.706 2.879 200 H THR 25 H THR 25 -1.694 -4.089 3.873 201 HA THR 25 HA THR 25 0.022 -4.327 6.227 202 HB THR 25 HB THR 25 -2.048 -6.271 5.177 203 HG1 THR 25 1HG THR 25 -2.701 -4.141 6.085 204 HG21 THR 25 1HG2 THR 25 -0.263 -7.331 6.511 205 HG22 THR 25 2HG2 THR 25 -1.799 -7.347 7.380 206 HG23 THR 25 3HG2 THR 25 -0.554 -6.176 7.811 207 H GLU 26 H GLU 26 1.873 -5.452 6.003 208 HA GLU 26 HA GLU 26 2.729 -6.386 3.403 209 HB2 GLU 26 2HB GLU 26 4.139 -6.707 6.047 210 HB3 GLU 26 1HB GLU 26 4.848 -6.714 4.446 211 HG2 GLU 26 2HG GLU 26 3.656 -4.338 5.845 212 HG3 GLU 26 1HG GLU 26 5.369 -4.708 5.730 Start of MODEL 2 1 H1 CYS 1 1HT CYS 1 -4.663 9.890 1.792 2 H2 CYS 1 2HT CYS 1 -6.217 9.228 1.913 3 H3 CYS 1 3HT CYS 1 -5.267 8.911 0.560 4 HA CYS 1 HA CYS 1 -3.704 7.719 1.857 5 HB2 CYS 1 2HB CYS 1 -5.613 8.176 4.166 6 HB3 CYS 1 1HB CYS 1 -4.131 7.241 4.207 7 H GLN 2 H GLN 2 -4.248 6.102 0.523 8 HA GLN 2 HA GLN 2 -6.870 4.892 0.685 9 HB2 GLN 2 2HB GLN 2 -4.505 4.115 -1.060 10 HB3 GLN 2 1HB GLN 2 -6.130 3.470 -1.196 11 HG2 GLN 2 2HG GLN 2 -6.012 5.017 -2.930 12 HG3 GLN 2 1HG GLN 2 -6.840 5.904 -1.657 13 HE21 GLN 2 1HE2 GLN 2 -3.999 5.652 -3.582 14 HE22 GLN 2 2HE2 GLN 2 -3.282 7.140 -3.096 15 H THR 3 H THR 3 -7.060 2.505 0.925 16 HA THR 3 HA THR 3 -4.993 1.442 2.701 17 HB THR 3 HB THR 3 -7.982 0.974 2.873 18 HG1 THR 3 1HG THR 3 -7.460 3.023 3.587 19 HG21 THR 3 1HG2 THR 3 -6.673 -0.958 3.652 20 HG22 THR 3 2HG2 THR 3 -7.470 -0.159 5.007 21 HG23 THR 3 3HG2 THR 3 -5.749 0.087 4.730 22 H TRP 4 H TRP 4 -4.006 -0.120 1.725 23 HA TRP 4 HA TRP 4 -5.305 -1.652 -0.404 24 HB2 TRP 4 2HB TRP 4 -2.386 -1.591 0.383 25 HB3 TRP 4 1HB TRP 4 -3.077 -2.203 -1.111 26 HD1 TRP 4 HD TRP 4 -1.763 0.916 0.488 27 HE1 TRP 4 1HE TRP 4 -1.875 2.867 -1.188 28 HE3 TRP 4 3HE TRP 4 -4.617 -1.274 -3.118 29 HZ2 TRP 4 2HZ TRP 4 -3.015 3.409 -3.680 30 HZ3 TRP 4 3HZ TRP 4 -5.184 0.041 -5.131 31 HH2 TRP 4 HH TRP 4 -4.397 2.331 -5.397 32 H ARG 5 H ARG 5 -6.183 -3.510 0.282 33 HA ARG 5 HA ARG 5 -4.948 -4.882 2.574 34 HB2 ARG 5 2HB ARG 5 -7.783 -5.015 1.566 35 HB3 ARG 5 1HB ARG 5 -7.144 -5.917 2.929 36 HG2 ARG 5 2HG ARG 5 -6.731 -3.837 4.126 37 HG3 ARG 5 1HG ARG 5 -7.344 -2.922 2.745 38 HD2 ARG 5 2HD ARG 5 -9.062 -3.145 4.423 39 HD3 ARG 5 1HD ARG 5 -9.504 -4.036 2.976 40 HE ARG 5 HE ARG 5 -8.423 -5.261 5.417 41 HH11 ARG 5 1HH1 ARG 5 -10.498 -5.445 2.553 42 HH12 ARG 5 2HH1 ARG 5 -11.218 -6.917 2.964 43 HH21 ARG 5 1HH2 ARG 5 -9.467 -7.293 6.037 44 HH22 ARG 5 2HH2 ARG 5 -10.653 -7.969 5.016 45 H DAR 6 H DAR 6 -4.083 -6.759 2.225 46 HA DAR 6 HA DAR 6 -5.071 -8.871 0.660 47 HB2 DAR 6 1HB DAR 6 -3.461 -9.202 2.473 48 HB3 DAR 6 2HB DAR 6 -2.249 -8.282 1.597 49 HG2 DAR 6 1HG DAR 6 -2.414 -10.047 -0.214 50 HG3 DAR 6 2HG DAR 6 -3.326 -11.014 0.947 51 HD2 DAR 6 1HD DAR 6 -0.984 -11.638 1.004 52 HD3 DAR 6 2HD DAR 6 -1.445 -10.867 2.523 53 HE DAR 6 HE DAR 6 -0.374 -9.049 0.582 54 HH11 DAR 6 1HH2 DAR 6 1.590 -7.922 1.161 55 HH12 DAR 6 2HH2 DAR 6 2.604 -8.577 2.389 56 HH21 DAR 6 1HH1 DAR 6 0.639 -11.428 2.995 57 HH22 DAR 6 2HH1 DAR 6 2.066 -10.597 3.418 58 H VAL 7 H VAL 7 -2.418 -6.656 0.081 59 HA VAL 7 HA VAL 7 -2.570 -7.266 -2.761 60 HB VAL 7 HB VAL 7 -1.345 -5.138 -3.125 61 HG11 VAL 7 1HG1 VAL 7 -3.839 -4.783 -1.460 62 HG12 VAL 7 2HG1 VAL 7 -3.797 -5.174 -3.174 63 HG13 VAL 7 3HG1 VAL 7 -3.187 -3.619 -2.617 64 HG21 VAL 7 1HG2 VAL 7 -0.159 -5.026 -0.997 65 HG22 VAL 7 2HG2 VAL 7 -1.681 -4.758 -0.149 66 HG23 VAL 7 3HG2 VAL 7 -1.073 -3.544 -1.274 67 H SER 8 H SER 8 -0.458 -7.353 -3.857 68 HA SER 8 HA SER 8 1.223 -9.217 -2.646 69 HB2 SER 8 2HB SER 8 1.836 -7.442 -5.015 70 HB3 SER 8 1HB SER 8 2.496 -9.043 -4.669 71 HG SER 8 HG SER 8 0.872 -9.181 -6.188 72 HA PRO 9 HA PRO 9 3.903 -6.809 0.029 73 HB2 PRO 9 2HB PRO 9 6.000 -8.551 -1.196 74 HB3 PRO 9 1HB PRO 9 5.724 -8.153 0.506 75 HG2 PRO 9 2HG PRO 9 4.924 -10.487 -0.417 76 HG3 PRO 9 1HG PRO 9 3.880 -9.558 0.673 77 HD2 PRO 9 2HD PRO 9 3.654 -9.960 -2.273 78 HD3 PRO 9 1HD PRO 9 2.380 -9.831 -1.040 79 H GLU 10 H GLU 10 5.372 -7.503 -3.184 80 HA GLU 10 HA GLU 10 7.060 -5.238 -3.047 81 HB2 GLU 10 2HB GLU 10 7.492 -7.222 -4.508 82 HB3 GLU 10 1HB GLU 10 6.166 -6.706 -5.533 83 HG2 GLU 10 2HG GLU 10 7.333 -4.755 -6.206 84 HG3 GLU 10 1HG GLU 10 8.587 -5.015 -4.995 85 H GLU 11 H GLU 11 3.978 -5.799 -4.674 86 HA GLU 11 HA GLU 11 3.444 -3.289 -5.716 87 HB2 GLU 11 2HB GLU 11 1.675 -5.363 -4.448 88 HB3 GLU 11 1HB GLU 11 1.019 -3.869 -5.089 89 HG2 GLU 11 2HG GLU 11 2.696 -5.713 -6.741 90 HG3 GLU 11 1HG GLU 11 0.944 -5.892 -6.593 91 H CYS 12 H CYS 12 2.896 -4.522 -2.478 92 HA CYS 12 HA CYS 12 1.642 -2.359 -1.315 93 HB2 CYS 12 2HB CYS 12 1.895 -4.612 -0.283 94 HB3 CYS 12 1HB CYS 12 3.580 -4.234 0.044 95 H ARG 13 H ARG 13 5.168 -3.052 -1.436 96 HA ARG 13 HA ARG 13 5.842 -0.646 -0.137 97 HB2 ARG 13 2HB ARG 13 7.551 -2.363 -0.331 98 HB3 ARG 13 1HB ARG 13 7.534 -2.223 -2.093 99 HG2 ARG 13 2HG ARG 13 8.282 0.101 -1.900 100 HG3 ARG 13 1HG ARG 13 8.324 -0.064 -0.153 101 HD2 ARG 13 2HD ARG 13 10.100 -1.663 -0.300 102 HD3 ARG 13 1HD ARG 13 9.972 -1.698 -2.065 103 HE ARG 13 HE ARG 13 10.351 0.899 -1.561 104 HH11 ARG 13 1HH1 ARG 13 12.265 -1.952 -0.604 105 HH12 ARG 13 2HH1 ARG 13 13.695 -1.046 -0.446 106 HH21 ARG 13 1HH2 ARG 13 12.269 2.033 -1.407 107 HH22 ARG 13 2HH2 ARG 13 13.730 1.246 -0.933 108 H LYS 14 H LYS 14 5.398 -1.407 -3.553 109 HA LYS 14 HA LYS 14 6.226 1.031 -4.635 110 HB2 LYS 14 2HB LYS 14 3.970 -0.729 -5.621 111 HB3 LYS 14 1HB LYS 14 4.776 0.527 -6.549 112 HG2 LYS 14 2HG LYS 14 6.884 -0.750 -6.404 113 HG3 LYS 14 1HG LYS 14 6.035 -2.000 -5.507 114 HD2 LYS 14 2HD LYS 14 6.235 -2.654 -7.834 115 HD3 LYS 14 1HD LYS 14 4.548 -2.356 -7.435 116 HE2 LYS 14 2HE LYS 14 5.163 -1.420 -9.621 117 HE3 LYS 14 1HE LYS 14 4.639 -0.173 -8.497 118 HZ1 LYS 14 1HZ LYS 14 6.610 0.493 -9.745 119 HZ2 LYS 14 2HZ LYS 14 7.482 -0.812 -9.134 120 HZ3 LYS 14 3HZ LYS 14 6.958 0.400 -8.110 121 H TYR 15 H TYR 15 3.100 0.078 -3.324 122 HA TYR 15 HA TYR 15 1.765 2.486 -3.930 123 HB2 TYR 15 2HB TYR 15 1.167 0.586 -1.648 124 HB3 TYR 15 1HB TYR 15 0.074 1.795 -2.297 125 HD1 TYR 15 1HD TYR 15 0.682 1.174 -5.297 126 HD2 TYR 15 2HD TYR 15 -0.220 -1.295 -1.950 127 HE1 TYR 15 1HE TYR 15 -0.251 -0.518 -6.796 128 HE2 TYR 15 2HE TYR 15 -1.141 -2.993 -3.453 129 HH TYR 15 HH TYR 15 -0.614 -2.993 -6.755 130 H LYS 16 H LYS 16 3.423 1.383 -0.995 131 HA LYS 16 HA LYS 16 2.889 3.650 0.608 132 HB2 LYS 16 2HB LYS 16 5.264 1.791 0.741 133 HB3 LYS 16 1HB LYS 16 4.801 2.934 1.981 134 HG2 LYS 16 2HG LYS 16 2.726 1.667 2.349 135 HG3 LYS 16 1HG LYS 16 3.235 0.509 1.111 136 HD2 LYS 16 2HD LYS 16 5.283 0.063 2.401 137 HD3 LYS 16 1HD LYS 16 4.719 1.158 3.660 138 HE2 LYS 16 2HE LYS 16 2.759 -0.322 3.988 139 HE3 LYS 16 1HE LYS 16 3.419 -1.418 2.779 140 HZ1 LYS 16 1HZ LYS 16 4.016 -2.218 4.948 141 HZ2 LYS 16 2HZ LYS 16 4.643 -0.734 5.401 142 HZ3 LYS 16 3HZ LYS 16 5.405 -1.646 4.200 143 H GLU 17 H GLU 17 5.547 2.877 -1.541 144 HA GLU 17 HA GLU 17 7.064 5.157 -0.756 145 HB2 GLU 17 2HB GLU 17 8.070 2.984 -1.351 146 HB3 GLU 17 1HB GLU 17 7.516 3.190 -2.999 147 HG2 GLU 17 2HG GLU 17 9.023 4.980 -3.364 148 HG3 GLU 17 1HG GLU 17 9.413 5.085 -1.647 149 H GLU 18 H GLU 18 4.878 4.427 -3.429 150 HA GLU 18 HA GLU 18 5.663 6.832 -4.820 151 HB2 GLU 18 2HB GLU 18 5.015 4.805 -6.065 152 HB3 GLU 18 1HB GLU 18 3.399 4.919 -5.394 153 HG2 GLU 18 2HG GLU 18 3.436 5.739 -7.671 154 HG3 GLU 18 1HG GLU 18 3.070 7.051 -6.552 155 H TYR 19 H TYR 19 2.654 5.718 -3.192 156 HA TYR 19 HA TYR 19 1.384 8.227 -3.733 157 HB2 TYR 19 2HB TYR 19 0.470 5.968 -1.968 158 HB3 TYR 19 1HB TYR 19 -0.499 7.368 -2.399 159 HD1 TYR 19 1HD TYR 19 0.332 4.056 -3.236 160 HD2 TYR 19 2HD TYR 19 -0.834 7.749 -4.969 161 HE1 TYR 19 1HE TYR 19 -0.453 2.863 -5.232 162 HE2 TYR 19 2HE TYR 19 -1.619 6.577 -6.962 163 HH TYR 19 HH TYR 19 -1.177 4.426 -8.117 164 H DSG 20 H DAS 20 2.884 6.839 -0.861 165 HA DSG 20 HA DAS 20 2.501 9.479 0.355 166 HB2 DSG 20 1HB DAS 20 4.653 7.434 0.869 167 HB3 DSG 20 2HB DAS 20 4.436 8.882 1.844 168 HD21 DSG 20 1HD2 DAS 20 6.723 8.092 0.289 169 HD22 DSG 20 2HD2 DAS 20 7.002 9.357 -0.850 170 H CYS 21 H CYS 21 0.786 9.435 1.566 171 HA CYS 21 HA CYS 21 0.705 7.716 3.851 172 HB2 CYS 21 2HB CYS 21 -0.002 10.043 4.076 173 HB3 CYS 21 1HB CYS 21 -1.242 9.806 2.855 174 H VAL 22 H VAL 22 0.359 5.639 3.145 175 HA VAL 22 HA VAL 22 -2.388 5.120 2.422 176 HB VAL 22 HB VAL 22 -1.718 3.281 0.835 177 HG11 VAL 22 1HG1 VAL 22 -1.262 4.687 -1.101 178 HG12 VAL 22 2HG1 VAL 22 -0.904 6.038 -0.025 179 HG13 VAL 22 3HG1 VAL 22 -2.533 5.358 -0.076 180 HG21 VAL 22 1HG2 VAL 22 0.982 4.602 0.955 181 HG22 VAL 22 2HG2 VAL 22 0.505 3.342 -0.186 182 HG23 VAL 22 3HG2 VAL 22 0.588 2.986 1.542 183 H ARG 23 H ARG 23 -3.168 3.311 3.271 184 HA ARG 23 HA ARG 23 -1.520 2.012 5.288 185 HB2 ARG 23 2HB ARG 23 -4.450 1.655 4.629 186 HB3 ARG 23 1HB ARG 23 -3.626 1.036 6.049 187 HG2 ARG 23 2HG ARG 23 -3.258 3.338 6.797 188 HG3 ARG 23 1HG ARG 23 -4.144 3.919 5.382 189 HD2 ARG 23 2HD ARG 23 -5.641 3.875 7.251 190 HD3 ARG 23 1HD ARG 23 -6.093 2.591 6.134 191 HE ARG 23 HE ARG 23 -4.318 1.850 8.299 192 HH11 ARG 23 1HH1 ARG 23 -7.647 1.858 7.081 193 HH12 ARG 23 2HH1 ARG 23 -8.184 0.693 8.205 194 HH21 ARG 23 1HH2 ARG 23 -5.071 0.342 9.833 195 HH22 ARG 23 2HH2 ARG 23 -6.711 -0.155 9.842 196 H CYS 24 H CYS 24 -0.938 -0.109 4.985 197 HA CYS 24 HA CYS 24 -2.050 -1.531 2.739 198 HB2 CYS 24 2HB CYS 24 -0.195 -0.150 1.801 199 HB3 CYS 24 1HB CYS 24 0.910 -0.957 2.906 200 H THR 25 H THR 25 -2.141 -3.622 3.191 201 HA THR 25 HA THR 25 -1.340 -4.459 5.772 202 HB THR 25 HB THR 25 -2.311 -6.652 5.033 203 HG1 THR 25 1HG THR 25 -1.729 -6.128 2.833 204 HG21 THR 25 1HG2 THR 25 -4.627 -5.800 4.882 205 HG22 THR 25 2HG2 THR 25 -4.003 -4.185 4.542 206 HG23 THR 25 3HG2 THR 25 -3.709 -4.931 6.111 207 H GLU 26 H GLU 26 0.875 -4.313 5.772 208 HA GLU 26 HA GLU 26 2.363 -6.568 5.557 209 HB2 GLU 26 2HB GLU 26 2.221 -6.234 3.046 210 HB3 GLU 26 1HB GLU 26 2.956 -4.657 3.245 211 HG2 GLU 26 2HG GLU 26 4.533 -6.360 2.427 212 HG3 GLU 26 1HG GLU 26 5.024 -5.663 3.966 Start of MODEL 3 1 H1 CYS 1 1HT CYS 1 -6.834 8.304 3.212 2 H2 CYS 1 2HT CYS 1 -5.671 9.022 4.221 3 H3 CYS 1 3HT CYS 1 -6.290 7.478 4.561 4 HA CYS 1 HA CYS 1 -4.738 8.109 2.176 5 HB2 CYS 1 2HB CYS 1 -3.955 6.641 4.713 6 HB3 CYS 1 1HB CYS 1 -2.949 6.842 3.286 7 H GLN 2 H GLN 2 -4.502 6.268 0.778 8 HA GLN 2 HA GLN 2 -6.660 4.458 0.923 9 HB2 GLN 2 2HB GLN 2 -4.202 4.314 -0.847 10 HB3 GLN 2 1HB GLN 2 -5.534 3.182 -0.940 11 HG2 GLN 2 2HG GLN 2 -5.871 4.716 -2.684 12 HG3 GLN 2 1HG GLN 2 -7.021 5.167 -1.432 13 HE21 GLN 2 1HE2 GLN 2 -4.161 6.039 -3.130 14 HE22 GLN 2 2HE2 GLN 2 -4.070 7.664 -2.568 15 H THR 3 H THR 3 -6.867 2.495 1.630 16 HA THR 3 HA THR 3 -4.606 1.347 3.060 17 HB THR 3 HB THR 3 -7.556 0.752 3.432 18 HG1 THR 3 1HG THR 3 -6.946 2.963 3.834 19 HG21 THR 3 1HG2 THR 3 -5.138 0.303 5.206 20 HG22 THR 3 2HG2 THR 3 -5.987 -0.949 4.298 21 HG23 THR 3 3HG2 THR 3 -6.804 -0.104 5.614 22 H TRP 4 H TRP 4 -3.706 -0.176 1.948 23 HA TRP 4 HA TRP 4 -5.095 -1.489 -0.246 24 HB2 TRP 4 2HB TRP 4 -2.188 -1.514 0.556 25 HB3 TRP 4 1HB TRP 4 -2.860 -2.228 -0.905 26 HD1 TRP 4 HD TRP 4 -1.926 1.122 0.635 27 HE1 TRP 4 1HE TRP 4 -1.966 2.918 -1.217 28 HE3 TRP 4 3HE TRP 4 -3.970 -1.637 -3.137 29 HZ2 TRP 4 2HZ TRP 4 -2.750 3.130 -3.906 30 HZ3 TRP 4 3HZ TRP 4 -4.320 -0.563 -5.321 31 HH2 TRP 4 HH TRP 4 -3.718 1.775 -5.685 32 H ARG 5 H ARG 5 -6.026 -3.356 0.139 33 HA ARG 5 HA ARG 5 -4.866 -5.072 2.201 34 HB2 ARG 5 2HB ARG 5 -7.708 -4.925 1.212 35 HB3 ARG 5 1HB ARG 5 -7.117 -6.181 2.289 36 HG2 ARG 5 2HG ARG 5 -6.452 -4.375 3.889 37 HG3 ARG 5 1HG ARG 5 -7.271 -3.230 2.830 38 HD2 ARG 5 2HD ARG 5 -9.364 -4.377 3.151 39 HD3 ARG 5 1HD ARG 5 -8.557 -5.632 4.096 40 HE ARG 5 HE ARG 5 -8.187 -2.990 5.107 41 HH11 ARG 5 1HH1 ARG 5 -10.306 -5.811 5.158 42 HH12 ARG 5 2HH1 ARG 5 -10.992 -5.446 6.677 43 HH21 ARG 5 1HH2 ARG 5 -9.081 -2.513 7.227 44 HH22 ARG 5 2HH2 ARG 5 -10.291 -3.520 7.875 45 H DAR 6 H DAR 6 -4.536 -7.182 1.841 46 HA DAR 6 HA DAR 6 -5.230 -8.565 -0.494 47 HB2 DAR 6 1HB DAR 6 -3.623 -10.301 0.253 48 HB3 DAR 6 2HB DAR 6 -4.805 -9.823 1.458 49 HG2 DAR 6 1HG DAR 6 -3.138 -8.511 2.644 50 HG3 DAR 6 2HG DAR 6 -1.937 -8.907 1.411 51 HD2 DAR 6 1HD DAR 6 -2.070 -11.247 1.957 52 HD3 DAR 6 2HD DAR 6 -3.424 -10.947 3.036 53 HE DAR 6 HE DAR 6 -1.795 -9.636 4.410 54 HH11 DAR 6 1HH2 DAR 6 -0.368 -10.479 5.975 55 HH12 DAR 6 2HH2 DAR 6 0.658 -11.816 5.637 56 HH21 DAR 6 1HH1 DAR 6 -0.565 -12.178 2.323 57 HH22 DAR 6 2HH1 DAR 6 0.530 -12.797 3.468 58 H VAL 7 H VAL 7 -2.464 -6.624 0.195 59 HA VAL 7 HA VAL 7 -1.712 -7.026 -2.594 60 HB VAL 7 HB VAL 7 -0.418 -4.906 -2.418 61 HG11 VAL 7 1HG1 VAL 7 -3.322 -4.650 -1.651 62 HG12 VAL 7 2HG1 VAL 7 -2.706 -4.933 -3.275 63 HG13 VAL 7 3HG1 VAL 7 -2.341 -3.419 -2.455 64 HG21 VAL 7 1HG2 VAL 7 -0.775 -3.423 -0.499 65 HG22 VAL 7 2HG2 VAL 7 -0.011 -4.934 0.006 66 HG23 VAL 7 3HG2 VAL 7 -1.728 -4.676 0.295 67 H SER 8 H SER 8 0.313 -7.531 -3.231 68 HA SER 8 HA SER 8 1.947 -9.048 -1.534 69 HB2 SER 8 2HB SER 8 2.578 -7.747 -4.194 70 HB3 SER 8 1HB SER 8 3.421 -9.117 -3.467 71 HG SER 8 HG SER 8 1.758 -10.397 -3.864 72 HA PRO 9 HA PRO 9 4.430 -5.966 0.508 73 HB2 PRO 9 2HB PRO 9 6.959 -7.093 0.190 74 HB3 PRO 9 1HB PRO 9 5.825 -7.485 1.484 75 HG2 PRO 9 2HG PRO 9 6.345 -8.922 -1.082 76 HG3 PRO 9 1HG PRO 9 6.031 -9.585 0.533 77 HD2 PRO 9 2HD PRO 9 4.135 -9.570 -1.338 78 HD3 PRO 9 1HD PRO 9 3.736 -9.230 0.359 79 H GLU 10 H GLU 10 5.612 -7.124 -2.614 80 HA GLU 10 HA GLU 10 7.316 -4.934 -3.129 81 HB2 GLU 10 2HB GLU 10 5.979 -6.772 -5.109 82 HB3 GLU 10 1HB GLU 10 7.347 -5.720 -5.438 83 HG2 GLU 10 2HG GLU 10 8.658 -6.966 -3.756 84 HG3 GLU 10 1HG GLU 10 7.298 -8.073 -3.573 85 H GLU 11 H GLU 11 4.031 -5.675 -4.316 86 HA GLU 11 HA GLU 11 3.620 -3.243 -5.624 87 HB2 GLU 11 2HB GLU 11 1.662 -5.183 -4.399 88 HB3 GLU 11 1HB GLU 11 1.142 -3.734 -5.238 89 HG2 GLU 11 2HG GLU 11 2.775 -5.959 -6.441 90 HG3 GLU 11 1HG GLU 11 1.043 -5.728 -6.659 91 H CYS 12 H CYS 12 3.024 -4.190 -2.284 92 HA CYS 12 HA CYS 12 1.787 -1.850 -1.418 93 HB2 CYS 12 2HB CYS 12 1.868 -3.800 0.011 94 HB3 CYS 12 1HB CYS 12 3.624 -3.709 0.095 95 H ARG 13 H ARG 13 5.273 -2.661 -1.328 96 HA ARG 13 HA ARG 13 6.270 -0.259 -0.339 97 HB2 ARG 13 2HB ARG 13 7.652 -2.238 -0.570 98 HB3 ARG 13 1HB ARG 13 7.444 -2.234 -2.308 99 HG2 ARG 13 2HG ARG 13 9.645 -1.457 -1.793 100 HG3 ARG 13 1HG ARG 13 8.702 -0.104 -2.404 101 HD2 ARG 13 2HD ARG 13 8.324 0.654 -0.096 102 HD3 ARG 13 1HD ARG 13 9.323 -0.679 0.492 103 HE ARG 13 HE ARG 13 10.448 1.149 -1.455 104 HH11 ARG 13 1HH1 ARG 13 10.300 0.174 1.947 105 HH12 ARG 13 2HH1 ARG 13 11.756 0.935 2.392 106 HH21 ARG 13 1HH2 ARG 13 12.518 2.191 -0.808 107 HH22 ARG 13 2HH2 ARG 13 13.012 2.072 0.826 108 H LYS 14 H LYS 14 5.527 -1.240 -3.585 109 HA LYS 14 HA LYS 14 6.374 0.923 -5.110 110 HB2 LYS 14 2HB LYS 14 5.791 -1.175 -6.044 111 HB3 LYS 14 1HB LYS 14 4.203 -1.112 -5.338 112 HG2 LYS 14 2HG LYS 14 3.558 0.619 -6.921 113 HG3 LYS 14 1HG LYS 14 5.180 0.568 -7.638 114 HD2 LYS 14 2HD LYS 14 4.924 -1.743 -8.210 115 HD3 LYS 14 1HD LYS 14 3.402 -1.840 -7.340 116 HE2 LYS 14 2HE LYS 14 2.400 -0.331 -8.959 117 HE3 LYS 14 1HE LYS 14 3.935 -0.255 -9.843 118 HZ1 LYS 14 1HZ LYS 14 2.391 -2.736 -9.311 119 HZ2 LYS 14 2HZ LYS 14 3.788 -2.626 -10.212 120 HZ3 LYS 14 3HZ LYS 14 2.372 -1.914 -10.788 121 H TYR 15 H TYR 15 3.090 0.251 -3.828 122 HA TYR 15 HA TYR 15 1.980 2.689 -4.716 123 HB2 TYR 15 2HB TYR 15 0.995 0.997 -2.406 124 HB3 TYR 15 1HB TYR 15 0.061 2.178 -3.309 125 HD1 TYR 15 1HD TYR 15 0.924 1.391 -6.116 126 HD2 TYR 15 2HD TYR 15 -0.254 -0.942 -2.761 127 HE1 TYR 15 1HE TYR 15 0.197 -0.385 -7.617 128 HE2 TYR 15 2HE TYR 15 -0.981 -2.738 -4.258 129 HH TYR 15 HH TYR 15 -0.072 -2.983 -7.385 130 H LYS 16 H LYS 16 3.498 1.743 -1.720 131 HA LYS 16 HA LYS 16 2.877 4.076 -0.277 132 HB2 LYS 16 2HB LYS 16 5.194 2.177 0.081 133 HB3 LYS 16 1HB LYS 16 4.792 3.469 1.202 134 HG2 LYS 16 2HG LYS 16 2.632 2.436 1.652 135 HG3 LYS 16 1HG LYS 16 2.984 1.163 0.483 136 HD2 LYS 16 2HD LYS 16 3.400 0.296 2.669 137 HD3 LYS 16 1HD LYS 16 4.958 0.548 1.887 138 HE2 LYS 16 2HE LYS 16 5.078 1.303 4.166 139 HE3 LYS 16 1HE LYS 16 5.180 2.693 3.099 140 HZ1 LYS 16 1HZ LYS 16 3.722 3.098 4.972 141 HZ2 LYS 16 2HZ LYS 16 2.735 1.813 4.563 142 HZ3 LYS 16 3HZ LYS 16 2.821 3.163 3.557 143 H GLU 17 H GLU 17 5.714 3.272 -2.246 144 HA GLU 17 HA GLU 17 6.962 5.778 -1.773 145 HB2 GLU 17 2HB GLU 17 7.428 3.715 -3.922 146 HB3 GLU 17 1HB GLU 17 8.418 5.151 -3.722 147 HG2 GLU 17 2HG GLU 17 8.969 4.373 -1.424 148 HG3 GLU 17 1HG GLU 17 8.083 2.889 -1.765 149 H GLU 18 H GLU 18 4.641 4.656 -4.064 150 HA GLU 18 HA GLU 18 4.896 6.801 -5.910 151 HB2 GLU 18 2HB GLU 18 3.938 4.639 -6.549 152 HB3 GLU 18 1HB GLU 18 2.606 4.891 -5.439 153 HG2 GLU 18 2HG GLU 18 1.784 6.725 -6.742 154 HG3 GLU 18 1HG GLU 18 3.183 6.661 -7.804 155 H TYR 19 H TYR 19 2.527 6.098 -3.369 156 HA TYR 19 HA TYR 19 1.278 8.671 -3.849 157 HB2 TYR 19 2HB TYR 19 0.519 6.389 -2.072 158 HB3 TYR 19 1HB TYR 19 -0.348 7.915 -2.106 159 HD1 TYR 19 1HD TYR 19 -1.446 8.628 -4.221 160 HD2 TYR 19 2HD TYR 19 0.140 4.726 -3.707 161 HE1 TYR 19 1HE TYR 19 -2.843 7.843 -6.040 162 HE2 TYR 19 2HE TYR 19 -1.257 3.906 -5.541 163 HH TYR 19 HH TYR 19 -3.457 4.620 -6.591 164 H DSG 20 H DAS 20 2.919 7.081 -1.119 165 HA DSG 20 HA DAS 20 2.710 9.657 0.232 166 HB2 DSG 20 1HB DAS 20 4.948 7.638 0.427 167 HB3 DSG 20 2HB DAS 20 4.777 9.024 1.498 168 HD21 DSG 20 1HD2 DAS 20 4.949 11.104 0.609 169 HD22 DSG 20 2HD2 DAS 20 5.846 11.371 -0.838 170 H CYS 21 H CYS 21 1.135 9.473 1.582 171 HA CYS 21 HA CYS 21 1.288 7.452 3.602 172 HB2 CYS 21 2HB CYS 21 0.691 9.680 4.332 173 HB3 CYS 21 1HB CYS 21 -0.675 9.728 3.231 174 H VAL 22 H VAL 22 0.826 5.565 2.757 175 HA VAL 22 HA VAL 22 -1.959 4.998 2.438 176 HB VAL 22 HB VAL 22 -1.486 3.345 0.559 177 HG11 VAL 22 1HG1 VAL 22 -1.584 4.949 -1.277 178 HG12 VAL 22 2HG1 VAL 22 -1.068 6.230 -0.183 179 HG13 VAL 22 3HG1 VAL 22 -2.626 5.445 0.061 180 HG21 VAL 22 1HG2 VAL 22 0.915 3.232 0.749 181 HG22 VAL 22 2HG2 VAL 22 1.047 4.932 0.292 182 HG23 VAL 22 3HG2 VAL 22 0.461 3.745 -0.877 183 H ARG 23 H ARG 23 -2.449 3.022 3.302 184 HA ARG 23 HA ARG 23 -0.192 1.776 4.691 185 HB2 ARG 23 2HB ARG 23 -1.801 3.010 6.136 186 HB3 ARG 23 1HB ARG 23 -3.079 1.954 5.552 187 HG2 ARG 23 2HG ARG 23 -2.361 1.239 7.707 188 HG3 ARG 23 1HG ARG 23 -1.874 0.027 6.513 189 HD2 ARG 23 2HD ARG 23 0.374 1.090 6.449 190 HD3 ARG 23 1HD ARG 23 -0.142 2.155 7.752 191 HE ARG 23 HE ARG 23 -0.550 -0.464 8.553 192 HH11 ARG 23 1HH1 ARG 23 2.080 1.759 7.774 193 HH12 ARG 23 2HH1 ARG 23 3.245 0.989 8.742 194 HH21 ARG 23 1HH2 ARG 23 1.075 -1.560 9.936 195 HH22 ARG 23 2HH2 ARG 23 2.653 -0.925 10.008 196 H CYS 24 H CYS 24 -0.046 -0.442 4.521 197 HA CYS 24 HA CYS 24 -2.068 -1.735 2.851 198 HB2 CYS 24 2HB CYS 24 0.717 -2.676 3.560 199 HB3 CYS 24 1HB CYS 24 -0.380 -3.412 2.400 200 H THR 25 H THR 25 -2.880 -3.745 3.568 201 HA THR 25 HA THR 25 -2.461 -4.225 6.421 202 HB THR 25 HB THR 25 -4.758 -5.162 4.685 203 HG1 THR 25 1HG THR 25 -4.126 -2.775 5.653 204 HG21 THR 25 1HG2 THR 25 -4.388 -6.467 6.767 205 HG22 THR 25 2HG2 THR 25 -5.887 -5.543 6.842 206 HG23 THR 25 3HG2 THR 25 -4.459 -4.972 7.701 207 H GLU 26 H GLU 26 -0.641 -5.416 6.224 208 HA GLU 26 HA GLU 26 -0.604 -7.744 4.500 209 HB2 GLU 26 2HB GLU 26 1.515 -6.514 6.281 210 HB3 GLU 26 1HB GLU 26 1.767 -7.848 5.165 211 HG2 GLU 26 2HG GLU 26 1.398 -6.421 3.280 212 HG3 GLU 26 1HG GLU 26 0.888 -5.095 4.324 Start of MODEL 4 1 H1 CYS 1 1HT CYS 1 -4.585 8.859 4.362 2 H2 CYS 1 2HT CYS 1 -5.639 7.590 4.748 3 H3 CYS 1 3HT CYS 1 -5.876 8.447 3.346 4 HA CYS 1 HA CYS 1 -3.791 7.624 2.467 5 HB2 CYS 1 2HB CYS 1 -3.727 6.192 5.126 6 HB3 CYS 1 1HB CYS 1 -2.730 5.727 3.762 7 H GLN 2 H GLN 2 -4.379 6.231 0.834 8 HA GLN 2 HA GLN 2 -6.695 4.637 0.982 9 HB2 GLN 2 2HB GLN 2 -4.339 4.496 -0.917 10 HB3 GLN 2 1HB GLN 2 -5.723 3.438 -1.058 11 HG2 GLN 2 2HG GLN 2 -5.968 5.198 -2.641 12 HG3 GLN 2 1HG GLN 2 -7.151 5.454 -1.368 13 HE21 GLN 2 1HE2 GLN 2 -7.352 7.602 -1.856 14 HE22 GLN 2 2HE2 GLN 2 -6.121 8.758 -1.489 15 H THR 3 H THR 3 -7.038 2.707 1.862 16 HA THR 3 HA THR 3 -4.735 1.343 2.996 17 HB THR 3 HB THR 3 -7.695 0.939 3.516 18 HG1 THR 3 1HG THR 3 -6.537 3.004 4.081 19 HG21 THR 3 1HG2 THR 3 -6.924 -0.255 5.539 20 HG22 THR 3 2HG2 THR 3 -5.250 -0.006 5.052 21 HG23 THR 3 3HG2 THR 3 -6.305 -1.031 4.081 22 H TRP 4 H TRP 4 -4.009 -0.489 2.161 23 HA TRP 4 HA TRP 4 -5.595 -1.823 0.063 24 HB2 TRP 4 2HB TRP 4 -2.606 -1.940 0.466 25 HB3 TRP 4 1HB TRP 4 -3.527 -2.492 -0.921 26 HD1 TRP 4 HD TRP 4 -1.995 0.595 0.629 27 HE1 TRP 4 1HE TRP 4 -2.031 2.508 -1.089 28 HE3 TRP 4 3HE TRP 4 -4.887 -1.576 -2.984 29 HZ2 TRP 4 2HZ TRP 4 -3.089 3.037 -3.582 30 HZ3 TRP 4 3HZ TRP 4 -5.368 -0.282 -5.026 31 HH2 TRP 4 HH TRP 4 -4.488 1.978 -5.321 32 H ARG 5 H ARG 5 -6.446 -3.673 0.924 33 HA ARG 5 HA ARG 5 -4.810 -5.105 2.869 34 HB2 ARG 5 2HB ARG 5 -7.738 -5.467 2.185 35 HB3 ARG 5 1HB ARG 5 -6.848 -6.512 3.275 36 HG2 ARG 5 2HG ARG 5 -6.425 -4.485 4.707 37 HG3 ARG 5 1HG ARG 5 -7.561 -3.611 3.674 38 HD2 ARG 5 2HD ARG 5 -8.663 -4.466 5.677 39 HD3 ARG 5 1HD ARG 5 -9.294 -5.255 4.230 40 HE ARG 5 HE ARG 5 -7.138 -6.719 5.368 41 HH11 ARG 5 1HH1 ARG 5 -10.587 -6.121 5.912 42 HH12 ARG 5 2HH1 ARG 5 -10.872 -7.651 6.606 43 HH21 ARG 5 1HH2 ARG 5 -7.542 -8.786 6.310 44 HH22 ARG 5 2HH2 ARG 5 -9.131 -9.202 6.817 45 H DAR 6 H DAR 6 -3.807 -6.840 2.353 46 HA DAR 6 HA DAR 6 -4.679 -8.844 0.568 47 HB2 DAR 6 1HB DAR 6 -3.000 -9.237 2.402 48 HB3 DAR 6 2HB DAR 6 -1.853 -8.290 1.463 49 HG2 DAR 6 1HG DAR 6 -1.933 -9.882 -0.332 50 HG3 DAR 6 2HG DAR 6 -3.090 -10.866 0.557 51 HD2 DAR 6 1HD DAR 6 -0.973 -11.875 0.866 52 HD3 DAR 6 2HD DAR 6 -1.389 -11.075 2.374 53 HE DAR 6 HE DAR 6 0.136 -9.239 1.026 54 HH11 DAR 6 1HH2 DAR 6 2.495 -8.992 1.544 55 HH12 DAR 6 2HH2 DAR 6 3.336 -10.374 2.055 56 HH21 DAR 6 1HH1 DAR 6 0.615 -12.601 1.984 57 HH22 DAR 6 2HH1 DAR 6 2.276 -12.442 2.322 58 H VAL 7 H VAL 7 -1.953 -6.652 0.264 59 HA VAL 7 HA VAL 7 -1.966 -7.136 -2.611 60 HB VAL 7 HB VAL 7 -0.594 -5.000 -2.774 61 HG11 VAL 7 1HG1 VAL 7 -2.967 -4.958 -3.297 62 HG12 VAL 7 2HG1 VAL 7 -2.499 -3.459 -2.495 63 HG13 VAL 7 3HG1 VAL 7 -3.356 -4.712 -1.596 64 HG21 VAL 7 1HG2 VAL 7 0.182 -4.923 -0.435 65 HG22 VAL 7 2HG2 VAL 7 -1.477 -4.610 0.093 66 HG23 VAL 7 3HG2 VAL 7 -0.630 -3.424 -0.895 67 H SER 8 H SER 8 0.336 -7.258 -3.483 68 HA SER 8 HA SER 8 1.743 -8.944 -1.651 69 HB2 SER 8 2HB SER 8 3.311 -9.339 -3.583 70 HB3 SER 8 1HB SER 8 1.628 -9.697 -3.951 71 HG SER 8 HG SER 8 1.511 -7.645 -4.958 72 HA PRO 9 HA PRO 9 4.669 -6.397 0.315 73 HB2 PRO 9 2HB PRO 9 6.862 -7.810 -1.123 74 HB3 PRO 9 1HB PRO 9 6.687 -7.486 0.607 75 HG2 PRO 9 2HG PRO 9 6.195 -9.904 -0.361 76 HG3 PRO 9 1HG PRO 9 5.162 -9.220 0.900 77 HD2 PRO 9 2HD PRO 9 4.629 -9.572 -1.994 78 HD3 PRO 9 1HD PRO 9 3.511 -9.646 -0.619 79 H GLU 10 H GLU 10 5.707 -6.961 -3.050 80 HA GLU 10 HA GLU 10 7.155 -4.521 -3.116 81 HB2 GLU 10 2HB GLU 10 6.351 -6.340 -5.361 82 HB3 GLU 10 1HB GLU 10 7.431 -4.962 -5.524 83 HG2 GLU 10 2HG GLU 10 8.971 -5.960 -3.930 84 HG3 GLU 10 1HG GLU 10 7.891 -7.336 -3.746 85 H GLU 11 H GLU 11 3.895 -5.396 -4.008 86 HA GLU 11 HA GLU 11 3.339 -2.995 -5.428 87 HB2 GLU 11 2HB GLU 11 1.481 -4.795 -3.861 88 HB3 GLU 11 1HB GLU 11 0.952 -3.486 -4.907 89 HG2 GLU 11 2HG GLU 11 1.892 -4.614 -6.827 90 HG3 GLU 11 1HG GLU 11 2.501 -5.900 -5.785 91 H CYS 12 H CYS 12 2.953 -4.044 -2.101 92 HA CYS 12 HA CYS 12 1.959 -1.719 -0.964 93 HB2 CYS 12 2HB CYS 12 2.053 -3.706 0.360 94 HB3 CYS 12 1HB CYS 12 3.795 -3.838 0.149 95 H ARG 13 H ARG 13 5.366 -2.692 -1.397 96 HA ARG 13 HA ARG 13 6.628 -0.455 -0.385 97 HB2 ARG 13 2HB ARG 13 7.933 -2.369 -1.081 98 HB3 ARG 13 1HB ARG 13 7.417 -2.160 -2.755 99 HG2 ARG 13 2HG ARG 13 8.479 0.104 -2.688 100 HG3 ARG 13 1HG ARG 13 9.180 -0.351 -1.145 101 HD2 ARG 13 2HD ARG 13 10.429 -2.115 -2.182 102 HD3 ARG 13 1HD ARG 13 9.599 -1.850 -3.723 103 HE ARG 13 HE ARG 13 10.806 0.505 -2.705 104 HH11 ARG 13 1HH1 ARG 13 11.544 -2.429 -4.594 105 HH12 ARG 13 2HH1 ARG 13 12.837 -1.705 -5.433 106 HH21 ARG 13 1HH2 ARG 13 12.524 1.474 -3.924 107 HH22 ARG 13 2HH2 ARG 13 13.406 0.561 -5.054 108 H LYS 14 H LYS 14 5.591 -1.040 -3.720 109 HA LYS 14 HA LYS 14 6.463 1.426 -4.693 110 HB2 LYS 14 2HB LYS 14 4.413 -0.473 -5.826 111 HB3 LYS 14 1HB LYS 14 5.054 0.926 -6.681 112 HG2 LYS 14 2HG LYS 14 7.301 0.001 -6.563 113 HG3 LYS 14 1HG LYS 14 6.691 -1.385 -5.661 114 HD2 LYS 14 2HD LYS 14 5.294 -1.993 -7.608 115 HD3 LYS 14 1HD LYS 14 5.995 -0.640 -8.504 116 HE2 LYS 14 2HE LYS 14 8.225 -1.616 -8.229 117 HE3 LYS 14 1HE LYS 14 7.527 -2.961 -7.334 118 HZ1 LYS 14 1HZ LYS 14 7.920 -3.595 -9.602 119 HZ2 LYS 14 2HZ LYS 14 7.025 -2.307 -10.187 120 HZ3 LYS 14 3HZ LYS 14 6.262 -3.540 -9.350 121 H TYR 15 H TYR 15 3.332 0.447 -3.389 122 HA TYR 15 HA TYR 15 2.064 2.899 -4.006 123 HB2 TYR 15 2HB TYR 15 1.435 0.964 -1.758 124 HB3 TYR 15 1HB TYR 15 0.389 2.269 -2.296 125 HD1 TYR 15 1HD TYR 15 -0.250 -0.720 -2.108 126 HD2 TYR 15 2HD TYR 15 1.057 1.709 -5.348 127 HE1 TYR 15 1HE TYR 15 -1.300 -2.263 -3.699 128 HE2 TYR 15 2HE TYR 15 0.015 0.194 -6.924 129 HH TYR 15 HH TYR 15 -0.669 -2.121 -7.014 130 H LYS 16 H LYS 16 3.868 1.791 -1.193 131 HA LYS 16 HA LYS 16 3.423 4.135 0.359 132 HB2 LYS 16 2HB LYS 16 5.468 1.952 0.630 133 HB3 LYS 16 1HB LYS 16 5.287 3.268 1.779 134 HG2 LYS 16 2HG LYS 16 3.006 2.510 2.263 135 HG3 LYS 16 1HG LYS 16 3.206 1.196 1.104 136 HD2 LYS 16 2HD LYS 16 3.575 0.348 3.338 137 HD3 LYS 16 1HD LYS 16 5.094 0.334 2.451 138 HE2 LYS 16 2HE LYS 16 5.446 1.125 4.724 139 HE3 LYS 16 1HE LYS 16 5.765 2.424 3.584 140 HZ1 LYS 16 1HZ LYS 16 4.497 3.208 5.452 141 HZ2 LYS 16 2HZ LYS 16 3.295 2.067 5.201 142 HZ3 LYS 16 3HZ LYS 16 3.543 3.307 4.073 143 H GLU 17 H GLU 17 5.666 3.388 -2.131 144 HA GLU 17 HA GLU 17 7.196 5.749 -1.390 145 HB2 GLU 17 2HB GLU 17 7.754 3.626 -3.448 146 HB3 GLU 17 1HB GLU 17 8.737 5.071 -3.266 147 HG2 GLU 17 2HG GLU 17 9.125 4.393 -0.883 148 HG3 GLU 17 1HG GLU 17 8.320 2.872 -1.259 149 H GLU 18 H GLU 18 4.964 4.690 -3.844 150 HA GLU 18 HA GLU 18 5.473 6.983 -5.527 151 HB2 GLU 18 2HB GLU 18 4.905 4.731 -6.439 152 HB3 GLU 18 1HB GLU 18 3.298 4.905 -5.755 153 HG2 GLU 18 2HG GLU 18 3.192 5.429 -8.070 154 HG3 GLU 18 1HG GLU 18 2.993 6.930 -7.165 155 H TYR 19 H TYR 19 2.585 5.745 -3.778 156 HA TYR 19 HA TYR 19 1.175 8.180 -4.390 157 HB2 TYR 19 2HB TYR 19 0.338 5.877 -2.633 158 HB3 TYR 19 1HB TYR 19 -0.700 7.210 -3.114 159 HD1 TYR 19 1HD TYR 19 -0.351 3.939 -3.630 160 HD2 TYR 19 2HD TYR 19 -0.310 7.504 -5.937 161 HE1 TYR 19 1HE TYR 19 -1.036 2.666 -5.598 162 HE2 TYR 19 2HE TYR 19 -0.998 6.239 -7.914 163 HH TYR 19 HH TYR 19 -2.156 3.045 -7.716 164 H DSG 20 H DAS 20 2.793 6.778 -1.671 165 HA DSG 20 HA DAS 20 2.702 9.357 -0.390 166 HB2 DSG 20 1HB DAS 20 4.849 8.358 -0.851 167 HB3 DSG 20 2HB DAS 20 4.378 6.891 -0.015 168 HD21 DSG 20 1HD2 DAS 20 5.991 6.942 1.335 169 HD22 DSG 20 2HD2 DAS 20 6.119 8.075 2.637 170 H CYS 21 H CYS 21 0.694 9.326 0.503 171 HA CYS 21 HA CYS 21 0.462 7.971 3.002 172 HB2 CYS 21 2HB CYS 21 -0.224 10.255 2.871 173 HB3 CYS 21 1HB CYS 21 -1.312 9.933 1.540 174 H VAL 22 H VAL 22 0.333 5.842 2.479 175 HA VAL 22 HA VAL 22 -2.349 4.949 1.831 176 HB VAL 22 HB VAL 22 -1.508 3.024 0.546 177 HG11 VAL 22 1HG1 VAL 22 -0.907 4.153 -1.537 178 HG12 VAL 22 2HG1 VAL 22 -0.614 5.640 -0.634 179 HG13 VAL 22 3HG1 VAL 22 -2.242 4.966 -0.714 180 HG21 VAL 22 1HG2 VAL 22 0.769 2.979 -0.315 181 HG22 VAL 22 2HG2 VAL 22 0.725 2.841 1.451 182 HG23 VAL 22 3HG2 VAL 22 1.178 4.373 0.689 183 H ARG 23 H ARG 23 -2.689 2.746 2.647 184 HA ARG 23 HA ARG 23 -0.886 2.142 4.874 185 HB2 ARG 23 2HB ARG 23 -3.898 1.933 4.839 186 HB3 ARG 23 1HB ARG 23 -2.894 1.171 6.054 187 HG2 ARG 23 2HG ARG 23 -2.094 3.416 6.728 188 HG3 ARG 23 1HG ARG 23 -3.213 4.122 5.553 189 HD2 ARG 23 2HD ARG 23 -4.190 4.093 7.806 190 HD3 ARG 23 1HD ARG 23 -5.097 3.068 6.692 191 HE ARG 23 HE ARG 23 -3.089 1.977 8.548 192 HH11 ARG 23 1HH1 ARG 23 -6.417 1.902 7.268 193 HH12 ARG 23 2HH1 ARG 23 -6.812 0.458 8.079 194 HH21 ARG 23 1HH2 ARG 23 -3.702 -0.014 9.616 195 HH22 ARG 23 2HH2 ARG 23 -5.257 -0.664 9.394 196 H CYS 24 H CYS 24 -0.108 0.151 4.830 197 HA CYS 24 HA CYS 24 -1.259 -1.717 2.908 198 HB2 CYS 24 2HB CYS 24 1.375 -1.740 4.376 199 HB3 CYS 24 1HB CYS 24 0.813 -3.048 3.348 200 H THR 25 H THR 25 -2.327 -3.445 3.574 201 HA THR 25 HA THR 25 -1.854 -4.397 6.269 202 HB THR 25 HB THR 25 -4.570 -4.113 4.964 203 HG1 THR 25 1HG THR 25 -3.036 -2.391 6.412 204 HG21 THR 25 1HG2 THR 25 -3.787 -4.880 7.789 205 HG22 THR 25 2HG2 THR 25 -4.383 -5.990 6.554 206 HG23 THR 25 3HG2 THR 25 -5.436 -4.722 7.181 207 H GLU 26 H GLU 26 -0.617 -5.985 5.451 208 HA GLU 26 HA GLU 26 -1.622 -7.694 3.339 209 HB2 GLU 26 2HB GLU 26 1.034 -7.637 4.774 210 HB3 GLU 26 1HB GLU 26 0.642 -8.666 3.405 211 HG2 GLU 26 2HG GLU 26 0.430 -6.751 1.966 212 HG3 GLU 26 1HG GLU 26 0.645 -5.654 3.331 Start of MODEL 5 1 H1 CYS 1 1HT CYS 1 -5.467 9.366 3.964 2 H2 CYS 1 2HT CYS 1 -6.262 7.930 4.422 3 H3 CYS 1 3HT CYS 1 -6.528 8.567 2.907 4 HA CYS 1 HA CYS 1 -4.332 8.124 2.240 5 HB2 CYS 1 2HB CYS 1 -4.065 6.968 5.025 6 HB3 CYS 1 1HB CYS 1 -2.850 6.837 3.757 7 H GLN 2 H GLN 2 -4.380 6.371 0.923 8 HA GLN 2 HA GLN 2 -6.614 4.714 0.957 9 HB2 GLN 2 2HB GLN 2 -4.053 4.379 -0.598 10 HB3 GLN 2 1HB GLN 2 -5.514 3.457 -0.862 11 HG2 GLN 2 2HG GLN 2 -5.304 6.443 -1.152 12 HG3 GLN 2 1HG GLN 2 -5.198 5.288 -2.475 13 HE21 GLN 2 1HE2 GLN 2 -6.937 6.062 -3.514 14 HE22 GLN 2 2HE2 GLN 2 -8.565 5.902 -2.938 15 H THR 3 H THR 3 -7.003 2.716 1.612 16 HA THR 3 HA THR 3 -4.878 1.352 3.051 17 HB THR 3 HB THR 3 -6.990 1.817 4.328 18 HG1 THR 3 1HG THR 3 -7.210 -0.166 5.178 19 HG21 THR 3 1HG2 THR 3 -8.626 1.648 2.510 20 HG22 THR 3 2HG2 THR 3 -9.039 0.548 3.821 21 HG23 THR 3 3HG2 THR 3 -8.282 -0.074 2.355 22 H TRP 4 H TRP 4 -4.193 -0.613 2.381 23 HA TRP 4 HA TRP 4 -5.351 -1.630 -0.141 24 HB2 TRP 4 2HB TRP 4 -2.456 -1.779 0.702 25 HB3 TRP 4 1HB TRP 4 -3.144 -2.365 -0.796 26 HD1 TRP 4 HD TRP 4 -1.378 0.500 0.619 27 HE1 TRP 4 1HE TRP 4 -1.415 2.491 -1.018 28 HE3 TRP 4 3HE TRP 4 -4.991 -1.128 -2.557 29 HZ2 TRP 4 2HZ TRP 4 -2.794 3.278 -3.330 30 HZ3 TRP 4 3HZ TRP 4 -5.629 0.308 -4.471 31 HH2 TRP 4 HH TRP 4 -4.540 2.468 -4.834 32 H ARG 5 H ARG 5 -6.436 -3.454 0.395 33 HA ARG 5 HA ARG 5 -5.223 -5.292 2.313 34 HB2 ARG 5 2HB ARG 5 -7.939 -5.260 1.010 35 HB3 ARG 5 1HB ARG 5 -7.351 -6.615 1.956 36 HG2 ARG 5 2HG ARG 5 -7.134 -5.134 3.900 37 HG3 ARG 5 1HG ARG 5 -7.786 -3.807 2.938 38 HD2 ARG 5 2HD ARG 5 -9.504 -4.857 4.346 39 HD3 ARG 5 1HD ARG 5 -9.868 -5.014 2.629 40 HE ARG 5 HE ARG 5 -8.635 -7.311 3.107 41 HH11 ARG 5 1HH1 ARG 5 -11.172 -5.752 5.027 42 HH12 ARG 5 2HH1 ARG 5 -11.930 -7.203 5.482 43 HH21 ARG 5 1HH2 ARG 5 -9.671 -9.290 3.710 44 HH22 ARG 5 2HH2 ARG 5 -11.051 -9.295 4.708 45 H DAR 6 H DAR 6 -4.618 -7.345 1.823 46 HA DAR 6 HA DAR 6 -5.177 -8.716 -0.524 47 HB2 DAR 6 1HB DAR 6 -3.436 -10.314 0.142 48 HB3 DAR 6 2HB DAR 6 -4.532 -9.918 1.449 49 HG2 DAR 6 1HG DAR 6 -2.832 -8.421 2.424 50 HG3 DAR 6 2HG DAR 6 -1.726 -8.858 1.118 51 HD2 DAR 6 1HD DAR 6 -1.862 -11.202 1.796 52 HD3 DAR 6 2HD DAR 6 -2.952 -10.769 3.106 53 HE DAR 6 HE DAR 6 -0.817 -9.278 3.704 54 HH11 DAR 6 1HH2 DAR 6 0.944 -9.931 4.969 55 HH12 DAR 6 2HH2 DAR 6 1.484 -11.568 5.005 56 HH21 DAR 6 1HH1 DAR 6 -1.040 -12.688 2.782 57 HH22 DAR 6 2HH1 DAR 6 0.293 -13.159 3.724 58 H VAL 7 H VAL 7 -2.512 -6.562 0.108 59 HA VAL 7 HA VAL 7 -1.852 -6.859 -2.704 60 HB VAL 7 HB VAL 7 -0.504 -4.751 -2.433 61 HG11 VAL 7 1HG1 VAL 7 -2.794 -4.754 -3.316 62 HG12 VAL 7 2HG1 VAL 7 -2.431 -3.281 -2.431 63 HG13 VAL 7 3HG1 VAL 7 -3.421 -4.541 -1.680 64 HG21 VAL 7 1HG2 VAL 7 -1.866 -4.644 0.259 65 HG22 VAL 7 2HG2 VAL 7 -0.858 -3.377 -0.446 66 HG23 VAL 7 3HG2 VAL 7 -0.150 -4.933 -0.002 67 H SER 8 H SER 8 0.160 -7.248 -3.452 68 HA SER 8 HA SER 8 1.734 -8.995 -1.884 69 HB2 SER 8 2HB SER 8 2.340 -7.693 -4.547 70 HB3 SER 8 1HB SER 8 3.083 -9.153 -3.893 71 HG SER 8 HG SER 8 0.558 -9.598 -3.760 72 HA PRO 9 HA PRO 9 4.544 -6.320 0.288 73 HB2 PRO 9 2HB PRO 9 6.934 -7.586 -0.637 74 HB3 PRO 9 1HB PRO 9 6.111 -7.825 0.905 75 HG2 PRO 9 2HG PRO 9 6.002 -9.452 -1.561 76 HG3 PRO 9 1HG PRO 9 5.725 -9.933 0.115 77 HD2 PRO 9 2HD PRO 9 3.718 -9.709 -1.656 78 HD3 PRO 9 1HD PRO 9 3.495 -9.305 0.058 79 H GLU 10 H GLU 10 5.777 -7.157 -2.963 80 HA GLU 10 HA GLU 10 7.350 -4.864 -3.317 81 HB2 GLU 10 2HB GLU 10 7.606 -6.845 -4.721 82 HB3 GLU 10 1HB GLU 10 5.982 -6.596 -5.350 83 HG2 GLU 10 2HG GLU 10 6.686 -4.548 -6.428 84 HG3 GLU 10 1HG GLU 10 8.311 -4.745 -5.777 85 H GLU 11 H GLU 11 4.073 -5.538 -4.609 86 HA GLU 11 HA GLU 11 3.529 -3.032 -5.633 87 HB2 GLU 11 2HB GLU 11 1.780 -5.210 -4.580 88 HB3 GLU 11 1HB GLU 11 1.065 -3.654 -4.955 89 HG2 GLU 11 2HG GLU 11 0.862 -5.291 -6.788 90 HG3 GLU 11 1HG GLU 11 1.727 -3.835 -7.251 91 H CYS 12 H CYS 12 2.964 -4.198 -2.361 92 HA CYS 12 HA CYS 12 1.699 -1.926 -1.370 93 HB2 CYS 12 2HB CYS 12 1.696 -3.978 -0.109 94 HB3 CYS 12 1HB CYS 12 3.447 -3.928 0.055 95 H ARG 13 H ARG 13 5.187 -2.710 -1.343 96 HA ARG 13 HA ARG 13 5.963 -0.312 -0.046 97 HB2 ARG 13 2HB ARG 13 7.557 -2.038 -1.936 98 HB3 ARG 13 1HB ARG 13 8.229 -0.802 -0.885 99 HG2 ARG 13 2HG ARG 13 7.508 -2.089 1.065 100 HG3 ARG 13 1HG ARG 13 6.843 -3.324 -0.006 101 HD2 ARG 13 2HD ARG 13 9.721 -2.491 0.254 102 HD3 ARG 13 1HD ARG 13 9.028 -4.030 0.746 103 HE ARG 13 HE ARG 13 9.193 -3.102 -2.041 104 HH11 ARG 13 1HH1 ARG 13 9.311 -5.741 0.291 105 HH12 ARG 13 2HH1 ARG 13 9.882 -6.910 -0.806 106 HH21 ARG 13 1HH2 ARG 13 9.983 -4.698 -3.593 107 HH22 ARG 13 2HH2 ARG 13 10.261 -6.286 -3.070 108 H LYS 14 H LYS 14 5.536 -1.222 -3.378 109 HA LYS 14 HA LYS 14 6.526 1.097 -4.597 110 HB2 LYS 14 2HB LYS 14 6.260 -0.919 -5.856 111 HB3 LYS 14 1HB LYS 14 4.561 -1.004 -5.454 112 HG2 LYS 14 2HG LYS 14 4.027 0.755 -6.955 113 HG3 LYS 14 1HG LYS 14 5.727 1.172 -7.177 114 HD2 LYS 14 2HD LYS 14 4.724 -0.151 -9.075 115 HD3 LYS 14 1HD LYS 14 6.158 -0.869 -8.354 116 HE2 LYS 14 2HE LYS 14 4.744 -2.370 -7.043 117 HE3 LYS 14 1HE LYS 14 3.294 -1.663 -7.765 118 HZ1 LYS 14 1HZ LYS 14 3.965 -2.554 -9.891 119 HZ2 LYS 14 2HZ LYS 14 4.034 -3.802 -8.747 120 HZ3 LYS 14 3HZ LYS 14 5.439 -3.076 -9.261 121 H TYR 15 H TYR 15 3.209 0.230 -3.596 122 HA TYR 15 HA TYR 15 2.023 2.621 -4.446 123 HB2 TYR 15 2HB TYR 15 1.197 0.845 -2.129 124 HB3 TYR 15 1HB TYR 15 0.219 2.151 -2.775 125 HD1 TYR 15 1HD TYR 15 0.569 1.690 -5.717 126 HD2 TYR 15 2HD TYR 15 -0.080 -1.059 -2.537 127 HE1 TYR 15 1HE TYR 15 -0.477 0.139 -7.285 128 HE2 TYR 15 2HE TYR 15 -1.120 -2.630 -4.104 129 HH TYR 15 HH TYR 15 -2.278 -2.518 -6.276 130 H LYS 16 H LYS 16 3.477 1.740 -1.364 131 HA LYS 16 HA LYS 16 3.027 4.175 -0.033 132 HB2 LYS 16 2HB LYS 16 5.194 2.099 0.321 133 HB3 LYS 16 1HB LYS 16 4.972 3.455 1.415 134 HG2 LYS 16 2HG LYS 16 2.801 2.664 2.060 135 HG3 LYS 16 1HG LYS 16 2.843 1.408 0.825 136 HD2 LYS 16 2HD LYS 16 4.705 0.326 1.995 137 HD3 LYS 16 1HD LYS 16 4.685 1.617 3.199 138 HE2 LYS 16 2HE LYS 16 2.511 0.979 3.960 139 HE3 LYS 16 1HE LYS 16 2.321 -0.163 2.633 140 HZ1 LYS 16 1HZ LYS 16 2.887 -1.354 4.657 141 HZ2 LYS 16 2HZ LYS 16 4.286 -0.421 4.868 142 HZ3 LYS 16 3HZ LYS 16 4.152 -1.451 3.563 143 H GLU 17 H GLU 17 5.601 3.136 -2.112 144 HA GLU 17 HA GLU 17 7.356 5.307 -1.815 145 HB2 GLU 17 2HB GLU 17 7.972 3.145 -2.774 146 HB3 GLU 17 1HB GLU 17 6.912 3.441 -4.136 147 HG2 GLU 17 2HG GLU 17 8.322 5.350 -4.778 148 HG3 GLU 17 1HG GLU 17 9.409 4.960 -3.444 149 H GLU 18 H GLU 18 4.866 4.655 -4.282 150 HA GLU 18 HA GLU 18 5.437 7.127 -5.655 151 HB2 GLU 18 2HB GLU 18 3.150 5.228 -6.175 152 HB3 GLU 18 1HB GLU 18 3.797 6.439 -7.270 153 HG2 GLU 18 2HG GLU 18 5.942 5.182 -7.275 154 HG3 GLU 18 1HG GLU 18 5.143 3.936 -6.322 155 H TYR 19 H TYR 19 2.818 5.916 -3.620 156 HA TYR 19 HA TYR 19 1.204 8.232 -4.203 157 HB2 TYR 19 2HB TYR 19 0.685 5.821 -2.470 158 HB3 TYR 19 1HB TYR 19 -0.460 7.139 -2.674 159 HD1 TYR 19 1HD TYR 19 -2.046 6.982 -4.360 160 HD2 TYR 19 2HD TYR 19 1.509 4.677 -4.709 161 HE1 TYR 19 1HE TYR 19 -2.942 5.902 -6.363 162 HE2 TYR 19 2HE TYR 19 0.635 3.592 -6.702 163 HH TYR 19 HH TYR 19 -1.714 3.119 -7.687 164 H DSG 20 H DAS 20 3.006 6.995 -1.406 165 HA DSG 20 HA DAS 20 2.443 9.582 -0.174 166 HB2 DSG 20 1HB DAS 20 4.964 7.938 -0.066 167 HB3 DSG 20 2HB DAS 20 4.627 9.213 1.100 168 HD21 DSG 20 1HD2 DAS 20 5.477 8.506 -2.197 169 HD22 DSG 20 2HD2 DAS 20 5.802 10.128 -2.654 170 H CYS 21 H CYS 21 0.885 9.298 1.179 171 HA CYS 21 HA CYS 21 1.347 7.512 3.397 172 HB2 CYS 21 2HB CYS 21 0.725 9.807 3.926 173 HB3 CYS 21 1HB CYS 21 -0.745 9.653 2.972 174 H VAL 22 H VAL 22 0.782 5.488 2.862 175 HA VAL 22 HA VAL 22 -2.022 4.956 2.468 176 HB VAL 22 HB VAL 22 -1.571 3.191 0.737 177 HG11 VAL 22 1HG1 VAL 22 -0.776 5.942 -0.194 178 HG12 VAL 22 2HG1 VAL 22 -2.423 5.377 0.029 179 HG13 VAL 22 3HG1 VAL 22 -1.400 4.639 -1.210 180 HG21 VAL 22 1HG2 VAL 22 1.129 4.482 0.584 181 HG22 VAL 22 2HG2 VAL 22 0.511 3.284 -0.557 182 HG23 VAL 22 3HG2 VAL 22 0.783 2.841 1.132 183 H ARG 23 H ARG 23 -2.559 2.789 3.135 184 HA ARG 23 HA ARG 23 -0.450 1.554 4.724 185 HB2 ARG 23 2HB ARG 23 -1.682 2.868 6.284 186 HB3 ARG 23 1HB ARG 23 -3.213 2.300 5.645 187 HG2 ARG 23 2HG ARG 23 -3.004 0.234 6.685 188 HG3 ARG 23 1HG ARG 23 -1.265 0.426 6.924 189 HD2 ARG 23 2HD ARG 23 -3.337 2.173 8.242 190 HD3 ARG 23 1HD ARG 23 -2.651 0.733 9.001 191 HE ARG 23 HE ARG 23 -0.444 2.004 8.385 192 HH11 ARG 23 1HH1 ARG 23 -3.347 3.391 9.850 193 HH12 ARG 23 2HH1 ARG 23 -2.477 4.594 10.696 194 HH21 ARG 23 1HH2 ARG 23 0.696 3.624 9.542 195 HH22 ARG 23 2HH2 ARG 23 -0.163 4.742 10.507 196 H CYS 24 H CYS 24 -0.254 -0.493 4.393 197 HA CYS 24 HA CYS 24 -2.320 -1.876 2.859 198 HB2 CYS 24 2HB CYS 24 0.448 -2.814 3.607 199 HB3 CYS 24 1HB CYS 24 -0.642 -3.550 2.447 200 H THR 25 H THR 25 -3.143 -3.843 3.626 201 HA THR 25 HA THR 25 -2.849 -4.350 6.422 202 HB THR 25 HB THR 25 -4.138 -6.080 4.268 203 HG1 THR 25 1HG THR 25 -4.878 -3.700 5.336 204 HG21 THR 25 1HG2 THR 25 -5.429 -7.010 6.156 205 HG22 THR 25 2HG2 THR 25 -4.543 -5.965 7.268 206 HG23 THR 25 3HG2 THR 25 -3.697 -7.239 6.393 207 H GLU 26 H GLU 26 -0.868 -4.894 6.878 208 HA GLU 26 HA GLU 26 1.069 -5.842 5.131 209 HB2 GLU 26 2HB GLU 26 1.080 -5.939 8.138 210 HB3 GLU 26 1HB GLU 26 2.488 -6.043 7.098 211 HG2 GLU 26 2HG GLU 26 0.669 -3.642 7.353 212 HG3 GLU 26 1HG GLU 26 2.226 -3.822 8.146 Start of MODEL 6 1 H1 CYS 1 1HT CYS 1 -5.294 10.378 2.684 2 H2 CYS 1 2HT CYS 1 -6.621 9.329 2.773 3 H3 CYS 1 3HT CYS 1 -5.947 9.672 1.284 4 HA CYS 1 HA CYS 1 -3.976 8.518 1.836 5 HB2 CYS 1 2HB CYS 1 -5.397 7.976 4.464 6 HB3 CYS 1 1HB CYS 1 -3.858 7.281 3.964 7 H GLN 2 H GLN 2 -3.913 6.103 1.653 8 HA GLN 2 HA GLN 2 -6.583 5.053 1.073 9 HB2 GLN 2 2HB GLN 2 -4.090 4.731 -0.605 10 HB3 GLN 2 1HB GLN 2 -5.490 3.687 -0.765 11 HG2 GLN 2 2HG GLN 2 -5.519 6.674 -1.132 12 HG3 GLN 2 1HG GLN 2 -5.451 5.487 -2.436 13 HE21 GLN 2 1HE2 GLN 2 -7.490 7.506 -1.827 14 HE22 GLN 2 2HE2 GLN 2 -8.966 6.622 -1.688 15 H THR 3 H THR 3 -6.825 2.770 1.269 16 HA THR 3 HA THR 3 -4.829 1.564 3.040 17 HB THR 3 HB THR 3 -7.812 1.004 2.955 18 HG1 THR 3 1HG THR 3 -6.969 3.148 3.773 19 HG21 THR 3 1HG2 THR 3 -5.675 0.201 4.953 20 HG22 THR 3 2HG2 THR 3 -6.442 -0.875 3.786 21 HG23 THR 3 3HG2 THR 3 -7.395 -0.164 5.087 22 H TRP 4 H TRP 4 -4.112 -0.434 2.441 23 HA TRP 4 HA TRP 4 -5.232 -1.589 -0.022 24 HB2 TRP 4 2HB TRP 4 -2.343 -1.603 0.882 25 HB3 TRP 4 1HB TRP 4 -2.981 -2.283 -0.611 26 HD1 TRP 4 HD TRP 4 -1.763 0.923 0.899 27 HE1 TRP 4 1HE TRP 4 -1.868 2.802 -0.874 28 HE3 TRP 4 3HE TRP 4 -4.421 -1.501 -2.701 29 HZ2 TRP 4 2HZ TRP 4 -2.922 3.195 -3.415 30 HZ3 TRP 4 3HZ TRP 4 -4.944 -0.306 -4.789 31 HH2 TRP 4 HH TRP 4 -4.208 1.993 -5.130 32 H ARG 5 H ARG 5 -5.821 -3.668 0.162 33 HA ARG 5 HA ARG 5 -4.774 -5.225 2.397 34 HB2 ARG 5 2HB ARG 5 -7.685 -5.039 1.558 35 HB3 ARG 5 1HB ARG 5 -7.060 -6.237 2.680 36 HG2 ARG 5 2HG ARG 5 -6.411 -4.456 4.228 37 HG3 ARG 5 1HG ARG 5 -7.008 -3.249 3.093 38 HD2 ARG 5 2HD ARG 5 -8.634 -3.614 4.849 39 HD3 ARG 5 1HD ARG 5 -9.273 -4.196 3.316 40 HE ARG 5 HE ARG 5 -8.308 -6.447 4.289 41 HH11 ARG 5 1HH1 ARG 5 -10.169 -3.954 5.986 42 HH12 ARG 5 2HH1 ARG 5 -10.864 -5.024 7.101 43 HH21 ARG 5 1HH2 ARG 5 -9.330 -7.953 5.844 44 HH22 ARG 5 2HH2 ARG 5 -10.406 -7.327 6.997 45 H DAR 6 H DAR 6 -4.114 -7.185 1.827 46 HA DAR 6 HA DAR 6 -5.133 -8.659 -0.390 47 HB2 DAR 6 1HB DAR 6 -2.523 -8.988 1.092 48 HB3 DAR 6 2HB DAR 6 -3.174 -10.132 -0.059 49 HG2 DAR 6 1HG DAR 6 -5.032 -10.611 1.409 50 HG3 DAR 6 2HG DAR 6 -4.406 -9.449 2.586 51 HD2 DAR 6 1HD DAR 6 -2.295 -10.735 2.655 52 HD3 DAR 6 2HD DAR 6 -3.006 -11.921 1.568 53 HE DAR 6 HE DAR 6 -4.748 -12.067 3.453 54 HH11 DAR 6 1HH2 DAR 6 -4.644 -13.203 5.486 55 HH12 DAR 6 2HH2 DAR 6 -3.158 -13.412 6.299 56 HH21 DAR 6 1HH1 DAR 6 -1.233 -11.671 3.854 57 HH22 DAR 6 2HH1 DAR 6 -1.168 -12.501 5.344 58 H VAL 7 H VAL 7 -1.950 -7.245 0.217 59 HA VAL 7 HA VAL 7 -1.517 -7.037 -2.658 60 HB VAL 7 HB VAL 7 -0.174 -4.962 -2.223 61 HG11 VAL 7 1HG1 VAL 7 -3.057 -4.767 -1.370 62 HG12 VAL 7 2HG1 VAL 7 -2.457 -4.793 -3.028 63 HG13 VAL 7 3HG1 VAL 7 -2.055 -3.442 -1.971 64 HG21 VAL 7 1HG2 VAL 7 -1.419 -5.105 0.522 65 HG22 VAL 7 2HG2 VAL 7 -0.492 -3.748 -0.116 66 HG23 VAL 7 3HG2 VAL 7 0.293 -5.307 0.148 67 H SER 8 H SER 8 0.638 -7.338 -3.280 68 HA SER 8 HA SER 8 2.120 -9.135 -1.581 69 HB2 SER 8 2HB SER 8 3.004 -7.953 -4.217 70 HB3 SER 8 1HB SER 8 3.396 -9.533 -3.536 71 HG SER 8 HG SER 8 1.003 -8.600 -4.645 72 HA PRO 9 HA PRO 9 4.976 -6.212 0.349 73 HB2 PRO 9 2HB PRO 9 7.152 -7.839 -0.899 74 HB3 PRO 9 1HB PRO 9 7.001 -7.285 0.772 75 HG2 PRO 9 2HG PRO 9 6.436 -9.799 0.211 76 HG3 PRO 9 1HG PRO 9 5.371 -8.883 1.292 77 HD2 PRO 9 2HD PRO 9 4.960 -9.640 -1.572 78 HD3 PRO 9 1HD PRO 9 3.790 -9.570 -0.236 79 H GLU 10 H GLU 10 5.978 -7.199 -2.927 80 HA GLU 10 HA GLU 10 7.446 -4.910 -3.596 81 HB2 GLU 10 2HB GLU 10 5.902 -6.805 -5.361 82 HB3 GLU 10 1HB GLU 10 6.874 -5.495 -6.006 83 HG2 GLU 10 2HG GLU 10 8.074 -7.581 -6.137 84 HG3 GLU 10 1HG GLU 10 8.869 -6.508 -4.993 85 H GLU 11 H GLU 11 4.038 -5.628 -4.014 86 HA GLU 11 HA GLU 11 3.326 -3.205 -5.304 87 HB2 GLU 11 2HB GLU 11 1.617 -5.010 -3.596 88 HB3 GLU 11 1HB GLU 11 1.031 -3.783 -4.704 89 HG2 GLU 11 2HG GLU 11 1.980 -5.047 -6.571 90 HG3 GLU 11 1HG GLU 11 2.527 -6.277 -5.431 91 H CYS 12 H CYS 12 3.360 -4.327 -2.001 92 HA CYS 12 HA CYS 12 2.095 -2.245 -0.694 93 HB2 CYS 12 2HB CYS 12 2.779 -4.449 0.282 94 HB3 CYS 12 1HB CYS 12 4.434 -3.856 0.342 95 H ARG 13 H ARG 13 5.615 -2.669 -1.250 96 HA ARG 13 HA ARG 13 6.196 -0.106 -0.254 97 HB2 ARG 13 2HB ARG 13 7.914 -1.893 -0.350 98 HB3 ARG 13 1HB ARG 13 7.908 -1.784 -2.104 99 HG2 ARG 13 2HG ARG 13 9.816 -0.584 -1.141 100 HG3 ARG 13 1HG ARG 13 8.730 0.514 -1.990 101 HD2 ARG 13 2HD ARG 13 7.728 1.186 0.140 102 HD3 ARG 13 1HD ARG 13 8.781 0.084 1.009 103 HE ARG 13 HE ARG 13 9.660 2.472 -0.474 104 HH11 ARG 13 1HH1 ARG 13 10.112 0.182 2.228 105 HH12 ARG 13 2HH1 ARG 13 11.390 1.060 2.916 106 HH21 ARG 13 1HH2 ARG 13 11.370 3.668 0.500 107 HH22 ARG 13 2HH2 ARG 13 12.128 3.108 1.925 108 H LYS 14 H LYS 14 5.517 -1.344 -3.475 109 HA LYS 14 HA LYS 14 6.109 0.927 -4.950 110 HB2 LYS 14 2HB LYS 14 5.559 -1.111 -6.107 111 HB3 LYS 14 1HB LYS 14 3.978 -1.165 -5.358 112 HG2 LYS 14 2HG LYS 14 3.896 -0.522 -7.738 113 HG3 LYS 14 1HG LYS 14 3.216 0.705 -6.674 114 HD2 LYS 14 2HD LYS 14 4.570 1.711 -8.440 115 HD3 LYS 14 1HD LYS 14 5.294 1.999 -6.861 116 HE2 LYS 14 2HE LYS 14 6.870 0.182 -7.250 117 HE3 LYS 14 1HE LYS 14 6.127 -0.140 -8.815 118 HZ1 LYS 14 1HZ LYS 14 6.773 2.055 -9.533 119 HZ2 LYS 14 2HZ LYS 14 8.115 1.179 -9.036 120 HZ3 LYS 14 3HZ LYS 14 7.492 2.384 -8.036 121 H TYR 15 H TYR 15 3.038 0.103 -3.341 122 HA TYR 15 HA TYR 15 1.771 2.499 -4.081 123 HB2 TYR 15 2HB TYR 15 1.192 0.698 -1.726 124 HB3 TYR 15 1HB TYR 15 0.152 2.012 -2.259 125 HD1 TYR 15 1HD TYR 15 0.114 -1.294 -2.162 126 HD2 TYR 15 2HD TYR 15 0.080 1.734 -5.145 127 HE1 TYR 15 1HE TYR 15 -1.003 -2.833 -3.714 128 HE2 TYR 15 2HE TYR 15 -1.036 0.215 -6.693 129 HH TYR 15 HH TYR 15 -1.230 -2.249 -7.000 130 H LYS 16 H LYS 16 3.727 1.664 -1.283 131 HA LYS 16 HA LYS 16 3.373 4.110 0.053 132 HB2 LYS 16 2HB LYS 16 5.682 2.178 0.110 133 HB3 LYS 16 1HB LYS 16 5.594 3.600 1.139 134 HG2 LYS 16 2HG LYS 16 3.487 2.746 2.089 135 HG3 LYS 16 1HG LYS 16 3.658 1.305 1.093 136 HD2 LYS 16 2HD LYS 16 5.666 0.668 2.222 137 HD3 LYS 16 1HD LYS 16 5.729 2.206 3.084 138 HE2 LYS 16 2HE LYS 16 3.546 0.148 3.373 139 HE3 LYS 16 1HE LYS 16 4.893 0.357 4.491 140 HZ1 LYS 16 1HZ LYS 16 2.798 2.411 3.912 141 HZ2 LYS 16 2HZ LYS 16 4.115 2.618 4.917 142 HZ3 LYS 16 3HZ LYS 16 2.950 1.494 5.317 143 H GLU 17 H GLU 17 5.826 3.127 -2.280 144 HA GLU 17 HA GLU 17 7.252 5.554 -2.351 145 HB2 GLU 17 2HB GLU 17 6.880 3.432 -4.461 146 HB3 GLU 17 1HB GLU 17 8.044 4.741 -4.563 147 HG2 GLU 17 2HG GLU 17 8.001 2.648 -2.409 148 HG3 GLU 17 1HG GLU 17 9.024 2.591 -3.840 149 H GLU 18 H GLU 18 4.587 4.322 -4.291 150 HA GLU 18 HA GLU 18 4.518 6.381 -6.203 151 HB2 GLU 18 2HB GLU 18 3.537 4.055 -6.364 152 HB3 GLU 18 1HB GLU 18 2.218 4.631 -5.362 153 HG2 GLU 18 2HG GLU 18 1.475 4.711 -7.600 154 HG3 GLU 18 1HG GLU 18 1.785 6.376 -7.109 155 H TYR 19 H TYR 19 2.609 5.865 -3.243 156 HA TYR 19 HA TYR 19 1.285 8.407 -3.822 157 HB2 TYR 19 2HB TYR 19 0.366 6.125 -2.100 158 HB3 TYR 19 1HB TYR 19 -0.481 7.658 -2.262 159 HD1 TYR 19 1HD TYR 19 -1.197 8.347 -4.641 160 HD2 TYR 19 2HD TYR 19 -0.074 4.378 -3.597 161 HE1 TYR 19 1HE TYR 19 -2.390 7.504 -6.607 162 HE2 TYR 19 2HE TYR 19 -1.262 3.519 -5.570 163 HH TYR 19 HH TYR 19 -3.183 4.297 -7.026 164 H DSG 20 H DAS 20 2.359 6.690 -0.849 165 HA DSG 20 HA DAS 20 2.471 9.352 0.363 166 HB2 DSG 20 1HB DAS 20 4.577 7.206 0.717 167 HB3 DSG 20 2HB DAS 20 4.449 8.619 1.752 168 HD21 DSG 20 1HD2 DAS 20 5.369 7.440 -1.315 169 HD22 DSG 20 2HD2 DAS 20 6.157 8.856 -1.907 170 H CYS 21 H CYS 21 0.762 9.310 1.600 171 HA CYS 21 HA CYS 21 0.746 7.676 3.928 172 HB2 CYS 21 2HB CYS 21 -0.037 10.009 4.002 173 HB3 CYS 21 1HB CYS 21 -1.346 9.606 2.904 174 H VAL 22 H VAL 22 0.483 5.574 3.327 175 HA VAL 22 HA VAL 22 -2.196 4.830 2.580 176 HB VAL 22 HB VAL 22 -1.424 3.095 0.959 177 HG11 VAL 22 1HG1 VAL 22 -0.674 5.890 0.138 178 HG12 VAL 22 2HG1 VAL 22 -2.293 5.209 0.124 179 HG13 VAL 22 3HG1 VAL 22 -1.057 4.559 -0.957 180 HG21 VAL 22 1HG2 VAL 22 0.786 3.262 -0.073 181 HG22 VAL 22 2HG2 VAL 22 0.905 2.864 1.645 182 HG23 VAL 22 3HG2 VAL 22 1.239 4.508 1.092 183 H ARG 23 H ARG 23 -2.930 3.290 3.798 184 HA ARG 23 HA ARG 23 -1.110 1.962 5.619 185 HB2 ARG 23 2HB ARG 23 -4.122 1.857 5.414 186 HB3 ARG 23 1HB ARG 23 -3.185 0.991 6.615 187 HG2 ARG 23 2HG ARG 23 -2.377 3.138 7.492 188 HG3 ARG 23 1HG ARG 23 -3.390 3.982 6.322 189 HD2 ARG 23 2HD ARG 23 -4.306 2.123 8.518 190 HD3 ARG 23 1HD ARG 23 -4.540 3.868 8.461 191 HE ARG 23 HE ARG 23 -5.766 3.150 6.250 192 HH11 ARG 23 1HH1 ARG 23 -5.980 1.772 9.481 193 HH12 ARG 23 2HH1 ARG 23 -7.525 1.100 9.274 194 HH21 ARG 23 1HH2 ARG 23 -7.899 2.270 5.957 195 HH22 ARG 23 2HH2 ARG 23 -8.693 1.445 7.232 196 H CYS 24 H CYS 24 -0.120 0.313 4.824 197 HA CYS 24 HA CYS 24 -1.435 -1.337 2.837 198 HB2 CYS 24 2HB CYS 24 0.758 -0.481 2.260 199 HB3 CYS 24 1HB CYS 24 1.437 -1.164 3.731 200 H THR 25 H THR 25 -2.576 -2.962 3.697 201 HA THR 25 HA THR 25 -1.510 -4.311 6.048 202 HB THR 25 HB THR 25 -4.276 -4.537 4.843 203 HG1 THR 25 1HG THR 25 -3.160 -2.602 6.537 204 HG21 THR 25 1HG2 THR 25 -3.560 -6.338 6.360 205 HG22 THR 25 2HG2 THR 25 -4.861 -5.374 7.054 206 HG23 THR 25 3HG2 THR 25 -3.202 -5.138 7.605 207 H GLU 26 H GLU 26 -0.455 -6.151 5.516 208 HA GLU 26 HA GLU 26 -1.240 -7.569 3.088 209 HB2 GLU 26 2HB GLU 26 1.226 -6.898 3.649 210 HB3 GLU 26 1HB GLU 26 1.143 -8.137 4.882 211 HG2 GLU 26 2HG GLU 26 0.720 -8.673 1.942 212 HG3 GLU 26 1HG GLU 26 2.280 -8.786 2.736 Start of MODEL 7 1 H1 CYS 1 1HT CYS 1 -4.461 9.190 4.126 2 H2 CYS 1 2HT CYS 1 -5.645 8.003 4.413 3 H3 CYS 1 3HT CYS 1 -5.495 8.688 2.893 4 HA CYS 1 HA CYS 1 -3.392 7.709 2.562 5 HB2 CYS 1 2HB CYS 1 -3.788 6.443 5.294 6 HB3 CYS 1 1HB CYS 1 -2.411 6.239 4.224 7 H GLN 2 H GLN 2 -4.064 6.402 0.997 8 HA GLN 2 HA GLN 2 -6.391 4.836 0.994 9 HB2 GLN 2 2HB GLN 2 -3.910 4.734 -0.709 10 HB3 GLN 2 1HB GLN 2 -5.274 3.663 -0.976 11 HG2 GLN 2 2HG GLN 2 -5.394 6.670 -1.050 12 HG3 GLN 2 1HG GLN 2 -5.285 5.615 -2.462 13 HE21 GLN 2 1HE2 GLN 2 -7.369 7.477 -1.799 14 HE22 GLN 2 2HE2 GLN 2 -8.826 6.561 -1.661 15 H THR 3 H THR 3 -6.831 2.751 1.561 16 HA THR 3 HA THR 3 -4.611 1.258 2.728 17 HB THR 3 HB THR 3 -7.591 0.872 3.151 18 HG1 THR 3 1HG THR 3 -6.647 2.800 3.996 19 HG21 THR 3 1HG2 THR 3 -6.282 -1.202 3.484 20 HG22 THR 3 2HG2 THR 3 -6.895 -0.587 5.020 21 HG23 THR 3 3HG2 THR 3 -5.204 -0.342 4.583 22 H TRP 4 H TRP 4 -3.820 -0.297 1.607 23 HA TRP 4 HA TRP 4 -5.339 -1.413 -0.615 24 HB2 TRP 4 2HB TRP 4 -2.393 -1.656 0.011 25 HB3 TRP 4 1HB TRP 4 -3.204 -2.137 -1.481 26 HD1 TRP 4 HD TRP 4 -1.720 0.824 0.267 27 HE1 TRP 4 1HE TRP 4 -1.861 2.883 -1.256 28 HE3 TRP 4 3HE TRP 4 -4.722 -1.078 -3.378 29 HZ2 TRP 4 2HZ TRP 4 -3.059 3.612 -3.657 30 HZ3 TRP 4 3HZ TRP 4 -5.335 0.375 -5.281 31 HH2 TRP 4 HH TRP 4 -4.519 2.676 -5.417 32 H ARG 5 H ARG 5 -6.380 -3.157 -0.108 33 HA ARG 5 HA ARG 5 -5.373 -4.757 2.087 34 HB2 ARG 5 2HB ARG 5 -8.111 -4.707 0.825 35 HB3 ARG 5 1HB ARG 5 -7.644 -5.700 2.201 36 HG2 ARG 5 2HG ARG 5 -7.143 -3.665 3.488 37 HG3 ARG 5 1HG ARG 5 -7.671 -2.688 2.119 38 HD2 ARG 5 2HD ARG 5 -9.432 -2.865 3.765 39 HD3 ARG 5 1HD ARG 5 -9.891 -3.698 2.279 40 HE ARG 5 HE ARG 5 -8.783 -5.159 4.574 41 HH11 ARG 5 1HH1 ARG 5 -11.392 -4.635 2.250 42 HH12 ARG 5 2HH1 ARG 5 -12.253 -6.028 2.665 43 HH21 ARG 5 1HH2 ARG 5 -9.994 -7.087 5.195 44 HH22 ARG 5 2HH2 ARG 5 -11.443 -7.452 4.398 45 H DAR 6 H DAR 6 -4.281 -6.461 1.633 46 HA DAR 6 HA DAR 6 -5.182 -8.316 -0.384 47 HB2 DAR 6 1HB DAR 6 -2.899 -8.466 1.583 48 HB3 DAR 6 2HB DAR 6 -3.398 -9.772 0.514 49 HG2 DAR 6 1HG DAR 6 -5.532 -9.922 1.618 50 HG3 DAR 6 2HG DAR 6 -5.139 -8.532 2.631 51 HD2 DAR 6 1HD DAR 6 -3.309 -9.765 3.649 52 HD3 DAR 6 2HD DAR 6 -3.647 -11.150 2.609 53 HE DAR 6 HE DAR 6 -5.959 -10.961 3.747 54 HH11 DAR 6 1HH2 DAR 6 -6.641 -11.845 5.806 55 HH12 DAR 6 2HH2 DAR 6 -5.554 -11.891 7.107 56 HH21 DAR 6 1HH1 DAR 6 -2.814 -10.440 5.395 57 HH22 DAR 6 2HH1 DAR 6 -3.379 -11.081 6.863 58 H VAL 7 H VAL 7 -2.040 -6.806 0.380 59 HA VAL 7 HA VAL 7 -1.313 -7.115 -2.419 60 HB VAL 7 HB VAL 7 -0.212 -4.873 -2.394 61 HG11 VAL 7 1HG1 VAL 7 -2.257 -3.539 -2.642 62 HG12 VAL 7 2HG1 VAL 7 -3.173 -4.841 -1.884 63 HG13 VAL 7 3HG1 VAL 7 -2.368 -5.112 -3.430 64 HG21 VAL 7 1HG2 VAL 7 -0.845 -3.222 -0.692 65 HG22 VAL 7 2HG2 VAL 7 0.031 -4.575 0.030 66 HG23 VAL 7 3HG2 VAL 7 -1.723 -4.467 0.192 67 H SER 8 H SER 8 0.807 -7.582 -2.783 68 HA SER 8 HA SER 8 2.196 -8.732 -0.585 69 HB2 SER 8 2HB SER 8 3.923 -9.268 -2.370 70 HB3 SER 8 1HB SER 8 2.294 -9.836 -2.728 71 HG SER 8 HG SER 8 2.014 -8.133 -4.123 72 HA PRO 9 HA PRO 9 5.036 -5.686 0.979 73 HB2 PRO 9 2HB PRO 9 7.216 -7.319 -0.260 74 HB3 PRO 9 1HB PRO 9 7.135 -6.597 1.353 75 HG2 PRO 9 2HG PRO 9 6.634 -9.167 1.053 76 HG3 PRO 9 1HG PRO 9 5.628 -8.187 2.133 77 HD2 PRO 9 2HD PRO 9 5.003 -9.283 -0.558 78 HD3 PRO 9 1HD PRO 9 3.932 -8.995 0.824 79 H GLU 10 H GLU 10 6.054 -6.756 -2.295 80 HA GLU 10 HA GLU 10 7.283 -4.247 -2.808 81 HB2 GLU 10 2HB GLU 10 6.472 -6.369 -4.767 82 HB3 GLU 10 1HB GLU 10 7.372 -4.922 -5.190 83 HG2 GLU 10 2HG GLU 10 9.050 -5.653 -3.462 84 HG3 GLU 10 1HG GLU 10 8.237 -7.218 -3.485 85 H GLU 11 H GLU 11 4.092 -5.507 -3.498 86 HA GLU 11 HA GLU 11 3.234 -3.376 -5.124 87 HB2 GLU 11 2HB GLU 11 1.687 -5.115 -3.212 88 HB3 GLU 11 1HB GLU 11 0.934 -3.964 -4.305 89 HG2 GLU 11 2HG GLU 11 1.794 -5.211 -6.201 90 HG3 GLU 11 1HG GLU 11 2.581 -6.344 -5.100 91 H CYS 12 H CYS 12 2.993 -3.965 -1.673 92 HA CYS 12 HA CYS 12 1.785 -1.575 -0.919 93 HB2 CYS 12 2HB CYS 12 2.020 -3.480 0.599 94 HB3 CYS 12 1HB CYS 12 3.765 -3.252 0.628 95 H ARG 13 H ARG 13 5.238 -2.386 -1.173 96 HA ARG 13 HA ARG 13 6.289 0.055 -0.328 97 HB2 ARG 13 2HB ARG 13 7.579 -2.048 -0.652 98 HB3 ARG 13 1HB ARG 13 7.441 -1.826 -2.387 99 HG2 ARG 13 2HG ARG 13 8.644 0.330 -2.158 100 HG3 ARG 13 1HG ARG 13 8.892 -0.036 -0.449 101 HD2 ARG 13 2HD ARG 13 10.865 -0.683 -1.651 102 HD3 ARG 13 1HD ARG 13 10.014 -2.139 -1.129 103 HE ARG 13 HE ARG 13 9.680 -1.066 -3.832 104 HH11 ARG 13 1HH1 ARG 13 10.692 -3.732 -1.724 105 HH12 ARG 13 2HH1 ARG 13 10.811 -4.885 -2.962 106 HH21 ARG 13 1HH2 ARG 13 9.866 -2.660 -5.577 107 HH22 ARG 13 2HH2 ARG 13 10.290 -4.270 -5.204 108 H LYS 14 H LYS 14 5.350 -1.069 -3.559 109 HA LYS 14 HA LYS 14 6.264 1.300 -4.796 110 HB2 LYS 14 2HB LYS 14 6.158 -0.864 -5.965 111 HB3 LYS 14 1HB LYS 14 4.404 -0.804 -5.904 112 HG2 LYS 14 2HG LYS 14 4.374 1.138 -7.307 113 HG3 LYS 14 1HG LYS 14 6.130 1.244 -7.259 114 HD2 LYS 14 2HD LYS 14 6.247 -0.969 -8.369 115 HD3 LYS 14 1HD LYS 14 4.485 -0.954 -8.501 116 HE2 LYS 14 2HE LYS 14 5.585 -0.199 -10.568 117 HE3 LYS 14 1HE LYS 14 4.565 1.048 -9.852 118 HZ1 LYS 14 1HZ LYS 14 6.560 2.078 -8.909 119 HZ2 LYS 14 2HZ LYS 14 6.690 1.952 -10.579 120 HZ3 LYS 14 3HZ LYS 14 7.524 0.876 -9.590 121 H TYR 15 H TYR 15 3.159 0.296 -3.497 122 HA TYR 15 HA TYR 15 1.747 2.536 -4.508 123 HB2 TYR 15 2HB TYR 15 1.179 0.831 -2.070 124 HB3 TYR 15 1HB TYR 15 0.134 2.142 -2.586 125 HD1 TYR 15 1HD TYR 15 -0.316 1.877 -5.355 126 HD2 TYR 15 2HD TYR 15 0.311 -1.224 -2.529 127 HE1 TYR 15 1HE TYR 15 -1.578 0.337 -6.784 128 HE2 TYR 15 2HE TYR 15 -0.936 -2.788 -3.958 129 HH TYR 15 HH TYR 15 -2.640 -2.728 -5.707 130 H LYS 16 H LYS 16 3.712 2.021 -1.666 131 HA LYS 16 HA LYS 16 3.263 4.570 -0.479 132 HB2 LYS 16 2HB LYS 16 5.688 2.773 -0.315 133 HB3 LYS 16 1HB LYS 16 5.416 4.183 0.693 134 HG2 LYS 16 2HG LYS 16 3.474 3.128 1.676 135 HG3 LYS 16 1HG LYS 16 3.687 1.729 0.619 136 HD2 LYS 16 2HD LYS 16 5.880 1.314 1.609 137 HD3 LYS 16 1HD LYS 16 5.670 2.712 2.663 138 HE2 LYS 16 2HE LYS 16 3.733 1.661 3.688 139 HE3 LYS 16 1HE LYS 16 3.905 0.275 2.613 140 HZ1 LYS 16 1HZ LYS 16 5.891 1.158 4.623 141 HZ2 LYS 16 2HZ LYS 16 6.046 -0.186 3.603 142 HZ3 LYS 16 3HZ LYS 16 4.836 -0.141 4.774 143 H GLU 17 H GLU 17 5.652 3.321 -2.708 144 HA GLU 17 HA GLU 17 7.261 5.531 -3.142 145 HB2 GLU 17 2HB GLU 17 7.747 3.323 -4.036 146 HB3 GLU 17 1HB GLU 17 6.306 3.380 -5.031 147 HG2 GLU 17 2HG GLU 17 7.288 5.126 -6.391 148 HG3 GLU 17 1HG GLU 17 8.721 5.139 -5.363 149 H GLU 18 H GLU 18 4.205 4.672 -4.599 150 HA GLU 18 HA GLU 18 4.128 6.954 -6.307 151 HB2 GLU 18 2HB GLU 18 3.160 4.836 -6.986 152 HB3 GLU 18 1HB GLU 18 2.037 4.894 -5.641 153 HG2 GLU 18 2HG GLU 18 0.984 5.487 -7.766 154 HG3 GLU 18 1HG GLU 18 0.925 6.807 -6.602 155 H TYR 19 H TYR 19 2.190 6.011 -3.414 156 HA TYR 19 HA TYR 19 0.951 8.656 -3.619 157 HB2 TYR 19 2HB TYR 19 -0.029 6.218 -2.179 158 HB3 TYR 19 1HB TYR 19 -0.873 7.756 -2.280 159 HD1 TYR 19 1HD TYR 19 -0.437 4.573 -3.757 160 HD2 TYR 19 2HD TYR 19 -1.373 8.613 -4.689 161 HE1 TYR 19 1HE TYR 19 -1.451 3.842 -5.855 162 HE2 TYR 19 2HE TYR 19 -2.397 7.901 -6.791 163 HH TYR 19 HH TYR 19 -3.094 4.659 -7.512 164 H DSG 20 H DAS 20 3.314 7.266 -1.639 165 HA DSG 20 HA DAS 20 2.873 9.449 0.214 166 HB2 DSG 20 1HB DAS 20 5.174 7.491 0.092 167 HB3 DSG 20 2HB DAS 20 5.071 8.851 1.204 168 HD21 DSG 20 1HD2 DAS 20 7.089 8.324 -0.812 169 HD22 DSG 20 2HD2 DAS 20 7.021 9.682 -1.885 170 H CYS 21 H CYS 21 1.280 9.010 1.556 171 HA CYS 21 HA CYS 21 1.773 6.950 3.526 172 HB2 CYS 21 2HB CYS 21 1.195 9.215 4.322 173 HB3 CYS 21 1HB CYS 21 -0.338 9.117 3.467 174 H VAL 22 H VAL 22 1.075 5.006 2.935 175 HA VAL 22 HA VAL 22 -1.751 4.772 2.420 176 HB VAL 22 HB VAL 22 -1.461 3.008 0.712 177 HG11 VAL 22 1HG1 VAL 22 -0.164 5.598 -0.051 178 HG12 VAL 22 2HG1 VAL 22 -1.885 5.224 -0.092 179 HG13 VAL 22 3HG1 VAL 22 -0.772 4.400 -1.190 180 HG21 VAL 22 1HG2 VAL 22 1.462 3.738 0.754 181 HG22 VAL 22 2HG2 VAL 22 0.667 2.713 -0.439 182 HG23 VAL 22 3HG2 VAL 22 0.757 2.189 1.249 183 H ARG 23 H ARG 23 -2.603 2.770 3.046 184 HA ARG 23 HA ARG 23 -1.005 1.518 5.180 185 HB2 ARG 23 2HB ARG 23 -3.087 2.794 5.819 186 HB3 ARG 23 1HB ARG 23 -4.013 1.669 4.848 187 HG2 ARG 23 2HG ARG 23 -3.299 -0.167 6.300 188 HG3 ARG 23 1HG ARG 23 -2.393 0.985 7.286 189 HD2 ARG 23 2HD ARG 23 -4.520 2.205 7.707 190 HD3 ARG 23 1HD ARG 23 -5.371 0.931 6.839 191 HE ARG 23 HE ARG 23 -3.790 -0.184 8.871 192 HH11 ARG 23 1HH1 ARG 23 -6.876 1.502 8.384 193 HH12 ARG 23 2HH1 ARG 23 -7.519 1.086 9.893 194 HH21 ARG 23 1HH2 ARG 23 -4.696 -0.764 10.958 195 HH22 ARG 23 2HH2 ARG 23 -6.255 -0.250 11.389 196 H CYS 24 H CYS 24 -0.819 -0.747 5.068 197 HA CYS 24 HA CYS 24 -2.139 -1.988 2.752 198 HB2 CYS 24 2HB CYS 24 0.616 -2.596 3.819 199 HB3 CYS 24 1HB CYS 24 -0.149 -3.322 2.415 200 H THR 25 H THR 25 -3.116 -3.899 3.147 201 HA THR 25 HA THR 25 -3.055 -4.925 5.853 202 HB THR 25 HB THR 25 -4.558 -5.988 3.453 203 HG1 THR 25 1HG THR 25 -5.036 -3.911 5.287 204 HG21 THR 25 1HG2 THR 25 -4.996 -6.308 6.429 205 HG22 THR 25 2HG2 THR 25 -4.385 -7.554 5.340 206 HG23 THR 25 3HG2 THR 25 -6.038 -6.961 5.168 207 H GLU 26 H GLU 26 -1.415 -6.126 6.349 208 HA GLU 26 HA GLU 26 -0.014 -7.666 4.364 209 HB2 GLU 26 2HB GLU 26 1.163 -6.250 6.036 210 HB3 GLU 26 1HB GLU 26 0.548 -7.296 7.304 211 HG2 GLU 26 2HG GLU 26 1.759 -9.182 6.307 212 HG3 GLU 26 1HG GLU 26 2.407 -8.089 5.084 Start of MODEL 8 1 H1 CYS 1 1HT CYS 1 -5.444 8.853 4.082 2 H2 CYS 1 2HT CYS 1 -6.096 7.349 4.553 3 H3 CYS 1 3HT CYS 1 -6.681 8.121 3.176 4 HA CYS 1 HA CYS 1 -4.615 7.829 2.093 5 HB2 CYS 1 2HB CYS 1 -3.789 6.346 4.624 6 HB3 CYS 1 1HB CYS 1 -2.816 6.566 3.180 7 H GLN 2 H GLN 2 -4.668 6.028 0.712 8 HA GLN 2 HA GLN 2 -6.833 4.253 0.918 9 HB2 GLN 2 2HB GLN 2 -4.389 4.184 -0.845 10 HB3 GLN 2 1HB GLN 2 -5.583 2.906 -0.889 11 HG2 GLN 2 2HG GLN 2 -5.962 4.440 -2.704 12 HG3 GLN 2 1HG GLN 2 -7.287 4.556 -1.557 13 HE21 GLN 2 1HE2 GLN 2 -7.595 6.447 -0.447 14 HE22 GLN 2 2HE2 GLN 2 -6.757 7.902 -0.833 15 H THR 3 H THR 3 -7.070 2.327 1.724 16 HA THR 3 HA THR 3 -4.793 1.228 3.141 17 HB THR 3 HB THR 3 -7.747 0.795 3.632 18 HG1 THR 3 1HG THR 3 -7.227 2.851 4.176 19 HG21 THR 3 1HG2 THR 3 -6.328 -1.081 4.393 20 HG22 THR 3 2HG2 THR 3 -6.988 -0.187 5.764 21 HG23 THR 3 3HG2 THR 3 -5.311 0.054 5.278 22 H TRP 4 H TRP 4 -3.868 -0.110 1.839 23 HA TRP 4 HA TRP 4 -5.272 -1.813 -0.012 24 HB2 TRP 4 2HB TRP 4 -2.340 -1.775 0.767 25 HB3 TRP 4 1HB TRP 4 -3.037 -2.570 -0.639 26 HD1 TRP 4 HD TRP 4 -1.914 0.816 0.636 27 HE1 TRP 4 1HE TRP 4 -1.926 2.503 -1.312 28 HE3 TRP 4 3HE TRP 4 -4.228 -2.038 -2.914 29 HZ2 TRP 4 2HZ TRP 4 -2.785 2.616 -3.969 30 HZ3 TRP 4 3HZ TRP 4 -4.600 -1.066 -5.143 31 HH2 TRP 4 HH TRP 4 -3.894 1.216 -5.658 32 H ARG 5 H ARG 5 -5.637 -3.947 0.334 33 HA ARG 5 HA ARG 5 -4.688 -5.113 2.838 34 HB2 ARG 5 2HB ARG 5 -7.556 -5.016 1.890 35 HB3 ARG 5 1HB ARG 5 -6.990 -6.073 3.170 36 HG2 ARG 5 2HG ARG 5 -6.403 -4.172 4.536 37 HG3 ARG 5 1HG ARG 5 -6.819 -3.065 3.225 38 HD2 ARG 5 2HD ARG 5 -8.746 -4.958 4.563 39 HD3 ARG 5 1HD ARG 5 -8.564 -3.257 4.979 40 HE ARG 5 HE ARG 5 -9.079 -3.030 2.414 41 HH11 ARG 5 1HH1 ARG 5 -10.680 -5.215 4.710 42 HH12 ARG 5 2HH1 ARG 5 -12.196 -5.099 3.957 43 HH21 ARG 5 1HH2 ARG 5 -11.145 -2.889 1.403 44 HH22 ARG 5 2HH2 ARG 5 -12.485 -3.746 2.047 45 H DAR 6 H DAR 6 -3.373 -6.610 1.892 46 HA DAR 6 HA DAR 6 -4.845 -8.677 0.433 47 HB2 DAR 6 1HB DAR 6 -2.214 -8.807 1.875 48 HB3 DAR 6 2HB DAR 6 -2.879 -10.148 0.954 49 HG2 DAR 6 1HG DAR 6 -4.829 -10.180 2.465 50 HG3 DAR 6 2HG DAR 6 -4.096 -8.870 3.393 51 HD2 DAR 6 1HD DAR 6 -2.182 -10.269 3.909 52 HD3 DAR 6 2HD DAR 6 -2.848 -11.574 2.930 53 HE DAR 6 HE DAR 6 -4.765 -10.950 4.798 54 HH11 DAR 6 1HH2 DAR 6 -5.059 -12.246 6.765 55 HH12 DAR 6 2HH2 DAR 6 -3.744 -13.126 7.375 56 HH21 DAR 6 1HH1 DAR 6 -1.409 -12.104 4.920 57 HH22 DAR 6 2HH1 DAR 6 -1.649 -13.040 6.321 58 H VAL 7 H VAL 7 -1.680 -7.056 0.238 59 HA VAL 7 HA VAL 7 -1.809 -7.514 -2.670 60 HB VAL 7 HB VAL 7 -0.561 -5.382 -2.996 61 HG11 VAL 7 1HG1 VAL 7 -2.980 -5.376 -3.234 62 HG12 VAL 7 2HG1 VAL 7 -2.423 -3.849 -2.550 63 HG13 VAL 7 3HG1 VAL 7 -3.165 -5.063 -1.508 64 HG21 VAL 7 1HG2 VAL 7 -1.060 -4.955 -0.046 65 HG22 VAL 7 2HG2 VAL 7 -0.399 -3.756 -1.158 66 HG23 VAL 7 3HG2 VAL 7 0.507 -5.228 -0.804 67 H SER 8 H SER 8 0.526 -7.228 -3.663 68 HA SER 8 HA SER 8 2.180 -9.055 -2.177 69 HB2 SER 8 2HB SER 8 2.881 -7.597 -4.727 70 HB3 SER 8 1HB SER 8 3.495 -9.150 -4.156 71 HG SER 8 HG SER 8 1.058 -8.466 -5.289 72 HA PRO 9 HA PRO 9 4.670 -6.041 0.059 73 HB2 PRO 9 2HB PRO 9 6.946 -7.655 -1.024 74 HB3 PRO 9 1HB PRO 9 6.654 -7.100 0.630 75 HG2 PRO 9 2HG PRO 9 6.169 -9.620 -0.015 76 HG3 PRO 9 1HG PRO 9 5.046 -8.735 1.034 77 HD2 PRO 9 2HD PRO 9 4.765 -9.492 -1.835 78 HD3 PRO 9 1HD PRO 9 3.531 -9.374 -0.565 79 H GLU 10 H GLU 10 5.838 -7.049 -3.124 80 HA GLU 10 HA GLU 10 7.426 -4.890 -3.880 81 HB2 GLU 10 2HB GLU 10 7.256 -6.940 -5.152 82 HB3 GLU 10 1HB GLU 10 5.567 -6.622 -5.500 83 HG2 GLU 10 2HG GLU 10 6.267 -4.644 -6.809 84 HG3 GLU 10 1HG GLU 10 7.950 -5.099 -6.520 85 H GLU 11 H GLU 11 3.993 -5.446 -4.470 86 HA GLU 11 HA GLU 11 3.441 -3.030 -5.773 87 HB2 GLU 11 2HB GLU 11 1.583 -4.820 -4.211 88 HB3 GLU 11 1HB GLU 11 1.094 -3.585 -5.362 89 HG2 GLU 11 2HG GLU 11 2.147 -4.807 -7.163 90 HG3 GLU 11 1HG GLU 11 2.723 -6.025 -6.031 91 H CYS 12 H CYS 12 3.015 -4.075 -2.423 92 HA CYS 12 HA CYS 12 1.890 -1.754 -1.397 93 HB2 CYS 12 2HB CYS 12 1.931 -3.703 -0.015 94 HB3 CYS 12 1HB CYS 12 3.688 -3.786 -0.077 95 H ARG 13 H ARG 13 5.349 -2.589 -1.699 96 HA ARG 13 HA ARG 13 6.252 -0.244 -0.434 97 HB2 ARG 13 2HB ARG 13 7.592 -2.350 -0.832 98 HB3 ARG 13 1HB ARG 13 7.747 -1.844 -2.507 99 HG2 ARG 13 2HG ARG 13 9.747 -1.238 -1.317 100 HG3 ARG 13 1HG ARG 13 8.863 0.226 -1.741 101 HD2 ARG 13 2HD ARG 13 7.951 0.366 0.519 102 HD3 ARG 13 1HD ARG 13 8.760 -1.137 0.955 103 HE ARG 13 HE ARG 13 10.660 0.641 0.003 104 HH11 ARG 13 1HH1 ARG 13 8.548 0.304 2.845 105 HH12 ARG 13 2HH1 ARG 13 9.560 1.207 3.861 106 HH21 ARG 13 1HH2 ARG 13 12.048 1.857 1.447 107 HH22 ARG 13 2HH2 ARG 13 11.566 2.112 3.056 108 H LYS 14 H LYS 14 5.622 -1.091 -3.791 109 HA LYS 14 HA LYS 14 6.489 1.267 -4.999 110 HB2 LYS 14 2HB LYS 14 5.997 -0.669 -6.346 111 HB3 LYS 14 1HB LYS 14 4.347 -0.719 -5.766 112 HG2 LYS 14 2HG LYS 14 4.489 0.076 -8.072 113 HG3 LYS 14 1HG LYS 14 3.815 1.298 -7.002 114 HD2 LYS 14 2HD LYS 14 5.942 2.479 -6.973 115 HD3 LYS 14 1HD LYS 14 6.684 1.213 -7.960 116 HE2 LYS 14 2HE LYS 14 5.153 1.712 -9.783 117 HE3 LYS 14 1HE LYS 14 4.345 2.924 -8.798 118 HZ1 LYS 14 1HZ LYS 14 5.961 3.732 -10.472 119 HZ2 LYS 14 2HZ LYS 14 7.222 3.129 -9.513 120 HZ3 LYS 14 3HZ LYS 14 6.170 4.346 -8.934 121 H TYR 15 H TYR 15 3.279 0.391 -3.738 122 HA TYR 15 HA TYR 15 2.070 2.834 -4.421 123 HB2 TYR 15 2HB TYR 15 1.286 0.959 -2.172 124 HB3 TYR 15 1HB TYR 15 0.277 2.239 -2.833 125 HD1 TYR 15 1HD TYR 15 -0.018 -0.943 -2.630 126 HD2 TYR 15 2HD TYR 15 0.850 1.785 -5.782 127 HE1 TYR 15 1HE TYR 15 -0.898 -2.548 -4.264 128 HE2 TYR 15 2HE TYR 15 -0.033 0.196 -7.409 129 HH TYR 15 HH TYR 15 -0.333 -2.262 -7.546 130 H LYS 16 H LYS 16 3.724 1.794 -1.512 131 HA LYS 16 HA LYS 16 3.283 4.083 0.055 132 HB2 LYS 16 2HB LYS 16 5.541 2.086 0.068 133 HB3 LYS 16 1HB LYS 16 5.409 3.395 1.233 134 HG2 LYS 16 2HG LYS 16 3.320 2.487 2.076 135 HG3 LYS 16 1HG LYS 16 3.327 1.255 0.821 136 HD2 LYS 16 2HD LYS 16 4.070 0.398 3.027 137 HD3 LYS 16 1HD LYS 16 5.288 0.218 1.768 138 HE2 LYS 16 2HE LYS 16 6.306 0.960 3.840 139 HE3 LYS 16 1HE LYS 16 6.444 2.200 2.605 140 HZ1 LYS 16 1HZ LYS 16 4.526 2.175 4.882 141 HZ2 LYS 16 2HZ LYS 16 4.537 3.338 3.673 142 HZ3 LYS 16 3HZ LYS 16 5.851 3.191 4.689 143 H GLU 17 H GLU 17 5.924 3.342 -2.167 144 HA GLU 17 HA GLU 17 7.196 5.850 -1.615 145 HB2 GLU 17 2HB GLU 17 7.744 3.754 -3.707 146 HB3 GLU 17 1HB GLU 17 8.738 5.179 -3.443 147 HG2 GLU 17 2HG GLU 17 8.216 3.016 -1.409 148 HG3 GLU 17 1HG GLU 17 9.677 3.175 -2.382 149 H GLU 18 H GLU 18 4.779 4.816 -3.808 150 HA GLU 18 HA GLU 18 5.316 7.013 -5.605 151 HB2 GLU 18 2HB GLU 18 4.585 4.712 -6.369 152 HB3 GLU 18 1HB GLU 18 2.983 5.129 -5.778 153 HG2 GLU 18 2HG GLU 18 3.142 5.513 -8.161 154 HG3 GLU 18 1HG GLU 18 2.926 7.043 -7.302 155 H TYR 19 H TYR 19 2.658 6.025 -3.428 156 HA TYR 19 HA TYR 19 1.281 8.523 -4.042 157 HB2 TYR 19 2HB TYR 19 0.387 6.102 -2.502 158 HB3 TYR 19 1HB TYR 19 -0.585 7.549 -2.712 159 HD1 TYR 19 1HD TYR 19 0.580 4.474 -4.209 160 HD2 TYR 19 2HD TYR 19 -1.405 8.151 -4.973 161 HE1 TYR 19 1HE TYR 19 -0.318 3.549 -6.298 162 HE2 TYR 19 2HE TYR 19 -2.304 7.248 -7.058 163 HH TYR 19 HH TYR 19 -1.819 5.507 -8.651 164 H DSG 20 H DAS 20 3.381 7.386 -1.658 165 HA DSG 20 HA DAS 20 2.641 9.671 -0.027 166 HB2 DSG 20 1HB DAS 20 5.079 7.892 0.061 167 HB3 DSG 20 2HB DAS 20 4.782 9.184 1.215 168 HD21 DSG 20 1HD2 DAS 20 4.921 11.322 0.533 169 HD22 DSG 20 2HD2 DAS 20 5.737 11.763 -0.918 170 H CYS 21 H CYS 21 1.105 9.290 1.353 171 HA CYS 21 HA CYS 21 1.484 7.216 3.312 172 HB2 CYS 21 2HB CYS 21 0.859 9.400 4.132 173 HB3 CYS 21 1HB CYS 21 -0.552 9.433 3.086 174 H VAL 22 H VAL 22 0.894 5.258 2.643 175 HA VAL 22 HA VAL 22 -1.924 4.881 2.114 176 HB VAL 22 HB VAL 22 -1.463 3.023 0.517 177 HG11 VAL 22 1HG1 VAL 22 -0.330 5.643 -0.410 178 HG12 VAL 22 2HG1 VAL 22 -2.024 5.150 -0.444 179 HG13 VAL 22 3HG1 VAL 22 -0.844 4.320 -1.458 180 HG21 VAL 22 1HG2 VAL 22 0.758 2.796 -0.522 181 HG22 VAL 22 2HG2 VAL 22 0.780 2.435 1.207 182 HG23 VAL 22 3HG2 VAL 22 1.379 3.988 0.623 183 H ARG 23 H ARG 23 -2.624 2.817 2.929 184 HA ARG 23 HA ARG 23 -0.731 1.901 4.988 185 HB2 ARG 23 2HB ARG 23 -3.745 1.899 5.144 186 HB3 ARG 23 1HB ARG 23 -2.637 1.380 6.402 187 HG2 ARG 23 2HG ARG 23 -1.766 3.703 6.503 188 HG3 ARG 23 1HG ARG 23 -3.019 4.170 5.354 189 HD2 ARG 23 2HD ARG 23 -3.464 2.954 8.074 190 HD3 ARG 23 1HD ARG 23 -3.690 4.648 7.649 191 HE ARG 23 HE ARG 23 -5.287 3.024 5.977 192 HH11 ARG 23 1HH1 ARG 23 -5.157 4.208 9.308 193 HH12 ARG 23 2HH1 ARG 23 -6.831 4.029 9.581 194 HH21 ARG 23 1HH2 ARG 23 -7.530 2.780 6.341 195 HH22 ARG 23 2HH2 ARG 23 -8.218 3.182 7.857 196 H CYS 24 H CYS 24 0.056 -0.018 4.339 197 HA CYS 24 HA CYS 24 -1.697 -1.860 2.946 198 HB2 CYS 24 2HB CYS 24 1.152 -2.251 3.905 199 HB3 CYS 24 1HB CYS 24 0.273 -3.296 2.802 200 H THR 25 H THR 25 -3.044 -2.927 4.179 201 HA THR 25 HA THR 25 -2.208 -3.688 6.880 202 HB THR 25 HB THR 25 -5.039 -3.272 5.876 203 HG1 THR 25 1HG THR 25 -3.633 -1.410 5.841 204 HG21 THR 25 1HG2 THR 25 -5.563 -3.145 8.280 205 HG22 THR 25 2HG2 THR 25 -3.861 -3.392 8.669 206 HG23 THR 25 3HG2 THR 25 -4.785 -4.680 7.896 207 H GLU 26 H GLU 26 -1.443 -5.638 6.424 208 HA GLU 26 HA GLU 26 -2.819 -7.334 4.515 209 HB2 GLU 26 2HB GLU 26 -0.107 -7.616 5.795 210 HB3 GLU 26 1HB GLU 26 -0.739 -8.551 4.444 211 HG2 GLU 26 2HG GLU 26 -0.248 -5.580 4.404 212 HG3 GLU 26 1HG GLU 26 0.833 -6.798 3.732 Start of MODEL 9 1 H1 CYS 1 1HT CYS 1 -5.514 9.363 2.860 2 H2 CYS 1 2HT CYS 1 -4.509 9.517 4.231 3 H3 CYS 1 3HT CYS 1 -5.982 8.731 4.348 4 HA CYS 1 HA CYS 1 -3.749 7.857 2.682 5 HB2 CYS 1 2HB CYS 1 -4.560 7.046 5.466 6 HB3 CYS 1 1HB CYS 1 -3.675 5.952 4.418 7 H GLN 2 H GLN 2 -4.163 6.288 1.295 8 HA GLN 2 HA GLN 2 -6.860 5.255 1.048 9 HB2 GLN 2 2HB GLN 2 -4.324 4.528 -0.466 10 HB3 GLN 2 1HB GLN 2 -5.900 3.862 -0.801 11 HG2 GLN 2 2HG GLN 2 -5.394 5.516 -2.434 12 HG3 GLN 2 1HG GLN 2 -6.696 6.106 -1.412 13 HE21 GLN 2 1HE2 GLN 2 -6.349 7.902 -0.157 14 HE22 GLN 2 2HE2 GLN 2 -4.954 8.894 -0.288 15 H THR 3 H THR 3 -7.106 2.784 0.872 16 HA THR 3 HA THR 3 -5.338 1.520 2.823 17 HB THR 3 HB THR 3 -8.321 1.037 2.568 18 HG1 THR 3 1HG THR 3 -8.547 2.750 3.697 19 HG21 THR 3 1HG2 THR 3 -7.015 -0.827 3.518 20 HG22 THR 3 2HG2 THR 3 -8.048 -0.082 4.736 21 HG23 THR 3 3HG2 THR 3 -6.321 0.275 4.707 22 H TRP 4 H TRP 4 -4.202 0.064 1.714 23 HA TRP 4 HA TRP 4 -5.428 -1.356 -0.534 24 HB2 TRP 4 2HB TRP 4 -2.540 -1.381 0.398 25 HB3 TRP 4 1HB TRP 4 -3.165 -2.049 -1.102 26 HD1 TRP 4 HD TRP 4 -1.682 1.015 0.319 27 HE1 TRP 4 1HE TRP 4 -1.768 2.930 -1.405 28 HE3 TRP 4 3HE TRP 4 -4.845 -1.084 -3.068 29 HZ2 TRP 4 2HZ TRP 4 -3.012 3.485 -3.848 30 HZ3 TRP 4 3HZ TRP 4 -5.451 0.208 -5.085 31 HH2 TRP 4 HH TRP 4 -4.548 2.444 -5.462 32 H ARG 5 H ARG 5 -6.008 -3.444 -0.273 33 HA ARG 5 HA ARG 5 -5.062 -4.780 2.154 34 HB2 ARG 5 2HB ARG 5 -7.874 -4.870 1.064 35 HB3 ARG 5 1HB ARG 5 -7.282 -5.739 2.470 36 HG2 ARG 5 2HG ARG 5 -6.837 -3.589 3.588 37 HG3 ARG 5 1HG ARG 5 -7.502 -2.749 2.188 38 HD2 ARG 5 2HD ARG 5 -9.166 -2.921 3.921 39 HD3 ARG 5 1HD ARG 5 -9.629 -3.913 2.536 40 HE ARG 5 HE ARG 5 -8.168 -5.306 4.564 41 HH11 ARG 5 1HH1 ARG 5 -11.377 -4.316 3.482 42 HH12 ARG 5 2HH1 ARG 5 -12.215 -5.522 4.336 43 HH21 ARG 5 1HH2 ARG 5 -9.307 -6.997 5.749 44 HH22 ARG 5 2HH2 ARG 5 -11.002 -7.080 5.664 45 H DAR 6 H DAR 6 -4.187 -6.620 1.779 46 HA DAR 6 HA DAR 6 -5.216 -8.592 0.020 47 HB2 DAR 6 1HB DAR 6 -3.931 -9.211 1.996 48 HB3 DAR 6 2HB DAR 6 -2.516 -8.384 1.361 49 HG2 DAR 6 1HG DAR 6 -2.639 -10.002 -0.602 50 HG3 DAR 6 2HG DAR 6 -3.789 -10.921 0.367 51 HD2 DAR 6 1HD DAR 6 -0.994 -10.201 1.205 52 HD3 DAR 6 2HD DAR 6 -1.488 -11.764 0.572 53 HE DAR 6 HE DAR 6 -3.070 -11.738 2.572 54 HH11 DAR 6 1HH2 DAR 6 -2.603 -12.330 4.789 55 HH12 DAR 6 2HH2 DAR 6 -1.120 -11.889 5.492 56 HH21 DAR 6 1HH1 DAR 6 0.123 -10.174 2.654 57 HH22 DAR 6 2HH1 DAR 6 0.455 -10.619 4.245 58 H VAL 7 H VAL 7 -2.529 -6.362 -0.224 59 HA VAL 7 HA VAL 7 -2.256 -7.108 -3.032 60 HB VAL 7 HB VAL 7 -0.861 -5.056 -3.271 61 HG11 VAL 7 1HG1 VAL 7 -2.648 -3.384 -2.885 62 HG12 VAL 7 2HG1 VAL 7 -3.542 -4.602 -1.973 63 HG13 VAL 7 3HG1 VAL 7 -3.212 -4.846 -3.689 64 HG21 VAL 7 1HG2 VAL 7 0.044 -4.996 -1.010 65 HG22 VAL 7 2HG2 VAL 7 -1.548 -4.571 -0.378 66 HG23 VAL 7 3HG2 VAL 7 -0.692 -3.454 -1.442 67 H SER 8 H SER 8 0.038 -7.441 -3.809 68 HA SER 8 HA SER 8 1.268 -9.184 -1.910 69 HB2 SER 8 2HB SER 8 2.881 -9.685 -3.763 70 HB3 SER 8 1HB SER 8 1.202 -9.875 -4.240 71 HG SER 8 HG SER 8 1.298 -7.852 -5.245 72 HA PRO 9 HA PRO 9 4.264 -6.794 0.268 73 HB2 PRO 9 2HB PRO 9 6.291 -8.494 -1.138 74 HB3 PRO 9 1HB PRO 9 6.209 -8.023 0.563 75 HG2 PRO 9 2HG PRO 9 5.397 -10.430 -0.167 76 HG3 PRO 9 1HG PRO 9 4.479 -9.498 1.030 77 HD2 PRO 9 2HD PRO 9 3.828 -10.090 -1.806 78 HD3 PRO 9 1HD PRO 9 2.746 -9.821 -0.427 79 H GLU 10 H GLU 10 5.420 -7.519 -3.027 80 HA GLU 10 HA GLU 10 7.133 -5.296 -3.219 81 HB2 GLU 10 2HB GLU 10 7.224 -7.343 -4.645 82 HB3 GLU 10 1HB GLU 10 5.797 -6.758 -5.489 83 HG2 GLU 10 2HG GLU 10 7.051 -4.748 -6.141 84 HG3 GLU 10 1HG GLU 10 8.486 -5.427 -5.373 85 H GLU 11 H GLU 11 3.801 -5.805 -4.368 86 HA GLU 11 HA GLU 11 3.432 -3.301 -5.624 87 HB2 GLU 11 2HB GLU 11 1.382 -5.021 -4.215 88 HB3 GLU 11 1HB GLU 11 1.017 -3.696 -5.305 89 HG2 GLU 11 2HG GLU 11 2.003 -4.920 -7.145 90 HG3 GLU 11 1HG GLU 11 2.449 -6.228 -6.050 91 H CYS 12 H CYS 12 2.769 -4.477 -2.412 92 HA CYS 12 HA CYS 12 1.542 -2.326 -1.208 93 HB2 CYS 12 2HB CYS 12 1.893 -4.608 -0.233 94 HB3 CYS 12 1HB CYS 12 3.565 -4.163 0.069 95 H ARG 13 H ARG 13 5.013 -3.062 -1.297 96 HA ARG 13 HA ARG 13 5.817 -0.740 0.056 97 HB2 ARG 13 2HB ARG 13 7.305 -2.635 -1.730 98 HB3 ARG 13 1HB ARG 13 8.086 -1.314 -0.876 99 HG2 ARG 13 2HG ARG 13 7.320 -2.267 1.257 100 HG3 ARG 13 1HG ARG 13 6.590 -3.608 0.375 101 HD2 ARG 13 2HD ARG 13 8.783 -4.194 1.302 102 HD3 ARG 13 1HD ARG 13 8.764 -4.277 -0.458 103 HE ARG 13 HE ARG 13 9.614 -1.734 0.416 104 HH11 ARG 13 1HH1 ARG 13 10.757 -5.064 0.243 105 HH12 ARG 13 2HH1 ARG 13 12.390 -4.663 -0.012 106 HH21 ARG 13 1HH2 ARG 13 11.884 -1.154 0.055 107 HH22 ARG 13 2HH2 ARG 13 13.037 -2.405 -0.141 108 H LYS 14 H LYS 14 5.514 -1.492 -3.376 109 HA LYS 14 HA LYS 14 6.600 0.952 -4.234 110 HB2 LYS 14 2HB LYS 14 4.817 -1.037 -5.634 111 HB3 LYS 14 1HB LYS 14 5.433 0.410 -6.428 112 HG2 LYS 14 2HG LYS 14 7.711 -0.313 -6.090 113 HG3 LYS 14 1HG LYS 14 7.163 -1.700 -5.154 114 HD2 LYS 14 2HD LYS 14 6.104 -2.645 -7.122 115 HD3 LYS 14 1HD LYS 14 6.530 -1.213 -8.065 116 HE2 LYS 14 2HE LYS 14 8.889 -1.689 -7.799 117 HE3 LYS 14 1HE LYS 14 8.529 -3.042 -6.735 118 HZ1 LYS 14 1HZ LYS 14 7.674 -2.922 -9.584 119 HZ2 LYS 14 2HZ LYS 14 7.614 -4.269 -8.555 120 HZ3 LYS 14 3HZ LYS 14 9.082 -3.660 -9.049 121 H TYR 15 H TYR 15 3.289 0.033 -3.421 122 HA TYR 15 HA TYR 15 2.112 2.467 -4.252 123 HB2 TYR 15 2HB TYR 15 1.197 0.605 -2.045 124 HB3 TYR 15 1HB TYR 15 0.240 1.913 -2.713 125 HD1 TYR 15 1HD TYR 15 1.035 1.379 -5.678 126 HD2 TYR 15 2HD TYR 15 -0.294 -1.153 -2.522 127 HE1 TYR 15 1HE TYR 15 0.099 -0.158 -7.316 128 HE2 TYR 15 2HE TYR 15 -1.223 -2.708 -4.171 129 HH TYR 15 HH TYR 15 -0.492 -2.526 -7.457 130 H LYS 16 H LYS 16 3.495 1.454 -1.177 131 HA LYS 16 HA LYS 16 2.909 3.845 0.230 132 HB2 LYS 16 2HB LYS 16 5.114 1.837 0.672 133 HB3 LYS 16 1HB LYS 16 4.727 3.156 1.766 134 HG2 LYS 16 2HG LYS 16 2.531 2.200 2.174 135 HG3 LYS 16 1HG LYS 16 2.863 0.908 1.018 136 HD2 LYS 16 2HD LYS 16 3.211 0.114 3.291 137 HD3 LYS 16 1HD LYS 16 4.739 0.157 2.416 138 HE2 LYS 16 2HE LYS 16 5.267 2.321 3.507 139 HE3 LYS 16 1HE LYS 16 3.759 2.208 4.414 140 HZ1 LYS 16 1HZ LYS 16 4.622 0.091 5.346 141 HZ2 LYS 16 2HZ LYS 16 5.579 1.411 5.769 142 HZ3 LYS 16 3HZ LYS 16 6.067 0.371 4.546 143 H GLU 17 H GLU 17 5.624 2.832 -1.712 144 HA GLU 17 HA GLU 17 7.289 5.038 -1.135 145 HB2 GLU 17 2HB GLU 17 8.049 2.835 -1.980 146 HB3 GLU 17 1HB GLU 17 7.287 3.192 -3.518 147 HG2 GLU 17 2HG GLU 17 8.803 5.086 -3.815 148 HG3 GLU 17 1HG GLU 17 9.576 4.697 -2.280 149 H GLU 18 H GLU 18 4.931 4.353 -3.656 150 HA GLU 18 HA GLU 18 5.639 6.658 -5.208 151 HB2 GLU 18 2HB GLU 18 4.826 4.508 -6.166 152 HB3 GLU 18 1HB GLU 18 3.243 4.867 -5.499 153 HG2 GLU 18 2HG GLU 18 3.311 5.460 -7.831 154 HG3 GLU 18 1HG GLU 18 3.153 6.914 -6.843 155 H TYR 19 H TYR 19 2.623 5.703 -3.529 156 HA TYR 19 HA TYR 19 1.430 8.220 -4.169 157 HB2 TYR 19 2HB TYR 19 0.402 6.053 -2.341 158 HB3 TYR 19 1HB TYR 19 -0.521 7.429 -2.927 159 HD1 TYR 19 1HD TYR 19 0.067 4.057 -3.404 160 HD2 TYR 19 2HD TYR 19 -0.455 7.639 -5.629 161 HE1 TYR 19 1HE TYR 19 -0.615 2.740 -5.349 162 HE2 TYR 19 2HE TYR 19 -1.141 6.328 -7.584 163 HH TYR 19 HH TYR 19 -1.953 3.061 -7.397 164 H DSG 20 H DAS 20 2.425 6.738 -1.100 165 HA DSG 20 HA DAS 20 2.272 9.435 0.001 166 HB2 DSG 20 1HB DAS 20 4.401 7.376 0.436 167 HB3 DSG 20 2HB DAS 20 4.130 8.657 1.604 168 HD21 DSG 20 1HD2 DAS 20 5.361 7.860 -1.521 169 HD22 DSG 20 2HD2 DAS 20 6.000 9.415 -1.872 170 H CYS 21 H CYS 21 0.477 9.446 1.024 171 HA CYS 21 HA CYS 21 0.288 8.026 3.504 172 HB2 CYS 21 2HB CYS 21 -0.324 10.407 3.278 173 HB3 CYS 21 1HB CYS 21 -1.557 9.981 2.123 174 H VAL 22 H VAL 22 0.077 5.903 2.911 175 HA VAL 22 HA VAL 22 -2.600 5.093 2.183 176 HB VAL 22 HB VAL 22 -1.797 3.341 0.624 177 HG11 VAL 22 1HG1 VAL 22 -1.247 4.720 -1.323 178 HG12 VAL 22 2HG1 VAL 22 -0.897 6.068 -0.250 179 HG13 VAL 22 3HG1 VAL 22 -2.537 5.446 -0.359 180 HG21 VAL 22 1HG2 VAL 22 0.477 3.389 -0.289 181 HG22 VAL 22 2HG2 VAL 22 0.469 3.044 1.443 182 HG23 VAL 22 3HG2 VAL 22 0.905 4.654 0.864 183 H ARG 23 H ARG 23 -3.175 3.198 3.194 184 HA ARG 23 HA ARG 23 -1.168 2.076 5.007 185 HB2 ARG 23 2HB ARG 23 -4.202 2.035 5.173 186 HB3 ARG 23 1HB ARG 23 -3.127 1.238 6.319 187 HG2 ARG 23 2HG ARG 23 -2.171 3.377 6.952 188 HG3 ARG 23 1HG ARG 23 -3.182 4.196 5.769 189 HD2 ARG 23 2HD ARG 23 -5.175 3.433 7.000 190 HD3 ARG 23 1HD ARG 23 -4.125 2.696 8.210 191 HE ARG 23 HE ARG 23 -3.188 5.131 8.250 192 HH11 ARG 23 1HH1 ARG 23 -6.561 4.058 8.340 193 HH12 ARG 23 2HH1 ARG 23 -7.140 5.511 9.036 194 HH21 ARG 23 1HH2 ARG 23 -4.013 7.114 9.220 195 HH22 ARG 23 2HH2 ARG 23 -5.676 7.254 9.561 196 H CYS 24 H CYS 24 -1.013 -0.256 5.073 197 HA CYS 24 HA CYS 24 -2.175 -1.569 2.775 198 HB2 CYS 24 2HB CYS 24 -0.191 -0.302 1.984 199 HB3 CYS 24 1HB CYS 24 0.798 -1.197 3.125 200 H THR 25 H THR 25 -1.271 -3.905 2.713 201 HA THR 25 HA THR 25 -1.481 -5.011 5.382 202 HB THR 25 HB THR 25 -1.184 -6.541 2.790 203 HG1 THR 25 1HG THR 25 -3.321 -5.048 3.770 204 HG21 THR 25 1HG2 THR 25 -2.548 -8.207 3.982 205 HG22 THR 25 2HG2 THR 25 -2.645 -7.133 5.377 206 HG23 THR 25 3HG2 THR 25 -1.092 -7.816 4.898 207 H GLU 26 H GLU 26 0.636 -4.604 6.285 208 HA GLU 26 HA GLU 26 2.794 -6.129 4.996 209 HB2 GLU 26 2HB GLU 26 3.064 -3.696 6.776 210 HB3 GLU 26 1HB GLU 26 4.396 -4.670 6.192 211 HG2 GLU 26 2HG GLU 26 3.905 -4.032 3.918 212 HG3 GLU 26 1HG GLU 26 2.502 -3.111 4.463 Start of MODEL 10 1 H1 CYS 1 1HT CYS 1 -6.431 8.097 4.394 2 H2 CYS 1 2HT CYS 1 -6.816 8.999 3.023 3 H3 CYS 1 3HT CYS 1 -5.654 9.569 4.114 4 HA CYS 1 HA CYS 1 -4.686 8.621 2.111 5 HB2 CYS 1 2HB CYS 1 -4.157 6.996 4.628 6 HB3 CYS 1 1HB CYS 1 -3.077 7.176 3.260 7 H GLN 2 H GLN 2 -4.173 6.582 0.959 8 HA GLN 2 HA GLN 2 -6.499 5.038 0.451 9 HB2 GLN 2 2HB GLN 2 -3.637 4.559 -0.389 10 HB3 GLN 2 1HB GLN 2 -5.002 3.624 -0.960 11 HG2 GLN 2 2HG GLN 2 -4.670 6.578 -1.347 12 HG3 GLN 2 1HG GLN 2 -4.286 5.345 -2.553 13 HE21 GLN 2 1HE2 GLN 2 -5.976 4.243 -3.552 14 HE22 GLN 2 2HE2 GLN 2 -7.601 4.813 -3.483 15 H THR 3 H THR 3 -6.512 2.627 0.497 16 HA THR 3 HA THR 3 -5.073 1.481 2.752 17 HB THR 3 HB THR 3 -8.062 1.138 2.315 18 HG1 THR 3 1HG THR 3 -7.286 3.264 3.006 19 HG21 THR 3 1HG2 THR 3 -7.998 0.138 4.555 20 HG22 THR 3 2HG2 THR 3 -6.260 0.417 4.637 21 HG23 THR 3 3HG2 THR 3 -6.913 -0.721 3.460 22 H TRP 4 H TRP 4 -3.934 -0.017 1.670 23 HA TRP 4 HA TRP 4 -5.153 -1.447 -0.566 24 HB2 TRP 4 2HB TRP 4 -2.282 -1.520 0.371 25 HB3 TRP 4 1HB TRP 4 -2.922 -2.137 -1.145 26 HD1 TRP 4 HD TRP 4 -1.452 0.879 0.396 27 HE1 TRP 4 1HE TRP 4 -1.480 2.830 -1.275 28 HE3 TRP 4 3HE TRP 4 -4.517 -1.121 -3.130 29 HZ2 TRP 4 2HZ TRP 4 -2.634 3.451 -3.716 30 HZ3 TRP 4 3HZ TRP 4 -5.052 0.224 -5.136 31 HH2 TRP 4 HH TRP 4 -4.128 2.464 -5.421 32 H ARG 5 H ARG 5 -6.192 -3.202 0.052 33 HA ARG 5 HA ARG 5 -4.930 -4.799 2.128 34 HB2 ARG 5 2HB ARG 5 -7.871 -4.387 1.623 35 HB3 ARG 5 1HB ARG 5 -7.236 -5.671 2.651 36 HG2 ARG 5 2HG ARG 5 -6.146 -4.002 4.059 37 HG3 ARG 5 1HG ARG 5 -6.796 -2.727 3.035 38 HD2 ARG 5 2HD ARG 5 -9.035 -3.289 3.691 39 HD3 ARG 5 1HD ARG 5 -8.463 -4.707 4.578 40 HE ARG 5 HE ARG 5 -7.070 -2.672 5.657 41 HH11 ARG 5 1HH1 ARG 5 -10.538 -3.179 5.211 42 HH12 ARG 5 2HH1 ARG 5 -10.969 -2.324 6.622 43 HH21 ARG 5 1HH2 ARG 5 -7.669 -1.536 7.613 44 HH22 ARG 5 2HH2 ARG 5 -9.321 -1.380 8.005 45 H DAR 6 H DAR 6 -4.265 -6.608 1.629 46 HA DAR 6 HA DAR 6 -5.560 -8.382 -0.242 47 HB2 DAR 6 1HB DAR 6 -2.883 -8.593 1.147 48 HB3 DAR 6 2HB DAR 6 -3.705 -9.881 0.281 49 HG2 DAR 6 1HG DAR 6 -5.443 -9.972 1.896 50 HG3 DAR 6 2HG DAR 6 -4.758 -8.592 2.766 51 HD2 DAR 6 1HD DAR 6 -4.155 -10.766 3.792 52 HD3 DAR 6 2HD DAR 6 -2.749 -9.854 3.239 53 HE DAR 6 HE DAR 6 -3.694 -11.639 1.249 54 HH11 DAR 6 1HH2 DAR 6 -2.484 -13.533 0.713 55 HH12 DAR 6 2HH2 DAR 6 -1.311 -14.133 1.794 56 HH21 DAR 6 1HH1 DAR 6 -1.695 -11.548 4.185 57 HH22 DAR 6 2HH1 DAR 6 -0.838 -12.965 3.775 58 H VAL 7 H VAL 7 -2.329 -6.986 0.018 59 HA VAL 7 HA VAL 7 -1.912 -7.335 -2.840 60 HB VAL 7 HB VAL 7 -0.645 -5.189 -2.899 61 HG11 VAL 7 1HG1 VAL 7 -2.541 -3.623 -2.831 62 HG12 VAL 7 2HG1 VAL 7 -3.499 -4.851 -2.001 63 HG13 VAL 7 3HG1 VAL 7 -2.930 -5.137 -3.645 64 HG21 VAL 7 1HG2 VAL 7 -0.050 -5.025 -0.539 65 HG22 VAL 7 2HG2 VAL 7 -1.740 -4.742 -0.121 66 HG23 VAL 7 3HG2 VAL 7 -0.857 -3.553 -1.080 67 H SER 8 H SER 8 0.388 -7.606 -3.305 68 HA SER 8 HA SER 8 1.642 -9.043 -1.157 69 HB2 SER 8 2HB SER 8 3.410 -9.503 -2.858 70 HB3 SER 8 1HB SER 8 1.790 -9.932 -3.409 71 HG SER 8 HG SER 8 1.727 -8.007 -4.594 72 HA PRO 9 HA PRO 9 4.279 -5.948 0.706 73 HB2 PRO 9 2HB PRO 9 6.492 -7.845 0.011 74 HB3 PRO 9 1HB PRO 9 6.177 -6.993 1.528 75 HG2 PRO 9 2HG PRO 9 5.521 -9.539 1.304 76 HG3 PRO 9 1HG PRO 9 4.432 -8.411 2.124 77 HD2 PRO 9 2HD PRO 9 4.182 -9.650 -0.575 78 HD3 PRO 9 1HD PRO 9 2.921 -9.186 0.581 79 H GLU 10 H GLU 10 5.457 -7.357 -2.326 80 HA GLU 10 HA GLU 10 7.208 -5.274 -3.055 81 HB2 GLU 10 2HB GLU 10 7.310 -7.437 -4.143 82 HB3 GLU 10 1HB GLU 10 5.676 -7.246 -4.757 83 HG2 GLU 10 2HG GLU 10 6.371 -5.518 -6.247 84 HG3 GLU 10 1HG GLU 10 7.977 -5.474 -5.523 85 H GLU 11 H GLU 11 3.840 -5.868 -4.031 86 HA GLU 11 HA GLU 11 3.429 -3.492 -5.485 87 HB2 GLU 11 2HB GLU 11 1.461 -5.146 -3.891 88 HB3 GLU 11 1HB GLU 11 1.019 -3.895 -5.044 89 HG2 GLU 11 2HG GLU 11 1.930 -5.152 -6.838 90 HG3 GLU 11 1HG GLU 11 2.571 -6.371 -5.733 91 H CYS 12 H CYS 12 2.954 -4.386 -2.149 92 HA CYS 12 HA CYS 12 1.769 -2.123 -1.114 93 HB2 CYS 12 2HB CYS 12 2.133 -4.309 0.057 94 HB3 CYS 12 1HB CYS 12 3.822 -3.863 0.257 95 H ARG 13 H ARG 13 5.248 -2.884 -1.436 96 HA ARG 13 HA ARG 13 6.165 -0.497 -0.328 97 HB2 ARG 13 2HB ARG 13 7.716 -2.350 -0.584 98 HB3 ARG 13 1HB ARG 13 7.514 -2.320 -2.331 99 HG2 ARG 13 2HG ARG 13 9.610 -1.302 -1.743 100 HG3 ARG 13 1HG ARG 13 8.525 -0.080 -2.397 101 HD2 ARG 13 2HD ARG 13 7.921 0.412 0.070 102 HD3 ARG 13 1HD ARG 13 9.378 -0.502 0.453 103 HE ARG 13 HE ARG 13 9.872 1.492 -1.490 104 HH11 ARG 13 1HH1 ARG 13 9.581 0.978 1.999 105 HH12 ARG 13 2HH1 ARG 13 10.307 2.449 2.434 106 HH21 ARG 13 1HH2 ARG 13 10.823 3.606 -0.887 107 HH22 ARG 13 2HH2 ARG 13 11.049 3.939 0.762 108 H LYS 14 H LYS 14 5.497 -1.395 -3.692 109 HA LYS 14 HA LYS 14 6.401 1.068 -4.690 110 HB2 LYS 14 2HB LYS 14 6.213 -0.863 -6.170 111 HB3 LYS 14 1HB LYS 14 4.466 -0.863 -5.980 112 HG2 LYS 14 2HG LYS 14 4.230 1.144 -7.216 113 HG3 LYS 14 1HG LYS 14 5.957 1.479 -7.133 114 HD2 LYS 14 2HD LYS 14 6.431 -0.417 -8.565 115 HD3 LYS 14 1HD LYS 14 4.729 -0.866 -8.577 116 HE2 LYS 14 2HE LYS 14 5.432 0.302 -10.636 117 HE3 LYS 14 1HE LYS 14 4.151 1.132 -9.772 118 HZ1 LYS 14 1HZ LYS 14 7.021 1.882 -9.528 119 HZ2 LYS 14 2HZ LYS 14 5.656 2.800 -9.041 120 HZ3 LYS 14 3HZ LYS 14 5.981 2.544 -10.654 121 H TYR 15 H TYR 15 3.154 0.066 -3.704 122 HA TYR 15 HA TYR 15 1.879 2.483 -4.424 123 HB2 TYR 15 2HB TYR 15 1.156 0.576 -2.188 124 HB3 TYR 15 1HB TYR 15 0.128 1.872 -2.770 125 HD1 TYR 15 1HD TYR 15 0.483 1.533 -5.735 126 HD2 TYR 15 2HD TYR 15 -0.072 -1.336 -2.643 127 HE1 TYR 15 1HE TYR 15 -0.538 0.005 -7.342 128 HE2 TYR 15 2HE TYR 15 -1.083 -2.879 -4.253 129 HH TYR 15 HH TYR 15 -0.841 -2.482 -7.544 130 H LYS 16 H LYS 16 3.437 1.487 -1.422 131 HA LYS 16 HA LYS 16 2.944 3.765 0.130 132 HB2 LYS 16 2HB LYS 16 5.200 1.778 0.138 133 HB3 LYS 16 1HB LYS 16 5.123 3.110 1.280 134 HG2 LYS 16 2HG LYS 16 3.130 2.250 2.272 135 HG3 LYS 16 1HG LYS 16 2.935 1.063 0.983 136 HD2 LYS 16 2HD LYS 16 3.840 0.110 3.110 137 HD3 LYS 16 1HD LYS 16 4.876 -0.150 1.711 138 HE2 LYS 16 2HE LYS 16 6.229 0.477 3.605 139 HE3 LYS 16 1HE LYS 16 6.261 1.762 2.415 140 HZ1 LYS 16 1HZ LYS 16 4.735 1.709 4.955 141 HZ2 LYS 16 2HZ LYS 16 4.549 2.915 3.789 142 HZ3 LYS 16 3HZ LYS 16 6.029 2.711 4.557 143 H GLU 17 H GLU 17 5.600 3.025 -2.050 144 HA GLU 17 HA GLU 17 7.105 5.373 -1.592 145 HB2 GLU 17 2HB GLU 17 7.929 3.240 -2.615 146 HB3 GLU 17 1HB GLU 17 7.012 3.629 -4.057 147 HG2 GLU 17 2HG GLU 17 9.261 4.222 -4.489 148 HG3 GLU 17 1HG GLU 17 8.380 5.727 -4.234 149 H GLU 18 H GLU 18 4.695 4.422 -3.960 150 HA GLU 18 HA GLU 18 4.879 6.557 -5.754 151 HB2 GLU 18 2HB GLU 18 3.598 4.183 -5.673 152 HB3 GLU 18 1HB GLU 18 2.258 5.268 -5.348 153 HG2 GLU 18 2HG GLU 18 2.355 4.816 -7.688 154 HG3 GLU 18 1HG GLU 18 2.829 6.497 -7.420 155 H TYR 19 H TYR 19 2.391 5.932 -3.280 156 HA TYR 19 HA TYR 19 1.285 8.556 -3.816 157 HB2 TYR 19 2HB TYR 19 0.231 6.333 -2.091 158 HB3 TYR 19 1HB TYR 19 -0.622 7.819 -2.488 159 HD1 TYR 19 1HD TYR 19 -1.134 8.263 -4.954 160 HD2 TYR 19 2HD TYR 19 0.105 4.463 -3.512 161 HE1 TYR 19 1HE TYR 19 -2.043 7.210 -6.965 162 HE2 TYR 19 2HE TYR 19 -0.808 3.401 -5.529 163 HH TYR 19 HH TYR 19 -2.438 3.841 -7.266 164 H DSG 20 H DAS 20 3.033 7.002 -1.211 165 HA DSG 20 HA DAS 20 2.713 9.505 0.274 166 HB2 DSG 20 1HB DAS 20 4.967 7.515 0.255 167 HB3 DSG 20 2HB DAS 20 4.773 8.645 1.588 168 HD21 DSG 20 1HD2 DAS 20 5.562 8.325 -1.809 169 HD22 DSG 20 2HD2 DAS 20 6.177 9.918 -1.989 170 H CYS 21 H CYS 21 1.040 9.305 1.534 171 HA CYS 21 HA CYS 21 1.217 7.409 3.693 172 HB2 CYS 21 2HB CYS 21 0.652 9.687 4.246 173 HB3 CYS 21 1HB CYS 21 -0.715 9.657 3.137 174 H VAL 22 H VAL 22 0.535 5.444 3.241 175 HA VAL 22 HA VAL 22 -2.219 5.159 2.422 176 HB VAL 22 HB VAL 22 -1.730 3.305 0.877 177 HG11 VAL 22 1HG1 VAL 22 -1.908 5.506 -0.141 178 HG12 VAL 22 2HG1 VAL 22 -0.738 4.516 -1.017 179 HG13 VAL 22 3HG1 VAL 22 -0.185 5.760 0.100 180 HG21 VAL 22 1HG2 VAL 22 1.180 3.948 1.318 181 HG22 VAL 22 2HG2 VAL 22 0.545 2.844 0.095 182 HG23 VAL 22 3HG2 VAL 22 0.342 2.469 1.810 183 H ARG 23 H ARG 23 -3.136 3.265 3.273 184 HA ARG 23 HA ARG 23 -1.557 1.984 5.365 185 HB2 ARG 23 2HB ARG 23 -4.548 1.884 4.802 186 HB3 ARG 23 1HB ARG 23 -3.749 1.104 6.161 187 HG2 ARG 23 2HG ARG 23 -3.048 3.322 6.981 188 HG3 ARG 23 1HG ARG 23 -3.928 4.066 5.650 189 HD2 ARG 23 2HD ARG 23 -5.141 2.341 7.813 190 HD3 ARG 23 1HD ARG 23 -5.201 4.098 7.752 191 HE ARG 23 HE ARG 23 -6.309 2.752 5.441 192 HH11 ARG 23 1HH1 ARG 23 -6.984 4.247 8.568 193 HH12 ARG 23 2HH1 ARG 23 -8.664 4.320 8.333 194 HH21 ARG 23 1HH2 ARG 23 -8.577 2.860 5.104 195 HH22 ARG 23 2HH2 ARG 23 -9.619 3.493 6.304 196 H CYS 24 H CYS 24 -1.286 -0.304 5.274 197 HA CYS 24 HA CYS 24 -2.185 -1.625 2.856 198 HB2 CYS 24 2HB CYS 24 -0.176 -0.412 2.159 199 HB3 CYS 24 1HB CYS 24 0.730 -1.143 3.475 200 H THR 25 H THR 25 -2.146 -3.851 3.038 201 HA THR 25 HA THR 25 -1.578 -4.907 5.681 202 HB THR 25 HB THR 25 -2.706 -6.965 4.760 203 HG1 THR 25 1HG THR 25 -2.161 -6.245 2.601 204 HG21 THR 25 1HG2 THR 25 -4.968 -5.964 4.761 205 HG22 THR 25 2HG2 THR 25 -4.228 -4.365 4.586 206 HG23 THR 25 3HG2 THR 25 -3.955 -5.304 6.049 207 H GLU 26 H GLU 26 0.573 -5.281 5.848 208 HA GLU 26 HA GLU 26 1.762 -7.067 3.862 209 HB2 GLU 26 2HB GLU 26 2.831 -4.838 3.834 210 HB3 GLU 26 1HB GLU 26 3.115 -4.949 5.563 211 HG2 GLU 26 2HG GLU 26 4.623 -6.835 5.197 212 HG3 GLU 26 1HG GLU 26 4.320 -6.739 3.466 Start of MODEL 11 1 H1 CYS 1 1HT CYS 1 -4.911 9.784 3.032 2 H2 CYS 1 2HT CYS 1 -6.082 8.666 3.568 3 H3 CYS 1 3HT CYS 1 -5.861 8.927 1.926 4 HA CYS 1 HA CYS 1 -3.687 8.014 2.002 5 HB2 CYS 1 2HB CYS 1 -4.323 7.457 4.919 6 HB3 CYS 1 1HB CYS 1 -2.848 7.014 4.070 7 H GLN 2 H GLN 2 -4.385 6.460 0.636 8 HA GLN 2 HA GLN 2 -6.652 4.843 1.037 9 HB2 GLN 2 2HB GLN 2 -4.324 4.586 -0.847 10 HB3 GLN 2 1HB GLN 2 -5.665 3.462 -0.840 11 HG2 GLN 2 2HG GLN 2 -5.873 6.423 -1.325 12 HG3 GLN 2 1HG GLN 2 -5.929 5.162 -2.559 13 HE21 GLN 2 1HE2 GLN 2 -7.930 7.132 -1.862 14 HE22 GLN 2 2HE2 GLN 2 -9.347 6.234 -1.454 15 H THR 3 H THR 3 -6.893 2.701 1.576 16 HA THR 3 HA THR 3 -4.580 1.455 2.856 17 HB THR 3 HB THR 3 -7.527 0.874 3.308 18 HG1 THR 3 1HG THR 3 -6.769 2.929 4.064 19 HG21 THR 3 1HG2 THR 3 -5.054 -0.055 4.802 20 HG22 THR 3 2HG2 THR 3 -6.050 -1.052 3.746 21 HG23 THR 3 3HG2 THR 3 -6.720 -0.424 5.249 22 H TRP 4 H TRP 4 -3.775 -0.222 1.844 23 HA TRP 4 HA TRP 4 -5.319 -1.491 -0.298 24 HB2 TRP 4 2HB TRP 4 -2.343 -1.677 0.241 25 HB3 TRP 4 1HB TRP 4 -3.196 -2.169 -1.218 26 HD1 TRP 4 HD TRP 4 -1.399 0.718 0.279 27 HE1 TRP 4 1HE TRP 4 -1.589 2.775 -1.243 28 HE3 TRP 4 3HE TRP 4 -5.022 -0.940 -2.867 29 HZ2 TRP 4 2HZ TRP 4 -3.077 3.599 -3.459 30 HZ3 TRP 4 3HZ TRP 4 -5.792 0.555 -4.685 31 HH2 TRP 4 HH TRP 4 -4.837 2.775 -4.966 32 H ARG 5 H ARG 5 -6.281 -3.324 0.362 33 HA ARG 5 HA ARG 5 -5.064 -4.784 2.592 34 HB2 ARG 5 2HB ARG 5 -7.895 -4.824 1.570 35 HB3 ARG 5 1HB ARG 5 -7.280 -5.890 2.817 36 HG2 ARG 5 2HG ARG 5 -6.837 -3.953 4.243 37 HG3 ARG 5 1HG ARG 5 -7.478 -2.893 2.982 38 HD2 ARG 5 2HD ARG 5 -9.630 -4.031 3.095 39 HD3 ARG 5 1HD ARG 5 -8.995 -5.138 4.304 40 HE ARG 5 HE ARG 5 -8.870 -2.351 5.022 41 HH11 ARG 5 1HH1 ARG 5 -10.818 -5.321 5.115 42 HH12 ARG 5 2HH1 ARG 5 -11.750 -4.824 6.443 43 HH21 ARG 5 1HH2 ARG 5 -10.199 -1.666 6.853 44 HH22 ARG 5 2HH2 ARG 5 -11.413 -2.702 7.441 45 H DAR 6 H DAR 6 -3.899 -6.489 2.005 46 HA DAR 6 HA DAR 6 -5.132 -8.502 0.378 47 HB2 DAR 6 1HB DAR 6 -3.787 -9.054 2.388 48 HB3 DAR 6 2HB DAR 6 -2.358 -8.436 1.577 49 HG2 DAR 6 1HG DAR 6 -2.602 -10.151 -0.147 50 HG3 DAR 6 2HG DAR 6 -4.010 -10.796 0.698 51 HD2 DAR 6 1HD DAR 6 -2.588 -11.193 2.676 52 HD3 DAR 6 2HD DAR 6 -1.196 -10.633 1.751 53 HE DAR 6 HE DAR 6 -2.706 -12.786 0.571 54 HH11 DAR 6 1HH2 DAR 6 -1.737 -14.867 0.442 55 HH12 DAR 6 2HH2 DAR 6 -0.216 -15.160 1.178 56 HH21 DAR 6 1HH1 DAR 6 0.189 -11.846 2.366 57 HH22 DAR 6 2HH1 DAR 6 0.891 -13.400 2.304 58 H VAL 7 H VAL 7 -1.976 -6.871 0.161 59 HA VAL 7 HA VAL 7 -2.103 -7.269 -2.726 60 HB VAL 7 HB VAL 7 -0.875 -5.101 -3.020 61 HG11 VAL 7 1HG1 VAL 7 -2.817 -3.632 -2.738 62 HG12 VAL 7 2HG1 VAL 7 -3.577 -4.843 -1.703 63 HG13 VAL 7 3HG1 VAL 7 -3.277 -5.199 -3.404 64 HG21 VAL 7 1HG2 VAL 7 0.020 -4.901 -0.756 65 HG22 VAL 7 2HG2 VAL 7 -1.605 -4.639 -0.127 66 HG23 VAL 7 3HG2 VAL 7 -0.877 -3.453 -1.212 67 H SER 8 H SER 8 0.022 -7.310 -3.719 68 HA SER 8 HA SER 8 1.726 -9.090 -2.397 69 HB2 SER 8 2HB SER 8 1.474 -9.013 -4.832 70 HB3 SER 8 1HB SER 8 2.182 -7.400 -4.870 71 HG SER 8 HG SER 8 3.591 -9.123 -5.417 72 HA PRO 9 HA PRO 9 4.024 -6.502 0.421 73 HB2 PRO 9 2HB PRO 9 6.221 -8.279 -0.519 74 HB3 PRO 9 1HB PRO 9 5.788 -7.812 1.131 75 HG2 PRO 9 2HG PRO 9 5.096 -10.197 0.205 76 HG3 PRO 9 1HG PRO 9 3.980 -9.256 1.206 77 HD2 PRO 9 2HD PRO 9 3.880 -9.792 -1.718 78 HD3 PRO 9 1HD PRO 9 2.567 -9.506 -0.562 79 H GLU 10 H GLU 10 5.781 -7.352 -2.568 80 HA GLU 10 HA GLU 10 7.509 -5.126 -2.484 81 HB2 GLU 10 2HB GLU 10 7.977 -7.157 -3.795 82 HB3 GLU 10 1HB GLU 10 6.645 -6.759 -4.869 83 HG2 GLU 10 2HG GLU 10 7.805 -4.712 -5.537 84 HG3 GLU 10 1HG GLU 10 9.139 -5.134 -4.465 85 H GLU 11 H GLU 11 4.479 -5.709 -4.221 86 HA GLU 11 HA GLU 11 4.377 -3.207 -5.518 87 HB2 GLU 11 2HB GLU 11 2.093 -5.023 -4.710 88 HB3 GLU 11 1HB GLU 11 1.995 -3.719 -5.883 89 HG2 GLU 11 2HG GLU 11 3.705 -6.187 -6.164 90 HG3 GLU 11 1HG GLU 11 2.141 -5.945 -6.928 91 H CYS 12 H CYS 12 3.262 -4.384 -2.443 92 HA CYS 12 HA CYS 12 1.804 -2.275 -1.429 93 HB2 CYS 12 2HB CYS 12 1.886 -4.340 -0.229 94 HB3 CYS 12 1HB CYS 12 3.634 -4.270 -0.110 95 H ARG 13 H ARG 13 5.330 -2.805 -1.011 96 HA ARG 13 HA ARG 13 5.669 -0.264 0.201 97 HB2 ARG 13 2HB ARG 13 8.136 -0.609 -0.130 98 HB3 ARG 13 1HB ARG 13 7.332 -1.937 0.686 99 HG2 ARG 13 2HG ARG 13 7.288 -3.154 -1.470 100 HG3 ARG 13 1HG ARG 13 8.226 -1.847 -2.184 101 HD2 ARG 13 2HD ARG 13 10.023 -2.264 -0.580 102 HD3 ARG 13 1HD ARG 13 9.073 -3.557 0.153 103 HE ARG 13 HE ARG 13 9.584 -3.798 -2.676 104 HH11 ARG 13 1HH1 ARG 13 10.768 -4.657 0.560 105 HH12 ARG 13 2HH1 ARG 13 11.605 -6.045 0.025 106 HH21 ARG 13 1HH2 ARG 13 10.762 -5.769 -3.381 107 HH22 ARG 13 2HH2 ARG 13 11.581 -6.683 -2.203 108 H LYS 14 H LYS 14 5.799 -1.313 -3.117 109 HA LYS 14 HA LYS 14 6.730 1.109 -4.197 110 HB2 LYS 14 2HB LYS 14 5.031 -1.092 -5.368 111 HB3 LYS 14 1HB LYS 14 5.594 0.283 -6.311 112 HG2 LYS 14 2HG LYS 14 7.864 -0.346 -6.066 113 HG3 LYS 14 1HG LYS 14 7.480 -1.502 -4.796 114 HD2 LYS 14 2HD LYS 14 7.991 -2.606 -6.928 115 HD3 LYS 14 1HD LYS 14 6.345 -2.929 -6.402 116 HE2 LYS 14 2HE LYS 14 5.536 -1.209 -7.963 117 HE3 LYS 14 1HE LYS 14 7.194 -0.928 -8.494 118 HZ1 LYS 14 1HZ LYS 14 5.961 -2.439 -9.967 119 HZ2 LYS 14 2HZ LYS 14 5.767 -3.520 -8.683 120 HZ3 LYS 14 3HZ LYS 14 7.300 -3.190 -9.287 121 H TYR 15 H TYR 15 3.443 0.033 -3.360 122 HA TYR 15 HA TYR 15 2.095 2.323 -4.318 123 HB2 TYR 15 2HB TYR 15 1.332 0.536 -1.993 124 HB3 TYR 15 1HB TYR 15 0.287 1.759 -2.689 125 HD1 TYR 15 1HD TYR 15 -0.024 -1.343 -2.337 126 HD2 TYR 15 2HD TYR 15 0.977 1.150 -5.634 127 HE1 TYR 15 1HE TYR 15 -0.899 -3.031 -3.879 128 HE2 TYR 15 2HE TYR 15 0.101 -0.518 -7.170 129 HH TYR 15 HH TYR 15 -0.254 -2.934 -7.154 130 H LYS 16 H LYS 16 3.607 1.584 -1.248 131 HA LYS 16 HA LYS 16 2.884 3.917 0.126 132 HB2 LYS 16 2HB LYS 16 5.382 2.254 0.391 133 HB3 LYS 16 1HB LYS 16 4.935 3.561 1.477 134 HG2 LYS 16 2HG LYS 16 2.901 2.337 2.098 135 HG3 LYS 16 1HG LYS 16 3.377 1.022 1.022 136 HD2 LYS 16 2HD LYS 16 3.965 0.531 3.355 137 HD3 LYS 16 1HD LYS 16 5.404 0.662 2.345 138 HE2 LYS 16 2HE LYS 16 5.764 2.954 3.150 139 HE3 LYS 16 1HE LYS 16 4.308 2.836 4.138 140 HZ1 LYS 16 1HZ LYS 16 6.738 1.163 4.421 141 HZ2 LYS 16 2HZ LYS 16 5.371 1.082 5.392 142 HZ3 LYS 16 3HZ LYS 16 6.324 2.461 5.408 143 H GLU 17 H GLU 17 5.582 3.257 -1.983 144 HA GLU 17 HA GLU 17 6.822 5.785 -1.758 145 HB2 GLU 17 2HB GLU 17 7.879 3.731 -2.626 146 HB3 GLU 17 1HB GLU 17 6.859 3.822 -4.050 147 HG2 GLU 17 2HG GLU 17 7.926 5.912 -4.693 148 HG3 GLU 17 1HG GLU 17 8.916 5.857 -3.234 149 H GLU 18 H GLU 18 4.462 4.467 -3.971 150 HA GLU 18 HA GLU 18 4.355 6.576 -5.836 151 HB2 GLU 18 2HB GLU 18 3.632 4.279 -6.295 152 HB3 GLU 18 1HB GLU 18 2.312 4.465 -5.161 153 HG2 GLU 18 2HG GLU 18 1.521 4.623 -7.441 154 HG3 GLU 18 1HG GLU 18 1.308 6.157 -6.605 155 H TYR 19 H TYR 19 2.056 5.743 -3.228 156 HA TYR 19 HA TYR 19 0.650 8.217 -3.858 157 HB2 TYR 19 2HB TYR 19 -0.211 5.962 -2.069 158 HB3 TYR 19 1HB TYR 19 -1.214 7.306 -2.601 159 HD1 TYR 19 1HD TYR 19 -1.785 7.464 -5.084 160 HD2 TYR 19 2HD TYR 19 0.032 4.028 -3.361 161 HE1 TYR 19 1HE TYR 19 -2.466 6.128 -7.032 162 HE2 TYR 19 2HE TYR 19 -0.640 2.684 -5.291 163 HH TYR 19 HH TYR 19 -2.373 2.745 -7.056 164 H DSG 20 H DAS 20 3.068 7.389 -1.716 165 HA DSG 20 HA DAS 20 2.545 9.745 -0.227 166 HB2 DSG 20 1HB DAS 20 4.772 9.329 -1.038 167 HB3 DSG 20 2HB DAS 20 4.813 7.765 -0.248 168 HD21 DSG 20 1HD2 DAS 20 6.611 8.219 0.845 169 HD22 DSG 20 2HD2 DAS 20 6.653 9.314 2.166 170 H CYS 21 H CYS 21 0.837 9.372 1.074 171 HA CYS 21 HA CYS 21 1.367 7.721 3.412 172 HB2 CYS 21 2HB CYS 21 0.777 10.048 3.852 173 HB3 CYS 21 1HB CYS 21 -0.693 9.880 2.901 174 H VAL 22 H VAL 22 0.736 5.683 3.010 175 HA VAL 22 HA VAL 22 -2.078 5.259 2.562 176 HB VAL 22 HB VAL 22 -1.610 3.308 0.998 177 HG11 VAL 22 1HG1 VAL 22 -2.560 5.358 0.162 178 HG12 VAL 22 2HG1 VAL 22 -1.460 4.650 -1.021 179 HG13 VAL 22 3HG1 VAL 22 -0.949 6.037 -0.052 180 HG21 VAL 22 1HG2 VAL 22 0.474 3.351 -0.293 181 HG22 VAL 22 2HG2 VAL 22 0.774 3.075 1.424 182 HG23 VAL 22 3HG2 VAL 22 1.057 4.671 0.724 183 H ARG 23 H ARG 23 -2.705 3.110 3.114 184 HA ARG 23 HA ARG 23 -0.965 1.999 5.202 185 HB2 ARG 23 2HB ARG 23 -3.979 1.819 4.954 186 HB3 ARG 23 1HB ARG 23 -2.998 1.214 6.279 187 HG2 ARG 23 2HG ARG 23 -3.454 4.100 5.538 188 HG3 ARG 23 1HG ARG 23 -4.106 3.253 6.939 189 HD2 ARG 23 2HD ARG 23 -1.193 3.795 6.378 190 HD3 ARG 23 1HD ARG 23 -2.195 4.651 7.546 191 HE ARG 23 HE ARG 23 -2.409 2.085 8.304 192 HH11 ARG 23 1HH1 ARG 23 0.396 4.144 7.626 193 HH12 ARG 23 2HH1 ARG 23 1.400 3.443 8.804 194 HH21 ARG 23 1HH2 ARG 23 -1.033 1.093 9.935 195 HH22 ARG 23 2HH2 ARG 23 0.542 1.651 10.178 196 H CYS 24 H CYS 24 -0.763 -0.272 5.206 197 HA CYS 24 HA CYS 24 -1.838 -1.602 2.848 198 HB2 CYS 24 2HB CYS 24 0.402 -0.801 2.317 199 HB3 CYS 24 1HB CYS 24 1.035 -1.573 3.761 200 H THR 25 H THR 25 -2.720 -3.479 3.401 201 HA THR 25 HA THR 25 -1.968 -4.613 5.973 202 HB THR 25 HB THR 25 -4.376 -5.388 4.318 203 HG1 THR 25 1HG THR 25 -3.858 -3.065 5.728 204 HG21 THR 25 1HG2 THR 25 -5.263 -6.028 6.524 205 HG22 THR 25 2HG2 THR 25 -3.769 -5.484 7.283 206 HG23 THR 25 3HG2 THR 25 -3.747 -6.861 6.181 207 H GLU 26 H GLU 26 -0.233 -5.791 5.482 208 HA GLU 26 HA GLU 26 -0.483 -8.286 4.264 209 HB2 GLU 26 2HB GLU 26 -0.128 -7.105 2.142 210 HB3 GLU 26 1HB GLU 26 1.234 -6.228 2.817 211 HG2 GLU 26 2HG GLU 26 2.027 -7.960 1.324 212 HG3 GLU 26 1HG GLU 26 2.507 -8.321 2.974 Start of MODEL 12 1 H1 CYS 1 1HT CYS 1 -6.199 8.138 3.857 2 H2 CYS 1 2HT CYS 1 -4.982 8.749 4.876 3 H3 CYS 1 3HT CYS 1 -5.791 7.318 5.266 4 HA CYS 1 HA CYS 1 -4.155 7.644 2.872 5 HB2 CYS 1 2HB CYS 1 -3.495 6.201 5.467 6 HB3 CYS 1 1HB CYS 1 -2.462 6.331 4.048 7 H GLN 2 H GLN 2 -4.612 6.096 1.412 8 HA GLN 2 HA GLN 2 -6.810 4.408 1.723 9 HB2 GLN 2 2HB GLN 2 -4.600 4.255 -0.325 10 HB3 GLN 2 1HB GLN 2 -6.115 3.374 -0.418 11 HG2 GLN 2 2HG GLN 2 -5.761 6.361 -0.494 12 HG3 GLN 2 1HG GLN 2 -6.211 5.312 -1.836 13 HE21 GLN 2 1HE2 GLN 2 -7.618 7.565 -0.746 14 HE22 GLN 2 2HE2 GLN 2 -9.166 6.998 -0.244 15 H THR 3 H THR 3 -7.052 2.213 1.963 16 HA THR 3 HA THR 3 -4.781 0.869 3.217 17 HB THR 3 HB THR 3 -7.723 0.196 3.448 18 HG1 THR 3 1HG THR 3 -6.378 2.274 4.376 19 HG21 THR 3 1HG2 THR 3 -6.140 -1.616 4.050 20 HG22 THR 3 2HG2 THR 3 -6.985 -1.006 5.474 21 HG23 THR 3 3HG2 THR 3 -5.319 -0.519 5.161 22 H TRP 4 H TRP 4 -3.826 -0.490 1.890 23 HA TRP 4 HA TRP 4 -5.308 -1.714 -0.338 24 HB2 TRP 4 2HB TRP 4 -2.327 -1.583 0.140 25 HB3 TRP 4 1HB TRP 4 -3.136 -2.150 -1.315 26 HD1 TRP 4 HD TRP 4 -1.900 0.949 0.384 27 HE1 TRP 4 1HE TRP 4 -2.294 2.979 -1.163 28 HE3 TRP 4 3HE TRP 4 -4.869 -1.249 -3.126 29 HZ2 TRP 4 2HZ TRP 4 -3.646 3.569 -3.500 30 HZ3 TRP 4 3HZ TRP 4 -5.686 0.125 -5.008 31 HH2 TRP 4 HH TRP 4 -5.090 2.486 -5.188 32 H ARG 5 H ARG 5 -5.949 -3.770 -0.020 33 HA ARG 5 HA ARG 5 -4.255 -5.424 1.694 34 HB2 ARG 5 2HB ARG 5 -7.247 -5.756 1.388 35 HB3 ARG 5 1HB ARG 5 -6.193 -6.625 2.490 36 HG2 ARG 5 2HG ARG 5 -5.715 -4.362 3.575 37 HG3 ARG 5 1HG ARG 5 -7.067 -3.761 2.624 38 HD2 ARG 5 2HD ARG 5 -7.925 -4.341 4.754 39 HD3 ARG 5 1HD ARG 5 -8.456 -5.578 3.614 40 HE ARG 5 HE ARG 5 -6.010 -6.273 4.947 41 HH11 ARG 5 1HH1 ARG 5 -9.563 -6.459 5.212 42 HH12 ARG 5 2HH1 ARG 5 -9.496 -7.672 6.409 43 HH21 ARG 5 1HH2 ARG 5 -5.985 -7.882 6.594 44 HH22 ARG 5 2HH2 ARG 5 -7.454 -8.462 7.222 45 H DAR 6 H DAR 6 -4.380 -7.765 1.191 46 HA DAR 6 HA DAR 6 -5.267 -8.818 -1.225 47 HB2 DAR 6 1HB DAR 6 -4.359 -10.165 0.664 48 HB3 DAR 6 2HB DAR 6 -2.752 -9.546 0.324 49 HG2 DAR 6 1HG DAR 6 -2.891 -10.614 -1.927 50 HG3 DAR 6 2HG DAR 6 -4.414 -11.344 -1.422 51 HD2 DAR 6 1HD DAR 6 -1.736 -11.761 -0.101 52 HD3 DAR 6 2HD DAR 6 -2.550 -12.910 -1.152 53 HE DAR 6 HE DAR 6 -4.174 -12.175 1.069 54 HH11 DAR 6 1HH2 DAR 6 -4.486 -13.663 2.819 55 HH12 DAR 6 2HH2 DAR 6 -3.495 -15.033 3.004 56 HH21 DAR 6 1HH1 DAR 6 -1.528 -14.367 0.103 57 HH22 DAR 6 2HH1 DAR 6 -1.764 -15.432 1.413 58 H VAL 7 H VAL 7 -2.183 -7.343 -0.380 59 HA VAL 7 HA VAL 7 -1.514 -7.134 -3.200 60 HB VAL 7 HB VAL 7 -0.477 -4.917 -2.763 61 HG11 VAL 7 1HG1 VAL 7 -2.693 -4.990 -3.692 62 HG12 VAL 7 2HG1 VAL 7 -2.573 -3.617 -2.588 63 HG13 VAL 7 3HG1 VAL 7 -3.400 -5.087 -2.085 64 HG21 VAL 7 1HG2 VAL 7 -1.022 -3.673 -0.708 65 HG22 VAL 7 2HG2 VAL 7 -0.075 -5.121 -0.352 66 HG23 VAL 7 3HG2 VAL 7 -1.814 -5.107 -0.055 67 H SER 8 H SER 8 0.682 -7.289 -3.639 68 HA SER 8 HA SER 8 2.112 -8.968 -1.867 69 HB2 SER 8 2HB SER 8 3.841 -8.792 -3.668 70 HB3 SER 8 1HB SER 8 2.246 -9.264 -4.261 71 HG SER 8 HG SER 8 2.307 -7.612 -5.480 72 HA PRO 9 HA PRO 9 4.687 -6.020 0.340 73 HB2 PRO 9 2HB PRO 9 7.088 -7.423 -0.710 74 HB3 PRO 9 1HB PRO 9 6.639 -7.096 0.966 75 HG2 PRO 9 2HG PRO 9 6.452 -9.554 -0.049 76 HG3 PRO 9 1HG PRO 9 5.245 -8.937 1.090 77 HD2 PRO 9 2HD PRO 9 5.063 -9.272 -1.869 78 HD3 PRO 9 1HD PRO 9 3.814 -9.504 -0.631 79 H GLU 10 H GLU 10 5.543 -6.965 -2.898 80 HA GLU 10 HA GLU 10 7.139 -4.735 -3.555 81 HB2 GLU 10 2HB GLU 10 5.619 -6.597 -5.385 82 HB3 GLU 10 1HB GLU 10 6.864 -5.463 -5.890 83 HG2 GLU 10 2HG GLU 10 7.205 -7.877 -4.128 84 HG3 GLU 10 1HG GLU 10 7.837 -7.641 -5.758 85 H GLU 11 H GLU 11 3.705 -5.518 -4.346 86 HA GLU 11 HA GLU 11 3.114 -3.048 -5.502 87 HB2 GLU 11 2HB GLU 11 1.390 -5.059 -4.084 88 HB3 GLU 11 1HB GLU 11 0.715 -3.537 -4.641 89 HG2 GLU 11 2HG GLU 11 2.092 -5.559 -6.393 90 HG3 GLU 11 1HG GLU 11 0.346 -5.409 -6.197 91 H CYS 12 H CYS 12 2.914 -4.081 -2.143 92 HA CYS 12 HA CYS 12 1.837 -1.796 -1.004 93 HB2 CYS 12 2HB CYS 12 2.169 -3.859 0.264 94 HB3 CYS 12 1HB CYS 12 3.913 -3.690 0.132 95 H ARG 13 H ARG 13 5.292 -2.558 -1.521 96 HA ARG 13 HA ARG 13 6.361 -0.154 -0.534 97 HB2 ARG 13 2HB ARG 13 7.659 -2.231 -1.009 98 HB3 ARG 13 1HB ARG 13 7.463 -1.920 -2.726 99 HG2 ARG 13 2HG ARG 13 9.656 -1.205 -2.058 100 HG3 ARG 13 1HG ARG 13 8.687 0.222 -2.427 101 HD2 ARG 13 2HD ARG 13 10.006 0.515 -0.378 102 HD3 ARG 13 1HD ARG 13 8.275 0.584 -0.060 103 HE ARG 13 HE ARG 13 9.286 -2.042 0.228 104 HH11 ARG 13 1HH1 ARG 13 9.260 1.046 1.941 105 HH12 ARG 13 2HH1 ARG 13 9.257 0.351 3.497 106 HH21 ARG 13 1HH2 ARG 13 9.266 -2.994 2.341 107 HH22 ARG 13 2HH2 ARG 13 9.308 -2.001 3.731 108 H LYS 14 H LYS 14 5.410 -1.188 -3.719 109 HA LYS 14 HA LYS 14 6.171 1.026 -5.195 110 HB2 LYS 14 2HB LYS 14 5.801 -0.996 -6.284 111 HB3 LYS 14 1HB LYS 14 4.236 -1.210 -5.546 112 HG2 LYS 14 2HG LYS 14 3.238 0.322 -7.041 113 HG3 LYS 14 1HG LYS 14 4.816 0.871 -7.632 114 HD2 LYS 14 2HD LYS 14 5.261 -1.164 -8.700 115 HD3 LYS 14 1HD LYS 14 4.018 -2.009 -7.785 116 HE2 LYS 14 2HE LYS 14 3.435 0.146 -9.791 117 HE3 LYS 14 1HE LYS 14 3.498 -1.570 -10.188 118 HZ1 LYS 14 1HZ LYS 14 1.255 -0.916 -9.777 119 HZ2 LYS 14 2HZ LYS 14 1.629 -0.287 -8.262 120 HZ3 LYS 14 3HZ LYS 14 1.750 -1.962 -8.541 121 H TYR 15 H TYR 15 3.045 0.370 -3.589 122 HA TYR 15 HA TYR 15 1.812 2.756 -4.541 123 HB2 TYR 15 2HB TYR 15 1.143 1.207 -2.023 124 HB3 TYR 15 1HB TYR 15 0.140 2.446 -2.757 125 HD1 TYR 15 1HD TYR 15 -0.104 -0.717 -2.121 126 HD2 TYR 15 2HD TYR 15 0.257 1.669 -5.619 127 HE1 TYR 15 1HE TYR 15 -1.221 -2.457 -3.417 128 HE2 TYR 15 2HE TYR 15 -0.866 -0.057 -6.920 129 HH TYR 15 HH TYR 15 -1.089 -2.617 -6.655 130 H LYS 16 H LYS 16 3.594 1.950 -1.629 131 HA LYS 16 HA LYS 16 3.323 4.421 -0.300 132 HB2 LYS 16 2HB LYS 16 5.572 2.395 -0.197 133 HB3 LYS 16 1HB LYS 16 5.402 3.748 0.913 134 HG2 LYS 16 2HG LYS 16 3.404 2.840 1.846 135 HG3 LYS 16 1HG LYS 16 3.298 1.621 0.579 136 HD2 LYS 16 2HD LYS 16 4.109 0.615 2.635 137 HD3 LYS 16 1HD LYS 16 5.374 0.595 1.413 138 HE2 LYS 16 2HE LYS 16 6.345 1.204 3.509 139 HE3 LYS 16 1HE LYS 16 6.344 2.626 2.475 140 HZ1 LYS 16 1HZ LYS 16 5.664 3.155 4.716 141 HZ2 LYS 16 2HZ LYS 16 4.409 2.064 4.667 142 HZ3 LYS 16 3HZ LYS 16 4.372 3.431 3.684 143 H GLU 17 H GLU 17 5.765 3.232 -2.523 144 HA GLU 17 HA GLU 17 7.410 5.514 -2.591 145 HB2 GLU 17 2HB GLU 17 8.031 3.223 -3.304 146 HB3 GLU 17 1HB GLU 17 6.947 3.373 -4.669 147 HG2 GLU 17 2HG GLU 17 8.336 5.165 -5.571 148 HG3 GLU 17 1HG GLU 17 9.416 5.014 -4.182 149 H GLU 18 H GLU 18 4.560 4.578 -4.358 150 HA GLU 18 HA GLU 18 4.666 6.511 -6.430 151 HB2 GLU 18 2HB GLU 18 3.329 4.375 -6.452 152 HB3 GLU 18 1HB GLU 18 2.258 5.111 -5.290 153 HG2 GLU 18 2HG GLU 18 1.316 5.196 -7.511 154 HG3 GLU 18 1HG GLU 18 1.632 6.817 -6.895 155 H TYR 19 H TYR 19 2.604 6.326 -3.537 156 HA TYR 19 HA TYR 19 1.730 9.065 -4.083 157 HB2 TYR 19 2HB TYR 19 0.527 7.009 -2.240 158 HB3 TYR 19 1HB TYR 19 -0.141 8.599 -2.581 159 HD1 TYR 19 1HD TYR 19 -0.788 9.108 -5.015 160 HD2 TYR 19 2HD TYR 19 -0.021 5.171 -3.593 161 HE1 TYR 19 1HE TYR 19 -2.010 8.183 -6.925 162 HE2 TYR 19 2HE TYR 19 -1.242 4.236 -5.506 163 HH TYR 19 HH TYR 19 -2.981 4.969 -7.083 164 H DSG 20 H DAS 20 2.755 7.155 -1.244 165 HA DSG 20 HA DAS 20 2.948 9.668 0.247 166 HB2 DSG 20 1HB DAS 20 5.014 7.439 0.400 167 HB3 DSG 20 2HB DAS 20 4.997 8.879 1.399 168 HD21 DSG 20 1HD2 DAS 20 5.822 7.559 -1.614 169 HD22 DSG 20 2HD2 DAS 20 6.697 8.911 -2.243 170 H CYS 21 H CYS 21 1.302 9.382 1.653 171 HA CYS 21 HA CYS 21 1.574 7.175 3.463 172 HB2 CYS 21 2HB CYS 21 1.056 9.433 4.327 173 HB3 CYS 21 1HB CYS 21 -0.495 9.373 3.496 174 H VAL 22 H VAL 22 0.970 5.308 2.637 175 HA VAL 22 HA VAL 22 -1.875 4.944 2.322 176 HB VAL 22 HB VAL 22 -1.547 3.239 0.544 177 HG11 VAL 22 1HG1 VAL 22 -1.090 4.713 -1.373 178 HG12 VAL 22 2HG1 VAL 22 -0.537 5.959 -0.249 179 HG13 VAL 22 3HG1 VAL 22 -2.213 5.407 -0.207 180 HG21 VAL 22 1HG2 VAL 22 0.758 2.622 0.951 181 HG22 VAL 22 2HG2 VAL 22 1.291 4.223 0.421 182 HG23 VAL 22 3HG2 VAL 22 0.521 3.121 -0.727 183 H ARG 23 H ARG 23 -2.520 2.828 3.099 184 HA ARG 23 HA ARG 23 -0.415 1.724 4.785 185 HB2 ARG 23 2HB ARG 23 -2.329 3.035 5.873 186 HB3 ARG 23 1HB ARG 23 -3.361 1.699 5.388 187 HG2 ARG 23 2HG ARG 23 -2.725 1.415 7.641 188 HG3 ARG 23 1HG ARG 23 -1.900 0.169 6.686 189 HD2 ARG 23 2HD ARG 23 0.123 1.626 6.650 190 HD3 ARG 23 1HD ARG 23 -0.725 2.762 7.693 191 HE ARG 23 HE ARG 23 -0.547 0.084 8.718 192 HH11 ARG 23 1HH1 ARG 23 0.921 3.325 8.646 193 HH12 ARG 23 2HH1 ARG 23 1.985 2.995 9.923 194 HH21 ARG 23 1HH2 ARG 23 0.939 -0.327 10.451 195 HH22 ARG 23 2HH2 ARG 23 1.995 0.925 10.981 196 H CYS 24 H CYS 24 -0.056 -0.388 4.490 197 HA CYS 24 HA CYS 24 -1.762 -1.803 2.624 198 HB2 CYS 24 2HB CYS 24 0.840 -2.687 3.893 199 HB3 CYS 24 1HB CYS 24 0.035 -3.414 2.506 200 H THR 25 H THR 25 -2.131 -4.182 3.209 201 HA THR 25 HA THR 25 -3.641 -4.301 5.557 202 HB THR 25 HB THR 25 -4.182 -5.667 3.599 203 HG1 THR 25 1HG THR 25 -3.629 -7.616 5.508 204 HG21 THR 25 1HG2 THR 25 -2.878 -7.711 3.064 205 HG22 THR 25 2HG2 THR 25 -1.688 -7.239 4.272 206 HG23 THR 25 3HG2 THR 25 -1.932 -6.243 2.842 207 H GLU 26 H GLU 26 -3.282 -5.172 7.510 208 HA GLU 26 HA GLU 26 -0.659 -6.263 8.097 209 HB2 GLU 26 2HB GLU 26 -2.104 -4.089 9.637 210 HB3 GLU 26 1HB GLU 26 -0.644 -4.906 10.179 211 HG2 GLU 26 2HG GLU 26 0.641 -3.952 8.420 212 HG3 GLU 26 1HG GLU 26 -0.803 -3.344 7.616 Start of MODEL 13 1 H1 CYS 1 1HT CYS 1 -6.688 7.882 4.593 2 H2 CYS 1 2HT CYS 1 -7.175 8.556 3.133 3 H3 CYS 1 3HT CYS 1 -6.101 9.405 4.117 4 HA CYS 1 HA CYS 1 -4.985 8.415 2.259 5 HB2 CYS 1 2HB CYS 1 -4.365 7.013 4.885 6 HB3 CYS 1 1HB CYS 1 -3.276 7.159 3.516 7 H GLN 2 H GLN 2 -4.589 6.634 0.934 8 HA GLN 2 HA GLN 2 -6.710 4.840 0.596 9 HB2 GLN 2 2HB GLN 2 -3.881 4.645 -0.484 10 HB3 GLN 2 1HB GLN 2 -5.234 3.691 -1.032 11 HG2 GLN 2 2HG GLN 2 -4.772 5.430 -2.629 12 HG3 GLN 2 1HG GLN 2 -6.325 5.743 -1.868 13 HE21 GLN 2 1HE2 GLN 2 -6.218 7.909 -2.447 14 HE22 GLN 2 2HE2 GLN 2 -5.157 9.021 -1.657 15 H THR 3 H THR 3 -6.852 2.618 0.968 16 HA THR 3 HA THR 3 -4.834 1.503 2.767 17 HB THR 3 HB THR 3 -7.823 0.942 2.872 18 HG1 THR 3 1HG THR 3 -6.725 3.096 3.642 19 HG21 THR 3 1HG2 THR 3 -7.269 -0.163 5.017 20 HG22 THR 3 2HG2 THR 3 -5.562 0.184 4.754 21 HG23 THR 3 3HG2 THR 3 -6.413 -0.918 3.672 22 H TRP 4 H TRP 4 -3.765 0.108 1.553 23 HA TRP 4 HA TRP 4 -5.044 -1.205 -0.681 24 HB2 TRP 4 2HB TRP 4 -2.165 -1.320 0.249 25 HB3 TRP 4 1HB TRP 4 -2.787 -1.907 -1.293 26 HD1 TRP 4 HD TRP 4 -1.325 1.108 0.266 27 HE1 TRP 4 1HE TRP 4 -1.541 3.138 -1.315 28 HE3 TRP 4 3HE TRP 4 -4.570 -0.850 -3.111 29 HZ2 TRP 4 2HZ TRP 4 -2.916 3.821 -3.664 30 HZ3 TRP 4 3HZ TRP 4 -5.313 0.553 -5.009 31 HH2 TRP 4 HH TRP 4 -4.496 2.844 -5.273 32 H ARG 5 H ARG 5 -6.010 -3.028 -0.442 33 HA ARG 5 HA ARG 5 -5.485 -4.659 1.928 34 HB2 ARG 5 2HB ARG 5 -7.822 -4.605 0.035 35 HB3 ARG 5 1HB ARG 5 -7.693 -5.595 1.479 36 HG2 ARG 5 2HG ARG 5 -7.749 -3.680 2.895 37 HG3 ARG 5 1HG ARG 5 -7.610 -2.592 1.513 38 HD2 ARG 5 2HD ARG 5 -9.917 -4.451 2.074 39 HD3 ARG 5 1HD ARG 5 -9.913 -2.704 2.328 40 HE ARG 5 HE ARG 5 -9.239 -3.492 -0.347 41 HH11 ARG 5 1HH1 ARG 5 -11.952 -2.838 1.788 42 HH12 ARG 5 2HH1 ARG 5 -13.018 -2.402 0.529 43 HH21 ARG 5 1HH2 ARG 5 -10.642 -2.855 -2.063 44 HH22 ARG 5 2HH2 ARG 5 -12.229 -2.372 -1.737 45 H DAR 6 H DAR 6 -4.806 -6.658 1.759 46 HA DAR 6 HA DAR 6 -5.142 -8.556 -0.210 47 HB2 DAR 6 1HB DAR 6 -2.903 -8.157 1.751 48 HB3 DAR 6 2HB DAR 6 -2.937 -9.520 0.649 49 HG2 DAR 6 1HG DAR 6 -4.936 -10.369 1.621 50 HG3 DAR 6 2HG DAR 6 -5.123 -8.924 2.612 51 HD2 DAR 6 1HD DAR 6 -4.155 -10.960 3.781 52 HD3 DAR 6 2HD DAR 6 -3.242 -9.467 3.940 53 HE DAR 6 HE DAR 6 -1.995 -10.538 1.880 54 HH11 DAR 6 1HH2 DAR 6 -0.152 -11.895 1.982 55 HH12 DAR 6 2HH2 DAR 6 -0.026 -13.058 3.221 56 HH21 DAR 6 1HH1 DAR 6 -3.037 -12.211 4.842 57 HH22 DAR 6 2HH1 DAR 6 -1.679 -13.224 4.862 58 H VAL 7 H VAL 7 -2.146 -6.737 0.239 59 HA VAL 7 HA VAL 7 -1.592 -7.164 -2.579 60 HB VAL 7 HB VAL 7 -0.236 -5.024 -2.491 61 HG11 VAL 7 1HG1 VAL 7 -2.452 -5.031 -3.497 62 HG12 VAL 7 2HG1 VAL 7 -2.144 -3.504 -2.678 63 HG13 VAL 7 3HG1 VAL 7 -3.181 -4.717 -1.924 64 HG21 VAL 7 1HG2 VAL 7 -0.721 -3.406 -0.716 65 HG22 VAL 7 2HG2 VAL 7 0.048 -4.858 -0.066 66 HG23 VAL 7 3HG2 VAL 7 -1.691 -4.614 0.121 67 H SER 8 H SER 8 0.500 -7.717 -3.069 68 HA SER 8 HA SER 8 1.924 -9.143 -1.038 69 HB2 SER 8 2HB SER 8 2.825 -8.432 -3.844 70 HB3 SER 8 1HB SER 8 3.339 -9.806 -2.864 71 HG SER 8 HG SER 8 0.884 -9.326 -4.139 72 HA PRO 9 HA PRO 9 4.732 -5.995 0.490 73 HB2 PRO 9 2HB PRO 9 6.889 -7.810 -0.525 74 HB3 PRO 9 1HB PRO 9 6.778 -6.976 1.035 75 HG2 PRO 9 2HG PRO 9 6.168 -9.524 0.922 76 HG3 PRO 9 1HG PRO 9 5.105 -8.421 1.816 77 HD2 PRO 9 2HD PRO 9 4.704 -9.655 -0.881 78 HD3 PRO 9 1HD PRO 9 3.523 -9.345 0.407 79 H GLU 10 H GLU 10 5.628 -7.357 -2.652 80 HA GLU 10 HA GLU 10 7.216 -5.237 -3.592 81 HB2 GLU 10 2HB GLU 10 5.435 -7.056 -5.242 82 HB3 GLU 10 1HB GLU 10 6.740 -6.072 -5.870 83 HG2 GLU 10 2HG GLU 10 7.499 -8.333 -5.776 84 HG3 GLU 10 1HG GLU 10 8.323 -7.443 -4.500 85 H GLU 11 H GLU 11 3.810 -5.959 -4.129 86 HA GLU 11 HA GLU 11 3.059 -3.663 -5.566 87 HB2 GLU 11 2HB GLU 11 1.377 -5.346 -3.694 88 HB3 GLU 11 1HB GLU 11 0.764 -4.300 -4.967 89 HG2 GLU 11 2HG GLU 11 1.765 -5.750 -6.643 90 HG3 GLU 11 1HG GLU 11 2.440 -6.772 -5.377 91 H CYS 12 H CYS 12 3.018 -4.485 -2.170 92 HA CYS 12 HA CYS 12 1.736 -2.308 -1.065 93 HB2 CYS 12 2HB CYS 12 2.297 -4.373 0.147 94 HB3 CYS 12 1HB CYS 12 3.998 -3.935 0.093 95 H ARG 13 H ARG 13 5.282 -2.796 -1.329 96 HA ARG 13 HA ARG 13 5.942 -0.227 -0.422 97 HB2 ARG 13 2HB ARG 13 7.522 -2.152 -0.532 98 HB3 ARG 13 1HB ARG 13 7.587 -1.948 -2.279 99 HG2 ARG 13 2HG ARG 13 8.375 0.398 -1.877 100 HG3 ARG 13 1HG ARG 13 8.502 -0.015 -0.169 101 HD2 ARG 13 2HD ARG 13 10.654 -0.230 -1.211 102 HD3 ARG 13 1HD ARG 13 10.062 -1.834 -0.774 103 HE ARG 13 HE ARG 13 9.424 -2.114 -3.103 104 HH11 ARG 13 1HH1 ARG 13 11.834 0.390 -2.404 105 HH12 ARG 13 2HH1 ARG 13 12.536 0.350 -3.945 106 HH21 ARG 13 1HH2 ARG 13 10.385 -2.154 -5.221 107 HH22 ARG 13 2HH2 ARG 13 11.701 -1.146 -5.589 108 H LYS 14 H LYS 14 5.298 -1.507 -3.625 109 HA LYS 14 HA LYS 14 6.142 0.594 -5.223 110 HB2 LYS 14 2HB LYS 14 5.342 -1.598 -6.041 111 HB3 LYS 14 1HB LYS 14 3.708 -1.162 -5.580 112 HG2 LYS 14 2HG LYS 14 3.756 0.667 -7.215 113 HG3 LYS 14 1HG LYS 14 5.382 0.169 -7.695 114 HD2 LYS 14 2HD LYS 14 4.481 -2.062 -8.284 115 HD3 LYS 14 1HD LYS 14 2.862 -1.480 -7.896 116 HE2 LYS 14 2HE LYS 14 4.683 -0.362 -10.025 117 HE3 LYS 14 1HE LYS 14 3.292 -1.405 -10.302 118 HZ1 LYS 14 1HZ LYS 14 1.868 0.321 -9.389 119 HZ2 LYS 14 2HZ LYS 14 2.774 0.930 -10.671 120 HZ3 LYS 14 3HZ LYS 14 3.194 1.301 -9.090 121 H TYR 15 H TYR 15 2.900 0.069 -3.840 122 HA TYR 15 HA TYR 15 1.861 2.555 -4.678 123 HB2 TYR 15 2HB TYR 15 0.920 0.633 -2.557 124 HB3 TYR 15 1HB TYR 15 0.055 2.109 -2.953 125 HD1 TYR 15 1HD TYR 15 -0.679 2.386 -5.419 126 HD2 TYR 15 2HD TYR 15 0.457 -1.337 -3.728 127 HE1 TYR 15 1HE TYR 15 -1.906 1.219 -7.183 128 HE2 TYR 15 2HE TYR 15 -0.769 -2.520 -5.502 129 HH TYR 15 HH TYR 15 -1.904 -0.935 -8.276 130 H LYS 16 H LYS 16 3.368 1.524 -1.671 131 HA LYS 16 HA LYS 16 2.879 3.863 -0.193 132 HB2 LYS 16 2HB LYS 16 5.174 1.906 0.025 133 HB3 LYS 16 1HB LYS 16 4.851 3.185 1.186 134 HG2 LYS 16 2HG LYS 16 2.721 2.185 1.756 135 HG3 LYS 16 1HG LYS 16 2.940 0.952 0.515 136 HD2 LYS 16 2HD LYS 16 3.456 0.031 2.697 137 HD3 LYS 16 1HD LYS 16 4.927 0.126 1.733 138 HE2 LYS 16 2HE LYS 16 5.561 2.172 2.895 139 HE3 LYS 16 1HE LYS 16 4.081 2.111 3.847 140 HZ1 LYS 16 1HZ LYS 16 5.945 1.253 5.081 141 HZ2 LYS 16 2HZ LYS 16 6.278 0.118 3.883 142 HZ3 LYS 16 3HZ LYS 16 4.855 -0.006 4.781 143 H GLU 17 H GLU 17 5.628 2.997 -2.231 144 HA GLU 17 HA GLU 17 7.037 5.409 -1.752 145 HB2 GLU 17 2HB GLU 17 8.054 3.239 -2.437 146 HB3 GLU 17 1HB GLU 17 7.322 3.436 -4.016 147 HG2 GLU 17 2HG GLU 17 8.653 5.403 -4.433 148 HG3 GLU 17 1HG GLU 17 9.335 5.315 -2.809 149 H GLU 18 H GLU 18 4.638 4.406 -4.091 150 HA GLU 18 HA GLU 18 5.061 6.633 -5.831 151 HB2 GLU 18 2HB GLU 18 4.169 4.468 -6.602 152 HB3 GLU 18 1HB GLU 18 2.729 4.726 -5.638 153 HG2 GLU 18 2HG GLU 18 2.076 6.573 -7.015 154 HG3 GLU 18 1HG GLU 18 3.593 6.493 -7.913 155 H TYR 19 H TYR 19 2.978 6.030 -3.072 156 HA TYR 19 HA TYR 19 1.660 8.606 -3.545 157 HB2 TYR 19 2HB TYR 19 0.792 6.242 -1.920 158 HB3 TYR 19 1HB TYR 19 0.031 7.818 -1.759 159 HD1 TYR 19 1HD TYR 19 0.679 5.036 -4.108 160 HD2 TYR 19 2HD TYR 19 -1.544 8.575 -3.335 161 HE1 TYR 19 1HE TYR 19 -0.790 4.520 -5.996 162 HE2 TYR 19 2HE TYR 19 -3.018 8.076 -5.207 163 HH TYR 19 HH TYR 19 -2.946 6.805 -7.264 164 H DSG 20 H DAS 20 2.416 6.858 -0.528 165 HA DSG 20 HA DAS 20 2.872 9.463 0.713 166 HB2 DSG 20 1HB DAS 20 4.703 7.064 1.065 167 HB3 DSG 20 2HB DAS 20 4.754 8.504 2.069 168 HD21 DSG 20 1HD2 DAS 20 5.541 7.148 -0.960 169 HD22 DSG 20 2HD2 DAS 20 6.504 8.452 -1.562 170 H CYS 21 H CYS 21 1.101 9.490 1.939 171 HA CYS 21 HA CYS 21 0.915 7.619 4.090 172 HB2 CYS 21 2HB CYS 21 0.300 9.984 4.455 173 HB3 CYS 21 1HB CYS 21 -1.014 9.820 3.295 174 H VAL 22 H VAL 22 0.555 5.672 3.195 175 HA VAL 22 HA VAL 22 -2.210 5.183 2.516 176 HB VAL 22 HB VAL 22 -1.588 3.474 0.809 177 HG11 VAL 22 1HG1 VAL 22 -0.575 6.210 0.103 178 HG12 VAL 22 2HG1 VAL 22 -2.254 5.700 0.070 179 HG13 VAL 22 3HG1 VAL 22 -1.088 4.969 -1.040 180 HG21 VAL 22 1HG2 VAL 22 1.183 4.635 1.026 181 HG22 VAL 22 2HG2 VAL 22 0.637 3.491 -0.204 182 HG23 VAL 22 3HG2 VAL 22 0.687 3.004 1.493 183 H ARG 23 H ARG 23 -2.932 3.260 3.245 184 HA ARG 23 HA ARG 23 -1.222 2.000 5.245 185 HB2 ARG 23 2HB ARG 23 -4.197 1.851 4.762 186 HB3 ARG 23 1HB ARG 23 -3.346 0.986 6.035 187 HG2 ARG 23 2HG ARG 23 -2.710 3.081 7.064 188 HG3 ARG 23 1HG ARG 23 -3.479 3.977 5.750 189 HD2 ARG 23 2HD ARG 23 -4.926 3.883 7.706 190 HD3 ARG 23 1HD ARG 23 -5.632 3.011 6.348 191 HE ARG 23 HE ARG 23 -4.105 1.430 8.231 192 HH11 ARG 23 1HH1 ARG 23 -7.296 2.469 7.114 193 HH12 ARG 23 2HH1 ARG 23 -8.135 1.339 8.080 194 HH21 ARG 23 1HH2 ARG 23 -5.293 -0.142 9.533 195 HH22 ARG 23 2HH2 ARG 23 -6.990 -0.156 9.443 196 H CYS 24 H CYS 24 -0.942 -0.241 5.203 197 HA CYS 24 HA CYS 24 -1.636 -1.481 2.654 198 HB2 CYS 24 2HB CYS 24 0.705 -0.717 2.652 199 HB3 CYS 24 1HB CYS 24 1.000 -1.617 4.130 200 H THR 25 H THR 25 -1.521 -3.862 2.828 201 HA THR 25 HA THR 25 -2.382 -4.704 5.485 202 HB THR 25 HB THR 25 -2.767 -6.151 2.846 203 HG1 THR 25 1HG THR 25 -3.894 -4.085 3.064 204 HG21 THR 25 1HG2 THR 25 -4.067 -6.524 5.550 205 HG22 THR 25 2HG2 THR 25 -2.843 -7.576 4.848 206 HG23 THR 25 3HG2 THR 25 -4.431 -7.442 4.090 207 H GLU 26 H GLU 26 -1.022 -5.829 6.620 208 HA GLU 26 HA GLU 26 0.606 -7.152 7.338 209 HB2 GLU 26 2HB GLU 26 0.539 -8.298 4.540 210 HB3 GLU 26 1HB GLU 26 1.507 -8.965 5.847 211 HG2 GLU 26 2HG GLU 26 -1.499 -8.737 5.824 212 HG3 GLU 26 1HG GLU 26 -0.583 -10.207 5.503 Start of MODEL 14 1 H1 CYS 1 1HT CYS 1 -5.915 9.021 1.099 2 H2 CYS 1 2HT CYS 1 -5.235 9.893 2.363 3 H3 CYS 1 3HT CYS 1 -6.562 8.856 2.653 4 HA CYS 1 HA CYS 1 -3.875 8.085 1.766 5 HB2 CYS 1 2HB CYS 1 -5.242 7.658 4.437 6 HB3 CYS 1 1HB CYS 1 -3.655 7.054 3.985 7 H GLN 2 H GLN 2 -4.197 6.590 0.287 8 HA GLN 2 HA GLN 2 -6.413 4.871 0.046 9 HB2 GLN 2 2HB GLN 2 -3.614 4.682 -1.087 10 HB3 GLN 2 1HB GLN 2 -4.950 3.656 -1.563 11 HG2 GLN 2 2HG GLN 2 -4.972 6.649 -1.842 12 HG3 GLN 2 1HG GLN 2 -4.457 5.541 -3.116 13 HE21 GLN 2 1HE2 GLN 2 -6.680 7.417 -3.058 14 HE22 GLN 2 2HE2 GLN 2 -8.098 6.474 -3.340 15 H THR 3 H THR 3 -6.551 2.614 0.438 16 HA THR 3 HA THR 3 -4.523 1.591 2.250 17 HB THR 3 HB THR 3 -6.640 1.961 3.464 18 HG1 THR 3 1HG THR 3 -5.263 0.038 3.856 19 HG21 THR 3 1HG2 THR 3 -8.245 1.738 1.636 20 HG22 THR 3 2HG2 THR 3 -8.652 0.608 2.929 21 HG23 THR 3 3HG2 THR 3 -7.846 0.028 1.471 22 H TRP 4 H TRP 4 -3.789 -0.451 1.903 23 HA TRP 4 HA TRP 4 -4.726 -1.850 -0.506 24 HB2 TRP 4 2HB TRP 4 -1.828 -1.669 0.371 25 HB3 TRP 4 1HB TRP 4 -2.458 -2.273 -1.155 26 HD1 TRP 4 HD TRP 4 -1.064 0.765 0.417 27 HE1 TRP 4 1HE TRP 4 -1.281 2.781 -1.166 28 HE3 TRP 4 3HE TRP 4 -4.213 -1.251 -3.027 29 HZ2 TRP 4 2HZ TRP 4 -2.596 3.434 -3.530 30 HZ3 TRP 4 3HZ TRP 4 -4.921 0.144 -4.940 31 HH2 TRP 4 HH TRP 4 -4.125 2.443 -5.177 32 H ARG 5 H ARG 5 -5.528 -3.693 0.320 33 HA ARG 5 HA ARG 5 -4.227 -4.754 2.729 34 HB2 ARG 5 2HB ARG 5 -7.160 -4.905 2.059 35 HB3 ARG 5 1HB ARG 5 -6.382 -5.462 3.534 36 HG2 ARG 5 2HG ARG 5 -5.783 -3.184 4.113 37 HG3 ARG 5 1HG ARG 5 -6.494 -2.608 2.610 38 HD2 ARG 5 2HD ARG 5 -8.673 -3.500 3.365 39 HD3 ARG 5 1HD ARG 5 -7.922 -3.919 4.909 40 HE ARG 5 HE ARG 5 -7.416 -1.235 4.266 41 HH11 ARG 5 1HH1 ARG 5 -10.019 -3.320 5.402 42 HH12 ARG 5 2HH1 ARG 5 -10.860 -2.088 6.221 43 HH21 ARG 5 1HH2 ARG 5 -8.594 0.496 5.335 44 HH22 ARG 5 2HH2 ARG 5 -10.031 0.135 6.161 45 H DAR 6 H DAR 6 -3.283 -6.567 2.330 46 HA DAR 6 HA DAR 6 -4.710 -8.573 0.811 47 HB2 DAR 6 1HB DAR 6 -2.314 -8.752 2.628 48 HB3 DAR 6 2HB DAR 6 -2.984 -10.120 1.742 49 HG2 DAR 6 1HG DAR 6 -5.123 -9.796 2.872 50 HG3 DAR 6 2HG DAR 6 -4.482 -8.389 3.706 51 HD2 DAR 6 1HD DAR 6 -2.939 -9.737 4.952 52 HD3 DAR 6 2HD DAR 6 -3.414 -11.175 4.039 53 HE DAR 6 HE DAR 6 -5.734 -10.532 4.978 54 HH11 DAR 6 1HH2 DAR 6 -6.717 -10.966 7.046 55 HH12 DAR 6 2HH2 DAR 6 -5.773 -10.981 8.450 56 HH21 DAR 6 1HH1 DAR 6 -2.700 -10.240 6.827 57 HH22 DAR 6 2HH1 DAR 6 -3.474 -10.581 8.303 58 H VAL 7 H VAL 7 -2.523 -6.294 0.155 59 HA VAL 7 HA VAL 7 -2.007 -7.394 -2.434 60 HB VAL 7 HB VAL 7 -0.773 -5.328 -2.926 61 HG11 VAL 7 1HG1 VAL 7 -3.197 -5.345 -3.146 62 HG12 VAL 7 2HG1 VAL 7 -2.610 -3.755 -2.679 63 HG13 VAL 7 3HG1 VAL 7 -3.361 -4.808 -1.475 64 HG21 VAL 7 1HG2 VAL 7 0.299 -4.988 -0.754 65 HG22 VAL 7 2HG2 VAL 7 -1.264 -4.612 -0.030 66 HG23 VAL 7 3HG2 VAL 7 -0.577 -3.543 -1.252 67 H SER 8 H SER 8 0.170 -7.448 -3.393 68 HA SER 8 HA SER 8 1.826 -9.100 -1.735 69 HB2 SER 8 2HB SER 8 3.213 -9.287 -3.845 70 HB3 SER 8 1HB SER 8 1.529 -9.762 -4.035 71 HG SER 8 HG SER 8 1.109 -7.706 -4.927 72 HA PRO 9 HA PRO 9 4.853 -6.288 -0.117 73 HB2 PRO 9 2HB PRO 9 6.892 -7.922 -1.558 74 HB3 PRO 9 1HB PRO 9 6.876 -7.381 0.124 75 HG2 PRO 9 2HG PRO 9 6.238 -9.886 -0.453 76 HG3 PRO 9 1HG PRO 9 5.322 -8.984 0.767 77 HD2 PRO 9 2HD PRO 9 4.561 -9.691 -2.030 78 HD3 PRO 9 1HD PRO 9 3.551 -9.576 -0.575 79 H GLU 10 H GLU 10 5.345 -7.160 -3.556 80 HA GLU 10 HA GLU 10 6.907 -4.875 -4.117 81 HB2 GLU 10 2HB GLU 10 6.903 -6.824 -5.621 82 HB3 GLU 10 1HB GLU 10 5.227 -6.493 -6.039 83 HG2 GLU 10 2HG GLU 10 5.834 -4.421 -7.086 84 HG3 GLU 10 1HG GLU 10 7.498 -4.589 -6.530 85 H GLU 11 H GLU 11 3.447 -5.531 -4.657 86 HA GLU 11 HA GLU 11 2.688 -3.024 -5.651 87 HB2 GLU 11 2HB GLU 11 1.149 -4.876 -3.841 88 HB3 GLU 11 1HB GLU 11 0.454 -3.526 -4.718 89 HG2 GLU 11 2HG GLU 11 0.922 -4.606 -6.811 90 HG3 GLU 11 1HG GLU 11 1.758 -5.918 -5.972 91 H CYS 12 H CYS 12 2.875 -4.273 -2.402 92 HA CYS 12 HA CYS 12 1.888 -2.131 -0.963 93 HB2 CYS 12 2HB CYS 12 2.372 -4.408 -0.071 94 HB3 CYS 12 1HB CYS 12 4.090 -4.034 -0.140 95 H ARG 13 H ARG 13 5.287 -2.913 -1.679 96 HA ARG 13 HA ARG 13 6.490 -0.679 -0.512 97 HB2 ARG 13 2HB ARG 13 7.447 -2.891 -1.476 98 HB3 ARG 13 1HB ARG 13 7.490 -2.023 -2.998 99 HG2 ARG 13 2HG ARG 13 9.640 -1.890 -2.027 100 HG3 ARG 13 1HG ARG 13 8.894 -0.299 -1.889 101 HD2 ARG 13 2HD ARG 13 10.060 -1.004 0.172 102 HD3 ARG 13 1HD ARG 13 8.344 -0.709 0.433 103 HE ARG 13 HE ARG 13 8.088 -3.193 0.226 104 HH11 ARG 13 1HH1 ARG 13 11.135 -1.816 1.422 105 HH12 ARG 13 2HH1 ARG 13 11.539 -3.222 2.301 106 HH21 ARG 13 1HH2 ARG 13 8.654 -5.043 1.416 107 HH22 ARG 13 2HH2 ARG 13 10.101 -5.101 2.299 108 H LYS 14 H LYS 14 5.561 -1.353 -3.833 109 HA LYS 14 HA LYS 14 6.285 0.876 -5.241 110 HB2 LYS 14 2HB LYS 14 5.416 -1.161 -6.225 111 HB3 LYS 14 1HB LYS 14 3.859 -0.893 -5.481 112 HG2 LYS 14 2HG LYS 14 3.567 1.104 -6.911 113 HG3 LYS 14 1HG LYS 14 5.096 0.714 -7.710 114 HD2 LYS 14 2HD LYS 14 4.189 -1.508 -8.312 115 HD3 LYS 14 1HD LYS 14 2.659 -1.068 -7.561 116 HE2 LYS 14 2HE LYS 14 2.491 -0.809 -9.939 117 HE3 LYS 14 1HE LYS 14 2.435 0.776 -9.180 118 HZ1 LYS 14 1HZ LYS 14 4.733 1.126 -9.810 119 HZ2 LYS 14 2HZ LYS 14 3.882 0.651 -11.196 120 HZ3 LYS 14 3HZ LYS 14 4.850 -0.439 -10.383 121 H TYR 15 H TYR 15 3.095 0.256 -3.775 122 HA TYR 15 HA TYR 15 2.143 2.837 -4.434 123 HB2 TYR 15 2HB TYR 15 0.975 0.798 -2.554 124 HB3 TYR 15 1HB TYR 15 0.160 2.257 -3.088 125 HD1 TYR 15 1HD TYR 15 0.831 2.253 -6.004 126 HD2 TYR 15 2HD TYR 15 -0.294 -0.916 -3.408 127 HE1 TYR 15 1HE TYR 15 -0.104 1.038 -7.910 128 HE2 TYR 15 2HE TYR 15 -1.225 -2.153 -5.309 129 HH TYR 15 HH TYR 15 -2.121 -1.653 -7.557 130 H LYS 16 H LYS 16 3.606 1.496 -1.549 131 HA LYS 16 HA LYS 16 2.887 3.612 0.147 132 HB2 LYS 16 2HB LYS 16 5.218 1.712 0.325 133 HB3 LYS 16 1HB LYS 16 4.851 2.919 1.552 134 HG2 LYS 16 2HG LYS 16 2.650 1.890 1.898 135 HG3 LYS 16 1HG LYS 16 3.037 0.673 0.686 136 HD2 LYS 16 2HD LYS 16 3.382 -0.212 2.928 137 HD3 LYS 16 1HD LYS 16 4.924 -0.082 2.081 138 HE2 LYS 16 2HE LYS 16 5.440 1.960 3.257 139 HE3 LYS 16 1HE LYS 16 3.857 1.961 4.029 140 HZ1 LYS 16 1HZ LYS 16 5.983 -0.066 4.405 141 HZ2 LYS 16 2HZ LYS 16 4.491 -0.070 5.184 142 HZ3 LYS 16 3HZ LYS 16 5.593 1.168 5.469 143 H GLU 17 H GLU 17 5.727 3.198 -1.906 144 HA GLU 17 HA GLU 17 6.553 5.838 -1.113 145 HB2 GLU 17 2HB GLU 17 8.389 5.560 -2.787 146 HB3 GLU 17 1HB GLU 17 8.355 4.345 -1.523 147 HG2 GLU 17 2HG GLU 17 7.390 2.746 -3.031 148 HG3 GLU 17 1HG GLU 17 7.257 3.971 -4.290 149 H GLU 18 H GLU 18 4.565 4.518 -3.500 150 HA GLU 18 HA GLU 18 4.765 6.558 -5.439 151 HB2 GLU 18 2HB GLU 18 3.788 4.240 -5.736 152 HB3 GLU 18 1HB GLU 18 2.363 4.840 -4.903 153 HG2 GLU 18 2HG GLU 18 1.989 4.895 -7.261 154 HG3 GLU 18 1HG GLU 18 2.096 6.547 -6.651 155 H TYR 19 H TYR 19 2.421 6.016 -2.783 156 HA TYR 19 HA TYR 19 1.263 8.625 -3.469 157 HB2 TYR 19 2HB TYR 19 -0.015 6.381 -1.926 158 HB3 TYR 19 1HB TYR 19 -0.783 7.907 -2.348 159 HD1 TYR 19 1HD TYR 19 0.035 4.587 -3.434 160 HD2 TYR 19 2HD TYR 19 -1.156 8.430 -4.798 161 HE1 TYR 19 1HE TYR 19 -0.673 3.603 -5.558 162 HE2 TYR 19 2HE TYR 19 -1.866 7.461 -6.932 163 HH TYR 19 HH TYR 19 -2.128 4.075 -7.424 164 H DSG 20 H DAS 20 3.134 7.207 -0.872 165 HA DSG 20 HA DAS 20 2.682 9.653 0.555 166 HB2 DSG 20 1HB DAS 20 4.967 9.015 0.036 167 HB3 DSG 20 2HB DAS 20 4.737 7.468 0.843 168 HD21 DSG 20 1HD2 DAS 20 6.298 7.759 2.319 169 HD22 DSG 20 2HD2 DAS 20 6.157 8.904 3.591 170 H CYS 21 H CYS 21 0.808 9.396 1.622 171 HA CYS 21 HA CYS 21 0.832 7.703 3.961 172 HB2 CYS 21 2HB CYS 21 0.066 10.040 4.167 173 HB3 CYS 21 1HB CYS 21 -1.202 9.733 2.992 174 H VAL 22 H VAL 22 0.484 5.622 3.318 175 HA VAL 22 HA VAL 22 -2.217 5.054 2.456 176 HB VAL 22 HB VAL 22 -1.496 3.232 0.944 177 HG11 VAL 22 1HG1 VAL 22 -0.757 4.570 -0.957 178 HG12 VAL 22 2HG1 VAL 22 -0.356 5.887 0.145 179 HG13 VAL 22 3HG1 VAL 22 -2.031 5.381 -0.040 180 HG21 VAL 22 1HG2 VAL 22 0.796 3.116 0.134 181 HG22 VAL 22 2HG2 VAL 22 0.678 2.752 1.860 182 HG23 VAL 22 3HG2 VAL 22 1.277 4.330 1.327 183 H ARG 23 H ARG 23 -2.861 2.905 3.010 184 HA ARG 23 HA ARG 23 -1.299 1.896 5.299 185 HB2 ARG 23 2HB ARG 23 -4.299 1.764 4.956 186 HB3 ARG 23 1HB ARG 23 -3.388 1.206 6.351 187 HG2 ARG 23 2HG ARG 23 -3.636 4.050 5.408 188 HG3 ARG 23 1HG ARG 23 -4.434 3.333 6.806 189 HD2 ARG 23 2HD ARG 23 -2.318 3.014 7.918 190 HD3 ARG 23 1HD ARG 23 -1.438 3.514 6.470 191 HE ARG 23 HE ARG 23 -3.295 5.425 7.509 192 HH11 ARG 23 1HH1 ARG 23 0.057 4.325 7.602 193 HH12 ARG 23 2HH1 ARG 23 0.695 5.852 8.041 194 HH21 ARG 23 1HH2 ARG 23 -2.434 7.501 8.089 195 HH22 ARG 23 2HH2 ARG 23 -0.767 7.696 8.328 196 H CYS 24 H CYS 24 -0.212 0.297 4.486 197 HA CYS 24 HA CYS 24 -1.474 -1.628 2.737 198 HB2 CYS 24 2HB CYS 24 0.759 -0.755 2.173 199 HB3 CYS 24 1HB CYS 24 1.375 -1.361 3.706 200 H THR 25 H THR 25 -2.506 -3.201 3.676 201 HA THR 25 HA THR 25 -1.737 -4.062 6.364 202 HB THR 25 HB THR 25 -4.315 -4.604 4.894 203 HG1 THR 25 1HG THR 25 -3.310 -2.333 6.039 204 HG21 THR 25 1HG2 THR 25 -3.589 -4.560 7.830 205 HG22 THR 25 2HG2 THR 25 -3.835 -6.011 6.859 206 HG23 THR 25 3HG2 THR 25 -5.182 -4.912 7.163 207 H GLU 26 H GLU 26 -0.638 -5.944 6.437 208 HA GLU 26 HA GLU 26 -1.505 -8.152 4.850 209 HB2 GLU 26 2HB GLU 26 0.272 -7.245 3.415 210 HB3 GLU 26 1HB GLU 26 1.379 -7.199 4.782 211 HG2 GLU 26 2HG GLU 26 1.380 -9.594 4.934 212 HG3 GLU 26 1HG GLU 26 0.143 -9.714 3.693 Start of MODEL 15 1 H1 CYS 1 1HT CYS 1 -4.446 9.373 3.640 2 H2 CYS 1 2HT CYS 1 -5.711 8.249 3.849 3 H3 CYS 1 3HT CYS 1 -5.305 8.771 2.314 4 HA CYS 1 HA CYS 1 -3.212 7.700 2.416 5 HB2 CYS 1 2HB CYS 1 -4.099 6.825 5.189 6 HB3 CYS 1 1HB CYS 1 -2.664 6.258 4.349 7 H GLN 2 H GLN 2 -3.332 5.937 1.168 8 HA GLN 2 HA GLN 2 -5.891 4.688 0.938 9 HB2 GLN 2 2HB GLN 2 -3.304 4.031 -0.484 10 HB3 GLN 2 1HB GLN 2 -4.862 3.319 -0.845 11 HG2 GLN 2 2HG GLN 2 -4.148 6.228 -1.123 12 HG3 GLN 2 1HG GLN 2 -4.333 5.064 -2.434 13 HE21 GLN 2 1HE2 GLN 2 -5.740 7.550 -1.909 14 HE22 GLN 2 2HE2 GLN 2 -7.418 7.156 -1.817 15 H THR 3 H THR 3 -6.562 2.868 1.788 16 HA THR 3 HA THR 3 -4.686 1.280 3.358 17 HB THR 3 HB THR 3 -7.724 1.205 3.279 18 HG1 THR 3 1HG THR 3 -7.682 2.738 4.706 19 HG21 THR 3 1HG2 THR 3 -7.507 -0.051 5.393 20 HG22 THR 3 2HG2 THR 3 -5.750 -0.006 5.237 21 HG23 THR 3 3HG2 THR 3 -6.716 -0.899 4.064 22 H TRP 4 H TRP 4 -4.016 -0.610 2.546 23 HA TRP 4 HA TRP 4 -5.487 -1.736 0.245 24 HB2 TRP 4 2HB TRP 4 -2.529 -1.977 0.838 25 HB3 TRP 4 1HB TRP 4 -3.367 -2.654 -0.550 26 HD1 TRP 4 HD TRP 4 -1.845 0.529 0.760 27 HE1 TRP 4 1HE TRP 4 -1.857 2.309 -1.097 28 HE3 TRP 4 3HE TRP 4 -4.764 -1.880 -2.664 29 HZ2 TRP 4 2HZ TRP 4 -2.935 2.656 -3.639 30 HZ3 TRP 4 3HZ TRP 4 -5.245 -0.751 -4.803 31 HH2 TRP 4 HH TRP 4 -4.348 1.476 -5.281 32 H ARG 5 H ARG 5 -5.705 -3.984 0.145 33 HA ARG 5 HA ARG 5 -4.955 -5.448 2.562 34 HB2 ARG 5 2HB ARG 5 -7.626 -5.533 1.171 35 HB3 ARG 5 1HB ARG 5 -7.090 -6.707 2.359 36 HG2 ARG 5 2HG ARG 5 -6.997 -4.982 4.053 37 HG3 ARG 5 1HG ARG 5 -7.472 -3.767 2.863 38 HD2 ARG 5 2HD ARG 5 -9.091 -6.181 3.656 39 HD3 ARG 5 1HD ARG 5 -9.391 -4.531 4.207 40 HE ARG 5 HE ARG 5 -9.505 -4.136 1.644 41 HH11 ARG 5 1HH1 ARG 5 -10.873 -6.881 3.417 42 HH12 ARG 5 2HH1 ARG 5 -12.135 -7.153 2.321 43 HH21 ARG 5 1HH2 ARG 5 -11.215 -4.533 0.107 44 HH22 ARG 5 2HH2 ARG 5 -12.346 -5.780 0.388 45 H DAR 6 H DAR 6 -3.938 -7.186 2.159 46 HA DAR 6 HA DAR 6 -4.535 -9.124 0.231 47 HB2 DAR 6 1HB DAR 6 -3.411 -9.752 2.237 48 HB3 DAR 6 2HB DAR 6 -2.095 -8.640 1.933 49 HG2 DAR 6 1HG DAR 6 -1.364 -10.912 1.563 50 HG3 DAR 6 2HG DAR 6 -1.346 -10.012 0.052 51 HD2 DAR 6 1HD DAR 6 -3.442 -11.023 -0.619 52 HD3 DAR 6 2HD DAR 6 -3.518 -11.918 0.901 53 HE DAR 6 HE DAR 6 -1.242 -12.813 0.063 54 HH11 DAR 6 1HH2 DAR 6 -0.663 -14.426 -1.552 55 HH12 DAR 6 2HH2 DAR 6 -1.666 -14.611 -2.906 56 HH21 DAR 6 1HH1 DAR 6 -4.078 -12.199 -1.961 57 HH22 DAR 6 2HH1 DAR 6 -3.633 -13.330 -3.157 58 H VAL 7 H VAL 7 -2.035 -6.626 0.226 59 HA VAL 7 HA VAL 7 -1.571 -7.282 -2.587 60 HB VAL 7 HB VAL 7 -0.606 -5.019 -2.869 61 HG11 VAL 7 1HG1 VAL 7 -2.666 -3.697 -2.673 62 HG12 VAL 7 2HG1 VAL 7 -3.372 -4.974 -1.681 63 HG13 VAL 7 3HG1 VAL 7 -2.951 -5.295 -3.363 64 HG21 VAL 7 1HG2 VAL 7 -1.479 -4.513 -0.024 65 HG22 VAL 7 2HG2 VAL 7 -0.787 -3.319 -1.125 66 HG23 VAL 7 3HG2 VAL 7 0.187 -4.682 -0.570 67 H SER 8 H SER 8 0.608 -7.359 -3.315 68 HA SER 8 HA SER 8 2.311 -8.679 -1.506 69 HB2 SER 8 2HB SER 8 2.938 -7.513 -4.226 70 HB3 SER 8 1HB SER 8 3.853 -8.768 -3.389 71 HG SER 8 HG SER 8 2.595 -9.819 -4.751 72 HA PRO 9 HA PRO 9 4.266 -5.342 0.725 73 HB2 PRO 9 2HB PRO 9 6.649 -7.087 0.254 74 HB3 PRO 9 1HB PRO 9 6.144 -6.260 1.734 75 HG2 PRO 9 2HG PRO 9 5.634 -8.817 1.472 76 HG3 PRO 9 1HG PRO 9 4.378 -7.742 2.112 77 HD2 PRO 9 2HD PRO 9 4.595 -9.002 -0.586 78 HD3 PRO 9 1HD PRO 9 3.157 -8.643 0.393 79 H GLU 10 H GLU 10 6.032 -6.560 -2.160 80 HA GLU 10 HA GLU 10 7.525 -4.146 -2.362 81 HB2 GLU 10 2HB GLU 10 7.169 -6.359 -4.395 82 HB3 GLU 10 1HB GLU 10 8.300 -5.022 -4.568 83 HG2 GLU 10 2HG GLU 10 9.385 -5.743 -2.448 84 HG3 GLU 10 1HG GLU 10 8.346 -7.160 -2.440 85 H GLU 11 H GLU 11 4.552 -5.269 -3.820 86 HA GLU 11 HA GLU 11 4.189 -3.090 -5.618 87 HB2 GLU 11 2HB GLU 11 2.071 -4.722 -4.186 88 HB3 GLU 11 1HB GLU 11 1.805 -3.709 -5.593 89 HG2 GLU 11 2HG GLU 11 3.514 -6.162 -5.491 90 HG3 GLU 11 1HG GLU 11 1.880 -6.086 -6.156 91 H CYS 12 H CYS 12 3.315 -3.760 -2.305 92 HA CYS 12 HA CYS 12 1.948 -1.392 -1.717 93 HB2 CYS 12 2HB CYS 12 1.868 -3.352 -0.244 94 HB3 CYS 12 1HB CYS 12 3.578 -3.171 0.114 95 H ARG 13 H ARG 13 5.380 -2.164 -1.723 96 HA ARG 13 HA ARG 13 6.268 0.255 -0.544 97 HB2 ARG 13 2HB ARG 13 7.651 -1.829 -0.742 98 HB3 ARG 13 1HB ARG 13 7.743 -1.563 -2.471 99 HG2 ARG 13 2HG ARG 13 8.968 0.529 -2.084 100 HG3 ARG 13 1HG ARG 13 8.850 0.261 -0.349 101 HD2 ARG 13 2HD ARG 13 11.039 -0.443 -1.237 102 HD3 ARG 13 1HD ARG 13 10.141 -1.781 -0.521 103 HE ARG 13 HE ARG 13 9.799 -1.449 -3.358 104 HH11 ARG 13 1HH1 ARG 13 11.818 -2.990 -0.879 105 HH12 ARG 13 2HH1 ARG 13 12.272 -4.305 -1.875 106 HH21 ARG 13 1HH2 ARG 13 10.451 -3.266 -4.694 107 HH22 ARG 13 2HH2 ARG 13 11.458 -4.484 -4.075 108 H LYS 14 H LYS 14 5.646 -0.782 -3.860 109 HA LYS 14 HA LYS 14 6.393 1.609 -5.156 110 HB2 LYS 14 2HB LYS 14 4.314 -0.443 -5.923 111 HB3 LYS 14 1HB LYS 14 4.776 0.898 -6.954 112 HG2 LYS 14 2HG LYS 14 6.637 -1.254 -5.975 113 HG3 LYS 14 1HG LYS 14 5.851 -1.243 -7.551 114 HD2 LYS 14 2HD LYS 14 7.742 0.910 -6.561 115 HD3 LYS 14 1HD LYS 14 8.206 -0.429 -7.602 116 HE2 LYS 14 2HE LYS 14 6.591 0.369 -9.300 117 HE3 LYS 14 1HE LYS 14 6.198 1.731 -8.253 118 HZ1 LYS 14 1HZ LYS 14 8.895 1.182 -9.372 119 HZ2 LYS 14 2HZ LYS 14 8.453 2.523 -8.443 120 HZ3 LYS 14 3HZ LYS 14 7.814 2.321 -9.974 121 H TYR 15 H TYR 15 3.363 0.639 -3.632 122 HA TYR 15 HA TYR 15 1.940 2.965 -4.403 123 HB2 TYR 15 2HB TYR 15 1.454 1.175 -2.009 124 HB3 TYR 15 1HB TYR 15 0.305 2.351 -2.637 125 HD1 TYR 15 1HD TYR 15 0.868 1.635 -5.638 126 HD2 TYR 15 2HD TYR 15 0.020 -0.713 -2.186 127 HE1 TYR 15 1HE TYR 15 -0.056 -0.103 -7.059 128 HE2 TYR 15 2HE TYR 15 -0.907 -2.475 -3.613 129 HH TYR 15 HH TYR 15 -0.385 -2.543 -6.917 130 H LYS 16 H LYS 16 3.902 2.186 -1.620 131 HA LYS 16 HA LYS 16 3.508 4.613 -0.191 132 HB2 LYS 16 2HB LYS 16 5.794 2.633 -0.134 133 HB3 LYS 16 1HB LYS 16 5.623 3.970 0.996 134 HG2 LYS 16 2HG LYS 16 3.569 3.060 1.837 135 HG3 LYS 16 1HG LYS 16 3.596 1.785 0.621 136 HD2 LYS 16 2HD LYS 16 5.580 0.843 1.617 137 HD3 LYS 16 1HD LYS 16 5.665 2.163 2.785 138 HE2 LYS 16 2HE LYS 16 3.437 1.497 3.626 139 HE3 LYS 16 1HE LYS 16 3.448 0.141 2.509 140 HZ1 LYS 16 1HZ LYS 16 4.085 -0.480 4.739 141 HZ2 LYS 16 2HZ LYS 16 5.399 0.559 4.709 142 HZ3 LYS 16 3HZ LYS 16 5.351 -0.781 3.670 143 H GLU 17 H GLU 17 5.521 3.684 -2.790 144 HA GLU 17 HA GLU 17 7.249 5.959 -2.758 145 HB2 GLU 17 2HB GLU 17 7.657 3.661 -3.805 146 HB3 GLU 17 1HB GLU 17 6.574 4.168 -5.085 147 HG2 GLU 17 2HG GLU 17 8.856 4.460 -5.759 148 HG3 GLU 17 1HG GLU 17 8.076 6.036 -5.590 149 H GLU 18 H GLU 18 4.592 4.894 -4.834 150 HA GLU 18 HA GLU 18 4.534 7.213 -6.462 151 HB2 GLU 18 2HB GLU 18 3.873 4.853 -7.076 152 HB3 GLU 18 1HB GLU 18 2.382 5.135 -6.193 153 HG2 GLU 18 2HG GLU 18 1.893 5.519 -8.460 154 HG3 GLU 18 1HG GLU 18 2.001 7.110 -7.705 155 H TYR 19 H TYR 19 2.290 5.999 -3.952 156 HA TYR 19 HA TYR 19 0.635 8.347 -4.371 157 HB2 TYR 19 2HB TYR 19 0.164 5.929 -2.632 158 HB3 TYR 19 1HB TYR 19 -0.978 7.248 -2.858 159 HD1 TYR 19 1HD TYR 19 -1.547 7.769 -5.386 160 HD2 TYR 19 2HD TYR 19 -0.064 4.053 -3.957 161 HE1 TYR 19 1HE TYR 19 -2.456 6.661 -7.358 162 HE2 TYR 19 2HE TYR 19 -0.972 2.923 -5.941 163 HH TYR 19 HH TYR 19 -1.974 4.541 -8.673 164 H DSG 20 H DAS 20 2.395 6.818 -1.710 165 HA DSG 20 HA DAS 20 1.964 9.286 -0.254 166 HB2 DSG 20 1HB DAS 20 4.655 8.021 -0.734 167 HB3 DSG 20 2HB DAS 20 4.369 9.128 0.605 168 HD21 DSG 20 1HD2 DAS 20 4.717 8.854 -2.882 169 HD22 DSG 20 2HD2 DAS 20 4.727 10.551 -3.176 170 H CYS 21 H CYS 21 1.101 8.973 1.523 171 HA CYS 21 HA CYS 21 1.844 6.941 3.383 172 HB2 CYS 21 2HB CYS 21 1.183 9.080 4.254 173 HB3 CYS 21 1HB CYS 21 -0.322 9.051 3.351 174 H VAL 22 H VAL 22 1.334 4.927 2.634 175 HA VAL 22 HA VAL 22 -1.524 4.434 2.465 176 HB VAL 22 HB VAL 22 -1.288 2.744 0.752 177 HG11 VAL 22 1HG1 VAL 22 -1.577 4.997 -0.076 178 HG12 VAL 22 2HG1 VAL 22 -0.633 4.018 -1.199 179 HG13 VAL 22 3HG1 VAL 22 0.172 5.197 -0.165 180 HG21 VAL 22 1HG2 VAL 22 0.801 2.252 -0.384 181 HG22 VAL 22 2HG2 VAL 22 0.901 1.849 1.334 182 HG23 VAL 22 3HG2 VAL 22 1.668 3.318 0.718 183 H ARG 23 H ARG 23 -2.189 2.485 3.351 184 HA ARG 23 HA ARG 23 -0.169 1.171 5.018 185 HB2 ARG 23 2HB ARG 23 -2.970 1.965 5.859 186 HB3 ARG 23 1HB ARG 23 -1.863 1.003 6.830 187 HG2 ARG 23 2HG ARG 23 -0.299 2.842 6.944 188 HG3 ARG 23 1HG ARG 23 -1.322 3.810 5.891 189 HD2 ARG 23 2HD ARG 23 -3.081 3.788 7.617 190 HD3 ARG 23 1HD ARG 23 -2.020 2.839 8.667 191 HE ARG 23 HE ARG 23 -0.577 5.020 7.886 192 HH11 ARG 23 1HH1 ARG 23 -3.564 4.572 9.717 193 HH12 ARG 23 2HH1 ARG 23 -3.324 5.923 10.726 194 HH21 ARG 23 1HH2 ARG 23 -0.269 6.916 9.233 195 HH22 ARG 23 2HH2 ARG 23 -1.406 7.309 10.419 196 H CYS 24 H CYS 24 0.039 -0.759 4.260 197 HA CYS 24 HA CYS 24 -2.220 -2.137 3.070 198 HB2 CYS 24 2HB CYS 24 0.691 -2.947 3.240 199 HB3 CYS 24 1HB CYS 24 -0.543 -3.670 2.215 200 H THR 25 H THR 25 -3.232 -3.770 4.074 201 HA THR 25 HA THR 25 -1.958 -4.985 6.387 202 HB THR 25 HB THR 25 -3.590 -3.272 7.176 203 HG1 THR 25 1HG THR 25 -5.058 -5.014 8.239 204 HG21 THR 25 1HG2 THR 25 -5.656 -4.957 5.753 205 HG22 THR 25 2HG2 THR 25 -5.151 -3.336 5.280 206 HG23 THR 25 3HG2 THR 25 -5.999 -3.582 6.807 207 H GLU 26 H GLU 26 -2.985 -7.145 6.863 208 HA GLU 26 HA GLU 26 -3.713 -8.394 4.321 209 HB2 GLU 26 2HB GLU 26 -2.518 -9.599 6.823 210 HB3 GLU 26 1HB GLU 26 -3.009 -10.531 5.419 211 HG2 GLU 26 2HG GLU 26 -1.341 -9.305 4.075 212 HG3 GLU 26 1HG GLU 26 -0.828 -8.458 5.534 Start of MODEL 16 1 H1 CYS 1 1HT CYS 1 -6.786 8.258 3.464 2 H2 CYS 1 2HT CYS 1 -6.946 8.764 1.866 3 H3 CYS 1 3HT CYS 1 -5.939 9.625 2.938 4 HA CYS 1 HA CYS 1 -4.643 8.233 1.472 5 HB2 CYS 1 2HB CYS 1 -4.734 7.197 4.334 6 HB3 CYS 1 1HB CYS 1 -3.368 7.119 3.235 7 H GLN 2 H GLN 2 -4.499 6.282 0.357 8 HA GLN 2 HA GLN 2 -6.787 4.602 0.374 9 HB2 GLN 2 2HB GLN 2 -4.099 4.265 -0.987 10 HB3 GLN 2 1HB GLN 2 -5.436 3.157 -1.195 11 HG2 GLN 2 2HG GLN 2 -5.326 4.630 -3.076 12 HG3 GLN 2 1HG GLN 2 -6.773 4.994 -2.151 13 HE21 GLN 2 1HE2 GLN 2 -6.948 7.008 -2.942 14 HE22 GLN 2 2HE2 GLN 2 -5.914 8.320 -2.548 15 H THR 3 H THR 3 -6.925 2.413 0.929 16 HA THR 3 HA THR 3 -4.885 1.518 2.818 17 HB THR 3 HB THR 3 -7.870 0.941 2.876 18 HG1 THR 3 1HG THR 3 -7.281 3.057 3.517 19 HG21 THR 3 1HG2 THR 3 -5.685 0.194 4.844 20 HG22 THR 3 2HG2 THR 3 -6.518 -0.925 3.766 21 HG23 THR 3 3HG2 THR 3 -7.409 -0.113 5.053 22 H TRP 4 H TRP 4 -3.852 -0.203 2.171 23 HA TRP 4 HA TRP 4 -4.922 -1.716 -0.092 24 HB2 TRP 4 2HB TRP 4 -2.050 -1.494 0.815 25 HB3 TRP 4 1HB TRP 4 -2.633 -2.288 -0.636 26 HD1 TRP 4 HD TRP 4 -1.223 0.890 0.504 27 HE1 TRP 4 1HE TRP 4 -1.486 2.706 -1.294 28 HE3 TRP 4 3HE TRP 4 -4.593 -1.433 -2.509 29 HZ2 TRP 4 2HZ TRP 4 -2.929 3.124 -3.649 30 HZ3 TRP 4 3HZ TRP 4 -5.386 -0.243 -4.537 31 HH2 TRP 4 HH TRP 4 -4.566 1.984 -5.085 32 H ARG 5 H ARG 5 -5.813 -3.489 0.520 33 HA ARG 5 HA ARG 5 -4.502 -5.195 2.515 34 HB2 ARG 5 2HB ARG 5 -7.459 -4.760 2.025 35 HB3 ARG 5 1HB ARG 5 -6.789 -5.981 3.084 36 HG2 ARG 5 2HG ARG 5 -6.019 -4.407 4.621 37 HG3 ARG 5 1HG ARG 5 -6.207 -3.078 3.473 38 HD2 ARG 5 2HD ARG 5 -8.475 -4.721 4.569 39 HD3 ARG 5 1HD ARG 5 -7.969 -3.158 5.215 40 HE ARG 5 HE ARG 5 -8.524 -3.150 2.398 41 HH11 ARG 5 1HH1 ARG 5 -9.989 -2.842 5.598 42 HH12 ARG 5 2HH1 ARG 5 -11.247 -1.812 5.096 43 HH21 ARG 5 1HH2 ARG 5 -10.245 -1.708 1.681 44 HH22 ARG 5 2HH2 ARG 5 -11.400 -1.159 2.796 45 H DAR 6 H DAR 6 -3.944 -7.083 1.625 46 HA DAR 6 HA DAR 6 -5.586 -8.374 -0.342 47 HB2 DAR 6 1HB DAR 6 -4.362 -9.754 1.275 48 HB3 DAR 6 2HB DAR 6 -2.833 -9.080 0.717 49 HG2 DAR 6 1HG DAR 6 -3.378 -10.014 -1.553 50 HG3 DAR 6 2HG DAR 6 -4.731 -10.852 -0.803 51 HD2 DAR 6 1HD DAR 6 -3.221 -12.065 0.652 52 HD3 DAR 6 2HD DAR 6 -1.845 -11.193 -0.031 53 HE DAR 6 HE DAR 6 -3.560 -12.684 -1.839 54 HH11 DAR 6 1HH2 DAR 6 -2.534 -14.281 -3.169 55 HH12 DAR 6 2HH2 DAR 6 -0.926 -14.747 -2.881 56 HH21 DAR 6 1HH1 DAR 6 -0.460 -12.601 -0.118 57 HH22 DAR 6 2HH1 DAR 6 0.272 -13.783 -1.103 58 H VAL 7 H VAL 7 -2.377 -6.939 -0.217 59 HA VAL 7 HA VAL 7 -2.349 -6.965 -3.130 60 HB VAL 7 HB VAL 7 -0.987 -4.903 -3.101 61 HG11 VAL 7 1HG1 VAL 7 -2.732 -3.300 -2.493 62 HG12 VAL 7 2HG1 VAL 7 -3.580 -4.564 -1.603 63 HG13 VAL 7 3HG1 VAL 7 -3.406 -4.686 -3.351 64 HG21 VAL 7 1HG2 VAL 7 -0.725 -3.577 -1.061 65 HG22 VAL 7 2HG2 VAL 7 0.026 -5.164 -0.882 66 HG23 VAL 7 3HG2 VAL 7 -1.537 -4.836 -0.134 67 H SER 8 H SER 8 -0.156 -7.088 -4.006 68 HA SER 8 HA SER 8 1.324 -9.139 -2.780 69 HB2 SER 8 2HB SER 8 2.170 -7.270 -4.979 70 HB3 SER 8 1HB SER 8 2.699 -8.932 -4.706 71 HG SER 8 HG SER 8 0.590 -9.625 -5.158 72 HA PRO 9 HA PRO 9 4.024 -6.852 0.003 73 HB2 PRO 9 2HB PRO 9 6.216 -8.460 -1.233 74 HB3 PRO 9 1HB PRO 9 5.828 -8.219 0.475 75 HG2 PRO 9 2HG PRO 9 5.204 -10.506 -0.684 76 HG3 PRO 9 1HG PRO 9 4.055 -9.731 0.421 77 HD2 PRO 9 2HD PRO 9 4.023 -9.835 -2.570 78 HD3 PRO 9 1HD PRO 9 2.675 -9.948 -1.417 79 H GLU 10 H GLU 10 5.456 -7.478 -3.186 80 HA GLU 10 HA GLU 10 7.173 -5.266 -3.293 81 HB2 GLU 10 2HB GLU 10 5.816 -6.723 -5.569 82 HB3 GLU 10 1HB GLU 10 7.170 -5.619 -5.747 83 HG2 GLU 10 2HG GLU 10 8.587 -7.103 -4.454 84 HG3 GLU 10 1HG GLU 10 7.225 -8.189 -4.185 85 H GLU 11 H GLU 11 3.857 -5.686 -4.454 86 HA GLU 11 HA GLU 11 3.467 -3.126 -5.513 87 HB2 GLU 11 2HB GLU 11 1.491 -5.058 -4.301 88 HB3 GLU 11 1HB GLU 11 1.037 -3.592 -5.149 89 HG2 GLU 11 2HG GLU 11 2.573 -5.878 -6.346 90 HG3 GLU 11 1HG GLU 11 0.842 -5.606 -6.539 91 H CYS 12 H CYS 12 2.957 -4.440 -2.285 92 HA CYS 12 HA CYS 12 1.690 -2.305 -1.065 93 HB2 CYS 12 2HB CYS 12 2.006 -4.542 -0.029 94 HB3 CYS 12 1HB CYS 12 3.711 -4.175 0.196 95 H ARG 13 H ARG 13 5.206 -2.989 -1.093 96 HA ARG 13 HA ARG 13 5.807 -0.506 0.138 97 HB2 ARG 13 2HB ARG 13 8.167 -0.983 -0.369 98 HB3 ARG 13 1HB ARG 13 7.359 -2.368 0.332 99 HG2 ARG 13 2HG ARG 13 7.129 -3.336 -1.922 100 HG3 ARG 13 1HG ARG 13 8.043 -1.971 -2.565 101 HD2 ARG 13 2HD ARG 13 9.938 -2.576 -1.144 102 HD3 ARG 13 1HD ARG 13 9.018 -3.938 -0.504 103 HE ARG 13 HE ARG 13 9.395 -3.809 -3.376 104 HH11 ARG 13 1HH1 ARG 13 10.354 -5.299 -0.319 105 HH12 ARG 13 2HH1 ARG 13 11.201 -6.590 -1.043 106 HH21 ARG 13 1HH2 ARG 13 10.538 -5.577 -4.370 107 HH22 ARG 13 2HH2 ARG 13 11.305 -6.749 -3.412 108 H LYS 14 H LYS 14 5.516 -1.487 -3.175 109 HA LYS 14 HA LYS 14 6.518 0.745 -4.505 110 HB2 LYS 14 2HB LYS 14 6.030 -1.258 -5.699 111 HB3 LYS 14 1HB LYS 14 4.390 -1.280 -5.111 112 HG2 LYS 14 2HG LYS 14 4.614 -0.769 -7.508 113 HG3 LYS 14 1HG LYS 14 3.754 0.469 -6.599 114 HD2 LYS 14 2HD LYS 14 5.626 1.924 -6.694 115 HD3 LYS 14 1HD LYS 14 6.675 0.637 -7.296 116 HE2 LYS 14 2HE LYS 14 5.879 2.279 -9.035 117 HE3 LYS 14 1HE LYS 14 5.568 0.584 -9.388 118 HZ1 LYS 14 1HZ LYS 14 3.278 0.877 -8.734 119 HZ2 LYS 14 2HZ LYS 14 3.684 2.021 -9.892 120 HZ3 LYS 14 3HZ LYS 14 3.526 2.483 -8.284 121 H TYR 15 H TYR 15 3.184 0.067 -3.436 122 HA TYR 15 HA TYR 15 2.137 2.554 -4.256 123 HB2 TYR 15 2HB TYR 15 1.117 0.793 -2.014 124 HB3 TYR 15 1HB TYR 15 0.211 2.058 -2.823 125 HD1 TYR 15 1HD TYR 15 -0.397 -0.964 -2.436 126 HD2 TYR 15 2HD TYR 15 1.179 1.280 -5.689 127 HE1 TYR 15 1HE TYR 15 -1.215 -2.661 -3.996 128 HE2 TYR 15 2HE TYR 15 0.361 -0.402 -7.250 129 HH TYR 15 HH TYR 15 -0.159 -2.863 -7.131 130 H LYS 16 H LYS 16 3.592 1.446 -1.284 131 HA LYS 16 HA LYS 16 3.039 3.737 0.214 132 HB2 LYS 16 2HB LYS 16 5.164 1.646 0.522 133 HB3 LYS 16 1HB LYS 16 5.000 2.986 1.646 134 HG2 LYS 16 2HG LYS 16 2.699 2.276 2.141 135 HG3 LYS 16 1HG LYS 16 2.877 0.936 1.017 136 HD2 LYS 16 2HD LYS 16 3.183 0.036 3.183 137 HD3 LYS 16 1HD LYS 16 4.776 0.130 2.457 138 HE2 LYS 16 2HE LYS 16 3.645 2.136 4.427 139 HE3 LYS 16 1HE LYS 16 4.704 0.807 4.870 140 HZ1 LYS 16 1HZ LYS 16 5.980 2.762 4.730 141 HZ2 LYS 16 2HZ LYS 16 5.322 3.224 3.284 142 HZ3 LYS 16 3HZ LYS 16 6.385 1.898 3.334 143 H GLU 17 H GLU 17 5.804 3.045 -1.898 144 HA GLU 17 HA GLU 17 7.058 5.533 -1.208 145 HB2 GLU 17 2HB GLU 17 7.553 3.723 -3.569 146 HB3 GLU 17 1HB GLU 17 8.536 5.109 -3.140 147 HG2 GLU 17 2HG GLU 17 9.051 3.984 -0.983 148 HG3 GLU 17 1HG GLU 17 8.182 2.569 -1.584 149 H GLU 18 H GLU 18 4.846 4.459 -3.614 150 HA GLU 18 HA GLU 18 5.166 6.710 -5.339 151 HB2 GLU 18 2HB GLU 18 4.645 4.591 -6.261 152 HB3 GLU 18 1HB GLU 18 3.232 4.428 -5.243 153 HG2 GLU 18 2HG GLU 18 2.067 6.088 -6.493 154 HG3 GLU 18 1HG GLU 18 3.526 6.488 -7.407 155 H TYR 19 H TYR 19 2.548 5.724 -3.120 156 HA TYR 19 HA TYR 19 1.174 8.177 -3.789 157 HB2 TYR 19 2HB TYR 19 0.309 5.866 -2.069 158 HB3 TYR 19 1HB TYR 19 -0.681 7.284 -2.398 159 HD1 TYR 19 1HD TYR 19 0.495 4.100 -3.643 160 HD2 TYR 19 2HD TYR 19 -1.468 7.703 -4.741 161 HE1 TYR 19 1HE TYR 19 -0.339 3.011 -5.682 162 HE2 TYR 19 2HE TYR 19 -2.309 6.636 -6.777 163 HH TYR 19 HH TYR 19 -1.610 4.726 -8.251 164 H DSG 20 H DAS 20 2.947 6.860 -1.089 165 HA DSG 20 HA DAS 20 2.674 9.477 0.193 166 HB2 DSG 20 1HB DAS 20 4.663 7.256 0.703 167 HB3 DSG 20 2HB DAS 20 4.572 8.724 1.659 168 HD21 DSG 20 1HD2 DAS 20 6.649 9.274 1.152 169 HD22 DSG 20 2HD2 DAS 20 7.112 9.869 -0.400 170 H CYS 21 H CYS 21 0.770 9.377 1.243 171 HA CYS 21 HA CYS 21 0.768 7.769 3.633 172 HB2 CYS 21 2HB CYS 21 0.067 10.127 3.779 173 HB3 CYS 21 1HB CYS 21 -1.242 9.798 2.647 174 H VAL 22 H VAL 22 0.387 5.723 3.053 175 HA VAL 22 HA VAL 22 -2.346 5.147 2.322 176 HB VAL 22 HB VAL 22 -1.612 3.216 0.852 177 HG11 VAL 22 1HG1 VAL 22 -0.888 5.953 -0.143 178 HG12 VAL 22 2HG1 VAL 22 -2.499 5.251 -0.125 179 HG13 VAL 22 3HG1 VAL 22 -1.244 4.555 -1.156 180 HG21 VAL 22 1HG2 VAL 22 1.040 4.654 0.890 181 HG22 VAL 22 2HG2 VAL 22 0.613 3.314 -0.176 182 HG23 VAL 22 3HG2 VAL 22 0.710 3.058 1.567 183 H ARG 23 H ARG 23 -3.110 3.324 3.257 184 HA ARG 23 HA ARG 23 -1.422 2.318 5.422 185 HB2 ARG 23 2HB ARG 23 -4.402 2.094 5.009 186 HB3 ARG 23 1HB ARG 23 -3.519 1.524 6.415 187 HG2 ARG 23 2HG ARG 23 -2.862 3.857 6.895 188 HG3 ARG 23 1HG ARG 23 -3.852 4.378 5.530 189 HD2 ARG 23 2HD ARG 23 -5.052 4.615 7.619 190 HD3 ARG 23 1HD ARG 23 -5.813 3.400 6.588 191 HE ARG 23 HE ARG 23 -3.968 2.168 8.307 192 HH11 ARG 23 1HH1 ARG 23 -7.169 3.636 8.341 193 HH12 ARG 23 2HH1 ARG 23 -7.694 2.830 9.745 194 HH21 ARG 23 1HH2 ARG 23 -4.664 1.058 10.244 195 HH22 ARG 23 2HH2 ARG 23 -6.222 1.347 10.861 196 H CYS 24 H CYS 24 -0.284 0.681 4.560 197 HA CYS 24 HA CYS 24 -1.808 -1.332 3.096 198 HB2 CYS 24 2HB CYS 24 -0.025 -0.197 1.777 199 HB3 CYS 24 1HB CYS 24 1.150 -0.763 2.957 200 H THR 25 H THR 25 -2.134 -3.071 4.249 201 HA THR 25 HA THR 25 -0.270 -3.564 6.399 202 HB THR 25 HB THR 25 -2.485 -3.326 7.275 203 HG1 THR 25 1HG THR 25 -1.272 -4.929 8.214 204 HG21 THR 25 1HG2 THR 25 -3.818 -3.791 5.272 205 HG22 THR 25 2HG2 THR 25 -4.380 -4.778 6.622 206 HG23 THR 25 3HG2 THR 25 -3.375 -5.496 5.362 207 H GLU 26 H GLU 26 1.292 -4.788 5.818 208 HA GLU 26 HA GLU 26 0.991 -6.881 3.872 209 HB2 GLU 26 2HB GLU 26 3.061 -5.528 3.969 210 HB3 GLU 26 1HB GLU 26 3.326 -6.073 5.617 211 HG2 GLU 26 2HG GLU 26 3.480 -8.405 4.745 212 HG3 GLU 26 1HG GLU 26 3.425 -7.731 3.116 Start of MODEL 17 1 H1 CYS 1 1HT CYS 1 -6.498 8.092 3.866 2 H2 CYS 1 2HT CYS 1 -6.304 8.759 2.325 3 H3 CYS 1 3HT CYS 1 -5.296 9.255 3.600 4 HA CYS 1 HA CYS 1 -4.213 7.743 2.070 5 HB2 CYS 1 2HB CYS 1 -4.684 6.743 4.889 6 HB3 CYS 1 1HB CYS 1 -3.439 6.121 3.825 7 H GLN 2 H GLN 2 -4.787 6.360 0.485 8 HA GLN 2 HA GLN 2 -7.081 4.717 0.655 9 HB2 GLN 2 2HB GLN 2 -4.737 4.587 -1.263 10 HB3 GLN 2 1HB GLN 2 -6.170 3.589 -1.407 11 HG2 GLN 2 2HG GLN 2 -6.370 5.387 -2.951 12 HG3 GLN 2 1HG GLN 2 -7.513 5.672 -1.645 13 HE21 GLN 2 1HE2 GLN 2 -7.630 7.842 -2.011 14 HE22 GLN 2 2HE2 GLN 2 -6.336 8.934 -1.685 15 H THR 3 H THR 3 -7.358 2.799 1.533 16 HA THR 3 HA THR 3 -5.051 1.497 2.684 17 HB THR 3 HB THR 3 -7.998 0.877 2.936 18 HG1 THR 3 1HG THR 3 -6.959 2.960 3.767 19 HG21 THR 3 1HG2 THR 3 -6.523 -1.040 3.458 20 HG22 THR 3 2HG2 THR 3 -7.334 -0.436 4.898 21 HG23 THR 3 3HG2 THR 3 -5.640 -0.036 4.611 22 H TRP 4 H TRP 4 -4.144 -0.202 1.782 23 HA TRP 4 HA TRP 4 -5.440 -1.454 -0.533 24 HB2 TRP 4 2HB TRP 4 -2.548 -1.584 0.359 25 HB3 TRP 4 1HB TRP 4 -3.207 -2.244 -1.128 26 HD1 TRP 4 HD TRP 4 -1.941 0.964 0.412 27 HE1 TRP 4 1HE TRP 4 -1.836 2.785 -1.392 28 HE3 TRP 4 3HE TRP 4 -4.446 -1.441 -3.333 29 HZ2 TRP 4 2HZ TRP 4 -2.682 3.172 -4.016 30 HZ3 TRP 4 3HZ TRP 4 -4.757 -0.265 -5.475 31 HH2 TRP 4 HH TRP 4 -3.894 1.993 -5.807 32 H ARG 5 H ARG 5 -6.529 -3.228 0.049 33 HA ARG 5 HA ARG 5 -5.418 -4.815 2.231 34 HB2 ARG 5 2HB ARG 5 -8.247 -4.742 1.176 35 HB3 ARG 5 1HB ARG 5 -7.678 -5.857 2.406 36 HG2 ARG 5 2HG ARG 5 -7.103 -3.902 3.833 37 HG3 ARG 5 1HG ARG 5 -7.835 -2.856 2.615 38 HD2 ARG 5 2HD ARG 5 -9.423 -3.303 4.405 39 HD3 ARG 5 1HD ARG 5 -9.967 -4.042 2.899 40 HE ARG 5 HE ARG 5 -8.444 -5.865 4.461 41 HH11 ARG 5 1HH1 ARG 5 -11.718 -4.491 4.224 42 HH12 ARG 5 2HH1 ARG 5 -12.444 -5.831 4.988 43 HH21 ARG 5 1HH2 ARG 5 -9.463 -7.626 5.522 44 HH22 ARG 5 2HH2 ARG 5 -11.162 -7.644 5.733 45 H DAR 6 H DAR 6 -4.474 -6.547 1.772 46 HA DAR 6 HA DAR 6 -5.376 -8.596 0.100 47 HB2 DAR 6 1HB DAR 6 -3.936 -8.986 1.991 48 HB3 DAR 6 2HB DAR 6 -2.657 -8.032 1.265 49 HG2 DAR 6 1HG DAR 6 -2.568 -9.719 -0.585 50 HG3 DAR 6 2HG DAR 6 -3.654 -10.725 0.381 51 HD2 DAR 6 1HD DAR 6 -1.309 -11.335 0.742 52 HD3 DAR 6 2HD DAR 6 -2.045 -10.701 2.217 53 HE DAR 6 HE DAR 6 -0.648 -8.795 0.542 54 HH11 DAR 6 1HH2 DAR 6 1.086 -7.557 1.634 55 HH12 DAR 6 2HH2 DAR 6 1.723 -8.164 3.090 56 HH21 DAR 6 1HH1 DAR 6 -0.378 -10.980 3.319 57 HH22 DAR 6 2HH1 DAR 6 0.871 -10.119 4.066 58 H VAL 7 H VAL 7 -2.643 -6.396 -0.340 59 HA VAL 7 HA VAL 7 -2.635 -7.109 -3.178 60 HB VAL 7 HB VAL 7 -1.243 -5.080 -3.544 61 HG11 VAL 7 1HG1 VAL 7 -3.760 -4.476 -1.997 62 HG12 VAL 7 2HG1 VAL 7 -3.665 -4.876 -3.707 63 HG13 VAL 7 3HG1 VAL 7 -2.946 -3.379 -3.114 64 HG21 VAL 7 1HG2 VAL 7 -0.895 -3.459 -1.739 65 HG22 VAL 7 2HG2 VAL 7 -0.133 -5.012 -1.385 66 HG23 VAL 7 3HG2 VAL 7 -1.648 -4.576 -0.596 67 H SER 8 H SER 8 -0.275 -7.263 -4.085 68 HA SER 8 HA SER 8 0.993 -9.277 -2.529 69 HB2 SER 8 2HB SER 8 2.092 -7.850 -4.953 70 HB3 SER 8 1HB SER 8 2.481 -9.476 -4.389 71 HG SER 8 HG SER 8 0.196 -8.481 -5.629 72 HA PRO 9 HA PRO 9 3.891 -7.085 0.045 73 HB2 PRO 9 2HB PRO 9 5.987 -8.708 -1.347 74 HB3 PRO 9 1HB PRO 9 5.760 -8.431 0.385 75 HG2 PRO 9 2HG PRO 9 4.998 -10.719 -0.671 76 HG3 PRO 9 1HG PRO 9 3.963 -9.902 0.516 77 HD2 PRO 9 2HD PRO 9 3.657 -10.104 -2.445 78 HD3 PRO 9 1HD PRO 9 2.416 -10.103 -1.172 79 H GLU 10 H GLU 10 5.283 -7.736 -3.154 80 HA GLU 10 HA GLU 10 6.955 -5.540 -3.285 81 HB2 GLU 10 2HB GLU 10 5.644 -7.124 -5.494 82 HB3 GLU 10 1HB GLU 10 6.846 -5.883 -5.790 83 HG2 GLU 10 2HG GLU 10 7.824 -8.124 -5.860 84 HG3 GLU 10 1HG GLU 10 8.507 -7.155 -4.561 85 H GLU 11 H GLU 11 3.674 -5.912 -4.588 86 HA GLU 11 HA GLU 11 3.346 -3.369 -5.689 87 HB2 GLU 11 2HB GLU 11 1.258 -5.092 -4.351 88 HB3 GLU 11 1HB GLU 11 0.921 -3.707 -5.368 89 HG2 GLU 11 2HG GLU 11 1.887 -4.861 -7.272 90 HG3 GLU 11 1HG GLU 11 2.264 -6.253 -6.256 91 H CYS 12 H CYS 12 2.593 -4.554 -2.445 92 HA CYS 12 HA CYS 12 1.414 -2.293 -1.352 93 HB2 CYS 12 2HB CYS 12 1.445 -4.511 -0.258 94 HB3 CYS 12 1HB CYS 12 3.163 -4.319 0.046 95 H ARG 13 H ARG 13 4.813 -3.278 -1.263 96 HA ARG 13 HA ARG 13 5.712 -1.040 0.179 97 HB2 ARG 13 2HB ARG 13 7.211 -2.894 -1.670 98 HB3 ARG 13 1HB ARG 13 7.976 -1.731 -0.592 99 HG2 ARG 13 2HG ARG 13 7.069 -2.902 1.338 100 HG3 ARG 13 1HG ARG 13 6.227 -4.026 0.275 101 HD2 ARG 13 2HD ARG 13 8.250 -5.050 1.111 102 HD3 ARG 13 1HD ARG 13 8.388 -4.762 -0.622 103 HE ARG 13 HE ARG 13 9.473 -2.601 0.839 104 HH11 ARG 13 1HH1 ARG 13 10.224 -5.905 -0.189 105 HH12 ARG 13 2HH1 ARG 13 11.908 -5.729 -0.037 106 HH21 ARG 13 1HH2 ARG 13 11.814 -2.350 1.041 107 HH22 ARG 13 2HH2 ARG 13 12.820 -3.674 0.686 108 H LYS 14 H LYS 14 5.384 -1.684 -3.265 109 HA LYS 14 HA LYS 14 6.659 0.679 -4.131 110 HB2 LYS 14 2HB LYS 14 4.591 -1.036 -5.520 111 HB3 LYS 14 1HB LYS 14 5.457 0.287 -6.290 112 HG2 LYS 14 2HG LYS 14 7.568 -0.864 -5.975 113 HG3 LYS 14 1HG LYS 14 6.754 -2.142 -5.078 114 HD2 LYS 14 2HD LYS 14 7.205 -2.892 -7.333 115 HD3 LYS 14 1HD LYS 14 5.469 -2.712 -7.107 116 HE2 LYS 14 2HE LYS 14 5.546 -0.548 -8.260 117 HE3 LYS 14 1HE LYS 14 7.290 -0.722 -8.440 118 HZ1 LYS 14 1HZ LYS 14 6.935 -2.652 -9.823 119 HZ2 LYS 14 2HZ LYS 14 6.059 -1.348 -10.453 120 HZ3 LYS 14 3HZ LYS 14 5.277 -2.551 -9.598 121 H TYR 15 H TYR 15 3.238 -0.084 -3.520 122 HA TYR 15 HA TYR 15 2.202 2.428 -4.225 123 HB2 TYR 15 2HB TYR 15 1.159 0.450 -2.194 124 HB3 TYR 15 1HB TYR 15 0.279 1.874 -2.716 125 HD1 TYR 15 1HD TYR 15 0.860 1.740 -5.682 126 HD2 TYR 15 2HD TYR 15 -0.226 -1.279 -2.885 127 HE1 TYR 15 1HE TYR 15 -0.195 0.473 -7.472 128 HE2 TYR 15 2HE TYR 15 -1.270 -2.570 -4.679 129 HH TYR 15 HH TYR 15 -0.761 -1.920 -7.916 130 H LYS 16 H LYS 16 3.339 1.220 -1.120 131 HA LYS 16 HA LYS 16 2.707 3.517 0.362 132 HB2 LYS 16 2HB LYS 16 4.813 1.404 0.857 133 HB3 LYS 16 1HB LYS 16 4.402 2.665 2.011 134 HG2 LYS 16 2HG LYS 16 2.135 1.820 2.179 135 HG3 LYS 16 1HG LYS 16 2.472 0.613 0.943 136 HD2 LYS 16 2HD LYS 16 2.536 -0.386 3.181 137 HD3 LYS 16 1HD LYS 16 4.124 -0.442 2.422 138 HE2 LYS 16 2HE LYS 16 4.870 1.425 3.742 139 HE3 LYS 16 1HE LYS 16 3.258 1.662 4.406 140 HZ1 LYS 16 1HZ LYS 16 4.965 -0.734 4.825 141 HZ2 LYS 16 2HZ LYS 16 3.445 -0.477 5.523 142 HZ3 LYS 16 3HZ LYS 16 4.736 0.516 5.921 143 H GLU 17 H GLU 17 5.672 2.603 -1.347 144 HA GLU 17 HA GLU 17 7.055 4.953 -0.502 145 HB2 GLU 17 2HB GLU 17 8.006 2.651 -1.242 146 HB3 GLU 17 1HB GLU 17 7.831 3.284 -2.873 147 HG2 GLU 17 2HG GLU 17 10.082 3.643 -2.116 148 HG3 GLU 17 1HG GLU 17 9.254 5.196 -2.246 149 H GLU 18 H GLU 18 4.887 4.205 -3.061 150 HA GLU 18 HA GLU 18 5.708 6.297 -4.846 151 HB2 GLU 18 2HB GLU 18 4.629 4.261 -5.674 152 HB3 GLU 18 1HB GLU 18 3.189 4.637 -4.749 153 HG2 GLU 18 2HG GLU 18 2.857 5.162 -7.070 154 HG3 GLU 18 1HG GLU 18 2.851 6.640 -6.111 155 H TYR 19 H TYR 19 2.792 5.781 -2.890 156 HA TYR 19 HA TYR 19 1.887 8.423 -3.590 157 HB2 TYR 19 2HB TYR 19 0.575 6.294 -1.925 158 HB3 TYR 19 1HB TYR 19 -0.173 7.821 -2.375 159 HD1 TYR 19 1HD TYR 19 0.530 4.441 -3.378 160 HD2 TYR 19 2HD TYR 19 -0.542 8.289 -4.841 161 HE1 TYR 19 1HE TYR 19 -0.268 3.422 -5.464 162 HE2 TYR 19 2HE TYR 19 -1.335 7.285 -6.920 163 HH TYR 19 HH TYR 19 -0.938 5.256 -8.210 164 H DSG 20 H DAS 20 2.723 6.795 -0.530 165 HA DSG 20 HA DAS 20 2.755 9.492 0.608 166 HB2 DSG 20 1HB DAS 20 4.150 7.014 1.632 167 HB3 DSG 20 2HB DAS 20 4.147 8.569 2.455 168 HD21 DSG 20 1HD2 DAS 20 5.461 6.709 -0.062 169 HD22 DSG 20 2HD2 DAS 20 6.644 7.844 -0.613 170 H CYS 21 H CYS 21 0.537 9.517 0.839 171 HA CYS 21 HA CYS 21 -0.283 8.342 3.331 172 HB2 CYS 21 2HB CYS 21 -0.845 10.667 2.945 173 HB3 CYS 21 1HB CYS 21 -1.659 10.264 1.446 174 H VAL 22 H VAL 22 -0.334 6.215 2.830 175 HA VAL 22 HA VAL 22 -2.850 5.290 1.804 176 HB VAL 22 HB VAL 22 -1.767 3.374 0.572 177 HG11 VAL 22 1HG1 VAL 22 -1.186 4.575 -1.486 178 HG12 VAL 22 2HG1 VAL 22 -1.179 6.085 -0.574 179 HG13 VAL 22 3HG1 VAL 22 -2.675 5.165 -0.743 180 HG21 VAL 22 1HG2 VAL 22 0.452 3.451 1.552 181 HG22 VAL 22 2HG2 VAL 22 0.749 5.021 0.796 182 HG23 VAL 22 3HG2 VAL 22 0.538 3.582 -0.206 183 H ARG 23 H ARG 23 -3.258 3.134 2.634 184 HA ARG 23 HA ARG 23 -1.515 2.530 4.906 185 HB2 ARG 23 2HB ARG 23 -3.659 3.458 5.707 186 HB3 ARG 23 1HB ARG 23 -4.527 2.208 4.821 187 HG2 ARG 23 2HG ARG 23 -3.520 0.483 6.202 188 HG3 ARG 23 1HG ARG 23 -2.562 1.699 7.044 189 HD2 ARG 23 2HD ARG 23 -4.589 2.733 7.862 190 HD3 ARG 23 1HD ARG 23 -5.575 1.516 7.043 191 HE ARG 23 HE ARG 23 -3.755 0.194 8.667 192 HH11 ARG 23 1HH1 ARG 23 -6.476 2.412 9.160 193 HH12 ARG 23 2HH1 ARG 23 -6.921 1.758 10.671 194 HH21 ARG 23 1HH2 ARG 23 -4.364 -0.693 10.730 195 HH22 ARG 23 2HH2 ARG 23 -5.692 -0.031 11.583 196 H CYS 24 H CYS 24 -0.484 0.732 4.471 197 HA CYS 24 HA CYS 24 -1.999 -1.514 3.457 198 HB2 CYS 24 2HB CYS 24 -0.936 -0.431 1.491 199 HB3 CYS 24 1HB CYS 24 0.629 -0.579 2.273 200 H THR 25 H THR 25 -1.076 -3.486 4.130 201 HA THR 25 HA THR 25 0.920 -3.135 6.206 202 HB THR 25 HB THR 25 -1.283 -3.608 7.164 203 HG1 THR 25 1HG THR 25 0.191 -6.009 7.434 204 HG21 THR 25 1HG2 THR 25 -2.325 -4.790 5.296 205 HG22 THR 25 2HG2 THR 25 -2.442 -5.750 6.769 206 HG23 THR 25 3HG2 THR 25 -1.244 -6.162 5.541 207 H GLU 26 H GLU 26 2.699 -4.307 6.023 208 HA GLU 26 HA GLU 26 2.809 -6.779 4.565 209 HB2 GLU 26 2HB GLU 26 3.037 -4.652 2.967 210 HB3 GLU 26 1HB GLU 26 4.650 -4.578 3.640 211 HG2 GLU 26 2HG GLU 26 3.524 -6.975 2.194 212 HG3 GLU 26 1HG GLU 26 4.452 -5.693 1.427 Start of MODEL 18 1 H1 CYS 1 1HT CYS 1 -5.027 10.276 2.126 2 H2 CYS 1 2HT CYS 1 -6.472 9.464 2.522 3 H3 CYS 1 3HT CYS 1 -5.946 9.519 0.925 4 HA CYS 1 HA CYS 1 -4.009 8.226 1.483 5 HB2 CYS 1 2HB CYS 1 -5.313 7.956 4.200 6 HB3 CYS 1 1HB CYS 1 -3.750 7.326 3.697 7 H GLN 2 H GLN 2 -4.239 6.109 0.836 8 HA GLN 2 HA GLN 2 -6.981 5.028 0.808 9 HB2 GLN 2 2HB GLN 2 -4.616 4.405 -0.962 10 HB3 GLN 2 1HB GLN 2 -6.138 3.540 -1.016 11 HG2 GLN 2 2HG GLN 2 -5.734 6.458 -1.634 12 HG3 GLN 2 1HG GLN 2 -5.965 5.163 -2.802 13 HE21 GLN 2 1HE2 GLN 2 -7.474 7.205 -0.487 14 HE22 GLN 2 2HE2 GLN 2 -9.102 6.800 -0.866 15 H THR 3 H THR 3 -7.318 2.811 1.236 16 HA THR 3 HA THR 3 -5.174 1.526 2.741 17 HB THR 3 HB THR 3 -8.175 1.065 2.950 18 HG1 THR 3 1HG THR 3 -7.184 3.116 3.722 19 HG21 THR 3 1HG2 THR 3 -7.587 -0.201 4.983 20 HG22 THR 3 2HG2 THR 3 -5.877 0.094 4.671 21 HG23 THR 3 3HG2 THR 3 -6.816 -0.897 3.557 22 H TRP 4 H TRP 4 -4.477 -0.388 2.011 23 HA TRP 4 HA TRP 4 -5.687 -1.411 -0.456 24 HB2 TRP 4 2HB TRP 4 -2.907 -1.849 0.667 25 HB3 TRP 4 1HB TRP 4 -3.496 -2.443 -0.885 26 HD1 TRP 4 HD TRP 4 -2.188 0.681 0.815 27 HE1 TRP 4 1HE TRP 4 -1.883 2.538 -0.942 28 HE3 TRP 4 3HE TRP 4 -4.436 -1.580 -3.175 29 HZ2 TRP 4 2HZ TRP 4 -2.505 2.990 -3.630 30 HZ3 TRP 4 3HZ TRP 4 -4.537 -0.368 -5.309 31 HH2 TRP 4 HH TRP 4 -3.592 1.873 -5.535 32 H ARG 5 H ARG 5 -6.424 -3.486 -0.551 33 HA ARG 5 HA ARG 5 -6.399 -4.923 2.014 34 HB2 ARG 5 2HB ARG 5 -8.466 -5.032 -0.176 35 HB3 ARG 5 1HB ARG 5 -8.509 -5.940 1.320 36 HG2 ARG 5 2HG ARG 5 -8.706 -3.882 2.582 37 HG3 ARG 5 1HG ARG 5 -8.636 -2.954 1.078 38 HD2 ARG 5 2HD ARG 5 -10.682 -4.082 0.319 39 HD3 ARG 5 1HD ARG 5 -10.718 -4.999 1.823 40 HE ARG 5 HE ARG 5 -10.743 -2.107 1.981 41 HH11 ARG 5 1HH1 ARG 5 -12.569 -5.127 2.149 42 HH12 ARG 5 2HH1 ARG 5 -13.868 -4.505 3.031 43 HH21 ARG 5 1HH2 ARG 5 -12.549 -1.202 3.188 44 HH22 ARG 5 2HH2 ARG 5 -13.843 -2.201 3.683 45 H DAR 6 H DAR 6 -4.741 -6.288 1.745 46 HA DAR 6 HA DAR 6 -5.357 -8.608 0.238 47 HB2 DAR 6 1HB DAR 6 -4.243 -8.757 2.419 48 HB3 DAR 6 2HB DAR 6 -2.818 -7.978 1.745 49 HG2 DAR 6 1HG DAR 6 -2.493 -9.839 0.224 50 HG3 DAR 6 2HG DAR 6 -3.947 -10.619 0.835 51 HD2 DAR 6 1HD DAR 6 -1.976 -11.615 1.821 52 HD3 DAR 6 2HD DAR 6 -2.929 -10.790 3.052 53 HE DAR 6 HE DAR 6 -1.298 -8.911 2.733 54 HH11 DAR 6 1HH2 DAR 6 0.972 -8.561 3.247 55 HH12 DAR 6 2HH2 DAR 6 2.055 -9.861 3.143 56 HH21 DAR 6 1HH1 DAR 6 -0.338 -12.297 2.201 57 HH22 DAR 6 2HH1 DAR 6 1.293 -12.016 2.574 58 H VAL 7 H VAL 7 -2.624 -6.323 -0.053 59 HA VAL 7 HA VAL 7 -2.510 -7.191 -2.843 60 HB VAL 7 HB VAL 7 -1.216 -5.120 -3.323 61 HG11 VAL 7 1HG1 VAL 7 -3.622 -5.109 -3.651 62 HG12 VAL 7 2HG1 VAL 7 -3.072 -3.530 -3.087 63 HG13 VAL 7 3HG1 VAL 7 -3.867 -4.640 -1.969 64 HG21 VAL 7 1HG2 VAL 7 -1.095 -3.342 -1.650 65 HG22 VAL 7 2HG2 VAL 7 -0.240 -4.791 -1.114 66 HG23 VAL 7 3HG2 VAL 7 -1.831 -4.414 -0.460 67 H SER 8 H SER 8 -0.332 -7.310 -3.839 68 HA SER 8 HA SER 8 1.253 -9.115 -2.350 69 HB2 SER 8 2HB SER 8 1.898 -7.740 -4.963 70 HB3 SER 8 1HB SER 8 2.514 -9.288 -4.375 71 HG SER 8 HG SER 8 0.641 -9.147 -5.931 72 HA PRO 9 HA PRO 9 3.952 -6.448 0.006 73 HB2 PRO 9 2HB PRO 9 6.043 -8.311 -1.042 74 HB3 PRO 9 1HB PRO 9 5.800 -7.712 0.605 75 HG2 PRO 9 2HG PRO 9 4.968 -10.125 -0.006 76 HG3 PRO 9 1HG PRO 9 3.929 -9.056 0.956 77 HD2 PRO 9 2HD PRO 9 3.698 -9.837 -1.917 78 HD3 PRO 9 1HD PRO 9 2.428 -9.534 -0.710 79 H GLU 10 H GLU 10 5.419 -7.367 -3.150 80 HA GLU 10 HA GLU 10 7.115 -5.110 -3.119 81 HB2 GLU 10 2HB GLU 10 6.337 -6.828 -5.476 82 HB3 GLU 10 1HB GLU 10 7.647 -5.655 -5.464 83 HG2 GLU 10 2HG GLU 10 8.687 -6.935 -3.591 84 HG3 GLU 10 1HG GLU 10 7.461 -8.174 -3.823 85 H GLU 11 H GLU 11 3.999 -5.713 -4.628 86 HA GLU 11 HA GLU 11 3.772 -3.177 -5.856 87 HB2 GLU 11 2HB GLU 11 1.717 -5.186 -4.952 88 HB3 GLU 11 1HB GLU 11 1.265 -3.658 -5.690 89 HG2 GLU 11 2HG GLU 11 2.984 -5.769 -6.962 90 HG3 GLU 11 1HG GLU 11 1.273 -5.495 -7.294 91 H CYS 12 H CYS 12 2.843 -4.453 -2.732 92 HA CYS 12 HA CYS 12 1.569 -2.280 -1.622 93 HB2 CYS 12 2HB CYS 12 1.707 -4.487 -0.524 94 HB3 CYS 12 1HB CYS 12 3.421 -4.232 -0.245 95 H ARG 13 H ARG 13 5.069 -3.031 -1.437 96 HA ARG 13 HA ARG 13 5.651 -0.589 -0.146 97 HB2 ARG 13 2HB ARG 13 8.028 -1.050 -0.584 98 HB3 ARG 13 1HB ARG 13 7.189 -2.433 0.095 99 HG2 ARG 13 2HG ARG 13 7.048 -3.389 -2.160 100 HG3 ARG 13 1HG ARG 13 8.009 -2.038 -2.766 101 HD2 ARG 13 2HD ARG 13 9.424 -3.977 -2.333 102 HD3 ARG 13 1HD ARG 13 9.827 -2.647 -1.247 103 HE ARG 13 HE ARG 13 7.934 -4.558 -0.194 104 HH11 ARG 13 1HH1 ARG 13 11.368 -3.648 -0.392 105 HH12 ARG 13 2HH1 ARG 13 11.804 -4.535 0.972 106 HH21 ARG 13 1HH2 ARG 13 8.576 -5.796 1.656 107 HH22 ARG 13 2HH2 ARG 13 10.203 -5.791 2.163 108 H LYS 14 H LYS 14 5.443 -1.442 -3.518 109 HA LYS 14 HA LYS 14 6.492 0.914 -4.604 110 HB2 LYS 14 2HB LYS 14 5.967 -0.924 -6.055 111 HB3 LYS 14 1HB LYS 14 4.294 -0.935 -5.538 112 HG2 LYS 14 2HG LYS 14 4.538 -0.062 -7.799 113 HG3 LYS 14 1HG LYS 14 3.904 1.161 -6.706 114 HD2 LYS 14 2HD LYS 14 6.054 2.244 -6.595 115 HD3 LYS 14 1HD LYS 14 6.800 0.942 -7.527 116 HE2 LYS 14 2HE LYS 14 5.381 1.491 -9.434 117 HE3 LYS 14 1HE LYS 14 4.608 2.769 -8.501 118 HZ1 LYS 14 1HZ LYS 14 6.353 3.471 -10.095 119 HZ2 LYS 14 2HZ LYS 14 7.519 2.758 -9.111 120 HZ3 LYS 14 3HZ LYS 14 6.566 4.044 -8.543 121 H TYR 15 H TYR 15 3.198 0.126 -3.558 122 HA TYR 15 HA TYR 15 2.142 2.690 -4.127 123 HB2 TYR 15 2HB TYR 15 1.088 0.682 -2.113 124 HB3 TYR 15 1HB TYR 15 0.170 1.983 -2.853 125 HD1 TYR 15 1HD TYR 15 -0.358 -1.091 -2.797 126 HD2 TYR 15 2HD TYR 15 1.338 1.503 -5.720 127 HE1 TYR 15 1HE TYR 15 -0.974 -2.675 -4.566 128 HE2 TYR 15 2HE TYR 15 0.720 -0.067 -7.485 129 HH TYR 15 HH TYR 15 0.315 -2.566 -7.638 130 H LYS 16 H LYS 16 3.587 1.269 -1.297 131 HA LYS 16 HA LYS 16 3.061 3.316 0.550 132 HB2 LYS 16 2HB LYS 16 5.358 1.376 0.452 133 HB3 LYS 16 1HB LYS 16 5.004 2.431 1.805 134 HG2 LYS 16 2HG LYS 16 2.867 1.327 2.148 135 HG3 LYS 16 1HG LYS 16 3.153 0.309 0.736 136 HD2 LYS 16 2HD LYS 16 3.663 -0.924 2.754 137 HD3 LYS 16 1HD LYS 16 5.144 -0.637 1.850 138 HE2 LYS 16 2HE LYS 16 5.495 -0.265 4.225 139 HE3 LYS 16 1HE LYS 16 5.692 1.237 3.334 140 HZ1 LYS 16 1HZ LYS 16 4.397 1.521 5.358 141 HZ2 LYS 16 2HZ LYS 16 3.265 0.421 4.833 142 HZ3 LYS 16 3HZ LYS 16 3.445 1.888 4.019 143 H GLU 17 H GLU 17 5.639 2.951 -1.800 144 HA GLU 17 HA GLU 17 6.978 5.331 -0.797 145 HB2 GLU 17 2HB GLU 17 8.250 3.368 -1.529 146 HB3 GLU 17 1HB GLU 17 7.603 3.560 -3.149 147 HG2 GLU 17 2HG GLU 17 9.805 4.429 -3.126 148 HG3 GLU 17 1HG GLU 17 8.693 5.788 -3.245 149 H GLU 18 H GLU 18 4.928 4.373 -3.471 150 HA GLU 18 HA GLU 18 5.551 6.720 -4.989 151 HB2 GLU 18 2HB GLU 18 4.866 4.409 -5.877 152 HB3 GLU 18 1HB GLU 18 3.221 4.907 -5.511 153 HG2 GLU 18 2HG GLU 18 3.723 5.313 -7.830 154 HG3 GLU 18 1HG GLU 18 3.500 6.847 -6.980 155 H TYR 19 H TYR 19 2.783 5.640 -3.028 156 HA TYR 19 HA TYR 19 1.455 8.152 -3.681 157 HB2 TYR 19 2HB TYR 19 0.382 5.811 -2.126 158 HB3 TYR 19 1HB TYR 19 -0.532 7.219 -2.645 159 HD1 TYR 19 1HD TYR 19 -0.159 3.948 -3.275 160 HD2 TYR 19 2HD TYR 19 -0.019 7.618 -5.394 161 HE1 TYR 19 1HE TYR 19 -0.720 2.760 -5.342 162 HE2 TYR 19 2HE TYR 19 -0.581 6.451 -7.473 163 HH TYR 19 HH TYR 19 -0.346 4.083 -8.355 164 H DSG 20 H DAS 20 3.078 6.648 -1.026 165 HA DSG 20 HA DAS 20 2.747 9.166 0.383 166 HB2 DSG 20 1HB DAS 20 4.556 6.856 1.045 167 HB3 DSG 20 2HB DAS 20 4.519 8.388 1.900 168 HD21 DSG 20 1HD2 DAS 20 6.714 7.180 0.593 169 HD22 DSG 20 2HD2 DAS 20 7.220 8.239 -0.669 170 H CYS 21 H CYS 21 0.907 9.235 1.414 171 HA CYS 21 HA CYS 21 0.643 7.683 3.791 172 HB2 CYS 21 2HB CYS 21 0.030 10.083 3.707 173 HB3 CYS 21 1HB CYS 21 -1.279 9.695 2.603 174 H VAL 22 H VAL 22 0.292 5.579 3.225 175 HA VAL 22 HA VAL 22 -2.436 5.002 2.412 176 HB VAL 22 HB VAL 22 -1.707 3.069 1.000 177 HG11 VAL 22 1HG1 VAL 22 -0.684 5.716 0.023 178 HG12 VAL 22 2HG1 VAL 22 -2.331 5.105 -0.121 179 HG13 VAL 22 3HG1 VAL 22 -1.015 4.308 -0.985 180 HG21 VAL 22 1HG2 VAL 22 1.055 4.254 1.267 181 HG22 VAL 22 2HG2 VAL 22 0.606 2.937 0.182 182 HG23 VAL 22 3HG2 VAL 22 0.519 2.710 1.930 183 H ARG 23 H ARG 23 -3.211 3.073 3.246 184 HA ARG 23 HA ARG 23 -1.524 1.925 5.352 185 HB2 ARG 23 2HB ARG 23 -4.548 1.895 5.114 186 HB3 ARG 23 1HB ARG 23 -3.633 1.122 6.402 187 HG2 ARG 23 2HG ARG 23 -2.758 3.351 7.053 188 HG3 ARG 23 1HG ARG 23 -3.797 4.077 5.832 189 HD2 ARG 23 2HD ARG 23 -4.686 2.471 8.228 190 HD3 ARG 23 1HD ARG 23 -4.837 4.214 8.027 191 HE ARG 23 HE ARG 23 -6.114 2.946 5.891 192 HH11 ARG 23 1HH1 ARG 23 -6.572 3.488 9.356 193 HH12 ARG 23 2HH1 ARG 23 -8.250 3.287 9.314 194 HH21 ARG 23 1HH2 ARG 23 -8.370 2.610 5.824 195 HH22 ARG 23 2HH2 ARG 23 -9.332 2.732 7.239 196 H CYS 24 H CYS 24 -0.595 0.131 4.749 197 HA CYS 24 HA CYS 24 -2.033 -1.691 2.980 198 HB2 CYS 24 2HB CYS 24 -0.376 -0.244 1.761 199 HB3 CYS 24 1HB CYS 24 0.887 -0.928 2.772 200 H THR 25 H THR 25 -0.872 -3.861 2.983 201 HA THR 25 HA THR 25 -0.785 -4.903 5.596 202 HB THR 25 HB THR 25 -1.558 -6.242 3.689 203 HG1 THR 25 1HG THR 25 -0.784 -7.426 5.344 204 HG21 THR 25 1HG2 THR 25 1.297 -6.143 2.698 205 HG22 THR 25 2HG2 THR 25 -0.085 -5.358 1.938 206 HG23 THR 25 3HG2 THR 25 0.003 -7.118 2.002 207 H GLU 26 H GLU 26 0.962 -5.697 6.811 208 HA GLU 26 HA GLU 26 3.625 -5.215 5.747 209 HB2 GLU 26 2HB GLU 26 3.067 -3.416 7.384 210 HB3 GLU 26 1HB GLU 26 2.791 -4.653 8.604 211 HG2 GLU 26 2HG GLU 26 5.104 -5.365 8.440 212 HG3 GLU 26 1HG GLU 26 5.396 -4.171 7.182 Start of MODEL 19 1 H1 CYS 1 1HT CYS 1 -5.726 8.247 3.720 2 H2 CYS 1 2HT CYS 1 -4.454 8.754 4.691 3 H3 CYS 1 3HT CYS 1 -5.428 7.439 5.161 4 HA CYS 1 HA CYS 1 -3.687 7.498 2.793 5 HB2 CYS 1 2HB CYS 1 -3.376 6.138 5.481 6 HB3 CYS 1 1HB CYS 1 -2.391 5.769 4.073 7 H GLN 2 H GLN 2 -4.428 6.120 1.234 8 HA GLN 2 HA GLN 2 -6.663 4.467 1.624 9 HB2 GLN 2 2HB GLN 2 -4.573 4.371 -0.558 10 HB3 GLN 2 1HB GLN 2 -5.883 3.215 -0.486 11 HG2 GLN 2 2HG GLN 2 -6.444 4.885 -2.061 12 HG3 GLN 2 1HG GLN 2 -7.483 5.113 -0.659 13 HE21 GLN 2 1HE2 GLN 2 -4.894 6.344 -2.517 14 HE22 GLN 2 2HE2 GLN 2 -4.825 7.920 -1.836 15 H THR 3 H THR 3 -6.912 2.508 2.417 16 HA THR 3 HA THR 3 -4.499 1.119 3.263 17 HB THR 3 HB THR 3 -7.362 0.467 4.024 18 HG1 THR 3 1HG THR 3 -6.404 2.687 4.573 19 HG21 THR 3 1HG2 THR 3 -6.262 -0.616 5.951 20 HG22 THR 3 2HG2 THR 3 -4.688 -0.152 5.309 21 HG23 THR 3 3HG2 THR 3 -5.694 -1.300 4.428 22 H TRP 4 H TRP 4 -3.807 -0.415 2.018 23 HA TRP 4 HA TRP 4 -5.472 -1.539 -0.072 24 HB2 TRP 4 2HB TRP 4 -2.542 -1.948 0.544 25 HB3 TRP 4 1HB TRP 4 -3.384 -2.529 -0.885 26 HD1 TRP 4 HD TRP 4 -1.793 0.561 0.603 27 HE1 TRP 4 1HE TRP 4 -1.728 2.420 -1.178 28 HE3 TRP 4 3HE TRP 4 -4.677 -1.635 -2.999 29 HZ2 TRP 4 2HZ TRP 4 -2.759 2.904 -3.747 30 HZ3 TRP 4 3HZ TRP 4 -5.083 -0.405 -5.084 31 HH2 TRP 4 HH TRP 4 -4.142 1.824 -5.441 32 H ARG 5 H ARG 5 -6.090 -3.626 -0.180 33 HA ARG 5 HA ARG 5 -5.239 -5.459 1.940 34 HB2 ARG 5 2HB ARG 5 -8.018 -5.147 0.765 35 HB3 ARG 5 1HB ARG 5 -7.509 -6.586 1.617 36 HG2 ARG 5 2HG ARG 5 -8.788 -5.294 3.126 37 HG3 ARG 5 1HG ARG 5 -7.110 -5.136 3.628 38 HD2 ARG 5 2HD ARG 5 -8.259 -3.012 3.757 39 HD3 ARG 5 1HD ARG 5 -6.997 -2.952 2.530 40 HE ARG 5 HE ARG 5 -9.039 -3.512 0.994 41 HH11 ARG 5 1HH1 ARG 5 -9.038 -1.309 3.750 42 HH12 ARG 5 2HH1 ARG 5 -10.163 -0.237 3.083 43 HH21 ARG 5 1HH2 ARG 5 -10.607 -2.065 0.084 44 HH22 ARG 5 2HH2 ARG 5 -11.106 -0.675 0.954 45 H DAR 6 H DAR 6 -4.450 -7.286 1.181 46 HA DAR 6 HA DAR 6 -5.401 -8.370 -1.293 47 HB2 DAR 6 1HB DAR 6 -3.979 -10.260 -0.874 48 HB3 DAR 6 2HB DAR 6 -4.917 -9.862 0.552 49 HG2 DAR 6 1HG DAR 6 -2.954 -8.847 1.585 50 HG3 DAR 6 2HG DAR 6 -2.019 -9.190 0.131 51 HD2 DAR 6 1HD DAR 6 -3.340 -11.230 1.916 52 HD3 DAR 6 2HD DAR 6 -1.611 -10.877 1.836 53 HE DAR 6 HE DAR 6 -2.267 -11.467 -0.716 54 HH11 DAR 6 1HH2 DAR 6 -2.227 -13.563 -1.715 55 HH12 DAR 6 2HH2 DAR 6 -2.390 -14.969 -0.768 56 HH21 DAR 6 1HH1 DAR 6 -2.627 -13.235 2.325 57 HH22 DAR 6 2HH1 DAR 6 -2.626 -14.781 1.615 58 H VAL 7 H VAL 7 -2.599 -6.593 -0.307 59 HA VAL 7 HA VAL 7 -1.676 -6.824 -3.071 60 HB VAL 7 HB VAL 7 -0.383 -4.733 -2.717 61 HG11 VAL 7 1HG1 VAL 7 -2.289 -3.189 -2.720 62 HG12 VAL 7 2HG1 VAL 7 -3.328 -4.490 -2.134 63 HG13 VAL 7 3HG1 VAL 7 -2.578 -4.608 -3.726 64 HG21 VAL 7 1HG2 VAL 7 -1.819 -4.607 -0.060 65 HG22 VAL 7 2HG2 VAL 7 -0.812 -3.331 -0.747 66 HG23 VAL 7 3HG2 VAL 7 -0.091 -4.876 -0.290 67 H SER 8 H SER 8 0.486 -7.182 -3.513 68 HA SER 8 HA SER 8 1.779 -8.840 -1.549 69 HB2 SER 8 2HB SER 8 3.503 -9.122 -3.363 70 HB3 SER 8 1HB SER 8 1.868 -9.535 -3.884 71 HG SER 8 HG SER 8 1.731 -7.561 -4.887 72 HA PRO 9 HA PRO 9 4.601 -6.053 0.451 73 HB2 PRO 9 2HB PRO 9 7.031 -7.264 -0.295 74 HB3 PRO 9 1HB PRO 9 6.114 -7.607 1.172 75 HG2 PRO 9 2HG PRO 9 6.167 -9.055 -1.433 76 HG3 PRO 9 1HG PRO 9 6.011 -9.711 0.205 77 HD2 PRO 9 2HD PRO 9 3.901 -9.579 -1.384 78 HD3 PRO 9 1HD PRO 9 3.743 -9.154 0.332 79 H GLU 10 H GLU 10 5.519 -7.155 -2.736 80 HA GLU 10 HA GLU 10 7.234 -5.128 -3.576 81 HB2 GLU 10 2HB GLU 10 6.932 -7.270 -4.696 82 HB3 GLU 10 1HB GLU 10 5.289 -6.830 -5.118 83 HG2 GLU 10 2HG GLU 10 6.177 -4.999 -6.499 84 HG3 GLU 10 1HG GLU 10 7.812 -5.556 -6.127 85 H GLU 11 H GLU 11 3.786 -5.569 -4.372 86 HA GLU 11 HA GLU 11 3.348 -3.133 -5.641 87 HB2 GLU 11 2HB GLU 11 1.425 -4.836 -4.067 88 HB3 GLU 11 1HB GLU 11 0.960 -3.545 -5.166 89 HG2 GLU 11 2HG GLU 11 1.780 -4.738 -7.037 90 HG3 GLU 11 1HG GLU 11 2.563 -5.933 -6.002 91 H CYS 12 H CYS 12 2.818 -4.084 -2.282 92 HA CYS 12 HA CYS 12 1.746 -1.733 -1.292 93 HB2 CYS 12 2HB CYS 12 1.785 -3.736 0.047 94 HB3 CYS 12 1HB CYS 12 3.545 -3.737 0.068 95 H ARG 13 H ARG 13 5.178 -2.662 -1.505 96 HA ARG 13 HA ARG 13 6.121 -0.322 -0.251 97 HB2 ARG 13 2HB ARG 13 7.393 -2.454 -0.414 98 HB3 ARG 13 1HB ARG 13 7.575 -2.178 -2.136 99 HG2 ARG 13 2HG ARG 13 8.858 -0.178 -1.704 100 HG3 ARG 13 1HG ARG 13 8.626 -0.388 0.029 101 HD2 ARG 13 2HD ARG 13 10.026 -2.353 -1.776 102 HD3 ARG 13 1HD ARG 13 10.824 -1.174 -0.736 103 HE ARG 13 HE ARG 13 9.028 -2.832 0.726 104 HH11 ARG 13 1HH1 ARG 13 12.235 -2.809 -0.732 105 HH12 ARG 13 2HH1 ARG 13 12.926 -3.867 0.406 106 HH21 ARG 13 1HH2 ARG 13 9.987 -4.345 2.324 107 HH22 ARG 13 2HH2 ARG 13 11.624 -4.740 2.154 108 H LYS 14 H LYS 14 5.539 -1.224 -3.591 109 HA LYS 14 HA LYS 14 6.667 1.083 -4.755 110 HB2 LYS 14 2HB LYS 14 6.246 -0.934 -6.082 111 HB3 LYS 14 1HB LYS 14 4.516 -0.763 -5.824 112 HG2 LYS 14 2HG LYS 14 5.059 0.010 -8.035 113 HG3 LYS 14 1HG LYS 14 4.586 1.387 -7.037 114 HD2 LYS 14 2HD LYS 14 7.039 1.808 -6.631 115 HD3 LYS 14 1HD LYS 14 7.374 0.577 -7.848 116 HE2 LYS 14 2HE LYS 14 5.878 3.165 -8.238 117 HE3 LYS 14 1HE LYS 14 7.481 2.773 -8.842 118 HZ1 LYS 14 1HZ LYS 14 6.444 1.013 -10.200 119 HZ2 LYS 14 2HZ LYS 14 5.927 2.556 -10.585 120 HZ3 LYS 14 3HZ LYS 14 4.909 1.552 -9.714 121 H TYR 15 H TYR 15 3.339 0.273 -3.789 122 HA TYR 15 HA TYR 15 2.184 2.670 -4.660 123 HB2 TYR 15 2HB TYR 15 1.282 0.814 -2.451 124 HB3 TYR 15 1HB TYR 15 0.332 2.171 -3.029 125 HD1 TYR 15 1HD TYR 15 -0.126 -0.985 -3.000 126 HD2 TYR 15 2HD TYR 15 0.891 1.848 -6.017 127 HE1 TYR 15 1HE TYR 15 -1.115 -2.438 -4.702 128 HE2 TYR 15 2HE TYR 15 -0.094 0.404 -7.713 129 HH TYR 15 HH TYR 15 -2.063 -2.238 -6.918 130 H LYS 16 H LYS 16 3.666 1.822 -1.585 131 HA LYS 16 HA LYS 16 3.065 4.289 -0.360 132 HB2 LYS 16 2HB LYS 16 5.385 2.439 0.198 133 HB3 LYS 16 1HB LYS 16 4.918 3.806 1.197 134 HG2 LYS 16 2HG LYS 16 2.714 2.711 1.549 135 HG3 LYS 16 1HG LYS 16 3.328 1.297 0.686 136 HD2 LYS 16 2HD LYS 16 3.556 0.902 3.024 137 HD3 LYS 16 1HD LYS 16 5.174 1.205 2.381 138 HE2 LYS 16 2HE LYS 16 4.989 3.561 3.158 139 HE3 LYS 16 1HE LYS 16 3.416 3.172 3.844 140 HZ1 LYS 16 1HZ LYS 16 4.552 1.513 5.243 141 HZ2 LYS 16 2HZ LYS 16 5.039 3.089 5.536 142 HZ3 LYS 16 3HZ LYS 16 6.036 2.060 4.646 143 H GLU 17 H GLU 17 5.809 3.189 -2.240 144 HA GLU 17 HA GLU 17 7.433 5.449 -2.014 145 HB2 GLU 17 2HB GLU 17 8.184 3.304 -2.940 146 HB3 GLU 17 1HB GLU 17 7.146 3.540 -4.334 147 HG2 GLU 17 2HG GLU 17 8.445 5.551 -4.919 148 HG3 GLU 17 1HG GLU 17 9.510 5.217 -3.558 149 H GLU 18 H GLU 18 4.854 4.710 -4.287 150 HA GLU 18 HA GLU 18 5.311 7.136 -5.740 151 HB2 GLU 18 2HB GLU 18 4.596 5.134 -6.942 152 HB3 GLU 18 1HB GLU 18 3.091 5.109 -6.033 153 HG2 GLU 18 2HG GLU 18 2.428 7.206 -7.001 154 HG3 GLU 18 1HG GLU 18 3.949 7.338 -7.873 155 H TYR 19 H TYR 19 2.623 5.976 -3.658 156 HA TYR 19 HA TYR 19 1.283 8.485 -4.109 157 HB2 TYR 19 2HB TYR 19 0.451 6.194 -2.343 158 HB3 TYR 19 1HB TYR 19 -0.532 7.598 -2.733 159 HD1 TYR 19 1HD TYR 19 -0.689 7.998 -5.434 160 HD2 TYR 19 2HD TYR 19 -0.018 4.281 -3.489 161 HE1 TYR 19 1HE TYR 19 -1.573 6.822 -7.388 162 HE2 TYR 19 2HE TYR 19 -0.893 3.093 -5.444 163 HH TYR 19 HH TYR 19 -1.301 4.479 -8.414 164 H DSG 20 H DAS 20 2.950 7.008 -1.342 165 HA DSG 20 HA DAS 20 2.687 9.622 -0.073 166 HB2 DSG 20 1HB DAS 20 4.602 7.376 0.557 167 HB3 DSG 20 2HB DAS 20 4.489 8.863 1.488 168 HD21 DSG 20 1HD2 DAS 20 6.660 7.736 -0.001 169 HD22 DSG 20 2HD2 DAS 20 7.177 8.934 -1.142 170 H CYS 21 H CYS 21 0.609 9.383 0.610 171 HA CYS 21 HA CYS 21 0.442 8.082 3.178 172 HB2 CYS 21 2HB CYS 21 -0.311 10.393 2.957 173 HB3 CYS 21 1HB CYS 21 -1.440 9.933 1.705 174 H VAL 22 H VAL 22 0.406 5.919 2.562 175 HA VAL 22 HA VAL 22 -2.251 4.929 2.066 176 HB VAL 22 HB VAL 22 -1.426 3.135 0.505 177 HG11 VAL 22 1HG1 VAL 22 -1.117 5.912 -0.610 178 HG12 VAL 22 2HG1 VAL 22 -2.627 5.025 -0.439 179 HG13 VAL 22 3HG1 VAL 22 -1.388 4.448 -1.556 180 HG21 VAL 22 1HG2 VAL 22 0.909 3.219 0.997 181 HG22 VAL 22 2HG2 VAL 22 1.034 4.851 0.333 182 HG23 VAL 22 3HG2 VAL 22 0.673 3.486 -0.732 183 H ARG 23 H ARG 23 -2.368 2.637 2.714 184 HA ARG 23 HA ARG 23 -0.206 1.791 4.495 185 HB2 ARG 23 2HB ARG 23 -3.130 1.952 5.290 186 HB3 ARG 23 1HB ARG 23 -1.850 1.216 6.239 187 HG2 ARG 23 2HG ARG 23 -2.054 4.144 5.538 188 HG3 ARG 23 1HG ARG 23 -2.484 3.429 7.089 189 HD2 ARG 23 2HD ARG 23 0.270 3.414 5.841 190 HD3 ARG 23 1HD ARG 23 -0.266 4.484 7.127 191 HE ARG 23 HE ARG 23 -0.722 1.877 7.931 192 HH11 ARG 23 1HH1 ARG 23 2.065 3.968 7.210 193 HH12 ARG 23 2HH1 ARG 23 3.096 3.185 8.312 194 HH21 ARG 23 1HH2 ARG 23 0.769 0.799 9.447 195 HH22 ARG 23 2HH2 ARG 23 2.362 1.399 9.590 196 H CYS 24 H CYS 24 -0.226 -0.488 4.803 197 HA CYS 24 HA CYS 24 -1.995 -1.921 2.938 198 HB2 CYS 24 2HB CYS 24 0.807 -2.660 3.775 199 HB3 CYS 24 1HB CYS 24 -0.192 -3.497 2.593 200 H THR 25 H THR 25 -2.751 -3.963 3.615 201 HA THR 25 HA THR 25 -2.924 -4.241 6.481 202 HB THR 25 HB THR 25 -4.232 -5.830 4.256 203 HG1 THR 25 1HG THR 25 -4.896 -3.739 4.159 204 HG21 THR 25 1HG2 THR 25 -4.217 -7.042 6.395 205 HG22 THR 25 2HG2 THR 25 -5.851 -6.499 6.013 206 HG23 THR 25 3HG2 THR 25 -4.890 -5.637 7.216 207 H GLU 26 H GLU 26 -1.029 -5.025 7.202 208 HA GLU 26 HA GLU 26 -0.209 -7.651 6.243 209 HB2 GLU 26 2HB GLU 26 1.477 -6.060 5.538 210 HB3 GLU 26 1HB GLU 26 1.543 -5.356 7.146 211 HG2 GLU 26 2HG GLU 26 2.507 -7.373 8.041 212 HG3 GLU 26 1HG GLU 26 2.329 -8.184 6.488 Start of MODEL 20 1 H1 CYS 1 1HT CYS 1 -5.538 9.130 0.212 2 H2 CYS 1 2HT CYS 1 -4.991 10.000 1.544 3 H3 CYS 1 3HT CYS 1 -6.479 9.161 1.607 4 HA CYS 1 HA CYS 1 -3.840 7.930 1.295 5 HB2 CYS 1 2HB CYS 1 -5.712 7.944 3.682 6 HB3 CYS 1 1HB CYS 1 -4.135 7.162 3.597 7 H GLN 2 H GLN 2 -3.879 5.772 0.807 8 HA GLN 2 HA GLN 2 -6.522 4.644 0.144 9 HB2 GLN 2 2HB GLN 2 -3.816 4.070 -1.083 10 HB3 GLN 2 1HB GLN 2 -5.314 3.282 -1.521 11 HG2 GLN 2 2HG GLN 2 -4.908 6.244 -1.770 12 HG3 GLN 2 1HG GLN 2 -4.514 5.109 -3.055 13 HE21 GLN 2 1HE2 GLN 2 -6.018 6.080 -4.396 14 HE22 GLN 2 2HE2 GLN 2 -7.717 5.829 -4.218 15 H THR 3 H THR 3 -7.084 2.765 1.109 16 HA THR 3 HA THR 3 -5.113 1.468 2.808 17 HB THR 3 HB THR 3 -8.132 1.142 2.761 18 HG1 THR 3 1HG THR 3 -7.908 2.432 4.742 19 HG21 THR 3 1HG2 THR 3 -7.808 0.111 4.971 20 HG22 THR 3 2HG2 THR 3 -6.068 0.348 4.833 21 HG23 THR 3 3HG2 THR 3 -6.894 -0.763 3.742 22 H TRP 4 H TRP 4 -4.118 -0.148 1.876 23 HA TRP 4 HA TRP 4 -5.392 -1.659 -0.296 24 HB2 TRP 4 2HB TRP 4 -2.491 -1.761 0.563 25 HB3 TRP 4 1HB TRP 4 -3.184 -2.340 -0.940 26 HD1 TRP 4 HD TRP 4 -1.695 0.703 0.671 27 HE1 TRP 4 1HE TRP 4 -1.585 2.622 -1.038 28 HE3 TRP 4 3HE TRP 4 -4.556 -1.323 -3.030 29 HZ2 TRP 4 2HZ TRP 4 -2.566 3.213 -3.582 30 HZ3 TRP 4 3HZ TRP 4 -4.925 -0.002 -5.084 31 HH2 TRP 4 HH TRP 4 -3.952 2.217 -5.347 32 H ARG 5 H ARG 5 -6.410 -3.422 0.461 33 HA ARG 5 HA ARG 5 -5.127 -4.921 2.624 34 HB2 ARG 5 2HB ARG 5 -8.056 -4.702 1.922 35 HB3 ARG 5 1HB ARG 5 -7.428 -5.850 3.094 36 HG2 ARG 5 2HG ARG 5 -6.559 -3.997 4.435 37 HG3 ARG 5 1HG ARG 5 -7.209 -2.856 3.264 38 HD2 ARG 5 2HD ARG 5 -9.469 -3.615 3.769 39 HD3 ARG 5 1HD ARG 5 -8.834 -4.806 4.903 40 HE ARG 5 HE ARG 5 -7.800 -2.381 5.667 41 HH11 ARG 5 1HH1 ARG 5 -11.011 -3.889 5.622 42 HH12 ARG 5 2HH1 ARG 5 -11.671 -2.818 6.758 43 HH21 ARG 5 1HH2 ARG 5 -8.718 -0.967 7.290 44 HH22 ARG 5 2HH2 ARG 5 -10.344 -1.173 7.743 45 H DAR 6 H DAR 6 -4.089 -6.548 1.864 46 HA DAR 6 HA DAR 6 -5.404 -8.485 0.213 47 HB2 DAR 6 1HB DAR 6 -2.606 -8.425 1.319 48 HB3 DAR 6 2HB DAR 6 -3.256 -9.757 0.383 49 HG2 DAR 6 1HG DAR 6 -4.280 -8.812 3.046 50 HG3 DAR 6 2HG DAR 6 -3.302 -10.245 2.755 51 HD2 DAR 6 1HD DAR 6 -5.101 -11.143 1.309 52 HD3 DAR 6 2HD DAR 6 -6.087 -9.741 1.729 53 HE DAR 6 HE DAR 6 -5.127 -11.094 4.017 54 HH11 DAR 6 1HH2 DAR 6 -6.621 -12.359 5.328 55 HH12 DAR 6 2HH2 DAR 6 -8.137 -12.792 4.695 56 HH21 DAR 6 1HH1 DAR 6 -7.695 -11.177 1.573 57 HH22 DAR 6 2HH1 DAR 6 -8.767 -12.078 2.531 58 H VAL 7 H VAL 7 -2.324 -6.725 -0.152 59 HA VAL 7 HA VAL 7 -2.518 -7.304 -3.001 60 HB VAL 7 HB VAL 7 -1.379 -5.173 -3.550 61 HG11 VAL 7 1HG1 VAL 7 -3.202 -3.597 -3.116 62 HG12 VAL 7 2HG1 VAL 7 -3.882 -4.724 -1.942 63 HG13 VAL 7 3HG1 VAL 7 -3.789 -5.174 -3.644 64 HG21 VAL 7 1HG2 VAL 7 -1.686 -4.479 -0.629 65 HG22 VAL 7 2HG2 VAL 7 -1.103 -3.393 -1.892 66 HG23 VAL 7 3HG2 VAL 7 -0.170 -4.826 -1.460 67 H SER 8 H SER 8 -0.454 -7.597 -4.027 68 HA SER 8 HA SER 8 1.187 -9.284 -2.550 69 HB2 SER 8 2HB SER 8 1.760 -7.907 -5.179 70 HB3 SER 8 1HB SER 8 2.513 -9.390 -4.578 71 HG SER 8 HG SER 8 -0.033 -9.825 -4.390 72 HA PRO 9 HA PRO 9 3.940 -6.892 -0.056 73 HB2 PRO 9 2HB PRO 9 6.031 -8.589 -1.345 74 HB3 PRO 9 1HB PRO 9 5.805 -8.186 0.363 75 HG2 PRO 9 2HG PRO 9 5.027 -10.540 -0.548 76 HG3 PRO 9 1HG PRO 9 4.021 -9.647 0.608 77 HD2 PRO 9 2HD PRO 9 3.616 -10.082 -2.307 78 HD3 PRO 9 1HD PRO 9 2.428 -9.888 -1.009 79 H GLU 10 H GLU 10 5.376 -7.563 -3.271 80 HA GLU 10 HA GLU 10 7.102 -5.344 -3.166 81 HB2 GLU 10 2HB GLU 10 6.098 -6.830 -5.598 82 HB3 GLU 10 1HB GLU 10 7.440 -5.695 -5.590 83 HG2 GLU 10 2HG GLU 10 7.319 -8.340 -4.144 84 HG3 GLU 10 1HG GLU 10 8.271 -7.964 -5.576 85 H GLU 11 H GLU 11 3.931 -5.764 -4.644 86 HA GLU 11 HA GLU 11 3.784 -3.158 -5.730 87 HB2 GLU 11 2HB GLU 11 1.571 -5.060 -4.957 88 HB3 GLU 11 1HB GLU 11 1.316 -3.554 -5.826 89 HG2 GLU 11 2HG GLU 11 2.737 -4.382 -7.644 90 HG3 GLU 11 1HG GLU 11 2.938 -5.900 -6.774 91 H CYS 12 H CYS 12 2.862 -4.511 -2.642 92 HA CYS 12 HA CYS 12 1.554 -2.334 -1.495 93 HB2 CYS 12 2HB CYS 12 1.691 -4.570 -0.442 94 HB3 CYS 12 1HB CYS 12 3.409 -4.333 -0.171 95 H ARG 13 H ARG 13 5.000 -3.132 -1.551 96 HA ARG 13 HA ARG 13 6.039 -0.918 -0.168 97 HB2 ARG 13 2HB ARG 13 7.253 -2.474 -2.448 98 HB3 ARG 13 1HB ARG 13 8.137 -1.422 -1.358 99 HG2 ARG 13 2HG ARG 13 7.701 -2.866 0.480 100 HG3 ARG 13 1HG ARG 13 6.624 -3.861 -0.503 101 HD2 ARG 13 2HD ARG 13 8.767 -4.926 -0.288 102 HD3 ARG 13 1HD ARG 13 8.522 -4.427 -1.962 103 HE ARG 13 HE ARG 13 9.918 -2.440 -0.577 104 HH11 ARG 13 1HH1 ARG 13 10.352 -5.702 -1.878 105 HH12 ARG 13 2HH1 ARG 13 12.047 -5.620 -1.914 106 HH21 ARG 13 1HH2 ARG 13 12.244 -2.312 -0.674 107 HH22 ARG 13 2HH2 ARG 13 13.157 -3.635 -1.243 108 H LYS 14 H LYS 14 5.453 -1.487 -3.577 109 HA LYS 14 HA LYS 14 6.442 0.936 -4.532 110 HB2 LYS 14 2HB LYS 14 4.391 -0.927 -5.740 111 HB3 LYS 14 1HB LYS 14 5.131 0.420 -6.598 112 HG2 LYS 14 2HG LYS 14 7.316 -0.577 -6.391 113 HG3 LYS 14 1HG LYS 14 6.672 -1.856 -5.377 114 HD2 LYS 14 2HD LYS 14 7.029 -2.788 -7.540 115 HD3 LYS 14 1HD LYS 14 5.295 -2.596 -7.351 116 HE2 LYS 14 2HE LYS 14 6.991 -0.555 -8.782 117 HE3 LYS 14 1HE LYS 14 6.348 -1.968 -9.602 118 HZ1 LYS 14 1HZ LYS 14 4.110 -1.198 -9.052 119 HZ2 LYS 14 2HZ LYS 14 4.948 -0.047 -9.928 120 HZ3 LYS 14 3HZ LYS 14 4.729 0.170 -8.291 121 H TYR 15 H TYR 15 3.127 0.059 -3.625 122 HA TYR 15 HA TYR 15 2.000 2.563 -4.238 123 HB2 TYR 15 2HB TYR 15 1.112 0.510 -2.206 124 HB3 TYR 15 1HB TYR 15 0.176 1.933 -2.633 125 HD1 TYR 15 1HD TYR 15 0.446 2.004 -5.566 126 HD2 TYR 15 2HD TYR 15 -0.117 -1.309 -2.957 127 HE1 TYR 15 1HE TYR 15 -0.652 0.784 -7.367 128 HE2 TYR 15 2HE TYR 15 -1.204 -2.550 -4.763 129 HH TYR 15 HH TYR 15 -1.031 -1.608 -7.972 130 H LYS 16 H LYS 16 3.483 1.349 -1.302 131 HA LYS 16 HA LYS 16 2.961 3.585 0.329 132 HB2 LYS 16 2HB LYS 16 5.189 1.563 0.424 133 HB3 LYS 16 1HB LYS 16 4.964 2.787 1.656 134 HG2 LYS 16 2HG LYS 16 2.719 1.853 2.117 135 HG3 LYS 16 1HG LYS 16 3.016 0.610 0.907 136 HD2 LYS 16 2HD LYS 16 3.469 -0.422 2.977 137 HD3 LYS 16 1HD LYS 16 5.044 -0.051 2.297 138 HE2 LYS 16 2HE LYS 16 3.625 1.629 4.381 139 HE3 LYS 16 1HE LYS 16 4.833 0.413 4.747 140 HZ1 LYS 16 1HZ LYS 16 5.258 2.980 3.283 141 HZ2 LYS 16 2HZ LYS 16 6.430 1.781 3.411 142 HZ3 LYS 16 3HZ LYS 16 5.839 2.530 4.793 143 H GLU 17 H GLU 17 5.775 2.776 -1.634 144 HA GLU 17 HA GLU 17 7.198 5.132 -1.046 145 HB2 GLU 17 2HB GLU 17 8.242 3.059 -1.874 146 HB3 GLU 17 1HB GLU 17 7.437 3.273 -3.419 147 HG2 GLU 17 2HG GLU 17 8.720 5.256 -3.864 148 HG3 GLU 17 1HG GLU 17 9.426 5.195 -2.252 149 H GLU 18 H GLU 18 4.696 4.402 -3.325 150 HA GLU 18 HA GLU 18 5.155 6.720 -4.961 151 HB2 GLU 18 2HB GLU 18 4.126 4.642 -5.851 152 HB3 GLU 18 1HB GLU 18 2.727 4.935 -4.832 153 HG2 GLU 18 2HG GLU 18 2.210 5.645 -7.051 154 HG3 GLU 18 1HG GLU 18 2.365 7.075 -6.032 155 H TYR 19 H TYR 19 2.506 5.831 -2.719 156 HA TYR 19 HA TYR 19 1.462 8.509 -3.122 157 HB2 TYR 19 2HB TYR 19 0.228 6.134 -1.786 158 HB3 TYR 19 1HB TYR 19 -0.579 7.679 -2.023 159 HD1 TYR 19 1HD TYR 19 0.033 4.467 -3.365 160 HD2 TYR 19 2HD TYR 19 -0.733 8.492 -4.505 161 HE1 TYR 19 1HE TYR 19 -0.724 3.695 -5.569 162 HE2 TYR 19 2HE TYR 19 -1.486 7.737 -6.701 163 HH TYR 19 HH TYR 19 -1.133 5.745 -8.182 164 H DSG 20 H DAS 20 3.213 6.935 -0.621 165 HA DSG 20 HA DAS 20 2.882 9.344 0.951 166 HB2 DSG 20 1HB DAS 20 4.615 6.926 1.506 167 HB3 DSG 20 2HB DAS 20 4.559 8.357 2.524 168 HD21 DSG 20 1HD2 DAS 20 5.696 7.005 -0.395 169 HD22 DSG 20 2HD2 DAS 20 6.692 8.338 -0.875 170 H CYS 21 H CYS 21 0.807 9.281 1.645 171 HA CYS 21 HA CYS 21 0.431 7.686 4.013 172 HB2 CYS 21 2HB CYS 21 -0.251 10.036 4.098 173 HB3 CYS 21 1HB CYS 21 -1.372 9.770 2.769 174 H VAL 22 H VAL 22 0.202 5.638 3.322 175 HA VAL 22 HA VAL 22 -2.438 5.009 2.354 176 HB VAL 22 HB VAL 22 -1.547 3.124 0.953 177 HG11 VAL 22 1HG1 VAL 22 -0.721 5.858 0.042 178 HG12 VAL 22 2HG1 VAL 22 -2.319 5.142 -0.125 179 HG13 VAL 22 3HG1 VAL 22 -0.948 4.456 -1.004 180 HG21 VAL 22 1HG2 VAL 22 1.097 4.537 1.259 181 HG22 VAL 22 2HG2 VAL 22 0.756 3.213 0.140 182 HG23 VAL 22 3HG2 VAL 22 0.687 2.936 1.884 183 H ARG 23 H ARG 23 -3.183 3.105 3.162 184 HA ARG 23 HA ARG 23 -1.500 2.023 5.270 185 HB2 ARG 23 2HB ARG 23 -4.482 2.407 5.190 186 HB3 ARG 23 1HB ARG 23 -3.701 1.358 6.365 187 HG2 ARG 23 2HG ARG 23 -2.415 3.228 7.221 188 HG3 ARG 23 1HG ARG 23 -3.131 4.294 6.014 189 HD2 ARG 23 2HD ARG 23 -4.707 2.771 8.056 190 HD3 ARG 23 1HD ARG 23 -4.159 4.429 8.307 191 HE ARG 23 HE ARG 23 -5.415 4.805 6.121 192 HH11 ARG 23 1HH1 ARG 23 -6.442 2.555 8.662 193 HH12 ARG 23 2HH1 ARG 23 -8.096 2.715 8.310 194 HH21 ARG 23 1HH2 ARG 23 -7.718 5.049 5.703 195 HH22 ARG 23 2HH2 ARG 23 -8.842 4.176 6.622 196 H CYS 24 H CYS 24 -0.585 0.453 4.273 197 HA CYS 24 HA CYS 24 -2.194 -1.517 2.821 198 HB2 CYS 24 2HB CYS 24 -0.237 -0.441 1.659 199 HB3 CYS 24 1HB CYS 24 0.810 -1.110 2.898 200 H THR 25 H THR 25 -1.333 -3.829 3.229 201 HA THR 25 HA THR 25 -0.750 -4.014 6.054 202 HB THR 25 HB THR 25 -2.875 -5.044 5.625 203 HG1 THR 25 1HG THR 25 -0.760 -6.627 6.394 204 HG21 THR 25 1HG2 THR 25 -3.169 -6.948 4.074 205 HG22 THR 25 2HG2 THR 25 -1.511 -6.735 3.535 206 HG23 THR 25 3HG2 THR 25 -2.703 -5.467 3.232 207 H GLU 26 H GLU 26 1.329 -3.959 6.156 208 HA GLU 26 HA GLU 26 2.758 -6.252 5.161 209 HB2 GLU 26 2HB GLU 26 3.141 -4.426 3.512 210 HB3 GLU 26 1HB GLU 26 3.677 -3.369 4.798 211 HG2 GLU 26 2HG GLU 26 5.554 -4.236 3.536 212 HG3 GLU 26 1HG GLU 26 5.595 -4.829 5.195
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