NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
281708 | 2kht | 16254 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -1.436 -0.051 0.828 2 H2 ALA 1 HT2 ALA 1 -0.568 -0.712 2.131 3 H3 ALA 1 HT3 ALA 1 -2.162 -0.169 2.358 4 HA ALA 1 HA ALA 1 -1.819 -2.661 2.164 5 HB1 ALA 1 HB1 ALA 1 -3.880 -2.860 0.733 6 HB2 ALA 1 HB2 ALA 1 -3.737 -1.140 0.374 7 HB3 ALA 1 HB3 ALA 1 -4.032 -1.674 2.029 8 H CYS 2 HN CYS 2 -1.296 -4.362 0.798 9 HA CYS 2 HA CYS 2 0.119 -3.641 -1.691 10 HB2 CYS 2 HB2 CYS 2 0.332 -5.895 0.268 11 HB3 CYS 2 HB1 CYS 2 0.863 -6.158 -1.395 12 HG CYS 2 HG CYS 2 2.146 -4.135 0.595 13 H TYR 3 HN TYR 3 -0.407 -4.466 -3.612 14 HA TYR 3 HA TYR 3 -3.034 -5.738 -3.844 15 HB2 TYR 3 HB2 TYR 3 -1.181 -4.598 -5.955 16 HB3 TYR 3 HB1 TYR 3 -2.796 -5.243 -6.249 17 HD1 TYR 3 HD1 TYR 3 -0.870 -2.518 -4.673 18 HD2 TYR 3 HD2 TYR 3 -4.787 -4.025 -5.583 19 HE1 TYR 3 HE1 TYR 3 -1.853 -0.321 -4.077 20 HE2 TYR 3 HE2 TYR 3 -5.771 -1.827 -4.988 21 HH TYR 3 HH TYR 3 -4.185 0.917 -4.852 22 H CYS 4 HN CYS 4 -2.769 -7.083 -6.163 23 HA CYS 4 HA CYS 4 -1.352 -9.441 -5.275 24 HB2 CYS 4 HB2 CYS 4 -3.713 -9.178 -6.486 25 HB3 CYS 4 HB1 CYS 4 -2.704 -9.409 -7.916 26 HG CYS 4 HG CYS 4 -1.864 -11.691 -6.844 27 H ARG 5 HN ARG 5 -0.430 -10.703 -7.495 28 HA ARG 5 HA ARG 5 1.856 -9.022 -8.290 29 HB2 ARG 5 HB2 ARG 5 2.198 -11.365 -7.456 30 HB3 ARG 5 HB1 ARG 5 1.313 -11.936 -8.867 31 HG2 ARG 5 HG2 ARG 5 2.953 -10.973 -10.360 32 HG3 ARG 5 HG1 ARG 5 3.828 -10.270 -9.001 33 HD2 ARG 5 HD2 ARG 5 4.092 -12.594 -8.072 34 HD3 ARG 5 HD1 ARG 5 3.401 -13.208 -9.572 35 HE ARG 5 HE ARG 5 5.608 -11.434 -10.040 36 HH11 ARG 5 1HH2 ARG 5 4.713 -14.674 -9.182 37 HH12 ARG 5 2HH2 ARG 5 6.172 -15.377 -9.796 38 HH21 ARG 5 1HH1 ARG 5 7.513 -12.358 -10.838 39 HH22 ARG 5 2HH1 ARG 5 7.755 -14.070 -10.731 40 H ILE 6 HN ILE 6 1.544 -7.862 -10.021 41 HA ILE 6 HA ILE 6 0.449 -9.165 -12.400 42 HB ILE 6 HB ILE 6 -0.556 -6.847 -12.938 43 HG12 ILE 6 2HG1 ILE 6 0.670 -5.958 -10.727 44 HG13 ILE 6 1HG1 ILE 6 -0.874 -5.288 -11.242 45 HG21 ILE 6 1HG2 ILE 6 -1.649 -8.813 -10.925 46 HG22 ILE 6 2HG2 ILE 6 -2.029 -8.665 -12.638 47 HG23 ILE 6 3HG2 ILE 6 -2.618 -7.451 -11.506 48 HD11 ILE 6 3HD1 ILE 6 -2.077 -6.478 -9.619 49 HD12 ILE 6 1HD1 ILE 6 -0.609 -5.993 -8.761 50 HD13 ILE 6 2HD1 ILE 6 -0.779 -7.633 -9.373 51 HA PRO 7 HA PRO 7 4.267 -7.803 -14.262 52 HB2 PRO 7 HB2 PRO 7 2.463 -6.995 -16.511 53 HB3 PRO 7 HB1 PRO 7 3.934 -7.978 -16.552 54 HG2 PRO 7 HG2 PRO 7 1.464 -9.021 -16.741 55 HG3 PRO 7 HG1 PRO 7 2.816 -9.893 -15.996 56 HD2 PRO 7 HD2 PRO 7 0.435 -8.701 -14.710 57 HD3 PRO 7 HD1 PRO 7 1.561 -9.939 -14.102 58 H ALA 8 HN ALA 8 4.029 -6.000 -12.578 59 HA ALA 8 HA ALA 8 4.036 -3.396 -13.930 60 HB1 ALA 8 HB1 ALA 8 2.620 -3.763 -11.296 61 HB2 ALA 8 HB2 ALA 8 1.776 -3.860 -12.841 62 HB3 ALA 8 HB3 ALA 8 2.591 -2.367 -12.375 63 H CYS 9 HN CYS 9 4.375 -1.854 -11.654 64 HA CYS 9 HA CYS 9 7.131 -2.051 -11.209 65 HB2 CYS 9 HB2 CYS 9 6.781 -0.375 -9.463 66 HB3 CYS 9 HB1 CYS 9 5.805 0.012 -10.880 67 HG CYS 9 HG CYS 9 3.737 -0.318 -9.541 68 H ILE 10 HN ILE 10 7.038 -4.470 -10.738 69 HA ILE 10 HA ILE 10 6.187 -5.278 -8.107 70 HB ILE 10 HB ILE 10 7.820 -6.671 -10.242 71 HG12 ILE 10 2HG1 ILE 10 5.022 -7.277 -9.261 72 HG13 ILE 10 1HG1 ILE 10 5.321 -6.156 -10.583 73 HG21 ILE 10 1HG2 ILE 10 7.269 -8.723 -8.828 74 HG22 ILE 10 2HG2 ILE 10 6.829 -7.603 -7.538 75 HG23 ILE 10 3HG2 ILE 10 8.482 -7.638 -8.148 76 HD11 ILE 10 3HD1 ILE 10 6.378 -7.866 -11.904 77 HD12 ILE 10 1HD1 ILE 10 4.859 -8.535 -11.307 78 HD13 ILE 10 2HD1 ILE 10 6.383 -8.986 -10.542 79 H ALA 11 HN ALA 11 9.012 -3.908 -9.504 80 HA ALA 11 HA ALA 11 11.049 -4.860 -7.875 81 HB1 ALA 11 HB1 ALA 11 12.269 -2.878 -8.446 82 HB2 ALA 11 HB2 ALA 11 10.783 -1.988 -8.779 83 HB3 ALA 11 HB3 ALA 11 11.285 -3.299 -9.848 84 H GLY 12 HN GLY 12 12.125 -2.705 -6.512 85 HA2 GLY 12 HA2 GLY 12 12.010 -1.496 -4.546 86 HA3 GLY 12 HA1 GLY 12 10.254 -1.591 -4.640 87 H GLU 13 HN GLU 13 9.523 -4.064 -4.412 88 HA GLU 13 HA GLU 13 11.032 -5.409 -2.273 89 HB2 GLU 13 HB2 GLU 13 8.158 -4.491 -2.057 90 HB3 GLU 13 HB1 GLU 13 8.902 -5.660 -0.969 91 HG2 GLU 13 HG2 GLU 13 9.184 -3.645 0.190 92 HG3 GLU 13 HG1 GLU 13 10.730 -3.825 -0.628 93 H ARG 14 HN ARG 14 10.574 -7.599 -2.067 94 HA ARG 14 HA ARG 14 8.841 -8.777 -4.163 95 HB2 ARG 14 HB2 ARG 14 11.531 -9.805 -3.228 96 HB3 ARG 14 HB1 ARG 14 10.506 -10.544 -4.456 97 HG2 ARG 14 HG2 ARG 14 11.480 -7.694 -4.720 98 HG3 ARG 14 HG1 ARG 14 12.451 -9.051 -5.278 99 HD2 ARG 14 HD2 ARG 14 10.474 -9.792 -6.659 100 HD3 ARG 14 HD1 ARG 14 9.674 -8.288 -6.219 101 HE ARG 14 HE ARG 14 12.046 -7.428 -7.222 102 HH11 ARG 14 1HH2 ARG 14 9.621 -9.647 -8.296 103 HH12 ARG 14 2HH2 ARG 14 9.882 -9.338 -9.981 104 HH21 ARG 14 1HH1 ARG 14 12.400 -7.017 -9.427 105 HH22 ARG 14 2HH1 ARG 14 11.459 -7.847 -10.620 106 H ARG 15 HN ARG 15 7.239 -9.808 -3.243 107 HA ARG 15 HA ARG 15 7.345 -10.655 -0.490 108 HB2 ARG 15 HB2 ARG 15 5.269 -9.782 -1.744 109 HB3 ARG 15 HB1 ARG 15 5.195 -11.372 -2.483 110 HG2 ARG 15 HG2 ARG 15 3.839 -11.706 -0.626 111 HG3 ARG 15 HG1 ARG 15 5.395 -12.213 0.023 112 HD2 ARG 15 HD2 ARG 15 5.705 -9.871 0.902 113 HD3 ARG 15 HD1 ARG 15 4.067 -9.511 0.377 114 HE ARG 15 HE ARG 15 3.778 -11.736 1.938 115 HH11 ARG 15 1HH2 ARG 15 5.275 -8.637 2.288 116 HH12 ARG 15 2HH2 ARG 15 5.004 -8.545 3.996 117 HH21 ARG 15 1HH1 ARG 15 3.422 -11.626 4.173 118 HH22 ARG 15 2HH1 ARG 15 3.953 -10.240 5.065 119 H TYR 16 HN TYR 16 7.592 -12.694 0.294 120 HA TYR 16 HA TYR 16 8.633 -14.716 -1.524 121 HB2 TYR 16 HB2 TYR 16 8.262 -14.708 1.482 122 HB3 TYR 16 HB1 TYR 16 9.053 -15.991 0.566 123 HD1 TYR 16 HD2 TYR 16 9.284 -12.473 1.664 124 HD2 TYR 16 HD1 TYR 16 11.249 -15.673 -0.422 125 HE1 TYR 16 HE2 TYR 16 11.408 -11.193 1.702 126 HE2 TYR 16 HE1 TYR 16 13.373 -14.392 -0.384 127 HH TYR 16 HH TYR 16 14.308 -12.397 0.048 128 H GLY 17 HN GLY 17 5.843 -14.268 0.615 129 HA2 GLY 17 HA2 GLY 17 4.735 -16.864 0.162 130 HA3 GLY 17 HA1 GLY 17 3.892 -15.480 0.857 131 H THR 18 HN THR 18 2.819 -17.357 -1.059 132 HA THR 18 HA THR 18 2.275 -15.510 -3.314 133 HB THR 18 HB THR 18 2.062 -17.451 -4.780 134 HG1 THR 18 HG1 THR 18 1.826 -19.315 -3.885 135 HG21 THR 18 3HG2 THR 18 4.677 -17.525 -3.259 136 HG22 THR 18 1HG2 THR 18 4.263 -16.300 -4.459 137 HG23 THR 18 2HG2 THR 18 4.415 -17.990 -4.941 138 H CYS 19 HN CYS 19 0.149 -15.313 -3.941 139 HA CYS 19 HA CYS 19 -1.856 -16.545 -2.156 140 HB2 CYS 19 HB2 CYS 19 -3.266 -14.702 -2.590 141 HB3 CYS 19 HB1 CYS 19 -1.659 -13.998 -2.419 142 HG CYS 19 HG CYS 19 -3.334 -13.980 -4.968 143 H ILE 20 HN ILE 20 -2.977 -18.222 -2.920 144 HA ILE 20 HA ILE 20 -2.979 -18.712 -5.806 145 HB ILE 20 HB ILE 20 -4.322 -20.453 -3.754 146 HG12 ILE 20 2HG1 ILE 20 -2.138 -19.983 -2.800 147 HG13 ILE 20 1HG1 ILE 20 -2.117 -21.604 -3.488 148 HG21 ILE 20 1HG2 ILE 20 -4.548 -20.956 -6.171 149 HG22 ILE 20 2HG2 ILE 20 -3.645 -22.209 -5.321 150 HG23 ILE 20 3HG2 ILE 20 -2.791 -21.022 -6.308 151 HD11 ILE 20 3HD1 ILE 20 -0.938 -19.082 -4.675 152 HD12 ILE 20 1HD1 ILE 20 -1.127 -20.573 -5.597 153 HD13 ILE 20 2HD1 ILE 20 -0.081 -20.541 -4.180 154 H TYR 21 HN TYR 21 -4.415 -17.279 -6.701 155 HA TYR 21 HA TYR 21 -7.248 -17.792 -6.167 156 HB2 TYR 21 HB2 TYR 21 -6.776 -15.881 -4.730 157 HB3 TYR 21 HB1 TYR 21 -6.009 -15.027 -6.069 158 HD1 TYR 21 HD2 TYR 21 -9.239 -16.538 -4.958 159 HD2 TYR 21 HD1 TYR 21 -7.297 -13.756 -7.594 160 HE1 TYR 21 HE2 TYR 21 -11.451 -15.670 -5.673 161 HE2 TYR 21 HE1 TYR 21 -9.507 -12.889 -8.307 162 HH TYR 21 HH TYR 21 -12.103 -14.200 -8.238 163 H GLN 22 HN GLN 22 -7.777 -18.539 -8.112 164 HA GLN 22 HA GLN 22 -8.220 -18.579 -10.361 165 HB2 GLN 22 HB2 GLN 22 -8.904 -16.130 -9.722 166 HB3 GLN 22 HB1 GLN 22 -7.428 -15.677 -10.571 167 HG2 GLN 22 HG2 GLN 22 -9.209 -15.596 -12.185 168 HG3 GLN 22 HG1 GLN 22 -8.274 -17.047 -12.540 169 HE21 GLN 22 1HE2 GLN 22 -9.901 -18.458 -13.312 170 HE22 GLN 22 2HE2 GLN 22 -11.279 -18.882 -12.417 171 H GLY 23 HN GLY 23 -5.358 -18.594 -9.100 172 HA2 GLY 23 HA2 GLY 23 -3.361 -19.348 -10.047 173 HA3 GLY 23 HA1 GLY 23 -4.001 -18.975 -11.644 174 H ARG 24 HN ARG 24 -3.947 -16.711 -8.942 175 HA ARG 24 HA ARG 24 -1.794 -15.165 -10.268 176 HB2 ARG 24 HB2 ARG 24 -4.435 -14.143 -9.217 177 HB3 ARG 24 HB1 ARG 24 -3.073 -13.100 -9.628 178 HG2 ARG 24 HG2 ARG 24 -3.086 -13.996 -11.933 179 HG3 ARG 24 HG1 ARG 24 -4.459 -15.023 -11.521 180 HD2 ARG 24 HD2 ARG 24 -5.787 -13.009 -10.966 181 HD3 ARG 24 HD1 ARG 24 -4.420 -11.993 -11.422 182 HE ARG 24 HE ARG 24 -6.209 -13.412 -13.226 183 HH11 ARG 24 1HH2 ARG 24 -3.160 -11.848 -12.744 184 HH12 ARG 24 2HH2 ARG 24 -2.918 -11.499 -14.423 185 HH21 ARG 24 1HH1 ARG 24 -5.900 -12.956 -15.429 186 HH22 ARG 24 2HH1 ARG 24 -4.469 -12.126 -15.943 187 H LEU 25 HN LEU 25 -0.181 -14.854 -8.942 188 HA LEU 25 HA LEU 25 -0.481 -15.186 -6.065 189 HB2 LEU 25 HB2 LEU 25 2.104 -14.444 -7.388 190 HB3 LEU 25 HB1 LEU 25 1.826 -15.442 -5.961 191 HG LEU 25 HG LEU 25 1.265 -16.161 -8.844 192 HD11 LEU 25 1HD1 LEU 25 3.559 -16.473 -8.383 193 HD12 LEU 25 2HD1 LEU 25 2.849 -18.073 -8.173 194 HD13 LEU 25 3HD1 LEU 25 3.244 -17.093 -6.764 195 HD21 LEU 25 3HD2 LEU 25 -0.522 -17.232 -7.810 196 HD22 LEU 25 1HD2 LEU 25 0.318 -17.402 -6.273 197 HD23 LEU 25 2HD2 LEU 25 0.727 -18.461 -7.620 198 H TRP 26 HN TRP 26 0.701 -13.621 -4.630 199 HA TRP 26 HA TRP 26 0.183 -10.849 -5.525 200 HB2 TRP 26 HB2 TRP 26 -0.415 -10.205 -3.317 201 HB3 TRP 26 HB1 TRP 26 -1.269 -11.719 -3.624 202 HD1 TRP 26 HD1 TRP 26 0.794 -13.851 -3.055 203 HE1 TRP 26 HE1 TRP 26 1.865 -14.181 -0.745 204 HE3 TRP 26 HE3 TRP 26 -0.151 -9.298 -1.067 205 HZ2 TRP 26 HZ2 TRP 26 2.264 -12.684 1.651 206 HZ3 TRP 26 HZ3 TRP 26 0.574 -8.754 1.233 207 HH2 TRP 26 HH2 TRP 26 1.778 -10.441 2.598 208 H ALA 27 HN ALA 27 1.995 -9.895 -6.052 209 HA ALA 27 HA ALA 27 4.426 -10.474 -4.501 210 HB1 ALA 27 HB1 ALA 27 4.747 -10.544 -6.887 211 HB2 ALA 27 HB2 ALA 27 5.551 -9.104 -6.270 212 HB3 ALA 27 HB3 ALA 27 3.995 -8.962 -7.089 213 H PHE 28 HN PHE 28 5.723 -8.630 -3.756 214 HA PHE 28 HA PHE 28 4.034 -6.769 -2.369 215 HB2 PHE 28 HB2 PHE 28 6.372 -7.830 -1.740 216 HB3 PHE 28 HB1 PHE 28 7.009 -6.458 -2.618 217 HD1 PHE 28 HD2 PHE 28 5.823 -4.119 -1.988 218 HD2 PHE 28 HD1 PHE 28 6.025 -7.581 0.551 219 HE1 PHE 28 HE2 PHE 28 5.447 -2.687 0.007 220 HE2 PHE 28 HE1 PHE 28 5.650 -6.150 2.536 221 HZ PHE 28 HZ PHE 28 5.354 -3.705 2.265 222 H CYS 29 HN CYS 29 3.042 -5.337 -3.682 223 HA CYS 29 HA CYS 29 4.715 -3.649 -5.451 224 HB2 CYS 29 HB2 CYS 29 3.006 -5.251 -6.539 225 HB3 CYS 29 HB1 CYS 29 1.776 -4.171 -5.880 226 HG CYS 29 HG CYS 29 3.833 -3.409 -8.083 227 H CYS 30 HN CYS 30 4.809 -1.594 -4.793 228 HA CYS 30 HA CYS 30 2.477 -0.246 -3.703 229 HB2 CYS 30 HB2 CYS 30 5.012 -0.395 -2.055 230 HB3 CYS 30 HB1 CYS 30 3.516 0.439 -1.631 231 HG CYS 30 HG CYS 30 3.752 -2.086 -0.588 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -2.957 -0.762 -1.647 2 H2 ALA 1 HT2 ALA 1 -4.125 0.320 -1.054 3 H3 ALA 1 HT3 ALA 1 -2.578 0.882 -1.475 4 HA ALA 1 HA ALA 1 -4.686 1.081 -3.075 5 HB1 ALA 1 HB1 ALA 1 -3.081 1.446 -4.869 6 HB2 ALA 1 HB2 ALA 1 -1.854 0.525 -3.998 7 HB3 ALA 1 HB3 ALA 1 -2.411 2.073 -3.364 8 H CYS 2 HN CYS 2 -2.344 -1.605 -3.290 9 HA CYS 2 HA CYS 2 -4.432 -3.404 -4.206 10 HB2 CYS 2 HB2 CYS 2 -3.192 -4.012 -6.284 11 HB3 CYS 2 HB1 CYS 2 -3.839 -2.373 -6.322 12 HG CYS 2 HG CYS 2 -0.822 -3.060 -5.882 13 H TYR 3 HN TYR 3 -3.807 -5.607 -4.108 14 HA TYR 3 HA TYR 3 -1.094 -6.159 -3.087 15 HB2 TYR 3 HB2 TYR 3 -2.220 -7.724 -1.404 16 HB3 TYR 3 HB1 TYR 3 -2.309 -5.998 -1.059 17 HD1 TYR 3 HD2 TYR 3 -4.396 -4.726 -1.698 18 HD2 TYR 3 HD1 TYR 3 -4.182 -9.016 -1.790 19 HE1 TYR 3 HE2 TYR 3 -6.870 -4.850 -1.717 20 HE2 TYR 3 HE1 TYR 3 -6.656 -9.139 -1.816 21 HH TYR 3 HH TYR 3 -8.631 -6.293 -2.232 22 H CYS 4 HN CYS 4 -1.251 -6.784 -5.484 23 HA CYS 4 HA CYS 4 -1.399 -9.644 -5.543 24 HB2 CYS 4 HB2 CYS 4 -3.573 -8.115 -6.699 25 HB3 CYS 4 HB1 CYS 4 -2.764 -9.084 -7.929 26 HG CYS 4 HG CYS 4 -4.679 -10.239 -6.028 27 H ARG 5 HN ARG 5 -0.762 -10.406 -7.852 28 HA ARG 5 HA ARG 5 1.612 -8.811 -8.580 29 HB2 ARG 5 HB2 ARG 5 1.866 -11.220 -7.995 30 HB3 ARG 5 HB1 ARG 5 0.834 -11.617 -9.368 31 HG2 ARG 5 HG2 ARG 5 2.421 -10.614 -10.902 32 HG3 ARG 5 HG1 ARG 5 3.427 -10.092 -9.548 33 HD2 ARG 5 HD2 ARG 5 4.321 -12.170 -10.462 34 HD3 ARG 5 HD1 ARG 5 3.680 -12.452 -8.847 35 HE ARG 5 HE ARG 5 1.935 -13.711 -9.784 36 HH11 ARG 5 1HH2 ARG 5 3.826 -12.108 -12.193 37 HH12 ARG 5 2HH2 ARG 5 3.223 -13.067 -13.502 38 HH21 ARG 5 1HH1 ARG 5 1.123 -14.960 -11.493 39 HH22 ARG 5 2HH1 ARG 5 1.692 -14.688 -13.105 40 H ILE 6 HN ILE 6 1.327 -7.490 -10.153 41 HA ILE 6 HA ILE 6 -0.127 -8.354 -12.545 42 HB ILE 6 HB ILE 6 -0.526 -5.516 -12.226 43 HG12 ILE 6 2HG1 ILE 6 -1.951 -5.564 -10.164 44 HG13 ILE 6 1HG1 ILE 6 -1.350 -7.178 -9.819 45 HG21 ILE 6 1HG2 ILE 6 -2.016 -6.924 -13.516 46 HG22 ILE 6 2HG2 ILE 6 -2.937 -6.241 -12.178 47 HG23 ILE 6 3HG2 ILE 6 -2.381 -7.911 -12.100 48 HD11 ILE 6 3HD1 ILE 6 0.799 -5.204 -10.298 49 HD12 ILE 6 1HD1 ILE 6 0.612 -6.378 -8.999 50 HD13 ILE 6 2HD1 ILE 6 -0.216 -4.838 -8.907 51 HA PRO 7 HA PRO 7 3.800 -7.170 -14.233 52 HB2 PRO 7 HB2 PRO 7 2.185 -6.125 -16.525 53 HB3 PRO 7 HB1 PRO 7 3.590 -7.205 -16.539 54 HG2 PRO 7 HG2 PRO 7 1.085 -8.097 -16.943 55 HG3 PRO 7 HG1 PRO 7 2.323 -9.074 -16.130 56 HD2 PRO 7 HD2 PRO 7 -0.055 -7.718 -14.964 57 HD3 PRO 7 HD1 PRO 7 0.872 -9.123 -14.368 58 H ALA 8 HN ALA 8 3.963 -5.532 -12.583 59 HA ALA 8 HA ALA 8 3.869 -2.809 -13.620 60 HB1 ALA 8 HB1 ALA 8 1.663 -3.299 -12.391 61 HB2 ALA 8 HB2 ALA 8 2.577 -1.886 -11.864 62 HB3 ALA 8 HB3 ALA 8 2.638 -3.375 -10.922 63 H CYS 9 HN CYS 9 4.473 -1.506 -11.247 64 HA CYS 9 HA CYS 9 7.235 -1.857 -11.016 65 HB2 CYS 9 HB2 CYS 9 7.061 -0.418 -9.040 66 HB3 CYS 9 HB1 CYS 9 6.017 0.182 -10.331 67 HG CYS 9 HG CYS 9 5.010 -0.510 -7.652 68 H ILE 10 HN ILE 10 7.049 -4.347 -10.820 69 HA ILE 10 HA ILE 10 6.314 -5.484 -8.316 70 HB ILE 10 HB ILE 10 8.014 -6.491 -10.608 71 HG12 ILE 10 2HG1 ILE 10 5.415 -6.089 -10.746 72 HG13 ILE 10 1HG1 ILE 10 6.093 -7.583 -11.373 73 HG21 ILE 10 1HG2 ILE 10 7.234 -7.823 -8.017 74 HG22 ILE 10 2HG2 ILE 10 8.821 -7.750 -8.785 75 HG23 ILE 10 3HG2 ILE 10 7.554 -8.766 -9.473 76 HD11 ILE 10 3HD1 ILE 10 4.014 -7.754 -9.854 77 HD12 ILE 10 1HD1 ILE 10 5.115 -7.396 -8.525 78 HD13 ILE 10 2HD1 ILE 10 5.367 -8.830 -9.508 79 H ALA 11 HN ALA 11 9.170 -3.947 -9.529 80 HA ALA 11 HA ALA 11 11.000 -5.012 -7.589 81 HB1 ALA 11 HB1 ALA 11 12.565 -3.417 -8.437 82 HB2 ALA 11 HB2 ALA 11 11.278 -2.418 -9.115 83 HB3 ALA 11 HB3 ALA 11 11.638 -3.993 -9.821 84 H GLY 12 HN GLY 12 12.208 -3.416 -6.128 85 HA2 GLY 12 HA2 GLY 12 12.185 -1.594 -4.615 86 HA3 GLY 12 HA1 GLY 12 10.468 -1.366 -4.935 87 H GLU 13 HN GLU 13 10.293 -4.451 -4.680 88 HA GLU 13 HA GLU 13 10.812 -4.948 -1.888 89 HB2 GLU 13 HB2 GLU 13 8.725 -3.508 -1.902 90 HB3 GLU 13 HB1 GLU 13 7.916 -4.828 -2.747 91 HG2 GLU 13 HG2 GLU 13 8.376 -6.347 -0.898 92 HG3 GLU 13 HG1 GLU 13 9.318 -5.108 -0.076 93 H ARG 14 HN ARG 14 10.148 -7.162 -1.261 94 HA ARG 14 HA ARG 14 10.202 -8.973 -3.601 95 HB2 ARG 14 HB2 ARG 14 10.846 -9.540 -0.698 96 HB3 ARG 14 HB1 ARG 14 11.056 -10.654 -2.044 97 HG2 ARG 14 HG2 ARG 14 12.401 -7.955 -2.044 98 HG3 ARG 14 HG1 ARG 14 13.129 -9.325 -1.213 99 HD2 ARG 14 HD2 ARG 14 13.017 -10.627 -3.342 100 HD3 ARG 14 HD1 ARG 14 12.405 -9.198 -4.158 101 HE ARG 14 HE ARG 14 15.140 -9.618 -3.201 102 HH11 ARG 14 1HH2 ARG 14 12.733 -7.478 -4.473 103 HH12 ARG 14 2HH2 ARG 14 13.877 -6.337 -5.091 104 HH21 ARG 14 1HH1 ARG 14 16.646 -8.122 -4.015 105 HH22 ARG 14 2HH1 ARG 14 16.090 -6.700 -4.833 106 H ARG 15 HN ARG 15 8.960 -10.912 -3.561 107 HA ARG 15 HA ARG 15 6.270 -10.501 -2.540 108 HB2 ARG 15 HB2 ARG 15 5.774 -12.569 -3.821 109 HB3 ARG 15 HB1 ARG 15 6.584 -11.349 -4.808 110 HG2 ARG 15 HG2 ARG 15 8.744 -12.487 -4.417 111 HG3 ARG 15 HG1 ARG 15 7.905 -13.730 -3.487 112 HD2 ARG 15 HD2 ARG 15 7.273 -13.039 -6.367 113 HD3 ARG 15 HD1 ARG 15 8.303 -14.381 -5.875 114 HE ARG 15 HE ARG 15 5.428 -14.300 -5.765 115 HH11 ARG 15 1HH2 ARG 15 8.310 -15.544 -4.318 116 HH12 ARG 15 2HH2 ARG 15 7.548 -16.966 -3.688 117 HH21 ARG 15 1HH1 ARG 15 4.414 -16.158 -4.937 118 HH22 ARG 15 2HH1 ARG 15 5.340 -17.315 -4.040 119 H TYR 16 HN TYR 16 5.261 -11.674 -0.950 120 HA TYR 16 HA TYR 16 6.637 -13.955 0.284 121 HB2 TYR 16 HB2 TYR 16 7.493 -12.064 1.558 122 HB3 TYR 16 HB1 TYR 16 5.857 -11.456 1.809 123 HD1 TYR 16 HD1 TYR 16 7.975 -14.497 2.373 124 HD2 TYR 16 HD2 TYR 16 4.634 -12.145 3.705 125 HE1 TYR 16 HE1 TYR 16 7.750 -15.945 4.375 126 HE2 TYR 16 HE2 TYR 16 4.407 -13.594 5.701 127 HH TYR 16 HH TYR 16 6.317 -16.525 6.071 128 H GLY 17 HN GLY 17 4.200 -12.151 1.975 129 HA2 GLY 17 HA2 GLY 17 2.432 -14.341 2.195 130 HA3 GLY 17 HA1 GLY 17 2.019 -12.657 2.531 131 H THR 18 HN THR 18 2.438 -14.984 -0.121 132 HA THR 18 HA THR 18 1.109 -13.282 -2.018 133 HB THR 18 HB THR 18 1.339 -15.165 -3.554 134 HG1 THR 18 HG1 THR 18 1.082 -16.964 -2.446 135 HG21 THR 18 3HG2 THR 18 3.391 -13.661 -2.549 136 HG22 THR 18 1HG2 THR 18 3.604 -14.854 -3.830 137 HG23 THR 18 2HG2 THR 18 3.958 -15.284 -2.164 138 H CYS 19 HN CYS 19 -0.804 -14.054 -3.267 139 HA CYS 19 HA CYS 19 -2.765 -15.444 -1.523 140 HB2 CYS 19 HB2 CYS 19 -4.479 -13.998 -2.284 141 HB3 CYS 19 HB1 CYS 19 -3.124 -12.939 -1.912 142 HG CYS 19 HG CYS 19 -3.793 -12.170 -4.249 143 H ILE 20 HN ILE 20 -3.587 -17.281 -2.338 144 HA ILE 20 HA ILE 20 -2.943 -18.030 -5.088 145 HB ILE 20 HB ILE 20 -4.442 -19.605 -2.973 146 HG12 ILE 20 2HG1 ILE 20 -2.065 -20.865 -3.144 147 HG13 ILE 20 1HG1 ILE 20 -1.512 -19.250 -3.575 148 HG21 ILE 20 1HG2 ILE 20 -3.301 -20.268 -5.693 149 HG22 ILE 20 2HG2 ILE 20 -4.958 -20.482 -5.125 150 HG23 ILE 20 3HG2 ILE 20 -3.669 -21.510 -4.497 151 HD11 ILE 20 3HD1 ILE 20 -3.110 -19.929 -1.085 152 HD12 ILE 20 1HD1 ILE 20 -2.436 -18.351 -1.488 153 HD13 ILE 20 2HD1 ILE 20 -1.364 -19.699 -1.126 154 H TYR 21 HN TYR 21 -4.232 -16.874 -6.436 155 HA TYR 21 HA TYR 21 -7.083 -17.570 -6.443 156 HB2 TYR 21 HB2 TYR 21 -5.978 -14.763 -6.316 157 HB3 TYR 21 HB1 TYR 21 -7.596 -15.120 -6.921 158 HD1 TYR 21 HD1 TYR 21 -5.363 -15.403 -3.958 159 HD2 TYR 21 HD2 TYR 21 -9.384 -15.666 -5.441 160 HE1 TYR 21 HE1 TYR 21 -6.212 -15.523 -1.631 161 HE2 TYR 21 HE2 TYR 21 -10.235 -15.785 -3.115 162 HH TYR 21 HH TYR 21 -8.559 -16.606 -0.588 163 H GLN 22 HN GLN 22 -7.977 -17.624 -8.491 164 HA GLN 22 HA GLN 22 -7.927 -17.949 -10.773 165 HB2 GLN 22 HB2 GLN 22 -6.377 -15.362 -10.517 166 HB3 GLN 22 HB1 GLN 22 -6.949 -16.016 -12.051 167 HG2 GLN 22 HG2 GLN 22 -8.747 -15.410 -9.687 168 HG3 GLN 22 HG1 GLN 22 -8.502 -14.318 -11.048 169 HE21 GLN 22 1HE2 GLN 22 -10.724 -16.455 -9.955 170 HE22 GLN 22 2HE2 GLN 22 -11.310 -17.063 -11.426 171 H GLY 23 HN GLY 23 -5.519 -18.811 -9.000 172 HA2 GLY 23 HA2 GLY 23 -3.716 -20.198 -9.433 173 HA3 GLY 23 HA1 GLY 23 -4.029 -20.002 -11.154 174 H ARG 24 HN ARG 24 -3.656 -17.206 -9.117 175 HA ARG 24 HA ARG 24 -0.918 -16.752 -10.173 176 HB2 ARG 24 HB2 ARG 24 -3.228 -14.799 -10.011 177 HB3 ARG 24 HB1 ARG 24 -1.561 -14.328 -10.338 178 HG2 ARG 24 HG2 ARG 24 -1.526 -15.774 -12.325 179 HG3 ARG 24 HG1 ARG 24 -3.180 -16.288 -11.992 180 HD2 ARG 24 HD2 ARG 24 -3.945 -13.951 -12.222 181 HD3 ARG 24 HD1 ARG 24 -2.295 -13.450 -12.578 182 HE ARG 24 HE ARG 24 -2.975 -15.483 -14.388 183 HH11 ARG 24 1HH2 ARG 24 -3.897 -12.263 -13.529 184 HH12 ARG 24 2HH2 ARG 24 -4.426 -11.840 -15.123 185 HH21 ARG 24 1HH1 ARG 24 -3.667 -14.941 -16.481 186 HH22 ARG 24 2HH1 ARG 24 -4.296 -13.358 -16.796 187 H LEU 25 HN LEU 25 0.535 -15.863 -8.791 188 HA LEU 25 HA LEU 25 -0.192 -15.740 -5.956 189 HB2 LEU 25 HB2 LEU 25 2.482 -15.528 -7.367 190 HB3 LEU 25 HB1 LEU 25 2.274 -15.501 -5.626 191 HG LEU 25 HG LEU 25 2.910 -17.746 -6.381 192 HD11 LEU 25 1HD1 LEU 25 1.118 -17.280 -4.519 193 HD12 LEU 25 2HD1 LEU 25 1.396 -18.925 -5.074 194 HD13 LEU 25 3HD1 LEU 25 0.005 -18.021 -5.666 195 HD21 LEU 25 3HD2 LEU 25 1.628 -17.308 -8.669 196 HD22 LEU 25 1HD2 LEU 25 0.296 -18.094 -7.822 197 HD23 LEU 25 2HD2 LEU 25 1.825 -18.941 -8.045 198 H TRP 26 HN TRP 26 0.461 -13.933 -4.610 199 HA TRP 26 HA TRP 26 0.214 -11.324 -5.998 200 HB2 TRP 26 HB2 TRP 26 -1.469 -11.425 -4.364 201 HB3 TRP 26 HB1 TRP 26 -0.492 -12.324 -3.261 202 HD1 TRP 26 HD1 TRP 26 0.702 -9.044 -4.818 203 HE1 TRP 26 HE1 TRP 26 1.003 -7.299 -2.932 204 HE3 TRP 26 HE3 TRP 26 -1.213 -11.668 -0.894 205 HZ2 TRP 26 HZ2 TRP 26 0.483 -7.062 -0.123 206 HZ3 TRP 26 HZ3 TRP 26 -1.314 -10.664 1.370 207 HH2 TRP 26 HH2 TRP 26 -0.469 -8.368 1.760 208 H ALA 27 HN ALA 27 2.148 -10.337 -6.363 209 HA ALA 27 HA ALA 27 4.383 -10.879 -4.539 210 HB1 ALA 27 HB1 ALA 27 4.184 -9.427 -7.179 211 HB2 ALA 27 HB2 ALA 27 5.149 -10.849 -6.788 212 HB3 ALA 27 HB3 ALA 27 5.605 -9.272 -6.147 213 H PHE 28 HN PHE 28 5.429 -9.095 -3.394 214 HA PHE 28 HA PHE 28 3.435 -7.247 -2.434 215 HB2 PHE 28 HB2 PHE 28 5.530 -8.387 -1.253 216 HB3 PHE 28 HB1 PHE 28 6.343 -6.933 -1.804 217 HD1 PHE 28 HD2 PHE 28 4.565 -4.749 -1.484 218 HD2 PHE 28 HD1 PHE 28 4.890 -8.251 0.988 219 HE1 PHE 28 HE2 PHE 28 3.634 -3.487 0.428 220 HE2 PHE 28 HE1 PHE 28 3.960 -6.982 2.904 221 HZ PHE 28 HZ PHE 28 3.336 -4.599 2.627 222 H CYS 29 HN CYS 29 2.797 -5.805 -3.859 223 HA CYS 29 HA CYS 29 4.767 -4.227 -5.398 224 HB2 CYS 29 HB2 CYS 29 2.917 -5.530 -6.588 225 HB3 CYS 29 HB1 CYS 29 1.789 -4.374 -5.878 226 HG CYS 29 HG CYS 29 4.141 -3.446 -7.735 227 H CYS 30 HN CYS 30 4.489 -1.939 -5.534 228 HA CYS 30 HA CYS 30 3.969 0.167 -4.765 229 HB2 CYS 30 HB2 CYS 30 1.841 -0.915 -2.938 230 HB3 CYS 30 HB1 CYS 30 1.875 0.596 -3.847 231 HG CYS 30 HG CYS 30 1.088 -2.172 -4.998 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -0.665 0.097 1.530 2 H2 ALA 1 HT2 ALA 1 -2.292 0.071 1.043 3 H3 ALA 1 HT3 ALA 1 -1.061 -0.250 -0.082 4 HA ALA 1 HA ALA 1 -0.991 -1.986 2.209 5 HB1 ALA 1 HB1 ALA 1 -3.375 -1.867 2.154 6 HB2 ALA 1 HB2 ALA 1 -2.953 -3.333 1.270 7 HB3 ALA 1 HB3 ALA 1 -3.406 -1.872 0.391 8 H CYS 2 HN CYS 2 -0.900 -4.293 1.257 9 HA CYS 2 HA CYS 2 0.814 -4.199 -1.146 10 HB2 CYS 2 HB2 CYS 2 1.594 -5.236 1.057 11 HB3 CYS 2 HB1 CYS 2 0.455 -6.538 0.722 12 HG CYS 2 HG CYS 2 3.082 -6.021 -0.791 13 H TYR 3 HN TYR 3 0.072 -4.890 -3.012 14 HA TYR 3 HA TYR 3 -2.392 -6.525 -3.085 15 HB2 TYR 3 HB2 TYR 3 -2.322 -4.325 -4.328 16 HB3 TYR 3 HB1 TYR 3 -1.080 -5.030 -5.366 17 HD1 TYR 3 HD2 TYR 3 -4.522 -5.690 -4.046 18 HD2 TYR 3 HD1 TYR 3 -1.716 -6.315 -7.239 19 HE1 TYR 3 HE2 TYR 3 -6.284 -6.821 -5.375 20 HE2 TYR 3 HE1 TYR 3 -3.480 -7.448 -8.566 21 HH TYR 3 HH TYR 3 -6.717 -8.017 -7.210 22 H CYS 4 HN CYS 4 -2.470 -8.364 -4.431 23 HA CYS 4 HA CYS 4 0.097 -9.743 -4.651 24 HB2 CYS 4 HB2 CYS 4 -2.541 -10.930 -5.464 25 HB3 CYS 4 HB1 CYS 4 -1.140 -11.717 -4.737 26 HG CYS 4 HG CYS 4 -3.115 -11.310 -2.956 27 H ARG 5 HN ARG 5 0.800 -10.749 -6.633 28 HA ARG 5 HA ARG 5 -0.393 -9.641 -9.104 29 HB2 ARG 5 HB2 ARG 5 1.833 -8.543 -8.004 30 HB3 ARG 5 HB1 ARG 5 2.583 -9.769 -9.023 31 HG2 ARG 5 HG2 ARG 5 2.429 -7.975 -10.513 32 HG3 ARG 5 HG1 ARG 5 0.927 -8.826 -10.859 33 HD2 ARG 5 HD2 ARG 5 -0.267 -7.324 -9.276 34 HD3 ARG 5 HD1 ARG 5 1.237 -6.450 -9.002 35 HE ARG 5 HE ARG 5 0.777 -6.481 -11.763 36 HH11 ARG 5 1HH2 ARG 5 -0.660 -5.277 -8.853 37 HH12 ARG 5 2HH2 ARG 5 -1.390 -3.905 -9.619 38 HH21 ARG 5 1HH1 ARG 5 -0.177 -4.683 -12.772 39 HH22 ARG 5 2HH1 ARG 5 -1.116 -3.569 -11.836 40 H ILE 6 HN ILE 6 0.748 -10.543 -11.023 41 HA ILE 6 HA ILE 6 0.953 -13.456 -10.747 42 HB ILE 6 HB ILE 6 0.850 -13.170 -13.357 43 HG12 ILE 6 2HG1 ILE 6 -0.579 -10.624 -12.606 44 HG13 ILE 6 1HG1 ILE 6 1.154 -10.594 -12.940 45 HG21 ILE 6 1HG2 ILE 6 -1.539 -12.565 -11.590 46 HG22 ILE 6 2HG2 ILE 6 -0.956 -14.171 -12.025 47 HG23 ILE 6 3HG2 ILE 6 -1.625 -13.111 -13.264 48 HD11 ILE 6 3HD1 ILE 6 0.838 -11.460 -15.140 49 HD12 ILE 6 1HD1 ILE 6 -0.326 -10.151 -14.935 50 HD13 ILE 6 2HD1 ILE 6 -0.857 -11.828 -14.819 51 HA PRO 7 HA PRO 7 5.325 -13.464 -11.335 52 HB2 PRO 7 HB2 PRO 7 4.909 -14.772 -13.990 53 HB3 PRO 7 HB1 PRO 7 6.031 -15.208 -12.682 54 HG2 PRO 7 HG2 PRO 7 3.834 -16.582 -12.970 55 HG3 PRO 7 HG1 PRO 7 4.325 -16.067 -11.344 56 HD2 PRO 7 HD2 PRO 7 2.186 -14.938 -13.112 57 HD3 PRO 7 HD1 PRO 7 2.177 -15.193 -11.354 58 H ALA 8 HN ALA 8 5.019 -11.148 -11.577 59 HA ALA 8 HA ALA 8 6.640 -10.126 -13.641 60 HB1 ALA 8 HB1 ALA 8 4.597 -10.467 -14.979 61 HB2 ALA 8 HB2 ALA 8 4.972 -8.756 -14.798 62 HB3 ALA 8 HB3 ALA 8 3.688 -9.490 -13.831 63 H CYS 9 HN CYS 9 7.724 -8.757 -12.282 64 HA CYS 9 HA CYS 9 6.390 -7.497 -10.080 65 HB2 CYS 9 HB2 CYS 9 9.114 -7.136 -11.320 66 HB3 CYS 9 HB1 CYS 9 8.545 -6.119 -9.996 67 HG CYS 9 HG CYS 9 8.387 -8.212 -8.474 68 H ILE 10 HN ILE 10 4.653 -6.827 -11.523 69 HA ILE 10 HA ILE 10 4.970 -4.802 -13.449 70 HB ILE 10 HB ILE 10 2.589 -5.718 -11.819 71 HG12 ILE 10 2HG1 ILE 10 3.150 -6.143 -14.762 72 HG13 ILE 10 1HG1 ILE 10 3.827 -7.216 -13.545 73 HG21 ILE 10 1HG2 ILE 10 2.010 -3.516 -12.497 74 HG22 ILE 10 2HG2 ILE 10 1.334 -4.550 -13.757 75 HG23 ILE 10 3HG2 ILE 10 2.844 -3.684 -14.042 76 HD11 ILE 10 3HD1 ILE 10 1.719 -7.993 -12.867 77 HD12 ILE 10 1HD1 ILE 10 1.544 -7.850 -14.614 78 HD13 ILE 10 2HD1 ILE 10 0.880 -6.605 -13.557 79 H ALA 11 HN ALA 11 4.170 -4.736 -9.995 80 HA ALA 11 HA ALA 11 4.047 -1.825 -9.963 81 HB1 ALA 11 HB1 ALA 11 2.594 -3.341 -8.540 82 HB2 ALA 11 HB2 ALA 11 3.422 -2.041 -7.681 83 HB3 ALA 11 HB3 ALA 11 4.043 -3.691 -7.595 84 H GLY 12 HN GLY 12 6.216 -4.413 -8.873 85 HA2 GLY 12 HA2 GLY 12 8.626 -3.998 -9.015 86 HA3 GLY 12 HA1 GLY 12 8.331 -2.375 -8.410 87 H GLU 13 HN GLU 13 8.198 -5.810 -7.534 88 HA GLU 13 HA GLU 13 9.279 -5.269 -4.928 89 HB2 GLU 13 HB2 GLU 13 6.375 -5.489 -5.234 90 HB3 GLU 13 HB1 GLU 13 6.993 -6.736 -4.156 91 HG2 GLU 13 HG2 GLU 13 7.599 -3.780 -3.879 92 HG3 GLU 13 HG1 GLU 13 6.376 -4.646 -2.957 93 H ARG 14 HN ARG 14 9.035 -7.480 -3.594 94 HA ARG 14 HA ARG 14 10.005 -9.598 -5.419 95 HB2 ARG 14 HB2 ARG 14 10.428 -9.098 -2.468 96 HB3 ARG 14 HB1 ARG 14 10.964 -10.560 -3.299 97 HG2 ARG 14 HG2 ARG 14 12.330 -9.206 -4.830 98 HG3 ARG 14 HG1 ARG 14 11.774 -7.731 -4.037 99 HD2 ARG 14 HD2 ARG 14 12.760 -8.507 -1.910 100 HD3 ARG 14 HD1 ARG 14 13.329 -9.969 -2.709 101 HE ARG 14 HE ARG 14 14.442 -7.285 -2.986 102 HH11 ARG 14 1HH2 ARG 14 14.231 -10.534 -4.166 103 HH12 ARG 14 2HH2 ARG 14 15.735 -10.465 -5.022 104 HH21 ARG 14 1HH1 ARG 14 16.414 -7.192 -4.106 105 HH22 ARG 14 2HH1 ARG 14 16.969 -8.575 -4.989 106 H ARG 15 HN ARG 15 9.012 -11.532 -5.541 107 HA ARG 15 HA ARG 15 6.374 -11.825 -4.431 108 HB2 ARG 15 HB2 ARG 15 6.465 -14.059 -5.556 109 HB3 ARG 15 HB1 ARG 15 6.806 -12.705 -6.635 110 HG2 ARG 15 HG2 ARG 15 9.238 -13.113 -6.340 111 HG3 ARG 15 HG1 ARG 15 8.865 -14.501 -5.318 112 HD2 ARG 15 HD2 ARG 15 7.632 -15.541 -7.181 113 HD3 ARG 15 HD1 ARG 15 8.031 -14.167 -8.209 114 HE ARG 15 HE ARG 15 9.838 -16.300 -7.373 115 HH11 ARG 15 1HH2 ARG 15 9.432 -13.130 -8.704 116 HH12 ARG 15 2HH2 ARG 15 10.967 -13.119 -9.504 117 HH21 ARG 15 1HH1 ARG 15 11.854 -16.291 -8.425 118 HH22 ARG 15 2HH1 ARG 15 12.338 -14.907 -9.348 119 H TYR 16 HN TYR 16 5.771 -12.891 -2.639 120 HA TYR 16 HA TYR 16 7.524 -14.869 -1.393 121 HB2 TYR 16 HB2 TYR 16 6.818 -12.208 -0.165 122 HB3 TYR 16 HB1 TYR 16 7.068 -13.618 0.865 123 HD1 TYR 16 HD2 TYR 16 9.236 -15.051 0.256 124 HD2 TYR 16 HD1 TYR 16 8.694 -10.894 -0.683 125 HE1 TYR 16 HE2 TYR 16 11.693 -14.770 0.082 126 HE2 TYR 16 HE1 TYR 16 11.153 -10.615 -0.854 127 HH TYR 16 HH TYR 16 13.360 -13.081 0.166 128 H GLY 17 HN GLY 17 5.196 -13.344 0.595 129 HA2 GLY 17 HA2 GLY 17 3.608 -15.722 0.775 130 HA3 GLY 17 HA1 GLY 17 3.271 -14.180 1.560 131 H THR 18 HN THR 18 3.326 -15.581 -1.721 132 HA THR 18 HA THR 18 1.319 -13.734 -2.666 133 HB THR 18 HB THR 18 3.193 -14.720 -4.081 134 HG1 THR 18 HG1 THR 18 0.591 -14.313 -4.634 135 HG21 THR 18 3HG2 THR 18 3.068 -16.933 -4.856 136 HG22 THR 18 1HG2 THR 18 1.382 -17.105 -4.368 137 HG23 THR 18 2HG2 THR 18 2.657 -17.090 -3.150 138 H CYS 19 HN CYS 19 -0.670 -14.516 -3.730 139 HA CYS 19 HA CYS 19 -2.012 -16.546 -2.052 140 HB2 CYS 19 HB2 CYS 19 -3.468 -14.738 -3.959 141 HB3 CYS 19 HB1 CYS 19 -4.000 -15.392 -2.411 142 HG CYS 19 HG CYS 19 -1.754 -13.222 -2.471 143 H ILE 20 HN ILE 20 -3.370 -18.132 -3.066 144 HA ILE 20 HA ILE 20 -2.356 -18.962 -5.704 145 HB ILE 20 HB ILE 20 -4.187 -20.512 -3.874 146 HG12 ILE 20 2HG1 ILE 20 -2.243 -19.934 -2.548 147 HG13 ILE 20 1HG1 ILE 20 -2.072 -21.611 -3.063 148 HG21 ILE 20 1HG2 ILE 20 -3.971 -21.319 -6.190 149 HG22 ILE 20 2HG2 ILE 20 -3.192 -22.433 -5.067 150 HG23 ILE 20 3HG2 ILE 20 -2.215 -21.324 -6.031 151 HD11 ILE 20 3HD1 ILE 20 -0.644 -19.171 -4.121 152 HD12 ILE 20 1HD1 ILE 20 -0.730 -20.660 -5.062 153 HD13 ILE 20 2HD1 ILE 20 0.053 -20.658 -3.484 154 H TYR 21 HN TYR 21 -3.459 -18.359 -7.430 155 HA TYR 21 HA TYR 21 -6.423 -18.206 -7.290 156 HB2 TYR 21 HB2 TYR 21 -4.435 -16.427 -8.707 157 HB3 TYR 21 HB1 TYR 21 -6.124 -16.508 -9.204 158 HD1 TYR 21 HD1 TYR 21 -7.857 -16.375 -7.147 159 HD2 TYR 21 HD2 TYR 21 -3.869 -14.773 -7.144 160 HE1 TYR 21 HE1 TYR 21 -8.490 -14.794 -5.345 161 HE2 TYR 21 HE2 TYR 21 -4.509 -13.189 -5.348 162 HH TYR 21 HH TYR 21 -7.679 -13.355 -3.796 163 H GLN 22 HN GLN 22 -7.519 -19.377 -8.748 164 HA GLN 22 HA GLN 22 -7.908 -20.957 -10.375 165 HB2 GLN 22 HB2 GLN 22 -5.833 -19.267 -11.795 166 HB3 GLN 22 HB1 GLN 22 -6.867 -20.461 -12.578 167 HG2 GLN 22 HG2 GLN 22 -7.886 -18.073 -11.012 168 HG3 GLN 22 HG1 GLN 22 -7.755 -18.132 -12.767 169 HE21 GLN 22 1HE2 GLN 22 -10.049 -18.368 -10.456 170 HE22 GLN 22 2HE2 GLN 22 -11.088 -19.504 -11.170 171 H GLY 23 HN GLY 23 -5.405 -21.149 -8.496 172 HA2 GLY 23 HA2 GLY 23 -4.055 -22.985 -8.014 173 HA3 GLY 23 HA1 GLY 23 -4.518 -23.698 -9.555 174 H ARG 24 HN ARG 24 -3.635 -20.557 -10.100 175 HA ARG 24 HA ARG 24 -1.026 -21.352 -11.173 176 HB2 ARG 24 HB2 ARG 24 -2.761 -20.055 -12.517 177 HB3 ARG 24 HB1 ARG 24 -2.429 -18.689 -11.458 178 HG2 ARG 24 HG2 ARG 24 -0.941 -18.259 -13.204 179 HG3 ARG 24 HG1 ARG 24 0.093 -19.164 -12.102 180 HD2 ARG 24 HD2 ARG 24 -0.329 -21.227 -13.365 181 HD3 ARG 24 HD1 ARG 24 -1.444 -20.372 -14.424 182 HE ARG 24 HE ARG 24 0.903 -18.972 -14.647 183 HH11 ARG 24 1HH2 ARG 24 -0.069 -22.277 -14.966 184 HH12 ARG 24 2HH2 ARG 24 1.123 -22.658 -16.164 185 HH21 ARG 24 1HH1 ARG 24 2.470 -19.463 -16.219 186 HH22 ARG 24 2HH1 ARG 24 2.561 -21.064 -16.873 187 H LEU 25 HN LEU 25 0.914 -20.346 -10.591 188 HA LEU 25 HA LEU 25 1.010 -19.340 -7.893 189 HB2 LEU 25 HB2 LEU 25 3.079 -19.839 -10.026 190 HB3 LEU 25 HB1 LEU 25 3.504 -19.029 -8.522 191 HG LEU 25 HG LEU 25 3.871 -21.529 -8.506 192 HD11 LEU 25 1HD1 LEU 25 3.333 -21.720 -6.265 193 HD12 LEU 25 2HD1 LEU 25 1.747 -20.981 -6.454 194 HD13 LEU 25 3HD1 LEU 25 3.194 -19.974 -6.442 195 HD21 LEU 25 3HD2 LEU 25 2.022 -23.029 -8.524 196 HD22 LEU 25 1HD2 LEU 25 1.738 -21.929 -9.873 197 HD23 LEU 25 2HD2 LEU 25 0.856 -21.716 -8.361 198 H TRP 26 HN TRP 26 1.239 -17.309 -7.200 199 HA TRP 26 HA TRP 26 1.236 -15.134 -9.215 200 HB2 TRP 26 HB2 TRP 26 -0.132 -15.533 -6.594 201 HB3 TRP 26 HB1 TRP 26 0.375 -13.891 -6.960 202 HD1 TRP 26 HD1 TRP 26 -1.088 -16.606 -9.295 203 HE1 TRP 26 HE1 TRP 26 -3.147 -15.608 -10.479 204 HE3 TRP 26 HE3 TRP 26 -1.253 -12.027 -7.057 205 HZ2 TRP 26 HZ2 TRP 26 -4.664 -13.188 -10.477 206 HZ3 TRP 26 HZ3 TRP 26 -3.019 -10.391 -7.671 207 HH2 TRP 26 HH2 TRP 26 -4.721 -10.969 -9.373 208 H ALA 27 HN ALA 27 2.587 -13.449 -8.997 209 HA ALA 27 HA ALA 27 4.829 -13.797 -7.141 210 HB1 ALA 27 HB1 ALA 27 4.342 -12.263 -9.652 211 HB2 ALA 27 HB2 ALA 27 5.779 -13.151 -9.149 212 HB3 ALA 27 HB3 ALA 27 5.457 -11.551 -8.492 213 H PHE 28 HN PHE 28 4.597 -12.828 -5.173 214 HA PHE 28 HA PHE 28 2.437 -10.950 -4.780 215 HB2 PHE 28 HB2 PHE 28 3.347 -12.661 -3.093 216 HB3 PHE 28 HB1 PHE 28 4.683 -11.552 -2.859 217 HD1 PHE 28 HD2 PHE 28 0.927 -11.408 -3.061 218 HD2 PHE 28 HD1 PHE 28 4.497 -10.072 -1.070 219 HE1 PHE 28 HE2 PHE 28 -0.445 -10.124 -1.442 220 HE2 PHE 28 HE1 PHE 28 3.119 -8.801 0.546 221 HZ PHE 28 HZ PHE 28 0.648 -8.829 0.359 222 H CYS 29 HN CYS 29 2.754 -9.157 -5.893 223 HA CYS 29 HA CYS 29 5.133 -7.526 -5.276 224 HB2 CYS 29 HB2 CYS 29 4.080 -8.430 -7.886 225 HB3 CYS 29 HB1 CYS 29 4.509 -6.727 -7.809 226 HG CYS 29 HG CYS 29 6.939 -7.426 -7.139 227 H CYS 30 HN CYS 30 4.653 -5.620 -4.462 228 HA CYS 30 HA CYS 30 2.052 -4.809 -3.833 229 HB2 CYS 30 HB2 CYS 30 4.655 -3.285 -3.954 230 HB3 CYS 30 HB1 CYS 30 3.156 -2.562 -3.373 231 HG CYS 30 HG CYS 30 4.618 -4.941 -1.977 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -4.935 4.112 -4.397 2 H2 ALA 1 HT2 ALA 1 -6.000 3.075 -3.574 3 H3 ALA 1 HT3 ALA 1 -5.742 2.883 -5.242 4 HA ALA 1 HA ALA 1 -3.336 2.447 -4.699 5 HB1 ALA 1 HB1 ALA 1 -4.617 2.274 -1.959 6 HB2 ALA 1 HB2 ALA 1 -3.272 3.304 -2.447 7 HB3 ALA 1 HB3 ALA 1 -3.052 1.557 -2.343 8 H CYS 2 HN CYS 2 -2.736 0.117 -4.202 9 HA CYS 2 HA CYS 2 -4.945 -1.789 -4.199 10 HB2 CYS 2 HB2 CYS 2 -4.441 -2.790 -6.306 11 HB3 CYS 2 HB1 CYS 2 -4.587 -1.058 -6.608 12 HG CYS 2 HG CYS 2 -2.227 -1.028 -7.342 13 H TYR 3 HN TYR 3 -4.194 -4.012 -3.971 14 HA TYR 3 HA TYR 3 -1.356 -4.310 -3.221 15 HB2 TYR 3 HB2 TYR 3 -2.042 -5.544 -1.176 16 HB3 TYR 3 HB1 TYR 3 -2.474 -3.837 -1.129 17 HD1 TYR 3 HD1 TYR 3 -4.842 -3.165 -1.831 18 HD2 TYR 3 HD2 TYR 3 -3.715 -7.220 -0.965 19 HE1 TYR 3 HE1 TYR 3 -7.228 -3.764 -1.528 20 HE2 TYR 3 HE2 TYR 3 -6.102 -7.818 -0.664 21 HH TYR 3 HH TYR 3 -8.670 -5.364 -1.027 22 H CYS 4 HN CYS 4 -1.679 -5.274 -5.413 23 HA CYS 4 HA CYS 4 -1.836 -8.132 -5.118 24 HB2 CYS 4 HB2 CYS 4 -3.956 -6.679 -6.472 25 HB3 CYS 4 HB1 CYS 4 -3.195 -7.873 -7.523 26 HG CYS 4 HG CYS 4 -3.994 -9.750 -6.018 27 H ARG 5 HN ARG 5 -1.269 -9.050 -7.523 28 HA ARG 5 HA ARG 5 1.192 -7.583 -8.230 29 HB2 ARG 5 HB2 ARG 5 1.449 -9.951 -7.839 30 HB3 ARG 5 HB1 ARG 5 0.173 -10.332 -8.982 31 HG2 ARG 5 HG2 ARG 5 1.547 -9.441 -10.823 32 HG3 ARG 5 HG1 ARG 5 2.807 -8.988 -9.670 33 HD2 ARG 5 HD2 ARG 5 3.074 -11.341 -9.026 34 HD3 ARG 5 HD1 ARG 5 1.779 -11.799 -10.127 35 HE ARG 5 HE ARG 5 3.235 -11.480 -11.938 36 HH11 ARG 5 1HH2 ARG 5 4.633 -10.470 -8.938 37 HH12 ARG 5 2HH2 ARG 5 6.232 -10.307 -9.578 38 HH21 ARG 5 1HH1 ARG 5 5.330 -11.283 -12.780 39 HH22 ARG 5 2HH1 ARG 5 6.628 -10.772 -11.755 40 H ILE 6 HN ILE 6 1.213 -6.364 -9.786 41 HA ILE 6 HA ILE 6 -0.700 -6.565 -12.012 42 HB ILE 6 HB ILE 6 0.553 -4.183 -12.364 43 HG12 ILE 6 2HG1 ILE 6 1.988 -4.614 -10.359 44 HG13 ILE 6 1HG1 ILE 6 1.096 -3.110 -10.304 45 HG21 ILE 6 1HG2 ILE 6 -1.787 -4.801 -10.557 46 HG22 ILE 6 2HG2 ILE 6 -1.816 -4.224 -12.224 47 HG23 ILE 6 3HG2 ILE 6 -1.301 -3.145 -10.927 48 HD11 ILE 6 3HD1 ILE 6 -0.539 -5.094 -9.036 49 HD12 ILE 6 1HD1 ILE 6 0.271 -3.715 -8.296 50 HD13 ILE 6 2HD1 ILE 6 1.101 -5.257 -8.417 51 HA PRO 7 HA PRO 7 2.696 -8.106 -14.286 52 HB2 PRO 7 HB2 PRO 7 2.575 -6.648 -16.653 53 HB3 PRO 7 HB1 PRO 7 1.547 -8.040 -16.264 54 HG2 PRO 7 HG2 PRO 7 0.938 -5.129 -16.072 55 HG3 PRO 7 HG1 PRO 7 -0.106 -6.470 -16.575 56 HD2 PRO 7 HD2 PRO 7 -0.298 -5.333 -14.124 57 HD3 PRO 7 HD1 PRO 7 -0.628 -7.057 -14.394 58 H ALA 8 HN ALA 8 3.023 -5.663 -12.570 59 HA ALA 8 HA ALA 8 5.735 -5.001 -13.337 60 HB1 ALA 8 HB1 ALA 8 5.283 -2.588 -13.110 61 HB2 ALA 8 HB2 ALA 8 3.561 -2.934 -12.962 62 HB3 ALA 8 HB3 ALA 8 4.404 -3.282 -14.472 63 H CYS 9 HN CYS 9 6.660 -5.607 -11.347 64 HA CYS 9 HA CYS 9 5.195 -5.313 -8.939 65 HB2 CYS 9 HB2 CYS 9 7.452 -6.653 -9.492 66 HB3 CYS 9 HB1 CYS 9 8.172 -5.200 -8.797 67 HG CYS 9 HG CYS 9 7.549 -6.119 -6.583 68 H ILE 10 HN ILE 10 4.348 -3.363 -8.645 69 HA ILE 10 HA ILE 10 5.602 -0.976 -9.400 70 HB ILE 10 HB ILE 10 3.336 -1.487 -7.470 71 HG12 ILE 10 2HG1 ILE 10 3.335 -0.316 -10.261 72 HG13 ILE 10 1HG1 ILE 10 3.110 -2.031 -9.945 73 HG21 ILE 10 1HG2 ILE 10 2.885 0.996 -7.912 74 HG22 ILE 10 2HG2 ILE 10 4.534 1.088 -8.529 75 HG23 ILE 10 3HG2 ILE 10 4.246 0.646 -6.848 76 HD11 ILE 10 3HD1 ILE 10 1.153 -1.568 -8.573 77 HD12 ILE 10 1HD1 ILE 10 0.950 -0.801 -10.150 78 HD13 ILE 10 2HD1 ILE 10 1.412 0.165 -8.750 79 H ALA 11 HN ALA 11 5.428 -2.583 -6.210 80 HA ALA 11 HA ALA 11 6.919 -0.466 -4.932 81 HB1 ALA 11 HB1 ALA 11 6.878 -1.829 -2.966 82 HB2 ALA 11 HB2 ALA 11 6.480 -3.270 -3.902 83 HB3 ALA 11 HB3 ALA 11 5.303 -1.977 -3.732 84 H GLY 12 HN GLY 12 7.713 -3.342 -6.692 85 HA2 GLY 12 HA2 GLY 12 9.769 -4.215 -7.301 86 HA3 GLY 12 HA1 GLY 12 10.501 -2.735 -6.679 87 H GLU 13 HN GLU 13 8.389 -4.737 -4.779 88 HA GLU 13 HA GLU 13 10.580 -5.300 -2.892 89 HB2 GLU 13 HB2 GLU 13 7.578 -5.218 -2.620 90 HB3 GLU 13 HB1 GLU 13 8.607 -5.922 -1.373 91 HG2 GLU 13 HG2 GLU 13 9.863 -3.788 -1.259 92 HG3 GLU 13 HG1 GLU 13 8.759 -3.100 -2.443 93 H ARG 14 HN ARG 14 9.851 -7.376 -1.529 94 HA ARG 14 HA ARG 14 9.922 -9.606 -3.459 95 HB2 ARG 14 HB2 ARG 14 10.670 -9.439 -0.530 96 HB3 ARG 14 HB1 ARG 14 10.745 -10.909 -1.501 97 HG2 ARG 14 HG2 ARG 14 12.365 -9.883 -3.008 98 HG3 ARG 14 HG1 ARG 14 12.232 -8.347 -2.149 99 HD2 ARG 14 HD2 ARG 14 14.230 -9.519 -1.387 100 HD3 ARG 14 HD1 ARG 14 13.050 -9.467 -0.081 101 HE ARG 14 HE ARG 14 12.756 -11.863 -1.597 102 HH11 ARG 14 1HH2 ARG 14 14.770 -10.266 0.724 103 HH12 ARG 14 2HH2 ARG 14 15.355 -11.734 1.432 104 HH21 ARG 14 1HH1 ARG 14 13.522 -13.793 -0.670 105 HH22 ARG 14 2HH1 ARG 14 14.648 -13.729 0.644 106 H ARG 15 HN ARG 15 8.486 -11.268 -3.346 107 HA ARG 15 HA ARG 15 5.890 -10.717 -2.342 108 HB2 ARG 15 HB2 ARG 15 6.717 -13.530 -3.019 109 HB3 ARG 15 HB1 ARG 15 5.236 -12.672 -3.414 110 HG2 ARG 15 HG2 ARG 15 6.183 -12.564 -5.508 111 HG3 ARG 15 HG1 ARG 15 7.016 -11.166 -4.835 112 HD2 ARG 15 HD2 ARG 15 8.931 -12.618 -4.222 113 HD3 ARG 15 HD1 ARG 15 8.077 -14.010 -4.872 114 HE ARG 15 HE ARG 15 8.629 -13.295 -7.012 115 HH11 ARG 15 1HH2 ARG 15 9.133 -10.785 -4.685 116 HH12 ARG 15 2HH2 ARG 15 9.965 -9.740 -5.788 117 HH21 ARG 15 1HH1 ARG 15 9.715 -11.932 -8.464 118 HH22 ARG 15 2HH1 ARG 15 10.295 -10.389 -7.929 119 H TYR 16 HN TYR 16 4.821 -11.519 -0.553 120 HA TYR 16 HA TYR 16 6.160 -13.447 1.194 121 HB2 TYR 16 HB2 TYR 16 7.056 -11.348 2.011 122 HB3 TYR 16 HB1 TYR 16 5.438 -10.651 2.095 123 HD1 TYR 16 HD1 TYR 16 7.352 -13.647 3.308 124 HD2 TYR 16 HD2 TYR 16 4.286 -10.752 4.141 125 HE1 TYR 16 HE1 TYR 16 7.067 -14.597 5.581 126 HE2 TYR 16 HE2 TYR 16 4.003 -11.705 6.409 127 HH TYR 16 HH TYR 16 4.414 -13.861 7.556 128 H GLY 17 HN GLY 17 3.798 -11.326 2.522 129 HA2 GLY 17 HA2 GLY 17 1.912 -13.500 2.833 130 HA3 GLY 17 HA1 GLY 17 1.724 -11.852 3.436 131 H THR 18 HN THR 18 1.867 -13.641 0.377 132 HA THR 18 HA THR 18 0.382 -11.628 -1.041 133 HB THR 18 HB THR 18 0.769 -12.920 -2.949 134 HG1 THR 18 HG1 THR 18 0.592 -14.989 -1.138 135 HG21 THR 18 3HG2 THR 18 3.089 -13.373 -2.901 136 HG22 THR 18 1HG2 THR 18 3.046 -13.790 -1.192 137 HG23 THR 18 2HG2 THR 18 2.845 -12.112 -1.693 138 H CYS 19 HN CYS 19 -1.537 -12.202 -2.338 139 HA CYS 19 HA CYS 19 -3.505 -13.680 -0.713 140 HB2 CYS 19 HB2 CYS 19 -5.165 -12.489 -2.188 141 HB3 CYS 19 HB1 CYS 19 -4.182 -11.411 -1.201 142 HG CYS 19 HG CYS 19 -3.352 -10.366 -3.286 143 H ILE 20 HN ILE 20 -4.578 -15.441 -1.533 144 HA ILE 20 HA ILE 20 -3.382 -16.743 -3.816 145 HB ILE 20 HB ILE 20 -5.855 -17.611 -2.313 146 HG12 ILE 20 2HG1 ILE 20 -4.153 -17.182 -0.641 147 HG13 ILE 20 1HG1 ILE 20 -4.236 -18.924 -0.896 148 HG21 ILE 20 1HG2 ILE 20 -3.691 -19.138 -3.794 149 HG22 ILE 20 2HG2 ILE 20 -5.311 -18.811 -4.407 150 HG23 ILE 20 3HG2 ILE 20 -5.094 -19.848 -2.998 151 HD11 ILE 20 3HD1 ILE 20 -2.133 -16.984 -1.853 152 HD12 ILE 20 1HD1 ILE 20 -2.335 -18.556 -2.626 153 HD13 ILE 20 2HD1 ILE 20 -1.920 -18.461 -0.916 154 H TYR 21 HN TYR 21 -3.981 -16.505 -5.848 155 HA TYR 21 HA TYR 21 -6.781 -16.140 -6.566 156 HB2 TYR 21 HB2 TYR 21 -5.990 -13.833 -6.158 157 HB3 TYR 21 HB1 TYR 21 -4.693 -14.083 -7.327 158 HD1 TYR 21 HD1 TYR 21 -8.407 -14.123 -6.946 159 HD2 TYR 21 HD2 TYR 21 -5.083 -13.797 -9.647 160 HE1 TYR 21 HE1 TYR 21 -9.959 -13.521 -8.784 161 HE2 TYR 21 HE2 TYR 21 -6.635 -13.196 -11.484 162 HH TYR 21 HH TYR 21 -10.135 -13.308 -11.043 163 H GLN 22 HN GLN 22 -7.199 -17.263 -8.354 164 HA GLN 22 HA GLN 22 -6.861 -18.614 -10.184 165 HB2 GLN 22 HB2 GLN 22 -6.305 -16.188 -10.973 166 HB3 GLN 22 HB1 GLN 22 -4.633 -16.743 -10.982 167 HG2 GLN 22 HG2 GLN 22 -5.507 -17.087 -13.198 168 HG3 GLN 22 HG1 GLN 22 -5.385 -18.673 -12.447 169 HE21 GLN 22 1HE2 GLN 22 -7.150 -19.767 -13.400 170 HE22 GLN 22 2HE2 GLN 22 -8.755 -19.223 -13.307 171 H GLY 23 HN GLY 23 -4.924 -18.682 -7.705 172 HA2 GLY 23 HA2 GLY 23 -3.487 -20.410 -7.058 173 HA3 GLY 23 HA1 GLY 23 -3.314 -20.879 -8.745 174 H ARG 24 HN ARG 24 -2.896 -17.640 -8.763 175 HA ARG 24 HA ARG 24 0.043 -17.882 -8.726 176 HB2 ARG 24 HB2 ARG 24 -1.803 -15.756 -9.845 177 HB3 ARG 24 HB1 ARG 24 -0.043 -15.674 -9.894 178 HG2 ARG 24 HG2 ARG 24 0.036 -17.762 -11.186 179 HG3 ARG 24 HG1 ARG 24 -1.722 -17.888 -11.110 180 HD2 ARG 24 HD2 ARG 24 -0.257 -15.533 -12.325 181 HD3 ARG 24 HD1 ARG 24 -0.854 -16.900 -13.261 182 HE ARG 24 HE ARG 24 -2.989 -15.912 -11.731 183 HH11 ARG 24 1HH2 ARG 24 -0.871 -14.947 -14.291 184 HH12 ARG 24 2HH2 ARG 24 -2.025 -13.889 -15.033 185 HH21 ARG 24 1HH1 ARG 24 -4.508 -14.530 -12.697 186 HH22 ARG 24 2HH1 ARG 24 -4.085 -13.654 -14.131 187 H LEU 25 HN LEU 25 1.290 -16.826 -7.262 188 HA LEU 25 HA LEU 25 -0.029 -15.583 -4.996 189 HB2 LEU 25 HB2 LEU 25 2.932 -15.888 -5.565 190 HB3 LEU 25 HB1 LEU 25 2.200 -15.465 -4.018 191 HG LEU 25 HG LEU 25 1.740 -18.066 -5.512 192 HD11 LEU 25 1HD1 LEU 25 3.342 -17.489 -2.999 193 HD12 LEU 25 2HD1 LEU 25 4.030 -17.839 -4.585 194 HD13 LEU 25 3HD1 LEU 25 3.102 -19.074 -3.734 195 HD21 LEU 25 3HD2 LEU 25 -0.199 -17.756 -4.219 196 HD22 LEU 25 1HD2 LEU 25 0.666 -16.904 -2.940 197 HD23 LEU 25 2HD2 LEU 25 0.835 -18.652 -3.111 198 H TRP 26 HN TRP 26 -0.073 -13.487 -4.463 199 HA TRP 26 HA TRP 26 0.453 -11.522 -6.504 200 HB2 TRP 26 HB2 TRP 26 -1.425 -10.851 -5.344 201 HB3 TRP 26 HB1 TRP 26 -0.910 -11.635 -3.865 202 HD1 TRP 26 HD1 TRP 26 0.878 -8.888 -5.857 203 HE1 TRP 26 HE1 TRP 26 1.300 -6.876 -4.305 204 HE3 TRP 26 HE3 TRP 26 -1.527 -10.493 -1.657 205 HZ2 TRP 26 HZ2 TRP 26 0.696 -6.058 -1.634 206 HZ3 TRP 26 HZ3 TRP 26 -1.588 -9.086 0.376 207 HH2 TRP 26 HH2 TRP 26 -0.485 -6.867 0.393 208 H ALA 27 HN ALA 27 2.510 -10.842 -6.846 209 HA ALA 27 HA ALA 27 4.572 -11.010 -4.896 210 HB1 ALA 27 HB1 ALA 27 5.220 -10.998 -7.214 211 HB2 ALA 27 HB2 ALA 27 5.832 -9.511 -6.488 212 HB3 ALA 27 HB3 ALA 27 4.383 -9.471 -7.490 213 H PHE 28 HN PHE 28 5.541 -9.278 -3.672 214 HA PHE 28 HA PHE 28 3.561 -7.410 -2.776 215 HB2 PHE 28 HB2 PHE 28 5.542 -8.511 -1.480 216 HB3 PHE 28 HB1 PHE 28 6.485 -7.169 -2.113 217 HD1 PHE 28 HD2 PHE 28 5.310 -4.772 -1.860 218 HD2 PHE 28 HD1 PHE 28 4.419 -8.217 0.551 219 HE1 PHE 28 HE2 PHE 28 4.379 -3.302 -0.096 220 HE2 PHE 28 HE1 PHE 28 3.488 -6.743 2.311 221 HZ PHE 28 HZ PHE 28 3.467 -4.285 1.989 222 H CYS 29 HN CYS 29 2.936 -5.958 -4.101 223 HA CYS 29 HA CYS 29 4.860 -4.158 -5.466 224 HB2 CYS 29 HB2 CYS 29 2.051 -4.823 -6.353 225 HB3 CYS 29 HB1 CYS 29 3.329 -4.044 -7.291 226 HG CYS 29 HG CYS 29 3.400 -7.065 -6.462 227 H CYS 30 HN CYS 30 3.907 -1.950 -5.825 228 HA CYS 30 HA CYS 30 2.931 -0.020 -5.050 229 HB2 CYS 30 HB2 CYS 30 0.904 -1.694 -3.578 230 HB3 CYS 30 HB1 CYS 30 0.713 -0.082 -4.262 231 HG CYS 30 HG CYS 30 -0.092 -1.204 -6.308 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -2.306 -0.680 1.647 2 H2 ALA 1 HT2 ALA 1 -3.845 -0.609 2.363 3 H3 ALA 1 HT3 ALA 1 -3.650 -0.223 0.720 4 HA ALA 1 HA ALA 1 -3.617 -2.855 2.030 5 HB1 ALA 1 HB1 ALA 1 -4.776 -1.873 -0.594 6 HB2 ALA 1 HB2 ALA 1 -5.667 -1.924 0.927 7 HB3 ALA 1 HB3 ALA 1 -5.098 -3.421 0.187 8 H CYS 2 HN CYS 2 -3.147 -4.622 0.283 9 HA CYS 2 HA CYS 2 -0.498 -3.995 -0.855 10 HB2 CYS 2 HB2 CYS 2 -0.867 -5.934 0.789 11 HB3 CYS 2 HB1 CYS 2 -1.657 -6.756 -0.557 12 HG CYS 2 HG CYS 2 0.739 -7.401 -1.010 13 H TYR 3 HN TYR 3 0.001 -5.497 -2.774 14 HA TYR 3 HA TYR 3 -2.255 -5.533 -4.670 15 HB2 TYR 3 HB2 TYR 3 0.483 -4.331 -5.092 16 HB3 TYR 3 HB1 TYR 3 -0.562 -4.807 -6.430 17 HD1 TYR 3 HD1 TYR 3 -3.015 -3.917 -6.366 18 HD2 TYR 3 HD2 TYR 3 0.219 -2.194 -4.124 19 HE1 TYR 3 HE1 TYR 3 -4.299 -1.811 -6.135 20 HE2 TYR 3 HE2 TYR 3 -1.066 -0.084 -3.895 21 HH TYR 3 HH TYR 3 -2.894 1.092 -5.083 22 H CYS 4 HN CYS 4 -2.116 -6.993 -6.280 23 HA CYS 4 HA CYS 4 -0.686 -9.437 -5.633 24 HB2 CYS 4 HB2 CYS 4 -2.674 -8.866 -7.830 25 HB3 CYS 4 HB1 CYS 4 -2.139 -10.451 -7.273 26 HG CYS 4 HG CYS 4 -4.068 -10.271 -5.717 27 H ARG 5 HN ARG 5 -0.165 -10.659 -7.955 28 HA ARG 5 HA ARG 5 1.992 -8.993 -9.030 29 HB2 ARG 5 HB2 ARG 5 2.644 -11.218 -8.450 30 HB3 ARG 5 HB1 ARG 5 1.326 -11.911 -9.370 31 HG2 ARG 5 HG2 ARG 5 2.327 -11.208 -11.459 32 HG3 ARG 5 HG1 ARG 5 3.570 -10.291 -10.611 33 HD2 ARG 5 HD2 ARG 5 4.361 -12.398 -9.574 34 HD3 ARG 5 HD1 ARG 5 3.146 -13.280 -10.492 35 HE ARG 5 HE ARG 5 4.423 -12.961 -12.441 36 HH11 ARG 5 1HH2 ARG 5 5.708 -11.209 -9.737 37 HH12 ARG 5 2HH2 ARG 5 7.223 -10.870 -10.506 38 HH21 ARG 5 1HH1 ARG 5 6.412 -12.527 -13.442 39 HH22 ARG 5 2HH1 ARG 5 7.621 -11.617 -12.600 40 H ILE 6 HN ILE 6 1.633 -7.831 -10.572 41 HA ILE 6 HA ILE 6 0.338 -8.766 -13.001 42 HB ILE 6 HB ILE 6 -0.495 -6.331 -13.244 43 HG12 ILE 6 2HG1 ILE 6 0.788 -5.771 -10.974 44 HG13 ILE 6 1HG1 ILE 6 -0.715 -4.966 -11.374 45 HG21 ILE 6 1HG2 ILE 6 -2.590 -6.895 -11.861 46 HG22 ILE 6 2HG2 ILE 6 -1.753 -8.388 -11.431 47 HG23 ILE 6 3HG2 ILE 6 -2.123 -8.040 -13.120 48 HD11 ILE 6 3HD1 ILE 6 -1.951 -6.255 -9.855 49 HD12 ILE 6 1HD1 ILE 6 -0.449 -5.932 -9.001 50 HD13 ILE 6 2HD1 ILE 6 -0.721 -7.501 -9.754 51 HA PRO 7 HA PRO 7 4.476 -7.446 -14.050 52 HB2 PRO 7 HB2 PRO 7 3.264 -6.520 -16.619 53 HB3 PRO 7 HB1 PRO 7 4.691 -7.538 -16.348 54 HG2 PRO 7 HG2 PRO 7 2.360 -8.566 -17.167 55 HG3 PRO 7 HG1 PRO 7 3.444 -9.451 -16.075 56 HD2 PRO 7 HD2 PRO 7 0.846 -8.116 -15.465 57 HD3 PRO 7 HD1 PRO 7 1.642 -9.492 -14.658 58 H ALA 8 HN ALA 8 4.474 -5.803 -12.525 59 HA ALA 8 HA ALA 8 4.247 -3.067 -13.551 60 HB1 ALA 8 HB1 ALA 8 2.942 -2.315 -11.663 61 HB2 ALA 8 HB2 ALA 8 2.972 -3.926 -10.943 62 HB3 ALA 8 HB3 ALA 8 2.073 -3.643 -12.432 63 H CYS 9 HN CYS 9 4.658 -1.828 -11.062 64 HA CYS 9 HA CYS 9 7.441 -1.957 -10.813 65 HB2 CYS 9 HB2 CYS 9 7.128 -0.639 -8.766 66 HB3 CYS 9 HB1 CYS 9 6.088 -0.044 -10.060 67 HG CYS 9 HG CYS 9 5.027 -0.843 -7.461 68 H ILE 10 HN ILE 10 7.695 -4.341 -10.726 69 HA ILE 10 HA ILE 10 6.882 -5.853 -8.447 70 HB ILE 10 HB ILE 10 9.031 -6.300 -10.533 71 HG12 ILE 10 2HG1 ILE 10 6.473 -7.871 -10.180 72 HG13 ILE 10 1HG1 ILE 10 6.449 -6.346 -11.044 73 HG21 ILE 10 1HG2 ILE 10 9.762 -7.575 -8.665 74 HG22 ILE 10 2HG2 ILE 10 8.857 -8.719 -9.655 75 HG23 ILE 10 3HG2 ILE 10 8.114 -8.015 -8.219 76 HD11 ILE 10 3HD1 ILE 10 8.257 -8.679 -11.704 77 HD12 ILE 10 1HD1 ILE 10 8.155 -7.164 -12.599 78 HD13 ILE 10 2HD1 ILE 10 6.779 -8.267 -12.571 79 H ALA 11 HN ALA 11 9.362 -3.572 -9.023 80 HA ALA 11 HA ALA 11 10.981 -4.468 -6.726 81 HB1 ALA 11 HB1 ALA 11 12.010 -3.787 -8.972 82 HB2 ALA 11 HB2 ALA 11 12.685 -3.030 -7.529 83 HB3 ALA 11 HB3 ALA 11 11.559 -2.135 -8.551 84 H GLY 12 HN GLY 12 11.990 -2.013 -5.918 85 HA2 GLY 12 HA2 GLY 12 11.487 -0.032 -4.798 86 HA3 GLY 12 HA1 GLY 12 9.806 -0.208 -5.285 87 H GLU 13 HN GLU 13 8.363 -1.028 -3.871 88 HA GLU 13 HA GLU 13 9.342 -1.721 -1.172 89 HB2 GLU 13 HB2 GLU 13 7.690 0.153 -1.477 90 HB3 GLU 13 HB1 GLU 13 6.534 -1.033 -2.076 91 HG2 GLU 13 HG2 GLU 13 6.526 -2.201 0.036 92 HG3 GLU 13 HG1 GLU 13 7.865 -1.226 0.641 93 H ARG 14 HN ARG 14 8.010 -3.417 -0.028 94 HA ARG 14 HA ARG 14 7.645 -5.724 -1.825 95 HB2 ARG 14 HB2 ARG 14 8.124 -5.520 1.148 96 HB3 ARG 14 HB1 ARG 14 7.776 -7.035 0.315 97 HG2 ARG 14 HG2 ARG 14 9.746 -6.689 -1.137 98 HG3 ARG 14 HG1 ARG 14 10.100 -5.181 -0.292 99 HD2 ARG 14 HD2 ARG 14 9.940 -7.889 1.054 100 HD3 ARG 14 HD1 ARG 14 11.443 -7.125 0.546 101 HE ARG 14 HE ARG 14 9.895 -6.465 2.876 102 HH11 ARG 14 1HH2 ARG 14 12.000 -5.250 0.414 103 HH12 ARG 14 2HH2 ARG 14 12.598 -3.940 1.377 104 HH21 ARG 14 1HH1 ARG 14 10.674 -4.750 4.147 105 HH22 ARG 14 2HH1 ARG 14 11.846 -3.657 3.490 106 H ARG 15 HN ARG 15 5.939 -7.265 -1.289 107 HA ARG 15 HA ARG 15 3.401 -5.995 -1.192 108 HB2 ARG 15 HB2 ARG 15 2.608 -8.442 -0.910 109 HB3 ARG 15 HB1 ARG 15 3.470 -8.025 -2.391 110 HG2 ARG 15 HG2 ARG 15 5.414 -9.144 -1.754 111 HG3 ARG 15 HG1 ARG 15 5.075 -8.983 -0.032 112 HD2 ARG 15 HD2 ARG 15 3.453 -10.731 -1.895 113 HD3 ARG 15 HD1 ARG 15 4.805 -11.323 -0.934 114 HE ARG 15 HE ARG 15 2.169 -10.594 0.047 115 HH11 ARG 15 1HH2 ARG 15 5.518 -11.104 0.750 116 HH12 ARG 15 2HH2 ARG 15 5.263 -11.407 2.437 117 HH21 ARG 15 1HH1 ARG 15 1.827 -10.992 2.263 118 HH22 ARG 15 2HH1 ARG 15 3.175 -11.342 3.292 119 H TYR 16 HN TYR 16 2.050 -5.618 0.491 120 HA TYR 16 HA TYR 16 3.052 -6.067 3.191 121 HB2 TYR 16 HB2 TYR 16 2.038 -3.901 2.582 122 HB3 TYR 16 HB1 TYR 16 0.514 -4.717 2.236 123 HD1 TYR 16 HD2 TYR 16 3.015 -4.086 4.930 124 HD2 TYR 16 HD1 TYR 16 -1.010 -5.242 3.976 125 HE1 TYR 16 HE2 TYR 16 2.414 -3.972 7.333 126 HE2 TYR 16 HE1 TYR 16 -1.612 -5.129 6.379 127 HH TYR 16 HH TYR 16 -0.812 -4.020 8.422 128 H GLY 17 HN GLY 17 0.996 -7.615 0.965 129 HA2 GLY 17 HA2 GLY 17 0.482 -9.836 2.595 130 HA3 GLY 17 HA1 GLY 17 -0.929 -8.786 2.662 131 H THR 18 HN THR 18 0.595 -11.248 0.947 132 HA THR 18 HA THR 18 -0.488 -10.655 -1.667 133 HB THR 18 HB THR 18 1.461 -11.965 -1.756 134 HG1 THR 18 HG1 THR 18 -0.865 -13.052 -2.429 135 HG21 THR 18 3HG2 THR 18 1.612 -14.112 -0.384 136 HG22 THR 18 1HG2 THR 18 0.202 -13.529 0.499 137 HG23 THR 18 2HG2 THR 18 1.703 -12.608 0.530 138 H CYS 19 HN CYS 19 -2.255 -11.583 -2.653 139 HA CYS 19 HA CYS 19 -3.994 -13.337 -1.018 140 HB2 CYS 19 HB2 CYS 19 -5.958 -12.062 -1.811 141 HB3 CYS 19 HB1 CYS 19 -4.885 -11.066 -0.828 142 HG CYS 19 HG CYS 19 -4.684 -9.551 -2.766 143 H ILE 20 HN ILE 20 -4.302 -15.157 -2.086 144 HA ILE 20 HA ILE 20 -3.896 -15.288 -4.972 145 HB ILE 20 HB ILE 20 -4.503 -17.441 -2.940 146 HG12 ILE 20 2HG1 ILE 20 -1.953 -16.840 -4.455 147 HG13 ILE 20 1HG1 ILE 20 -2.270 -16.250 -2.821 148 HG21 ILE 20 1HG2 ILE 20 -5.311 -18.211 -5.060 149 HG22 ILE 20 2HG2 ILE 20 -3.710 -18.921 -4.879 150 HG23 ILE 20 3HG2 ILE 20 -3.936 -17.513 -5.916 151 HD11 ILE 20 3HD1 ILE 20 -2.332 -19.157 -3.653 152 HD12 ILE 20 1HD1 ILE 20 -2.559 -18.534 -2.019 153 HD13 ILE 20 2HD1 ILE 20 -0.993 -18.376 -2.814 154 H TYR 21 HN TYR 21 -5.414 -15.677 -6.462 155 HA TYR 21 HA TYR 21 -8.147 -16.338 -5.659 156 HB2 TYR 21 HB2 TYR 21 -8.016 -13.885 -5.527 157 HB3 TYR 21 HB1 TYR 21 -7.451 -13.831 -7.197 158 HD1 TYR 21 HD2 TYR 21 -10.308 -14.783 -5.017 159 HD2 TYR 21 HD1 TYR 21 -8.963 -14.068 -9.033 160 HE1 TYR 21 HE2 TYR 21 -12.655 -14.849 -5.815 161 HE2 TYR 21 HE1 TYR 21 -11.310 -14.133 -9.831 162 HH TYR 21 HH TYR 21 -13.518 -13.930 -9.063 163 H GLN 22 HN GLN 22 -8.628 -17.995 -6.940 164 HA GLN 22 HA GLN 22 -8.698 -19.383 -8.774 165 HB2 GLN 22 HB2 GLN 22 -8.811 -16.691 -10.157 166 HB3 GLN 22 HB1 GLN 22 -9.201 -18.232 -10.919 167 HG2 GLN 22 HG2 GLN 22 -10.589 -17.137 -8.457 168 HG3 GLN 22 HG1 GLN 22 -11.223 -17.016 -10.096 169 HE21 GLN 22 1HE2 GLN 22 -11.757 -18.756 -7.410 170 HE22 GLN 22 2HE2 GLN 22 -12.129 -20.270 -8.080 171 H GLY 23 HN GLY 23 -6.038 -18.691 -7.788 172 HA2 GLY 23 HA2 GLY 23 -3.956 -19.503 -8.532 173 HA3 GLY 23 HA1 GLY 23 -4.534 -19.430 -10.193 174 H ARG 24 HN ARG 24 -4.683 -16.777 -7.829 175 HA ARG 24 HA ARG 24 -3.199 -15.086 -9.707 176 HB2 ARG 24 HB2 ARG 24 -5.342 -14.357 -8.544 177 HB3 ARG 24 HB1 ARG 24 -4.394 -14.257 -7.060 178 HG2 ARG 24 HG2 ARG 24 -2.849 -12.675 -8.144 179 HG3 ARG 24 HG1 ARG 24 -3.780 -12.785 -9.639 180 HD2 ARG 24 HD2 ARG 24 -4.886 -11.836 -6.983 181 HD3 ARG 24 HD1 ARG 24 -4.375 -10.776 -8.293 182 HE ARG 24 HE ARG 24 -6.805 -12.364 -8.194 183 HH11 ARG 24 1HH2 ARG 24 -4.501 -10.655 -10.129 184 HH12 ARG 24 2HH2 ARG 24 -5.593 -10.402 -11.450 185 HH21 ARG 24 1HH1 ARG 24 -8.241 -12.038 -9.922 186 HH22 ARG 24 2HH1 ARG 24 -7.710 -11.185 -11.333 187 H LEU 25 HN LEU 25 -1.183 -14.430 -9.452 188 HA LEU 25 HA LEU 25 0.376 -15.402 -7.164 189 HB2 LEU 25 HB2 LEU 25 1.075 -14.369 -9.908 190 HB3 LEU 25 HB1 LEU 25 2.304 -14.573 -8.663 191 HG LEU 25 HG LEU 25 2.084 -16.550 -10.187 192 HD11 LEU 25 1HD1 LEU 25 2.660 -16.592 -7.575 193 HD12 LEU 25 2HD1 LEU 25 2.512 -18.078 -8.509 194 HD13 LEU 25 3HD1 LEU 25 1.172 -17.537 -7.504 195 HD21 LEU 25 3HD2 LEU 25 0.132 -17.873 -10.260 196 HD22 LEU 25 1HD2 LEU 25 -0.481 -16.222 -10.334 197 HD23 LEU 25 2HD2 LEU 25 -0.544 -17.119 -8.816 198 H TRP 26 HN TRP 26 2.073 -14.002 -6.261 199 HA TRP 26 HA TRP 26 1.274 -11.141 -6.174 200 HB2 TRP 26 HB2 TRP 26 2.185 -11.120 -3.849 201 HB3 TRP 26 HB1 TRP 26 0.736 -12.104 -4.047 202 HD1 TRP 26 HD1 TRP 26 0.965 -14.722 -3.861 203 HE1 TRP 26 HE1 TRP 26 2.840 -16.250 -2.977 204 HE3 TRP 26 HE3 TRP 26 4.821 -11.376 -3.681 205 HZ2 TRP 26 HZ2 TRP 26 5.609 -16.081 -2.296 206 HZ3 TRP 26 HZ3 TRP 26 7.063 -12.091 -2.917 207 HH2 TRP 26 HH2 TRP 26 7.465 -14.437 -2.226 208 H ALA 27 HN ALA 27 2.752 -9.704 -6.341 209 HA ALA 27 HA ALA 27 5.577 -10.515 -6.700 210 HB1 ALA 27 HB1 ALA 27 5.700 -8.372 -8.051 211 HB2 ALA 27 HB2 ALA 27 3.940 -8.325 -7.994 212 HB3 ALA 27 HB3 ALA 27 4.766 -9.668 -8.785 213 H PHE 28 HN PHE 28 7.109 -8.858 -6.010 214 HA PHE 28 HA PHE 28 6.293 -7.736 -3.478 215 HB2 PHE 28 HB2 PHE 28 8.797 -7.501 -5.163 216 HB3 PHE 28 HB1 PHE 28 8.627 -6.790 -3.568 217 HD1 PHE 28 HD1 PHE 28 8.085 -8.341 -1.597 218 HD2 PHE 28 HD2 PHE 28 9.418 -9.768 -5.421 219 HE1 PHE 28 HE1 PHE 28 8.779 -10.482 -0.555 220 HE2 PHE 28 HE2 PHE 28 10.111 -11.910 -4.381 221 HZ PHE 28 HZ PHE 28 9.794 -12.266 -1.948 222 H CYS 29 HN CYS 29 4.776 -6.203 -3.788 223 HA CYS 29 HA CYS 29 5.466 -3.822 -5.401 224 HB2 CYS 29 HB2 CYS 29 3.884 -5.498 -6.566 225 HB3 CYS 29 HB1 CYS 29 2.693 -5.024 -5.356 226 HG CYS 29 HG CYS 29 4.007 -2.913 -7.266 227 H CYS 30 HN CYS 30 3.376 -2.251 -4.951 228 HA CYS 30 HA CYS 30 2.135 -1.043 -3.428 229 HB2 CYS 30 HB2 CYS 30 2.985 -2.799 -1.137 230 HB3 CYS 30 HB1 CYS 30 1.470 -1.939 -1.383 231 HG CYS 30 HG CYS 30 0.561 -3.884 -2.626 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -3.663 1.884 -2.308 2 H2 ALA 1 HT2 ALA 1 -5.005 1.344 -1.417 3 H3 ALA 1 HT3 ALA 1 -4.777 0.816 -3.015 4 HA ALA 1 HA ALA 1 -2.451 0.119 -1.771 5 HB1 ALA 1 HB1 ALA 1 -3.598 0.625 0.392 6 HB2 ALA 1 HB2 ALA 1 -3.161 -1.077 0.238 7 HB3 ALA 1 HB3 ALA 1 -4.830 -0.568 -0.017 8 H CYS 2 HN CYS 2 -2.045 -2.070 -2.225 9 HA CYS 2 HA CYS 2 -4.214 -3.772 -3.194 10 HB2 CYS 2 HB2 CYS 2 -2.910 -4.182 -5.345 11 HB3 CYS 2 HB1 CYS 2 -3.742 -2.631 -5.237 12 HG CYS 2 HG CYS 2 -1.520 -1.431 -4.922 13 H TYR 3 HN TYR 3 -3.772 -5.908 -2.858 14 HA TYR 3 HA TYR 3 -0.977 -6.632 -2.131 15 HB2 TYR 3 HB2 TYR 3 -3.468 -7.828 -0.910 16 HB3 TYR 3 HB1 TYR 3 -1.803 -8.065 -0.405 17 HD1 TYR 3 HD1 TYR 3 -0.485 -6.007 0.428 18 HD2 TYR 3 HD2 TYR 3 -4.754 -6.072 -0.006 19 HE1 TYR 3 HE1 TYR 3 -0.669 -4.090 1.987 20 HE2 TYR 3 HE2 TYR 3 -4.941 -4.150 1.546 21 HH TYR 3 HH TYR 3 -2.066 -2.799 3.154 22 H CYS 4 HN CYS 4 -1.187 -7.059 -4.577 23 HA CYS 4 HA CYS 4 -1.481 -9.905 -4.891 24 HB2 CYS 4 HB2 CYS 4 -3.623 -8.255 -5.762 25 HB3 CYS 4 HB1 CYS 4 -2.787 -8.793 -7.216 26 HG CYS 4 HG CYS 4 -4.321 -10.618 -5.243 27 H ARG 5 HN ARG 5 -0.773 -10.454 -7.296 28 HA ARG 5 HA ARG 5 1.626 -8.785 -7.830 29 HB2 ARG 5 HB2 ARG 5 1.921 -11.229 -7.529 30 HB3 ARG 5 HB1 ARG 5 0.872 -11.501 -8.921 31 HG2 ARG 5 HG2 ARG 5 2.432 -10.268 -10.342 32 HG3 ARG 5 HG1 ARG 5 3.475 -9.965 -8.944 33 HD2 ARG 5 HD2 ARG 5 4.313 -11.918 -10.130 34 HD3 ARG 5 HD1 ARG 5 3.631 -12.434 -8.590 35 HE ARG 5 HE ARG 5 1.656 -12.549 -10.640 36 HH11 ARG 5 1HH2 ARG 5 4.472 -14.136 -9.389 37 HH12 ARG 5 2HH2 ARG 5 4.048 -15.687 -10.030 38 HH21 ARG 5 1HH1 ARG 5 1.101 -14.581 -11.478 39 HH22 ARG 5 2HH1 ARG 5 2.141 -15.939 -11.211 40 H ILE 6 HN ILE 6 1.225 -7.279 -9.206 41 HA ILE 6 HA ILE 6 -0.543 -7.882 -11.475 42 HB ILE 6 HB ILE 6 -0.125 -5.140 -11.546 43 HG12 ILE 6 2HG1 ILE 6 0.988 -5.514 -9.219 44 HG13 ILE 6 1HG1 ILE 6 -0.193 -4.223 -9.392 45 HG21 ILE 6 1HG2 ILE 6 -2.441 -5.067 -10.414 46 HG22 ILE 6 2HG2 ILE 6 -2.318 -6.825 -10.344 47 HG23 ILE 6 3HG2 ILE 6 -2.292 -6.003 -11.904 48 HD11 ILE 6 3HD1 ILE 6 -1.082 -6.963 -8.497 49 HD12 ILE 6 1HD1 ILE 6 -1.862 -5.403 -8.253 50 HD13 ILE 6 2HD1 ILE 6 -0.410 -5.808 -7.346 51 HA PRO 7 HA PRO 7 2.827 -7.878 -14.212 52 HB2 PRO 7 HB2 PRO 7 1.587 -5.491 -15.531 53 HB3 PRO 7 HB1 PRO 7 2.194 -6.991 -16.261 54 HG2 PRO 7 HG2 PRO 7 -0.392 -6.623 -15.975 55 HG3 PRO 7 HG1 PRO 7 0.326 -8.206 -15.615 56 HD2 PRO 7 HD2 PRO 7 -0.640 -6.098 -13.717 57 HD3 PRO 7 HD1 PRO 7 -0.703 -7.874 -13.591 58 H ALA 8 HN ALA 8 2.132 -5.257 -12.191 59 HA ALA 8 HA ALA 8 4.819 -4.055 -12.616 60 HB1 ALA 8 HB1 ALA 8 3.891 -1.915 -12.017 61 HB2 ALA 8 HB2 ALA 8 2.317 -2.640 -11.689 62 HB3 ALA 8 HB3 ALA 8 2.937 -2.584 -13.339 63 H CYS 9 HN CYS 9 5.951 -4.877 -10.928 64 HA CYS 9 HA CYS 9 6.016 -3.905 -8.451 65 HB2 CYS 9 HB2 CYS 9 4.798 -5.748 -7.068 66 HB3 CYS 9 HB1 CYS 9 3.835 -4.433 -7.733 67 HG CYS 9 HG CYS 9 2.861 -6.000 -9.486 68 H ILE 10 HN ILE 10 6.875 -6.037 -10.695 69 HA ILE 10 HA ILE 10 7.881 -8.199 -9.169 70 HB ILE 10 HB ILE 10 8.959 -7.127 -11.783 71 HG12 ILE 10 2HG1 ILE 10 6.566 -7.477 -12.028 72 HG13 ILE 10 1HG1 ILE 10 7.408 -8.807 -12.816 73 HG21 ILE 10 1HG2 ILE 10 9.641 -9.482 -12.107 74 HG22 ILE 10 2HG2 ILE 10 9.018 -9.873 -10.504 75 HG23 ILE 10 3HG2 ILE 10 10.392 -8.779 -10.675 76 HD11 ILE 10 3HD1 ILE 10 5.874 -8.811 -10.228 77 HD12 ILE 10 1HD1 ILE 10 7.128 -10.019 -10.507 78 HD13 ILE 10 2HD1 ILE 10 5.745 -9.916 -11.595 79 H ALA 11 HN ALA 11 9.257 -5.132 -10.259 80 HA ALA 11 HA ALA 11 11.702 -5.608 -8.669 81 HB1 ALA 11 HB1 ALA 11 12.700 -3.867 -9.963 82 HB2 ALA 11 HB2 ALA 11 11.137 -3.355 -10.598 83 HB3 ALA 11 HB3 ALA 11 11.827 -4.899 -11.097 84 H GLY 12 HN GLY 12 12.465 -3.965 -7.227 85 HA2 GLY 12 HA2 GLY 12 12.293 -2.104 -5.822 86 HA3 GLY 12 HA1 GLY 12 10.715 -1.749 -6.518 87 H GLU 13 HN GLU 13 10.868 -4.975 -5.731 88 HA GLU 13 HA GLU 13 10.229 -4.792 -2.924 89 HB2 GLU 13 HB2 GLU 13 7.890 -5.510 -3.164 90 HB3 GLU 13 HB1 GLU 13 8.150 -3.942 -3.932 91 HG2 GLU 13 HG2 GLU 13 6.965 -5.097 -5.592 92 HG3 GLU 13 HG1 GLU 13 8.629 -5.355 -6.088 93 H ARG 14 HN ARG 14 9.020 -7.038 -2.372 94 HA ARG 14 HA ARG 14 10.344 -9.220 -3.878 95 HB2 ARG 14 HB2 ARG 14 10.301 -8.790 -0.889 96 HB3 ARG 14 HB1 ARG 14 10.738 -10.321 -1.649 97 HG2 ARG 14 HG2 ARG 14 12.547 -9.217 -2.882 98 HG3 ARG 14 HG1 ARG 14 12.098 -7.664 -2.175 99 HD2 ARG 14 HD2 ARG 14 12.563 -8.540 0.072 100 HD3 ARG 14 HD1 ARG 14 12.989 -10.103 -0.618 101 HE ARG 14 HE ARG 14 14.539 -7.947 -1.726 102 HH11 ARG 14 1HH2 ARG 14 14.152 -10.112 0.942 103 HH12 ARG 14 2HH2 ARG 14 15.832 -10.118 1.363 104 HH21 ARG 14 1HH1 ARG 14 16.747 -7.950 -1.185 105 HH22 ARG 14 2HH1 ARG 14 17.302 -8.893 0.157 106 H ARG 15 HN ARG 15 9.292 -11.246 -3.770 107 HA ARG 15 HA ARG 15 6.409 -11.033 -3.444 108 HB2 ARG 15 HB2 ARG 15 7.402 -12.165 -5.414 109 HB3 ARG 15 HB1 ARG 15 8.105 -13.372 -4.340 110 HG2 ARG 15 HG2 ARG 15 5.809 -13.969 -3.555 111 HG3 ARG 15 HG1 ARG 15 5.146 -12.815 -4.711 112 HD2 ARG 15 HD2 ARG 15 6.929 -15.136 -5.464 113 HD3 ARG 15 HD1 ARG 15 5.170 -15.167 -5.557 114 HE ARG 15 HE ARG 15 6.049 -12.913 -6.969 115 HH11 ARG 15 1HH2 ARG 15 6.259 -16.365 -7.076 116 HH12 ARG 15 2HH2 ARG 15 6.414 -16.439 -8.799 117 HH21 ARG 15 1HH1 ARG 15 6.258 -13.002 -9.228 118 HH22 ARG 15 2HH1 ARG 15 6.413 -14.536 -10.018 119 H TYR 16 HN TYR 16 5.850 -11.068 -1.314 120 HA TYR 16 HA TYR 16 6.925 -13.226 0.398 121 HB2 TYR 16 HB2 TYR 16 5.510 -10.626 0.994 122 HB3 TYR 16 HB1 TYR 16 5.740 -11.877 2.215 123 HD1 TYR 16 HD2 TYR 16 8.219 -12.856 2.328 124 HD2 TYR 16 HD1 TYR 16 7.169 -8.978 0.805 125 HE1 TYR 16 HE2 TYR 16 10.533 -12.069 2.735 126 HE2 TYR 16 HE1 TYR 16 9.485 -8.190 1.217 127 HH TYR 16 HH TYR 16 11.552 -9.506 3.177 128 H GLY 17 HN GLY 17 3.951 -11.778 1.265 129 HA2 GLY 17 HA2 GLY 17 2.570 -14.211 1.495 130 HA3 GLY 17 HA1 GLY 17 1.818 -12.616 1.486 131 H THR 18 HN THR 18 2.089 -15.511 -0.155 132 HA THR 18 HA THR 18 1.379 -14.341 -2.768 133 HB THR 18 HB THR 18 3.015 -15.911 -3.218 134 HG1 THR 18 HG1 THR 18 1.620 -18.021 -3.452 135 HG21 THR 18 3HG2 THR 18 3.165 -18.081 -1.962 136 HG22 THR 18 1HG2 THR 18 1.845 -17.521 -0.936 137 HG23 THR 18 2HG2 THR 18 3.382 -16.656 -0.946 138 H CYS 19 HN CYS 19 -0.665 -14.273 -3.361 139 HA CYS 19 HA CYS 19 -2.672 -15.892 -1.921 140 HB2 CYS 19 HB2 CYS 19 -4.246 -14.232 -2.443 141 HB3 CYS 19 HB1 CYS 19 -2.782 -13.306 -2.126 142 HG CYS 19 HG CYS 19 -3.771 -12.448 -4.395 143 H ILE 20 HN ILE 20 -3.772 -17.492 -2.955 144 HA ILE 20 HA ILE 20 -3.011 -18.095 -5.705 145 HB ILE 20 HB ILE 20 -5.041 -19.594 -4.045 146 HG12 ILE 20 2HG1 ILE 20 -3.077 -19.384 -2.633 147 HG13 ILE 20 1HG1 ILE 20 -3.106 -21.012 -3.307 148 HG21 ILE 20 1HG2 ILE 20 -3.083 -20.437 -6.204 149 HG22 ILE 20 2HG2 ILE 20 -4.807 -20.158 -6.448 150 HG23 ILE 20 3HG2 ILE 20 -4.265 -21.481 -5.416 151 HD11 ILE 20 3HD1 ILE 20 -1.370 -18.682 -4.145 152 HD12 ILE 20 1HD1 ILE 20 -1.577 -20.108 -5.163 153 HD13 ILE 20 2HD1 ILE 20 -0.859 -20.265 -3.562 154 H TYR 21 HN TYR 21 -4.020 -17.118 -7.310 155 HA TYR 21 HA TYR 21 -6.946 -17.024 -7.363 156 HB2 TYR 21 HB2 TYR 21 -6.316 -14.872 -6.361 157 HB3 TYR 21 HB1 TYR 21 -5.216 -14.559 -7.703 158 HD1 TYR 21 HD2 TYR 21 -8.803 -15.238 -6.899 159 HD2 TYR 21 HD1 TYR 21 -6.005 -13.572 -9.702 160 HE1 TYR 21 HE2 TYR 21 -10.680 -14.288 -8.210 161 HE2 TYR 21 HE1 TYR 21 -7.883 -12.621 -11.012 162 HH TYR 21 HH TYR 21 -10.076 -12.311 -11.116 163 H GLN 22 HN GLN 22 -7.415 -17.998 -9.231 164 HA GLN 22 HA GLN 22 -7.247 -18.720 -11.415 165 HB2 GLN 22 HB2 GLN 22 -6.410 -15.825 -11.660 166 HB3 GLN 22 HB1 GLN 22 -6.748 -16.865 -13.044 167 HG2 GLN 22 HG2 GLN 22 -9.024 -17.261 -12.215 168 HG3 GLN 22 HG1 GLN 22 -8.693 -16.270 -10.796 169 HE21 GLN 22 1HE2 GLN 22 -6.982 -14.577 -12.901 170 HE22 GLN 22 2HE2 GLN 22 -8.168 -13.564 -13.570 171 H GLY 23 HN GLY 23 -4.782 -18.802 -9.615 172 HA2 GLY 23 HA2 GLY 23 -2.747 -19.905 -9.966 173 HA3 GLY 23 HA1 GLY 23 -2.932 -19.656 -11.698 174 H ARG 24 HN ARG 24 -3.251 -17.031 -9.387 175 HA ARG 24 HA ARG 24 -0.630 -15.938 -10.278 176 HB2 ARG 24 HB2 ARG 24 -3.275 -14.519 -9.922 177 HB3 ARG 24 HB1 ARG 24 -1.733 -13.679 -10.085 178 HG2 ARG 24 HG2 ARG 24 -1.355 -14.747 -12.260 179 HG3 ARG 24 HG1 ARG 24 -2.863 -15.649 -12.094 180 HD2 ARG 24 HD2 ARG 24 -4.126 -13.533 -12.027 181 HD3 ARG 24 HD1 ARG 24 -2.623 -12.629 -12.186 182 HE ARG 24 HE ARG 24 -2.697 -14.374 -14.343 183 HH11 ARG 24 1HH2 ARG 24 -4.625 -11.822 -13.020 184 HH12 ARG 24 2HH2 ARG 24 -5.234 -11.300 -14.556 185 HH21 ARG 24 1HH1 ARG 24 -3.492 -13.695 -16.359 186 HH22 ARG 24 2HH1 ARG 24 -4.592 -12.361 -16.446 187 H LEU 25 HN LEU 25 0.729 -15.631 -8.658 188 HA LEU 25 HA LEU 25 -0.120 -15.770 -5.896 189 HB2 LEU 25 HB2 LEU 25 2.650 -15.036 -6.839 190 HB3 LEU 25 HB1 LEU 25 2.174 -15.883 -5.374 191 HG LEU 25 HG LEU 25 2.061 -16.938 -8.207 192 HD11 LEU 25 1HD1 LEU 25 3.588 -17.797 -5.732 193 HD12 LEU 25 2HD1 LEU 25 4.272 -17.025 -7.163 194 HD13 LEU 25 3HD1 LEU 25 3.601 -18.653 -7.274 195 HD21 LEU 25 3HD2 LEU 25 0.088 -17.773 -7.133 196 HD22 LEU 25 1HD2 LEU 25 0.953 -18.067 -5.627 197 HD23 LEU 25 2HD2 LEU 25 1.283 -19.068 -7.037 198 H TRP 26 HN TRP 26 0.572 -14.111 -4.295 199 HA TRP 26 HA TRP 26 0.105 -11.396 -5.338 200 HB2 TRP 26 HB2 TRP 26 -1.371 -11.728 -3.542 201 HB3 TRP 26 HB1 TRP 26 -0.223 -12.702 -2.656 202 HD1 TRP 26 HD1 TRP 26 0.559 -9.202 -3.989 203 HE1 TRP 26 HE1 TRP 26 1.056 -7.655 -1.982 204 HE3 TRP 26 HE3 TRP 26 -0.616 -12.346 -0.157 205 HZ2 TRP 26 HZ2 TRP 26 0.953 -7.751 0.879 206 HZ3 TRP 26 HZ3 TRP 26 -0.425 -11.594 2.196 207 HH2 TRP 26 HH2 TRP 26 0.355 -9.301 2.718 208 H ALA 27 HN ALA 27 1.800 -10.197 -5.767 209 HA ALA 27 HA ALA 27 4.338 -10.680 -4.354 210 HB1 ALA 27 HB1 ALA 27 5.339 -9.253 -6.086 211 HB2 ALA 27 HB2 ALA 27 3.744 -8.949 -6.772 212 HB3 ALA 27 HB3 ALA 27 4.434 -10.572 -6.827 213 H PHE 28 HN PHE 28 5.383 -8.877 -3.290 214 HA PHE 28 HA PHE 28 3.433 -7.170 -2.030 215 HB2 PHE 28 HB2 PHE 28 5.439 -8.117 -0.888 216 HB3 PHE 28 HB1 PHE 28 6.453 -7.079 -1.888 217 HD1 PHE 28 HD2 PHE 28 6.323 -4.611 -1.676 218 HD2 PHE 28 HD1 PHE 28 4.172 -7.233 0.960 219 HE1 PHE 28 HE2 PHE 28 6.002 -2.742 -0.081 220 HE2 PHE 28 HE1 PHE 28 3.851 -5.361 2.557 221 HZ PHE 28 HZ PHE 28 4.771 -3.117 2.038 222 H CYS 29 HN CYS 29 2.539 -5.784 -3.370 223 HA CYS 29 HA CYS 29 4.120 -4.190 -5.250 224 HB2 CYS 29 HB2 CYS 29 1.134 -4.402 -4.818 225 HB3 CYS 29 HB1 CYS 29 1.939 -3.594 -6.166 226 HG CYS 29 HG CYS 29 3.011 -6.306 -6.219 227 H CYS 30 HN CYS 30 4.245 -1.980 -5.179 228 HA CYS 30 HA CYS 30 4.124 0.160 -4.354 229 HB2 CYS 30 HB2 CYS 30 2.173 -0.655 -2.213 230 HB3 CYS 30 HB1 CYS 30 2.276 0.856 -3.117 231 HG CYS 30 HG CYS 30 1.476 -0.654 -5.257 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -2.575 -0.324 1.026 2 H2 ALA 1 HT2 ALA 1 -0.915 0.029 1.097 3 H3 ALA 1 HT3 ALA 1 -1.844 0.007 2.519 4 HA ALA 1 HA ALA 1 -0.693 -2.009 2.560 5 HB1 ALA 1 HB1 ALA 1 -3.208 -2.121 2.907 6 HB2 ALA 1 HB2 ALA 1 -2.461 -3.640 2.409 7 HB3 ALA 1 HB3 ALA 1 -3.339 -2.662 1.234 8 H CYS 2 HN CYS 2 -0.729 -4.282 1.228 9 HA CYS 2 HA CYS 2 0.484 -3.614 -1.383 10 HB2 CYS 2 HB2 CYS 2 0.836 -5.850 0.578 11 HB3 CYS 2 HB1 CYS 2 1.196 -6.157 -1.123 12 HG CYS 2 HG CYS 2 3.080 -4.453 -1.058 13 H TYR 3 HN TYR 3 -0.134 -4.506 -3.224 14 HA TYR 3 HA TYR 3 -2.771 -5.791 -3.248 15 HB2 TYR 3 HB2 TYR 3 -1.054 -4.581 -5.438 16 HB3 TYR 3 HB1 TYR 3 -2.607 -5.375 -5.717 17 HD1 TYR 3 HD2 TYR 3 -4.701 -4.408 -4.853 18 HD2 TYR 3 HD1 TYR 3 -0.933 -2.413 -4.318 19 HE1 TYR 3 HE2 TYR 3 -5.892 -2.329 -4.210 20 HE2 TYR 3 HE1 TYR 3 -2.126 -0.336 -3.672 21 HH TYR 3 HH TYR 3 -4.123 0.534 -3.094 22 H CYS 4 HN CYS 4 -2.635 -7.304 -5.430 23 HA CYS 4 HA CYS 4 -0.965 -9.517 -4.566 24 HB2 CYS 4 HB2 CYS 4 -3.449 -9.587 -5.239 25 HB3 CYS 4 HB1 CYS 4 -2.852 -9.516 -6.896 26 HG CYS 4 HG CYS 4 -2.277 -11.912 -6.728 27 H ARG 5 HN ARG 5 -0.198 -10.863 -6.761 28 HA ARG 5 HA ARG 5 1.715 -8.996 -8.000 29 HB2 ARG 5 HB2 ARG 5 2.494 -11.187 -7.030 30 HB3 ARG 5 HB1 ARG 5 1.588 -11.998 -8.299 31 HG2 ARG 5 HG2 ARG 5 2.905 -10.766 -10.008 32 HG3 ARG 5 HG1 ARG 5 3.883 -10.075 -8.708 33 HD2 ARG 5 HD2 ARG 5 4.364 -12.398 -7.921 34 HD3 ARG 5 HD1 ARG 5 3.522 -13.011 -9.338 35 HE ARG 5 HE ARG 5 5.623 -11.181 -10.044 36 HH11 ARG 5 1HH2 ARG 5 4.805 -14.397 -9.094 37 HH12 ARG 5 2HH2 ARG 5 6.225 -15.120 -9.770 38 HH21 ARG 5 1HH1 ARG 5 7.511 -12.123 -10.951 39 HH22 ARG 5 2HH1 ARG 5 7.761 -13.832 -10.820 40 H ILE 6 HN ILE 6 1.078 -8.079 -9.684 41 HA ILE 6 HA ILE 6 -0.216 -9.575 -11.866 42 HB ILE 6 HB ILE 6 -1.083 -7.162 -12.447 43 HG12 ILE 6 2HG1 ILE 6 0.322 -6.352 -10.315 44 HG13 ILE 6 1HG1 ILE 6 -1.195 -5.580 -10.748 45 HG21 ILE 6 1HG2 ILE 6 -2.685 -8.855 -12.030 46 HG22 ILE 6 2HG2 ILE 6 -3.097 -7.568 -10.899 47 HG23 ILE 6 3HG2 ILE 6 -2.228 -8.997 -10.333 48 HD11 ILE 6 3HD1 ILE 6 -2.387 -6.701 -9.053 49 HD12 ILE 6 1HD1 ILE 6 -0.864 -6.254 -8.292 50 HD13 ILE 6 2HD1 ILE 6 -1.128 -7.911 -8.837 51 HA PRO 7 HA PRO 7 3.752 -8.411 -13.579 52 HB2 PRO 7 HB2 PRO 7 2.213 -7.992 -16.114 53 HB3 PRO 7 HB1 PRO 7 3.717 -8.895 -15.844 54 HG2 PRO 7 HG2 PRO 7 1.376 -10.144 -16.181 55 HG3 PRO 7 HG1 PRO 7 2.616 -10.764 -15.074 56 HD2 PRO 7 HD2 PRO 7 0.027 -9.418 -14.427 57 HD3 PRO 7 HD1 PRO 7 0.966 -10.595 -13.477 58 H ALA 8 HN ALA 8 3.959 -6.542 -12.459 59 HA ALA 8 HA ALA 8 3.482 -4.034 -13.864 60 HB1 ALA 8 HB1 ALA 8 2.249 -3.018 -12.064 61 HB2 ALA 8 HB2 ALA 8 2.464 -4.438 -11.042 62 HB3 ALA 8 HB3 ALA 8 1.421 -4.525 -12.461 63 H CYS 9 HN CYS 9 4.113 -2.348 -11.732 64 HA CYS 9 HA CYS 9 6.901 -2.432 -11.648 65 HB2 CYS 9 HB2 CYS 9 6.714 -0.821 -9.787 66 HB3 CYS 9 HB1 CYS 9 5.592 -0.423 -11.090 67 HG CYS 9 HG CYS 9 4.523 -2.097 -8.690 68 H ILE 10 HN ILE 10 7.166 -4.784 -11.207 69 HA ILE 10 HA ILE 10 6.514 -5.862 -8.661 70 HB ILE 10 HB ILE 10 6.997 -7.124 -10.842 71 HG12 ILE 10 2HG1 ILE 10 8.139 -9.012 -9.549 72 HG13 ILE 10 1HG1 ILE 10 8.237 -7.901 -8.185 73 HG21 ILE 10 1HG2 ILE 10 9.858 -6.924 -9.889 74 HG22 ILE 10 2HG2 ILE 10 9.209 -5.896 -11.166 75 HG23 ILE 10 3HG2 ILE 10 9.261 -7.646 -11.383 76 HD11 ILE 10 3HD1 ILE 10 5.557 -8.269 -9.500 77 HD12 ILE 10 1HD1 ILE 10 5.948 -7.937 -7.812 78 HD13 ILE 10 2HD1 ILE 10 6.167 -9.557 -8.465 79 H ALA 11 HN ALA 11 9.405 -4.359 -10.019 80 HA ALA 11 HA ALA 11 11.179 -4.875 -7.902 81 HB1 ALA 11 HB1 ALA 11 11.787 -3.952 -10.165 82 HB2 ALA 11 HB2 ALA 11 12.533 -3.107 -8.809 83 HB3 ALA 11 HB3 ALA 11 11.147 -2.397 -9.636 84 H GLY 12 HN GLY 12 12.111 -3.017 -6.534 85 HA2 GLY 12 HA2 GLY 12 11.781 -1.122 -5.152 86 HA3 GLY 12 HA1 GLY 12 10.059 -1.165 -5.524 87 H GLU 13 HN GLU 13 10.108 -4.150 -5.069 88 HA GLU 13 HA GLU 13 10.745 -4.521 -2.288 89 HB2 GLU 13 HB2 GLU 13 8.566 -3.165 -2.323 90 HB3 GLU 13 HB1 GLU 13 7.810 -4.609 -2.992 91 HG2 GLU 13 HG2 GLU 13 7.503 -4.687 -0.606 92 HG3 GLU 13 HG1 GLU 13 8.721 -5.891 -1.010 93 H ARG 14 HN ARG 14 10.425 -6.721 -1.614 94 HA ARG 14 HA ARG 14 10.221 -8.598 -3.892 95 HB2 ARG 14 HB2 ARG 14 11.453 -8.896 -1.147 96 HB3 ARG 14 HB1 ARG 14 11.334 -10.197 -2.331 97 HG2 ARG 14 HG2 ARG 14 12.639 -8.859 -3.939 98 HG3 ARG 14 HG1 ARG 14 12.761 -7.556 -2.756 99 HD2 ARG 14 HD2 ARG 14 13.771 -10.376 -2.300 100 HD3 ARG 14 HD1 ARG 14 14.785 -9.027 -2.807 101 HE ARG 14 HE ARG 14 13.678 -9.468 -0.156 102 HH11 ARG 14 1HH2 ARG 14 15.048 -7.254 -2.434 103 HH12 ARG 14 2HH2 ARG 14 15.577 -6.126 -1.231 104 HH21 ARG 14 1HH1 ARG 14 14.367 -7.993 1.429 105 HH22 ARG 14 2HH1 ARG 14 15.191 -6.545 0.957 106 H ARG 15 HN ARG 15 9.091 -10.576 -3.623 107 HA ARG 15 HA ARG 15 6.632 -10.264 -2.087 108 HB2 ARG 15 HB2 ARG 15 5.874 -12.225 -3.336 109 HB3 ARG 15 HB1 ARG 15 6.538 -11.010 -4.430 110 HG2 ARG 15 HG2 ARG 15 8.670 -12.245 -4.509 111 HG3 ARG 15 HG1 ARG 15 8.006 -13.464 -3.418 112 HD2 ARG 15 HD2 ARG 15 6.236 -13.979 -5.038 113 HD3 ARG 15 HD1 ARG 15 6.860 -12.741 -6.124 114 HE ARG 15 HE ARG 15 8.633 -14.167 -6.687 115 HH11 ARG 15 1HH2 ARG 15 6.756 -15.401 -4.051 116 HH12 ARG 15 2HH2 ARG 15 7.452 -16.986 -4.120 117 HH21 ARG 15 1HH1 ARG 15 9.546 -16.239 -6.783 118 HH22 ARG 15 2HH1 ARG 15 9.031 -17.461 -5.668 119 H TYR 16 HN TYR 16 5.988 -11.518 -0.408 120 HA TYR 16 HA TYR 16 8.006 -13.348 0.764 121 HB2 TYR 16 HB2 TYR 16 5.746 -11.783 2.034 122 HB3 TYR 16 HB1 TYR 16 6.752 -12.953 2.889 123 HD1 TYR 16 HD1 TYR 16 9.232 -12.572 3.062 124 HD2 TYR 16 HD2 TYR 16 6.544 -9.583 1.547 125 HE1 TYR 16 HE1 TYR 16 10.969 -10.835 3.406 126 HE2 TYR 16 HE2 TYR 16 8.281 -7.846 1.892 127 HH TYR 16 HH TYR 16 10.824 -8.147 3.807 128 H GLY 17 HN GLY 17 4.467 -12.939 0.871 129 HA2 GLY 17 HA2 GLY 17 4.140 -15.873 0.837 130 HA3 GLY 17 HA1 GLY 17 2.919 -14.695 1.315 131 H THR 18 HN THR 18 2.268 -16.689 -0.470 132 HA THR 18 HA THR 18 1.785 -15.126 -2.934 133 HB THR 18 HB THR 18 3.491 -16.537 -3.700 134 HG1 THR 18 HG1 THR 18 1.035 -16.966 -4.433 135 HG21 THR 18 3HG2 THR 18 3.877 -17.940 -1.818 136 HG22 THR 18 1HG2 THR 18 3.429 -19.033 -3.128 137 HG23 THR 18 2HG2 THR 18 2.249 -18.611 -1.888 138 H CYS 19 HN CYS 19 -0.300 -15.013 -3.368 139 HA CYS 19 HA CYS 19 -2.152 -16.957 -2.126 140 HB2 CYS 19 HB2 CYS 19 -3.845 -15.314 -2.326 141 HB3 CYS 19 HB1 CYS 19 -2.418 -14.424 -1.800 142 HG CYS 19 HG CYS 19 -3.640 -14.314 -4.661 143 H ILE 20 HN ILE 20 -3.209 -18.412 -3.370 144 HA ILE 20 HA ILE 20 -2.763 -18.296 -6.282 145 HB ILE 20 HB ILE 20 -4.100 -20.540 -4.768 146 HG12 ILE 20 2HG1 ILE 20 -2.009 -20.148 -3.598 147 HG13 ILE 20 1HG1 ILE 20 -1.809 -21.563 -4.627 148 HG21 ILE 20 1HG2 ILE 20 -3.304 -21.874 -6.630 149 HG22 ILE 20 2HG2 ILE 20 -2.374 -20.515 -7.263 150 HG23 ILE 20 3HG2 ILE 20 -4.137 -20.462 -7.280 151 HD11 ILE 20 3HD1 ILE 20 0.152 -20.236 -4.952 152 HD12 ILE 20 1HD1 ILE 20 -0.791 -18.756 -5.119 153 HD13 ILE 20 2HD1 ILE 20 -0.838 -19.981 -6.388 154 H TYR 21 HN TYR 21 -4.249 -17.344 -7.477 155 HA TYR 21 HA TYR 21 -7.028 -18.019 -7.275 156 HB2 TYR 21 HB2 TYR 21 -6.913 -16.392 -5.440 157 HB3 TYR 21 HB1 TYR 21 -6.187 -15.208 -6.528 158 HD1 TYR 21 HD2 TYR 21 -9.229 -17.320 -6.039 159 HD2 TYR 21 HD1 TYR 21 -7.546 -13.826 -7.888 160 HE1 TYR 21 HE2 TYR 21 -11.490 -16.620 -6.776 161 HE2 TYR 21 HE1 TYR 21 -9.809 -13.127 -8.625 162 HH TYR 21 HH TYR 21 -12.059 -13.482 -8.235 163 H GLN 22 HN GLN 22 -7.805 -17.965 -9.287 164 HA GLN 22 HA GLN 22 -7.959 -17.538 -11.544 165 HB2 GLN 22 HB2 GLN 22 -8.521 -15.275 -10.446 166 HB3 GLN 22 HB1 GLN 22 -6.890 -14.791 -10.903 167 HG2 GLN 22 HG2 GLN 22 -7.369 -15.175 -13.250 168 HG3 GLN 22 HG1 GLN 22 -8.939 -15.871 -12.858 169 HE21 GLN 22 1HE2 GLN 22 -8.731 -13.607 -14.585 170 HE22 GLN 22 2HE2 GLN 22 -9.402 -12.265 -13.789 171 H GLY 23 HN GLY 23 -5.233 -18.102 -10.084 172 HA2 GLY 23 HA2 GLY 23 -3.226 -18.870 -10.986 173 HA3 GLY 23 HA1 GLY 23 -3.673 -18.163 -12.533 174 H ARG 24 HN ARG 24 -3.804 -16.251 -9.612 175 HA ARG 24 HA ARG 24 -1.390 -14.752 -10.491 176 HB2 ARG 24 HB2 ARG 24 -3.945 -13.744 -9.216 177 HB3 ARG 24 HB1 ARG 24 -2.501 -12.760 -9.471 178 HG2 ARG 24 HG2 ARG 24 -2.618 -13.179 -11.891 179 HG3 ARG 24 HG1 ARG 24 -4.033 -14.205 -11.656 180 HD2 ARG 24 HD2 ARG 24 -3.920 -11.294 -10.833 181 HD3 ARG 24 HD1 ARG 24 -4.575 -11.849 -12.370 182 HE ARG 24 HE ARG 24 -5.843 -13.297 -10.327 183 HH11 ARG 24 1HH2 ARG 24 -5.539 -10.058 -11.509 184 HH12 ARG 24 2HH2 ARG 24 -7.112 -9.569 -10.972 185 HH21 ARG 24 1HH1 ARG 24 -7.905 -12.661 -9.622 186 HH22 ARG 24 2HH1 ARG 24 -8.451 -11.042 -9.904 187 H LEU 25 HN LEU 25 0.147 -14.320 -9.024 188 HA LEU 25 HA LEU 25 -0.095 -15.533 -6.353 189 HB2 LEU 25 HB2 LEU 25 2.380 -14.389 -7.662 190 HB3 LEU 25 HB1 LEU 25 2.295 -15.473 -6.281 191 HG LEU 25 HG LEU 25 2.900 -16.823 -8.160 192 HD11 LEU 25 1HD1 LEU 25 -0.072 -17.270 -7.921 193 HD12 LEU 25 2HD1 LEU 25 1.027 -17.603 -6.585 194 HD13 LEU 25 3HD1 LEU 25 1.208 -18.468 -8.108 195 HD21 LEU 25 3HD2 LEU 25 1.687 -14.976 -9.771 196 HD22 LEU 25 1HD2 LEU 25 0.471 -16.257 -9.804 197 HD23 LEU 25 2HD2 LEU 25 2.123 -16.596 -10.304 198 H TRP 26 HN TRP 26 0.946 -14.321 -4.498 199 HA TRP 26 HA TRP 26 0.149 -11.480 -4.644 200 HB2 TRP 26 HB2 TRP 26 -0.875 -12.809 -2.851 201 HB3 TRP 26 HB1 TRP 26 0.723 -13.196 -2.234 202 HD1 TRP 26 HD1 TRP 26 2.202 -11.092 -1.306 203 HE1 TRP 26 HE1 TRP 26 1.403 -8.950 -0.115 204 HE3 TRP 26 HE3 TRP 26 -2.713 -11.100 -2.681 205 HZ2 TRP 26 HZ2 TRP 26 -1.003 -7.450 0.223 206 HZ3 TRP 26 HZ3 TRP 26 -4.238 -9.305 -1.909 207 HH2 TRP 26 HH2 TRP 26 -3.392 -7.479 -0.461 208 H ALA 27 HN ALA 27 1.747 -10.206 -5.193 209 HA ALA 27 HA ALA 27 4.367 -10.562 -3.850 210 HB1 ALA 27 HB1 ALA 27 3.748 -9.279 -6.527 211 HB2 ALA 27 HB2 ALA 27 4.653 -10.775 -6.270 212 HB3 ALA 27 HB3 ALA 27 5.322 -9.235 -5.732 213 H PHE 28 HN PHE 28 5.265 -8.696 -2.932 214 HA PHE 28 HA PHE 28 3.253 -6.790 -2.101 215 HB2 PHE 28 HB2 PHE 28 6.178 -7.235 -1.513 216 HB3 PHE 28 HB1 PHE 28 5.380 -5.748 -1.002 217 HD1 PHE 28 HD1 PHE 28 4.568 -9.425 -1.049 218 HD2 PHE 28 HD2 PHE 28 4.608 -5.767 1.209 219 HE1 PHE 28 HE1 PHE 28 3.620 -10.617 0.906 220 HE2 PHE 28 HE2 PHE 28 3.655 -6.963 3.161 221 HZ PHE 28 HZ PHE 28 3.160 -9.388 3.007 222 H CYS 29 HN CYS 29 2.607 -5.554 -3.716 223 HA CYS 29 HA CYS 29 4.606 -4.027 -5.287 224 HB2 CYS 29 HB2 CYS 29 3.060 -5.732 -6.463 225 HB3 CYS 29 HB1 CYS 29 1.760 -4.588 -6.123 226 HG CYS 29 HG CYS 29 3.221 -2.768 -7.473 227 H CYS 30 HN CYS 30 4.646 -1.933 -4.856 228 HA CYS 30 HA CYS 30 2.539 -0.162 -4.733 229 HB2 CYS 30 HB2 CYS 30 2.644 0.203 -2.107 230 HB3 CYS 30 HB1 CYS 30 1.546 -0.990 -2.796 231 HG CYS 30 HG CYS 30 3.013 -2.084 -0.857 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -2.134 0.206 -0.042 2 H2 ALA 1 HT2 ALA 1 -2.658 0.541 1.540 3 H3 ALA 1 HT3 ALA 1 -3.733 -0.133 0.410 4 HA ALA 1 HA ALA 1 -1.779 -1.415 2.084 5 HB1 ALA 1 HB1 ALA 1 -3.304 -3.268 1.854 6 HB2 ALA 1 HB2 ALA 1 -4.052 -2.544 0.430 7 HB3 ALA 1 HB3 ALA 1 -4.279 -1.807 2.016 8 H CYS 2 HN CYS 2 -1.465 -3.857 1.049 9 HA CYS 2 HA CYS 2 0.232 -3.362 -1.311 10 HB2 CYS 2 HB2 CYS 2 0.226 -5.578 0.744 11 HB3 CYS 2 HB1 CYS 2 1.242 -5.576 -0.698 12 HG CYS 2 HG CYS 2 1.737 -3.916 1.805 13 H TYR 3 HN TYR 3 -0.271 -4.126 -3.217 14 HA TYR 3 HA TYR 3 -2.603 -5.879 -3.510 15 HB2 TYR 3 HB2 TYR 3 -0.959 -4.323 -5.523 16 HB3 TYR 3 HB1 TYR 3 -2.336 -5.346 -5.938 17 HD1 TYR 3 HD1 TYR 3 -1.271 -2.263 -4.203 18 HD2 TYR 3 HD2 TYR 3 -4.605 -4.693 -5.398 19 HE1 TYR 3 HE1 TYR 3 -2.822 -0.408 -3.651 20 HE2 TYR 3 HE2 TYR 3 -6.155 -2.838 -4.847 21 HH TYR 3 HH TYR 3 -5.082 0.016 -3.167 22 H CYS 4 HN CYS 4 -2.511 -7.796 -4.752 23 HA CYS 4 HA CYS 4 0.030 -9.212 -4.490 24 HB2 CYS 4 HB2 CYS 4 -2.502 -10.392 -5.617 25 HB3 CYS 4 HB1 CYS 4 -1.215 -11.185 -4.706 26 HG CYS 4 HG CYS 4 -3.522 -9.523 -3.486 27 H ARG 5 HN ARG 5 1.066 -10.256 -6.252 28 HA ARG 5 HA ARG 5 0.301 -9.267 -8.942 29 HB2 ARG 5 HB2 ARG 5 2.436 -8.304 -7.546 30 HB3 ARG 5 HB1 ARG 5 3.213 -9.619 -8.420 31 HG2 ARG 5 HG2 ARG 5 3.422 -7.856 -9.939 32 HG3 ARG 5 HG1 ARG 5 1.934 -8.619 -10.495 33 HD2 ARG 5 HD2 ARG 5 0.617 -6.986 -9.170 34 HD3 ARG 5 HD1 ARG 5 2.114 -6.221 -8.649 35 HE ARG 5 HE ARG 5 2.291 -6.154 -11.363 36 HH11 ARG 5 1HH2 ARG 5 -0.133 -5.260 -9.066 37 HH12 ARG 5 2HH2 ARG 5 -0.758 -3.961 -10.026 38 HH21 ARG 5 1HH1 ARG 5 1.494 -4.452 -12.620 39 HH22 ARG 5 2HH1 ARG 5 0.167 -3.501 -12.042 40 H ILE 6 HN ILE 6 1.611 -10.364 -10.610 41 HA ILE 6 HA ILE 6 1.549 -13.267 -10.150 42 HB ILE 6 HB ILE 6 1.885 -12.967 -12.845 43 HG12 ILE 6 2HG1 ILE 6 0.092 -10.655 -12.108 44 HG13 ILE 6 1HG1 ILE 6 1.818 -10.430 -12.400 45 HG21 ILE 6 1HG2 ILE 6 -0.769 -12.749 -11.395 46 HG22 ILE 6 2HG2 ILE 6 0.085 -14.254 -11.737 47 HG23 ILE 6 3HG2 ILE 6 -0.545 -13.275 -13.062 48 HD11 ILE 6 3HD1 ILE 6 0.437 -10.075 -14.437 49 HD12 ILE 6 1HD1 ILE 6 -0.080 -11.757 -14.339 50 HD13 ILE 6 2HD1 ILE 6 1.618 -11.372 -14.620 51 HA PRO 7 HA PRO 7 5.920 -13.679 -10.169 52 HB2 PRO 7 HB2 PRO 7 5.742 -14.896 -12.901 53 HB3 PRO 7 HB1 PRO 7 6.665 -15.441 -11.482 54 HG2 PRO 7 HG2 PRO 7 4.425 -16.635 -12.041 55 HG3 PRO 7 HG1 PRO 7 4.742 -16.154 -10.363 56 HD2 PRO 7 HD2 PRO 7 2.942 -14.869 -12.383 57 HD3 PRO 7 HD1 PRO 7 2.687 -15.115 -10.641 58 H ALA 8 HN ALA 8 5.815 -11.336 -10.403 59 HA ALA 8 HA ALA 8 7.829 -10.402 -12.131 60 HB1 ALA 8 HB1 ALA 8 5.937 -10.586 -13.761 61 HB2 ALA 8 HB2 ALA 8 6.537 -8.943 -13.563 62 HB3 ALA 8 HB3 ALA 8 5.033 -9.440 -12.778 63 H CYS 9 HN CYS 9 8.760 -9.190 -10.525 64 HA CYS 9 HA CYS 9 7.145 -7.874 -8.553 65 HB2 CYS 9 HB2 CYS 9 10.070 -7.987 -9.173 66 HB3 CYS 9 HB1 CYS 9 9.476 -6.700 -8.121 67 HG CYS 9 HG CYS 9 8.488 -9.492 -7.316 68 H ILE 10 HN ILE 10 5.835 -6.989 -10.313 69 HA ILE 10 HA ILE 10 6.744 -4.879 -11.956 70 HB ILE 10 HB ILE 10 3.985 -5.675 -11.014 71 HG12 ILE 10 2HG1 ILE 10 5.211 -6.128 -13.739 72 HG13 ILE 10 1HG1 ILE 10 5.517 -7.245 -12.418 73 HG21 ILE 10 1HG2 ILE 10 4.911 -3.708 -13.121 74 HG22 ILE 10 2HG2 ILE 10 3.839 -3.399 -11.756 75 HG23 ILE 10 3HG2 ILE 10 3.285 -4.392 -13.102 76 HD11 ILE 10 3HD1 ILE 10 2.691 -6.454 -13.083 77 HD12 ILE 10 1HD1 ILE 10 3.273 -7.910 -12.277 78 HD13 ILE 10 2HD1 ILE 10 3.501 -7.713 -14.013 79 H ALA 11 HN ALA 11 5.765 -5.066 -8.648 80 HA ALA 11 HA ALA 11 5.165 -2.234 -8.392 81 HB1 ALA 11 HB1 ALA 11 4.490 -2.734 -6.217 82 HB2 ALA 11 HB2 ALA 11 5.614 -4.084 -6.068 83 HB3 ALA 11 HB3 ALA 11 4.170 -4.251 -7.057 84 H GLY 12 HN GLY 12 7.756 -4.458 -7.396 85 HA2 GLY 12 HA2 GLY 12 10.073 -3.691 -7.502 86 HA3 GLY 12 HA1 GLY 12 9.528 -2.115 -6.933 87 H GLU 13 HN GLU 13 8.629 -5.336 -5.760 88 HA GLU 13 HA GLU 13 10.146 -4.966 -3.284 89 HB2 GLU 13 HB2 GLU 13 8.223 -5.302 -1.847 90 HB3 GLU 13 HB1 GLU 13 7.946 -3.892 -2.868 91 HG2 GLU 13 HG2 GLU 13 6.677 -5.373 -4.447 92 HG3 GLU 13 HG1 GLU 13 6.830 -6.675 -3.272 93 H ARG 14 HN ARG 14 9.309 -7.045 -1.806 94 HA ARG 14 HA ARG 14 9.997 -9.351 -3.520 95 HB2 ARG 14 HB2 ARG 14 10.081 -8.953 -0.525 96 HB3 ARG 14 HB1 ARG 14 10.544 -10.438 -1.357 97 HG2 ARG 14 HG2 ARG 14 12.279 -9.236 -2.597 98 HG3 ARG 14 HG1 ARG 14 11.794 -7.719 -1.837 99 HD2 ARG 14 HD2 ARG 14 12.743 -10.152 -0.304 100 HD3 ARG 14 HD1 ARG 14 13.783 -8.799 -0.746 101 HE ARG 14 HE ARG 14 11.834 -8.839 1.374 102 HH11 ARG 14 1HH2 ARG 14 13.491 -6.894 -0.960 103 HH12 ARG 14 2HH2 ARG 14 13.307 -5.421 -0.068 104 HH21 ARG 14 1HH1 ARG 14 11.585 -6.910 2.549 105 HH22 ARG 14 2HH1 ARG 14 12.226 -5.429 1.920 106 H ARG 15 HN ARG 15 8.894 -11.301 -3.433 107 HA ARG 15 HA ARG 15 6.072 -11.108 -2.693 108 HB2 ARG 15 HB2 ARG 15 5.846 -13.231 -3.927 109 HB3 ARG 15 HB1 ARG 15 6.607 -11.985 -4.917 110 HG2 ARG 15 HG2 ARG 15 8.846 -12.945 -4.248 111 HG3 ARG 15 HG1 ARG 15 7.979 -14.273 -3.477 112 HD2 ARG 15 HD2 ARG 15 6.896 -14.814 -5.630 113 HD3 ARG 15 HD1 ARG 15 7.795 -13.510 -6.395 114 HE ARG 15 HE ARG 15 9.758 -14.798 -6.250 115 HH11 ARG 15 1HH2 ARG 15 7.047 -16.328 -4.716 116 HH12 ARG 15 2HH2 ARG 15 7.832 -17.864 -4.567 117 HH21 ARG 15 1HH1 ARG 15 10.783 -16.805 -6.043 118 HH22 ARG 15 2HH1 ARG 15 9.944 -18.134 -5.315 119 H TYR 16 HN TYR 16 5.251 -12.038 -0.907 120 HA TYR 16 HA TYR 16 6.603 -14.321 0.338 121 HB2 TYR 16 HB2 TYR 16 7.628 -12.374 1.431 122 HB3 TYR 16 HB1 TYR 16 6.027 -11.746 1.829 123 HD1 TYR 16 HD1 TYR 16 8.289 -14.676 2.335 124 HD2 TYR 16 HD2 TYR 16 4.872 -12.496 3.760 125 HE1 TYR 16 HE1 TYR 16 8.250 -16.074 4.384 126 HE2 TYR 16 HE2 TYR 16 4.834 -13.894 5.808 127 HH TYR 16 HH TYR 16 5.602 -15.971 6.629 128 H GLY 17 HN GLY 17 4.143 -11.983 1.409 129 HA2 GLY 17 HA2 GLY 17 2.297 -14.176 1.997 130 HA3 GLY 17 HA1 GLY 17 2.077 -12.475 2.408 131 H THR 18 HN THR 18 1.997 -14.796 -0.261 132 HA THR 18 HA THR 18 0.323 -12.910 -1.825 133 HB THR 18 HB THR 18 2.555 -13.871 -2.761 134 HG1 THR 18 HG1 THR 18 1.699 -13.611 -4.710 135 HG21 THR 18 3HG2 THR 18 2.527 -16.066 -3.651 136 HG22 THR 18 1HG2 THR 18 0.785 -16.220 -3.433 137 HG23 THR 18 2HG2 THR 18 1.855 -16.242 -2.031 138 H CYS 19 HN CYS 19 -1.438 -13.788 -3.019 139 HA CYS 19 HA CYS 19 -2.828 -15.950 -1.563 140 HB2 CYS 19 HB2 CYS 19 -4.750 -14.903 -3.133 141 HB3 CYS 19 HB1 CYS 19 -4.314 -14.176 -1.587 142 HG CYS 19 HG CYS 19 -3.610 -13.022 -4.364 143 H ILE 20 HN ILE 20 -3.773 -17.679 -2.707 144 HA ILE 20 HA ILE 20 -2.432 -18.294 -5.250 145 HB ILE 20 HB ILE 20 -4.235 -20.112 -3.654 146 HG12 ILE 20 2HG1 ILE 20 -2.546 -19.335 -2.101 147 HG13 ILE 20 1HG1 ILE 20 -2.103 -20.960 -2.620 148 HG21 ILE 20 1HG2 ILE 20 -1.939 -20.606 -5.574 149 HG22 ILE 20 2HG2 ILE 20 -3.651 -20.814 -5.943 150 HG23 ILE 20 3HG2 ILE 20 -2.873 -21.856 -4.751 151 HD11 ILE 20 3HD1 ILE 20 -0.897 -18.329 -3.482 152 HD12 ILE 20 1HD1 ILE 20 -0.668 -19.800 -4.426 153 HD13 ILE 20 2HD1 ILE 20 -0.087 -19.720 -2.765 154 H TYR 21 HN TYR 21 -3.417 -17.876 -7.085 155 HA TYR 21 HA TYR 21 -6.361 -18.151 -7.275 156 HB2 TYR 21 HB2 TYR 21 -4.607 -15.870 -8.190 157 HB3 TYR 21 HB1 TYR 21 -6.138 -16.210 -8.997 158 HD1 TYR 21 HD1 TYR 21 -8.207 -16.565 -7.403 159 HD2 TYR 21 HD2 TYR 21 -4.623 -14.472 -6.294 160 HE1 TYR 21 HE1 TYR 21 -9.446 -15.401 -5.600 161 HE2 TYR 21 HE2 TYR 21 -5.867 -13.309 -4.491 162 HH TYR 21 HH TYR 21 -8.712 -12.785 -4.266 163 H GLN 22 HN GLN 22 -7.113 -19.078 -9.126 164 HA GLN 22 HA GLN 22 -7.076 -20.439 -10.971 165 HB2 GLN 22 HB2 GLN 22 -4.780 -18.591 -11.651 166 HB3 GLN 22 HB1 GLN 22 -5.442 -19.782 -12.770 167 HG2 GLN 22 HG2 GLN 22 -7.648 -18.737 -12.630 168 HG3 GLN 22 HG1 GLN 22 -7.051 -17.584 -11.437 169 HE21 GLN 22 1HE2 GLN 22 -7.663 -17.921 -14.727 170 HE22 GLN 22 2HE2 GLN 22 -6.627 -16.708 -15.308 171 H GLY 23 HN GLY 23 -5.100 -20.801 -8.553 172 HA2 GLY 23 HA2 GLY 23 -3.877 -22.647 -7.872 173 HA3 GLY 23 HA1 GLY 23 -4.045 -23.314 -9.492 174 H ARG 24 HN ARG 24 -2.968 -20.258 -9.952 175 HA ARG 24 HA ARG 24 -0.199 -21.160 -10.337 176 HB2 ARG 24 HB2 ARG 24 -1.646 -18.652 -11.220 177 HB3 ARG 24 HB1 ARG 24 0.028 -19.046 -11.614 178 HG2 ARG 24 HG2 ARG 24 -0.687 -21.087 -12.762 179 HG3 ARG 24 HG1 ARG 24 -2.364 -20.777 -12.311 180 HD2 ARG 24 HD2 ARG 24 -2.024 -20.036 -14.600 181 HD3 ARG 24 HD1 ARG 24 -2.259 -18.625 -13.573 182 HE ARG 24 HE ARG 24 -0.019 -18.029 -13.925 183 HH11 ARG 24 1HH2 ARG 24 -0.742 -21.177 -15.173 184 HH12 ARG 24 2HH2 ARG 24 0.733 -21.309 -16.072 185 HH21 ARG 24 1HH1 ARG 24 1.915 -18.199 -15.099 186 HH22 ARG 24 2HH1 ARG 24 2.237 -19.623 -16.031 187 H LEU 25 HN LEU 25 1.599 -20.030 -9.496 188 HA LEU 25 HA LEU 25 1.153 -18.895 -6.880 189 HB2 LEU 25 HB2 LEU 25 3.596 -19.514 -8.532 190 HB3 LEU 25 HB1 LEU 25 3.735 -18.552 -7.061 191 HG LEU 25 HG LEU 25 2.610 -20.370 -5.790 192 HD11 LEU 25 1HD1 LEU 25 2.512 -22.620 -7.017 193 HD12 LEU 25 2HD1 LEU 25 2.654 -21.691 -8.509 194 HD13 LEU 25 3HD1 LEU 25 1.270 -21.443 -7.442 195 HD21 LEU 25 3HD2 LEU 25 4.953 -21.452 -7.377 196 HD22 LEU 25 1HD2 LEU 25 4.512 -21.837 -5.714 197 HD23 LEU 25 2HD2 LEU 25 5.131 -20.235 -6.113 198 H TRP 26 HN TRP 26 1.324 -16.823 -6.243 199 HA TRP 26 HA TRP 26 1.547 -14.759 -8.363 200 HB2 TRP 26 HB2 TRP 26 -0.026 -14.987 -5.818 201 HB3 TRP 26 HB1 TRP 26 0.452 -13.377 -6.342 202 HD1 TRP 26 HD1 TRP 26 -0.902 -16.464 -8.264 203 HE1 TRP 26 HE1 TRP 26 -2.843 -15.670 -9.764 204 HE3 TRP 26 HE3 TRP 26 -1.013 -11.531 -7.008 205 HZ2 TRP 26 HZ2 TRP 26 -4.256 -13.250 -10.350 206 HZ3 TRP 26 HZ3 TRP 26 -2.664 -9.998 -8.044 207 HH2 TRP 26 HH2 TRP 26 -4.285 -10.852 -9.713 208 H ALA 27 HN ALA 27 2.888 -13.097 -8.131 209 HA ALA 27 HA ALA 27 4.939 -13.278 -6.050 210 HB1 ALA 27 HB1 ALA 27 5.196 -10.942 -7.745 211 HB2 ALA 27 HB2 ALA 27 4.847 -12.336 -8.740 212 HB3 ALA 27 HB3 ALA 27 6.242 -12.360 -7.688 213 H PHE 28 HN PHE 28 4.348 -12.288 -4.115 214 HA PHE 28 HA PHE 28 2.170 -10.390 -4.159 215 HB2 PHE 28 HB2 PHE 28 2.218 -11.652 -2.193 216 HB3 PHE 28 HB1 PHE 28 3.954 -11.520 -2.014 217 HD1 PHE 28 HD1 PHE 28 0.731 -9.728 -1.669 218 HD2 PHE 28 HD2 PHE 28 4.960 -9.624 -0.921 219 HE1 PHE 28 HE1 PHE 28 0.419 -7.784 -0.159 220 HE2 PHE 28 HE2 PHE 28 4.648 -7.681 0.587 221 HZ PHE 28 HZ PHE 28 2.378 -6.763 0.969 222 H CYS 29 HN CYS 29 2.630 -8.694 -5.280 223 HA CYS 29 HA CYS 29 4.722 -6.874 -4.331 224 HB2 CYS 29 HB2 CYS 29 4.599 -8.240 -6.951 225 HB3 CYS 29 HB1 CYS 29 4.852 -6.499 -7.053 226 HG CYS 29 HG CYS 29 6.817 -7.185 -5.104 227 H CYS 30 HN CYS 30 3.846 -4.962 -3.936 228 HA CYS 30 HA CYS 30 1.150 -4.350 -4.314 229 HB2 CYS 30 HB2 CYS 30 3.407 -2.365 -3.987 230 HB3 CYS 30 HB1 CYS 30 1.708 -2.112 -3.586 231 HG CYS 30 HG CYS 30 3.410 -2.995 -1.538 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -0.911 -0.276 2.741 2 H2 ALA 1 HT2 ALA 1 -1.282 -1.049 4.209 3 H3 ALA 1 HT3 ALA 1 -2.363 0.080 3.542 4 HA ALA 1 HA ALA 1 -2.292 -2.683 3.142 5 HB1 ALA 1 HB1 ALA 1 -4.263 -2.055 1.625 6 HB2 ALA 1 HB2 ALA 1 -3.905 -0.378 2.037 7 HB3 ALA 1 HB3 ALA 1 -4.363 -1.518 3.302 8 H CYS 2 HN CYS 2 -1.391 -3.901 1.609 9 HA CYS 2 HA CYS 2 -0.207 -2.594 -0.762 10 HB2 CYS 2 HB2 CYS 2 0.277 -5.258 0.577 11 HB3 CYS 2 HB1 CYS 2 0.966 -4.831 -0.990 12 HG CYS 2 HG CYS 2 2.266 -2.877 0.161 13 H TYR 3 HN TYR 3 -0.975 -2.931 -2.748 14 HA TYR 3 HA TYR 3 -3.291 -4.707 -3.079 15 HB2 TYR 3 HB2 TYR 3 -3.310 -2.334 -3.937 16 HB3 TYR 3 HB1 TYR 3 -2.079 -2.817 -5.105 17 HD1 TYR 3 HD2 TYR 3 -5.521 -3.611 -3.900 18 HD2 TYR 3 HD1 TYR 3 -2.671 -3.969 -7.095 19 HE1 TYR 3 HE2 TYR 3 -7.285 -4.553 -5.368 20 HE2 TYR 3 HE1 TYR 3 -4.435 -4.913 -8.561 21 HH TYR 3 HH TYR 3 -7.464 -5.949 -7.358 22 H CYS 4 HN CYS 4 -3.360 -6.288 -4.741 23 HA CYS 4 HA CYS 4 -0.776 -7.571 -5.188 24 HB2 CYS 4 HB2 CYS 4 -3.525 -8.500 -6.021 25 HB3 CYS 4 HB1 CYS 4 -2.064 -9.470 -5.881 26 HG CYS 4 HG CYS 4 -2.207 -9.367 -3.337 27 H ARG 5 HN ARG 5 0.064 -8.104 -7.208 28 HA ARG 5 HA ARG 5 -1.251 -7.229 -9.628 29 HB2 ARG 5 HB2 ARG 5 0.270 -5.288 -8.436 30 HB3 ARG 5 HB1 ARG 5 1.474 -6.042 -9.472 31 HG2 ARG 5 HG2 ARG 5 0.543 -4.464 -10.934 32 HG3 ARG 5 HG1 ARG 5 -0.436 -5.868 -11.314 33 HD2 ARG 5 HD2 ARG 5 -2.139 -5.076 -9.661 34 HD3 ARG 5 HD1 ARG 5 -1.181 -3.621 -9.419 35 HE ARG 5 HE ARG 5 -2.768 -4.298 -11.787 36 HH11 ARG 5 1HH2 ARG 5 -0.424 -2.244 -10.268 37 HH12 ARG 5 2HH2 ARG 5 -0.658 -0.935 -11.377 38 HH21 ARG 5 1HH1 ARG 5 -3.075 -2.586 -13.233 39 HH22 ARG 5 2HH1 ARG 5 -2.157 -1.128 -13.055 40 H ILE 6 HN ILE 6 0.401 -7.389 -11.476 41 HA ILE 6 HA ILE 6 1.642 -10.033 -11.267 42 HB ILE 6 HB ILE 6 1.916 -9.249 -13.912 43 HG12 ILE 6 2HG1 ILE 6 -0.312 -8.298 -14.563 44 HG13 ILE 6 1HG1 ILE 6 -0.637 -7.986 -12.863 45 HG21 ILE 6 1HG2 ILE 6 -0.016 -10.685 -14.387 46 HG22 ILE 6 2HG2 ILE 6 -0.523 -10.575 -12.701 47 HG23 ILE 6 3HG2 ILE 6 0.984 -11.390 -13.117 48 HD11 ILE 6 3HD1 ILE 6 1.347 -6.538 -12.728 49 HD12 ILE 6 1HD1 ILE 6 0.290 -5.987 -14.026 50 HD13 ILE 6 2HD1 ILE 6 1.746 -6.909 -14.403 51 HA PRO 7 HA PRO 7 5.707 -8.436 -10.973 52 HB2 PRO 7 HB2 PRO 7 6.351 -9.342 -13.751 53 HB3 PRO 7 HB1 PRO 7 7.247 -9.607 -12.238 54 HG2 PRO 7 HG2 PRO 7 5.810 -11.558 -13.210 55 HG3 PRO 7 HG1 PRO 7 5.719 -11.197 -11.473 56 HD2 PRO 7 HD2 PRO 7 3.767 -10.503 -13.645 57 HD3 PRO 7 HD1 PRO 7 3.454 -11.112 -12.004 58 H ALA 8 HN ALA 8 4.115 -6.338 -11.558 59 HA ALA 8 HA ALA 8 5.917 -4.435 -12.569 60 HB1 ALA 8 HB1 ALA 8 4.565 -3.735 -14.564 61 HB2 ALA 8 HB2 ALA 8 3.668 -5.245 -14.407 62 HB3 ALA 8 HB3 ALA 8 5.397 -5.279 -14.753 63 H CYS 9 HN CYS 9 5.422 -3.182 -10.888 64 HA CYS 9 HA CYS 9 3.751 -1.153 -10.786 65 HB2 CYS 9 HB2 CYS 9 1.715 -2.467 -11.014 66 HB3 CYS 9 HB1 CYS 9 2.181 -3.485 -9.646 67 HG CYS 9 HG CYS 9 1.136 -1.784 -8.187 68 H ILE 10 HN ILE 10 5.527 -3.542 -9.410 69 HA ILE 10 HA ILE 10 5.280 -2.977 -6.651 70 HB ILE 10 HB ILE 10 7.808 -3.999 -7.958 71 HG12 ILE 10 2HG1 ILE 10 5.266 -5.569 -7.407 72 HG13 ILE 10 1HG1 ILE 10 5.929 -5.216 -8.994 73 HG21 ILE 10 1HG2 ILE 10 8.100 -5.152 -5.896 74 HG22 ILE 10 2HG2 ILE 10 6.430 -4.875 -5.412 75 HG23 ILE 10 3HG2 ILE 10 7.573 -3.532 -5.450 76 HD11 ILE 10 3HD1 ILE 10 8.107 -6.363 -7.880 77 HD12 ILE 10 1HD1 ILE 10 6.860 -7.287 -8.714 78 HD13 ILE 10 2HD1 ILE 10 6.846 -7.179 -6.955 79 H ALA 11 HN ALA 11 5.985 -1.285 -5.547 80 HA ALA 11 HA ALA 11 7.505 0.792 -6.825 81 HB1 ALA 11 HB1 ALA 11 7.374 1.866 -4.572 82 HB2 ALA 11 HB2 ALA 11 6.570 0.417 -3.971 83 HB3 ALA 11 HB3 ALA 11 5.799 1.401 -5.217 84 H GLY 12 HN GLY 12 8.486 -2.072 -6.084 85 HA2 GLY 12 HA2 GLY 12 10.887 -2.507 -6.173 86 HA3 GLY 12 HA1 GLY 12 11.108 -1.230 -4.982 87 H GLU 13 HN GLU 13 9.751 -4.464 -5.488 88 HA GLU 13 HA GLU 13 10.609 -5.295 -2.869 89 HB2 GLU 13 HB2 GLU 13 8.438 -4.085 -2.426 90 HB3 GLU 13 HB1 GLU 13 7.631 -5.309 -3.404 91 HG2 GLU 13 HG2 GLU 13 8.255 -7.058 -1.889 92 HG3 GLU 13 HG1 GLU 13 9.365 -6.000 -1.020 93 H ARG 14 HN ARG 14 9.943 -7.646 -2.484 94 HA ARG 14 HA ARG 14 10.089 -9.093 -5.060 95 HB2 ARG 14 HB2 ARG 14 10.775 -10.034 -2.265 96 HB3 ARG 14 HB1 ARG 14 11.034 -10.934 -3.758 97 HG2 ARG 14 HG2 ARG 14 12.242 -8.196 -3.347 98 HG3 ARG 14 HG1 ARG 14 13.054 -9.650 -2.774 99 HD2 ARG 14 HD2 ARG 14 12.936 -10.574 -5.097 100 HD3 ARG 14 HD1 ARG 14 12.264 -9.045 -5.642 101 HE ARG 14 HE ARG 14 15.022 -9.532 -4.803 102 HH11 ARG 14 1HH2 ARG 14 12.528 -7.277 -5.649 103 HH12 ARG 14 2HH2 ARG 14 13.630 -6.009 -6.064 104 HH21 ARG 14 1HH1 ARG 14 16.464 -7.871 -5.346 105 HH22 ARG 14 2HH1 ARG 14 15.855 -6.343 -5.892 106 H ARG 15 HN ARG 15 8.957 -11.112 -5.276 107 HA ARG 15 HA ARG 15 6.224 -10.907 -4.488 108 HB2 ARG 15 HB2 ARG 15 5.888 -12.892 -5.795 109 HB3 ARG 15 HB1 ARG 15 7.078 -11.903 -6.639 110 HG2 ARG 15 HG2 ARG 15 8.888 -13.263 -5.527 111 HG3 ARG 15 HG1 ARG 15 7.621 -14.337 -4.928 112 HD2 ARG 15 HD2 ARG 15 6.875 -14.764 -7.232 113 HD3 ARG 15 HD1 ARG 15 8.131 -13.693 -7.842 114 HE ARG 15 HE ARG 15 9.150 -15.835 -6.193 115 HH11 ARG 15 1HH2 ARG 15 8.133 -14.839 -9.345 116 HH12 ARG 15 2HH2 ARG 15 9.087 -16.019 -10.179 117 HH21 ARG 15 1HH1 ARG 15 10.409 -17.386 -7.280 118 HH22 ARG 15 2HH1 ARG 15 10.376 -17.460 -9.011 119 H TYR 16 HN TYR 16 5.226 -11.655 -2.755 120 HA TYR 16 HA TYR 16 6.304 -13.946 -1.277 121 HB2 TYR 16 HB2 TYR 16 7.398 -12.049 -0.210 122 HB3 TYR 16 HB1 TYR 16 5.851 -11.222 -0.031 123 HD1 TYR 16 HD2 TYR 16 7.655 -14.363 0.894 124 HD2 TYR 16 HD1 TYR 16 4.495 -11.619 1.866 125 HE1 TYR 16 HE2 TYR 16 7.269 -15.564 3.028 126 HE2 TYR 16 HE1 TYR 16 4.110 -12.821 4.001 127 HH TYR 16 HH TYR 16 6.238 -14.841 5.380 128 H GLY 17 HN GLY 17 4.088 -11.600 0.065 129 HA2 GLY 17 HA2 GLY 17 1.961 -13.627 0.093 130 HA3 GLY 17 HA1 GLY 17 2.004 -12.141 1.038 131 H THR 18 HN THR 18 1.305 -13.534 -2.096 132 HA THR 18 HA THR 18 -0.364 -11.184 -2.751 133 HB THR 18 HB THR 18 1.213 -12.624 -4.887 134 HG1 THR 18 HG1 THR 18 2.926 -11.585 -4.332 135 HG21 THR 18 3HG2 THR 18 -0.127 -9.916 -4.657 136 HG22 THR 18 1HG2 THR 18 -0.589 -11.256 -5.708 137 HG23 THR 18 2HG2 THR 18 0.912 -10.377 -6.001 138 H CYS 19 HN CYS 19 -1.960 -11.730 -4.501 139 HA CYS 19 HA CYS 19 -3.049 -14.423 -3.985 140 HB2 CYS 19 HB2 CYS 19 -4.544 -12.297 -5.488 141 HB3 CYS 19 HB1 CYS 19 -5.152 -13.525 -4.377 142 HG CYS 19 HG CYS 19 -3.719 -11.983 -2.519 143 H ILE 20 HN ILE 20 -3.536 -15.851 -5.619 144 HA ILE 20 HA ILE 20 -2.163 -15.381 -8.181 145 HB ILE 20 HB ILE 20 -3.421 -17.947 -7.212 146 HG12 ILE 20 2HG1 ILE 20 -1.882 -17.277 -5.472 147 HG13 ILE 20 1HG1 ILE 20 -1.089 -18.521 -6.435 148 HG21 ILE 20 1HG2 ILE 20 -2.679 -17.570 -9.647 149 HG22 ILE 20 2HG2 ILE 20 -2.038 -18.993 -8.826 150 HG23 ILE 20 3HG2 ILE 20 -1.033 -17.558 -9.017 151 HD11 ILE 20 3HD1 ILE 20 -0.592 -15.544 -6.442 152 HD12 ILE 20 1HD1 ILE 20 -0.089 -16.557 -7.794 153 HD13 ILE 20 2HD1 ILE 20 0.564 -16.849 -6.184 154 H TYR 21 HN TYR 21 -3.286 -14.757 -9.888 155 HA TYR 21 HA TYR 21 -6.185 -15.378 -10.042 156 HB2 TYR 21 HB2 TYR 21 -4.596 -13.040 -11.114 157 HB3 TYR 21 HB1 TYR 21 -6.257 -13.387 -11.595 158 HD1 TYR 21 HD2 TYR 21 -8.008 -13.649 -9.709 159 HD2 TYR 21 HD1 TYR 21 -4.169 -11.813 -9.143 160 HE1 TYR 21 HE2 TYR 21 -8.849 -12.519 -7.669 161 HE2 TYR 21 HE1 TYR 21 -5.009 -10.680 -7.106 162 HH TYR 21 HH TYR 21 -7.061 -11.333 -5.358 163 H GLN 22 HN GLN 22 -6.944 -16.424 -11.793 164 HA GLN 22 HA GLN 22 -6.956 -17.663 -13.724 165 HB2 GLN 22 HB2 GLN 22 -6.339 -15.315 -14.584 166 HB3 GLN 22 HB1 GLN 22 -4.688 -15.923 -14.688 167 HG2 GLN 22 HG2 GLN 22 -5.368 -17.670 -16.234 168 HG3 GLN 22 HG1 GLN 22 -7.065 -17.251 -16.022 169 HE21 GLN 22 1HE2 GLN 22 -5.834 -17.204 -18.606 170 HE22 GLN 22 2HE2 GLN 22 -5.763 -15.592 -19.130 171 H GLY 23 HN GLY 23 -4.775 -17.940 -11.472 172 HA2 GLY 23 HA2 GLY 23 -3.327 -19.673 -10.959 173 HA3 GLY 23 HA1 GLY 23 -3.605 -20.328 -12.568 174 H ARG 24 HN ARG 24 -2.711 -17.035 -12.524 175 HA ARG 24 HA ARG 24 -0.081 -17.697 -13.652 176 HB2 ARG 24 HB2 ARG 24 -1.647 -15.108 -13.520 177 HB3 ARG 24 HB1 ARG 24 -0.051 -15.272 -14.257 178 HG2 ARG 24 HG2 ARG 24 -0.928 -16.958 -15.818 179 HG3 ARG 24 HG1 ARG 24 -2.520 -16.835 -15.070 180 HD2 ARG 24 HD2 ARG 24 -1.081 -14.493 -16.340 181 HD3 ARG 24 HD1 ARG 24 -2.263 -15.487 -17.187 182 HE ARG 24 HE ARG 24 -3.427 -14.599 -14.787 183 HH11 ARG 24 1HH2 ARG 24 -2.224 -13.388 -17.794 184 HH12 ARG 24 2HH2 ARG 24 -3.305 -12.035 -17.843 185 HH21 ARG 24 1HH1 ARG 24 -4.852 -12.830 -14.842 186 HH22 ARG 24 2HH1 ARG 24 -4.794 -11.720 -16.170 187 H LEU 25 HN LEU 25 1.859 -16.699 -12.900 188 HA LEU 25 HA LEU 25 1.984 -16.476 -10.028 189 HB2 LEU 25 HB2 LEU 25 4.133 -15.896 -12.080 190 HB3 LEU 25 HB1 LEU 25 4.373 -16.197 -10.360 191 HG LEU 25 HG LEU 25 3.188 -18.180 -12.327 192 HD11 LEU 25 1HD1 LEU 25 5.618 -17.727 -12.658 193 HD12 LEU 25 2HD1 LEU 25 5.308 -19.372 -12.103 194 HD13 LEU 25 3HD1 LEU 25 5.902 -18.157 -10.971 195 HD21 LEU 25 3HD2 LEU 25 2.286 -18.763 -10.232 196 HD22 LEU 25 1HD2 LEU 25 3.719 -18.226 -9.354 197 HD23 LEU 25 2HD2 LEU 25 3.760 -19.726 -10.281 198 H TRP 26 HN TRP 26 1.705 -14.688 -8.872 199 HA TRP 26 HA TRP 26 1.915 -12.059 -10.225 200 HB2 TRP 26 HB2 TRP 26 0.158 -13.075 -8.009 201 HB3 TRP 26 HB1 TRP 26 0.552 -11.359 -8.071 202 HD1 TRP 26 HD1 TRP 26 -0.174 -13.700 -11.059 203 HE1 TRP 26 HE1 TRP 26 -2.156 -12.720 -12.371 204 HE3 TRP 26 HE3 TRP 26 -1.366 -9.760 -8.044 205 HZ2 TRP 26 HZ2 TRP 26 -4.011 -10.561 -12.171 206 HZ3 TRP 26 HZ3 TRP 26 -3.258 -8.266 -8.627 207 HH2 TRP 26 HH2 TRP 26 -4.577 -8.659 -10.684 208 H ALA 27 HN ALA 27 3.079 -10.458 -9.340 209 HA ALA 27 HA ALA 27 4.964 -11.237 -7.233 210 HB1 ALA 27 HB1 ALA 27 5.719 -10.120 -9.390 211 HB2 ALA 27 HB2 ALA 27 6.270 -9.373 -7.893 212 HB3 ALA 27 HB3 ALA 27 4.933 -8.657 -8.794 213 H PHE 28 HN PHE 28 5.196 -9.965 -5.369 214 HA PHE 28 HA PHE 28 2.692 -8.904 -4.405 215 HB2 PHE 28 HB2 PHE 28 4.084 -10.244 -2.925 216 HB3 PHE 28 HB1 PHE 28 5.420 -9.119 -3.129 217 HD1 PHE 28 HD2 PHE 28 1.771 -9.032 -2.232 218 HD2 PHE 28 HD1 PHE 28 5.711 -7.509 -1.464 219 HE1 PHE 28 HE2 PHE 28 0.875 -7.640 -0.383 220 HE2 PHE 28 HE1 PHE 28 4.817 -6.116 0.381 221 HZ PHE 28 HZ PHE 28 2.399 -6.182 0.922 222 H CYS 29 HN CYS 29 2.145 -7.032 -5.183 223 HA CYS 29 HA CYS 29 4.093 -4.882 -5.575 224 HB2 CYS 29 HB2 CYS 29 2.617 -5.183 -7.408 225 HB3 CYS 29 HB1 CYS 29 1.219 -5.341 -6.343 226 HG CYS 29 HG CYS 29 0.948 -2.890 -6.452 227 H CYS 30 HN CYS 30 4.306 -3.225 -4.195 228 HA CYS 30 HA CYS 30 2.566 -3.113 -1.833 229 HB2 CYS 30 HB2 CYS 30 5.150 -3.017 -1.796 230 HB3 CYS 30 HB1 CYS 30 4.959 -1.351 -2.342 231 HG CYS 30 HG CYS 30 4.447 -0.762 0.001 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -3.490 -0.906 1.992 2 H2 ALA 1 HT2 ALA 1 -1.904 -0.353 2.247 3 H3 ALA 1 HT3 ALA 1 -2.187 -1.982 1.853 4 HA ALA 1 HA ALA 1 -3.069 0.125 0.003 5 HB1 ALA 1 HB1 ALA 1 -0.806 -0.172 -1.126 6 HB2 ALA 1 HB2 ALA 1 -0.252 -0.925 0.369 7 HB3 ALA 1 HB3 ALA 1 -0.782 0.756 0.373 8 H CYS 2 HN CYS 2 -0.784 -2.373 -0.741 9 HA CYS 2 HA CYS 2 -2.815 -4.327 -1.491 10 HB2 CYS 2 HB2 CYS 2 -2.055 -4.396 -3.852 11 HB3 CYS 2 HB1 CYS 2 -2.821 -2.860 -3.442 12 HG CYS 2 HG CYS 2 -0.668 -2.053 -4.500 13 H TYR 3 HN TYR 3 -1.907 -6.376 -2.066 14 HA TYR 3 HA TYR 3 0.988 -6.732 -1.742 15 HB2 TYR 3 HB2 TYR 3 0.584 -8.525 -0.037 16 HB3 TYR 3 HB1 TYR 3 0.206 -6.900 0.534 17 HD1 TYR 3 HD1 TYR 3 -2.208 -6.091 0.413 18 HD2 TYR 3 HD2 TYR 3 -1.098 -10.215 -0.047 19 HE1 TYR 3 HE1 TYR 3 -4.537 -6.774 0.916 20 HE2 TYR 3 HE2 TYR 3 -3.429 -10.897 0.451 21 HH TYR 3 HH TYR 3 -5.771 -8.676 1.677 22 H CYS 4 HN CYS 4 0.332 -7.109 -4.075 23 HA CYS 4 HA CYS 4 0.115 -9.984 -4.507 24 HB2 CYS 4 HB2 CYS 4 -2.003 -7.997 -5.209 25 HB3 CYS 4 HB1 CYS 4 -1.682 -9.267 -6.377 26 HG CYS 4 HG CYS 4 -2.828 -9.692 -3.529 27 H ARG 5 HN ARG 5 0.342 -10.395 -7.001 28 HA ARG 5 HA ARG 5 2.407 -8.535 -8.047 29 HB2 ARG 5 HB2 ARG 5 3.006 -10.331 -9.608 30 HB3 ARG 5 HB1 ARG 5 3.123 -10.876 -7.946 31 HG2 ARG 5 HG2 ARG 5 1.815 -12.636 -8.591 32 HG3 ARG 5 HG1 ARG 5 0.477 -11.497 -8.548 33 HD2 ARG 5 HD2 ARG 5 0.271 -12.350 -10.706 34 HD3 ARG 5 HD1 ARG 5 1.287 -10.949 -11.019 35 HE ARG 5 HE ARG 5 3.100 -12.391 -11.415 36 HH11 ARG 5 1HH2 ARG 5 0.307 -14.073 -10.241 37 HH12 ARG 5 2HH2 ARG 5 0.961 -15.647 -10.541 38 HH21 ARG 5 1HH1 ARG 5 3.968 -14.458 -11.785 39 HH22 ARG 5 2HH1 ARG 5 3.031 -15.866 -11.410 40 H ILE 6 HN ILE 6 2.013 -7.383 -9.746 41 HA ILE 6 HA ILE 6 -0.132 -8.092 -11.589 42 HB ILE 6 HB ILE 6 0.083 -5.356 -10.315 43 HG12 ILE 6 2HG1 ILE 6 -2.277 -6.093 -9.474 44 HG13 ILE 6 1HG1 ILE 6 -1.716 -7.730 -9.786 45 HG21 ILE 6 1HG2 ILE 6 -0.714 -5.419 -12.674 46 HG22 ILE 6 2HG2 ILE 6 -1.980 -4.912 -11.559 47 HG23 ILE 6 3HG2 ILE 6 -1.975 -6.555 -12.195 48 HD11 ILE 6 3HD1 ILE 6 -1.112 -5.970 -7.568 49 HD12 ILE 6 1HD1 ILE 6 0.381 -6.505 -8.329 50 HD13 ILE 6 2HD1 ILE 6 -0.788 -7.678 -7.753 51 HA PRO 7 HA PRO 7 3.312 -6.973 -14.213 52 HB2 PRO 7 HB2 PRO 7 1.149 -5.983 -16.032 53 HB3 PRO 7 HB1 PRO 7 2.520 -7.048 -16.391 54 HG2 PRO 7 HG2 PRO 7 0.028 -7.989 -16.139 55 HG3 PRO 7 HG1 PRO 7 1.441 -8.922 -15.610 56 HD2 PRO 7 HD2 PRO 7 -0.599 -7.512 -13.959 57 HD3 PRO 7 HD1 PRO 7 0.422 -8.917 -13.562 58 H ALA 8 HN ALA 8 3.881 -5.358 -12.725 59 HA ALA 8 HA ALA 8 3.703 -2.652 -13.643 60 HB1 ALA 8 HB1 ALA 8 2.485 -3.201 -10.934 61 HB2 ALA 8 HB2 ALA 8 1.497 -3.082 -12.391 62 HB3 ALA 8 HB3 ALA 8 2.459 -1.701 -11.863 63 H CYS 9 HN CYS 9 4.301 -1.448 -11.175 64 HA CYS 9 HA CYS 9 7.056 -1.778 -10.946 65 HB2 CYS 9 HB2 CYS 9 6.833 -0.511 -8.855 66 HB3 CYS 9 HB1 CYS 9 5.800 0.173 -10.112 67 HG CYS 9 HG CYS 9 4.654 -1.740 -7.906 68 H ILE 10 HN ILE 10 6.966 -4.280 -10.925 69 HA ILE 10 HA ILE 10 6.218 -5.630 -8.532 70 HB ILE 10 HB ILE 10 8.023 -6.392 -10.834 71 HG12 ILE 10 2HG1 ILE 10 5.369 -7.631 -10.087 72 HG13 ILE 10 1HG1 ILE 10 5.403 -6.124 -10.992 73 HG21 ILE 10 1HG2 ILE 10 7.714 -8.743 -9.847 74 HG22 ILE 10 2HG2 ILE 10 7.208 -7.934 -8.365 75 HG23 ILE 10 3HG2 ILE 10 8.834 -7.679 -8.995 76 HD11 ILE 10 3HD1 ILE 10 5.314 -8.263 -12.381 77 HD12 ILE 10 1HD1 ILE 10 6.971 -8.556 -11.855 78 HD13 ILE 10 2HD1 ILE 10 6.588 -7.119 -12.804 79 H ALA 11 HN ALA 11 9.299 -4.365 -9.761 80 HA ALA 11 HA ALA 11 10.892 -5.317 -7.614 81 HB1 ALA 11 HB1 ALA 11 11.893 -4.628 -9.728 82 HB2 ALA 11 HB2 ALA 11 12.549 -3.656 -8.412 83 HB3 ALA 11 HB3 ALA 11 11.325 -2.977 -9.484 84 H GLY 12 HN GLY 12 12.133 -3.702 -6.196 85 HA2 GLY 12 HA2 GLY 12 12.154 -1.786 -4.805 86 HA3 GLY 12 HA1 GLY 12 10.474 -1.473 -5.231 87 H GLU 13 HN GLU 13 10.166 -4.550 -4.781 88 HA GLU 13 HA GLU 13 10.417 -4.797 -1.905 89 HB2 GLU 13 HB2 GLU 13 8.330 -3.433 -2.229 90 HB3 GLU 13 HB1 GLU 13 7.649 -4.788 -3.129 91 HG2 GLU 13 HG2 GLU 13 6.887 -4.968 -0.843 92 HG3 GLU 13 HG1 GLU 13 8.075 -6.241 -1.110 93 H ARG 14 HN ARG 14 10.190 -6.923 -1.199 94 HA ARG 14 HA ARG 14 10.097 -8.954 -3.349 95 HB2 ARG 14 HB2 ARG 14 11.253 -9.027 -0.554 96 HB3 ARG 14 HB1 ARG 14 11.184 -10.419 -1.634 97 HG2 ARG 14 HG2 ARG 14 12.514 -9.191 -3.309 98 HG3 ARG 14 HG1 ARG 14 12.585 -7.797 -2.229 99 HD2 ARG 14 HD2 ARG 14 13.624 -10.554 -1.529 100 HD3 ARG 14 HD1 ARG 14 14.631 -9.235 -2.116 101 HE ARG 14 HE ARG 14 13.466 -9.482 0.536 102 HH11 ARG 14 1HH2 ARG 14 14.853 -7.428 -1.879 103 HH12 ARG 14 2HH2 ARG 14 15.350 -6.209 -0.754 104 HH21 ARG 14 1HH1 ARG 14 14.114 -7.887 2.018 105 HH22 ARG 14 2HH1 ARG 14 14.932 -6.469 1.453 106 H ARG 15 HN ARG 15 9.209 -11.110 -2.618 107 HA ARG 15 HA ARG 15 6.493 -10.780 -1.845 108 HB2 ARG 15 HB2 ARG 15 6.429 -13.266 -1.926 109 HB3 ARG 15 HB1 ARG 15 7.136 -12.551 -3.375 110 HG2 ARG 15 HG2 ARG 15 9.403 -12.945 -2.438 111 HG3 ARG 15 HG1 ARG 15 8.670 -13.719 -1.034 112 HD2 ARG 15 HD2 ARG 15 9.349 -15.432 -2.622 113 HD3 ARG 15 HD1 ARG 15 7.591 -15.374 -2.537 114 HE ARG 15 HE ARG 15 7.544 -14.561 -4.730 115 HH11 ARG 15 1HH2 ARG 15 10.751 -14.590 -3.429 116 HH12 ARG 15 2HH2 ARG 15 11.520 -14.283 -4.950 117 HH21 ARG 15 1HH1 ARG 15 8.546 -14.158 -6.729 118 HH22 ARG 15 2HH1 ARG 15 10.272 -14.038 -6.819 119 H TYR 16 HN TYR 16 5.506 -10.984 0.068 120 HA TYR 16 HA TYR 16 6.864 -12.243 2.338 121 HB2 TYR 16 HB2 TYR 16 5.916 -9.367 2.355 122 HB3 TYR 16 HB1 TYR 16 6.380 -10.279 3.791 123 HD1 TYR 16 HD2 TYR 16 8.733 -11.470 3.667 124 HD2 TYR 16 HD1 TYR 16 7.566 -8.128 1.232 125 HE1 TYR 16 HE2 TYR 16 11.119 -10.934 3.257 126 HE2 TYR 16 HE1 TYR 16 9.952 -7.594 0.823 127 HH TYR 16 HH TYR 16 12.546 -9.429 2.416 128 H GLY 17 HN GLY 17 4.392 -10.064 3.146 129 HA2 GLY 17 HA2 GLY 17 2.610 -12.164 3.937 130 HA3 GLY 17 HA1 GLY 17 2.291 -10.433 4.034 131 H THR 18 HN THR 18 3.070 -12.484 1.249 132 HA THR 18 HA THR 18 0.960 -11.293 -0.323 133 HB THR 18 HB THR 18 1.905 -12.417 -2.158 134 HG1 THR 18 HG1 THR 18 3.537 -14.202 -1.271 135 HG21 THR 18 3HG2 THR 18 3.518 -10.843 -1.136 136 HG22 THR 18 1HG2 THR 18 4.348 -12.201 -1.891 137 HG23 THR 18 2HG2 THR 18 4.160 -12.155 -0.148 138 H CYS 19 HN CYS 19 -0.582 -12.730 -1.538 139 HA CYS 19 HA CYS 19 -1.785 -14.666 0.341 140 HB2 CYS 19 HB2 CYS 19 -3.715 -14.425 -1.431 141 HB3 CYS 19 HB1 CYS 19 -3.434 -13.130 -0.268 142 HG CYS 19 HG CYS 19 -2.792 -12.991 -3.288 143 H ILE 20 HN ILE 20 -2.402 -16.737 -0.340 144 HA ILE 20 HA ILE 20 -0.646 -17.899 -2.324 145 HB ILE 20 HB ILE 20 -2.893 -19.274 -0.847 146 HG12 ILE 20 2HG1 ILE 20 -1.575 -18.137 0.838 147 HG13 ILE 20 1HG1 ILE 20 -1.118 -19.839 0.850 148 HG21 ILE 20 1HG2 ILE 20 -1.505 -21.251 -1.162 149 HG22 ILE 20 2HG2 ILE 20 -0.223 -20.275 -1.878 150 HG23 ILE 20 3HG2 ILE 20 -1.758 -20.473 -2.724 151 HD11 ILE 20 3HD1 ILE 20 0.949 -18.691 0.902 152 HD12 ILE 20 1HD1 ILE 20 0.414 -17.494 -0.275 153 HD13 ILE 20 2HD1 ILE 20 0.764 -19.142 -0.792 154 H TYR 21 HN TYR 21 -1.104 -18.080 -4.404 155 HA TYR 21 HA TYR 21 -3.841 -18.623 -5.291 156 HB2 TYR 21 HB2 TYR 21 -2.293 -16.119 -5.939 157 HB3 TYR 21 HB1 TYR 21 -3.414 -16.787 -7.124 158 HD1 TYR 21 HD2 TYR 21 -5.777 -17.499 -6.131 159 HD2 TYR 21 HD1 TYR 21 -3.148 -14.597 -4.366 160 HE1 TYR 21 HE2 TYR 21 -7.695 -16.499 -4.921 161 HE2 TYR 21 HE1 TYR 21 -5.068 -13.596 -3.155 162 HH TYR 21 HH TYR 21 -8.300 -15.056 -3.313 163 H GLN 22 HN GLN 22 -3.945 -19.702 -7.232 164 HA GLN 22 HA GLN 22 -3.210 -21.179 -8.833 165 HB2 GLN 22 HB2 GLN 22 -1.156 -18.976 -9.113 166 HB3 GLN 22 HB1 GLN 22 -1.320 -20.317 -10.248 167 HG2 GLN 22 HG2 GLN 22 -3.620 -19.677 -10.739 168 HG3 GLN 22 HG1 GLN 22 -3.553 -18.399 -9.526 169 HE21 GLN 22 1HE2 GLN 22 -3.721 -18.499 -12.691 170 HE22 GLN 22 2HE2 GLN 22 -2.589 -17.320 -13.146 171 H GLY 23 HN GLY 23 -1.867 -21.041 -5.991 172 HA2 GLY 23 HA2 GLY 23 -0.513 -22.546 -4.868 173 HA3 GLY 23 HA1 GLY 23 -0.210 -23.355 -6.403 174 H ARG 24 HN ARG 24 0.327 -19.956 -6.297 175 HA ARG 24 HA ARG 24 3.233 -20.303 -5.867 176 HB2 ARG 24 HB2 ARG 24 1.924 -18.894 -8.205 177 HB3 ARG 24 HB1 ARG 24 3.641 -18.797 -7.810 178 HG2 ARG 24 HG2 ARG 24 3.876 -21.214 -8.077 179 HG3 ARG 24 HG1 ARG 24 2.145 -21.376 -8.368 180 HD2 ARG 24 HD2 ARG 24 3.316 -21.391 -10.504 181 HD3 ARG 24 HD1 ARG 24 2.380 -19.904 -10.366 182 HE ARG 24 HE ARG 24 5.009 -19.468 -9.396 183 HH11 ARG 24 1HH2 ARG 24 3.220 -20.055 -12.298 184 HH12 ARG 24 2HH2 ARG 24 4.319 -19.184 -13.316 185 HH21 ARG 24 1HH1 ARG 24 6.454 -18.324 -10.723 186 HH22 ARG 24 2HH1 ARG 24 6.149 -18.204 -12.425 187 H LEU 25 HN LEU 25 4.324 -18.420 -5.182 188 HA LEU 25 HA LEU 25 2.664 -16.615 -3.626 189 HB2 LEU 25 HB2 LEU 25 5.670 -16.601 -4.004 190 HB3 LEU 25 HB1 LEU 25 4.759 -15.801 -2.724 191 HG LEU 25 HG LEU 25 4.840 -18.799 -3.182 192 HD11 LEU 25 1HD1 LEU 25 6.993 -17.794 -2.379 193 HD12 LEU 25 2HD1 LEU 25 6.258 -18.893 -1.213 194 HD13 LEU 25 3HD1 LEU 25 6.124 -17.149 -0.986 195 HD21 LEU 25 3HD2 LEU 25 3.438 -17.011 -1.193 196 HD22 LEU 25 1HD2 LEU 25 3.871 -18.663 -0.752 197 HD23 LEU 25 2HD2 LEU 25 2.788 -18.371 -2.108 198 H TRP 26 HN TRP 26 2.078 -14.596 -4.192 199 HA TRP 26 HA TRP 26 2.940 -13.562 -6.795 200 HB2 TRP 26 HB2 TRP 26 0.837 -12.701 -4.806 201 HB3 TRP 26 HB1 TRP 26 1.225 -11.778 -6.254 202 HD1 TRP 26 HD1 TRP 26 1.604 -15.422 -6.892 203 HE1 TRP 26 HE1 TRP 26 -0.396 -16.305 -8.228 204 HE3 TRP 26 HE3 TRP 26 -1.585 -11.478 -6.429 205 HZ2 TRP 26 HZ2 TRP 26 -3.009 -15.463 -9.007 206 HZ3 TRP 26 HZ3 TRP 26 -3.831 -11.537 -7.476 207 HH2 TRP 26 HH2 TRP 26 -4.547 -13.531 -8.764 208 H ALA 27 HN ALA 27 4.310 -11.947 -7.083 209 HA ALA 27 HA ALA 27 6.009 -11.100 -5.032 210 HB1 ALA 27 HB1 ALA 27 6.768 -9.395 -6.612 211 HB2 ALA 27 HB2 ALA 27 5.346 -9.670 -7.619 212 HB3 ALA 27 HB3 ALA 27 6.560 -10.938 -7.440 213 H PHE 28 HN PHE 28 5.994 -9.350 -3.707 214 HA PHE 28 HA PHE 28 3.420 -8.167 -3.162 215 HB2 PHE 28 HB2 PHE 28 5.200 -8.878 -1.475 216 HB3 PHE 28 HB1 PHE 28 6.084 -7.436 -1.958 217 HD1 PHE 28 HD2 PHE 28 4.769 -5.170 -1.878 218 HD2 PHE 28 HD1 PHE 28 3.564 -8.736 0.194 219 HE1 PHE 28 HE2 PHE 28 3.381 -3.810 -0.341 220 HE2 PHE 28 HE1 PHE 28 2.185 -7.374 1.733 221 HZ PHE 28 HZ PHE 28 2.091 -4.912 1.466 222 H CYS 29 HN CYS 29 2.766 -6.715 -4.627 223 HA CYS 29 HA CYS 29 4.655 -4.768 -5.745 224 HB2 CYS 29 HB2 CYS 29 3.047 -5.991 -7.212 225 HB3 CYS 29 HB1 CYS 29 1.725 -5.179 -6.370 226 HG CYS 29 HG CYS 29 3.739 -3.148 -7.390 227 H CYS 30 HN CYS 30 4.688 -2.656 -5.221 228 HA CYS 30 HA CYS 30 2.534 -1.154 -4.206 229 HB2 CYS 30 HB2 CYS 30 4.167 -2.616 -2.201 230 HB3 CYS 30 HB1 CYS 30 3.885 -0.915 -1.840 231 HG CYS 30 HG CYS 30 1.761 -3.122 -1.799
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