NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601533 | 2n7f | 25804 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 -10.046 11.227 0.196 2 HA ARG 1 HA ARG 1 -11.247 10.756 -2.208 3 HB2 ARG 1 2HB ARG 1 -8.257 10.403 -2.269 4 HB3 ARG 1 1HB ARG 1 -9.350 9.515 -3.320 5 HG2 ARG 1 2HG ARG 1 -9.013 12.508 -3.225 6 HG3 ARG 1 1HG ARG 1 -8.418 11.421 -4.485 7 HD2 ARG 1 2HD ARG 1 -11.312 11.975 -3.785 8 HD3 ARG 1 1HD ARG 1 -10.457 12.463 -5.235 9 HE ARG 1 HE ARG 1 -10.281 10.140 -5.853 10 HH11 ARG 1 1HH1 ARG 1 -12.748 10.899 -3.383 11 HH12 ARG 1 2HH1 ARG 1 -13.617 9.458 -3.658 12 HH21 ARG 1 1HH2 ARG 1 -11.596 8.233 -6.244 13 HH22 ARG 1 2HH2 ARG 1 -13.002 7.965 -5.336 14 H ASP 2 H ASP 2 -11.156 8.474 -2.808 15 HA ASP 2 HA ASP 2 -11.732 7.111 -0.342 16 HB2 ASP 2 2HB ASP 2 -12.330 6.369 -3.217 17 HB3 ASP 2 1HB ASP 2 -12.745 5.385 -1.818 18 H CYS 3 H CYS 3 -9.545 7.042 0.192 19 HA CYS 3 HA CYS 3 -8.207 4.624 -0.314 20 HB2 CYS 3 2HB CYS 3 -6.160 5.759 -1.288 21 HB3 CYS 3 1HB CYS 3 -7.516 5.606 -2.403 22 H GLN 4 H GLN 4 -5.859 5.054 0.664 23 HA GLN 4 HA GLN 4 -6.342 6.549 3.195 24 HB2 GLN 4 2HB GLN 4 -5.218 4.823 4.358 25 HB3 GLN 4 1HB GLN 4 -6.317 4.010 3.258 26 HG2 GLN 4 2HG GLN 4 -4.538 3.611 1.692 27 HG3 GLN 4 1HG GLN 4 -3.364 4.350 2.795 28 HE21 GLN 4 1HE2 GLN 4 -5.327 1.789 2.043 29 HE22 GLN 4 2HE2 GLN 4 -4.783 0.655 3.256 30 H GLU 5 H GLU 5 -4.474 7.259 4.204 31 HA GLU 5 HA GLU 5 -2.763 8.651 2.489 32 HB2 GLU 5 2HB GLU 5 -2.788 8.151 5.429 33 HB3 GLU 5 1HB GLU 5 -1.557 9.148 4.643 34 HG2 GLU 5 2HG GLU 5 -4.371 9.482 4.153 35 HG3 GLU 5 1HG GLU 5 -3.721 10.298 5.583 36 H LYS 6 H LYS 6 -0.423 8.569 3.063 37 HA LYS 6 HA LYS 6 0.342 6.088 1.910 38 HB2 LYS 6 2HB LYS 6 2.519 6.993 1.478 39 HB3 LYS 6 1HB LYS 6 1.299 8.195 1.130 40 HG2 LYS 6 2HG LYS 6 1.836 9.060 3.461 41 HG3 LYS 6 1HG LYS 6 3.335 8.155 3.290 42 HD2 LYS 6 2HD LYS 6 3.645 9.348 1.042 43 HD3 LYS 6 1HD LYS 6 2.233 10.314 1.578 44 HE2 LYS 6 2HE LYS 6 3.493 11.105 3.431 45 HE3 LYS 6 1HE LYS 6 4.888 10.165 2.883 46 HZ1 LYS 6 3HZ LYS 6 4.945 11.485 0.862 47 HZ2 LYS 6 1HZ LYS 6 5.016 12.499 2.206 48 HZ3 LYS 6 2HZ LYS 6 3.580 12.339 1.345 49 H TRP 7 H TRP 7 1.068 7.579 4.976 50 HA TRP 7 HA TRP 7 2.784 5.411 5.773 51 HB2 TRP 7 2HB TRP 7 1.777 7.807 7.289 52 HB3 TRP 7 1HB TRP 7 3.023 6.698 7.845 53 HD1 TRP 7 HD TRP 7 2.558 9.845 5.828 54 HE1 TRP 7 1HE TRP 7 4.756 10.553 4.850 55 HE3 TRP 7 3HE TRP 7 5.266 5.564 6.634 56 HZ2 TRP 7 2HZ TRP 7 7.310 9.519 4.419 57 HZ3 TRP 7 3HZ TRP 7 7.607 5.536 5.834 58 HH2 TRP 7 HH TRP 7 8.580 7.480 4.754 59 H GLU 8 H GLU 8 -0.156 4.863 5.323 60 HA GLU 8 HA GLU 8 -1.111 4.519 8.055 61 HB2 GLU 8 2HB GLU 8 -2.548 3.731 5.527 62 HB3 GLU 8 1HB GLU 8 -3.228 3.747 7.145 63 HG2 GLU 8 2HG GLU 8 -2.309 6.088 5.529 64 HG3 GLU 8 1HG GLU 8 -3.966 5.562 5.861 65 H TYR 9 H TYR 9 -2.188 2.061 5.937 66 HA TYR 9 HA TYR 9 -0.641 0.132 7.499 67 HB2 TYR 9 2HB TYR 9 -3.280 -0.182 6.071 68 HB3 TYR 9 1HB TYR 9 -2.398 -1.501 6.827 69 HD1 TYR 9 2HD TYR 9 -2.234 -1.643 9.259 70 HD2 TYR 9 1HD TYR 9 -4.485 1.430 7.374 71 HE1 TYR 9 2HE TYR 9 -3.341 -1.165 11.377 72 HE2 TYR 9 1HE TYR 9 -5.595 1.915 9.488 73 HH TYR 9 HH TYR 9 -6.115 0.734 11.577 74 H CYS 10 H CYS 10 -2.136 0.535 4.334 75 HA CYS 10 HA CYS 10 -1.696 -0.291 2.304 76 HB2 CYS 10 2HB CYS 10 0.412 1.070 2.513 77 HB3 CYS 10 1HB CYS 10 1.206 -0.347 3.187 78 H ILE 11 H ILE 11 -2.727 -2.209 2.357 79 HA ILE 11 HA ILE 11 -1.274 -4.485 3.449 80 HB ILE 11 HB ILE 11 -3.422 -5.723 3.274 81 HG12 ILE 11 2HG1 ILE 11 -4.592 -3.021 2.539 82 HG13 ILE 11 1HG1 ILE 11 -4.430 -4.388 1.446 83 HG21 ILE 11 1HG2 ILE 11 -2.786 -4.706 5.377 84 HG22 ILE 11 2HG2 ILE 11 -4.532 -4.586 5.161 85 HG23 ILE 11 3HG2 ILE 11 -3.512 -3.175 4.885 86 HD11 ILE 11 3HD1 ILE 11 -5.985 -5.671 2.818 87 HD12 ILE 11 1HD1 ILE 11 -6.710 -4.157 2.276 88 HD13 ILE 11 2HD1 ILE 11 -6.125 -4.312 3.933 89 H VAL 12 H VAL 12 -1.402 -6.519 2.252 90 HA VAL 12 HA VAL 12 -0.383 -6.241 -0.320 91 HB VAL 12 HB VAL 12 -0.621 -8.731 -0.531 92 HG11 VAL 12 1HG1 VAL 12 0.927 -9.267 1.314 93 HG12 VAL 12 2HG1 VAL 12 0.598 -7.677 2.008 94 HG13 VAL 12 3HG1 VAL 12 1.370 -7.809 0.431 95 HG21 VAL 12 3HG2 VAL 12 -1.875 -8.485 2.201 96 HG22 VAL 12 1HG2 VAL 12 -1.382 -10.001 1.445 97 HG23 VAL 12 2HG2 VAL 12 -2.677 -9.038 0.734 98 HA PRO 13 HA PRO 13 -3.871 -6.017 -2.988 99 HB2 PRO 13 2HB PRO 13 -2.485 -7.773 -4.908 100 HB3 PRO 13 1HB PRO 13 -2.995 -6.092 -5.093 101 HG2 PRO 13 2HG PRO 13 -0.411 -6.745 -4.833 102 HG3 PRO 13 1HG PRO 13 -1.074 -5.261 -4.123 103 HD2 PRO 13 2HD PRO 13 -0.430 -7.867 -2.803 104 HD3 PRO 13 1HD PRO 13 -0.136 -6.206 -2.243 105 H ILE 14 H ILE 14 -5.499 -7.108 -2.170 106 HA ILE 14 HA ILE 14 -5.871 -9.888 -3.005 107 HB ILE 14 HB ILE 14 -7.315 -10.218 -0.977 108 HG12 ILE 14 2HG1 ILE 14 -6.081 -7.628 -0.015 109 HG13 ILE 14 1HG1 ILE 14 -7.759 -7.816 -0.531 110 HG21 ILE 14 1HG2 ILE 14 -4.438 -9.555 -0.401 111 HG22 ILE 14 2HG2 ILE 14 -5.069 -11.103 -0.964 112 HG23 ILE 14 3HG2 ILE 14 -5.487 -10.511 0.645 113 HD11 ILE 14 3HD1 ILE 14 -7.542 -7.785 1.889 114 HD12 ILE 14 1HD1 ILE 14 -6.456 -9.172 1.817 115 HD13 ILE 14 2HD1 ILE 14 -8.141 -9.344 1.324 116 H LEU 15 H LEU 15 -8.549 -10.182 -2.555 117 HA LEU 15 HA LEU 15 -9.587 -8.470 -4.580 118 HB2 LEU 15 2HB LEU 15 -10.257 -10.829 -4.377 119 HB3 LEU 15 1HB LEU 15 -10.964 -10.492 -2.814 120 HG LEU 15 HG LEU 15 -12.622 -9.011 -3.908 121 HD11 LEU 15 1HD1 LEU 15 -11.379 -8.365 -5.877 122 HD12 LEU 15 2HD1 LEU 15 -12.898 -9.130 -6.342 123 HD13 LEU 15 3HD1 LEU 15 -11.386 -10.029 -6.458 124 HD21 LEU 15 3HD2 LEU 15 -12.508 -11.830 -4.973 125 HD22 LEU 15 1HD2 LEU 15 -13.945 -10.810 -4.913 126 HD23 LEU 15 2HD2 LEU 15 -13.171 -11.332 -3.417 127 H GLY 16 H GLY 16 -10.347 -6.510 -4.241 128 HA2 GLY 16 2HA GLY 16 -11.511 -4.758 -3.310 129 HA3 GLY 16 1HA GLY 16 -12.231 -5.913 -2.204 130 H PHE 17 H PHE 17 -8.776 -5.231 -2.505 131 HA PHE 17 HA PHE 17 -8.663 -4.800 0.339 132 HB2 PHE 17 2HB PHE 17 -6.260 -4.642 0.125 133 HB3 PHE 17 1HB PHE 17 -6.808 -5.940 -0.913 134 HD1 PHE 17 2HD PHE 17 -6.917 -5.498 -3.428 135 HD2 PHE 17 1HD PHE 17 -4.966 -2.875 -0.696 136 HE1 PHE 17 2HE PHE 17 -5.639 -4.513 -5.277 137 HE2 PHE 17 1HE PHE 17 -3.686 -1.902 -2.540 138 HZ PHE 17 HZ PHE 17 -4.018 -2.715 -4.837 139 H VAL 18 H VAL 18 -7.331 -2.802 1.155 140 HA VAL 18 HA VAL 18 -8.553 -0.466 -0.112 141 HB VAL 18 HB VAL 18 -7.356 -0.759 2.677 142 HG11 VAL 18 1HG1 VAL 18 -8.379 1.415 3.155 143 HG12 VAL 18 2HG1 VAL 18 -8.956 1.511 1.494 144 HG13 VAL 18 3HG1 VAL 18 -7.224 1.536 1.826 145 HG21 VAL 18 3HG2 VAL 18 -9.413 -2.058 2.454 146 HG22 VAL 18 1HG2 VAL 18 -10.257 -0.632 1.857 147 HG23 VAL 18 2HG2 VAL 18 -9.658 -0.672 3.517 148 H TYR 19 H TYR 19 -7.224 0.992 -1.018 149 HA TYR 19 HA TYR 19 -4.380 0.304 -0.953 150 HB2 TYR 19 2HB TYR 19 -4.224 1.252 -3.216 151 HB3 TYR 19 1HB TYR 19 -5.353 -0.090 -3.147 152 HD1 TYR 19 1HD TYR 19 -7.846 0.455 -3.175 153 HD2 TYR 19 2HD TYR 19 -4.871 3.374 -4.035 154 HE1 TYR 19 1HE TYR 19 -9.527 1.829 -4.297 155 HE2 TYR 19 2HE TYR 19 -6.550 4.762 -5.157 156 HH TYR 19 HH TYR 19 -8.792 4.328 -6.330 157 H CYS 20 H CYS 20 -2.903 2.121 -1.370 158 HA CYS 20 HA CYS 20 -3.824 4.390 0.157 159 HB2 CYS 20 2HB CYS 20 -1.460 5.138 0.093 160 HB3 CYS 20 1HB CYS 20 -1.639 3.537 0.790 161 H CYS 21 H CYS 21 -3.812 6.371 -0.542 162 HA CYS 21 HA CYS 21 -4.956 6.979 -2.937 163 HB2 CYS 21 2HB CYS 21 -3.275 8.721 -1.162 164 HB3 CYS 21 1HB CYS 21 -4.270 9.329 -2.496 165 HA PRO 22 HA PRO 22 -2.184 6.970 -6.300 166 HB2 PRO 22 2HB PRO 22 -2.939 9.261 -7.639 167 HB3 PRO 22 1HB PRO 22 -3.816 7.727 -7.704 168 HG2 PRO 22 2HG PRO 22 -4.367 10.147 -6.042 169 HG3 PRO 22 1HG PRO 22 -5.506 9.097 -6.906 170 HD2 PRO 22 2HD PRO 22 -5.111 8.902 -4.251 171 HD3 PRO 22 1HD PRO 22 -5.444 7.471 -5.243 172 H GLY 23 H GLY 23 -0.219 7.731 -6.912 173 HA2 GLY 23 2HA GLY 23 1.521 9.294 -7.097 174 HA3 GLY 23 1HA GLY 23 0.698 10.324 -5.926 175 H LEU 24 H LEU 24 0.707 7.131 -4.940 176 HA LEU 24 HA LEU 24 3.068 7.600 -3.253 177 HB2 LEU 24 2HB LEU 24 0.698 5.966 -2.355 178 HB3 LEU 24 1HB LEU 24 2.024 6.593 -1.459 179 HG LEU 24 HG LEU 24 -0.014 8.432 -2.663 180 HD11 LEU 24 1HD1 LEU 24 0.122 7.114 -0.007 181 HD12 LEU 24 2HD1 LEU 24 -1.206 7.092 -1.184 182 HD13 LEU 24 3HD1 LEU 24 -0.831 8.576 -0.296 183 HD21 LEU 24 3HD2 LEU 24 0.912 10.008 -0.982 184 HD22 LEU 24 1HD2 LEU 24 2.095 9.486 -2.177 185 HD23 LEU 24 2HD2 LEU 24 2.131 8.809 -0.558 186 H ILE 25 H ILE 25 4.186 5.721 -2.683 187 HA ILE 25 HA ILE 25 3.490 3.321 -4.176 188 HB ILE 25 HB ILE 25 5.934 2.863 -4.440 189 HG12 ILE 25 2HG1 ILE 25 6.705 4.604 -2.736 190 HG13 ILE 25 1HG1 ILE 25 7.616 4.529 -4.225 191 HG21 ILE 25 1HG2 ILE 25 4.868 5.225 -5.949 192 HG22 ILE 25 2HG2 ILE 25 4.656 3.518 -6.341 193 HG23 ILE 25 3HG2 ILE 25 6.257 4.252 -6.432 194 HD11 ILE 25 3HD1 ILE 25 5.551 6.609 -3.519 195 HD12 ILE 25 1HD1 ILE 25 6.473 6.544 -5.022 196 HD13 ILE 25 2HD1 ILE 25 7.301 6.822 -3.489 197 H CYS 26 H CYS 26 3.675 1.465 -3.036 198 HA CYS 26 HA CYS 26 4.278 1.728 -0.197 199 HB2 CYS 26 2HB CYS 26 2.296 0.440 -1.325 200 HB3 CYS 26 1HB CYS 26 3.496 -0.831 -1.574 201 H GLY 27 H GLY 27 6.211 1.428 0.512 202 HA2 GLY 27 2HA GLY 27 8.031 -0.311 -1.035 203 HA3 GLY 27 1HA GLY 27 8.467 1.354 -0.662 204 HA PRO 28 HA PRO 28 10.413 0.473 3.126 205 HB2 PRO 28 2HB PRO 28 8.890 1.919 4.967 206 HB3 PRO 28 1HB PRO 28 10.260 2.538 4.045 207 HG2 PRO 28 2HG PRO 28 7.335 2.788 3.512 208 HG3 PRO 28 1HG PRO 28 8.627 3.974 3.250 209 HD2 PRO 28 2HD PRO 28 7.580 2.634 1.210 210 HD3 PRO 28 1HD PRO 28 9.326 2.950 1.279 211 H PHE 29 H PHE 29 6.912 0.279 3.346 212 HA PHE 29 HA PHE 29 6.592 -2.204 4.416 213 HB2 PHE 29 2HB PHE 29 7.838 -1.205 6.391 214 HB3 PHE 29 1HB PHE 29 6.522 -0.050 6.546 215 HD1 PHE 29 2HD PHE 29 6.865 -3.666 6.107 216 HD2 PHE 29 1HD PHE 29 5.101 -0.493 8.224 217 HE1 PHE 29 2HE PHE 29 5.674 -5.324 7.543 218 HE2 PHE 29 1HE PHE 29 3.887 -2.090 9.680 219 HZ PHE 29 HZ PHE 29 4.182 -4.516 9.333 220 H VAL 30 H VAL 30 5.836 1.121 4.227 221 HA VAL 30 HA VAL 30 3.016 0.585 3.757 222 HB VAL 30 HB VAL 30 2.565 2.862 4.794 223 HG11 VAL 30 1HG1 VAL 30 3.800 0.831 6.646 224 HG12 VAL 30 2HG1 VAL 30 2.132 0.834 6.074 225 HG13 VAL 30 3HG1 VAL 30 2.707 2.132 7.119 226 HG21 VAL 30 3HG2 VAL 30 4.253 3.790 6.307 227 HG22 VAL 30 1HG2 VAL 30 4.803 3.795 4.629 228 HG23 VAL 30 2HG2 VAL 30 5.408 2.578 5.753 229 H CYS 31 H CYS 31 2.288 3.012 2.898 230 HA CYS 31 HA CYS 31 3.764 3.360 0.433 231 HB2 CYS 31 2HB CYS 31 1.199 4.437 1.540 232 HB3 CYS 31 1HB CYS 31 1.842 4.915 -0.048 233 H VAL 32 H VAL 32 4.167 5.531 -0.266 234 HA VAL 32 HA VAL 32 4.679 7.541 1.599 235 HB VAL 32 HB VAL 32 6.542 6.050 2.221 236 HG11 VAL 32 1HG1 VAL 32 8.364 5.558 0.642 237 HG12 VAL 32 2HG1 VAL 32 7.419 6.290 -0.656 238 HG13 VAL 32 3HG1 VAL 32 6.834 4.833 0.143 239 HG21 VAL 32 3HG2 VAL 32 7.423 8.526 0.737 240 HG22 VAL 32 1HG2 VAL 32 8.396 7.632 1.914 241 HG23 VAL 32 2HG2 VAL 32 6.905 8.408 2.423 Start of MODEL 2 1 H1 ARG 1 H ARG 1 -10.348 10.192 -3.594 2 HA ARG 1 HA ARG 1 -11.823 8.420 -5.201 3 HB2 ARG 1 2HB ARG 1 -9.485 8.486 -6.335 4 HB3 ARG 1 1HB ARG 1 -8.891 7.755 -4.854 5 HG2 ARG 1 2HG ARG 1 -10.600 5.909 -5.259 6 HG3 ARG 1 1HG ARG 1 -10.785 6.585 -6.875 7 HD2 ARG 1 2HD ARG 1 -9.178 4.911 -7.174 8 HD3 ARG 1 1HD ARG 1 -8.221 6.383 -7.011 9 HE ARG 1 HE ARG 1 -8.728 4.809 -4.622 10 HH11 ARG 1 1HH1 ARG 1 -6.378 5.730 -7.132 11 HH12 ARG 1 2HH1 ARG 1 -5.018 5.109 -6.331 12 HH21 ARG 1 1HH2 ARG 1 -6.819 3.900 -3.510 13 HH22 ARG 1 2HH2 ARG 1 -5.266 4.081 -4.203 14 H ASP 2 H ASP 2 -12.079 6.437 -3.915 15 HA ASP 2 HA ASP 2 -11.626 6.733 -1.148 16 HB2 ASP 2 2HB ASP 2 -13.471 5.345 -1.993 17 HB3 ASP 2 1HB ASP 2 -12.315 4.269 -2.771 18 H CYS 3 H CYS 3 -9.724 6.706 -0.383 19 HA CYS 3 HA CYS 3 -7.894 4.575 -0.889 20 HB2 CYS 3 2HB CYS 3 -6.074 6.034 -1.630 21 HB3 CYS 3 1HB CYS 3 -7.382 5.967 -2.802 22 H GLN 4 H GLN 4 -5.850 5.043 0.376 23 HA GLN 4 HA GLN 4 -6.616 6.451 2.836 24 HB2 GLN 4 2HB GLN 4 -5.569 4.750 4.107 25 HB3 GLN 4 1HB GLN 4 -6.623 3.968 2.928 26 HG2 GLN 4 2HG GLN 4 -4.794 3.381 1.552 27 HG3 GLN 4 1HG GLN 4 -3.663 4.269 2.581 28 HE21 GLN 4 1HE2 GLN 4 -3.594 1.578 1.828 29 HE22 GLN 4 2HE2 GLN 4 -3.714 0.601 3.242 30 H GLU 5 H GLU 5 -4.788 6.994 4.110 31 HA GLU 5 HA GLU 5 -3.057 8.653 2.709 32 HB2 GLU 5 2HB GLU 5 -3.242 7.752 5.527 33 HB3 GLU 5 1HB GLU 5 -2.015 8.919 5.015 34 HG2 GLU 5 2HG GLU 5 -4.803 9.139 4.338 35 HG3 GLU 5 1HG GLU 5 -4.307 9.808 5.920 36 H LYS 6 H LYS 6 -0.782 8.683 3.165 37 HA LYS 6 HA LYS 6 0.221 6.295 1.948 38 HB2 LYS 6 2HB LYS 6 2.092 7.448 1.203 39 HB3 LYS 6 1HB LYS 6 0.861 8.681 1.283 40 HG2 LYS 6 2HG LYS 6 1.956 9.164 3.593 41 HG3 LYS 6 1HG LYS 6 3.327 8.352 2.911 42 HD2 LYS 6 2HD LYS 6 2.938 9.932 0.808 43 HD3 LYS 6 1HD LYS 6 1.972 10.832 2.000 44 HE2 LYS 6 2HE LYS 6 3.820 11.141 3.364 45 HE3 LYS 6 1HE LYS 6 4.867 10.195 2.299 46 HZ1 LYS 6 3HZ LYS 6 5.176 12.536 1.902 47 HZ2 LYS 6 1HZ LYS 6 3.540 12.786 1.667 48 HZ3 LYS 6 2HZ LYS 6 4.437 11.893 0.555 49 H TRP 7 H TRP 7 0.906 7.920 4.970 50 HA TRP 7 HA TRP 7 2.860 5.950 5.719 51 HB2 TRP 7 2HB TRP 7 1.598 8.175 7.299 52 HB3 TRP 7 1HB TRP 7 2.935 7.181 7.863 53 HD1 TRP 7 HD TRP 7 2.213 10.288 5.967 54 HE1 TRP 7 1HE TRP 7 4.355 11.229 4.959 55 HE3 TRP 7 3HE TRP 7 5.274 6.265 6.630 56 HZ2 TRP 7 2HZ TRP 7 7.001 10.411 4.490 57 HZ3 TRP 7 3HZ TRP 7 7.605 6.432 5.834 58 HH2 TRP 7 HH TRP 7 8.437 8.460 4.799 59 H GLU 8 H GLU 8 0.044 5.112 5.289 60 HA GLU 8 HA GLU 8 -0.862 4.188 7.882 61 HB2 GLU 8 2HB GLU 8 -1.922 3.768 5.096 62 HB3 GLU 8 1HB GLU 8 -2.665 3.105 6.541 63 HG2 GLU 8 2HG GLU 8 -2.267 6.014 5.939 64 HG3 GLU 8 1HG GLU 8 -3.778 5.107 5.792 65 H TYR 9 H TYR 9 -1.692 1.729 7.628 66 HA TYR 9 HA TYR 9 0.709 0.260 7.835 67 HB2 TYR 9 2HB TYR 9 -2.124 -0.806 7.766 68 HB3 TYR 9 1HB TYR 9 -0.702 -1.704 8.276 69 HD1 TYR 9 1HD TYR 9 0.665 -0.638 10.236 70 HD2 TYR 9 2HD TYR 9 -3.384 0.307 9.371 71 HE1 TYR 9 1HE TYR 9 0.365 0.177 12.529 72 HE2 TYR 9 2HE TYR 9 -3.690 1.129 11.654 73 HH TYR 9 HH TYR 9 -2.675 0.845 13.861 74 H CYS 10 H CYS 10 -1.530 0.659 5.242 75 HA CYS 10 HA CYS 10 -1.318 0.352 3.019 76 HB2 CYS 10 2HB CYS 10 1.046 0.978 3.241 77 HB3 CYS 10 1HB CYS 10 1.481 -0.681 3.626 78 H ILE 11 H ILE 11 -1.688 -2.013 5.112 79 HA ILE 11 HA ILE 11 -1.486 -4.138 3.153 80 HB ILE 11 HB ILE 11 -2.028 -5.669 5.168 81 HG12 ILE 11 2HG1 ILE 11 -1.074 -4.777 7.339 82 HG13 ILE 11 1HG1 ILE 11 -1.075 -3.179 6.621 83 HG21 ILE 11 1HG2 ILE 11 0.063 -5.670 3.979 84 HG22 ILE 11 2HG2 ILE 11 0.334 -5.845 5.709 85 HG23 ILE 11 3HG2 ILE 11 0.628 -4.292 4.926 86 HD11 ILE 11 3HD1 ILE 11 -2.964 -3.464 8.102 87 HD12 ILE 11 1HD1 ILE 11 -3.494 -4.882 7.195 88 HD13 ILE 11 2HD1 ILE 11 -3.523 -3.290 6.439 89 H VAL 12 H VAL 12 -3.067 -5.610 2.705 90 HA VAL 12 HA VAL 12 -5.783 -4.887 3.500 91 HB VAL 12 HB VAL 12 -4.957 -5.775 0.703 92 HG11 VAL 12 1HG1 VAL 12 -7.683 -4.962 1.721 93 HG12 VAL 12 2HG1 VAL 12 -7.157 -6.594 1.328 94 HG13 VAL 12 3HG1 VAL 12 -7.273 -5.380 0.059 95 HG21 VAL 12 3HG2 VAL 12 -4.297 -3.451 1.086 96 HG22 VAL 12 1HG2 VAL 12 -5.938 -3.059 1.601 97 HG23 VAL 12 2HG2 VAL 12 -5.627 -3.538 -0.069 98 HA PRO 13 HA PRO 13 -5.062 -9.372 4.161 99 HB2 PRO 13 2HB PRO 13 -5.592 -9.506 6.752 100 HB3 PRO 13 1HB PRO 13 -4.048 -8.873 6.182 101 HG2 PRO 13 2HG PRO 13 -6.410 -7.396 7.256 102 HG3 PRO 13 1HG PRO 13 -4.689 -7.031 7.437 103 HD2 PRO 13 2HD PRO 13 -6.464 -5.851 5.594 104 HD3 PRO 13 1HD PRO 13 -4.695 -5.733 5.563 105 H ILE 14 H ILE 14 -7.651 -7.263 4.609 106 HA ILE 14 HA ILE 14 -9.640 -9.380 4.479 107 HB ILE 14 HB ILE 14 -9.729 -6.988 6.370 108 HG12 ILE 14 2HG1 ILE 14 -9.628 -9.943 7.033 109 HG13 ILE 14 1HG1 ILE 14 -8.291 -8.815 7.198 110 HG21 ILE 14 1HG2 ILE 14 -11.940 -7.463 5.440 111 HG22 ILE 14 2HG2 ILE 14 -11.879 -7.846 7.159 112 HG23 ILE 14 3HG2 ILE 14 -11.811 -9.143 5.969 113 HD11 ILE 14 3HD1 ILE 14 -9.349 -9.281 9.330 114 HD12 ILE 14 1HD1 ILE 14 -10.891 -8.700 8.702 115 HD13 ILE 14 2HD1 ILE 14 -9.537 -7.584 8.884 116 H LEU 15 H LEU 15 -11.305 -8.735 3.141 117 HA LEU 15 HA LEU 15 -10.820 -6.590 1.382 118 HB2 LEU 15 2HB LEU 15 -12.120 -8.664 0.831 119 HB3 LEU 15 1HB LEU 15 -13.407 -8.085 1.866 120 HG LEU 15 HG LEU 15 -13.704 -6.146 0.369 121 HD11 LEU 15 1HD1 LEU 15 -11.678 -7.552 -1.366 122 HD12 LEU 15 2HD1 LEU 15 -11.466 -5.995 -0.563 123 HD13 LEU 15 3HD1 LEU 15 -12.657 -6.168 -1.847 124 HD21 LEU 15 3HD2 LEU 15 -13.882 -8.840 -0.974 125 HD22 LEU 15 1HD2 LEU 15 -14.747 -7.387 -1.470 126 HD23 LEU 15 2HD2 LEU 15 -15.090 -8.125 0.093 127 H GLY 16 H GLY 16 -11.590 -4.525 1.418 128 HA2 GLY 16 2HA GLY 16 -13.297 -2.967 2.267 129 HA3 GLY 16 1HA GLY 16 -13.072 -3.734 3.838 130 H PHE 17 H PHE 17 -10.139 -3.899 2.785 131 HA PHE 17 HA PHE 17 -9.350 -1.228 3.663 132 HB2 PHE 17 2HB PHE 17 -7.777 -3.804 3.290 133 HB3 PHE 17 1HB PHE 17 -7.001 -2.258 3.605 134 HD1 PHE 17 2HD PHE 17 -9.348 -4.769 5.018 135 HD2 PHE 17 1HD PHE 17 -6.798 -1.449 5.791 136 HE1 PHE 17 2HE PHE 17 -9.594 -5.139 7.442 137 HE2 PHE 17 1HE PHE 17 -7.040 -1.819 8.203 138 HZ PHE 17 HZ PHE 17 -8.442 -3.666 9.030 139 H VAL 18 H VAL 18 -7.980 0.029 2.271 140 HA VAL 18 HA VAL 18 -8.350 -0.769 -0.529 141 HB VAL 18 HB VAL 18 -9.930 0.999 0.246 142 HG11 VAL 18 1HG1 VAL 18 -7.466 2.675 0.587 143 HG12 VAL 18 2HG1 VAL 18 -8.556 2.128 1.855 144 HG13 VAL 18 3HG1 VAL 18 -9.125 3.274 0.637 145 HG21 VAL 18 3HG2 VAL 18 -7.968 1.882 -1.872 146 HG22 VAL 18 1HG2 VAL 18 -9.581 2.554 -1.639 147 HG23 VAL 18 2HG2 VAL 18 -9.389 0.869 -2.118 148 H TYR 19 H TYR 19 -6.842 0.116 -2.000 149 HA TYR 19 HA TYR 19 -4.140 0.202 -1.213 150 HB2 TYR 19 2HB TYR 19 -5.483 1.216 -3.735 151 HB3 TYR 19 1HB TYR 19 -3.755 0.979 -3.542 152 HD1 TYR 19 1HD TYR 19 -2.828 -1.295 -3.433 153 HD2 TYR 19 2HD TYR 19 -6.969 -0.643 -4.133 154 HE1 TYR 19 1HE TYR 19 -3.050 -3.590 -4.232 155 HE2 TYR 19 2HE TYR 19 -7.205 -2.941 -4.918 156 HH TYR 19 HH TYR 19 -4.961 -5.305 -4.401 157 H CYS 20 H CYS 20 -2.741 2.043 -1.139 158 HA CYS 20 HA CYS 20 -3.938 4.307 0.019 159 HB2 CYS 20 2HB CYS 20 -1.621 5.285 0.044 160 HB3 CYS 20 1HB CYS 20 -1.743 3.714 0.809 161 H CYS 21 H CYS 21 -3.702 6.439 -0.622 162 HA CYS 21 HA CYS 21 -4.960 7.043 -3.015 163 HB2 CYS 21 2HB CYS 21 -3.262 8.802 -1.264 164 HB3 CYS 21 1HB CYS 21 -4.269 9.408 -2.590 165 HA PRO 22 HA PRO 22 -2.204 6.942 -6.354 166 HB2 PRO 22 2HB PRO 22 -2.968 9.160 -7.801 167 HB3 PRO 22 1HB PRO 22 -3.824 7.616 -7.803 168 HG2 PRO 22 2HG PRO 22 -4.448 10.113 -6.304 169 HG3 PRO 22 1HG PRO 22 -5.547 8.962 -7.077 170 HD2 PRO 22 2HD PRO 22 -5.121 9.004 -4.407 171 HD3 PRO 22 1HD PRO 22 -5.493 7.510 -5.280 172 H GLY 23 H GLY 23 -0.233 7.568 -6.843 173 HA2 GLY 23 2HA GLY 23 1.513 9.149 -7.151 174 HA3 GLY 23 1HA GLY 23 0.693 10.230 -6.028 175 H LEU 24 H LEU 24 0.466 7.286 -4.699 176 HA LEU 24 HA LEU 24 2.914 7.708 -3.128 177 HB2 LEU 24 2HB LEU 24 0.584 6.093 -2.135 178 HB3 LEU 24 1HB LEU 24 1.865 6.864 -1.292 179 HG LEU 24 HG LEU 24 -0.219 8.517 -2.673 180 HD11 LEU 24 1HD1 LEU 24 -1.376 7.219 -1.105 181 HD12 LEU 24 2HD1 LEU 24 -1.117 8.800 -0.329 182 HD13 LEU 24 3HD1 LEU 24 -0.090 7.404 0.069 183 HD21 LEU 24 3HD2 LEU 24 1.799 9.116 -0.515 184 HD22 LEU 24 1HD2 LEU 24 0.610 10.257 -1.133 185 HD23 LEU 24 2HD2 LEU 24 1.892 9.660 -2.189 186 H ILE 25 H ILE 25 4.011 5.903 -2.514 187 HA ILE 25 HA ILE 25 3.399 3.400 -3.927 188 HB ILE 25 HB ILE 25 5.843 3.033 -4.332 189 HG12 ILE 25 2HG1 ILE 25 6.114 5.972 -3.619 190 HG13 ILE 25 1HG1 ILE 25 6.704 4.635 -2.643 191 HG21 ILE 25 1HG2 ILE 25 4.425 3.763 -6.154 192 HG22 ILE 25 2HG2 ILE 25 6.023 4.491 -6.298 193 HG23 ILE 25 3HG2 ILE 25 4.669 5.449 -5.698 194 HD11 ILE 25 3HD1 ILE 25 8.250 4.021 -4.441 195 HD12 ILE 25 1HD1 ILE 25 8.501 5.678 -3.890 196 HD13 ILE 25 2HD1 ILE 25 7.652 5.371 -5.406 197 H CYS 26 H CYS 26 3.701 1.580 -2.743 198 HA CYS 26 HA CYS 26 4.309 1.948 0.069 199 HB2 CYS 26 2HB CYS 26 2.406 0.543 -0.974 200 HB3 CYS 26 1HB CYS 26 3.653 -0.661 -1.295 201 H GLY 27 H GLY 27 6.377 2.273 0.316 202 HA2 GLY 27 2HA GLY 27 8.365 0.961 -1.288 203 HA3 GLY 27 1HA GLY 27 8.680 2.071 0.032 204 HA PRO 28 HA PRO 28 9.724 -1.543 2.314 205 HB2 PRO 28 2HB PRO 28 9.293 -0.350 4.891 206 HB3 PRO 28 1HB PRO 28 10.819 -0.537 4.036 207 HG2 PRO 28 2HG PRO 28 9.599 1.904 4.526 208 HG3 PRO 28 1HG PRO 28 10.796 1.598 3.260 209 HD2 PRO 28 2HD PRO 28 7.820 1.767 3.050 210 HD3 PRO 28 1HD PRO 28 9.073 2.341 1.928 211 H PHE 29 H PHE 29 7.431 -0.138 4.604 212 HA PHE 29 HA PHE 29 5.680 -2.445 4.111 213 HB2 PHE 29 2HB PHE 29 6.239 -1.060 6.741 214 HB3 PHE 29 1HB PHE 29 5.059 -2.339 6.514 215 HD1 PHE 29 2HD PHE 29 8.653 -1.562 6.684 216 HD2 PHE 29 1HD PHE 29 5.741 -4.640 6.313 217 HE1 PHE 29 2HE PHE 29 10.383 -3.245 7.144 218 HE2 PHE 29 1HE PHE 29 7.466 -6.332 6.774 219 HZ PHE 29 HZ PHE 29 9.792 -5.636 7.189 220 H VAL 30 H VAL 30 5.996 0.958 4.293 221 HA VAL 30 HA VAL 30 3.076 1.263 4.269 222 HB VAL 30 HB VAL 30 3.344 3.476 5.256 223 HG11 VAL 30 1HG1 VAL 30 3.058 1.647 6.803 224 HG12 VAL 30 2HG1 VAL 30 4.119 2.871 7.503 225 HG13 VAL 30 3HG1 VAL 30 4.801 1.379 6.852 226 HG21 VAL 30 3HG2 VAL 30 5.503 4.104 4.352 227 HG22 VAL 30 1HG2 VAL 30 6.292 2.858 5.321 228 HG23 VAL 30 2HG2 VAL 30 5.534 4.237 6.113 229 H CYS 31 H CYS 31 2.451 3.365 3.169 230 HA CYS 31 HA CYS 31 3.831 3.636 0.609 231 HB2 CYS 31 2HB CYS 31 1.223 4.684 1.686 232 HB3 CYS 31 1HB CYS 31 1.844 5.108 0.087 233 H VAL 32 H VAL 32 4.296 5.680 -0.173 234 HA VAL 32 HA VAL 32 4.490 7.917 1.505 235 HB VAL 32 HB VAL 32 6.416 6.757 2.440 236 HG11 VAL 32 1HG1 VAL 32 8.359 6.101 1.059 237 HG12 VAL 32 2HG1 VAL 32 7.469 6.557 -0.394 238 HG13 VAL 32 3HG1 VAL 32 6.904 5.215 0.601 239 HG21 VAL 32 3HG2 VAL 32 6.651 9.150 2.203 240 HG22 VAL 32 1HG2 VAL 32 7.283 8.959 0.564 241 HG23 VAL 32 2HG2 VAL 32 8.205 8.370 1.951 Start of MODEL 3 1 H1 ARG 1 H ARG 1 -11.978 10.784 0.938 2 HA ARG 1 HA ARG 1 -11.740 10.482 -1.857 3 HB2 ARG 1 2HB ARG 1 -9.267 10.373 -0.136 4 HB3 ARG 1 1HB ARG 1 -9.374 9.834 -1.801 5 HG2 ARG 1 2HG ARG 1 -9.771 12.097 -2.547 6 HG3 ARG 1 1HG ARG 1 -9.781 12.666 -0.873 7 HD2 ARG 1 2HD ARG 1 -7.473 11.350 -2.281 8 HD3 ARG 1 1HD ARG 1 -7.609 13.078 -1.926 9 HE ARG 1 HE ARG 1 -7.954 11.574 0.399 10 HH11 ARG 1 1HH1 ARG 1 -5.331 12.365 -1.847 11 HH12 ARG 1 2HH1 ARG 1 -4.114 12.444 -0.665 12 HH21 ARG 1 1HH2 ARG 1 -6.278 11.635 2.052 13 HH22 ARG 1 2HH2 ARG 1 -4.666 11.982 1.631 14 H ASP 2 H ASP 2 -11.101 8.239 -2.250 15 HA ASP 2 HA ASP 2 -11.651 6.577 0.092 16 HB2 ASP 2 2HB ASP 2 -13.521 6.390 -1.533 17 HB3 ASP 2 1HB ASP 2 -12.377 5.792 -2.738 18 H CYS 3 H CYS 3 -9.578 6.570 0.558 19 HA CYS 3 HA CYS 3 -8.007 4.486 -0.360 20 HB2 CYS 3 2HB CYS 3 -6.151 5.845 -1.332 21 HB3 CYS 3 1HB CYS 3 -7.588 5.854 -2.347 22 H GLN 4 H GLN 4 -5.740 4.919 0.654 23 HA GLN 4 HA GLN 4 -6.204 6.374 3.160 24 HB2 GLN 4 2HB GLN 4 -5.083 4.612 4.324 25 HB3 GLN 4 1HB GLN 4 -6.210 3.906 3.172 26 HG2 GLN 4 2HG GLN 4 -4.553 3.371 1.649 27 HG3 GLN 4 1HG GLN 4 -3.299 4.141 2.625 28 HE21 GLN 4 1HE2 GLN 4 -3.585 1.421 1.718 29 HE22 GLN 4 2HE2 GLN 4 -3.570 0.455 3.179 30 H GLU 5 H GLU 5 -4.405 7.199 4.069 31 HA GLU 5 HA GLU 5 -2.857 8.677 2.234 32 HB2 GLU 5 2HB GLU 5 -2.627 8.320 5.184 33 HB3 GLU 5 1HB GLU 5 -1.772 9.579 4.265 34 HG2 GLU 5 2HG GLU 5 -4.057 10.374 3.569 35 HG3 GLU 5 1HG GLU 5 -4.702 9.220 4.727 36 H LYS 6 H LYS 6 -0.337 8.829 3.129 37 HA LYS 6 HA LYS 6 0.637 6.452 1.877 38 HB2 LYS 6 2HB LYS 6 2.845 7.574 1.835 39 HB3 LYS 6 1HB LYS 6 1.565 8.579 1.177 40 HG2 LYS 6 2HG LYS 6 1.408 9.428 3.546 41 HG3 LYS 6 1HG LYS 6 3.066 8.883 3.728 42 HD2 LYS 6 2HD LYS 6 2.092 10.806 1.596 43 HD3 LYS 6 1HD LYS 6 2.826 11.323 3.106 44 HE2 LYS 6 2HE LYS 6 4.904 10.153 2.435 45 HE3 LYS 6 1HE LYS 6 4.118 9.698 0.921 46 HZ1 LYS 6 3HZ LYS 6 3.891 12.005 0.335 47 HZ2 LYS 6 1HZ LYS 6 5.498 11.688 0.670 48 HZ3 LYS 6 2HZ LYS 6 4.546 12.516 1.790 49 H TRP 7 H TRP 7 1.178 7.855 5.087 50 HA TRP 7 HA TRP 7 2.877 5.622 5.808 51 HB2 TRP 7 2HB TRP 7 1.914 7.943 7.488 52 HB3 TRP 7 1HB TRP 7 3.164 6.792 7.949 53 HD1 TRP 7 HD TRP 7 2.705 10.062 6.295 54 HE1 TRP 7 1HE TRP 7 4.899 10.860 5.214 55 HE3 TRP 7 3HE TRP 7 5.379 5.724 6.537 56 HZ2 TRP 7 2HZ TRP 7 7.398 9.818 4.550 57 HZ3 TRP 7 3HZ TRP 7 7.673 5.718 5.640 58 HH2 TRP 7 HH TRP 7 8.646 7.736 4.662 59 H GLU 8 H GLU 8 0.111 5.078 5.206 60 HA GLU 8 HA GLU 8 -1.204 4.515 7.725 61 HB2 GLU 8 2HB GLU 8 -2.033 3.980 4.879 62 HB3 GLU 8 1HB GLU 8 -3.027 3.679 6.294 63 HG2 GLU 8 2HG GLU 8 -1.998 6.340 5.427 64 HG3 GLU 8 1HG GLU 8 -3.611 5.674 5.145 65 H TYR 9 H TYR 9 -2.480 2.133 6.546 66 HA TYR 9 HA TYR 9 -0.704 0.248 7.710 67 HB2 TYR 9 2HB TYR 9 -3.331 -0.251 6.313 68 HB3 TYR 9 1HB TYR 9 -2.555 -1.271 7.522 69 HD1 TYR 9 2HD TYR 9 -2.077 -0.043 9.839 70 HD2 TYR 9 1HD TYR 9 -5.012 1.202 7.016 71 HE1 TYR 9 2HE TYR 9 -3.227 1.203 11.590 72 HE2 TYR 9 1HE TYR 9 -6.155 2.467 8.758 73 HH TYR 9 HH TYR 9 -6.324 2.428 11.247 74 H CYS 10 H CYS 10 -1.632 1.220 4.526 75 HA CYS 10 HA CYS 10 -1.145 0.615 2.428 76 HB2 CYS 10 2HB CYS 10 1.176 1.008 3.004 77 HB3 CYS 10 1HB CYS 10 1.338 -0.618 3.672 78 H ILE 11 H ILE 11 -2.561 -0.665 1.561 79 HA ILE 11 HA ILE 11 -2.676 -3.452 2.449 80 HB ILE 11 HB ILE 11 -4.696 -1.805 0.881 81 HG12 ILE 11 2HG1 ILE 11 -4.807 -2.749 3.757 82 HG13 ILE 11 1HG1 ILE 11 -4.426 -1.108 3.260 83 HG21 ILE 11 1HG2 ILE 11 -4.844 -4.169 0.315 84 HG22 ILE 11 2HG2 ILE 11 -6.237 -3.693 1.292 85 HG23 ILE 11 3HG2 ILE 11 -4.907 -4.590 2.026 86 HD11 ILE 11 3HD1 ILE 11 -7.028 -2.547 2.795 87 HD12 ILE 11 1HD1 ILE 11 -6.662 -0.900 2.281 88 HD13 ILE 11 2HD1 ILE 11 -6.727 -1.293 3.999 89 H VAL 12 H VAL 12 -2.103 -5.023 1.034 90 HA VAL 12 HA VAL 12 -1.432 -4.210 -1.705 91 HB VAL 12 HB VAL 12 -0.541 -6.707 -0.235 92 HG11 VAL 12 1HG1 VAL 12 1.188 -6.845 -1.966 93 HG12 VAL 12 2HG1 VAL 12 0.491 -5.434 -2.760 94 HG13 VAL 12 3HG1 VAL 12 -0.441 -6.926 -2.638 95 HG21 VAL 12 3HG2 VAL 12 0.347 -4.770 0.941 96 HG22 VAL 12 1HG2 VAL 12 0.988 -4.121 -0.566 97 HG23 VAL 12 2HG2 VAL 12 1.640 -5.618 0.096 98 HA PRO 13 HA PRO 13 -5.168 -6.806 -2.306 99 HB2 PRO 13 2HB PRO 13 -5.577 -5.294 -4.747 100 HB3 PRO 13 1HB PRO 13 -6.583 -5.345 -3.300 101 HG2 PRO 13 2HG PRO 13 -5.166 -3.146 -4.050 102 HG3 PRO 13 1HG PRO 13 -5.552 -3.525 -2.363 103 HD2 PRO 13 2HD PRO 13 -3.003 -3.967 -3.867 104 HD3 PRO 13 1HD PRO 13 -3.257 -3.382 -2.207 105 H ILE 14 H ILE 14 -2.605 -5.994 -4.559 106 HA ILE 14 HA ILE 14 -2.793 -8.630 -5.807 107 HB ILE 14 HB ILE 14 -2.492 -6.030 -7.386 108 HG12 ILE 14 2HG1 ILE 14 -4.822 -7.965 -7.438 109 HG13 ILE 14 1HG1 ILE 14 -4.837 -6.391 -6.655 110 HG21 ILE 14 1HG2 ILE 14 -2.628 -8.871 -8.376 111 HG22 ILE 14 2HG2 ILE 14 -1.199 -7.840 -8.346 112 HG23 ILE 14 3HG2 ILE 14 -2.561 -7.429 -9.388 113 HD11 ILE 14 3HD1 ILE 14 -4.478 -6.888 -9.601 114 HD12 ILE 14 1HD1 ILE 14 -4.515 -5.309 -8.814 115 HD13 ILE 14 2HD1 ILE 14 -5.953 -6.333 -8.809 116 H LEU 15 H LEU 15 -0.674 -9.362 -6.246 117 HA LEU 15 HA LEU 15 1.421 -8.084 -4.913 118 HB2 LEU 15 2HB LEU 15 2.962 -9.665 -5.949 119 HB3 LEU 15 1HB LEU 15 1.528 -10.491 -5.401 120 HG LEU 15 HG LEU 15 2.077 -9.785 -8.299 121 HD11 LEU 15 1HD1 LEU 15 2.482 -12.389 -6.840 122 HD12 LEU 15 2HD1 LEU 15 3.750 -11.339 -7.472 123 HD13 LEU 15 3HD1 LEU 15 2.642 -12.148 -8.579 124 HD21 LEU 15 3HD2 LEU 15 0.052 -11.651 -7.043 125 HD22 LEU 15 1HD2 LEU 15 0.340 -11.467 -8.774 126 HD23 LEU 15 2HD2 LEU 15 -0.297 -10.117 -7.844 127 H GLY 16 H GLY 16 2.541 -6.366 -5.364 128 HA2 GLY 16 2HA GLY 16 3.900 -5.016 -6.712 129 HA3 GLY 16 1HA GLY 16 3.084 -5.648 -8.134 130 H PHE 17 H PHE 17 0.605 -5.054 -6.137 131 HA PHE 17 HA PHE 17 0.424 -2.226 -6.865 132 HB2 PHE 17 2HB PHE 17 -1.012 -3.496 -8.415 133 HB3 PHE 17 1HB PHE 17 -1.772 -4.297 -7.043 134 HD1 PHE 17 1HD PHE 17 -1.263 -0.941 -8.551 135 HD2 PHE 17 2HD PHE 17 -3.698 -3.408 -6.084 136 HE1 PHE 17 1HE PHE 17 -2.946 0.843 -8.432 137 HE2 PHE 17 2HE PHE 17 -5.388 -1.626 -5.964 138 HZ PHE 17 HZ PHE 17 -5.011 0.506 -7.136 139 H VAL 18 H VAL 18 -0.247 -0.930 -5.262 140 HA VAL 18 HA VAL 18 -1.182 -2.243 -2.838 141 HB VAL 18 HB VAL 18 -0.007 -0.523 -1.514 142 HG11 VAL 18 1HG1 VAL 18 2.245 -1.420 -1.797 143 HG12 VAL 18 2HG1 VAL 18 1.812 -2.021 -3.395 144 HG13 VAL 18 3HG1 VAL 18 1.040 -2.697 -1.965 145 HG21 VAL 18 3HG2 VAL 18 0.076 1.263 -3.191 146 HG22 VAL 18 1HG2 VAL 18 1.177 0.303 -4.172 147 HG23 VAL 18 2HG2 VAL 18 1.703 0.916 -2.608 148 H TYR 19 H TYR 19 -2.692 -1.121 -1.650 149 HA TYR 19 HA TYR 19 -4.034 0.902 -3.256 150 HB2 TYR 19 2HB TYR 19 -5.286 -1.224 -2.671 151 HB3 TYR 19 1HB TYR 19 -5.275 -0.669 -1.001 152 HD1 TYR 19 1HD TYR 19 -6.346 0.292 -4.423 153 HD2 TYR 19 2HD TYR 19 -6.966 0.826 -0.243 154 HE1 TYR 19 1HE TYR 19 -8.371 1.570 -4.896 155 HE2 TYR 19 2HE TYR 19 -8.997 2.119 -0.711 156 HH TYR 19 HH TYR 19 -10.093 3.387 -2.534 157 H CYS 20 H CYS 20 -3.392 2.704 -2.705 158 HA CYS 20 HA CYS 20 -3.889 3.821 -0.102 159 HB2 CYS 20 2HB CYS 20 -1.182 3.994 -1.538 160 HB3 CYS 20 1HB CYS 20 -1.674 5.072 -0.246 161 H CYS 21 H CYS 21 -3.468 6.290 -0.580 162 HA CYS 21 HA CYS 21 -5.029 6.966 -2.797 163 HB2 CYS 21 2HB CYS 21 -3.185 8.629 -1.097 164 HB3 CYS 21 1HB CYS 21 -4.270 9.313 -2.323 165 HA PRO 22 HA PRO 22 -2.400 6.831 -6.242 166 HB2 PRO 22 2HB PRO 22 -3.188 9.080 -7.622 167 HB3 PRO 22 1HB PRO 22 -4.091 7.561 -7.596 168 HG2 PRO 22 2HG PRO 22 -4.528 10.056 -6.022 169 HG3 PRO 22 1HG PRO 22 -5.720 8.975 -6.766 170 HD2 PRO 22 2HD PRO 22 -5.150 8.935 -4.123 171 HD3 PRO 22 1HD PRO 22 -5.614 7.471 -5.007 172 H GLY 23 H GLY 23 -0.443 7.522 -6.901 173 HA2 GLY 23 2HA GLY 23 1.297 9.067 -7.228 174 HA3 GLY 23 1HA GLY 23 0.488 10.170 -6.118 175 H LEU 24 H LEU 24 0.517 7.092 -4.852 176 HA LEU 24 HA LEU 24 2.932 7.721 -3.294 177 HB2 LEU 24 2HB LEU 24 0.661 6.023 -2.239 178 HB3 LEU 24 1HB LEU 24 1.992 6.733 -1.419 179 HG LEU 24 HG LEU 24 -0.132 8.454 -2.643 180 HD11 LEU 24 1HD1 LEU 24 -1.170 7.117 -0.974 181 HD12 LEU 24 2HD1 LEU 24 -0.939 8.747 -0.335 182 HD13 LEU 24 3HD1 LEU 24 0.145 7.432 0.155 183 HD21 LEU 24 3HD2 LEU 24 1.945 9.601 -2.353 184 HD22 LEU 24 1HD2 LEU 24 2.118 8.989 -0.706 185 HD23 LEU 24 2HD2 LEU 24 0.829 10.126 -1.094 186 H ILE 25 H ILE 25 4.085 5.903 -2.549 187 HA ILE 25 HA ILE 25 3.595 3.413 -4.008 188 HB ILE 25 HB ILE 25 6.073 3.104 -4.230 189 HG12 ILE 25 2HG1 ILE 25 6.214 6.058 -3.546 190 HG13 ILE 25 1HG1 ILE 25 6.777 4.748 -2.519 191 HG21 ILE 25 1HG2 ILE 25 6.355 4.543 -6.207 192 HG22 ILE 25 2HG2 ILE 25 4.920 5.451 -5.727 193 HG23 ILE 25 3HG2 ILE 25 4.779 3.749 -6.165 194 HD11 ILE 25 3HD1 ILE 25 8.623 5.840 -3.660 195 HD12 ILE 25 1HD1 ILE 25 7.888 5.480 -5.221 196 HD13 ILE 25 2HD1 ILE 25 8.462 4.167 -4.193 197 H CYS 26 H CYS 26 4.060 1.563 -2.817 198 HA CYS 26 HA CYS 26 4.522 2.062 0.029 199 HB2 CYS 26 2HB CYS 26 2.642 0.563 -0.942 200 HB3 CYS 26 1HB CYS 26 3.946 -0.614 -1.187 201 H GLY 27 H GLY 27 6.497 2.442 0.330 202 HA2 GLY 27 2HA GLY 27 8.586 1.138 -1.131 203 HA3 GLY 27 1HA GLY 27 8.801 2.300 0.164 204 HA PRO 28 HA PRO 28 10.021 -1.060 2.660 205 HB2 PRO 28 2HB PRO 28 9.011 0.082 5.112 206 HB3 PRO 28 1HB PRO 28 10.674 0.033 4.535 207 HG2 PRO 28 2HG PRO 28 9.191 2.338 4.741 208 HG3 PRO 28 1HG PRO 28 10.557 2.128 3.635 209 HD2 PRO 28 2HD PRO 28 7.625 2.005 3.079 210 HD3 PRO 28 1HD PRO 28 8.936 2.663 2.087 211 H PHE 29 H PHE 29 7.240 -0.089 4.623 212 HA PHE 29 HA PHE 29 5.865 -2.550 3.801 213 HB2 PHE 29 2HB PHE 29 7.093 -2.745 6.019 214 HB3 PHE 29 1HB PHE 29 6.024 -1.499 6.637 215 HD1 PHE 29 2HD PHE 29 6.134 -4.894 5.256 216 HD2 PHE 29 1HD PHE 29 3.893 -2.056 7.458 217 HE1 PHE 29 2HE PHE 29 4.539 -6.663 5.887 218 HE2 PHE 29 1HE PHE 29 2.288 -3.818 8.100 219 HZ PHE 29 HZ PHE 29 2.615 -6.123 7.311 220 H VAL 30 H VAL 30 5.870 0.752 4.021 221 HA VAL 30 HA VAL 30 2.976 0.928 4.019 222 HB VAL 30 HB VAL 30 3.092 3.076 5.260 223 HG11 VAL 30 1HG1 VAL 30 3.545 2.157 7.503 224 HG12 VAL 30 2HG1 VAL 30 4.240 0.718 6.745 225 HG13 VAL 30 3HG1 VAL 30 2.535 1.108 6.514 226 HG21 VAL 30 3HG2 VAL 30 5.365 3.753 4.781 227 HG22 VAL 30 1HG2 VAL 30 5.996 2.357 5.660 228 HG23 VAL 30 2HG2 VAL 30 5.148 3.630 6.530 229 H CYS 31 H CYS 31 2.308 3.080 3.071 230 HA CYS 31 HA CYS 31 3.779 3.559 0.637 231 HB2 CYS 31 2HB CYS 31 1.134 4.585 1.692 232 HB3 CYS 31 1HB CYS 31 1.833 5.075 0.138 233 H VAL 32 H VAL 32 3.969 5.848 -0.056 234 HA VAL 32 HA VAL 32 4.755 7.872 1.637 235 HB VAL 32 HB VAL 32 6.513 6.355 2.446 236 HG11 VAL 32 1HG1 VAL 32 6.659 4.831 0.541 237 HG12 VAL 32 2HG1 VAL 32 8.252 5.460 0.953 238 HG13 VAL 32 3HG1 VAL 32 7.383 6.106 -0.441 239 HG21 VAL 32 3HG2 VAL 32 7.098 8.701 2.251 240 HG22 VAL 32 1HG2 VAL 32 7.632 8.450 0.591 241 HG23 VAL 32 2HG2 VAL 32 8.507 7.693 1.919 Start of MODEL 4 1 H1 ARG 1 H ARG 1 -9.438 10.448 -2.537 2 HA ARG 1 HA ARG 1 -11.833 9.844 -3.617 3 HB2 ARG 1 2HB ARG 1 -11.399 7.619 -4.561 4 HB3 ARG 1 1HB ARG 1 -10.685 8.895 -5.549 5 HG2 ARG 1 2HG ARG 1 -8.500 8.351 -4.728 6 HG3 ARG 1 1HG ARG 1 -9.177 7.237 -3.542 7 HD2 ARG 1 2HD ARG 1 -9.368 6.931 -6.535 8 HD3 ARG 1 1HD ARG 1 -8.232 6.072 -5.493 9 HE ARG 1 HE ARG 1 -10.902 5.688 -4.626 10 HH11 ARG 1 1HH1 ARG 1 -8.663 4.624 -7.176 11 HH12 ARG 1 2HH1 ARG 1 -9.439 3.134 -7.399 12 HH21 ARG 1 1HH2 ARG 1 -11.933 3.658 -4.935 13 HH22 ARG 1 2HH2 ARG 1 -11.356 2.568 -6.116 14 H ASP 2 H ASP 2 -12.297 7.367 -2.772 15 HA ASP 2 HA ASP 2 -11.517 7.505 -0.018 16 HB2 ASP 2 2HB ASP 2 -13.826 6.825 -0.594 17 HB3 ASP 2 1HB ASP 2 -13.189 5.384 -1.386 18 H CYS 3 H CYS 3 -9.424 7.252 -0.119 19 HA CYS 3 HA CYS 3 -8.440 4.512 -0.253 20 HB2 CYS 3 2HB CYS 3 -6.377 5.427 -1.398 21 HB3 CYS 3 1HB CYS 3 -7.819 5.367 -2.408 22 H GLN 4 H GLN 4 -5.935 4.809 0.549 23 HA GLN 4 HA GLN 4 -6.303 6.272 3.065 24 HB2 GLN 4 2HB GLN 4 -5.168 4.514 4.218 25 HB3 GLN 4 1HB GLN 4 -6.293 3.774 3.097 26 HG2 GLN 4 2HG GLN 4 -4.643 3.264 1.555 27 HG3 GLN 4 1HG GLN 4 -3.394 4.082 2.494 28 HE21 GLN 4 1HE2 GLN 4 -3.553 1.331 1.609 29 HE22 GLN 4 2HE2 GLN 4 -3.486 0.361 3.019 30 H GLU 5 H GLU 5 -4.408 7.097 3.997 31 HA GLU 5 HA GLU 5 -2.864 8.487 2.096 32 HB2 GLU 5 2HB GLU 5 -2.875 8.392 5.069 33 HB3 GLU 5 1HB GLU 5 -1.819 9.465 4.143 34 HG2 GLU 5 2HG GLU 5 -4.687 9.263 3.754 35 HG3 GLU 5 1HG GLU 5 -4.061 10.426 4.939 36 H LYS 6 H LYS 6 -0.580 8.832 2.990 37 HA LYS 6 HA LYS 6 0.756 6.549 1.971 38 HB2 LYS 6 2HB LYS 6 2.855 7.879 2.169 39 HB3 LYS 6 1HB LYS 6 1.561 8.680 1.287 40 HG2 LYS 6 2HG LYS 6 0.977 9.766 3.417 41 HG3 LYS 6 1HG LYS 6 2.532 9.261 4.062 42 HD2 LYS 6 2HD LYS 6 2.124 10.974 1.599 43 HD3 LYS 6 1HD LYS 6 2.503 11.623 3.185 44 HE2 LYS 6 2HE LYS 6 4.636 10.254 3.088 45 HE3 LYS 6 1HE LYS 6 4.213 9.895 1.412 46 HZ1 LYS 6 3HZ LYS 6 4.242 12.274 0.930 47 HZ2 LYS 6 1HZ LYS 6 5.732 11.765 1.533 48 HZ3 LYS 6 2HZ LYS 6 4.675 12.603 2.528 49 H TRP 7 H TRP 7 0.910 8.088 5.161 50 HA TRP 7 HA TRP 7 2.694 6.005 6.058 51 HB2 TRP 7 2HB TRP 7 1.546 8.374 7.494 52 HB3 TRP 7 1HB TRP 7 2.722 7.263 8.211 53 HD1 TRP 7 HD TRP 7 2.578 10.454 6.445 54 HE1 TRP 7 1HE TRP 7 4.849 11.093 5.431 55 HE3 TRP 7 3HE TRP 7 4.943 5.943 6.834 56 HZ2 TRP 7 2HZ TRP 7 7.312 9.857 4.874 57 HZ3 TRP 7 3HZ TRP 7 7.270 5.772 6.009 58 HH2 TRP 7 HH TRP 7 8.408 7.685 5.063 59 H GLU 8 H GLU 8 -0.008 5.301 5.339 60 HA GLU 8 HA GLU 8 -1.211 4.378 7.812 61 HB2 GLU 8 2HB GLU 8 -1.964 4.036 4.917 62 HB3 GLU 8 1HB GLU 8 -2.850 3.307 6.249 63 HG2 GLU 8 2HG GLU 8 -2.445 6.245 5.788 64 HG3 GLU 8 1HG GLU 8 -3.910 5.306 5.473 65 H TYR 9 H TYR 9 -1.990 1.878 7.331 66 HA TYR 9 HA TYR 9 0.330 0.348 7.662 67 HB2 TYR 9 2HB TYR 9 -2.486 -0.479 6.992 68 HB3 TYR 9 1HB TYR 9 -1.195 -1.631 7.297 69 HD1 TYR 9 1HD TYR 9 -0.158 -1.731 9.527 70 HD2 TYR 9 2HD TYR 9 -3.606 0.636 8.788 71 HE1 TYR 9 1HE TYR 9 -0.597 -1.648 11.928 72 HE2 TYR 9 2HE TYR 9 -4.064 0.733 11.185 73 HH TYR 9 HH TYR 9 -3.545 -0.551 13.217 74 H CYS 10 H CYS 10 -1.672 0.920 4.862 75 HA CYS 10 HA CYS 10 -1.552 0.433 2.688 76 HB2 CYS 10 2HB CYS 10 0.720 1.451 2.679 77 HB3 CYS 10 1HB CYS 10 1.408 -0.099 3.155 78 H ILE 11 H ILE 11 0.871 -1.916 3.734 79 HA ILE 11 HA ILE 11 -0.882 -3.999 2.684 80 HB ILE 11 HB ILE 11 2.078 -4.102 3.394 81 HG12 ILE 11 2HG1 ILE 11 0.789 -3.951 0.661 82 HG13 ILE 11 1HG1 ILE 11 1.585 -2.609 1.471 83 HG21 ILE 11 1HG2 ILE 11 0.343 -6.089 1.910 84 HG22 ILE 11 2HG2 ILE 11 0.990 -6.293 3.538 85 HG23 ILE 11 3HG2 ILE 11 2.084 -6.229 2.154 86 HD11 ILE 11 3HD1 ILE 11 3.693 -3.832 1.419 87 HD12 ILE 11 1HD1 ILE 11 3.025 -3.619 -0.199 88 HD13 ILE 11 2HD1 ILE 11 2.890 -5.180 0.614 89 H VAL 12 H VAL 12 -1.473 -5.655 4.058 90 HA VAL 12 HA VAL 12 -0.395 -5.557 6.744 91 HB VAL 12 HB VAL 12 -2.593 -6.337 7.673 92 HG11 VAL 12 1HG1 VAL 12 -3.762 -4.190 7.580 93 HG12 VAL 12 2HG1 VAL 12 -2.701 -3.682 6.264 94 HG13 VAL 12 3HG1 VAL 12 -2.032 -4.003 7.864 95 HG21 VAL 12 3HG2 VAL 12 -3.731 -5.582 4.992 96 HG22 VAL 12 1HG2 VAL 12 -4.643 -6.122 6.392 97 HG23 VAL 12 2HG2 VAL 12 -3.549 -7.242 5.569 98 HA PRO 13 HA PRO 13 0.602 -9.744 6.003 99 HB2 PRO 13 2HB PRO 13 -0.190 -10.621 8.674 100 HB3 PRO 13 1HB PRO 13 1.431 -10.457 7.993 101 HG2 PRO 13 2HG PRO 13 0.515 -8.809 9.922 102 HG3 PRO 13 1HG PRO 13 1.630 -8.258 8.660 103 HD2 PRO 13 2HD PRO 13 -1.336 -7.909 8.850 104 HD3 PRO 13 1HD PRO 13 -0.091 -6.729 8.386 105 H ILE 14 H ILE 14 -2.537 -8.973 6.667 106 HA ILE 14 HA ILE 14 -3.529 -11.704 6.232 107 HB ILE 14 HB ILE 14 -4.943 -9.266 7.380 108 HG12 ILE 14 2HG1 ILE 14 -3.366 -10.190 8.968 109 HG13 ILE 14 1HG1 ILE 14 -5.008 -10.555 9.485 110 HG21 ILE 14 1HG2 ILE 14 -6.516 -10.670 6.134 111 HG22 ILE 14 2HG2 ILE 14 -6.837 -10.708 7.868 112 HG23 ILE 14 3HG2 ILE 14 -6.019 -12.065 7.097 113 HD11 ILE 14 3HD1 ILE 14 -4.741 -12.843 8.586 114 HD12 ILE 14 1HD1 ILE 14 -3.573 -12.459 9.852 115 HD13 ILE 14 2HD1 ILE 14 -3.074 -12.451 8.166 116 H LEU 15 H LEU 15 -4.935 -12.027 4.468 117 HA LEU 15 HA LEU 15 -4.595 -10.308 2.259 118 HB2 LEU 15 2HB LEU 15 -6.596 -12.522 2.688 119 HB3 LEU 15 1HB LEU 15 -6.321 -11.718 1.158 120 HG LEU 15 HG LEU 15 -4.315 -13.410 2.651 121 HD11 LEU 15 1HD1 LEU 15 -5.839 -13.926 0.106 122 HD12 LEU 15 2HD1 LEU 15 -6.104 -14.719 1.659 123 HD13 LEU 15 3HD1 LEU 15 -4.588 -14.964 0.792 124 HD21 LEU 15 3HD2 LEU 15 -2.944 -13.170 0.619 125 HD22 LEU 15 1HD2 LEU 15 -3.194 -11.626 1.431 126 HD23 LEU 15 2HD2 LEU 15 -4.113 -12.017 -0.020 127 H GLY 16 H GLY 16 -5.939 -8.897 1.268 128 HA2 GLY 16 2HA GLY 16 -8.027 -7.793 1.018 129 HA3 GLY 16 1HA GLY 16 -8.381 -8.144 2.707 130 H PHE 17 H PHE 17 -5.334 -6.845 1.449 131 HA PHE 17 HA PHE 17 -5.661 -4.675 3.312 132 HB2 PHE 17 2HB PHE 17 -3.359 -4.048 2.926 133 HB3 PHE 17 1HB PHE 17 -3.429 -5.790 3.069 134 HD1 PHE 17 2HD PHE 17 -2.840 -2.980 0.802 135 HD2 PHE 17 1HD PHE 17 -2.806 -7.205 1.229 136 HE1 PHE 17 2HE PHE 17 -1.527 -3.170 -1.248 137 HE2 PHE 17 1HE PHE 17 -1.473 -7.404 -0.814 138 HZ PHE 17 HZ PHE 17 -0.830 -5.385 -2.061 139 H VAL 18 H VAL 18 -5.011 -2.433 2.585 140 HA VAL 18 HA VAL 18 -6.778 -1.810 0.326 141 HB VAL 18 HB VAL 18 -5.883 -0.021 2.613 142 HG11 VAL 18 1HG1 VAL 18 -7.740 1.432 1.957 143 HG12 VAL 18 2HG1 VAL 18 -8.095 0.351 0.609 144 HG13 VAL 18 3HG1 VAL 18 -6.568 1.231 0.650 145 HG21 VAL 18 3HG2 VAL 18 -8.128 -0.341 3.575 146 HG22 VAL 18 1HG2 VAL 18 -7.203 -1.843 3.516 147 HG23 VAL 18 2HG2 VAL 18 -8.468 -1.543 2.328 148 H TYR 19 H TYR 19 -5.995 -0.347 -1.265 149 HA TYR 19 HA TYR 19 -3.122 -0.020 -1.260 150 HB2 TYR 19 2HB TYR 19 -5.200 0.622 -3.369 151 HB3 TYR 19 1HB TYR 19 -3.471 0.890 -3.560 152 HD1 TYR 19 2HD TYR 19 -1.965 -1.210 -3.191 153 HD2 TYR 19 1HD TYR 19 -6.110 -1.389 -4.092 154 HE1 TYR 19 2HE TYR 19 -1.685 -3.493 -3.984 155 HE2 TYR 19 1HE TYR 19 -5.845 -3.688 -4.891 156 HH TYR 19 HH TYR 19 -3.161 -5.536 -4.237 157 H CYS 20 H CYS 20 -2.132 1.992 -1.272 158 HA CYS 20 HA CYS 20 -3.710 3.993 0.046 159 HB2 CYS 20 2HB CYS 20 -1.590 5.272 0.155 160 HB3 CYS 20 1HB CYS 20 -1.446 3.660 0.836 161 H CYS 21 H CYS 21 -3.652 6.186 -0.686 162 HA CYS 21 HA CYS 21 -4.927 6.556 -3.059 163 HB2 CYS 21 2HB CYS 21 -3.324 8.437 -1.384 164 HB3 CYS 21 1HB CYS 21 -4.373 8.968 -2.720 165 HA PRO 22 HA PRO 22 -2.085 6.498 -6.362 166 HB2 PRO 22 2HB PRO 22 -3.101 8.523 -7.940 167 HB3 PRO 22 1HB PRO 22 -3.774 6.892 -7.858 168 HG2 PRO 22 2HG PRO 22 -4.687 9.388 -6.507 169 HG3 PRO 22 1HG PRO 22 -5.645 8.063 -7.189 170 HD2 PRO 22 2HD PRO 22 -5.151 8.352 -4.505 171 HD3 PRO 22 1HD PRO 22 -5.424 6.774 -5.272 172 H GLY 23 H GLY 23 -0.124 7.289 -6.674 173 HA2 GLY 23 2HA GLY 23 1.409 9.093 -7.059 174 HA3 GLY 23 1HA GLY 23 0.411 10.107 -6.019 175 H LEU 24 H LEU 24 0.579 7.115 -4.650 176 HA LEU 24 HA LEU 24 2.880 7.915 -3.002 177 HB2 LEU 24 2HB LEU 24 0.704 6.082 -2.038 178 HB3 LEU 24 1HB LEU 24 1.924 6.912 -1.170 179 HG LEU 24 HG LEU 24 -0.250 8.428 -2.556 180 HD11 LEU 24 1HD1 LEU 24 -0.020 7.439 0.238 181 HD12 LEU 24 2HD1 LEU 24 -1.286 7.073 -0.967 182 HD13 LEU 24 3HD1 LEU 24 -1.163 8.690 -0.274 183 HD21 LEU 24 3HD2 LEU 24 1.691 9.757 -2.180 184 HD22 LEU 24 1HD2 LEU 24 1.856 9.163 -0.530 185 HD23 LEU 24 2HD2 LEU 24 0.495 10.196 -0.960 186 H ILE 25 H ILE 25 4.214 6.355 -2.397 187 HA ILE 25 HA ILE 25 4.039 3.907 -4.002 188 HB ILE 25 HB ILE 25 6.539 3.772 -3.876 189 HG12 ILE 25 2HG1 ILE 25 6.328 6.608 -2.807 190 HG13 ILE 25 1HG1 ILE 25 6.879 5.210 -1.897 191 HG21 ILE 25 1HG2 ILE 25 5.464 4.598 -5.869 192 HG22 ILE 25 2HG2 ILE 25 6.957 5.493 -5.587 193 HG23 ILE 25 3HG2 ILE 25 5.402 6.226 -5.199 194 HD11 ILE 25 3HD1 ILE 25 8.240 6.396 -4.309 195 HD12 ILE 25 1HD1 ILE 25 8.804 5.001 -3.389 196 HD13 ILE 25 2HD1 ILE 25 8.742 6.592 -2.628 197 H CYS 26 H CYS 26 4.047 2.029 -2.988 198 HA CYS 26 HA CYS 26 4.246 2.126 -0.082 199 HB2 CYS 26 2HB CYS 26 2.272 1.080 -1.277 200 HB3 CYS 26 1HB CYS 26 3.353 -0.217 -1.792 201 H GLY 27 H GLY 27 6.316 2.284 0.248 202 HA2 GLY 27 2HA GLY 27 8.249 0.758 -1.267 203 HA3 GLY 27 1HA GLY 27 8.578 1.957 -0.031 204 HA PRO 28 HA PRO 28 9.886 -1.138 2.691 205 HB2 PRO 28 2HB PRO 28 8.921 -0.185 5.103 206 HB3 PRO 28 1HB PRO 28 10.391 0.395 4.316 207 HG2 PRO 28 2HG PRO 28 7.652 1.579 4.324 208 HG3 PRO 28 1HG PRO 28 9.225 2.392 4.413 209 HD2 PRO 28 2HD PRO 28 7.782 2.313 2.145 210 HD3 PRO 28 1HD PRO 28 9.555 2.259 2.128 211 H PHE 29 H PHE 29 6.588 -0.102 3.381 212 HA PHE 29 HA PHE 29 5.406 -2.639 3.312 213 HB2 PHE 29 2HB PHE 29 6.755 -2.825 5.431 214 HB3 PHE 29 1HB PHE 29 5.896 -1.421 6.042 215 HD1 PHE 29 2HD PHE 29 5.583 -4.916 5.052 216 HD2 PHE 29 1HD PHE 29 3.780 -1.623 6.966 217 HE1 PHE 29 2HE PHE 29 3.878 -6.440 5.995 218 HE2 PHE 29 1HE PHE 29 2.051 -3.118 7.947 219 HZ PHE 29 HZ PHE 29 2.106 -5.527 7.454 220 H VAL 30 H VAL 30 5.651 0.648 4.459 221 HA VAL 30 HA VAL 30 2.792 1.059 4.133 222 HB VAL 30 HB VAL 30 3.123 3.143 5.371 223 HG11 VAL 30 1HG1 VAL 30 3.712 2.250 7.551 224 HG12 VAL 30 2HG1 VAL 30 4.372 0.796 6.785 225 HG13 VAL 30 3HG1 VAL 30 2.647 1.173 6.655 226 HG21 VAL 30 3HG2 VAL 30 5.388 3.693 4.633 227 HG22 VAL 30 1HG2 VAL 30 6.033 2.350 5.581 228 HG23 VAL 30 2HG2 VAL 30 5.273 3.723 6.391 229 H CYS 31 H CYS 31 2.426 3.402 3.321 230 HA CYS 31 HA CYS 31 3.920 3.722 0.840 231 HB2 CYS 31 2HB CYS 31 1.284 4.749 1.822 232 HB3 CYS 31 1HB CYS 31 2.034 5.325 0.317 233 H VAL 32 H VAL 32 3.938 6.136 0.240 234 HA VAL 32 HA VAL 32 4.752 8.057 1.969 235 HB VAL 32 HB VAL 32 6.532 6.551 2.759 236 HG11 VAL 32 1HG1 VAL 32 7.445 6.405 -0.119 237 HG12 VAL 32 2HG1 VAL 32 6.730 5.086 0.808 238 HG13 VAL 32 3HG1 VAL 32 8.307 5.733 1.266 239 HG21 VAL 32 3HG2 VAL 32 8.495 7.924 2.310 240 HG22 VAL 32 1HG2 VAL 32 7.068 8.902 2.633 241 HG23 VAL 32 2HG2 VAL 32 7.648 8.712 0.972 Start of MODEL 5 1 H1 ARG 1 H ARG 1 -12.677 7.554 -5.617 2 HA ARG 1 HA ARG 1 -13.069 4.874 -5.186 3 HB2 ARG 1 2HB ARG 1 -10.144 5.638 -5.349 4 HB3 ARG 1 1HB ARG 1 -10.777 4.103 -4.798 5 HG2 ARG 1 2HG ARG 1 -11.614 3.643 -7.057 6 HG3 ARG 1 1HG ARG 1 -10.965 5.193 -7.601 7 HD2 ARG 1 2HD ARG 1 -9.395 3.474 -8.198 8 HD3 ARG 1 1HD ARG 1 -8.703 4.429 -6.893 9 HE ARG 1 HE ARG 1 -10.110 2.091 -5.994 10 HH11 ARG 1 1HH1 ARG 1 -6.953 3.319 -7.020 11 HH12 ARG 1 2HH1 ARG 1 -6.077 1.980 -6.437 12 HH21 ARG 1 1HH2 ARG 1 -8.891 0.249 -5.171 13 HH22 ARG 1 2HH2 ARG 1 -7.193 0.201 -5.369 14 H ASP 2 H ASP 2 -12.004 4.326 -3.006 15 HA ASP 2 HA ASP 2 -11.754 6.689 -1.306 16 HB2 ASP 2 2HB ASP 2 -13.640 5.179 -0.641 17 HB3 ASP 2 1HB ASP 2 -12.524 3.820 -0.610 18 H CYS 3 H CYS 3 -9.770 6.846 -0.421 19 HA CYS 3 HA CYS 3 -8.027 4.520 -0.657 20 HB2 CYS 3 2HB CYS 3 -6.182 5.958 -1.488 21 HB3 CYS 3 1HB CYS 3 -7.517 5.803 -2.621 22 H GLN 4 H GLN 4 -5.841 5.057 0.429 23 HA GLN 4 HA GLN 4 -6.455 6.339 3.021 24 HB2 GLN 4 2HB GLN 4 -5.305 4.558 4.145 25 HB3 GLN 4 1HB GLN 4 -6.382 3.836 2.956 26 HG2 GLN 4 2HG GLN 4 -4.617 3.435 1.440 27 HG3 GLN 4 1HG GLN 4 -3.447 4.218 2.508 28 HE21 GLN 4 1HE2 GLN 4 -3.455 1.597 1.416 29 HE22 GLN 4 2HE2 GLN 4 -3.485 0.446 2.685 30 H GLU 5 H GLU 5 -4.613 7.033 4.144 31 HA GLU 5 HA GLU 5 -2.960 8.652 2.558 32 HB2 GLU 5 2HB GLU 5 -3.041 7.968 5.460 33 HB3 GLU 5 1HB GLU 5 -1.835 9.074 4.795 34 HG2 GLU 5 2HG GLU 5 -4.634 9.387 4.167 35 HG3 GLU 5 1HG GLU 5 -4.135 9.983 5.767 36 H LYS 6 H LYS 6 -0.674 8.692 3.015 37 HA LYS 6 HA LYS 6 0.375 6.315 1.907 38 HB2 LYS 6 2HB LYS 6 2.569 7.487 1.784 39 HB3 LYS 6 1HB LYS 6 1.246 8.439 1.131 40 HG2 LYS 6 2HG LYS 6 1.132 9.296 3.523 41 HG3 LYS 6 1HG LYS 6 2.821 8.843 3.595 42 HD2 LYS 6 2HD LYS 6 1.635 10.644 1.488 43 HD3 LYS 6 1HD LYS 6 2.400 11.244 2.949 44 HE2 LYS 6 2HE LYS 6 4.491 10.103 2.234 45 HE3 LYS 6 1HE LYS 6 3.676 9.640 0.739 46 HZ1 LYS 6 3HZ LYS 6 3.349 12.042 0.289 47 HZ2 LYS 6 1HZ LYS 6 4.968 11.590 0.368 48 HZ3 LYS 6 2HZ LYS 6 4.276 12.392 1.662 49 H TRP 7 H TRP 7 0.889 7.874 5.020 50 HA TRP 7 HA TRP 7 2.702 5.796 5.893 51 HB2 TRP 7 2HB TRP 7 1.573 8.139 7.436 52 HB3 TRP 7 1HB TRP 7 2.883 7.094 7.975 53 HD1 TRP 7 HD TRP 7 2.282 10.264 6.174 54 HE1 TRP 7 1HE TRP 7 4.436 11.120 5.062 55 HE3 TRP 7 3HE TRP 7 5.134 6.068 6.589 56 HZ2 TRP 7 2HZ TRP 7 6.985 10.155 4.439 57 HZ3 TRP 7 3HZ TRP 7 7.440 6.119 5.684 58 HH2 TRP 7 HH TRP 7 8.324 8.128 4.637 59 H GLU 8 H GLU 8 -0.024 5.055 5.300 60 HA GLU 8 HA GLU 8 -1.248 4.285 7.816 61 HB2 GLU 8 2HB GLU 8 -1.949 3.861 4.929 62 HB3 GLU 8 1HB GLU 8 -2.861 3.133 6.245 63 HG2 GLU 8 2HG GLU 8 -2.366 6.068 6.031 64 HG3 GLU 8 1HG GLU 8 -3.768 5.275 5.313 65 H TYR 9 H TYR 9 -2.153 1.747 7.260 66 HA TYR 9 HA TYR 9 0.182 0.201 7.774 67 HB2 TYR 9 2HB TYR 9 -2.688 -0.625 7.329 68 HB3 TYR 9 1HB TYR 9 -1.401 -1.741 7.773 69 HD1 TYR 9 1HD TYR 9 -0.275 -1.501 9.966 70 HD2 TYR 9 2HD TYR 9 -3.733 0.772 8.969 71 HE1 TYR 9 1HE TYR 9 -0.619 -1.008 12.324 72 HE2 TYR 9 2HE TYR 9 -4.086 1.280 11.334 73 HH TYR 9 HH TYR 9 -3.499 0.302 13.500 74 H CYS 10 H CYS 10 -1.478 1.096 4.976 75 HA CYS 10 HA CYS 10 -1.240 0.729 2.810 76 HB2 CYS 10 2HB CYS 10 1.144 1.016 3.089 77 HB3 CYS 10 1HB CYS 10 1.349 -0.659 3.601 78 H ILE 11 H ILE 11 -0.008 -2.393 4.027 79 HA ILE 11 HA ILE 11 -2.347 -3.570 2.770 80 HB ILE 11 HB ILE 11 -1.078 -5.635 2.255 81 HG12 ILE 11 2HG1 ILE 11 0.895 -5.250 3.806 82 HG13 ILE 11 1HG1 ILE 11 1.332 -5.778 2.194 83 HG21 ILE 11 1HG2 ILE 11 0.022 -4.835 0.222 84 HG22 ILE 11 2HG2 ILE 11 -0.157 -3.183 0.819 85 HG23 ILE 11 3HG2 ILE 11 -1.587 -4.161 0.487 86 HD11 ILE 11 3HD1 ILE 11 1.962 -3.466 1.639 87 HD12 ILE 11 1HD1 ILE 11 2.864 -4.092 3.018 88 HD13 ILE 11 2HD1 ILE 11 1.533 -2.967 3.274 89 H VAL 12 H VAL 12 -3.451 -4.992 3.872 90 HA VAL 12 HA VAL 12 -2.701 -5.311 6.673 91 HB VAL 12 HB VAL 12 -5.145 -5.854 7.019 92 HG11 VAL 12 1HG1 VAL 12 -5.940 -3.553 6.751 93 HG12 VAL 12 2HG1 VAL 12 -4.556 -3.199 5.715 94 HG13 VAL 12 3HG1 VAL 12 -4.307 -3.602 7.414 95 HG21 VAL 12 3HG2 VAL 12 -5.653 -6.625 4.741 96 HG22 VAL 12 1HG2 VAL 12 -5.396 -4.990 4.130 97 HG23 VAL 12 2HG2 VAL 12 -6.734 -5.323 5.232 98 HA PRO 13 HA PRO 13 -2.133 -9.673 6.142 99 HB2 PRO 13 2HB PRO 13 -2.713 -10.662 8.557 100 HB3 PRO 13 1HB PRO 13 -1.340 -9.572 8.321 101 HG2 PRO 13 2HG PRO 13 -4.089 -8.940 9.343 102 HG3 PRO 13 1HG PRO 13 -2.522 -8.448 10.007 103 HD2 PRO 13 2HD PRO 13 -4.028 -6.829 8.448 104 HD3 PRO 13 1HD PRO 13 -2.256 -6.764 8.461 105 H ILE 14 H ILE 14 -5.092 -8.424 6.262 106 HA ILE 14 HA ILE 14 -6.484 -10.995 6.026 107 HB ILE 14 HB ILE 14 -8.535 -9.799 6.844 108 HG12 ILE 14 2HG1 ILE 14 -6.546 -7.626 7.546 109 HG13 ILE 14 1HG1 ILE 14 -7.831 -7.507 6.354 110 HG21 ILE 14 1HG2 ILE 14 -7.929 -9.836 9.229 111 HG22 ILE 14 2HG2 ILE 14 -6.224 -9.913 8.783 112 HG23 ILE 14 3HG2 ILE 14 -7.308 -11.239 8.363 113 HD11 ILE 14 3HD1 ILE 14 -8.425 -6.348 8.378 114 HD12 ILE 14 1HD1 ILE 14 -8.165 -7.817 9.322 115 HD13 ILE 14 2HD1 ILE 14 -9.478 -7.750 8.151 116 H LEU 15 H LEU 15 -8.737 -10.397 4.829 117 HA LEU 15 HA LEU 15 -7.829 -9.153 2.376 118 HB2 LEU 15 2HB LEU 15 -10.284 -10.796 2.970 119 HB3 LEU 15 1HB LEU 15 -10.023 -10.011 1.434 120 HG LEU 15 HG LEU 15 -7.932 -11.419 1.181 121 HD11 LEU 15 1HD1 LEU 15 -9.083 -12.940 3.508 122 HD12 LEU 15 2HD1 LEU 15 -7.577 -12.024 3.501 123 HD13 LEU 15 3HD1 LEU 15 -7.740 -13.460 2.487 124 HD21 LEU 15 3HD2 LEU 15 -10.571 -12.852 1.392 125 HD22 LEU 15 1HD2 LEU 15 -9.159 -13.420 0.504 126 HD23 LEU 15 2HD2 LEU 15 -9.980 -11.944 0.001 127 H GLY 16 H GLY 16 -9.737 -8.004 1.165 128 HA2 GLY 16 2HA GLY 16 -11.253 -6.239 1.177 129 HA3 GLY 16 1HA GLY 16 -11.184 -6.216 2.939 130 H PHE 17 H PHE 17 -8.505 -6.205 0.716 131 HA PHE 17 HA PHE 17 -6.964 -4.396 2.118 132 HB2 PHE 17 2HB PHE 17 -6.827 -5.056 -0.823 133 HB3 PHE 17 1HB PHE 17 -5.605 -4.180 0.075 134 HD1 PHE 17 1HD PHE 17 -7.267 -7.433 -0.312 135 HD2 PHE 17 2HD PHE 17 -4.027 -5.292 1.411 136 HE1 PHE 17 1HE PHE 17 -6.196 -9.547 0.276 137 HE2 PHE 17 2HE PHE 17 -2.942 -7.413 2.002 138 HZ PHE 17 HZ PHE 17 -4.034 -9.546 1.426 139 H VAL 18 H VAL 18 -6.764 -2.331 2.212 140 HA VAL 18 HA VAL 18 -8.319 -0.665 0.419 141 HB VAL 18 HB VAL 18 -7.978 1.138 2.141 142 HG11 VAL 18 1HG1 VAL 18 -10.021 -0.206 2.200 143 HG12 VAL 18 2HG1 VAL 18 -9.522 0.258 3.825 144 HG13 VAL 18 3HG1 VAL 18 -9.224 -1.381 3.245 145 HG21 VAL 18 3HG2 VAL 18 -7.153 0.552 4.377 146 HG22 VAL 18 1HG2 VAL 18 -5.907 0.299 3.154 147 HG23 VAL 18 2HG2 VAL 18 -6.785 -1.080 3.818 148 H TYR 19 H TYR 19 -7.178 1.011 -0.624 149 HA TYR 19 HA TYR 19 -4.319 0.407 -0.761 150 HB2 TYR 19 2HB TYR 19 -6.156 1.283 -2.993 151 HB3 TYR 19 1HB TYR 19 -4.431 0.963 -3.145 152 HD1 TYR 19 2HD TYR 19 -3.586 -1.365 -2.916 153 HD2 TYR 19 1HD TYR 19 -7.752 -0.525 -2.939 154 HE1 TYR 19 2HE TYR 19 -4.050 -3.724 -3.365 155 HE2 TYR 19 1HE TYR 19 -8.233 -2.885 -3.385 156 HH TYR 19 HH TYR 19 -5.874 -5.339 -3.125 157 H CYS 20 H CYS 20 -2.904 2.111 -1.194 158 HA CYS 20 HA CYS 20 -3.607 4.509 0.171 159 HB2 CYS 20 2HB CYS 20 -1.129 3.898 -1.464 160 HB3 CYS 20 1HB CYS 20 -1.324 5.228 -0.333 161 H CYS 21 H CYS 21 -3.724 6.561 -0.628 162 HA CYS 21 HA CYS 21 -5.053 7.022 -3.013 163 HB2 CYS 21 2HB CYS 21 -3.418 8.884 -1.295 164 HB3 CYS 21 1HB CYS 21 -4.467 9.439 -2.607 165 HA PRO 22 HA PRO 22 -2.230 6.885 -6.332 166 HB2 PRO 22 2HB PRO 22 -2.951 9.082 -7.810 167 HB3 PRO 22 1HB PRO 22 -3.857 7.563 -7.781 168 HG2 PRO 22 2HG PRO 22 -4.355 10.094 -6.272 169 HG3 PRO 22 1HG PRO 22 -5.514 9.029 -7.091 170 HD2 PRO 22 2HD PRO 22 -5.147 8.958 -4.416 171 HD3 PRO 22 1HD PRO 22 -5.505 7.482 -5.339 172 H GLY 23 H GLY 23 -0.237 7.602 -6.936 173 HA2 GLY 23 2HA GLY 23 1.428 9.237 -7.221 174 HA3 GLY 23 1HA GLY 23 0.597 10.257 -6.056 175 H LEU 24 H LEU 24 0.643 7.156 -4.919 176 HA LEU 24 HA LEU 24 3.032 7.735 -3.305 177 HB2 LEU 24 2HB LEU 24 0.761 6.025 -2.273 178 HB3 LEU 24 1HB LEU 24 2.051 6.791 -1.451 179 HG LEU 24 HG LEU 24 -0.068 8.463 -2.750 180 HD11 LEU 24 1HD1 LEU 24 -0.964 8.740 -0.452 181 HD12 LEU 24 2HD1 LEU 24 0.027 7.340 0.028 182 HD13 LEU 24 3HD1 LEU 24 -1.227 7.178 -1.203 183 HD21 LEU 24 3HD2 LEU 24 2.012 9.620 -2.318 184 HD22 LEU 24 1HD2 LEU 24 2.023 9.036 -0.652 185 HD23 LEU 24 2HD2 LEU 24 0.776 10.164 -1.183 186 H ILE 25 H ILE 25 4.096 5.878 -2.541 187 HA ILE 25 HA ILE 25 3.667 3.423 -4.082 188 HB ILE 25 HB ILE 25 6.169 3.122 -4.131 189 HG12 ILE 25 2HG1 ILE 25 6.207 6.072 -3.413 190 HG13 ILE 25 1HG1 ILE 25 6.737 4.761 -2.371 191 HG21 ILE 25 1HG2 ILE 25 6.550 4.571 -6.080 192 HG22 ILE 25 2HG2 ILE 25 5.076 5.457 -5.688 193 HG23 ILE 25 3HG2 ILE 25 4.986 3.757 -6.140 194 HD11 ILE 25 3HD1 ILE 25 8.611 5.924 -3.391 195 HD12 ILE 25 1HD1 ILE 25 7.982 5.550 -4.994 196 HD13 ILE 25 2HD1 ILE 25 8.537 4.250 -3.938 197 H CYS 26 H CYS 26 4.012 1.562 -2.907 198 HA CYS 26 HA CYS 26 4.423 1.984 -0.035 199 HB2 CYS 26 2HB CYS 26 2.374 0.722 -0.966 200 HB3 CYS 26 1HB CYS 26 3.504 -0.559 -1.382 201 H GLY 27 H GLY 27 6.536 2.254 -0.029 202 HA2 GLY 27 2HA GLY 27 8.326 0.590 -1.509 203 HA3 GLY 27 1HA GLY 27 8.787 1.850 -0.387 204 HA PRO 28 HA PRO 28 9.845 -1.362 2.355 205 HB2 PRO 28 2HB PRO 28 9.409 0.068 4.794 206 HB3 PRO 28 1HB PRO 28 10.910 -0.085 3.894 207 HG2 PRO 28 2HG PRO 28 9.464 2.283 4.186 208 HG3 PRO 28 1HG PRO 28 10.705 1.979 2.965 209 HD2 PRO 28 2HD PRO 28 7.733 1.884 2.713 210 HD3 PRO 28 1HD PRO 28 8.951 2.408 1.536 211 H PHE 29 H PHE 29 7.627 0.027 4.716 212 HA PHE 29 HA PHE 29 6.017 -2.413 4.462 213 HB2 PHE 29 2HB PHE 29 6.433 -0.674 6.905 214 HB3 PHE 29 1HB PHE 29 5.437 -2.114 6.823 215 HD1 PHE 29 2HD PHE 29 6.663 -4.318 6.178 216 HD2 PHE 29 1HD PHE 29 8.639 -0.823 7.589 217 HE1 PHE 29 2HE PHE 29 8.593 -5.684 6.835 218 HE2 PHE 29 1HE PHE 29 10.576 -2.180 8.250 219 HZ PHE 29 HZ PHE 29 10.559 -4.617 7.879 220 H VAL 30 H VAL 30 6.037 1.000 4.285 221 HA VAL 30 HA VAL 30 3.110 1.030 4.199 222 HB VAL 30 HB VAL 30 3.083 3.211 5.285 223 HG11 VAL 30 1HG1 VAL 30 2.916 1.296 6.747 224 HG12 VAL 30 2HG1 VAL 30 3.799 2.595 7.548 225 HG13 VAL 30 3HG1 VAL 30 4.672 1.212 6.883 226 HG21 VAL 30 3HG2 VAL 30 5.180 4.096 6.347 227 HG22 VAL 30 1HG2 VAL 30 5.168 4.160 4.577 228 HG23 VAL 30 2HG2 VAL 30 6.072 2.904 5.399 229 H CYS 31 H CYS 31 2.458 3.295 3.228 230 HA CYS 31 HA CYS 31 3.862 3.610 0.692 231 HB2 CYS 31 2HB CYS 31 1.266 4.683 1.764 232 HB3 CYS 31 1HB CYS 31 1.910 5.056 0.153 233 H VAL 32 H VAL 32 3.975 5.894 -0.028 234 HA VAL 32 HA VAL 32 4.568 7.976 1.643 235 HB VAL 32 HB VAL 32 6.456 6.662 2.493 236 HG11 VAL 32 1HG1 VAL 32 6.705 5.068 0.642 237 HG12 VAL 32 2HG1 VAL 32 8.249 5.835 1.009 238 HG13 VAL 32 3HG1 VAL 32 7.318 6.355 -0.396 239 HG21 VAL 32 3HG2 VAL 32 7.395 8.736 0.518 240 HG22 VAL 32 1HG2 VAL 32 8.329 8.122 1.884 241 HG23 VAL 32 2HG2 VAL 32 6.847 9.032 2.170 Start of MODEL 6 1 H1 ARG 1 H ARG 1 -12.033 9.564 -4.796 2 HA ARG 1 HA ARG 1 -12.514 6.867 -5.167 3 HB2 ARG 1 2HB ARG 1 -10.566 6.986 -6.706 4 HB3 ARG 1 1HB ARG 1 -9.630 7.654 -5.357 5 HG2 ARG 1 2HG ARG 1 -9.996 5.572 -4.128 6 HG3 ARG 1 1HG ARG 1 -10.800 4.909 -5.551 7 HD2 ARG 1 2HD ARG 1 -8.771 5.229 -6.854 8 HD3 ARG 1 1HD ARG 1 -7.960 5.912 -5.441 9 HE ARG 1 HE ARG 1 -9.116 3.335 -5.064 10 HH11 ARG 1 1HH1 ARG 1 -6.129 5.024 -6.036 11 HH12 ARG 1 2HH1 ARG 1 -5.092 3.749 -5.643 12 HH21 ARG 1 1HH2 ARG 1 -7.697 1.565 -4.549 13 HH22 ARG 1 2HH2 ARG 1 -6.010 1.717 -4.797 14 H ASP 2 H ASP 2 -12.479 5.985 -3.242 15 HA ASP 2 HA ASP 2 -11.601 7.627 -1.015 16 HB2 ASP 2 2HB ASP 2 -13.858 6.560 -0.933 17 HB3 ASP 2 1HB ASP 2 -13.073 4.988 -0.934 18 H CYS 3 H CYS 3 -9.502 7.464 -0.890 19 HA CYS 3 HA CYS 3 -8.323 4.799 -0.739 20 HB2 CYS 3 2HB CYS 3 -6.241 5.966 -1.572 21 HB3 CYS 3 1HB CYS 3 -7.548 5.803 -2.739 22 H GLN 4 H GLN 4 -5.991 5.180 0.349 23 HA GLN 4 HA GLN 4 -6.611 6.537 2.900 24 HB2 GLN 4 2HB GLN 4 -5.656 4.729 4.090 25 HB3 GLN 4 1HB GLN 4 -6.607 4.015 2.791 26 HG2 GLN 4 2HG GLN 4 -4.692 3.585 1.485 27 HG3 GLN 4 1HG GLN 4 -3.626 4.338 2.672 28 HE21 GLN 4 1HE2 GLN 4 -3.486 1.732 1.655 29 HE22 GLN 4 2HE2 GLN 4 -3.741 0.602 2.926 30 H GLU 5 H GLU 5 -4.751 7.013 4.138 31 HA GLU 5 HA GLU 5 -2.999 8.689 2.779 32 HB2 GLU 5 2HB GLU 5 -3.237 7.705 5.569 33 HB3 GLU 5 1HB GLU 5 -1.940 8.792 5.087 34 HG2 GLU 5 2HG GLU 5 -4.701 9.236 4.396 35 HG3 GLU 5 1HG GLU 5 -4.155 9.830 5.984 36 H LYS 6 H LYS 6 -0.735 8.648 3.238 37 HA LYS 6 HA LYS 6 0.174 6.246 1.989 38 HB2 LYS 6 2HB LYS 6 2.101 7.353 1.284 39 HB3 LYS 6 1HB LYS 6 0.882 8.601 1.320 40 HG2 LYS 6 2HG LYS 6 1.885 9.108 3.641 41 HG3 LYS 6 1HG LYS 6 3.270 8.238 3.052 42 HD2 LYS 6 2HD LYS 6 3.005 9.799 0.903 43 HD3 LYS 6 1HD LYS 6 2.062 10.757 2.074 44 HE2 LYS 6 2HE LYS 6 3.868 10.895 3.510 45 HE3 LYS 6 1HE LYS 6 4.896 9.934 2.445 46 HZ1 LYS 6 3HZ LYS 6 3.732 12.603 1.881 47 HZ2 LYS 6 1HZ LYS 6 4.640 11.717 0.766 48 HZ3 LYS 6 2HZ LYS 6 5.349 12.266 2.201 49 H TRP 7 H TRP 7 0.803 7.851 5.011 50 HA TRP 7 HA TRP 7 2.700 5.860 5.820 51 HB2 TRP 7 2HB TRP 7 1.420 8.090 7.388 52 HB3 TRP 7 1HB TRP 7 2.726 7.066 7.978 53 HD1 TRP 7 HD TRP 7 2.113 10.190 6.049 54 HE1 TRP 7 1HE TRP 7 4.313 11.102 5.118 55 HE3 TRP 7 3HE TRP 7 5.076 6.125 6.826 56 HZ2 TRP 7 2HZ TRP 7 6.939 10.237 4.735 57 HZ3 TRP 7 3HZ TRP 7 7.426 6.245 6.093 58 HH2 TRP 7 HH TRP 7 8.330 8.259 5.088 59 H GLU 8 H GLU 8 -0.075 4.948 5.262 60 HA GLU 8 HA GLU 8 -1.020 4.029 7.843 61 HB2 GLU 8 2HB GLU 8 -2.016 3.608 5.026 62 HB3 GLU 8 1HB GLU 8 -2.736 2.826 6.424 63 HG2 GLU 8 2HG GLU 8 -2.520 5.802 6.046 64 HG3 GLU 8 1HG GLU 8 -3.943 4.815 5.684 65 H TYR 9 H TYR 9 -1.747 1.481 7.470 66 HA TYR 9 HA TYR 9 0.819 0.248 7.605 67 HB2 TYR 9 2HB TYR 9 -1.953 -0.864 7.982 68 HB3 TYR 9 1HB TYR 9 -0.524 -1.892 8.011 69 HD1 TYR 9 1HD TYR 9 -2.286 0.851 9.757 70 HD2 TYR 9 2HD TYR 9 0.969 -1.888 9.883 71 HE1 TYR 9 1HE TYR 9 -1.922 1.398 12.101 72 HE2 TYR 9 2HE TYR 9 1.340 -1.348 12.233 73 HH TYR 9 HH TYR 9 -0.881 0.349 14.124 74 H CYS 10 H CYS 10 -1.408 0.685 5.108 75 HA CYS 10 HA CYS 10 -1.399 0.136 2.898 76 HB2 CYS 10 2HB CYS 10 0.958 0.879 3.017 77 HB3 CYS 10 1HB CYS 10 1.471 -0.733 3.491 78 H ILE 11 H ILE 11 -2.382 -1.687 4.831 79 HA ILE 11 HA ILE 11 -1.675 -4.309 3.706 80 HB ILE 11 HB ILE 11 -2.767 -5.279 5.715 81 HG12 ILE 11 2HG1 ILE 11 -2.862 -2.408 6.682 82 HG13 ILE 11 1HG1 ILE 11 -4.260 -3.366 6.213 83 HG21 ILE 11 1HG2 ILE 11 -0.494 -3.372 6.243 84 HG22 ILE 11 2HG2 ILE 11 -0.364 -5.035 5.670 85 HG23 ILE 11 3HG2 ILE 11 -0.963 -4.706 7.296 86 HD11 ILE 11 3HD1 ILE 11 -4.044 -3.253 8.614 87 HD12 ILE 11 1HD1 ILE 11 -2.413 -3.920 8.516 88 HD13 ILE 11 2HD1 ILE 11 -3.797 -4.906 8.048 89 H VAL 12 H VAL 12 -3.456 -5.858 3.532 90 HA VAL 12 HA VAL 12 -6.036 -4.624 3.136 91 HB VAL 12 HB VAL 12 -5.102 -4.738 0.890 92 HG11 VAL 12 1HG1 VAL 12 -4.619 -7.672 1.344 93 HG12 VAL 12 2HG1 VAL 12 -3.395 -6.415 1.158 94 HG13 VAL 12 3HG1 VAL 12 -4.441 -6.836 -0.199 95 HG21 VAL 12 3HG2 VAL 12 -6.771 -6.148 -0.253 96 HG22 VAL 12 1HG2 VAL 12 -7.476 -5.195 1.055 97 HG23 VAL 12 2HG2 VAL 12 -7.153 -6.912 1.291 98 HA PRO 13 HA PRO 13 -6.437 -8.192 5.945 99 HB2 PRO 13 2HB PRO 13 -8.788 -6.674 6.847 100 HB3 PRO 13 1HB PRO 13 -7.408 -7.252 7.784 101 HG2 PRO 13 2HG PRO 13 -7.750 -4.645 7.246 102 HG3 PRO 13 1HG PRO 13 -6.136 -5.376 7.314 103 HD2 PRO 13 2HD PRO 13 -7.802 -4.663 4.932 104 HD3 PRO 13 1HD PRO 13 -6.059 -4.441 5.205 105 H ILE 14 H ILE 14 -9.043 -6.519 4.238 106 HA ILE 14 HA ILE 14 -10.200 -9.095 3.523 107 HB ILE 14 HB ILE 14 -12.482 -8.249 3.913 108 HG12 ILE 14 2HG1 ILE 14 -11.172 -5.912 5.331 109 HG13 ILE 14 1HG1 ILE 14 -11.955 -5.825 3.759 110 HG21 ILE 14 1HG2 ILE 14 -11.470 -9.628 5.629 111 HG22 ILE 14 2HG2 ILE 14 -12.543 -8.422 6.348 112 HG23 ILE 14 3HG2 ILE 14 -10.795 -8.191 6.400 113 HD11 ILE 14 3HD1 ILE 14 -13.402 -4.981 5.507 114 HD12 ILE 14 1HD1 ILE 14 -13.285 -6.516 6.367 115 HD13 ILE 14 2HD1 ILE 14 -14.080 -6.444 4.795 116 H LEU 15 H LEU 15 -11.768 -8.785 1.744 117 HA LEU 15 HA LEU 15 -10.773 -6.941 -0.193 118 HB2 LEU 15 2HB LEU 15 -13.203 -8.725 -0.235 119 HB3 LEU 15 1HB LEU 15 -12.609 -7.816 -1.608 120 HG LEU 15 HG LEU 15 -11.092 -10.009 -0.206 121 HD11 LEU 15 1HD1 LEU 15 -13.012 -10.888 -1.360 122 HD12 LEU 15 2HD1 LEU 15 -11.538 -11.297 -2.242 123 HD13 LEU 15 3HD1 LEU 15 -12.577 -9.991 -2.811 124 HD21 LEU 15 3HD2 LEU 15 -9.586 -9.868 -2.144 125 HD22 LEU 15 1HD2 LEU 15 -9.604 -8.367 -1.218 126 HD23 LEU 15 2HD2 LEU 15 -10.492 -8.478 -2.737 127 H GLY 16 H GLY 16 -11.779 -5.169 -1.027 128 HA2 GLY 16 2HA GLY 16 -13.412 -3.498 -1.184 129 HA3 GLY 16 1HA GLY 16 -14.259 -4.225 0.181 130 H PHE 17 H PHE 17 -10.926 -3.953 0.591 131 HA PHE 17 HA PHE 17 -11.330 -1.870 2.567 132 HB2 PHE 17 2HB PHE 17 -10.039 -4.032 3.070 133 HB3 PHE 17 1HB PHE 17 -8.785 -3.435 1.994 134 HD1 PHE 17 1HD PHE 17 -10.692 -2.494 5.060 135 HD2 PHE 17 2HD PHE 17 -7.049 -2.134 2.875 136 HE1 PHE 17 1HE PHE 17 -9.682 -1.289 6.943 137 HE2 PHE 17 2HE PHE 17 -6.039 -0.932 4.752 138 HZ PHE 17 HZ PHE 17 -7.351 -0.501 6.795 139 H VAL 18 H VAL 18 -9.164 -0.372 2.591 140 HA VAL 18 HA VAL 18 -9.319 0.850 -0.047 141 HB VAL 18 HB VAL 18 -8.670 2.971 1.080 142 HG11 VAL 18 1HG1 VAL 18 -11.006 2.459 0.667 143 HG12 VAL 18 2HG1 VAL 18 -10.829 3.337 2.188 144 HG13 VAL 18 3HG1 VAL 18 -11.104 1.594 2.199 145 HG21 VAL 18 3HG2 VAL 18 -9.028 1.380 3.628 146 HG22 VAL 18 1HG2 VAL 18 -8.776 3.122 3.528 147 HG23 VAL 18 2HG2 VAL 18 -7.499 2.010 3.023 148 H TYR 19 H TYR 19 -7.547 1.768 -0.952 149 HA TYR 19 HA TYR 19 -4.988 0.660 -0.080 150 HB2 TYR 19 2HB TYR 19 -5.963 1.239 -2.888 151 HB3 TYR 19 1HB TYR 19 -4.353 0.666 -2.461 152 HD1 TYR 19 2HD TYR 19 -4.176 -1.562 -1.268 153 HD2 TYR 19 1HD TYR 19 -7.696 -0.312 -3.283 154 HE1 TYR 19 2HE TYR 19 -4.922 -3.875 -1.364 155 HE2 TYR 19 1HE TYR 19 -8.460 -2.624 -3.396 156 HH TYR 19 HH TYR 19 -7.484 -4.854 -3.346 157 H CYS 20 H CYS 20 -3.134 2.053 -0.911 158 HA CYS 20 HA CYS 20 -3.563 4.605 0.227 159 HB2 CYS 20 2HB CYS 20 -1.173 3.645 -1.375 160 HB3 CYS 20 1HB CYS 20 -1.233 5.053 -0.319 161 H CYS 21 H CYS 21 -3.703 6.557 -0.701 162 HA CYS 21 HA CYS 21 -4.964 6.939 -3.132 163 HB2 CYS 21 2HB CYS 21 -3.325 8.806 -1.451 164 HB3 CYS 21 1HB CYS 21 -4.278 9.349 -2.837 165 HA PRO 22 HA PRO 22 -2.114 6.827 -6.456 166 HB2 PRO 22 2HB PRO 22 -2.798 9.074 -7.884 167 HB3 PRO 22 1HB PRO 22 -3.732 7.570 -7.896 168 HG2 PRO 22 2HG PRO 22 -4.182 10.055 -6.290 169 HG3 PRO 22 1HG PRO 22 -5.362 9.078 -7.188 170 HD2 PRO 22 2HD PRO 22 -5.099 8.835 -4.540 171 HD3 PRO 22 1HD PRO 22 -5.394 7.407 -5.545 172 H GLY 23 H GLY 23 -0.099 7.556 -6.949 173 HA2 GLY 23 2HA GLY 23 1.610 9.176 -7.137 174 HA3 GLY 23 1HA GLY 23 0.729 10.196 -6.004 175 H LEU 24 H LEU 24 0.518 7.263 -4.698 176 HA LEU 24 HA LEU 24 2.955 7.684 -3.117 177 HB2 LEU 24 2HB LEU 24 0.640 6.029 -2.140 178 HB3 LEU 24 1HB LEU 24 1.906 6.796 -1.290 179 HG LEU 24 HG LEU 24 -0.170 8.475 -2.656 180 HD11 LEU 24 1HD1 LEU 24 -1.143 8.718 -0.370 181 HD12 LEU 24 2HD1 LEU 24 -0.126 7.326 0.094 182 HD13 LEU 24 3HD1 LEU 24 -1.358 7.151 -1.150 183 HD21 LEU 24 3HD2 LEU 24 0.634 10.179 -1.048 184 HD22 LEU 24 1HD2 LEU 24 1.916 9.623 -2.126 185 HD23 LEU 24 2HD2 LEU 24 1.835 9.036 -0.466 186 H ILE 25 H ILE 25 3.999 5.843 -2.486 187 HA ILE 25 HA ILE 25 3.322 3.419 -3.931 188 HB ILE 25 HB ILE 25 5.866 3.006 -4.148 189 HG12 ILE 25 2HG1 ILE 25 7.073 5.228 -4.714 190 HG13 ILE 25 1HG1 ILE 25 5.801 5.977 -3.762 191 HG21 ILE 25 1HG2 ILE 25 4.481 4.957 -5.950 192 HG22 ILE 25 2HG2 ILE 25 4.431 3.196 -6.044 193 HG23 ILE 25 3HG2 ILE 25 5.940 4.053 -6.355 194 HD11 ILE 25 3HD1 ILE 25 7.847 5.670 -2.467 195 HD12 ILE 25 1HD1 ILE 25 7.759 3.930 -2.740 196 HD13 ILE 25 2HD1 ILE 25 6.506 4.738 -1.799 197 H CYS 26 H CYS 26 3.802 1.548 -2.929 198 HA CYS 26 HA CYS 26 4.223 1.869 -0.064 199 HB2 CYS 26 2HB CYS 26 2.273 0.563 -1.079 200 HB3 CYS 26 1HB CYS 26 3.457 -0.671 -1.510 201 H GLY 27 H GLY 27 6.290 2.025 0.320 202 HA2 GLY 27 2HA GLY 27 8.163 0.437 -1.260 203 HA3 GLY 27 1HA GLY 27 8.589 1.787 -0.223 204 HA PRO 28 HA PRO 28 10.265 -1.039 2.699 205 HB2 PRO 28 2HB PRO 28 9.484 0.345 5.016 206 HB3 PRO 28 1HB PRO 28 10.990 0.586 4.125 207 HG2 PRO 28 2HG PRO 28 8.439 2.129 4.012 208 HG3 PRO 28 1HG PRO 28 10.108 2.710 3.880 209 HD2 PRO 28 2HD PRO 28 8.547 2.501 1.736 210 HD3 PRO 28 1HD PRO 28 10.273 2.085 1.644 211 H PHE 29 H PHE 29 7.170 0.257 3.694 212 HA PHE 29 HA PHE 29 5.955 -2.321 3.955 213 HB2 PHE 29 2HB PHE 29 7.224 -2.223 6.082 214 HB3 PHE 29 1HB PHE 29 6.501 -0.662 6.436 215 HD1 PHE 29 2HD PHE 29 4.162 -0.514 7.102 216 HD2 PHE 29 1HD PHE 29 6.036 -4.250 6.416 217 HE1 PHE 29 2HE PHE 29 2.334 -1.627 8.306 218 HE2 PHE 29 1HE PHE 29 4.215 -5.390 7.620 219 HZ PHE 29 HZ PHE 29 2.358 -4.082 8.569 220 H VAL 30 H VAL 30 6.055 1.096 4.580 221 HA VAL 30 HA VAL 30 3.159 1.287 4.435 222 HB VAL 30 HB VAL 30 3.500 3.579 5.308 223 HG11 VAL 30 1HG1 VAL 30 3.183 1.755 6.903 224 HG12 VAL 30 2HG1 VAL 30 4.262 2.989 7.556 225 HG13 VAL 30 3HG1 VAL 30 4.926 1.478 6.937 226 HG21 VAL 30 3HG2 VAL 30 5.694 4.051 4.350 227 HG22 VAL 30 1HG2 VAL 30 6.427 2.826 5.385 228 HG23 VAL 30 2HG2 VAL 30 5.733 4.275 6.100 229 H CYS 31 H CYS 31 2.471 3.345 3.300 230 HA CYS 31 HA CYS 31 3.797 3.546 0.721 231 HB2 CYS 31 2HB CYS 31 1.204 4.657 1.788 232 HB3 CYS 31 1HB CYS 31 1.777 4.883 0.131 233 H VAL 32 H VAL 32 4.258 5.619 -0.076 234 HA VAL 32 HA VAL 32 4.467 7.815 1.627 235 HB VAL 32 HB VAL 32 6.307 6.591 2.624 236 HG11 VAL 32 1HG1 VAL 32 6.842 5.063 0.804 237 HG12 VAL 32 2HG1 VAL 32 8.293 5.899 1.351 238 HG13 VAL 32 3HG1 VAL 32 7.500 6.396 -0.144 239 HG21 VAL 32 3HG2 VAL 32 7.277 8.826 0.848 240 HG22 VAL 32 1HG2 VAL 32 8.179 8.159 2.213 241 HG23 VAL 32 2HG2 VAL 32 6.639 8.950 2.491 Start of MODEL 7 1 H1 ARG 1 H ARG 1 -11.974 11.409 -1.594 2 HA ARG 1 HA ARG 1 -11.414 9.618 -3.809 3 HB2 ARG 1 2HB ARG 1 -9.304 10.925 -2.100 4 HB3 ARG 1 1HB ARG 1 -9.036 9.576 -3.181 5 HG2 ARG 1 2HG ARG 1 -9.950 12.297 -4.065 6 HG3 ARG 1 1HG ARG 1 -8.268 11.785 -4.023 7 HD2 ARG 1 2HD ARG 1 -9.009 11.525 -6.253 8 HD3 ARG 1 1HD ARG 1 -8.901 9.910 -5.573 9 HE ARG 1 HE ARG 1 -11.541 10.866 -5.306 10 HH11 ARG 1 1HH1 ARG 1 -9.288 9.686 -7.763 11 HH12 ARG 1 2HH1 ARG 1 -10.476 9.262 -8.886 12 HH21 ARG 1 1HH2 ARG 1 -13.193 10.254 -6.818 13 HH22 ARG 1 2HH2 ARG 1 -12.804 9.582 -8.332 14 H ASP 2 H ASP 2 -11.764 7.716 -3.184 15 HA ASP 2 HA ASP 2 -11.608 7.193 -0.345 16 HB2 ASP 2 2HB ASP 2 -12.867 5.172 -0.744 17 HB3 ASP 2 1HB ASP 2 -13.701 6.491 -1.532 18 H CYS 3 H CYS 3 -9.674 6.728 0.287 19 HA CYS 3 HA CYS 3 -8.183 4.534 -0.610 20 HB2 CYS 3 2HB CYS 3 -6.210 5.839 -1.442 21 HB3 CYS 3 1HB CYS 3 -7.591 5.907 -2.529 22 H GLN 4 H GLN 4 -5.862 4.842 0.427 23 HA GLN 4 HA GLN 4 -6.393 5.996 3.071 24 HB2 GLN 4 2HB GLN 4 -5.232 4.219 4.069 25 HB3 GLN 4 1HB GLN 4 -6.168 3.461 2.796 26 HG2 GLN 4 2HG GLN 4 -4.226 3.395 1.356 27 HG3 GLN 4 1HG GLN 4 -3.248 4.121 2.629 28 HE21 GLN 4 1HE2 GLN 4 -4.811 1.341 1.520 29 HE22 GLN 4 2HE2 GLN 4 -4.219 0.251 2.737 30 H GLU 5 H GLU 5 -4.692 6.956 4.081 31 HA GLU 5 HA GLU 5 -3.068 8.504 2.398 32 HB2 GLU 5 2HB GLU 5 -3.120 8.120 5.355 33 HB3 GLU 5 1HB GLU 5 -2.032 9.276 4.570 34 HG2 GLU 5 2HG GLU 5 -4.074 10.319 3.569 35 HG3 GLU 5 1HG GLU 5 -5.031 9.252 4.592 36 H LYS 6 H LYS 6 -0.679 8.726 3.009 37 HA LYS 6 HA LYS 6 0.291 6.296 1.970 38 HB2 LYS 6 2HB LYS 6 2.297 7.389 1.383 39 HB3 LYS 6 1HB LYS 6 0.998 8.545 1.198 40 HG2 LYS 6 2HG LYS 6 1.735 9.255 3.576 41 HG3 LYS 6 1HG LYS 6 3.259 8.539 3.102 42 HD2 LYS 6 2HD LYS 6 2.917 9.980 0.879 43 HD3 LYS 6 1HD LYS 6 1.784 10.827 1.965 44 HE2 LYS 6 2HE LYS 6 3.452 11.335 3.454 45 HE3 LYS 6 1HE LYS 6 4.676 10.460 2.520 46 HZ1 LYS 6 3HZ LYS 6 4.188 12.073 0.686 47 HZ2 LYS 6 1HZ LYS 6 4.841 12.790 2.068 48 HZ3 LYS 6 2HZ LYS 6 3.202 12.913 1.740 49 H TRP 7 H TRP 7 0.809 7.932 4.987 50 HA TRP 7 HA TRP 7 2.738 5.996 5.884 51 HB2 TRP 7 2HB TRP 7 1.403 8.268 7.336 52 HB3 TRP 7 1HB TRP 7 2.740 7.308 7.961 53 HD1 TRP 7 HD TRP 7 2.049 10.375 5.994 54 HE1 TRP 7 1HE TRP 7 4.175 11.280 4.979 55 HE3 TRP 7 3HE TRP 7 5.092 6.327 6.708 56 HZ2 TRP 7 2HZ TRP 7 6.809 10.443 4.505 57 HZ3 TRP 7 3HZ TRP 7 7.417 6.481 5.885 58 HH2 TRP 7 HH TRP 7 8.242 8.504 4.822 59 H GLU 8 H GLU 8 0.010 5.114 5.286 60 HA GLU 8 HA GLU 8 -1.049 4.303 7.848 61 HB2 GLU 8 2HB GLU 8 -1.909 3.806 5.016 62 HB3 GLU 8 1HB GLU 8 -2.709 3.078 6.394 63 HG2 GLU 8 2HG GLU 8 -2.484 6.006 5.768 64 HG3 GLU 8 1HG GLU 8 -3.916 4.968 5.659 65 H TYR 9 H TYR 9 -1.808 1.738 7.504 66 HA TYR 9 HA TYR 9 0.768 0.509 7.751 67 HB2 TYR 9 2HB TYR 9 -1.999 -0.582 8.250 68 HB3 TYR 9 1HB TYR 9 -0.522 -1.514 8.490 69 HD1 TYR 9 2HD TYR 9 1.242 -0.506 10.045 70 HD2 TYR 9 1HD TYR 9 -2.807 0.776 10.005 71 HE1 TYR 9 2HE TYR 9 1.540 0.461 12.272 72 HE2 TYR 9 1HE TYR 9 -2.521 1.756 12.238 73 HH TYR 9 HH TYR 9 0.535 2.177 13.670 74 H CYS 10 H CYS 10 -1.126 1.072 5.215 75 HA CYS 10 HA CYS 10 -1.278 0.363 3.097 76 HB2 CYS 10 2HB CYS 10 1.103 0.974 3.220 77 HB3 CYS 10 1HB CYS 10 1.516 -0.678 3.670 78 H ILE 11 H ILE 11 -2.862 -1.136 4.282 79 HA ILE 11 HA ILE 11 -2.150 -3.946 3.924 80 HB ILE 11 HB ILE 11 -4.739 -2.744 4.995 81 HG12 ILE 11 2HG1 ILE 11 -2.411 -3.862 6.576 82 HG13 ILE 11 1HG1 ILE 11 -2.732 -2.146 6.374 83 HG21 ILE 11 1HG2 ILE 11 -3.624 -5.542 5.185 84 HG22 ILE 11 2HG2 ILE 11 -4.976 -5.030 4.175 85 HG23 ILE 11 3HG2 ILE 11 -5.117 -4.977 5.933 86 HD11 ILE 11 3HD1 ILE 11 -4.533 -4.142 7.735 87 HD12 ILE 11 1HD1 ILE 11 -4.875 -2.424 7.527 88 HD13 ILE 11 2HD1 ILE 11 -3.517 -2.935 8.528 89 H VAL 12 H VAL 12 -2.962 -5.110 2.238 90 HA VAL 12 HA VAL 12 -4.652 -3.617 0.397 91 HB VAL 12 HB VAL 12 -3.491 -4.757 -1.483 92 HG11 VAL 12 1HG1 VAL 12 -2.811 -2.520 -0.847 93 HG12 VAL 12 2HG1 VAL 12 -1.413 -3.455 -1.380 94 HG13 VAL 12 3HG1 VAL 12 -1.686 -3.179 0.340 95 HG21 VAL 12 3HG2 VAL 12 -1.344 -5.883 -1.105 96 HG22 VAL 12 1HG2 VAL 12 -2.654 -6.735 -0.289 97 HG23 VAL 12 2HG2 VAL 12 -1.554 -5.712 0.636 98 HA PRO 13 HA PRO 13 -7.425 -7.058 0.611 99 HB2 PRO 13 2HB PRO 13 -8.714 -6.624 -1.784 100 HB3 PRO 13 1HB PRO 13 -9.094 -5.762 -0.293 101 HG2 PRO 13 2HG PRO 13 -7.448 -4.896 -2.619 102 HG3 PRO 13 1HG PRO 13 -8.560 -3.953 -1.614 103 HD2 PRO 13 2HD PRO 13 -5.875 -3.815 -1.337 104 HD3 PRO 13 1HD PRO 13 -6.989 -3.606 0.025 105 H ILE 14 H ILE 14 -5.654 -6.399 -2.396 106 HA ILE 14 HA ILE 14 -5.429 -9.297 -2.772 107 HB ILE 14 HB ILE 14 -5.400 -7.210 -4.987 108 HG12 ILE 14 2HG1 ILE 14 -7.592 -9.185 -4.271 109 HG13 ILE 14 1HG1 ILE 14 -7.653 -7.459 -3.943 110 HG21 ILE 14 1HG2 ILE 14 -4.075 -9.221 -5.468 111 HG22 ILE 14 2HG2 ILE 14 -5.514 -9.160 -6.486 112 HG23 ILE 14 3HG2 ILE 14 -5.466 -10.236 -5.089 113 HD11 ILE 14 3HD1 ILE 14 -7.536 -8.743 -6.666 114 HD12 ILE 14 1HD1 ILE 14 -7.596 -7.009 -6.348 115 HD13 ILE 14 2HD1 ILE 14 -8.960 -8.033 -5.904 116 H LEU 15 H LEU 15 -3.433 -9.951 -2.494 117 HA LEU 15 HA LEU 15 -1.277 -8.158 -2.074 118 HB2 LEU 15 2HB LEU 15 -1.514 -10.300 -0.877 119 HB3 LEU 15 1HB LEU 15 -1.266 -11.165 -2.375 120 HG LEU 15 HG LEU 15 1.034 -10.222 -2.491 121 HD11 LEU 15 1HD1 LEU 15 0.399 -9.177 0.260 122 HD12 LEU 15 2HD1 LEU 15 0.731 -8.215 -1.180 123 HD13 LEU 15 3HD1 LEU 15 1.999 -9.216 -0.477 124 HD21 LEU 15 3HD2 LEU 15 1.964 -11.645 -0.725 125 HD22 LEU 15 1HD2 LEU 15 0.648 -12.448 -1.583 126 HD23 LEU 15 2HD2 LEU 15 0.368 -11.759 0.017 127 H GLY 16 H GLY 16 0.386 -7.616 -3.354 128 HA2 GLY 16 2HA GLY 16 1.862 -7.977 -5.211 129 HA3 GLY 16 1HA GLY 16 0.529 -8.753 -6.062 130 H PHE 17 H PHE 17 -0.952 -6.392 -4.628 131 HA PHE 17 HA PHE 17 -0.348 -4.358 -6.656 132 HB2 PHE 17 2HB PHE 17 -3.059 -5.121 -5.523 133 HB3 PHE 17 1HB PHE 17 -2.760 -3.776 -6.612 134 HD1 PHE 17 2HD PHE 17 -2.202 -4.202 -8.975 135 HD2 PHE 17 1HD PHE 17 -3.186 -7.368 -6.313 136 HE1 PHE 17 2HE PHE 17 -2.576 -5.690 -10.890 137 HE2 PHE 17 1HE PHE 17 -3.564 -8.864 -8.226 138 HZ PHE 17 HZ PHE 17 -3.259 -8.028 -10.520 139 H VAL 18 H VAL 18 -0.778 -2.171 -5.863 140 HA VAL 18 HA VAL 18 -0.617 -2.085 -2.946 141 HB VAL 18 HB VAL 18 0.591 -0.196 -4.996 142 HG11 VAL 18 1HG1 VAL 18 1.512 1.049 -3.101 143 HG12 VAL 18 2HG1 VAL 18 0.611 0.016 -1.989 144 HG13 VAL 18 3HG1 VAL 18 -0.252 1.083 -3.096 145 HG21 VAL 18 3HG2 VAL 18 1.844 -2.263 -4.678 146 HG22 VAL 18 1HG2 VAL 18 1.851 -2.003 -2.935 147 HG23 VAL 18 2HG2 VAL 18 2.726 -0.898 -3.990 148 H TYR 19 H TYR 19 -2.156 -1.019 -1.890 149 HA TYR 19 HA TYR 19 -3.853 0.718 -3.476 150 HB2 TYR 19 2HB TYR 19 -5.148 -1.257 -2.957 151 HB3 TYR 19 1HB TYR 19 -4.723 -1.137 -1.252 152 HD1 TYR 19 2HD TYR 19 -6.228 1.058 -3.895 153 HD2 TYR 19 1HD TYR 19 -6.369 -0.276 0.146 154 HE1 TYR 19 2HE TYR 19 -8.163 2.486 -3.503 155 HE2 TYR 19 1HE TYR 19 -8.316 1.160 0.554 156 HH TYR 19 HH TYR 19 -10.062 2.614 -1.964 157 H CYS 20 H CYS 20 -3.273 2.642 -2.991 158 HA CYS 20 HA CYS 20 -4.048 3.726 -0.562 159 HB2 CYS 20 2HB CYS 20 -1.837 4.872 -0.015 160 HB3 CYS 20 1HB CYS 20 -1.845 3.155 0.320 161 H CYS 21 H CYS 21 -3.664 6.165 -0.705 162 HA CYS 21 HA CYS 21 -4.977 7.067 -2.957 163 HB2 CYS 21 2HB CYS 21 -3.190 8.583 -1.070 164 HB3 CYS 21 1HB CYS 21 -4.231 9.364 -2.271 165 HA PRO 22 HA PRO 22 -2.369 7.277 -6.440 166 HB2 PRO 22 2HB PRO 22 -3.066 9.676 -7.557 167 HB3 PRO 22 1HB PRO 22 -4.032 8.205 -7.680 168 HG2 PRO 22 2HG PRO 22 -4.354 10.525 -5.824 169 HG3 PRO 22 1HG PRO 22 -5.598 9.615 -6.699 170 HD2 PRO 22 2HD PRO 22 -5.116 9.205 -4.102 171 HD3 PRO 22 1HD PRO 22 -5.557 7.863 -5.163 172 H GLY 23 H GLY 23 -0.315 7.700 -6.760 173 HA2 GLY 23 2HA GLY 23 1.485 9.189 -7.091 174 HA3 GLY 23 1HA GLY 23 0.741 10.307 -5.952 175 H LEU 24 H LEU 24 0.435 7.305 -4.666 176 HA LEU 24 HA LEU 24 2.847 7.740 -3.049 177 HB2 LEU 24 2HB LEU 24 0.536 6.029 -2.193 178 HB3 LEU 24 1HB LEU 24 1.819 6.743 -1.285 179 HG LEU 24 HG LEU 24 -0.297 8.426 -2.562 180 HD11 LEU 24 1HD1 LEU 24 -1.367 7.035 -1.003 181 HD12 LEU 24 2HD1 LEU 24 -1.121 8.603 -0.191 182 HD13 LEU 24 3HD1 LEU 24 -0.048 7.226 0.133 183 HD21 LEU 24 3HD2 LEU 24 0.572 10.106 -0.928 184 HD22 LEU 24 1HD2 LEU 24 1.748 9.612 -2.147 185 HD23 LEU 24 2HD2 LEU 24 1.860 8.972 -0.520 186 H ILE 25 H ILE 25 4.072 6.045 -2.531 187 HA ILE 25 HA ILE 25 3.641 3.551 -4.026 188 HB ILE 25 HB ILE 25 6.200 3.403 -4.176 189 HG12 ILE 25 2HG1 ILE 25 5.943 6.384 -3.666 190 HG13 ILE 25 1HG1 ILE 25 6.707 5.232 -2.585 191 HG21 ILE 25 1HG2 ILE 25 4.827 3.743 -6.125 192 HG22 ILE 25 2HG2 ILE 25 6.272 4.750 -6.239 193 HG23 ILE 25 3HG2 ILE 25 4.726 5.471 -5.790 194 HD11 ILE 25 3HD1 ILE 25 8.346 6.517 -3.836 195 HD12 ILE 25 1HD1 ILE 25 7.641 5.962 -5.352 196 HD13 ILE 25 2HD1 ILE 25 8.429 4.811 -4.274 197 H CYS 26 H CYS 26 3.856 1.703 -2.903 198 HA CYS 26 HA CYS 26 4.520 1.958 -0.047 199 HB2 CYS 26 2HB CYS 26 2.287 0.962 -0.817 200 HB3 CYS 26 1HB CYS 26 3.211 -0.400 -1.429 201 H GLY 27 H GLY 27 6.588 1.723 0.200 202 HA2 GLY 27 2HA GLY 27 7.997 -0.311 -1.386 203 HA3 GLY 27 1HA GLY 27 8.751 1.090 -0.646 204 HA PRO 28 HA PRO 28 9.910 -1.319 2.789 205 HB2 PRO 28 2HB PRO 28 9.316 0.244 4.981 206 HB3 PRO 28 1HB PRO 28 10.735 0.477 3.958 207 HG2 PRO 28 2HG PRO 28 8.142 1.951 3.969 208 HG3 PRO 28 1HG PRO 28 9.777 2.562 3.671 209 HD2 PRO 28 2HD PRO 28 7.975 2.096 1.683 210 HD3 PRO 28 1HD PRO 28 9.729 1.962 1.458 211 H PHE 29 H PHE 29 7.298 0.245 4.561 212 HA PHE 29 HA PHE 29 5.723 -2.228 4.432 213 HB2 PHE 29 2HB PHE 29 6.356 -0.685 6.973 214 HB3 PHE 29 1HB PHE 29 5.256 -2.046 6.858 215 HD1 PHE 29 2HD PHE 29 6.153 -4.317 6.417 216 HD2 PHE 29 1HD PHE 29 8.711 -0.997 7.135 217 HE1 PHE 29 2HE PHE 29 8.008 -5.855 6.880 218 HE2 PHE 29 1HE PHE 29 10.576 -2.528 7.597 219 HZ PHE 29 HZ PHE 29 10.227 -4.965 7.471 220 H VAL 30 H VAL 30 5.879 0.959 3.805 221 HA VAL 30 HA VAL 30 3.041 1.431 4.209 222 HB VAL 30 HB VAL 30 3.454 3.696 5.092 223 HG11 VAL 30 1HG1 VAL 30 3.085 1.962 6.740 224 HG12 VAL 30 2HG1 VAL 30 4.236 3.151 7.354 225 HG13 VAL 30 3HG1 VAL 30 4.808 1.590 6.766 226 HG21 VAL 30 3HG2 VAL 30 5.638 4.141 4.130 227 HG22 VAL 30 1HG2 VAL 30 6.367 2.905 5.156 228 HG23 VAL 30 2HG2 VAL 30 5.701 4.366 5.879 229 H CYS 31 H CYS 31 2.477 3.515 3.048 230 HA CYS 31 HA CYS 31 3.890 3.719 0.502 231 HB2 CYS 31 2HB CYS 31 1.232 4.734 1.513 232 HB3 CYS 31 1HB CYS 31 1.888 5.225 -0.050 233 H VAL 32 H VAL 32 4.198 5.988 -0.272 234 HA VAL 32 HA VAL 32 4.413 8.118 1.523 235 HB VAL 32 HB VAL 32 6.355 6.905 2.381 236 HG11 VAL 32 1HG1 VAL 32 7.409 6.954 -0.450 237 HG12 VAL 32 2HG1 VAL 32 6.885 5.531 0.451 238 HG13 VAL 32 3HG1 VAL 32 8.318 6.422 0.967 239 HG21 VAL 32 3HG2 VAL 32 7.176 9.265 0.694 240 HG22 VAL 32 1HG2 VAL 32 8.104 8.584 2.035 241 HG23 VAL 32 2HG2 VAL 32 6.529 9.300 2.342 Start of MODEL 8 1 H1 ARG 1 H ARG 1 -12.781 7.895 -4.520 2 HA ARG 1 HA ARG 1 -13.950 5.471 -3.806 3 HB2 ARG 1 2HB ARG 1 -11.214 5.351 -5.014 4 HB3 ARG 1 1HB ARG 1 -11.914 4.097 -4.003 5 HG2 ARG 1 2HG ARG 1 -13.709 3.856 -5.709 6 HG3 ARG 1 1HG ARG 1 -12.796 4.967 -6.738 7 HD2 ARG 1 2HD ARG 1 -12.247 2.649 -7.281 8 HD3 ARG 1 1HD ARG 1 -10.856 3.499 -6.604 9 HE ARG 1 HE ARG 1 -12.513 2.004 -4.757 10 HH11 ARG 1 1HH1 ARG 1 -9.546 2.009 -6.682 11 HH12 ARG 1 2HH1 ARG 1 -8.739 0.867 -5.713 12 HH21 ARG 1 1HH2 ARG 1 -11.438 0.483 -3.425 13 HH22 ARG 1 2HH2 ARG 1 -9.855 -0.036 -3.790 14 H ASP 2 H ASP 2 -12.893 4.549 -2.019 15 HA ASP 2 HA ASP 2 -11.934 6.660 -0.283 16 HB2 ASP 2 2HB ASP 2 -12.740 3.806 0.331 17 HB3 ASP 2 1HB ASP 2 -12.283 5.029 1.502 18 H CYS 3 H CYS 3 -9.787 6.921 -0.471 19 HA CYS 3 HA CYS 3 -8.147 4.492 -0.354 20 HB2 CYS 3 2HB CYS 3 -6.342 5.804 -1.398 21 HB3 CYS 3 1HB CYS 3 -7.753 5.686 -2.437 22 H GLN 4 H GLN 4 -5.914 5.051 0.652 23 HA GLN 4 HA GLN 4 -6.457 6.596 3.118 24 HB2 GLN 4 2HB GLN 4 -5.383 4.900 4.401 25 HB3 GLN 4 1HB GLN 4 -6.422 4.089 3.237 26 HG2 GLN 4 2HG GLN 4 -4.604 3.581 1.819 27 HG3 GLN 4 1HG GLN 4 -3.467 4.384 2.911 28 HE21 GLN 4 1HE2 GLN 4 -3.461 1.721 2.005 29 HE22 GLN 4 2HE2 GLN 4 -3.691 0.662 3.339 30 H GLU 5 H GLU 5 -4.560 7.330 4.185 31 HA GLU 5 HA GLU 5 -2.919 8.762 2.394 32 HB2 GLU 5 2HB GLU 5 -2.930 8.406 5.341 33 HB3 GLU 5 1HB GLU 5 -1.744 9.460 4.542 34 HG2 GLU 5 2HG GLU 5 -3.680 10.731 3.615 35 HG3 GLU 5 1HG GLU 5 -4.743 9.703 4.570 36 H LYS 6 H LYS 6 -0.453 8.803 3.009 37 HA LYS 6 HA LYS 6 0.323 6.336 1.906 38 HB2 LYS 6 2HB LYS 6 2.453 7.268 1.454 39 HB3 LYS 6 1HB LYS 6 1.228 8.480 1.156 40 HG2 LYS 6 2HG LYS 6 1.878 9.122 3.627 41 HG3 LYS 6 1HG LYS 6 3.411 8.441 3.130 42 HD2 LYS 6 2HD LYS 6 3.048 9.952 0.956 43 HD3 LYS 6 1HD LYS 6 1.869 10.702 2.063 44 HE2 LYS 6 2HE LYS 6 3.506 11.245 3.579 45 HE3 LYS 6 1HE LYS 6 4.778 10.505 2.590 46 HZ1 LYS 6 3HZ LYS 6 4.655 12.917 2.303 47 HZ2 LYS 6 1HZ LYS 6 3.057 12.798 1.828 48 HZ3 LYS 6 2HZ LYS 6 4.274 12.147 0.858 49 H TRP 7 H TRP 7 0.974 7.795 5.019 50 HA TRP 7 HA TRP 7 2.822 5.700 5.757 51 HB2 TRP 7 2HB TRP 7 1.621 7.889 7.450 52 HB3 TRP 7 1HB TRP 7 2.994 6.877 7.880 53 HD1 TRP 7 HD TRP 7 2.097 10.055 6.079 54 HE1 TRP 7 1HE TRP 7 4.195 11.124 5.133 55 HE3 TRP 7 3HE TRP 7 5.361 6.174 6.675 56 HZ2 TRP 7 2HZ TRP 7 6.878 10.464 4.673 57 HZ3 TRP 7 3HZ TRP 7 7.677 6.476 5.912 58 HH2 TRP 7 HH TRP 7 8.418 8.584 4.939 59 H GLU 8 H GLU 8 -0.016 5.085 5.190 60 HA GLU 8 HA GLU 8 -1.117 4.242 7.745 61 HB2 GLU 8 2HB GLU 8 -2.159 4.056 4.931 62 HB3 GLU 8 1HB GLU 8 -3.020 3.453 6.337 63 HG2 GLU 8 2HG GLU 8 -2.228 6.306 5.846 64 HG3 GLU 8 1HG GLU 8 -3.841 5.630 5.638 65 H TYR 9 H TYR 9 -2.384 1.881 6.913 66 HA TYR 9 HA TYR 9 -0.364 -0.004 7.410 67 HB2 TYR 9 2HB TYR 9 -3.200 -0.394 6.458 68 HB3 TYR 9 1HB TYR 9 -2.130 -1.710 6.919 69 HD1 TYR 9 2HD TYR 9 -1.542 -2.071 9.261 70 HD2 TYR 9 1HD TYR 9 -4.160 1.083 8.127 71 HE1 TYR 9 2HE TYR 9 -2.243 -1.825 11.590 72 HE2 TYR 9 1HE TYR 9 -4.868 1.342 10.452 73 HH TYR 9 HH TYR 9 -3.230 -0.090 13.038 74 H CYS 10 H CYS 10 -1.600 1.273 4.452 75 HA CYS 10 HA CYS 10 -1.154 0.961 2.285 76 HB2 CYS 10 2HB CYS 10 1.174 1.127 2.744 77 HB3 CYS 10 1HB CYS 10 1.268 -0.522 3.356 78 H ILE 11 H ILE 11 -0.251 -2.230 3.581 79 HA ILE 11 HA ILE 11 -2.597 -3.358 2.346 80 HB ILE 11 HB ILE 11 -1.329 -5.332 1.518 81 HG12 ILE 11 2HG1 ILE 11 1.168 -3.684 1.997 82 HG13 ILE 11 1HG1 ILE 11 0.672 -5.070 2.962 83 HG21 ILE 11 1HG2 ILE 11 -0.377 -4.337 -0.508 84 HG22 ILE 11 2HG2 ILE 11 -0.474 -2.744 0.243 85 HG23 ILE 11 3HG2 ILE 11 -1.949 -3.653 -0.091 86 HD11 ILE 11 3HD1 ILE 11 0.893 -6.509 0.999 87 HD12 ILE 11 1HD1 ILE 11 2.404 -5.676 1.362 88 HD13 ILE 11 2HD1 ILE 11 1.385 -5.118 0.035 89 H VAL 12 H VAL 12 -3.259 -5.244 3.429 90 HA VAL 12 HA VAL 12 -1.792 -6.099 5.751 91 HB VAL 12 HB VAL 12 -2.997 -4.042 6.505 92 HG11 VAL 12 1HG1 VAL 12 -5.435 -3.992 6.702 93 HG12 VAL 12 2HG1 VAL 12 -5.513 -5.486 5.765 94 HG13 VAL 12 3HG1 VAL 12 -4.867 -4.020 5.030 95 HG21 VAL 12 3HG2 VAL 12 -4.081 -6.577 7.727 96 HG22 VAL 12 1HG2 VAL 12 -4.162 -4.981 8.471 97 HG23 VAL 12 2HG2 VAL 12 -2.598 -5.734 8.178 98 HA PRO 13 HA PRO 13 -3.940 -9.825 4.414 99 HB2 PRO 13 2HB PRO 13 -3.826 -11.275 6.746 100 HB3 PRO 13 1HB PRO 13 -2.480 -11.122 5.613 101 HG2 PRO 13 2HG PRO 13 -3.006 -9.634 8.147 102 HG3 PRO 13 1HG PRO 13 -1.477 -10.287 7.535 103 HD2 PRO 13 2HD PRO 13 -2.077 -7.676 7.360 104 HD3 PRO 13 1HD PRO 13 -1.158 -8.506 6.090 105 H ILE 14 H ILE 14 -5.745 -8.042 4.664 106 HA ILE 14 HA ILE 14 -8.004 -9.350 5.997 107 HB ILE 14 HB ILE 14 -7.489 -6.343 5.869 108 HG12 ILE 14 2HG1 ILE 14 -7.725 -8.136 8.301 109 HG13 ILE 14 1HG1 ILE 14 -6.227 -7.450 7.686 110 HG21 ILE 14 1HG2 ILE 14 -9.894 -7.795 6.961 111 HG22 ILE 14 2HG2 ILE 14 -9.837 -6.835 5.486 112 HG23 ILE 14 3HG2 ILE 14 -9.612 -6.057 7.054 113 HD11 ILE 14 3HD1 ILE 14 -7.057 -5.207 8.187 114 HD12 ILE 14 1HD1 ILE 14 -7.051 -6.229 9.624 115 HD13 ILE 14 2HD1 ILE 14 -8.566 -5.898 8.783 116 H LEU 15 H LEU 15 -9.381 -9.850 4.341 117 HA LEU 15 HA LEU 15 -8.954 -8.606 1.813 118 HB2 LEU 15 2HB LEU 15 -10.774 -9.942 0.897 119 HB3 LEU 15 1HB LEU 15 -9.652 -10.947 1.775 120 HG LEU 15 HG LEU 15 -12.325 -10.069 2.893 121 HD11 LEU 15 1HD1 LEU 15 -12.666 -11.346 0.838 122 HD12 LEU 15 2HD1 LEU 15 -13.128 -12.298 2.248 123 HD13 LEU 15 3HD1 LEU 15 -11.594 -12.610 1.437 124 HD21 LEU 15 3HD2 LEU 15 -10.413 -12.283 3.650 125 HD22 LEU 15 1HD2 LEU 15 -12.007 -12.030 4.357 126 HD23 LEU 15 2HD2 LEU 15 -10.753 -10.824 4.586 127 H GLY 16 H GLY 16 -10.150 -7.167 0.728 128 HA2 GLY 16 2HA GLY 16 -11.682 -5.489 0.441 129 HA3 GLY 16 1HA GLY 16 -12.461 -5.971 1.947 130 H PHE 17 H PHE 17 -9.041 -5.292 1.651 131 HA PHE 17 HA PHE 17 -9.320 -3.308 3.728 132 HB2 PHE 17 2HB PHE 17 -6.900 -3.293 3.889 133 HB3 PHE 17 1HB PHE 17 -7.450 -4.955 3.817 134 HD1 PHE 17 2HD PHE 17 -7.024 -6.292 1.774 135 HD2 PHE 17 1HD PHE 17 -5.489 -2.356 2.215 136 HE1 PHE 17 2HE PHE 17 -5.416 -6.703 -0.052 137 HE2 PHE 17 1HE PHE 17 -3.898 -2.758 0.418 138 HZ PHE 17 HZ PHE 17 -3.855 -4.939 -0.732 139 H VAL 18 H VAL 18 -7.770 -1.301 3.430 140 HA VAL 18 HA VAL 18 -8.659 -0.039 0.950 141 HB VAL 18 HB VAL 18 -7.661 1.244 3.522 142 HG11 VAL 18 1HG1 VAL 18 -9.044 2.475 1.146 143 HG12 VAL 18 2HG1 VAL 18 -7.346 2.663 1.578 144 HG13 VAL 18 3HG1 VAL 18 -8.601 3.317 2.631 145 HG21 VAL 18 3HG2 VAL 18 -10.000 1.840 3.971 146 HG22 VAL 18 1HG2 VAL 18 -9.758 0.092 3.943 147 HG23 VAL 18 2HG2 VAL 18 -10.500 0.902 2.563 148 H TYR 19 H TYR 19 -7.120 0.908 -0.355 149 HA TYR 19 HA TYR 19 -4.334 0.333 0.332 150 HB2 TYR 19 2HB TYR 19 -5.230 -0.812 -1.725 151 HB3 TYR 19 1HB TYR 19 -5.527 0.769 -2.431 152 HD1 TYR 19 2HD TYR 19 -2.790 -1.375 -1.072 153 HD2 TYR 19 1HD TYR 19 -3.832 1.809 -3.702 154 HE1 TYR 19 2HE TYR 19 -0.508 -1.368 -1.955 155 HE2 TYR 19 1HE TYR 19 -1.554 1.829 -4.587 156 HH TYR 19 HH TYR 19 0.693 -0.666 -3.961 157 H CYS 20 H CYS 20 -2.779 1.981 -0.546 158 HA CYS 20 HA CYS 20 -3.459 4.499 0.531 159 HB2 CYS 20 2HB CYS 20 -1.116 3.815 -1.254 160 HB3 CYS 20 1HB CYS 20 -1.248 5.184 -0.157 161 H CYS 21 H CYS 21 -3.679 6.459 -0.498 162 HA CYS 21 HA CYS 21 -5.053 6.643 -2.903 163 HB2 CYS 21 2HB CYS 21 -3.451 8.694 -1.381 164 HB3 CYS 21 1HB CYS 21 -4.538 9.100 -2.712 165 HA PRO 22 HA PRO 22 -2.006 6.461 -6.086 166 HB2 PRO 22 2HB PRO 22 -2.898 8.387 -7.808 167 HB3 PRO 22 1HB PRO 22 -3.652 6.796 -7.636 168 HG2 PRO 22 2HG PRO 22 -4.448 9.405 -6.415 169 HG3 PRO 22 1HG PRO 22 -5.478 8.162 -7.155 170 HD2 PRO 22 2HD PRO 22 -5.165 8.406 -4.466 171 HD3 PRO 22 1HD PRO 22 -5.407 6.824 -5.246 172 H GLY 23 H GLY 23 -0.195 7.486 -6.897 173 HA2 GLY 23 2HA GLY 23 1.244 9.355 -7.251 174 HA3 GLY 23 1HA GLY 23 0.408 10.196 -5.945 175 H LEU 24 H LEU 24 0.590 7.313 -4.733 176 HA LEU 24 HA LEU 24 3.096 7.893 -3.300 177 HB2 LEU 24 2HB LEU 24 0.909 6.105 -2.271 178 HB3 LEU 24 1HB LEU 24 2.190 6.896 -1.447 179 HG LEU 24 HG LEU 24 0.019 8.521 -2.704 180 HD11 LEU 24 1HD1 LEU 24 0.175 7.243 -0.025 181 HD12 LEU 24 2HD1 LEU 24 -1.137 7.165 -1.233 182 HD13 LEU 24 3HD1 LEU 24 -0.841 8.652 -0.339 183 HD21 LEU 24 3HD2 LEU 24 0.810 10.189 -1.028 184 HD22 LEU 24 1HD2 LEU 24 2.044 9.741 -2.204 185 HD23 LEU 24 2HD2 LEU 24 2.095 9.080 -0.574 186 H ILE 25 H ILE 25 4.321 6.089 -2.684 187 HA ILE 25 HA ILE 25 3.776 3.638 -4.160 188 HB ILE 25 HB ILE 25 6.228 3.277 -4.358 189 HG12 ILE 25 2HG1 ILE 25 6.899 4.973 -2.575 190 HG13 ILE 25 1HG1 ILE 25 7.858 4.986 -4.037 191 HG21 ILE 25 1HG2 ILE 25 5.009 3.963 -6.287 192 HG22 ILE 25 2HG2 ILE 25 6.592 4.741 -6.291 193 HG23 ILE 25 3HG2 ILE 25 5.160 5.659 -5.830 194 HD11 ILE 25 3HD1 ILE 25 7.442 7.224 -3.209 195 HD12 ILE 25 1HD1 ILE 25 5.703 6.968 -3.326 196 HD13 ILE 25 2HD1 ILE 25 6.688 6.995 -4.787 197 H CYS 26 H CYS 26 4.234 1.757 -3.064 198 HA CYS 26 HA CYS 26 4.607 2.135 -0.182 199 HB2 CYS 26 2HB CYS 26 2.569 0.881 -1.173 200 HB3 CYS 26 1HB CYS 26 3.713 -0.396 -1.564 201 H GLY 27 H GLY 27 6.659 2.205 0.186 202 HA2 GLY 27 2HA GLY 27 8.518 0.599 -1.351 203 HA3 GLY 27 1HA GLY 27 8.931 1.810 -0.145 204 HA PRO 28 HA PRO 28 9.747 -1.476 2.602 205 HB2 PRO 28 2HB PRO 28 9.292 -0.275 5.032 206 HB3 PRO 28 1HB PRO 28 10.744 -0.025 4.064 207 HG2 PRO 28 2HG PRO 28 8.377 1.746 4.388 208 HG3 PRO 28 1HG PRO 28 10.074 2.168 4.127 209 HD2 PRO 28 2HD PRO 28 8.103 2.217 2.199 210 HD3 PRO 28 1HD PRO 28 9.840 2.103 1.870 211 H PHE 29 H PHE 29 7.351 -0.072 4.773 212 HA PHE 29 HA PHE 29 5.647 -2.397 4.222 213 HB2 PHE 29 2HB PHE 29 6.061 -1.005 6.890 214 HB3 PHE 29 1HB PHE 29 4.986 -2.356 6.589 215 HD1 PHE 29 2HD PHE 29 5.863 -4.571 6.184 216 HD2 PHE 29 1HD PHE 29 8.445 -1.326 7.078 217 HE1 PHE 29 2HE PHE 29 7.686 -6.156 6.662 218 HE2 PHE 29 1HE PHE 29 10.268 -2.899 7.553 219 HZ PHE 29 HZ PHE 29 9.892 -5.315 7.346 220 H VAL 30 H VAL 30 5.903 0.968 4.337 221 HA VAL 30 HA VAL 30 3.001 1.235 4.129 222 HB VAL 30 HB VAL 30 3.126 3.421 5.193 223 HG11 VAL 30 1HG1 VAL 30 3.713 2.775 7.495 224 HG12 VAL 30 2HG1 VAL 30 4.428 1.284 6.870 225 HG13 VAL 30 3HG1 VAL 30 2.700 1.592 6.673 226 HG21 VAL 30 3HG2 VAL 30 5.229 4.178 6.310 227 HG22 VAL 30 1HG2 VAL 30 5.326 4.159 4.545 228 HG23 VAL 30 2HG2 VAL 30 6.079 2.876 5.476 229 H CYS 31 H CYS 31 2.552 3.491 3.117 230 HA CYS 31 HA CYS 31 4.060 3.696 0.616 231 HB2 CYS 31 2HB CYS 31 1.456 4.879 1.533 232 HB3 CYS 31 1HB CYS 31 2.126 5.025 -0.094 233 H VAL 32 H VAL 32 4.421 5.856 -0.160 234 HA VAL 32 HA VAL 32 4.562 8.025 1.585 235 HB VAL 32 HB VAL 32 6.517 6.862 2.481 236 HG11 VAL 32 1HG1 VAL 32 8.503 6.402 1.085 237 HG12 VAL 32 2HG1 VAL 32 7.594 6.888 -0.346 238 HG13 VAL 32 3HG1 VAL 32 7.101 5.465 0.569 239 HG21 VAL 32 3HG2 VAL 32 6.637 9.257 2.433 240 HG22 VAL 32 1HG2 VAL 32 7.242 9.241 0.776 241 HG23 VAL 32 2HG2 VAL 32 8.233 8.601 2.086 Start of MODEL 9 1 H1 ARG 1 H ARG 1 -11.493 11.607 -2.472 2 HA ARG 1 HA ARG 1 -12.733 9.550 -4.015 3 HB2 ARG 1 2HB ARG 1 -9.738 9.905 -4.159 4 HB3 ARG 1 1HB ARG 1 -10.634 8.521 -4.753 5 HG2 ARG 1 2HG ARG 1 -10.827 11.333 -5.807 6 HG3 ARG 1 1HG ARG 1 -9.973 9.992 -6.567 7 HD2 ARG 1 2HD ARG 1 -12.936 10.157 -6.045 8 HD3 ARG 1 1HD ARG 1 -12.139 10.356 -7.603 9 HE ARG 1 HE ARG 1 -11.313 7.947 -7.000 10 HH11 ARG 1 1HH1 ARG 1 -14.581 9.311 -6.703 11 HH12 ARG 1 2HH1 ARG 1 -15.365 7.811 -6.845 12 HH21 ARG 1 1HH2 ARG 1 -12.386 5.908 -7.221 13 HH22 ARG 1 2HH2 ARG 1 -14.082 5.801 -7.116 14 H ASP 2 H ASP 2 -12.651 7.593 -2.912 15 HA ASP 2 HA ASP 2 -11.701 7.770 -0.193 16 HB2 ASP 2 2HB ASP 2 -13.906 6.761 -0.532 17 HB3 ASP 2 1HB ASP 2 -13.208 5.553 -1.605 18 H CYS 3 H CYS 3 -9.702 7.469 0.098 19 HA CYS 3 HA CYS 3 -8.456 4.993 -0.584 20 HB2 CYS 3 2HB CYS 3 -6.467 6.110 -1.615 21 HB3 CYS 3 1HB CYS 3 -7.908 6.240 -2.612 22 H GLN 4 H GLN 4 -6.048 5.223 0.411 23 HA GLN 4 HA GLN 4 -6.478 6.669 2.919 24 HB2 GLN 4 2HB GLN 4 -5.646 4.856 4.163 25 HB3 GLN 4 1HB GLN 4 -6.661 4.145 2.915 26 HG2 GLN 4 2HG GLN 4 -4.826 3.470 1.638 27 HG3 GLN 4 1HG GLN 4 -3.687 4.292 2.718 28 HE21 GLN 4 1HE2 GLN 4 -3.760 1.600 2.008 29 HE22 GLN 4 2HE2 GLN 4 -4.015 0.667 3.469 30 H GLU 5 H GLU 5 -4.538 7.258 3.993 31 HA GLU 5 HA GLU 5 -2.838 8.498 2.101 32 HB2 GLU 5 2HB GLU 5 -2.999 8.581 5.064 33 HB3 GLU 5 1HB GLU 5 -1.763 9.471 4.163 34 HG2 GLU 5 2HG GLU 5 -3.555 10.625 2.940 35 HG3 GLU 5 1HG GLU 5 -4.743 9.755 3.902 36 H LYS 6 H LYS 6 -0.457 8.695 3.014 37 HA LYS 6 HA LYS 6 0.606 6.336 1.959 38 HB2 LYS 6 2HB LYS 6 2.805 7.506 2.171 39 HB3 LYS 6 1HB LYS 6 1.587 8.388 1.258 40 HG2 LYS 6 2HG LYS 6 1.037 9.513 3.358 41 HG3 LYS 6 1HG LYS 6 2.532 8.912 4.063 42 HD2 LYS 6 2HD LYS 6 2.286 10.680 1.610 43 HD3 LYS 6 1HD LYS 6 2.687 11.262 3.224 44 HE2 LYS 6 2HE LYS 6 4.720 9.736 3.099 45 HE3 LYS 6 1HE LYS 6 4.268 9.510 1.401 46 HZ1 LYS 6 3HZ LYS 6 5.937 11.222 1.675 47 HZ2 LYS 6 1HZ LYS 6 4.871 12.140 2.602 48 HZ3 LYS 6 2HZ LYS 6 4.527 11.811 0.989 49 H TRP 7 H TRP 7 0.903 7.810 5.153 50 HA TRP 7 HA TRP 7 2.685 5.718 6.009 51 HB2 TRP 7 2HB TRP 7 1.553 8.058 7.534 52 HB3 TRP 7 1HB TRP 7 2.748 6.929 8.164 53 HD1 TRP 7 HD TRP 7 2.523 10.143 6.381 54 HE1 TRP 7 1HE TRP 7 4.819 10.811 5.420 55 HE3 TRP 7 3HE TRP 7 4.979 5.715 6.905 56 HZ2 TRP 7 2HZ TRP 7 7.297 9.657 4.949 57 HZ3 TRP 7 3HZ TRP 7 7.318 5.585 6.153 58 HH2 TRP 7 HH TRP 7 8.446 7.519 5.201 59 H GLU 8 H GLU 8 -0.097 5.022 5.359 60 HA GLU 8 HA GLU 8 -1.168 4.152 7.915 61 HB2 GLU 8 2HB GLU 8 -2.094 3.691 5.071 62 HB3 GLU 8 1HB GLU 8 -2.911 3.039 6.482 63 HG2 GLU 8 2HG GLU 8 -2.511 5.952 5.865 64 HG3 GLU 8 1HG GLU 8 -4.009 5.042 5.666 65 H TYR 9 H TYR 9 -2.023 1.550 7.320 66 HA TYR 9 HA TYR 9 0.449 0.200 7.731 67 HB2 TYR 9 2HB TYR 9 -2.378 -0.810 7.469 68 HB3 TYR 9 1HB TYR 9 -1.008 -1.889 7.638 69 HD1 TYR 9 2HD TYR 9 -3.002 0.725 9.335 70 HD2 TYR 9 1HD TYR 9 0.051 -2.210 9.735 71 HE1 TYR 9 2HE TYR 9 -3.150 0.912 11.766 72 HE2 TYR 9 1HE TYR 9 -0.091 -2.040 12.163 73 HH TYR 9 HH TYR 9 -0.818 -0.390 13.842 74 H CYS 10 H CYS 10 -1.541 0.806 5.022 75 HA CYS 10 HA CYS 10 -1.354 0.435 2.805 76 HB2 CYS 10 2HB CYS 10 1.003 1.063 2.943 77 HB3 CYS 10 1HB CYS 10 1.450 -0.550 3.488 78 H ILE 11 H ILE 11 -2.715 -1.022 2.089 79 HA ILE 11 HA ILE 11 -2.235 -3.798 2.889 80 HB ILE 11 HB ILE 11 -4.669 -4.168 2.751 81 HG12 ILE 11 2HG1 ILE 11 -4.847 -1.156 2.428 82 HG13 ILE 11 1HG1 ILE 11 -5.184 -2.355 1.183 83 HG21 ILE 11 1HG2 ILE 11 -3.832 -1.989 4.658 84 HG22 ILE 11 2HG2 ILE 11 -3.669 -3.728 4.908 85 HG23 ILE 11 3HG2 ILE 11 -5.270 -2.995 4.828 86 HD11 ILE 11 3HD1 ILE 11 -6.703 -2.031 3.750 87 HD12 ILE 11 1HD1 ILE 11 -7.052 -3.192 2.468 88 HD13 ILE 11 2HD1 ILE 11 -7.220 -1.461 2.161 89 H VAL 12 H VAL 12 -2.980 -5.400 1.398 90 HA VAL 12 HA VAL 12 -3.099 -4.407 -1.323 91 HB VAL 12 HB VAL 12 -1.841 -6.522 -2.036 92 HG11 VAL 12 1HG1 VAL 12 0.371 -5.564 -1.490 93 HG12 VAL 12 2HG1 VAL 12 -0.419 -4.452 -0.368 94 HG13 VAL 12 3HG1 VAL 12 -0.774 -4.370 -2.094 95 HG21 VAL 12 3HG2 VAL 12 -1.078 -6.553 0.885 96 HG22 VAL 12 1HG2 VAL 12 -0.373 -7.557 -0.383 97 HG23 VAL 12 2HG2 VAL 12 -2.070 -7.760 0.067 98 HA PRO 13 HA PRO 13 -6.977 -6.738 -0.801 99 HB2 PRO 13 2HB PRO 13 -7.483 -5.182 -3.281 100 HB3 PRO 13 1HB PRO 13 -8.500 -5.361 -1.846 101 HG2 PRO 13 2HG PRO 13 -7.215 -3.081 -2.289 102 HG3 PRO 13 1HG PRO 13 -7.318 -3.750 -0.651 103 HD2 PRO 13 2HD PRO 13 -5.016 -3.817 -2.571 104 HD3 PRO 13 1HD PRO 13 -5.023 -3.528 -0.822 105 H ILE 14 H ILE 14 -4.938 -6.143 -3.562 106 HA ILE 14 HA ILE 14 -5.431 -8.826 -4.592 107 HB ILE 14 HB ILE 14 -5.284 -6.242 -6.208 108 HG12 ILE 14 2HG1 ILE 14 -7.518 -6.622 -5.308 109 HG13 ILE 14 1HG1 ILE 14 -7.515 -6.826 -7.054 110 HG21 ILE 14 1HG2 ILE 14 -5.393 -9.038 -7.293 111 HG22 ILE 14 2HG2 ILE 14 -4.016 -7.939 -7.357 112 HG23 ILE 14 3HG2 ILE 14 -5.496 -7.551 -8.237 113 HD11 ILE 14 3HD1 ILE 14 -7.504 -9.260 -6.751 114 HD12 ILE 14 1HD1 ILE 14 -8.896 -8.502 -5.978 115 HD13 ILE 14 2HD1 ILE 14 -7.529 -9.034 -5.003 116 H LEU 15 H LEU 15 -3.476 -9.758 -5.361 117 HA LEU 15 HA LEU 15 -1.097 -8.678 -4.247 118 HB2 LEU 15 2HB LEU 15 -1.430 -10.913 -6.250 119 HB3 LEU 15 1HB LEU 15 0.037 -10.558 -5.366 120 HG LEU 15 HG LEU 15 -2.562 -11.547 -4.188 121 HD11 LEU 15 1HD1 LEU 15 -1.340 -13.246 -5.419 122 HD12 LEU 15 2HD1 LEU 15 -1.292 -13.561 -3.685 123 HD13 LEU 15 3HD1 LEU 15 0.117 -12.881 -4.496 124 HD21 LEU 15 3HD2 LEU 15 -1.334 -11.704 -2.075 125 HD22 LEU 15 1HD2 LEU 15 -1.424 -10.035 -2.633 126 HD23 LEU 15 2HD2 LEU 15 0.070 -10.951 -2.826 127 H GLY 16 H GLY 16 0.174 -7.210 -5.058 128 HA2 GLY 16 2HA GLY 16 1.440 -6.178 -6.758 129 HA3 GLY 16 1HA GLY 16 0.340 -6.860 -7.954 130 H PHE 17 H PHE 17 -1.518 -5.730 -5.510 131 HA PHE 17 HA PHE 17 -1.746 -3.059 -6.678 132 HB2 PHE 17 2HB PHE 17 -3.636 -4.410 -7.458 133 HB3 PHE 17 1HB PHE 17 -3.936 -4.933 -5.804 134 HD1 PHE 17 2HD PHE 17 -3.828 -1.850 -7.883 135 HD2 PHE 17 1HD PHE 17 -5.503 -3.828 -4.527 136 HE1 PHE 17 2HE PHE 17 -5.369 0.038 -7.547 137 HE2 PHE 17 1HE PHE 17 -7.052 -1.939 -4.178 138 HZ PHE 17 HZ PHE 17 -6.982 -0.007 -5.691 139 H VAL 18 H VAL 18 -1.151 -1.659 -5.172 140 HA VAL 18 HA VAL 18 -1.645 -2.389 -2.393 141 HB VAL 18 HB VAL 18 0.010 -0.676 -1.750 142 HG11 VAL 18 1HG1 VAL 18 1.054 -2.576 -3.836 143 HG12 VAL 18 2HG1 VAL 18 0.849 -2.899 -2.112 144 HG13 VAL 18 3HG1 VAL 18 2.045 -1.725 -2.654 145 HG21 VAL 18 3HG2 VAL 18 -0.302 0.914 -3.585 146 HG22 VAL 18 1HG2 VAL 18 0.425 -0.228 -4.714 147 HG23 VAL 18 2HG2 VAL 18 1.397 0.474 -3.421 148 H TYR 19 H TYR 19 -2.960 -1.273 -1.194 149 HA TYR 19 HA TYR 19 -4.587 0.676 -2.595 150 HB2 TYR 19 2HB TYR 19 -5.729 -1.216 -1.556 151 HB3 TYR 19 1HB TYR 19 -5.030 -0.776 -0.003 152 HD1 TYR 19 1HD TYR 19 -7.305 0.467 -2.657 153 HD2 TYR 19 2HD TYR 19 -6.172 0.697 1.434 154 HE1 TYR 19 1HE TYR 19 -9.254 1.844 -2.195 155 HE2 TYR 19 2HE TYR 19 -8.126 2.085 1.906 156 HH TYR 19 HH TYR 19 -9.719 3.507 0.766 157 H CYS 20 H CYS 20 -3.764 2.594 -2.450 158 HA CYS 20 HA CYS 20 -3.884 4.021 0.012 159 HB2 CYS 20 2HB CYS 20 -1.255 3.832 -1.550 160 HB3 CYS 20 1HB CYS 20 -1.606 5.096 -0.388 161 H CYS 21 H CYS 21 -3.576 6.357 -0.628 162 HA CYS 21 HA CYS 21 -5.024 6.953 -2.963 163 HB2 CYS 21 2HB CYS 21 -3.235 8.744 -1.297 164 HB3 CYS 21 1HB CYS 21 -4.270 9.327 -2.598 165 HA PRO 22 HA PRO 22 -2.164 6.608 -6.218 166 HB2 PRO 22 2HB PRO 22 -2.976 8.585 -7.915 167 HB3 PRO 22 1HB PRO 22 -3.861 7.075 -7.693 168 HG2 PRO 22 2HG PRO 22 -4.372 9.757 -6.491 169 HG3 PRO 22 1HG PRO 22 -5.530 8.578 -7.133 170 HD2 PRO 22 2HD PRO 22 -5.031 8.853 -4.454 171 HD3 PRO 22 1HD PRO 22 -5.493 7.306 -5.192 172 H GLY 23 H GLY 23 -0.230 7.325 -6.832 173 HA2 GLY 23 2HA GLY 23 1.423 8.992 -7.224 174 HA3 GLY 23 1HA GLY 23 0.551 10.047 -6.112 175 H LEU 24 H LEU 24 0.489 7.172 -4.657 176 HA LEU 24 HA LEU 24 2.915 7.793 -3.124 177 HB2 LEU 24 2HB LEU 24 0.615 6.088 -2.174 178 HB3 LEU 24 1HB LEU 24 1.905 6.801 -1.268 179 HG LEU 24 HG LEU 24 -0.205 8.464 -2.608 180 HD11 LEU 24 1HD1 LEU 24 -1.074 8.774 -0.331 181 HD12 LEU 24 2HD1 LEU 24 0.025 7.472 0.197 182 HD13 LEU 24 3HD1 LEU 24 -1.253 7.149 -0.984 183 HD21 LEU 24 3HD2 LEU 24 1.950 9.127 -0.594 184 HD22 LEU 24 1HD2 LEU 24 0.660 10.223 -1.105 185 HD23 LEU 24 2HD2 LEU 24 1.854 9.662 -2.269 186 H ILE 25 H ILE 25 4.127 6.032 -2.421 187 HA ILE 25 HA ILE 25 3.729 3.572 -3.973 188 HB ILE 25 HB ILE 25 6.223 3.327 -4.127 189 HG12 ILE 25 2HG1 ILE 25 6.264 6.246 -3.292 190 HG13 ILE 25 1HG1 ILE 25 6.825 4.904 -2.305 191 HG21 ILE 25 1HG2 ILE 25 4.958 4.043 -6.053 192 HG22 ILE 25 2HG2 ILE 25 6.513 4.873 -6.012 193 HG23 ILE 25 3HG2 ILE 25 5.047 5.723 -5.523 194 HD11 ILE 25 3HD1 ILE 25 8.001 5.778 -4.936 195 HD12 ILE 25 1HD1 ILE 25 8.576 4.437 -3.946 196 HD13 ILE 25 2HD1 ILE 25 8.679 6.090 -3.338 197 H CYS 26 H CYS 26 3.955 1.712 -2.873 198 HA CYS 26 HA CYS 26 4.388 1.963 -0.000 199 HB2 CYS 26 2HB CYS 26 2.404 0.711 -1.061 200 HB3 CYS 26 1HB CYS 26 3.569 -0.536 -1.502 201 H GLY 27 H GLY 27 6.458 2.329 0.110 202 HA2 GLY 27 2HA GLY 27 8.383 0.740 -1.343 203 HA3 GLY 27 1HA GLY 27 8.743 2.051 -0.230 204 HA PRO 28 HA PRO 28 10.139 -0.864 2.690 205 HB2 PRO 28 2HB PRO 28 9.326 0.284 5.071 206 HB3 PRO 28 1HB PRO 28 10.766 0.760 4.169 207 HG2 PRO 28 2HG PRO 28 8.076 2.046 4.248 208 HG3 PRO 28 1HG PRO 28 9.679 2.792 4.148 209 HD2 PRO 28 2HD PRO 28 8.033 2.550 2.010 210 HD3 PRO 28 1HD PRO 28 9.800 2.520 1.867 211 H PHE 29 H PHE 29 7.365 0.088 4.663 212 HA PHE 29 HA PHE 29 6.045 -2.438 3.936 213 HB2 PHE 29 2HB PHE 29 6.268 -1.319 6.755 214 HB3 PHE 29 1HB PHE 29 5.408 -2.771 6.282 215 HD1 PHE 29 1HD PHE 29 6.757 -4.714 5.363 216 HD2 PHE 29 2HD PHE 29 8.523 -1.387 7.337 217 HE1 PHE 29 1HE PHE 29 8.779 -6.048 5.803 218 HE2 PHE 29 2HE PHE 29 10.542 -2.709 7.776 219 HZ PHE 29 HZ PHE 29 10.674 -5.046 7.012 220 H VAL 30 H VAL 30 5.912 0.711 3.691 221 HA VAL 30 HA VAL 30 3.035 0.947 4.058 222 HB VAL 30 HB VAL 30 3.278 3.148 5.145 223 HG11 VAL 30 1HG1 VAL 30 4.004 2.426 7.360 224 HG12 VAL 30 2HG1 VAL 30 4.692 0.964 6.646 225 HG13 VAL 30 3HG1 VAL 30 2.952 1.242 6.586 226 HG21 VAL 30 3HG2 VAL 30 5.467 3.829 6.097 227 HG22 VAL 30 1HG2 VAL 30 5.454 3.809 4.331 228 HG23 VAL 30 2HG2 VAL 30 6.218 2.498 5.218 229 H CYS 31 H CYS 31 2.346 3.082 3.096 230 HA CYS 31 HA CYS 31 3.723 3.554 0.599 231 HB2 CYS 31 2HB CYS 31 1.138 4.530 1.788 232 HB3 CYS 31 1HB CYS 31 1.748 5.093 0.220 233 H VAL 32 H VAL 32 3.896 5.922 0.014 234 HA VAL 32 HA VAL 32 4.646 7.773 1.846 235 HB VAL 32 HB VAL 32 6.337 6.236 2.637 236 HG11 VAL 32 1HG1 VAL 32 6.652 4.838 0.644 237 HG12 VAL 32 2HG1 VAL 32 8.208 5.458 1.197 238 HG13 VAL 32 3HG1 VAL 32 7.414 6.188 -0.199 239 HG21 VAL 32 3HG2 VAL 32 8.304 7.595 2.430 240 HG22 VAL 32 1HG2 VAL 32 6.874 8.602 2.595 241 HG23 VAL 32 2HG2 VAL 32 7.641 8.402 1.009 Start of MODEL 10 1 H1 ARG 1 H ARG 1 -12.206 9.324 -5.027 2 HA ARG 1 HA ARG 1 -11.611 6.562 -5.409 3 HB2 ARG 1 2HB ARG 1 -9.423 8.636 -5.514 4 HB3 ARG 1 1HB ARG 1 -9.144 6.937 -5.188 5 HG2 ARG 1 2HG ARG 1 -10.333 8.065 -7.713 6 HG3 ARG 1 1HG ARG 1 -8.669 7.507 -7.511 7 HD2 ARG 1 2HD ARG 1 -11.169 5.830 -7.257 8 HD3 ARG 1 1HD ARG 1 -10.015 5.790 -8.585 9 HE ARG 1 HE ARG 1 -8.375 5.168 -6.746 10 HH11 ARG 1 1HH1 ARG 1 -11.747 4.082 -6.926 11 HH12 ARG 1 2HH1 ARG 1 -11.512 2.678 -6.011 12 HH21 ARG 1 1HH2 ARG 1 -8.046 3.190 -5.457 13 HH22 ARG 1 2HH2 ARG 1 -9.342 2.134 -5.189 14 H ASP 2 H ASP 2 -12.176 5.878 -3.485 15 HA ASP 2 HA ASP 2 -11.474 7.428 -1.128 16 HB2 ASP 2 2HB ASP 2 -13.734 6.421 -1.214 17 HB3 ASP 2 1HB ASP 2 -13.014 4.826 -1.386 18 H CYS 3 H CYS 3 -9.392 7.246 -0.862 19 HA CYS 3 HA CYS 3 -8.179 4.577 -0.924 20 HB2 CYS 3 2HB CYS 3 -6.123 5.816 -1.621 21 HB3 CYS 3 1HB CYS 3 -7.430 5.823 -2.805 22 H GLN 4 H GLN 4 -5.880 4.853 0.210 23 HA GLN 4 HA GLN 4 -6.468 6.012 2.842 24 HB2 GLN 4 2HB GLN 4 -5.489 4.135 3.881 25 HB3 GLN 4 1HB GLN 4 -6.407 3.499 2.520 26 HG2 GLN 4 2HG GLN 4 -4.500 3.168 1.219 27 HG3 GLN 4 1HG GLN 4 -3.451 3.945 2.416 28 HE21 GLN 4 1HE2 GLN 4 -3.239 1.324 1.327 29 HE22 GLN 4 2HE2 GLN 4 -3.432 0.223 2.660 30 H GLU 5 H GLU 5 -4.678 6.677 4.020 31 HA GLU 5 HA GLU 5 -3.034 8.383 2.581 32 HB2 GLU 5 2HB GLU 5 -3.374 7.600 5.402 33 HB3 GLU 5 1HB GLU 5 -2.043 8.644 4.906 34 HG2 GLU 5 2HG GLU 5 -4.791 9.109 4.042 35 HG3 GLU 5 1HG GLU 5 -4.271 9.726 5.616 36 H LYS 6 H LYS 6 -0.805 8.612 3.118 37 HA LYS 6 HA LYS 6 0.560 6.356 2.093 38 HB2 LYS 6 2HB LYS 6 2.632 7.840 2.283 39 HB3 LYS 6 1HB LYS 6 1.343 8.404 1.229 40 HG2 LYS 6 2HG LYS 6 0.520 9.695 3.061 41 HG3 LYS 6 1HG LYS 6 1.989 9.389 4.000 42 HD2 LYS 6 2HD LYS 6 1.768 10.788 1.313 43 HD3 LYS 6 1HD LYS 6 1.987 11.610 2.853 44 HE2 LYS 6 2HE LYS 6 4.176 10.349 3.065 45 HE3 LYS 6 1HE LYS 6 3.892 9.807 1.406 46 HZ1 LYS 6 3HZ LYS 6 5.332 11.757 1.525 47 HZ2 LYS 6 1HZ LYS 6 4.086 12.646 2.207 48 HZ3 LYS 6 2HZ LYS 6 3.949 12.052 0.632 49 H TRP 7 H TRP 7 0.740 8.098 5.160 50 HA TRP 7 HA TRP 7 2.627 6.185 6.180 51 HB2 TRP 7 2HB TRP 7 1.391 8.596 7.498 52 HB3 TRP 7 1HB TRP 7 2.662 7.599 8.203 53 HD1 TRP 7 HD TRP 7 2.253 10.642 6.216 54 HE1 TRP 7 1HE TRP 7 4.457 11.304 5.066 55 HE3 TRP 7 3HE TRP 7 4.884 6.306 6.837 56 HZ2 TRP 7 2HZ TRP 7 6.919 10.190 4.509 57 HZ3 TRP 7 3HZ TRP 7 7.186 6.210 5.922 58 HH2 TRP 7 HH TRP 7 8.161 8.105 4.796 59 H GLU 8 H GLU 8 0.021 5.140 5.582 60 HA GLU 8 HA GLU 8 -1.131 4.463 8.170 61 HB2 GLU 8 2HB GLU 8 -1.737 3.456 5.369 62 HB3 GLU 8 1HB GLU 8 -2.635 3.032 6.818 63 HG2 GLU 8 2HG GLU 8 -2.394 5.776 5.649 64 HG3 GLU 8 1HG GLU 8 -3.788 4.709 5.505 65 H TYR 9 H TYR 9 -1.626 1.642 7.423 66 HA TYR 9 HA TYR 9 1.082 0.651 7.856 67 HB2 TYR 9 2HB TYR 9 -1.616 -0.661 8.235 68 HB3 TYR 9 1HB TYR 9 -0.093 -1.536 8.372 69 HD1 TYR 9 1HD TYR 9 -2.127 1.175 9.850 70 HD2 TYR 9 2HD TYR 9 1.260 -1.353 10.316 71 HE1 TYR 9 1HE TYR 9 -1.913 1.901 12.166 72 HE2 TYR 9 2HE TYR 9 1.483 -0.637 12.638 73 HH TYR 9 HH TYR 9 -0.952 1.140 14.251 74 H CYS 10 H CYS 10 -1.230 1.022 5.529 75 HA CYS 10 HA CYS 10 -1.291 0.707 3.338 76 HB2 CYS 10 2HB CYS 10 1.082 1.133 3.248 77 HB3 CYS 10 1HB CYS 10 1.456 -0.543 3.654 78 H ILE 11 H ILE 11 -2.042 -0.834 1.829 79 HA ILE 11 HA ILE 11 -2.647 -3.408 3.110 80 HB ILE 11 HB ILE 11 -4.339 -1.764 1.201 81 HG12 ILE 11 2HG1 ILE 11 -4.860 -2.635 4.051 82 HG13 ILE 11 1HG1 ILE 11 -4.376 -1.019 3.563 83 HG21 ILE 11 1HG2 ILE 11 -6.051 -3.525 1.381 84 HG22 ILE 11 2HG2 ILE 11 -4.918 -4.514 2.300 85 HG23 ILE 11 3HG2 ILE 11 -4.572 -4.113 0.618 86 HD11 ILE 11 3HD1 ILE 11 -6.478 -0.790 2.319 87 HD12 ILE 11 1HD1 ILE 11 -6.748 -1.123 4.030 88 HD13 ILE 11 2HD1 ILE 11 -6.945 -2.409 2.839 89 H VAL 12 H VAL 12 -2.137 -5.196 1.985 90 HA VAL 12 HA VAL 12 -1.375 -4.872 -0.786 91 HB VAL 12 HB VAL 12 0.721 -4.645 0.341 92 HG11 VAL 12 1HG1 VAL 12 0.083 -7.147 1.878 93 HG12 VAL 12 2HG1 VAL 12 0.162 -5.504 2.516 94 HG13 VAL 12 3HG1 VAL 12 1.624 -6.289 1.915 95 HG21 VAL 12 3HG2 VAL 12 2.002 -6.595 -0.453 96 HG22 VAL 12 1HG2 VAL 12 0.830 -6.032 -1.646 97 HG23 VAL 12 2HG2 VAL 12 0.490 -7.469 -0.687 98 HA PRO 13 HA PRO 13 -4.128 -8.512 -0.700 99 HB2 PRO 13 2HB PRO 13 -4.122 -7.886 -3.602 100 HB3 PRO 13 1HB PRO 13 -5.498 -8.111 -2.517 101 HG2 PRO 13 2HG PRO 13 -4.862 -5.682 -3.410 102 HG3 PRO 13 1HG PRO 13 -5.414 -5.924 -1.741 103 HD2 PRO 13 2HD PRO 13 -2.626 -5.534 -2.773 104 HD3 PRO 13 1HD PRO 13 -3.410 -4.825 -1.343 105 H ILE 14 H ILE 14 -1.822 -7.756 -3.273 106 HA ILE 14 HA ILE 14 -0.537 -10.323 -2.894 107 HB ILE 14 HB ILE 14 -0.188 -10.535 -5.370 108 HG12 ILE 14 2HG1 ILE 14 -2.303 -8.368 -5.577 109 HG13 ILE 14 1HG1 ILE 14 -0.600 -8.205 -5.989 110 HG21 ILE 14 1HG2 ILE 14 -3.065 -10.648 -4.493 111 HG22 ILE 14 2HG2 ILE 14 -1.859 -11.929 -4.350 112 HG23 ILE 14 3HG2 ILE 14 -2.415 -11.415 -5.940 113 HD11 ILE 14 3HD1 ILE 14 -2.576 -10.007 -7.370 114 HD12 ILE 14 1HD1 ILE 14 -0.877 -9.817 -7.797 115 HD13 ILE 14 2HD1 ILE 14 -1.988 -8.458 -7.974 116 H LEU 15 H LEU 15 1.695 -10.220 -3.480 117 HA LEU 15 HA LEU 15 2.863 -7.731 -2.826 118 HB2 LEU 15 2HB LEU 15 3.780 -10.084 -2.413 119 HB3 LEU 15 1HB LEU 15 4.234 -10.113 -4.097 120 HG LEU 15 HG LEU 15 6.132 -9.665 -2.575 121 HD11 LEU 15 1HD1 LEU 15 5.527 -7.333 -4.369 122 HD12 LEU 15 2HD1 LEU 15 6.297 -8.844 -4.847 123 HD13 LEU 15 3HD1 LEU 15 7.110 -7.759 -3.717 124 HD21 LEU 15 3HD2 LEU 15 4.699 -7.097 -1.943 125 HD22 LEU 15 1HD2 LEU 15 6.322 -7.537 -1.421 126 HD23 LEU 15 2HD2 LEU 15 4.931 -8.456 -0.843 127 H GLY 16 H GLY 16 3.487 -6.100 -4.122 128 HA2 GLY 16 2HA GLY 16 4.427 -5.234 -6.126 129 HA3 GLY 16 1HA GLY 16 3.760 -6.612 -6.995 130 H PHE 17 H PHE 17 1.496 -5.642 -4.878 131 HA PHE 17 HA PHE 17 0.131 -3.971 -6.865 132 HB2 PHE 17 2HB PHE 17 -0.862 -6.211 -6.307 133 HB3 PHE 17 1HB PHE 17 -1.040 -5.670 -4.646 134 HD1 PHE 17 2HD PHE 17 -2.643 -3.776 -4.166 135 HD2 PHE 17 1HD PHE 17 -2.393 -5.690 -7.958 136 HE1 PHE 17 2HE PHE 17 -4.862 -2.903 -4.752 137 HE2 PHE 17 1HE PHE 17 -4.599 -4.822 -8.544 138 HZ PHE 17 HZ PHE 17 -5.837 -3.426 -6.952 139 H VAL 18 H VAL 18 -0.205 -1.922 -6.210 140 HA VAL 18 HA VAL 18 0.359 -1.292 -3.423 141 HB VAL 18 HB VAL 18 0.405 0.539 -5.841 142 HG11 VAL 18 1HG1 VAL 18 1.443 2.194 -4.355 143 HG12 VAL 18 2HG1 VAL 18 1.234 1.095 -2.992 144 HG13 VAL 18 3HG1 VAL 18 -0.179 1.759 -3.810 145 HG21 VAL 18 3HG2 VAL 18 2.687 -0.607 -4.231 146 HG22 VAL 18 1HG2 VAL 18 2.841 0.560 -5.544 147 HG23 VAL 18 2HG2 VAL 18 2.245 -1.068 -5.874 148 H TYR 19 H TYR 19 -1.273 -0.593 -2.178 149 HA TYR 19 HA TYR 19 -3.460 0.806 -3.492 150 HB2 TYR 19 2HB TYR 19 -4.470 -1.324 -2.940 151 HB3 TYR 19 1HB TYR 19 -3.850 -1.240 -1.289 152 HD1 TYR 19 2HD TYR 19 -6.229 0.409 -3.651 153 HD2 TYR 19 1HD TYR 19 -5.060 -0.094 0.411 154 HE1 TYR 19 2HE TYR 19 -8.217 1.648 -2.917 155 HE2 TYR 19 1HE TYR 19 -7.037 1.143 1.145 156 HH TYR 19 HH TYR 19 -9.607 1.904 -0.923 157 H CYS 20 H CYS 20 -3.120 2.746 -2.984 158 HA CYS 20 HA CYS 20 -3.701 3.737 -0.411 159 HB2 CYS 20 2HB CYS 20 -0.896 4.121 -1.560 160 HB3 CYS 20 1HB CYS 20 -1.614 5.252 -0.426 161 H CYS 21 H CYS 21 -3.433 6.277 -0.767 162 HA CYS 21 HA CYS 21 -4.912 6.971 -3.034 163 HB2 CYS 21 2HB CYS 21 -3.177 8.602 -1.209 164 HB3 CYS 21 1HB CYS 21 -4.158 9.337 -2.490 165 HA PRO 22 HA PRO 22 -2.237 6.997 -6.453 166 HB2 PRO 22 2HB PRO 22 -2.937 9.295 -7.778 167 HB3 PRO 22 1HB PRO 22 -3.899 7.813 -7.803 168 HG2 PRO 22 2HG PRO 22 -4.259 10.273 -6.144 169 HG3 PRO 22 1HG PRO 22 -5.484 9.286 -6.962 170 HD2 PRO 22 2HD PRO 22 -5.016 9.087 -4.319 171 HD3 PRO 22 1HD PRO 22 -5.475 7.675 -5.285 172 H GLY 23 H GLY 23 -0.222 7.574 -6.928 173 HA2 GLY 23 2HA GLY 23 1.552 9.120 -7.219 174 HA3 GLY 23 1HA GLY 23 0.765 10.191 -6.065 175 H LEU 24 H LEU 24 0.407 7.439 -4.538 176 HA LEU 24 HA LEU 24 2.889 7.848 -3.034 177 HB2 LEU 24 2HB LEU 24 0.623 6.100 -2.083 178 HB3 LEU 24 1HB LEU 24 1.886 6.872 -1.222 179 HG LEU 24 HG LEU 24 -0.252 8.500 -2.537 180 HD11 LEU 24 1HD1 LEU 24 -0.057 7.423 0.244 181 HD12 LEU 24 2HD1 LEU 24 -1.358 7.201 -0.940 182 HD13 LEU 24 3HD1 LEU 24 -1.088 8.782 -0.209 183 HD21 LEU 24 3HD2 LEU 24 0.595 10.232 -0.967 184 HD22 LEU 24 1HD2 LEU 24 1.779 9.712 -2.167 185 HD23 LEU 24 2HD2 LEU 24 1.902 9.126 -0.520 186 H ILE 25 H ILE 25 4.026 6.024 -2.302 187 HA ILE 25 HA ILE 25 3.557 3.598 -3.873 188 HB ILE 25 HB ILE 25 6.000 3.192 -3.952 189 HG12 ILE 25 2HG1 ILE 25 6.291 6.102 -3.153 190 HG13 ILE 25 1HG1 ILE 25 6.657 4.732 -2.113 191 HG21 ILE 25 1HG2 ILE 25 4.878 3.999 -5.920 192 HG22 ILE 25 2HG2 ILE 25 6.480 4.735 -5.821 193 HG23 ILE 25 3HG2 ILE 25 5.050 5.667 -5.377 194 HD11 ILE 25 3HD1 ILE 25 8.682 5.647 -3.055 195 HD12 ILE 25 1HD1 ILE 25 8.047 5.437 -4.689 196 HD13 ILE 25 2HD1 ILE 25 8.399 4.028 -3.690 197 H CYS 26 H CYS 26 3.436 1.824 -2.727 198 HA CYS 26 HA CYS 26 4.062 1.948 0.100 199 HB2 CYS 26 2HB CYS 26 1.986 0.901 -0.848 200 HB3 CYS 26 1HB CYS 26 2.993 -0.395 -1.505 201 H GLY 27 H GLY 27 6.142 1.952 0.342 202 HA2 GLY 27 2HA GLY 27 7.797 0.341 -1.453 203 HA3 GLY 27 1HA GLY 27 8.352 1.661 -0.438 204 HA PRO 28 HA PRO 28 9.998 -1.223 2.349 205 HB2 PRO 28 2HB PRO 28 9.634 -0.003 4.770 206 HB3 PRO 28 1HB PRO 28 10.863 0.489 3.602 207 HG2 PRO 28 2HG PRO 28 8.183 1.688 4.156 208 HG3 PRO 28 1HG PRO 28 9.722 2.494 3.810 209 HD2 PRO 28 2HD PRO 28 7.767 2.202 1.949 210 HD3 PRO 28 1HD PRO 28 9.488 2.224 1.532 211 H PHE 29 H PHE 29 6.843 -0.030 3.276 212 HA PHE 29 HA PHE 29 5.687 -2.522 3.759 213 HB2 PHE 29 2HB PHE 29 7.105 -2.502 5.786 214 HB3 PHE 29 1HB PHE 29 6.498 -0.909 6.206 215 HD1 PHE 29 1HD PHE 29 5.639 -4.455 5.928 216 HD2 PHE 29 2HD PHE 29 4.449 -0.649 7.301 217 HE1 PHE 29 1HE PHE 29 3.855 -5.516 7.265 218 HE2 PHE 29 2HE PHE 29 2.649 -1.675 8.653 219 HZ PHE 29 HZ PHE 29 2.357 -4.122 8.631 220 H VAL 30 H VAL 30 5.932 0.902 4.443 221 HA VAL 30 HA VAL 30 3.026 1.175 4.288 222 HB VAL 30 HB VAL 30 3.297 3.320 5.386 223 HG11 VAL 30 1HG1 VAL 30 3.144 1.371 6.829 224 HG12 VAL 30 2HG1 VAL 30 4.158 2.628 7.545 225 HG13 VAL 30 3HG1 VAL 30 4.905 1.219 6.796 226 HG21 VAL 30 3HG2 VAL 30 6.267 2.782 5.295 227 HG22 VAL 30 1HG2 VAL 30 5.505 4.098 6.195 228 HG23 VAL 30 2HG2 VAL 30 5.397 4.050 4.438 229 H CYS 31 H CYS 31 2.481 3.416 3.361 230 HA CYS 31 HA CYS 31 3.800 3.689 0.797 231 HB2 CYS 31 2HB CYS 31 1.212 4.623 1.954 232 HB3 CYS 31 1HB CYS 31 1.819 5.287 0.422 233 H VAL 32 H VAL 32 3.792 6.059 0.114 234 HA VAL 32 HA VAL 32 4.483 8.079 1.830 235 HB VAL 32 HB VAL 32 6.383 6.741 2.532 236 HG11 VAL 32 1HG1 VAL 32 7.191 6.659 -0.392 237 HG12 VAL 32 2HG1 VAL 32 6.652 5.285 0.574 238 HG13 VAL 32 3HG1 VAL 32 8.185 6.077 0.944 239 HG21 VAL 32 3HG2 VAL 32 8.228 8.256 2.030 240 HG22 VAL 32 1HG2 VAL 32 6.741 9.112 2.410 241 HG23 VAL 32 2HG2 VAL 32 7.278 8.992 0.727 Start of MODEL 11 1 H1 ARG 1 H ARG 1 -14.521 8.972 -3.811 2 HA ARG 1 HA ARG 1 -13.692 6.331 -4.270 3 HB2 ARG 1 2HB ARG 1 -11.882 8.509 -5.262 4 HB3 ARG 1 1HB ARG 1 -11.371 6.881 -4.891 5 HG2 ARG 1 2HG ARG 1 -13.417 7.609 -6.995 6 HG3 ARG 1 1HG ARG 1 -11.721 7.240 -7.319 7 HD2 ARG 1 2HD ARG 1 -13.772 5.376 -6.122 8 HD3 ARG 1 1HD ARG 1 -13.077 5.287 -7.739 9 HE ARG 1 HE ARG 1 -10.929 5.247 -6.067 10 HH11 ARG 1 1HH1 ARG 1 -13.763 3.196 -6.463 11 HH12 ARG 1 2HH1 ARG 1 -12.984 1.809 -5.854 12 HH21 ARG 1 1HH2 ARG 1 -9.905 3.396 -5.256 13 HH22 ARG 1 2HH2 ARG 1 -10.740 1.904 -5.181 14 H ASP 2 H ASP 2 -12.696 5.607 -2.561 15 HA ASP 2 HA ASP 2 -11.658 7.646 -0.815 16 HB2 ASP 2 2HB ASP 2 -12.315 6.467 1.116 17 HB3 ASP 2 1HB ASP 2 -13.713 6.495 0.070 18 H CYS 3 H CYS 3 -9.747 7.438 -0.148 19 HA CYS 3 HA CYS 3 -8.274 4.924 -0.466 20 HB2 CYS 3 2HB CYS 3 -6.343 6.118 -1.408 21 HB3 CYS 3 1HB CYS 3 -7.738 6.225 -2.471 22 H GLN 4 H GLN 4 -5.981 5.280 0.585 23 HA GLN 4 HA GLN 4 -6.489 6.640 3.151 24 HB2 GLN 4 2HB GLN 4 -5.494 4.788 4.319 25 HB3 GLN 4 1HB GLN 4 -6.693 4.161 3.200 26 HG2 GLN 4 2HG GLN 4 -5.047 3.512 1.644 27 HG3 GLN 4 1HG GLN 4 -3.764 4.166 2.663 28 HE21 GLN 4 1HE2 GLN 4 -4.206 1.495 1.684 29 HE22 GLN 4 2HE2 GLN 4 -4.272 0.465 3.055 30 H GLU 5 H GLU 5 -4.568 7.161 4.276 31 HA GLU 5 HA GLU 5 -2.928 8.703 2.597 32 HB2 GLU 5 2HB GLU 5 -2.858 8.062 5.482 33 HB3 GLU 5 1HB GLU 5 -1.647 9.138 4.762 34 HG2 GLU 5 2HG GLU 5 -3.596 10.551 4.029 35 HG3 GLU 5 1HG GLU 5 -4.624 9.499 5.007 36 H LYS 6 H LYS 6 -0.536 8.734 3.033 37 HA LYS 6 HA LYS 6 0.464 6.414 1.828 38 HB2 LYS 6 2HB LYS 6 2.641 7.611 1.800 39 HB3 LYS 6 1HB LYS 6 1.328 8.635 1.235 40 HG2 LYS 6 2HG LYS 6 1.245 9.183 3.768 41 HG3 LYS 6 1HG LYS 6 2.945 8.809 3.682 42 HD2 LYS 6 2HD LYS 6 1.611 10.818 1.856 43 HD3 LYS 6 1HD LYS 6 2.356 11.261 3.382 44 HE2 LYS 6 2HE LYS 6 4.482 10.285 2.517 45 HE3 LYS 6 1HE LYS 6 3.680 10.087 0.958 46 HZ1 LYS 6 3HZ LYS 6 3.257 12.511 0.953 47 HZ2 LYS 6 1HZ LYS 6 4.905 12.147 1.021 48 HZ3 LYS 6 2HZ LYS 6 4.104 12.631 2.406 49 H TRP 7 H TRP 7 0.933 7.790 5.067 50 HA TRP 7 HA TRP 7 2.755 5.681 5.796 51 HB2 TRP 7 2HB TRP 7 1.584 7.903 7.468 52 HB3 TRP 7 1HB TRP 7 2.887 6.831 7.970 53 HD1 TRP 7 HD TRP 7 2.332 10.121 6.423 54 HE1 TRP 7 1HE TRP 7 4.491 11.042 5.387 55 HE3 TRP 7 3HE TRP 7 5.150 5.875 6.464 56 HZ2 TRP 7 2HZ TRP 7 7.023 10.123 4.676 57 HZ3 TRP 7 3HZ TRP 7 7.445 5.989 5.564 58 HH2 TRP 7 HH TRP 7 8.344 8.085 4.688 59 H GLU 8 H GLU 8 -0.072 5.059 5.189 60 HA GLU 8 HA GLU 8 -1.182 4.091 7.691 61 HB2 GLU 8 2HB GLU 8 -2.125 3.923 4.833 62 HB3 GLU 8 1HB GLU 8 -2.990 3.226 6.195 63 HG2 GLU 8 2HG GLU 8 -2.328 6.129 5.879 64 HG3 GLU 8 1HG GLU 8 -3.881 5.394 5.477 65 H TYR 9 H TYR 9 -2.220 1.692 7.035 66 HA TYR 9 HA TYR 9 0.006 -0.012 7.192 67 HB2 TYR 9 2HB TYR 9 -2.910 -0.657 6.757 68 HB3 TYR 9 1HB TYR 9 -1.666 -1.865 7.058 69 HD1 TYR 9 1HD TYR 9 -0.347 -1.692 9.238 70 HD2 TYR 9 2HD TYR 9 -3.980 0.431 8.567 71 HE1 TYR 9 1HE TYR 9 -0.618 -1.407 11.649 72 HE2 TYR 9 2HE TYR 9 -4.254 0.726 10.987 73 HH TYR 9 HH TYR 9 -1.755 0.105 13.187 74 H CYS 10 H CYS 10 -1.360 1.403 4.529 75 HA CYS 10 HA CYS 10 -0.966 1.328 2.330 76 HB2 CYS 10 2HB CYS 10 1.319 1.224 2.691 77 HB3 CYS 10 1HB CYS 10 1.298 -0.459 3.214 78 H ILE 11 H ILE 11 -0.276 -2.118 2.892 79 HA ILE 11 HA ILE 11 -2.460 -2.677 1.057 80 HB ILE 11 HB ILE 11 -0.371 -4.548 2.224 81 HG12 ILE 11 2HG1 ILE 11 0.689 -2.940 0.705 82 HG13 ILE 11 1HG1 ILE 11 0.678 -4.545 -0.008 83 HG21 ILE 11 1HG2 ILE 11 -2.427 -4.976 0.069 84 HG22 ILE 11 2HG2 ILE 11 -2.377 -5.752 1.654 85 HG23 ILE 11 3HG2 ILE 11 -1.134 -6.104 0.450 86 HD11 ILE 11 3HD1 ILE 11 -1.227 -3.891 -1.410 87 HD12 ILE 11 1HD1 ILE 11 0.173 -2.846 -1.661 88 HD13 ILE 11 2HD1 ILE 11 -1.186 -2.277 -0.696 89 H VAL 12 H VAL 12 -4.248 -3.617 1.793 90 HA VAL 12 HA VAL 12 -4.477 -3.632 4.658 91 HB VAL 12 HB VAL 12 -6.966 -3.760 4.220 92 HG11 VAL 12 1HG1 VAL 12 -5.416 -1.456 3.028 93 HG12 VAL 12 2HG1 VAL 12 -5.818 -1.664 4.732 94 HG13 VAL 12 3HG1 VAL 12 -7.097 -1.391 3.552 95 HG21 VAL 12 3HG2 VAL 12 -7.725 -3.157 1.937 96 HG22 VAL 12 1HG2 VAL 12 -6.888 -4.711 1.955 97 HG23 VAL 12 2HG2 VAL 12 -6.064 -3.269 1.369 98 HA PRO 13 HA PRO 13 -4.575 -8.060 4.698 99 HB2 PRO 13 2HB PRO 13 -4.723 -8.368 7.366 100 HB3 PRO 13 1HB PRO 13 -3.228 -7.843 6.586 101 HG2 PRO 13 2HG PRO 13 -5.268 -6.227 8.052 102 HG3 PRO 13 1HG PRO 13 -3.504 -6.083 8.062 103 HD2 PRO 13 2HD PRO 13 -5.195 -4.485 6.580 104 HD3 PRO 13 1HD PRO 13 -3.485 -4.769 6.197 105 H ILE 14 H ILE 14 -6.938 -5.861 5.479 106 HA ILE 14 HA ILE 14 -8.950 -7.935 5.993 107 HB ILE 14 HB ILE 14 -9.316 -4.947 6.348 108 HG12 ILE 14 2HG1 ILE 14 -8.666 -6.940 8.527 109 HG13 ILE 14 1HG1 ILE 14 -7.501 -5.805 7.848 110 HG21 ILE 14 1HG2 ILE 14 -11.213 -5.660 7.767 111 HG22 ILE 14 2HG2 ILE 14 -10.831 -7.341 7.414 112 HG23 ILE 14 3HG2 ILE 14 -11.361 -6.269 6.116 113 HD11 ILE 14 3HD1 ILE 14 -8.865 -3.946 8.627 114 HD12 ILE 14 1HD1 ILE 14 -8.403 -5.011 9.953 115 HD13 ILE 14 2HD1 ILE 14 -10.036 -5.084 9.290 116 H LEU 15 H LEU 15 -10.209 -8.331 4.286 117 HA LEU 15 HA LEU 15 -9.889 -6.800 1.890 118 HB2 LEU 15 2HB LEU 15 -11.790 -9.063 2.495 119 HB3 LEU 15 1HB LEU 15 -11.492 -8.387 0.907 120 HG LEU 15 HG LEU 15 -9.506 -9.883 2.608 121 HD11 LEU 15 1HD1 LEU 15 -10.884 -10.639 0.042 122 HD12 LEU 15 2HD1 LEU 15 -11.181 -11.330 1.636 123 HD13 LEU 15 3HD1 LEU 15 -9.623 -11.571 0.846 124 HD21 LEU 15 3HD2 LEU 15 -8.351 -8.168 1.338 125 HD22 LEU 15 1HD2 LEU 15 -9.183 -8.664 -0.138 126 HD23 LEU 15 2HD2 LEU 15 -8.030 -9.749 0.633 127 H GLY 16 H GLY 16 -11.436 -5.586 0.843 128 HA2 GLY 16 2HA GLY 16 -13.623 -4.626 0.710 129 HA3 GLY 16 1HA GLY 16 -13.780 -4.884 2.446 130 H PHE 17 H PHE 17 -10.757 -3.853 1.802 131 HA PHE 17 HA PHE 17 -11.466 -1.054 2.276 132 HB2 PHE 17 2HB PHE 17 -9.167 -2.682 3.331 133 HB3 PHE 17 1HB PHE 17 -9.099 -0.927 3.277 134 HD1 PHE 17 2HD PHE 17 -10.582 0.401 4.675 135 HD2 PHE 17 1HD PHE 17 -10.486 -3.835 4.927 136 HE1 PHE 17 2HE PHE 17 -11.721 0.516 6.845 137 HE2 PHE 17 1HE PHE 17 -11.625 -3.724 7.117 138 HZ PHE 17 HZ PHE 17 -12.238 -1.554 8.070 139 H VAL 18 H VAL 18 -9.397 0.347 1.663 140 HA VAL 18 HA VAL 18 -8.873 -0.414 -1.109 141 HB VAL 18 HB VAL 18 -8.651 2.047 -1.566 142 HG11 VAL 18 1HG1 VAL 18 -11.289 1.079 -0.497 143 HG12 VAL 18 2HG1 VAL 18 -10.674 0.834 -2.132 144 HG13 VAL 18 3HG1 VAL 18 -11.071 2.462 -1.570 145 HG21 VAL 18 3HG2 VAL 18 -9.701 3.584 0.072 146 HG22 VAL 18 1HG2 VAL 18 -8.218 2.845 0.688 147 HG23 VAL 18 2HG2 VAL 18 -9.790 2.253 1.219 148 H TYR 19 H TYR 19 -7.066 1.172 -1.919 149 HA TYR 19 HA TYR 19 -4.653 0.362 -0.514 150 HB2 TYR 19 2HB TYR 19 -3.550 0.863 -2.698 151 HB3 TYR 19 1HB TYR 19 -4.815 -0.348 -2.842 152 HD1 TYR 19 2HD TYR 19 -7.002 0.292 -3.910 153 HD2 TYR 19 1HD TYR 19 -3.688 2.935 -3.874 154 HE1 TYR 19 2HE TYR 19 -8.049 1.614 -5.684 155 HE2 TYR 19 1HE TYR 19 -4.719 4.266 -5.646 156 HH TYR 19 HH TYR 19 -7.918 4.040 -6.517 157 H CYS 20 H CYS 20 -2.814 2.000 -0.586 158 HA CYS 20 HA CYS 20 -3.707 4.459 0.504 159 HB2 CYS 20 2HB CYS 20 -1.335 5.143 0.506 160 HB3 CYS 20 1HB CYS 20 -1.490 3.501 1.114 161 H CYS 21 H CYS 21 -3.749 6.453 -0.405 162 HA CYS 21 HA CYS 21 -4.911 6.794 -2.809 163 HB2 CYS 21 2HB CYS 21 -3.169 8.767 -1.364 164 HB3 CYS 21 1HB CYS 21 -4.317 9.174 -2.667 165 HA PRO 22 HA PRO 22 -2.138 6.229 -6.103 166 HB2 PRO 22 2HB PRO 22 -3.175 8.014 -7.914 167 HB3 PRO 22 1HB PRO 22 -3.879 6.434 -7.564 168 HG2 PRO 22 2HG PRO 22 -4.682 9.117 -6.553 169 HG3 PRO 22 1HG PRO 22 -5.697 7.744 -7.028 170 HD2 PRO 22 2HD PRO 22 -5.123 8.375 -4.428 171 HD3 PRO 22 1HD PRO 22 -5.450 6.715 -4.958 172 H GLY 23 H GLY 23 -0.245 6.988 -6.776 173 HA2 GLY 23 2HA GLY 23 1.195 8.847 -7.443 174 HA3 GLY 23 1HA GLY 23 0.408 9.797 -6.177 175 H LEU 24 H LEU 24 0.387 7.371 -4.486 176 HA LEU 24 HA LEU 24 2.978 7.882 -3.272 177 HB2 LEU 24 2HB LEU 24 0.821 6.116 -2.133 178 HB3 LEU 24 1HB LEU 24 2.114 6.933 -1.349 179 HG LEU 24 HG LEU 24 -0.073 8.497 -2.668 180 HD11 LEU 24 1HD1 LEU 24 -0.919 8.835 -0.359 181 HD12 LEU 24 2HD1 LEU 24 0.134 7.472 0.120 182 HD13 LEU 24 3HD1 LEU 24 -1.154 7.240 -1.063 183 HD21 LEU 24 3HD2 LEU 24 0.772 10.279 -1.170 184 HD22 LEU 24 1HD2 LEU 24 1.954 9.724 -2.357 185 HD23 LEU 24 2HD2 LEU 24 2.077 9.196 -0.676 186 H ILE 25 H ILE 25 4.221 6.159 -2.548 187 HA ILE 25 HA ILE 25 3.819 3.671 -4.035 188 HB ILE 25 HB ILE 25 6.299 3.432 -4.236 189 HG12 ILE 25 2HG1 ILE 25 6.355 6.366 -3.457 190 HG13 ILE 25 1HG1 ILE 25 6.942 5.039 -2.461 191 HG21 ILE 25 1HG2 ILE 25 6.548 4.961 -6.154 192 HG22 ILE 25 2HG2 ILE 25 5.083 5.802 -5.647 193 HG23 ILE 25 3HG2 ILE 25 5.000 4.115 -6.154 194 HD11 ILE 25 3HD1 ILE 25 8.640 4.539 -4.133 195 HD12 ILE 25 1HD1 ILE 25 8.766 6.205 -3.569 196 HD13 ILE 25 2HD1 ILE 25 8.043 5.858 -5.139 197 H CYS 26 H CYS 26 4.118 1.848 -2.924 198 HA CYS 26 HA CYS 26 4.487 2.130 -0.064 199 HB2 CYS 26 2HB CYS 26 2.680 0.802 -1.257 200 HB3 CYS 26 1HB CYS 26 3.928 -0.399 -1.611 201 H GLY 27 H GLY 27 6.518 2.346 0.439 202 HA2 GLY 27 2HA GLY 27 8.577 1.072 -1.144 203 HA3 GLY 27 1HA GLY 27 8.849 2.213 0.158 204 HA PRO 28 HA PRO 28 9.953 -1.219 2.641 205 HB2 PRO 28 2HB PRO 28 8.995 -0.100 5.120 206 HB3 PRO 28 1HB PRO 28 10.646 -0.130 4.513 207 HG2 PRO 28 2HG PRO 28 9.135 2.174 4.779 208 HG3 PRO 28 1HG PRO 28 10.523 1.999 3.695 209 HD2 PRO 28 2HD PRO 28 7.600 1.897 3.068 210 HD3 PRO 28 1HD PRO 28 8.930 2.553 2.110 211 H PHE 29 H PHE 29 7.088 -0.044 4.328 212 HA PHE 29 HA PHE 29 5.626 -2.439 3.533 213 HB2 PHE 29 2HB PHE 29 6.567 -2.914 5.780 214 HB3 PHE 29 1HB PHE 29 5.847 -1.422 6.372 215 HD1 PHE 29 1HD PHE 29 5.025 -4.754 4.985 216 HD2 PHE 29 2HD PHE 29 3.661 -1.372 7.172 217 HE1 PHE 29 1HE PHE 29 2.972 -5.970 5.580 218 HE2 PHE 29 2HE PHE 29 1.603 -2.580 7.771 219 HZ PHE 29 HZ PHE 29 1.257 -4.877 6.974 220 H VAL 30 H VAL 30 5.785 0.871 4.521 221 HA VAL 30 HA VAL 30 2.923 1.196 4.129 222 HB VAL 30 HB VAL 30 3.172 3.331 5.298 223 HG11 VAL 30 1HG1 VAL 30 4.443 1.054 6.808 224 HG12 VAL 30 2HG1 VAL 30 2.716 1.388 6.654 225 HG13 VAL 30 3HG1 VAL 30 3.757 2.510 7.533 226 HG21 VAL 30 3HG2 VAL 30 5.382 4.015 4.658 227 HG22 VAL 30 1HG2 VAL 30 6.095 2.607 5.451 228 HG23 VAL 30 2HG2 VAL 30 5.348 3.863 6.421 229 H CYS 31 H CYS 31 2.491 3.478 3.188 230 HA CYS 31 HA CYS 31 4.033 3.742 0.725 231 HB2 CYS 31 2HB CYS 31 1.362 4.776 1.609 232 HB3 CYS 31 1HB CYS 31 2.081 5.163 0.033 233 H VAL 32 H VAL 32 4.118 6.011 -0.003 234 HA VAL 32 HA VAL 32 4.627 8.124 1.752 235 HB VAL 32 HB VAL 32 6.551 6.812 2.516 236 HG11 VAL 32 1HG1 VAL 32 6.818 5.305 0.626 237 HG12 VAL 32 2HG1 VAL 32 8.347 6.115 0.969 238 HG13 VAL 32 3HG1 VAL 32 7.354 6.639 -0.391 239 HG21 VAL 32 3HG2 VAL 32 8.390 8.338 1.943 240 HG22 VAL 32 1HG2 VAL 32 6.898 9.198 2.324 241 HG23 VAL 32 2HG2 VAL 32 7.406 9.017 0.643 Start of MODEL 12 1 H1 ARG 1 H ARG 1 -11.207 11.062 -1.751 2 HA ARG 1 HA ARG 1 -11.883 9.392 -3.960 3 HB2 ARG 1 2HB ARG 1 -9.693 10.544 -4.669 4 HB3 ARG 1 1HB ARG 1 -9.005 9.791 -3.229 5 HG2 ARG 1 2HG ARG 1 -8.440 8.543 -5.258 6 HG3 ARG 1 1HG ARG 1 -9.415 7.586 -4.143 7 HD2 ARG 1 2HD ARG 1 -10.139 7.317 -6.484 8 HD3 ARG 1 1HD ARG 1 -11.395 8.005 -5.462 9 HE ARG 1 HE ARG 1 -9.705 9.762 -7.070 10 HH11 ARG 1 1HH1 ARG 1 -12.960 8.473 -6.332 11 HH12 ARG 1 2HH1 ARG 1 -13.752 9.564 -7.385 12 HH21 ARG 1 1HH2 ARG 1 -10.874 11.251 -8.520 13 HH22 ARG 1 2HH2 ARG 1 -12.563 11.140 -8.638 14 H ASP 2 H ASP 2 -11.984 7.400 -3.310 15 HA ASP 2 HA ASP 2 -11.780 7.010 -0.492 16 HB2 ASP 2 2HB ASP 2 -12.687 5.140 -2.685 17 HB3 ASP 2 1HB ASP 2 -12.627 4.717 -0.982 18 H CYS 3 H CYS 3 -9.587 7.285 -0.321 19 HA CYS 3 HA CYS 3 -8.132 4.846 -0.762 20 HB2 CYS 3 2HB CYS 3 -6.167 6.113 -1.582 21 HB3 CYS 3 1HB CYS 3 -7.520 6.148 -2.704 22 H GLN 4 H GLN 4 -5.943 5.118 0.407 23 HA GLN 4 HA GLN 4 -6.507 6.544 2.908 24 HB2 GLN 4 2HB GLN 4 -5.540 4.755 4.116 25 HB3 GLN 4 1HB GLN 4 -6.615 4.061 2.909 26 HG2 GLN 4 2HG GLN 4 -4.828 3.447 1.521 27 HG3 GLN 4 1HG GLN 4 -3.644 4.199 2.608 28 HE21 GLN 4 1HE2 GLN 4 -3.838 1.516 1.730 29 HE22 GLN 4 2HE2 GLN 4 -4.034 0.517 3.137 30 H GLU 5 H GLU 5 -4.684 7.138 4.086 31 HA GLU 5 HA GLU 5 -3.000 8.670 2.421 32 HB2 GLU 5 2HB GLU 5 -3.084 8.251 5.361 33 HB3 GLU 5 1HB GLU 5 -2.020 9.448 4.585 34 HG2 GLU 5 2HG GLU 5 -4.090 10.482 3.643 35 HG3 GLU 5 1HG GLU 5 -5.024 9.349 4.617 36 H LYS 6 H LYS 6 -0.613 8.824 3.209 37 HA LYS 6 HA LYS 6 0.525 6.502 2.034 38 HB2 LYS 6 2HB LYS 6 2.691 7.750 2.208 39 HB3 LYS 6 1HB LYS 6 1.424 8.594 1.331 40 HG2 LYS 6 2HG LYS 6 0.879 9.698 3.428 41 HG3 LYS 6 1HG LYS 6 2.392 9.129 4.123 42 HD2 LYS 6 2HD LYS 6 2.108 10.867 1.655 43 HD3 LYS 6 1HD LYS 6 2.479 11.487 3.259 44 HE2 LYS 6 2HE LYS 6 4.551 10.030 3.200 45 HE3 LYS 6 1HE LYS 6 4.136 9.709 1.510 46 HZ1 LYS 6 3HZ LYS 6 5.740 11.518 1.719 47 HZ2 LYS 6 1HZ LYS 6 4.630 12.407 2.614 48 HZ3 LYS 6 2HZ LYS 6 4.324 12.017 1.002 49 H TRP 7 H TRP 7 0.880 7.917 5.248 50 HA TRP 7 HA TRP 7 2.737 5.825 5.959 51 HB2 TRP 7 2HB TRP 7 1.619 8.090 7.611 52 HB3 TRP 7 1HB TRP 7 2.838 6.955 8.182 53 HD1 TRP 7 HD TRP 7 2.526 10.220 6.488 54 HE1 TRP 7 1HE TRP 7 4.780 10.974 5.514 55 HE3 TRP 7 3HE TRP 7 5.098 5.827 6.871 56 HZ2 TRP 7 2HZ TRP 7 7.307 9.871 4.980 57 HZ3 TRP 7 3HZ TRP 7 7.437 5.771 6.086 58 HH2 TRP 7 HH TRP 7 8.504 7.752 5.169 59 H GLU 8 H GLU 8 0.021 5.071 5.331 60 HA GLU 8 HA GLU 8 -1.106 4.108 7.824 61 HB2 GLU 8 2HB GLU 8 -1.949 3.733 4.948 62 HB3 GLU 8 1HB GLU 8 -2.799 3.041 6.318 63 HG2 GLU 8 2HG GLU 8 -2.448 5.975 5.721 64 HG3 GLU 8 1HG GLU 8 -3.905 4.988 5.544 65 H TYR 9 H TYR 9 -1.839 1.656 7.519 66 HA TYR 9 HA TYR 9 0.537 0.142 7.732 67 HB2 TYR 9 2HB TYR 9 -1.580 -0.387 8.923 68 HB3 TYR 9 1HB TYR 9 -2.308 -0.855 7.398 69 HD1 TYR 9 1HD TYR 9 0.150 -1.756 9.949 70 HD2 TYR 9 2HD TYR 9 -1.792 -2.964 6.384 71 HE1 TYR 9 1HE TYR 9 0.978 -4.030 10.289 72 HE2 TYR 9 2HE TYR 9 -0.983 -5.249 6.695 73 HH TYR 9 HH TYR 9 0.359 -6.325 9.607 74 H CYS 10 H CYS 10 -1.692 0.662 5.131 75 HA CYS 10 HA CYS 10 -1.488 0.523 2.904 76 HB2 CYS 10 2HB CYS 10 0.873 1.023 2.975 77 HB3 CYS 10 1HB CYS 10 1.280 -0.629 3.421 78 H ILE 11 H ILE 11 -2.117 -0.873 1.283 79 HA ILE 11 HA ILE 11 -2.403 -3.685 2.084 80 HB ILE 11 HB ILE 11 -4.443 -2.006 0.587 81 HG12 ILE 11 2HG1 ILE 11 -4.638 -3.227 3.353 82 HG13 ILE 11 1HG1 ILE 11 -4.427 -1.514 3.007 83 HG21 ILE 11 1HG2 ILE 11 -5.893 -3.996 0.680 84 HG22 ILE 11 2HG2 ILE 11 -4.574 -4.906 1.415 85 HG23 ILE 11 3HG2 ILE 11 -4.411 -4.297 -0.230 86 HD11 ILE 11 3HD1 ILE 11 -6.808 -3.188 2.237 87 HD12 ILE 11 1HD1 ILE 11 -6.613 -1.466 1.925 88 HD13 ILE 11 2HD1 ILE 11 -6.741 -2.057 3.584 89 H VAL 12 H VAL 12 -1.721 -5.083 0.539 90 HA VAL 12 HA VAL 12 -1.289 -4.042 -2.161 91 HB VAL 12 HB VAL 12 0.501 -6.054 -0.762 92 HG11 VAL 12 1HG1 VAL 12 1.999 -5.737 -2.676 93 HG12 VAL 12 2HG1 VAL 12 0.820 -4.651 -3.410 94 HG13 VAL 12 3HG1 VAL 12 0.419 -6.351 -3.166 95 HG21 VAL 12 3HG2 VAL 12 0.837 -3.881 0.276 96 HG22 VAL 12 1HG2 VAL 12 1.035 -3.127 -1.305 97 HG23 VAL 12 2HG2 VAL 12 2.231 -4.283 -0.725 98 HA PRO 13 HA PRO 13 -4.089 -7.641 -2.527 99 HB2 PRO 13 2HB PRO 13 -4.895 -7.018 -5.072 100 HB3 PRO 13 1HB PRO 13 -5.636 -6.331 -3.623 101 HG2 PRO 13 2HG PRO 13 -3.579 -5.151 -5.444 102 HG3 PRO 13 1HG PRO 13 -4.980 -4.374 -4.688 103 HD2 PRO 13 2HD PRO 13 -2.483 -4.080 -3.755 104 HD3 PRO 13 1HD PRO 13 -3.891 -4.095 -2.674 105 H ILE 14 H ILE 14 -2.153 -6.481 -5.267 106 HA ILE 14 HA ILE 14 -0.929 -9.093 -5.624 107 HB ILE 14 HB ILE 14 -2.273 -7.472 -7.840 108 HG12 ILE 14 2HG1 ILE 14 -2.873 -10.279 -6.863 109 HG13 ILE 14 1HG1 ILE 14 -3.857 -8.857 -6.548 110 HG21 ILE 14 1HG2 ILE 14 -0.623 -9.986 -8.080 111 HG22 ILE 14 2HG2 ILE 14 -0.169 -8.375 -8.635 112 HG23 ILE 14 3HG2 ILE 14 -1.523 -9.220 -9.389 113 HD11 ILE 14 3HD1 ILE 14 -4.343 -8.664 -8.926 114 HD12 ILE 14 1HD1 ILE 14 -4.804 -10.249 -8.313 115 HD13 ILE 14 2HD1 ILE 14 -3.326 -10.064 -9.258 116 H LEU 15 H LEU 15 1.199 -8.831 -6.304 117 HA LEU 15 HA LEU 15 2.486 -6.472 -5.700 118 HB2 LEU 15 2HB LEU 15 4.518 -7.370 -6.645 119 HB3 LEU 15 1HB LEU 15 3.672 -8.626 -5.781 120 HG LEU 15 HG LEU 15 3.734 -8.353 -8.800 121 HD11 LEU 15 1HD1 LEU 15 5.272 -10.199 -6.988 122 HD12 LEU 15 2HD1 LEU 15 5.936 -8.850 -7.910 123 HD13 LEU 15 3HD1 LEU 15 5.266 -10.248 -8.750 124 HD21 LEU 15 3HD2 LEU 15 2.769 -10.599 -7.028 125 HD22 LEU 15 1HD2 LEU 15 2.873 -10.659 -8.789 126 HD23 LEU 15 2HD2 LEU 15 1.755 -9.544 -8.011 127 H GLY 16 H GLY 16 2.637 -4.637 -6.583 128 HA2 GLY 16 2HA GLY 16 3.268 -3.225 -8.412 129 HA3 GLY 16 1HA GLY 16 2.440 -4.338 -9.497 130 H PHE 17 H PHE 17 0.442 -4.311 -7.008 131 HA PHE 17 HA PHE 17 -0.945 -1.850 -7.765 132 HB2 PHE 17 2HB PHE 17 -2.155 -4.579 -7.222 133 HB3 PHE 17 1HB PHE 17 -3.078 -3.097 -7.426 134 HD1 PHE 17 2HD PHE 17 -3.281 -2.059 -9.616 135 HD2 PHE 17 1HD PHE 17 -1.173 -5.712 -9.090 136 HE1 PHE 17 2HE PHE 17 -3.353 -2.444 -12.039 137 HE2 PHE 17 1HE PHE 17 -1.244 -6.105 -11.514 138 HZ PHE 17 HZ PHE 17 -2.335 -4.462 -12.994 139 H VAL 18 H VAL 18 -1.391 -0.629 -6.035 140 HA VAL 18 HA VAL 18 -1.386 -1.928 -3.421 141 HB VAL 18 HB VAL 18 -0.107 -0.060 -2.430 142 HG11 VAL 18 1HG1 VAL 18 1.110 -2.058 -3.058 143 HG12 VAL 18 2HG1 VAL 18 2.112 -0.625 -3.310 144 HG13 VAL 18 3HG1 VAL 18 1.348 -1.421 -4.683 145 HG21 VAL 18 3HG2 VAL 18 0.324 0.863 -5.278 146 HG22 VAL 18 1HG2 VAL 18 1.123 1.530 -3.854 147 HG23 VAL 18 2HG2 VAL 18 -0.621 1.703 -4.050 148 H TYR 19 H TYR 19 -2.715 -0.983 -1.892 149 HA TYR 19 HA TYR 19 -4.419 1.075 -3.035 150 HB2 TYR 19 2HB TYR 19 -5.094 -0.930 -0.880 151 HB3 TYR 19 1HB TYR 19 -6.117 0.436 -1.300 152 HD1 TYR 19 2HD TYR 19 -6.226 0.554 -4.106 153 HD2 TYR 19 1HD TYR 19 -5.991 -2.915 -1.663 154 HE1 TYR 19 2HE TYR 19 -7.259 -0.765 -5.890 155 HE2 TYR 19 1HE TYR 19 -7.021 -4.240 -3.449 156 HH TYR 19 HH TYR 19 -8.454 -3.867 -5.437 157 H CYS 20 H CYS 20 -3.734 2.847 -2.576 158 HA CYS 20 HA CYS 20 -3.898 4.004 -0.031 159 HB2 CYS 20 2HB CYS 20 -1.212 3.913 -1.511 160 HB3 CYS 20 1HB CYS 20 -1.606 5.116 -0.300 161 H CYS 21 H CYS 21 -3.530 6.398 -0.574 162 HA CYS 21 HA CYS 21 -4.919 7.053 -2.900 163 HB2 CYS 21 2HB CYS 21 -3.124 8.736 -1.168 164 HB3 CYS 21 1HB CYS 21 -4.075 9.398 -2.510 165 HA PRO 22 HA PRO 22 -2.229 6.576 -6.231 166 HB2 PRO 22 2HB PRO 22 -3.005 8.641 -7.863 167 HB3 PRO 22 1HB PRO 22 -3.918 7.143 -7.666 168 HG2 PRO 22 2HG PRO 22 -4.370 9.810 -6.411 169 HG3 PRO 22 1HG PRO 22 -5.550 8.627 -7.001 170 HD2 PRO 22 2HD PRO 22 -4.938 8.947 -4.364 171 HD3 PRO 22 1HD PRO 22 -5.467 7.401 -5.051 172 H GLY 23 H GLY 23 -0.231 7.116 -6.771 173 HA2 GLY 23 2HA GLY 23 1.451 8.758 -7.325 174 HA3 GLY 23 1HA GLY 23 0.658 9.852 -6.188 175 H LEU 24 H LEU 24 0.386 7.312 -4.466 176 HA LEU 24 HA LEU 24 2.894 7.797 -3.067 177 HB2 LEU 24 2HB LEU 24 0.631 6.063 -2.082 178 HB3 LEU 24 1HB LEU 24 1.919 6.807 -1.209 179 HG LEU 24 HG LEU 24 -0.224 8.431 -2.531 180 HD11 LEU 24 1HD1 LEU 24 0.058 7.482 0.284 181 HD12 LEU 24 2HD1 LEU 24 -1.261 7.150 -0.860 182 HD13 LEU 24 3HD1 LEU 24 -1.032 8.778 -0.224 183 HD21 LEU 24 3HD2 LEU 24 1.971 9.114 -0.580 184 HD22 LEU 24 1HD2 LEU 24 0.648 10.189 -1.052 185 HD23 LEU 24 2HD2 LEU 24 1.806 9.649 -2.262 186 H ILE 25 H ILE 25 4.111 6.064 -2.342 187 HA ILE 25 HA ILE 25 3.784 3.632 -3.940 188 HB ILE 25 HB ILE 25 6.257 3.354 -3.854 189 HG12 ILE 25 2HG1 ILE 25 6.288 6.250 -2.949 190 HG13 ILE 25 1HG1 ILE 25 6.659 4.874 -1.922 191 HG21 ILE 25 1HG2 ILE 25 5.247 5.822 -5.265 192 HG22 ILE 25 2HG2 ILE 25 5.210 4.169 -5.878 193 HG23 ILE 25 3HG2 ILE 25 6.755 4.989 -5.644 194 HD11 ILE 25 3HD1 ILE 25 8.672 5.999 -2.694 195 HD12 ILE 25 1HD1 ILE 25 8.192 5.709 -4.366 196 HD13 ILE 25 2HD1 ILE 25 8.583 4.349 -3.315 197 H CYS 26 H CYS 26 3.840 1.775 -2.855 198 HA CYS 26 HA CYS 26 4.197 1.940 0.037 199 HB2 CYS 26 2HB CYS 26 2.199 0.820 -1.053 200 HB3 CYS 26 1HB CYS 26 3.297 -0.458 -1.589 201 H GLY 27 H GLY 27 6.259 2.132 0.309 202 HA2 GLY 27 2HA GLY 27 8.128 0.534 -1.273 203 HA3 GLY 27 1HA GLY 27 8.520 1.933 -0.285 204 HA PRO 28 HA PRO 28 10.328 -0.577 2.794 205 HB2 PRO 28 2HB PRO 28 9.260 0.604 5.086 206 HB3 PRO 28 1HB PRO 28 10.694 1.167 4.224 207 HG2 PRO 28 2HG PRO 28 7.874 2.144 4.063 208 HG3 PRO 28 1HG PRO 28 9.384 3.072 4.034 209 HD2 PRO 28 2HD PRO 28 8.010 2.620 1.799 210 HD3 PRO 28 1HD PRO 28 9.786 2.572 1.798 211 H PHE 29 H PHE 29 6.923 0.103 3.305 212 HA PHE 29 HA PHE 29 6.038 -2.513 3.468 213 HB2 PHE 29 2HB PHE 29 7.275 -2.503 5.648 214 HB3 PHE 29 1HB PHE 29 6.336 -1.103 6.143 215 HD1 PHE 29 2HD PHE 29 4.043 -1.326 6.749 216 HD2 PHE 29 1HD PHE 29 6.327 -4.689 5.604 217 HE1 PHE 29 2HE PHE 29 2.311 -2.812 7.725 218 HE2 PHE 29 1HE PHE 29 4.626 -6.199 6.564 219 HZ PHE 29 HZ PHE 29 2.612 -5.252 7.629 220 H VAL 30 H VAL 30 5.876 0.821 4.444 221 HA VAL 30 HA VAL 30 2.981 0.872 4.142 222 HB VAL 30 HB VAL 30 3.118 3.020 5.355 223 HG11 VAL 30 1HG1 VAL 30 2.810 0.989 6.641 224 HG12 VAL 30 2HG1 VAL 30 3.776 2.160 7.537 225 HG13 VAL 30 3HG1 VAL 30 4.562 0.778 6.764 226 HG21 VAL 30 3HG2 VAL 30 5.234 3.730 6.398 227 HG22 VAL 30 1HG2 VAL 30 5.339 3.747 4.636 228 HG23 VAL 30 2HG2 VAL 30 6.077 2.435 5.554 229 H CYS 31 H CYS 31 2.309 3.151 3.286 230 HA CYS 31 HA CYS 31 3.704 3.568 0.794 231 HB2 CYS 31 2HB CYS 31 1.075 4.589 1.882 232 HB3 CYS 31 1HB CYS 31 1.757 5.141 0.344 233 H VAL 32 H VAL 32 3.739 6.009 0.164 234 HA VAL 32 HA VAL 32 4.566 7.921 1.898 235 HB VAL 32 HB VAL 32 6.320 6.435 2.702 236 HG11 VAL 32 1HG1 VAL 32 6.593 4.975 0.752 237 HG12 VAL 32 2HG1 VAL 32 8.153 5.641 1.235 238 HG13 VAL 32 3HG1 VAL 32 7.306 6.306 -0.161 239 HG21 VAL 32 3HG2 VAL 32 8.299 7.832 2.296 240 HG22 VAL 32 1HG2 VAL 32 6.852 8.783 2.626 241 HG23 VAL 32 2HG2 VAL 32 7.446 8.630 0.971 Start of MODEL 13 1 H1 ARG 1 H ARG 1 -14.592 1.665 -0.723 2 HA ARG 1 HA ARG 1 -14.762 3.598 1.173 3 HB2 ARG 1 2HB ARG 1 -12.307 1.882 1.471 4 HB3 ARG 1 1HB ARG 1 -12.452 3.507 2.092 5 HG2 ARG 1 2HG ARG 1 -14.281 2.810 3.559 6 HG3 ARG 1 1HG ARG 1 -14.217 1.183 2.884 7 HD2 ARG 1 2HD ARG 1 -13.080 1.314 5.056 8 HD3 ARG 1 1HD ARG 1 -11.972 0.881 3.760 9 HE ARG 1 HE ARG 1 -11.917 3.649 4.078 10 HH11 ARG 1 1HH1 ARG 1 -10.961 0.773 5.962 11 HH12 ARG 1 2HH1 ARG 1 -9.670 1.579 6.732 12 HH21 ARG 1 1HH2 ARG 1 -10.122 4.690 5.136 13 HH22 ARG 1 2HH2 ARG 1 -9.194 3.819 6.268 14 H ASP 2 H ASP 2 -12.797 5.065 0.929 15 HA ASP 2 HA ASP 2 -12.096 5.307 -1.893 16 HB2 ASP 2 2HB ASP 2 -13.007 7.237 -0.518 17 HB3 ASP 2 1HB ASP 2 -11.558 7.142 0.472 18 H CYS 3 H CYS 3 -9.727 6.719 -0.597 19 HA CYS 3 HA CYS 3 -8.058 4.306 -0.460 20 HB2 CYS 3 2HB CYS 3 -6.202 5.669 -1.390 21 HB3 CYS 3 1HB CYS 3 -7.548 5.508 -2.505 22 H GLN 4 H GLN 4 -5.880 4.917 0.587 23 HA GLN 4 HA GLN 4 -6.470 6.363 3.100 24 HB2 GLN 4 2HB GLN 4 -5.280 4.676 4.314 25 HB3 GLN 4 1HB GLN 4 -6.435 3.878 3.253 26 HG2 GLN 4 2HG GLN 4 -4.743 3.318 1.688 27 HG3 GLN 4 1HG GLN 4 -3.523 4.171 2.637 28 HE21 GLN 4 1HE2 GLN 4 -3.631 1.465 1.782 29 HE22 GLN 4 2HE2 GLN 4 -3.607 0.476 3.194 30 H GLU 5 H GLU 5 -4.561 7.045 4.182 31 HA GLU 5 HA GLU 5 -3.050 8.614 2.378 32 HB2 GLU 5 2HB GLU 5 -2.945 8.225 5.315 33 HB3 GLU 5 1HB GLU 5 -1.955 9.442 4.470 34 HG2 GLU 5 2HG GLU 5 -4.144 10.365 3.634 35 HG3 GLU 5 1HG GLU 5 -4.930 9.251 4.748 36 H LYS 6 H LYS 6 -0.600 8.858 3.063 37 HA LYS 6 HA LYS 6 0.530 6.532 1.876 38 HB2 LYS 6 2HB LYS 6 2.713 7.786 1.925 39 HB3 LYS 6 1HB LYS 6 1.391 8.618 1.118 40 HG2 LYS 6 2HG LYS 6 0.960 9.746 3.191 41 HG3 LYS 6 1HG LYS 6 2.502 9.192 3.847 42 HD2 LYS 6 2HD LYS 6 2.102 10.893 1.361 43 HD3 LYS 6 1HD LYS 6 2.584 11.530 2.929 44 HE2 LYS 6 2HE LYS 6 4.653 10.117 2.774 45 HE3 LYS 6 1HE LYS 6 4.113 9.650 1.157 46 HZ1 LYS 6 3HZ LYS 6 4.232 11.928 0.457 47 HZ2 LYS 6 1HZ LYS 6 5.716 11.439 1.060 48 HZ3 LYS 6 2HZ LYS 6 4.726 12.429 1.988 49 H TRP 7 H TRP 7 1.000 7.986 5.067 50 HA TRP 7 HA TRP 7 2.820 5.865 5.761 51 HB2 TRP 7 2HB TRP 7 1.741 8.151 7.410 52 HB3 TRP 7 1HB TRP 7 2.978 7.018 7.955 53 HD1 TRP 7 HD TRP 7 2.592 10.260 6.236 54 HE1 TRP 7 1HE TRP 7 4.840 11.011 5.188 55 HE3 TRP 7 3HE TRP 7 5.215 5.905 6.643 56 HZ2 TRP 7 2HZ TRP 7 7.343 9.931 4.629 57 HZ3 TRP 7 3HZ TRP 7 7.537 5.846 5.822 58 HH2 TRP 7 HH TRP 7 8.571 7.830 4.833 59 H GLU 8 H GLU 8 0.003 5.255 5.186 60 HA GLU 8 HA GLU 8 -0.982 4.283 7.727 61 HB2 GLU 8 2HB GLU 8 -2.085 4.112 4.935 62 HB3 GLU 8 1HB GLU 8 -2.827 3.333 6.323 63 HG2 GLU 8 2HG GLU 8 -2.438 6.275 5.884 64 HG3 GLU 8 1HG GLU 8 -3.947 5.343 5.857 65 H TYR 9 H TYR 9 -1.849 1.918 7.478 66 HA TYR 9 HA TYR 9 0.271 0.183 7.645 67 HB2 TYR 9 2HB TYR 9 -2.569 -0.507 6.895 68 HB3 TYR 9 1HB TYR 9 -1.370 -1.632 7.519 69 HD1 TYR 9 1HD TYR 9 -0.651 -1.496 9.859 70 HD2 TYR 9 2HD TYR 9 -3.711 1.033 8.339 71 HE1 TYR 9 1HE TYR 9 -1.325 -0.952 12.133 72 HE2 TYR 9 2HE TYR 9 -4.386 1.592 10.605 73 HH TYR 9 HH TYR 9 -2.508 0.836 13.322 74 H CYS 10 H CYS 10 -1.489 1.139 4.827 75 HA CYS 10 HA CYS 10 -1.279 0.823 2.633 76 HB2 CYS 10 2HB CYS 10 1.082 1.251 2.816 77 HB3 CYS 10 1HB CYS 10 1.401 -0.401 3.356 78 H ILE 11 H ILE 11 0.214 -2.163 3.815 79 HA ILE 11 HA ILE 11 -1.773 -3.607 2.249 80 HB ILE 11 HB ILE 11 0.736 -4.584 3.658 81 HG12 ILE 11 2HG1 ILE 11 1.298 -3.203 1.722 82 HG13 ILE 11 1HG1 ILE 11 1.686 -4.887 1.401 83 HG21 ILE 11 1HG2 ILE 11 -1.124 -6.097 1.831 84 HG22 ILE 11 2HG2 ILE 11 -0.929 -6.344 3.566 85 HG23 ILE 11 3HG2 ILE 11 0.405 -6.701 2.469 86 HD11 ILE 11 3HD1 ILE 11 -0.377 -5.079 0.070 87 HD12 ILE 11 1HD1 ILE 11 0.715 -3.839 -0.550 88 HD13 ILE 11 2HD1 ILE 11 -0.706 -3.372 0.375 89 H VAL 12 H VAL 12 -3.366 -4.628 3.260 90 HA VAL 12 HA VAL 12 -3.117 -5.143 6.080 91 HB VAL 12 HB VAL 12 -4.335 -2.998 5.847 92 HG11 VAL 12 1HG1 VAL 12 -5.369 -3.223 3.700 93 HG12 VAL 12 2HG1 VAL 12 -6.598 -2.879 4.920 94 HG13 VAL 12 3HG1 VAL 12 -6.407 -4.518 4.298 95 HG21 VAL 12 3HG2 VAL 12 -5.921 -5.318 6.898 96 HG22 VAL 12 1HG2 VAL 12 -6.376 -3.629 7.173 97 HG23 VAL 12 2HG2 VAL 12 -4.840 -4.242 7.768 98 HA PRO 13 HA PRO 13 -4.366 -8.991 4.292 99 HB2 PRO 13 2HB PRO 13 -4.051 -10.528 6.454 100 HB3 PRO 13 1HB PRO 13 -2.670 -9.811 5.612 101 HG2 PRO 13 2HG PRO 13 -4.042 -8.896 8.110 102 HG3 PRO 13 1HG PRO 13 -2.305 -9.010 7.769 103 HD2 PRO 13 2HD PRO 13 -3.730 -6.687 7.620 104 HD3 PRO 13 1HD PRO 13 -2.273 -7.014 6.658 105 H ILE 14 H ILE 14 -6.457 -7.154 5.738 106 HA ILE 14 HA ILE 14 -8.272 -9.290 6.581 107 HB ILE 14 HB ILE 14 -9.723 -7.611 7.558 108 HG12 ILE 14 2HG1 ILE 14 -7.795 -5.529 6.460 109 HG13 ILE 14 1HG1 ILE 14 -9.416 -5.842 5.874 110 HG21 ILE 14 1HG2 ILE 14 -8.244 -6.687 9.293 111 HG22 ILE 14 2HG2 ILE 14 -6.846 -7.126 8.313 112 HG23 ILE 14 3HG2 ILE 14 -7.905 -8.383 8.951 113 HD11 ILE 14 3HD1 ILE 14 -9.334 -3.857 7.273 114 HD12 ILE 14 1HD1 ILE 14 -8.723 -4.822 8.615 115 HD13 ILE 14 2HD1 ILE 14 -10.348 -5.108 7.993 116 H LEU 15 H LEU 15 -10.515 -9.142 5.829 117 HA LEU 15 HA LEU 15 -10.637 -8.705 3.004 118 HB2 LEU 15 2HB LEU 15 -11.872 -10.537 4.144 119 HB3 LEU 15 1HB LEU 15 -12.826 -9.342 4.995 120 HG LEU 15 HG LEU 15 -13.803 -8.602 2.853 121 HD11 LEU 15 1HD1 LEU 15 -11.971 -9.167 1.357 122 HD12 LEU 15 2HD1 LEU 15 -13.463 -9.947 0.834 123 HD13 LEU 15 3HD1 LEU 15 -12.225 -10.884 1.671 124 HD21 LEU 15 3HD2 LEU 15 -14.025 -11.567 3.358 125 HD22 LEU 15 1HD2 LEU 15 -15.185 -10.580 2.471 126 HD23 LEU 15 2HD2 LEU 15 -14.929 -10.308 4.195 127 H GLY 16 H GLY 16 -11.178 -6.876 2.050 128 HA2 GLY 16 2HA GLY 16 -12.541 -4.864 1.963 129 HA3 GLY 16 1HA GLY 16 -12.360 -4.744 3.716 130 H PHE 17 H PHE 17 -9.906 -5.616 1.436 131 HA PHE 17 HA PHE 17 -7.836 -4.129 2.506 132 HB2 PHE 17 2HB PHE 17 -7.549 -6.051 0.992 133 HB3 PHE 17 1HB PHE 17 -8.195 -5.106 -0.337 134 HD1 PHE 17 2HD PHE 17 -6.843 -3.351 -1.383 135 HD2 PHE 17 1HD PHE 17 -5.302 -5.736 1.785 136 HE1 PHE 17 2HE PHE 17 -4.574 -2.606 -1.932 137 HE2 PHE 17 1HE PHE 17 -3.021 -4.998 1.225 138 HZ PHE 17 HZ PHE 17 -2.661 -3.424 -0.634 139 H VAL 18 H VAL 18 -7.159 -2.095 2.308 140 HA VAL 18 HA VAL 18 -8.549 -0.364 0.433 141 HB VAL 18 HB VAL 18 -7.921 1.538 1.983 142 HG11 VAL 18 1HG1 VAL 18 -9.731 -0.616 3.055 143 HG12 VAL 18 2HG1 VAL 18 -10.172 0.659 1.918 144 HG13 VAL 18 3HG1 VAL 18 -9.732 1.067 3.577 145 HG21 VAL 18 3HG2 VAL 18 -7.330 -0.726 3.902 146 HG22 VAL 18 1HG2 VAL 18 -7.424 0.984 4.329 147 HG23 VAL 18 2HG2 VAL 18 -6.149 0.412 3.252 148 H TYR 19 H TYR 19 -7.429 1.051 -0.731 149 HA TYR 19 HA TYR 19 -4.644 0.309 -1.221 150 HB2 TYR 19 2HB TYR 19 -6.460 2.014 -2.934 151 HB3 TYR 19 1HB TYR 19 -5.036 1.115 -3.436 152 HD1 TYR 19 2HD TYR 19 -8.603 0.882 -2.565 153 HD2 TYR 19 1HD TYR 19 -5.207 -1.276 -3.955 154 HE1 TYR 19 2HE TYR 19 -10.056 -0.958 -3.201 155 HE2 TYR 19 1HE TYR 19 -6.680 -3.145 -4.608 156 HH TYR 19 HH TYR 19 -10.078 -2.820 -4.722 157 H CYS 20 H CYS 20 -3.049 1.994 -1.147 158 HA CYS 20 HA CYS 20 -3.964 4.365 0.170 159 HB2 CYS 20 2HB CYS 20 -1.630 5.086 0.347 160 HB3 CYS 20 1HB CYS 20 -1.771 3.417 0.864 161 H CYS 21 H CYS 21 -3.856 6.355 -0.542 162 HA CYS 21 HA CYS 21 -5.009 6.881 -2.961 163 HB2 CYS 21 2HB CYS 21 -3.426 8.702 -1.176 164 HB3 CYS 21 1HB CYS 21 -4.466 9.271 -2.491 165 HA PRO 22 HA PRO 22 -2.220 6.861 -6.309 166 HB2 PRO 22 2HB PRO 22 -2.933 9.131 -7.688 167 HB3 PRO 22 1HB PRO 22 -3.848 7.618 -7.711 168 HG2 PRO 22 2HG PRO 22 -4.312 10.078 -6.074 169 HG3 PRO 22 1HG PRO 22 -5.489 9.073 -6.940 170 HD2 PRO 22 2HD PRO 22 -5.138 8.846 -4.291 171 HD3 PRO 22 1HD PRO 22 -5.461 7.417 -5.295 172 H GLY 23 H GLY 23 -0.291 7.614 -7.048 173 HA2 GLY 23 2HA GLY 23 1.447 9.160 -7.339 174 HA3 GLY 23 1HA GLY 23 0.701 10.199 -6.132 175 H LEU 24 H LEU 24 0.455 7.482 -4.598 176 HA LEU 24 HA LEU 24 2.969 7.890 -3.184 177 HB2 LEU 24 2HB LEU 24 0.734 6.092 -2.248 178 HB3 LEU 24 1HB LEU 24 2.003 6.850 -1.368 179 HG LEU 24 HG LEU 24 -0.167 8.476 -2.641 180 HD11 LEU 24 1HD1 LEU 24 -1.208 7.098 -1.040 181 HD12 LEU 24 2HD1 LEU 24 -1.045 8.710 -0.339 182 HD13 LEU 24 3HD1 LEU 24 0.062 7.407 0.137 183 HD21 LEU 24 3HD2 LEU 24 1.831 9.728 -2.290 184 HD22 LEU 24 1HD2 LEU 24 2.005 9.118 -0.647 185 HD23 LEU 24 2HD2 LEU 24 0.667 10.194 -1.049 186 H ILE 25 H ILE 25 4.126 6.069 -2.465 187 HA ILE 25 HA ILE 25 3.805 3.657 -4.085 188 HB ILE 25 HB ILE 25 6.331 3.472 -4.104 189 HG12 ILE 25 2HG1 ILE 25 6.176 6.401 -3.322 190 HG13 ILE 25 1HG1 ILE 25 6.812 5.103 -2.324 191 HG21 ILE 25 1HG2 ILE 25 5.116 4.068 -6.101 192 HG22 ILE 25 2HG2 ILE 25 6.627 4.975 -6.026 193 HG23 ILE 25 3HG2 ILE 25 5.102 5.765 -5.623 194 HD11 ILE 25 3HD1 ILE 25 8.613 4.758 -3.929 195 HD12 ILE 25 1HD1 ILE 25 8.593 6.414 -3.324 196 HD13 ILE 25 2HD1 ILE 25 7.968 6.055 -4.935 197 H CYS 26 H CYS 26 3.993 1.791 -2.967 198 HA CYS 26 HA CYS 26 4.399 2.004 -0.083 199 HB2 CYS 26 2HB CYS 26 2.402 0.807 -1.183 200 HB3 CYS 26 1HB CYS 26 3.551 -0.457 -1.621 201 H GLY 27 H GLY 27 6.433 2.089 0.310 202 HA2 GLY 27 2HA GLY 27 8.293 0.508 -1.279 203 HA3 GLY 27 1HA GLY 27 8.721 1.808 -0.179 204 HA PRO 28 HA PRO 28 9.917 -1.160 2.750 205 HB2 PRO 28 2HB PRO 28 9.208 0.009 5.148 206 HB3 PRO 28 1HB PRO 28 10.638 0.447 4.214 207 HG2 PRO 28 2HG PRO 28 8.014 1.848 4.412 208 HG3 PRO 28 1HG PRO 28 9.636 2.523 4.203 209 HD2 PRO 28 2HD PRO 28 7.786 2.277 2.183 210 HD3 PRO 28 1HD PRO 28 9.535 2.338 1.927 211 H PHE 29 H PHE 29 7.232 -0.075 4.760 212 HA PHE 29 HA PHE 29 5.825 -2.555 4.072 213 HB2 PHE 29 2HB PHE 29 5.949 -1.224 6.802 214 HB3 PHE 29 1HB PHE 29 4.956 -2.609 6.397 215 HD1 PHE 29 1HD PHE 29 6.031 -4.791 5.889 216 HD2 PHE 29 2HD PHE 29 8.247 -1.458 7.337 217 HE1 PHE 29 1HE PHE 29 7.852 -6.296 6.553 218 HE2 PHE 29 2HE PHE 29 10.077 -2.962 8.007 219 HZ PHE 29 HZ PHE 29 9.880 -5.386 7.614 220 H VAL 30 H VAL 30 5.814 0.791 4.187 221 HA VAL 30 HA VAL 30 2.904 0.916 4.013 222 HB VAL 30 HB VAL 30 2.912 3.037 5.191 223 HG11 VAL 30 1HG1 VAL 30 4.396 0.935 6.757 224 HG12 VAL 30 2HG1 VAL 30 2.649 1.057 6.549 225 HG13 VAL 30 3HG1 VAL 30 3.516 2.305 7.441 226 HG21 VAL 30 3HG2 VAL 30 5.903 2.667 5.422 227 HG22 VAL 30 1HG2 VAL 30 4.970 3.861 6.332 228 HG23 VAL 30 2HG2 VAL 30 5.044 3.947 4.574 229 H CYS 31 H CYS 31 2.368 3.240 3.137 230 HA CYS 31 HA CYS 31 3.813 3.587 0.632 231 HB2 CYS 31 2HB CYS 31 1.202 4.697 1.665 232 HB3 CYS 31 1HB CYS 31 1.893 5.120 0.092 233 H VAL 32 H VAL 32 3.863 5.999 -0.003 234 HA VAL 32 HA VAL 32 4.682 7.920 1.713 235 HB VAL 32 HB VAL 32 6.459 6.440 2.507 236 HG11 VAL 32 1HG1 VAL 32 8.238 5.610 1.010 237 HG12 VAL 32 2HG1 VAL 32 7.369 6.264 -0.377 238 HG13 VAL 32 3HG1 VAL 32 6.663 4.949 0.564 239 HG21 VAL 32 3HG2 VAL 32 8.428 7.820 2.003 240 HG22 VAL 32 1HG2 VAL 32 6.994 8.785 2.360 241 HG23 VAL 32 2HG2 VAL 32 7.527 8.584 0.690 Start of MODEL 14 1 H1 ARG 1 H ARG 1 -14.962 8.348 -3.195 2 HA ARG 1 HA ARG 1 -14.150 5.875 -3.237 3 HB2 ARG 1 2HB ARG 1 -12.964 6.239 -5.367 4 HB3 ARG 1 1HB ARG 1 -11.969 7.467 -4.597 5 HG2 ARG 1 2HG ARG 1 -10.961 5.785 -3.164 6 HG3 ARG 1 1HG ARG 1 -12.008 4.546 -3.856 7 HD2 ARG 1 2HD ARG 1 -9.791 4.445 -4.854 8 HD3 ARG 1 1HD ARG 1 -10.989 4.920 -6.052 9 HE ARG 1 HE ARG 1 -9.748 7.189 -4.857 10 HH11 ARG 1 1HH1 ARG 1 -9.274 4.696 -7.303 11 HH12 ARG 1 2HH1 ARG 1 -8.145 5.576 -8.209 12 HH21 ARG 1 1HH2 ARG 1 -8.228 8.434 -6.099 13 HH22 ARG 1 2HH2 ARG 1 -7.555 7.781 -7.518 14 H ASP 2 H ASP 2 -12.957 5.387 -1.444 15 HA ASP 2 HA ASP 2 -11.785 7.639 0.027 16 HB2 ASP 2 2HB ASP 2 -13.705 6.842 1.277 17 HB3 ASP 2 1HB ASP 2 -13.176 5.175 1.126 18 H CYS 3 H CYS 3 -9.686 7.458 -0.556 19 HA CYS 3 HA CYS 3 -8.439 4.825 -0.298 20 HB2 CYS 3 2HB CYS 3 -6.485 5.885 -1.404 21 HB3 CYS 3 1HB CYS 3 -7.936 5.984 -2.394 22 H GLN 4 H GLN 4 -6.079 5.058 0.670 23 HA GLN 4 HA GLN 4 -6.494 6.554 3.172 24 HB2 GLN 4 2HB GLN 4 -5.550 4.762 4.418 25 HB3 GLN 4 1HB GLN 4 -6.617 4.023 3.238 26 HG2 GLN 4 2HG GLN 4 -4.815 3.411 1.843 27 HG3 GLN 4 1HG GLN 4 -3.652 4.206 2.911 28 HE21 GLN 4 1HE2 GLN 4 -3.720 1.520 2.065 29 HE22 GLN 4 2HE2 GLN 4 -3.919 0.501 3.431 30 H GLU 5 H GLU 5 -4.602 7.242 4.197 31 HA GLU 5 HA GLU 5 -2.999 8.647 2.365 32 HB2 GLU 5 2HB GLU 5 -2.932 8.363 5.312 33 HB3 GLU 5 1HB GLU 5 -1.764 9.381 4.453 34 HG2 GLU 5 2HG GLU 5 -3.797 10.563 3.488 35 HG3 GLU 5 1HG GLU 5 -4.747 9.679 4.682 36 H LYS 6 H LYS 6 -0.535 8.827 2.959 37 HA LYS 6 HA LYS 6 0.522 6.500 1.804 38 HB2 LYS 6 2HB LYS 6 2.718 7.714 1.887 39 HB3 LYS 6 1HB LYS 6 1.412 8.637 1.153 40 HG2 LYS 6 2HG LYS 6 1.041 9.533 3.431 41 HG3 LYS 6 1HG LYS 6 2.659 8.994 3.840 42 HD2 LYS 6 2HD LYS 6 1.956 10.913 1.597 43 HD3 LYS 6 1HD LYS 6 2.545 11.397 3.181 44 HE2 LYS 6 2HE LYS 6 4.628 10.103 2.715 45 HE3 LYS 6 1HE LYS 6 3.997 9.809 1.089 46 HZ1 LYS 6 3HZ LYS 6 4.542 12.465 2.260 47 HZ2 LYS 6 1HZ LYS 6 3.976 12.191 0.691 48 HZ3 LYS 6 2HZ LYS 6 5.514 11.676 1.138 49 H TRP 7 H TRP 7 0.963 7.883 5.032 50 HA TRP 7 HA TRP 7 2.778 5.776 5.781 51 HB2 TRP 7 2HB TRP 7 1.590 8.029 7.402 52 HB3 TRP 7 1HB TRP 7 2.852 6.943 7.976 53 HD1 TRP 7 HD TRP 7 2.374 10.176 6.251 54 HE1 TRP 7 1HE TRP 7 4.610 11.015 5.264 55 HE3 TRP 7 3HE TRP 7 5.141 5.928 6.736 56 HZ2 TRP 7 2HZ TRP 7 7.144 10.024 4.766 57 HZ3 TRP 7 3HZ TRP 7 7.493 5.963 5.958 58 HH2 TRP 7 HH TRP 7 8.456 7.972 4.999 59 H GLU 8 H GLU 8 -0.053 5.115 5.153 60 HA GLU 8 HA GLU 8 -1.167 4.216 7.682 61 HB2 GLU 8 2HB GLU 8 -2.149 3.911 4.849 62 HB3 GLU 8 1HB GLU 8 -3.033 3.409 6.280 63 HG2 GLU 8 2HG GLU 8 -2.206 6.220 5.652 64 HG3 GLU 8 1HG GLU 8 -3.803 5.541 5.368 65 H TYR 9 H TYR 9 -2.341 1.833 6.768 66 HA TYR 9 HA TYR 9 -0.363 -0.079 7.338 67 HB2 TYR 9 2HB TYR 9 -2.996 -0.595 5.960 68 HB3 TYR 9 1HB TYR 9 -2.066 -1.717 6.945 69 HD1 TYR 9 1HD TYR 9 -1.810 -1.188 9.415 70 HD2 TYR 9 2HD TYR 9 -4.614 0.784 6.905 71 HE1 TYR 9 1HE TYR 9 -3.046 -0.483 11.372 72 HE2 TYR 9 2HE TYR 9 -5.870 1.505 8.844 73 HH TYR 9 HH TYR 9 -4.644 1.303 12.016 74 H CYS 10 H CYS 10 -1.604 1.261 4.429 75 HA CYS 10 HA CYS 10 -1.184 1.112 2.258 76 HB2 CYS 10 2HB CYS 10 1.157 1.247 2.611 77 HB3 CYS 10 1HB CYS 10 1.278 -0.451 3.091 78 H ILE 11 H ILE 11 -0.118 -2.175 3.120 79 HA ILE 11 HA ILE 11 -2.224 -3.172 1.345 80 HB ILE 11 HB ILE 11 0.228 -4.576 2.458 81 HG12 ILE 11 2HG1 ILE 11 -0.234 -3.530 -0.349 82 HG13 ILE 11 1HG1 ILE 11 0.838 -2.813 0.844 83 HG21 ILE 11 1HG2 ILE 11 -1.748 -5.488 0.364 84 HG22 ILE 11 2HG2 ILE 11 -1.592 -6.124 2.000 85 HG23 ILE 11 3HG2 ILE 11 -0.283 -6.352 0.839 86 HD11 ILE 11 3HD1 ILE 11 2.083 -4.118 -0.775 87 HD12 ILE 11 1HD1 ILE 11 1.132 -5.549 -0.373 88 HD13 ILE 11 2HD1 ILE 11 2.203 -4.834 0.831 89 H VAL 12 H VAL 12 -3.834 -4.345 2.288 90 HA VAL 12 HA VAL 12 -3.467 -5.056 5.103 91 HB VAL 12 HB VAL 12 -6.109 -4.203 3.859 92 HG11 VAL 12 1HG1 VAL 12 -6.345 -5.703 5.752 93 HG12 VAL 12 2HG1 VAL 12 -6.895 -4.082 6.176 94 HG13 VAL 12 3HG1 VAL 12 -5.323 -4.653 6.734 95 HG21 VAL 12 3HG2 VAL 12 -4.281 -2.579 5.635 96 HG22 VAL 12 1HG2 VAL 12 -5.902 -2.104 5.132 97 HG23 VAL 12 2HG2 VAL 12 -4.618 -2.267 3.933 98 HA PRO 13 HA PRO 13 -4.123 -9.060 3.274 99 HB2 PRO 13 2HB PRO 13 -4.322 -10.508 5.578 100 HB3 PRO 13 1HB PRO 13 -2.785 -9.934 4.923 101 HG2 PRO 13 2HG PRO 13 -4.467 -8.772 7.107 102 HG3 PRO 13 1HG PRO 13 -2.705 -8.959 7.029 103 HD2 PRO 13 2HD PRO 13 -3.939 -6.607 6.554 104 HD3 PRO 13 1HD PRO 13 -2.439 -7.072 5.727 105 H ILE 14 H ILE 14 -6.333 -7.554 5.415 106 HA ILE 14 HA ILE 14 -8.390 -9.455 4.616 107 HB ILE 14 HB ILE 14 -9.732 -8.625 6.559 108 HG12 ILE 14 2HG1 ILE 14 -7.125 -7.320 7.390 109 HG13 ILE 14 1HG1 ILE 14 -8.573 -6.464 6.879 110 HG21 ILE 14 1HG2 ILE 14 -8.488 -9.899 8.255 111 HG22 ILE 14 2HG2 ILE 14 -7.078 -9.897 7.195 112 HG23 ILE 14 3HG2 ILE 14 -8.553 -10.725 6.698 113 HD11 ILE 14 3HD1 ILE 14 -8.325 -6.437 9.290 114 HD12 ILE 14 1HD1 ILE 14 -8.313 -8.201 9.322 115 HD13 ILE 14 2HD1 ILE 14 -9.766 -7.338 8.819 116 H LEU 15 H LEU 15 -10.322 -8.674 3.843 117 HA LEU 15 HA LEU 15 -10.008 -6.158 2.491 118 HB2 LEU 15 2HB LEU 15 -12.239 -8.180 2.334 119 HB3 LEU 15 1HB LEU 15 -12.055 -6.776 1.302 120 HG LEU 15 HG LEU 15 -10.140 -9.103 1.428 121 HD11 LEU 15 1HD1 LEU 15 -12.104 -8.287 -0.685 122 HD12 LEU 15 2HD1 LEU 15 -12.241 -9.691 0.375 123 HD13 LEU 15 3HD1 LEU 15 -10.940 -9.605 -0.813 124 HD21 LEU 15 3HD2 LEU 15 -8.959 -7.050 0.907 125 HD22 LEU 15 1HD2 LEU 15 -10.160 -6.647 -0.324 126 HD23 LEU 15 2HD2 LEU 15 -9.108 -8.042 -0.540 127 H GLY 16 H GLY 16 -12.168 -4.822 2.264 128 HA2 GLY 16 2HA GLY 16 -13.854 -3.690 3.455 129 HA3 GLY 16 1HA GLY 16 -13.266 -4.422 4.952 130 H PHE 17 H PHE 17 -10.741 -3.581 3.134 131 HA PHE 17 HA PHE 17 -10.433 -0.899 4.230 132 HB2 PHE 17 2HB PHE 17 -8.381 -3.129 4.147 133 HB3 PHE 17 1HB PHE 17 -7.967 -1.443 4.427 134 HD1 PHE 17 1HD PHE 17 -9.694 -4.388 5.828 135 HD2 PHE 17 2HD PHE 17 -8.332 -0.419 6.534 136 HE1 PHE 17 1HE PHE 17 -10.100 -4.680 8.230 137 HE2 PHE 17 2HE PHE 17 -8.736 -0.704 8.937 138 HZ PHE 17 HZ PHE 17 -9.620 -2.834 9.792 139 H VAL 18 H VAL 18 -8.401 0.075 2.959 140 HA VAL 18 HA VAL 18 -8.714 -0.652 0.145 141 HB VAL 18 HB VAL 18 -10.143 1.309 0.847 142 HG11 VAL 18 1HG1 VAL 18 -7.520 2.705 1.251 143 HG12 VAL 18 2HG1 VAL 18 -8.705 2.292 2.485 144 HG13 VAL 18 3HG1 VAL 18 -9.109 3.478 1.244 145 HG21 VAL 18 3HG2 VAL 18 -8.028 1.921 -1.226 146 HG22 VAL 18 1HG2 VAL 18 -9.576 2.749 -1.073 147 HG23 VAL 18 2HG2 VAL 18 -9.530 1.039 -1.505 148 H TYR 19 H TYR 19 -6.894 0.440 -1.133 149 HA TYR 19 HA TYR 19 -4.428 0.248 0.364 150 HB2 TYR 19 2HB TYR 19 -5.053 0.117 -2.587 151 HB3 TYR 19 1HB TYR 19 -3.404 0.346 -2.009 152 HD1 TYR 19 1HD TYR 19 -6.324 -1.913 -1.302 153 HD2 TYR 19 2HD TYR 19 -2.111 -1.563 -1.806 154 HE1 TYR 19 1HE TYR 19 -6.089 -4.321 -0.961 155 HE2 TYR 19 2HE TYR 19 -1.875 -3.979 -1.472 156 HH TYR 19 HH TYR 19 -4.503 -6.109 -1.485 157 H CYS 20 H CYS 20 -2.665 1.866 -0.374 158 HA CYS 20 HA CYS 20 -3.698 4.341 0.515 159 HB2 CYS 20 2HB CYS 20 -1.429 5.233 0.289 160 HB3 CYS 20 1HB CYS 20 -1.415 3.675 1.098 161 H CYS 21 H CYS 21 -3.730 6.290 -0.441 162 HA CYS 21 HA CYS 21 -4.986 6.591 -2.848 163 HB2 CYS 21 2HB CYS 21 -3.260 8.514 -1.327 164 HB3 CYS 21 1HB CYS 21 -4.334 8.995 -2.660 165 HA PRO 22 HA PRO 22 -2.002 6.333 -6.089 166 HB2 PRO 22 2HB PRO 22 -2.957 8.206 -7.828 167 HB3 PRO 22 1HB PRO 22 -3.712 6.623 -7.599 168 HG2 PRO 22 2HG PRO 22 -4.460 9.268 -6.432 169 HG3 PRO 22 1HG PRO 22 -5.508 7.999 -7.094 170 HD2 PRO 22 2HD PRO 22 -5.114 8.326 -4.425 171 HD3 PRO 22 1HD PRO 22 -5.398 6.731 -5.147 172 H GLY 23 H GLY 23 -0.170 7.296 -6.807 173 HA2 GLY 23 2HA GLY 23 1.300 9.113 -7.223 174 HA3 GLY 23 1HA GLY 23 0.365 10.091 -6.091 175 H LEU 24 H LEU 24 0.716 7.098 -4.828 176 HA LEU 24 HA LEU 24 3.044 7.946 -3.244 177 HB2 LEU 24 2HB LEU 24 0.878 6.089 -2.252 178 HB3 LEU 24 1HB LEU 24 2.130 6.900 -1.384 179 HG LEU 24 HG LEU 24 -0.061 8.453 -2.712 180 HD11 LEU 24 1HD1 LEU 24 -0.974 8.694 -0.432 181 HD12 LEU 24 2HD1 LEU 24 0.158 7.413 0.075 182 HD13 LEU 24 3HD1 LEU 24 -1.095 7.078 -1.122 183 HD21 LEU 24 3HD2 LEU 24 0.710 10.205 -1.134 184 HD22 LEU 24 1HD2 LEU 24 1.926 9.734 -2.323 185 HD23 LEU 24 2HD2 LEU 24 2.049 9.146 -0.674 186 H ILE 25 H ILE 25 4.336 6.231 -2.501 187 HA ILE 25 HA ILE 25 4.128 3.829 -4.178 188 HB ILE 25 HB ILE 25 6.588 3.624 -4.113 189 HG12 ILE 25 2HG1 ILE 25 6.591 6.404 -2.898 190 HG13 ILE 25 1HG1 ILE 25 6.952 4.928 -2.011 191 HG21 ILE 25 1HG2 ILE 25 5.589 6.241 -5.218 192 HG22 ILE 25 2HG2 ILE 25 5.556 4.678 -6.030 193 HG23 ILE 25 3HG2 ILE 25 7.099 5.458 -5.674 194 HD11 ILE 25 3HD1 ILE 25 8.895 4.549 -3.433 195 HD12 ILE 25 1HD1 ILE 25 8.973 6.120 -2.636 196 HD13 ILE 25 2HD1 ILE 25 8.520 6.015 -4.338 197 H CYS 26 H CYS 26 4.322 1.899 -3.157 198 HA CYS 26 HA CYS 26 4.488 2.084 -0.241 199 HB2 CYS 26 2HB CYS 26 2.473 1.016 -1.359 200 HB3 CYS 26 1HB CYS 26 3.552 -0.285 -1.866 201 H GLY 27 H GLY 27 6.435 1.856 0.411 202 HA2 GLY 27 2HA GLY 27 8.255 0.151 -1.168 203 HA3 GLY 27 1HA GLY 27 8.718 1.558 -0.213 204 HA PRO 28 HA PRO 28 10.147 -0.875 3.036 205 HB2 PRO 28 2HB PRO 28 9.195 0.514 5.235 206 HB3 PRO 28 1HB PRO 28 10.629 0.958 4.305 207 HG2 PRO 28 2HG PRO 28 7.844 2.032 4.138 208 HG3 PRO 28 1HG PRO 28 9.385 2.904 4.051 209 HD2 PRO 28 2HD PRO 28 7.960 2.369 1.857 210 HD3 PRO 28 1HD PRO 28 9.733 2.305 1.833 211 H PHE 29 H PHE 29 6.771 0.023 3.318 212 HA PHE 29 HA PHE 29 5.666 -2.458 3.793 213 HB2 PHE 29 2HB PHE 29 6.830 -2.388 5.984 214 HB3 PHE 29 1HB PHE 29 6.159 -0.798 6.299 215 HD1 PHE 29 1HD PHE 29 5.475 -4.374 6.168 216 HD2 PHE 29 2HD PHE 29 3.895 -0.544 6.981 217 HE1 PHE 29 1HE PHE 29 3.563 -5.421 7.315 218 HE2 PHE 29 2HE PHE 29 1.962 -1.559 8.142 219 HZ PHE 29 HZ PHE 29 1.800 -4.012 8.306 220 H VAL 30 H VAL 30 5.806 0.935 4.463 221 HA VAL 30 HA VAL 30 2.930 1.238 4.107 222 HB VAL 30 HB VAL 30 3.251 3.464 5.144 223 HG11 VAL 30 1HG1 VAL 30 4.510 1.289 6.791 224 HG12 VAL 30 2HG1 VAL 30 2.770 1.518 6.555 225 HG13 VAL 30 3HG1 VAL 30 3.712 2.743 7.397 226 HG21 VAL 30 3HG2 VAL 30 5.530 3.936 4.428 227 HG22 VAL 30 1HG2 VAL 30 6.134 2.611 5.426 228 HG23 VAL 30 2HG2 VAL 30 5.420 4.023 6.189 229 H CYS 31 H CYS 31 2.521 3.531 3.141 230 HA CYS 31 HA CYS 31 4.010 3.704 0.655 231 HB2 CYS 31 2HB CYS 31 1.366 4.853 1.530 232 HB3 CYS 31 1HB CYS 31 2.092 5.153 -0.060 233 H VAL 32 H VAL 32 4.040 6.140 -0.048 234 HA VAL 32 HA VAL 32 4.725 8.079 1.721 235 HB VAL 32 HB VAL 32 6.514 6.601 2.534 236 HG11 VAL 32 1HG1 VAL 32 7.531 6.545 -0.313 237 HG12 VAL 32 2HG1 VAL 32 6.835 5.188 0.572 238 HG13 VAL 32 3HG1 VAL 32 8.375 5.877 1.085 239 HG21 VAL 32 3HG2 VAL 32 7.595 8.873 0.868 240 HG22 VAL 32 1HG2 VAL 32 8.471 8.047 2.160 241 HG23 VAL 32 2HG2 VAL 32 7.008 8.948 2.532 Start of MODEL 15 1 H1 ARG 1 H ARG 1 -11.597 11.094 -4.221 2 HA ARG 1 HA ARG 1 -11.130 8.469 -5.314 3 HB2 ARG 1 2HB ARG 1 -8.886 10.339 -4.549 4 HB3 ARG 1 1HB ARG 1 -8.701 8.631 -4.891 5 HG2 ARG 1 2HG ARG 1 -9.586 10.742 -6.855 6 HG3 ARG 1 1HG ARG 1 -7.974 10.040 -6.751 7 HD2 ARG 1 2HD ARG 1 -10.534 8.607 -7.454 8 HD3 ARG 1 1HD ARG 1 -9.214 8.993 -8.551 9 HE ARG 1 HE ARG 1 -9.027 7.094 -6.307 10 HH11 ARG 1 1HH1 ARG 1 -7.828 8.149 -9.465 11 HH12 ARG 1 2HH1 ARG 1 -7.099 6.662 -9.826 12 HH21 ARG 1 1HH2 ARG 1 -8.037 5.055 -6.812 13 HH22 ARG 1 2HH2 ARG 1 -7.203 4.875 -8.286 14 H ASP 2 H ASP 2 -11.870 7.304 -3.618 15 HA ASP 2 HA ASP 2 -11.267 8.237 -0.942 16 HB2 ASP 2 2HB ASP 2 -13.559 7.410 -1.342 17 HB3 ASP 2 1HB ASP 2 -12.901 5.831 -1.780 18 H CYS 3 H CYS 3 -9.438 7.736 -0.195 19 HA CYS 3 HA CYS 3 -8.347 5.086 -0.519 20 HB2 CYS 3 2HB CYS 3 -6.197 6.110 -1.326 21 HB3 CYS 3 1HB CYS 3 -7.521 6.103 -2.491 22 H GLN 4 H GLN 4 -6.024 5.261 0.540 23 HA GLN 4 HA GLN 4 -6.496 6.640 3.095 24 HB2 GLN 4 2HB GLN 4 -5.623 4.782 4.279 25 HB3 GLN 4 1HB GLN 4 -6.656 4.104 3.029 26 HG2 GLN 4 2HG GLN 4 -4.785 3.560 1.662 27 HG3 GLN 4 1HG GLN 4 -3.671 4.278 2.828 28 HE21 GLN 4 1HE2 GLN 4 -3.702 1.654 1.785 29 HE22 GLN 4 2HE2 GLN 4 -3.941 0.551 3.092 30 H GLU 5 H GLU 5 -4.595 7.109 4.230 31 HA GLU 5 HA GLU 5 -2.921 8.694 2.715 32 HB2 GLU 5 2HB GLU 5 -3.041 7.832 5.533 33 HB3 GLU 5 1HB GLU 5 -1.713 8.819 4.921 34 HG2 GLU 5 2HG GLU 5 -4.486 9.475 4.339 35 HG3 GLU 5 1HG GLU 5 -3.815 9.994 5.897 36 H LYS 6 H LYS 6 -0.660 8.728 2.999 37 HA LYS 6 HA LYS 6 0.467 6.434 1.816 38 HB2 LYS 6 2HB LYS 6 2.642 7.694 1.932 39 HB3 LYS 6 1HB LYS 6 1.340 8.537 1.109 40 HG2 LYS 6 2HG LYS 6 0.863 9.605 3.234 41 HG3 LYS 6 1HG LYS 6 2.427 9.074 3.854 42 HD2 LYS 6 2HD LYS 6 1.972 10.808 1.396 43 HD3 LYS 6 1HD LYS 6 2.432 11.431 2.973 44 HE2 LYS 6 2HE LYS 6 4.549 10.104 2.807 45 HE3 LYS 6 1HE LYS 6 4.018 9.603 1.200 46 HZ1 LYS 6 3HZ LYS 6 4.158 11.765 0.388 47 HZ2 LYS 6 1HZ LYS 6 5.582 11.519 1.223 48 HZ3 LYS 6 2HZ LYS 6 4.360 12.455 1.900 49 H TRP 7 H TRP 7 0.868 7.816 5.049 50 HA TRP 7 HA TRP 7 2.710 5.711 5.684 51 HB2 TRP 7 2HB TRP 7 1.585 7.930 7.389 52 HB3 TRP 7 1HB TRP 7 2.820 6.790 7.932 53 HD1 TRP 7 HD TRP 7 2.454 10.077 6.297 54 HE1 TRP 7 1HE TRP 7 4.718 10.879 5.323 55 HE3 TRP 7 3HE TRP 7 5.090 5.740 6.606 56 HZ2 TRP 7 2HZ TRP 7 7.223 9.831 4.761 57 HZ3 TRP 7 3HZ TRP 7 7.433 5.727 5.799 58 HH2 TRP 7 HH TRP 7 8.448 7.745 4.899 59 H GLU 8 H GLU 8 -0.102 4.988 5.058 60 HA GLU 8 HA GLU 8 -1.035 3.854 7.533 61 HB2 GLU 8 2HB GLU 8 -2.148 3.733 4.745 62 HB3 GLU 8 1HB GLU 8 -2.851 2.894 6.119 63 HG2 GLU 8 2HG GLU 8 -2.569 5.853 5.736 64 HG3 GLU 8 1HG GLU 8 -4.056 4.896 5.760 65 H TYR 9 H TYR 9 -1.761 1.531 7.316 66 HA TYR 9 HA TYR 9 0.446 -0.058 7.586 67 HB2 TYR 9 2HB TYR 9 -2.259 -1.143 6.818 68 HB3 TYR 9 1HB TYR 9 -1.030 -1.898 7.824 69 HD1 TYR 9 1HD TYR 9 -0.487 -0.827 10.067 70 HD2 TYR 9 2HD TYR 9 -3.896 0.235 7.765 71 HE1 TYR 9 1HE TYR 9 -1.494 0.168 12.039 72 HE2 TYR 9 2HE TYR 9 -4.931 1.232 9.724 73 HH TYR 9 HH TYR 9 -4.812 1.150 12.110 74 H CYS 10 H CYS 10 -1.716 0.107 4.784 75 HA CYS 10 HA CYS 10 -1.450 -0.274 2.573 76 HB2 CYS 10 2HB CYS 10 0.716 0.914 2.785 77 HB3 CYS 10 1HB CYS 10 1.511 -0.614 3.150 78 H ILE 11 H ILE 11 -1.066 -2.581 4.798 79 HA ILE 11 HA ILE 11 -0.487 -4.711 2.894 80 HB ILE 11 HB ILE 11 -0.413 -6.218 4.855 81 HG12 ILE 11 2HG1 ILE 11 -0.807 -3.691 6.488 82 HG13 ILE 11 1HG1 ILE 11 -2.001 -4.970 6.301 83 HG21 ILE 11 1HG2 ILE 11 1.662 -5.327 5.819 84 HG22 ILE 11 2HG2 ILE 11 1.320 -3.764 5.076 85 HG23 ILE 11 3HG2 ILE 11 1.621 -5.176 4.062 86 HD11 ILE 11 3HD1 ILE 11 -0.506 -6.531 7.429 87 HD12 ILE 11 1HD1 ILE 11 -0.838 -5.125 8.437 88 HD13 ILE 11 2HD1 ILE 11 0.704 -5.260 7.592 89 H VAL 12 H VAL 12 -1.874 -6.795 3.537 90 HA VAL 12 HA VAL 12 -4.668 -5.900 3.443 91 HB VAL 12 HB VAL 12 -3.517 -8.447 2.282 92 HG11 VAL 12 1HG1 VAL 12 -5.845 -8.690 2.942 93 HG12 VAL 12 2HG1 VAL 12 -5.704 -8.683 1.184 94 HG13 VAL 12 3HG1 VAL 12 -6.273 -7.244 2.028 95 HG21 VAL 12 3HG2 VAL 12 -3.909 -7.441 0.089 96 HG22 VAL 12 1HG2 VAL 12 -2.734 -6.520 1.028 97 HG23 VAL 12 2HG2 VAL 12 -4.394 -5.937 0.869 98 HA PRO 13 HA PRO 13 -4.472 -8.351 7.298 99 HB2 PRO 13 2HB PRO 13 -6.602 -6.539 8.157 100 HB3 PRO 13 1HB PRO 13 -5.008 -6.775 8.876 101 HG2 PRO 13 2HG PRO 13 -5.667 -4.488 7.617 102 HG3 PRO 13 1HG PRO 13 -4.029 -5.163 7.560 103 HD2 PRO 13 2HD PRO 13 -6.202 -5.355 5.506 104 HD3 PRO 13 1HD PRO 13 -4.478 -4.961 5.300 105 H ILE 14 H ILE 14 -7.239 -7.042 5.591 106 HA ILE 14 HA ILE 14 -8.645 -9.561 5.606 107 HB ILE 14 HB ILE 14 -10.785 -8.335 6.240 108 HG12 ILE 14 2HG1 ILE 14 -8.819 -6.267 7.268 109 HG13 ILE 14 1HG1 ILE 14 -10.004 -6.042 5.991 110 HG21 ILE 14 1HG2 ILE 14 -8.732 -8.684 8.412 111 HG22 ILE 14 2HG2 ILE 14 -9.812 -9.921 7.771 112 HG23 ILE 14 3HG2 ILE 14 -10.472 -8.551 8.665 113 HD11 ILE 14 3HD1 ILE 14 -10.715 -4.990 8.052 114 HD12 ILE 14 1HD1 ILE 14 -10.598 -6.533 8.899 115 HD13 ILE 14 2HD1 ILE 14 -11.800 -6.317 7.629 116 H LEU 15 H LEU 15 -10.543 -9.325 4.073 117 HA LEU 15 HA LEU 15 -9.634 -7.721 1.873 118 HB2 LEU 15 2HB LEU 15 -11.443 -8.782 0.543 119 HB3 LEU 15 1HB LEU 15 -10.349 -9.925 1.275 120 HG LEU 15 HG LEU 15 -12.139 -10.328 3.035 121 HD11 LEU 15 1HD1 LEU 15 -13.470 -8.321 2.704 122 HD12 LEU 15 2HD1 LEU 15 -14.426 -9.782 2.470 123 HD13 LEU 15 3HD1 LEU 15 -13.882 -8.854 1.073 124 HD21 LEU 15 3HD2 LEU 15 -13.418 -11.807 1.582 125 HD22 LEU 15 1HD2 LEU 15 -11.692 -11.882 1.237 126 HD23 LEU 15 2HD2 LEU 15 -12.766 -10.980 0.167 127 H GLY 16 H GLY 16 -11.418 -6.563 0.555 128 HA2 GLY 16 2HA GLY 16 -12.850 -4.766 0.464 129 HA3 GLY 16 1HA GLY 16 -13.443 -5.231 2.062 130 H PHE 17 H PHE 17 -10.151 -4.603 1.198 131 HA PHE 17 HA PHE 17 -9.968 -2.701 3.359 132 HB2 PHE 17 2HB PHE 17 -7.526 -2.848 3.008 133 HB3 PHE 17 1HB PHE 17 -8.249 -4.429 3.246 134 HD1 PHE 17 2HD PHE 17 -8.379 -6.023 1.385 135 HD2 PHE 17 1HD PHE 17 -6.501 -2.231 0.912 136 HE1 PHE 17 2HE PHE 17 -7.321 -6.807 -0.690 137 HE2 PHE 17 1HE PHE 17 -5.439 -3.018 -1.164 138 HZ PHE 17 HZ PHE 17 -5.848 -5.305 -1.965 139 H VAL 18 H VAL 18 -8.519 -0.817 2.946 140 HA VAL 18 HA VAL 18 -9.279 0.509 0.445 141 HB VAL 18 HB VAL 18 -8.328 1.740 3.066 142 HG11 VAL 18 1HG1 VAL 18 -7.885 3.143 1.122 143 HG12 VAL 18 2HG1 VAL 18 -9.130 3.855 2.148 144 HG13 VAL 18 3HG1 VAL 18 -9.582 3.039 0.652 145 HG21 VAL 18 3HG2 VAL 18 -10.503 0.650 3.359 146 HG22 VAL 18 1HG2 VAL 18 -11.147 1.571 2.004 147 HG23 VAL 18 2HG2 VAL 18 -10.639 2.403 3.478 148 H TYR 19 H TYR 19 -7.544 1.531 -0.733 149 HA TYR 19 HA TYR 19 -4.902 0.545 0.069 150 HB2 TYR 19 2HB TYR 19 -5.936 -0.309 -2.118 151 HB3 TYR 19 1HB TYR 19 -5.739 1.324 -2.734 152 HD1 TYR 19 1HD TYR 19 -3.816 -1.494 -1.241 153 HD2 TYR 19 2HD TYR 19 -3.701 1.926 -3.775 154 HE1 TYR 19 1HE TYR 19 -1.549 -2.086 -1.912 155 HE2 TYR 19 2HE TYR 19 -1.413 1.339 -4.459 156 HH TYR 19 HH TYR 19 -0.080 -1.688 -3.861 157 H CYS 20 H CYS 20 -3.072 2.063 -0.732 158 HA CYS 20 HA CYS 20 -3.778 4.612 0.347 159 HB2 CYS 20 2HB CYS 20 -1.402 5.203 0.159 160 HB3 CYS 20 1HB CYS 20 -1.611 3.661 0.968 161 H CYS 21 H CYS 21 -3.689 6.499 -0.552 162 HA CYS 21 HA CYS 21 -4.941 6.958 -2.909 163 HB2 CYS 21 2HB CYS 21 -3.068 8.666 -1.349 164 HB3 CYS 21 1HB CYS 21 -4.067 9.283 -2.695 165 HA PRO 22 HA PRO 22 -2.247 6.660 -6.397 166 HB2 PRO 22 2HB PRO 22 -3.195 8.742 -7.919 167 HB3 PRO 22 1HB PRO 22 -4.028 7.192 -7.767 168 HG2 PRO 22 2HG PRO 22 -4.564 9.772 -6.365 169 HG3 PRO 22 1HG PRO 22 -5.711 8.587 -7.016 170 HD2 PRO 22 2HD PRO 22 -5.103 8.752 -4.373 171 HD3 PRO 22 1HD PRO 22 -5.529 7.218 -5.152 172 H GLY 23 H GLY 23 -0.280 7.369 -6.838 173 HA2 GLY 23 2HA GLY 23 1.360 9.061 -7.230 174 HA3 GLY 23 1HA GLY 23 0.471 10.122 -6.141 175 H LEU 24 H LEU 24 0.630 7.008 -4.927 176 HA LEU 24 HA LEU 24 2.954 7.721 -3.265 177 HB2 LEU 24 2HB LEU 24 0.697 5.985 -2.254 178 HB3 LEU 24 1HB LEU 24 1.982 6.738 -1.408 179 HG LEU 24 HG LEU 24 -0.154 8.394 -2.707 180 HD11 LEU 24 1HD1 LEU 24 -1.223 7.062 -1.089 181 HD12 LEU 24 2HD1 LEU 24 -1.003 8.669 -0.380 182 HD13 LEU 24 3HD1 LEU 24 0.075 7.330 0.066 183 HD21 LEU 24 3HD2 LEU 24 1.889 9.603 -2.355 184 HD22 LEU 24 1HD2 LEU 24 2.016 9.011 -0.698 185 HD23 LEU 24 2HD2 LEU 24 0.717 10.114 -1.142 186 H ILE 25 H ILE 25 4.158 5.978 -2.543 187 HA ILE 25 HA ILE 25 3.778 3.501 -4.074 188 HB ILE 25 HB ILE 25 6.247 3.216 -4.055 189 HG12 ILE 25 2HG1 ILE 25 6.294 6.141 -3.263 190 HG13 ILE 25 1HG1 ILE 25 6.766 4.797 -2.232 191 HG21 ILE 25 1HG2 ILE 25 5.180 5.614 -5.542 192 HG22 ILE 25 2HG2 ILE 25 5.125 3.934 -6.075 193 HG23 ILE 25 3HG2 ILE 25 6.675 4.769 -5.941 194 HD11 ILE 25 3HD1 ILE 25 8.114 5.615 -4.795 195 HD12 ILE 25 1HD1 ILE 25 8.597 4.278 -3.750 196 HD13 ILE 25 2HD1 ILE 25 8.693 5.936 -3.160 197 H CYS 26 H CYS 26 4.069 1.611 -2.987 198 HA CYS 26 HA CYS 26 4.248 1.870 -0.087 199 HB2 CYS 26 2HB CYS 26 2.381 0.662 -1.265 200 HB3 CYS 26 1HB CYS 26 3.548 -0.581 -1.727 201 H GLY 27 H GLY 27 6.248 1.969 0.496 202 HA2 GLY 27 2HA GLY 27 8.238 0.439 -1.037 203 HA3 GLY 27 1HA GLY 27 8.546 1.898 -0.110 204 HA PRO 28 HA PRO 28 10.317 -0.401 3.105 205 HB2 PRO 28 2HB PRO 28 9.381 0.877 5.344 206 HB3 PRO 28 1HB PRO 28 10.663 1.510 4.307 207 HG2 PRO 28 2HG PRO 28 7.739 2.170 4.304 208 HG3 PRO 28 1HG PRO 28 9.123 3.274 4.208 209 HD2 PRO 28 2HD PRO 28 7.767 2.612 2.023 210 HD3 PRO 28 1HD PRO 28 9.539 2.746 1.981 211 H PHE 29 H PHE 29 6.878 0.148 3.403 212 HA PHE 29 HA PHE 29 6.100 -2.450 3.986 213 HB2 PHE 29 2HB PHE 29 7.255 -1.985 6.178 214 HB3 PHE 29 1HB PHE 29 6.218 -0.587 6.389 215 HD1 PHE 29 2HD PHE 29 3.768 -0.962 6.680 216 HD2 PHE 29 1HD PHE 29 6.581 -4.110 6.835 217 HE1 PHE 29 2HE PHE 29 2.118 -2.349 7.892 218 HE2 PHE 29 1HE PHE 29 4.953 -5.520 8.043 219 HZ PHE 29 HZ PHE 29 2.722 -4.637 8.576 220 H VAL 30 H VAL 30 5.769 0.952 4.567 221 HA VAL 30 HA VAL 30 2.894 0.893 4.116 222 HB VAL 30 HB VAL 30 2.940 3.132 5.207 223 HG11 VAL 30 1HG1 VAL 30 4.319 1.006 6.847 224 HG12 VAL 30 2HG1 VAL 30 2.576 1.121 6.577 225 HG13 VAL 30 3HG1 VAL 30 3.415 2.384 7.478 226 HG21 VAL 30 3HG2 VAL 30 5.011 3.820 6.392 227 HG22 VAL 30 1HG2 VAL 30 5.178 3.860 4.630 228 HG23 VAL 30 2HG2 VAL 30 5.872 2.533 5.558 229 H CYS 31 H CYS 31 2.271 3.166 3.140 230 HA CYS 31 HA CYS 31 3.765 3.479 0.660 231 HB2 CYS 31 2HB CYS 31 1.107 4.571 1.591 232 HB3 CYS 31 1HB CYS 31 1.836 4.971 0.029 233 H VAL 32 H VAL 32 3.727 5.907 -0.041 234 HA VAL 32 HA VAL 32 4.525 7.855 1.675 235 HB VAL 32 HB VAL 32 6.300 6.393 2.474 236 HG11 VAL 32 1HG1 VAL 32 8.094 5.564 0.976 237 HG12 VAL 32 2HG1 VAL 32 7.200 6.188 -0.411 238 HG13 VAL 32 3HG1 VAL 32 6.520 4.886 0.563 239 HG21 VAL 32 3HG2 VAL 32 8.265 7.770 1.972 240 HG22 VAL 32 1HG2 VAL 32 6.833 8.728 2.337 241 HG23 VAL 32 2HG2 VAL 32 7.370 8.553 0.663 Start of MODEL 16 1 H1 ARG 1 H ARG 1 -9.846 12.049 -0.848 2 HA ARG 1 HA ARG 1 -11.784 10.917 -2.591 3 HB2 ARG 1 2HB ARG 1 -8.861 10.375 -3.113 4 HB3 ARG 1 1HB ARG 1 -10.210 9.516 -3.825 5 HG2 ARG 1 2HG ARG 1 -9.550 12.423 -4.264 6 HG3 ARG 1 1HG ARG 1 -9.206 11.113 -5.386 7 HD2 ARG 1 2HD ARG 1 -11.167 12.117 -6.202 8 HD3 ARG 1 1HD ARG 1 -11.706 10.663 -5.378 9 HE ARG 1 HE ARG 1 -11.754 12.804 -3.581 10 HH11 ARG 1 1HH1 ARG 1 -13.524 11.595 -6.402 11 HH12 ARG 1 2HH1 ARG 1 -14.987 12.377 -6.013 12 HH21 ARG 1 1HH2 ARG 1 -13.782 13.890 -3.044 13 HH22 ARG 1 2HH2 ARG 1 -15.117 13.746 -4.096 14 H ASP 2 H ASP 2 -12.124 8.805 -2.188 15 HA ASP 2 HA ASP 2 -11.411 8.159 0.504 16 HB2 ASP 2 2HB ASP 2 -13.436 7.051 -1.389 17 HB3 ASP 2 1HB ASP 2 -12.990 6.166 0.063 18 H CYS 3 H CYS 3 -9.339 7.825 0.246 19 HA CYS 3 HA CYS 3 -8.601 5.080 -0.331 20 HB2 CYS 3 2HB CYS 3 -6.535 5.935 -1.484 21 HB3 CYS 3 1HB CYS 3 -8.012 6.177 -2.409 22 H GLN 4 H GLN 4 -6.144 4.974 0.483 23 HA GLN 4 HA GLN 4 -6.401 6.280 3.075 24 HB2 GLN 4 2HB GLN 4 -5.367 4.432 4.123 25 HB3 GLN 4 1HB GLN 4 -6.505 3.793 2.947 26 HG2 GLN 4 2HG GLN 4 -4.854 3.242 1.445 27 HG3 GLN 4 1HG GLN 4 -3.589 4.005 2.412 28 HE21 GLN 4 1HE2 GLN 4 -3.889 1.221 1.552 29 HE22 GLN 4 2HE2 GLN 4 -3.885 0.299 3.018 30 H GLU 5 H GLU 5 -4.614 6.948 4.094 31 HA GLU 5 HA GLU 5 -2.991 8.536 2.426 32 HB2 GLU 5 2HB GLU 5 -2.940 8.044 5.373 33 HB3 GLU 5 1HB GLU 5 -1.914 9.232 4.558 34 HG2 GLU 5 2HG GLU 5 -3.935 10.385 3.790 35 HG3 GLU 5 1HG GLU 5 -4.917 9.200 4.649 36 H LYS 6 H LYS 6 -0.629 8.715 2.966 37 HA LYS 6 HA LYS 6 0.485 6.382 1.929 38 HB2 LYS 6 2HB LYS 6 2.656 7.649 1.923 39 HB3 LYS 6 1HB LYS 6 1.324 8.475 1.127 40 HG2 LYS 6 2HG LYS 6 0.937 9.548 3.321 41 HG3 LYS 6 1HG LYS 6 2.572 9.086 3.771 42 HD2 LYS 6 2HD LYS 6 1.793 10.796 1.382 43 HD3 LYS 6 1HD LYS 6 2.422 11.422 2.896 44 HE2 LYS 6 2HE LYS 6 4.523 10.158 2.483 45 HE3 LYS 6 1HE LYS 6 3.848 9.640 0.937 46 HZ1 LYS 6 3HZ LYS 6 3.693 11.982 0.276 47 HZ2 LYS 6 1HZ LYS 6 5.269 11.526 0.628 48 HZ3 LYS 6 2HZ LYS 6 4.419 12.440 1.736 49 H TRP 7 H TRP 7 0.904 7.940 5.071 50 HA TRP 7 HA TRP 7 2.797 5.941 5.835 51 HB2 TRP 7 2HB TRP 7 1.583 8.201 7.413 52 HB3 TRP 7 1HB TRP 7 2.871 7.150 8.010 53 HD1 TRP 7 HD TRP 7 2.362 10.317 6.165 54 HE1 TRP 7 1HE TRP 7 4.572 11.107 5.077 55 HE3 TRP 7 3HE TRP 7 5.148 6.075 6.717 56 HZ2 TRP 7 2HZ TRP 7 7.107 10.109 4.553 57 HZ3 TRP 7 3HZ TRP 7 7.465 6.086 5.879 58 HH2 TRP 7 HH TRP 7 8.404 8.082 4.812 59 H GLU 8 H GLU 8 0.001 5.101 5.272 60 HA GLU 8 HA GLU 8 -0.930 4.058 7.815 61 HB2 GLU 8 2HB GLU 8 -1.928 3.789 4.985 62 HB3 GLU 8 1HB GLU 8 -2.641 2.926 6.335 63 HG2 GLU 8 2HG GLU 8 -2.500 5.895 5.950 64 HG3 GLU 8 1HG GLU 8 -3.927 4.862 5.810 65 H TYR 9 H TYR 9 -1.603 1.552 7.441 66 HA TYR 9 HA TYR 9 0.950 0.284 7.238 67 HB2 TYR 9 2HB TYR 9 -1.771 -0.971 7.667 68 HB3 TYR 9 1HB TYR 9 -0.228 -1.800 7.828 69 HD1 TYR 9 1HD TYR 9 1.433 -0.837 9.563 70 HD2 TYR 9 2HD TYR 9 -2.711 0.097 9.498 71 HE1 TYR 9 1HE TYR 9 1.569 -0.120 11.891 72 HE2 TYR 9 2HE TYR 9 -2.594 0.818 11.825 73 HH TYR 9 HH TYR 9 0.386 1.329 13.416 74 H CYS 10 H CYS 10 -1.337 1.102 5.006 75 HA CYS 10 HA CYS 10 -1.285 1.000 2.757 76 HB2 CYS 10 2HB CYS 10 1.079 1.078 2.873 77 HB3 CYS 10 1HB CYS 10 1.228 -0.631 3.258 78 H ILE 11 H ILE 11 -2.114 -1.364 4.712 79 HA ILE 11 HA ILE 11 -2.677 -3.404 2.692 80 HB ILE 11 HB ILE 11 -2.992 -3.521 5.707 81 HG12 ILE 11 2HG1 ILE 11 -0.880 -4.752 3.928 82 HG13 ILE 11 1HG1 ILE 11 -0.648 -3.346 4.958 83 HG21 ILE 11 1HG2 ILE 11 -3.195 -5.723 3.640 84 HG22 ILE 11 2HG2 ILE 11 -4.537 -5.040 4.557 85 HG23 ILE 11 3HG2 ILE 11 -3.270 -5.945 5.390 86 HD11 ILE 11 3HD1 ILE 11 -1.048 -4.705 6.926 87 HD12 ILE 11 1HD1 ILE 11 0.262 -5.372 5.950 88 HD13 ILE 11 2HD1 ILE 11 -1.340 -6.112 5.901 89 H VAL 12 H VAL 12 -4.677 -3.751 1.969 90 HA VAL 12 HA VAL 12 -6.901 -2.486 3.362 91 HB VAL 12 HB VAL 12 -8.093 -2.340 1.220 92 HG11 VAL 12 1HG1 VAL 12 -6.769 -0.433 1.840 93 HG12 VAL 12 2HG1 VAL 12 -6.745 -0.638 0.088 94 HG13 VAL 12 3HG1 VAL 12 -5.351 -1.124 1.052 95 HG21 VAL 12 3HG2 VAL 12 -7.176 -4.279 0.089 96 HG22 VAL 12 1HG2 VAL 12 -5.596 -3.502 -0.001 97 HG23 VAL 12 2HG2 VAL 12 -6.953 -2.842 -0.913 98 HA PRO 13 HA PRO 13 -8.656 -6.506 3.945 99 HB2 PRO 13 2HB PRO 13 -11.216 -5.858 2.648 100 HB3 PRO 13 1HB PRO 13 -10.872 -6.202 4.345 101 HG2 PRO 13 2HG PRO 13 -11.496 -3.741 3.545 102 HG3 PRO 13 1HG PRO 13 -10.277 -4.010 4.807 103 HD2 PRO 13 2HD PRO 13 -9.895 -3.444 1.889 104 HD3 PRO 13 1HD PRO 13 -9.089 -2.698 3.291 105 H ILE 14 H ILE 14 -7.326 -6.327 1.292 106 HA ILE 14 HA ILE 14 -8.709 -8.570 0.005 107 HB ILE 14 HB ILE 14 -7.342 -6.321 -1.527 108 HG12 ILE 14 2HG1 ILE 14 -10.307 -6.930 -1.347 109 HG13 ILE 14 1HG1 ILE 14 -9.511 -5.597 -0.521 110 HG21 ILE 14 1HG2 ILE 14 -7.197 -8.502 -2.622 111 HG22 ILE 14 2HG2 ILE 14 -8.283 -7.440 -3.517 112 HG23 ILE 14 3HG2 ILE 14 -8.944 -8.705 -2.482 113 HD11 ILE 14 3HD1 ILE 14 -8.919 -4.622 -2.684 114 HD12 ILE 14 1HD1 ILE 14 -10.661 -4.850 -2.527 115 HD13 ILE 14 2HD1 ILE 14 -9.711 -5.969 -3.502 116 H LEU 15 H LEU 15 -7.320 -10.249 -0.151 117 HA LEU 15 HA LEU 15 -4.575 -9.857 0.549 118 HB2 LEU 15 2HB LEU 15 -6.114 -12.315 -0.236 119 HB3 LEU 15 1HB LEU 15 -4.377 -12.353 -0.072 120 HG LEU 15 HG LEU 15 -5.297 -13.238 1.914 121 HD11 LEU 15 1HD1 LEU 15 -3.379 -11.819 2.255 122 HD12 LEU 15 2HD1 LEU 15 -4.471 -11.767 3.637 123 HD13 LEU 15 3HD1 LEU 15 -4.433 -10.423 2.503 124 HD21 LEU 15 3HD2 LEU 15 -6.976 -10.753 2.118 125 HD22 LEU 15 1HD2 LEU 15 -6.863 -12.015 3.347 126 HD23 LEU 15 2HD2 LEU 15 -7.546 -12.385 1.762 127 H GLY 16 H GLY 16 -2.914 -9.610 -0.643 128 HA2 GLY 16 2HA GLY 16 -1.512 -9.788 -2.476 129 HA3 GLY 16 1HA GLY 16 -2.841 -10.469 -3.391 130 H PHE 17 H PHE 17 -4.222 -7.886 -2.115 131 HA PHE 17 HA PHE 17 -3.184 -6.092 -4.169 132 HB2 PHE 17 2HB PHE 17 -5.339 -7.157 -4.864 133 HB3 PHE 17 1HB PHE 17 -6.100 -6.453 -3.448 134 HD1 PHE 17 1HD PHE 17 -4.547 -5.731 -6.692 135 HD2 PHE 17 2HD PHE 17 -6.773 -4.158 -3.434 136 HE1 PHE 17 1HE PHE 17 -5.058 -3.728 -8.018 137 HE2 PHE 17 2HE PHE 17 -7.285 -2.146 -4.761 138 HZ PHE 17 HZ PHE 17 -6.428 -1.931 -7.050 139 H VAL 18 H VAL 18 -2.236 -4.547 -3.014 140 HA VAL 18 HA VAL 18 -3.777 -3.429 -0.814 141 HB VAL 18 HB VAL 18 -1.659 -2.858 0.374 142 HG11 VAL 18 1HG1 VAL 18 -1.140 -5.094 1.228 143 HG12 VAL 18 2HG1 VAL 18 -1.990 -5.806 -0.142 144 HG13 VAL 18 3HG1 VAL 18 -2.879 -4.851 1.041 145 HG21 VAL 18 3HG2 VAL 18 -0.318 -4.626 -1.680 146 HG22 VAL 18 1HG2 VAL 18 0.453 -3.966 -0.239 147 HG23 VAL 18 2HG2 VAL 18 -0.102 -2.884 -1.518 148 H TYR 19 H TYR 19 -4.114 -1.275 -0.919 149 HA TYR 19 HA TYR 19 -2.467 0.184 -2.786 150 HB2 TYR 19 2HB TYR 19 -4.341 1.186 -3.939 151 HB3 TYR 19 1HB TYR 19 -4.474 -0.559 -4.055 152 HD1 TYR 19 2HD TYR 19 -6.266 -1.721 -2.818 153 HD2 TYR 19 1HD TYR 19 -5.973 2.513 -2.795 154 HE1 TYR 19 2HE TYR 19 -8.559 -1.578 -1.983 155 HE2 TYR 19 1HE TYR 19 -8.275 2.678 -1.955 156 HH TYR 19 HH TYR 19 -10.319 1.279 -1.986 157 H CYS 20 H CYS 20 -2.742 2.463 -2.603 158 HA CYS 20 HA CYS 20 -4.119 3.565 -0.300 159 HB2 CYS 20 2HB CYS 20 -2.056 4.939 0.243 160 HB3 CYS 20 1HB CYS 20 -1.873 3.235 0.625 161 H CYS 21 H CYS 21 -3.587 6.136 -0.638 162 HA CYS 21 HA CYS 21 -4.975 6.824 -2.932 163 HB2 CYS 21 2HB CYS 21 -3.118 8.376 -1.187 164 HB3 CYS 21 1HB CYS 21 -4.083 9.151 -2.475 165 HA PRO 22 HA PRO 22 -2.171 6.665 -6.301 166 HB2 PRO 22 2HB PRO 22 -2.953 8.797 -7.815 167 HB3 PRO 22 1HB PRO 22 -3.874 7.294 -7.716 168 HG2 PRO 22 2HG PRO 22 -4.298 9.878 -6.282 169 HG3 PRO 22 1HG PRO 22 -5.492 8.788 -7.013 170 HD2 PRO 22 2HD PRO 22 -5.002 8.844 -4.344 171 HD3 PRO 22 1HD PRO 22 -5.478 7.359 -5.177 172 H GLY 23 H GLY 23 -0.265 7.433 -6.975 173 HA2 GLY 23 2HA GLY 23 1.369 9.106 -7.360 174 HA3 GLY 23 1HA GLY 23 0.612 10.096 -6.119 175 H LEU 24 H LEU 24 0.412 7.511 -4.552 176 HA LEU 24 HA LEU 24 2.955 7.885 -3.177 177 HB2 LEU 24 2HB LEU 24 0.758 6.048 -2.253 178 HB3 LEU 24 1HB LEU 24 2.003 6.839 -1.365 179 HG LEU 24 HG LEU 24 -0.218 8.389 -2.642 180 HD11 LEU 24 1HD1 LEU 24 -1.123 8.555 -0.361 181 HD12 LEU 24 2HD1 LEU 24 0.048 7.319 0.145 182 HD13 LEU 24 3HD1 LEU 24 -1.184 6.937 -1.047 183 HD21 LEU 24 3HD2 LEU 24 1.924 9.102 -0.634 184 HD22 LEU 24 1HD2 LEU 24 0.550 10.138 -1.049 185 HD23 LEU 24 2HD2 LEU 24 1.741 9.707 -2.271 186 H ILE 25 H ILE 25 4.108 6.042 -2.484 187 HA ILE 25 HA ILE 25 3.714 3.623 -4.082 188 HB ILE 25 HB ILE 25 6.225 3.363 -4.085 189 HG12 ILE 25 2HG1 ILE 25 6.190 6.296 -3.309 190 HG13 ILE 25 1HG1 ILE 25 6.711 4.978 -2.272 191 HG21 ILE 25 1HG2 ILE 25 5.078 5.697 -5.594 192 HG22 ILE 25 2HG2 ILE 25 5.092 4.008 -6.105 193 HG23 ILE 25 3HG2 ILE 25 6.605 4.906 -5.973 194 HD11 ILE 25 3HD1 ILE 25 8.014 5.810 -4.851 195 HD12 ILE 25 1HD1 ILE 25 8.557 4.513 -3.786 196 HD13 ILE 25 2HD1 ILE 25 8.589 6.186 -3.226 197 H CYS 26 H CYS 26 3.887 1.767 -2.934 198 HA CYS 26 HA CYS 26 4.200 2.022 -0.057 199 HB2 CYS 26 2HB CYS 26 2.391 0.727 -1.260 200 HB3 CYS 26 1HB CYS 26 3.610 -0.506 -1.624 201 H GLY 27 H GLY 27 6.179 2.220 0.522 202 HA2 GLY 27 2HA GLY 27 8.288 1.091 -1.102 203 HA3 GLY 27 1HA GLY 27 8.504 2.253 0.188 204 HA PRO 28 HA PRO 28 9.838 -1.135 2.620 205 HB2 PRO 28 2HB PRO 28 8.997 -0.042 5.140 206 HB3 PRO 28 1HB PRO 28 10.601 -0.007 4.424 207 HG2 PRO 28 2HG PRO 28 8.994 2.233 4.787 208 HG3 PRO 28 1HG PRO 28 10.361 2.127 3.673 209 HD2 PRO 28 2HD PRO 28 7.441 1.936 3.116 210 HD3 PRO 28 1HD PRO 28 8.743 2.605 2.119 211 H PHE 29 H PHE 29 7.129 -0.065 4.607 212 HA PHE 29 HA PHE 29 5.627 -2.476 3.861 213 HB2 PHE 29 2HB PHE 29 6.689 -2.754 6.112 214 HB3 PHE 29 1HB PHE 29 5.883 -1.283 6.636 215 HD1 PHE 29 1HD PHE 29 5.256 -4.728 5.443 216 HD2 PHE 29 2HD PHE 29 3.708 -1.364 7.529 217 HE1 PHE 29 1HE PHE 29 3.338 -6.076 6.178 218 HE2 PHE 29 2HE PHE 29 1.780 -2.705 8.269 219 HZ PHE 29 HZ PHE 29 1.593 -5.059 7.598 220 H VAL 30 H VAL 30 5.816 0.874 4.438 221 HA VAL 30 HA VAL 30 2.915 1.196 4.337 222 HB VAL 30 HB VAL 30 3.284 3.397 5.341 223 HG11 VAL 30 1HG1 VAL 30 4.083 2.711 7.563 224 HG12 VAL 30 2HG1 VAL 30 4.660 1.192 6.867 225 HG13 VAL 30 3HG1 VAL 30 2.937 1.567 6.866 226 HG21 VAL 30 3HG2 VAL 30 6.209 2.650 5.326 227 HG22 VAL 30 1HG2 VAL 30 5.533 4.038 6.186 228 HG23 VAL 30 2HG2 VAL 30 5.448 3.960 4.427 229 H CYS 31 H CYS 31 2.342 3.316 3.243 230 HA CYS 31 HA CYS 31 3.778 3.604 0.723 231 HB2 CYS 31 2HB CYS 31 1.173 4.663 1.774 232 HB3 CYS 31 1HB CYS 31 1.869 5.218 0.234 233 H VAL 32 H VAL 32 3.876 5.928 0.034 234 HA VAL 32 HA VAL 32 4.629 7.939 1.717 235 HB VAL 32 HB VAL 32 6.400 6.505 2.585 236 HG11 VAL 32 1HG1 VAL 32 7.346 6.200 -0.282 237 HG12 VAL 32 2HG1 VAL 32 6.619 4.931 0.705 238 HG13 VAL 32 3HG1 VAL 32 8.195 5.593 1.142 239 HG21 VAL 32 3HG2 VAL 32 7.480 8.579 0.694 240 HG22 VAL 32 1HG2 VAL 32 8.390 7.852 2.021 241 HG23 VAL 32 2HG2 VAL 32 6.958 8.823 2.362 Start of MODEL 17 1 H1 ARG 1 H ARG 1 -12.751 9.421 -3.453 2 HA ARG 1 HA ARG 1 -13.261 6.849 -4.198 3 HB2 ARG 1 2HB ARG 1 -10.455 7.730 -4.877 4 HB3 ARG 1 1HB ARG 1 -10.971 6.054 -4.751 5 HG2 ARG 1 2HG ARG 1 -12.110 8.057 -6.688 6 HG3 ARG 1 1HG ARG 1 -10.860 6.872 -7.071 7 HD2 ARG 1 2HD ARG 1 -13.649 6.232 -6.101 8 HD3 ARG 1 1HD ARG 1 -13.097 6.130 -7.769 9 HE ARG 1 HE ARG 1 -11.328 4.588 -6.489 10 HH11 ARG 1 1HH1 ARG 1 -14.870 4.573 -6.464 11 HH12 ARG 1 2HH1 ARG 1 -14.977 2.899 -6.196 12 HH21 ARG 1 1HH2 ARG 1 -11.474 2.349 -6.101 13 HH22 ARG 1 2HH2 ARG 1 -12.989 1.590 -5.978 14 H ASP 2 H ASP 2 -12.587 5.421 -2.631 15 HA ASP 2 HA ASP 2 -11.717 6.726 -0.195 16 HB2 ASP 2 2HB ASP 2 -13.698 5.387 0.042 17 HB3 ASP 2 1HB ASP 2 -12.908 3.996 -0.690 18 H CYS 3 H CYS 3 -9.617 6.916 -0.141 19 HA CYS 3 HA CYS 3 -8.064 4.476 -0.357 20 HB2 CYS 3 2HB CYS 3 -6.247 5.744 -1.435 21 HB3 CYS 3 1HB CYS 3 -7.694 5.710 -2.434 22 H GLN 4 H GLN 4 -5.894 4.830 0.699 23 HA GLN 4 HA GLN 4 -6.367 6.383 3.146 24 HB2 GLN 4 2HB GLN 4 -5.256 4.664 4.393 25 HB3 GLN 4 1HB GLN 4 -6.379 3.906 3.275 26 HG2 GLN 4 2HG GLN 4 -4.676 3.307 1.786 27 HG3 GLN 4 1HG GLN 4 -3.455 4.098 2.782 28 HE21 GLN 4 1HE2 GLN 4 -3.750 1.351 1.969 29 HE22 GLN 4 2HE2 GLN 4 -3.822 0.430 3.460 30 H GLU 5 H GLU 5 -4.505 7.130 4.195 31 HA GLU 5 HA GLU 5 -2.943 8.643 2.411 32 HB2 GLU 5 2HB GLU 5 -2.879 8.271 5.365 33 HB3 GLU 5 1HB GLU 5 -1.783 9.391 4.528 34 HG2 GLU 5 2HG GLU 5 -3.854 10.509 3.650 35 HG3 GLU 5 1HG GLU 5 -4.774 9.464 4.716 36 H LYS 6 H LYS 6 -0.489 8.811 3.008 37 HA LYS 6 HA LYS 6 0.416 6.372 1.933 38 HB2 LYS 6 2HB LYS 6 2.476 7.386 1.403 39 HB3 LYS 6 1HB LYS 6 1.228 8.587 1.182 40 HG2 LYS 6 2HG LYS 6 1.949 9.242 3.594 41 HG3 LYS 6 1HG LYS 6 3.457 8.506 3.104 42 HD2 LYS 6 2HD LYS 6 3.201 9.938 0.913 43 HD3 LYS 6 1HD LYS 6 1.978 10.767 1.915 44 HE2 LYS 6 2HE LYS 6 3.569 11.374 3.477 45 HE3 LYS 6 1HE LYS 6 4.846 10.516 2.597 46 HZ1 LYS 6 3HZ LYS 6 4.861 12.904 2.145 47 HZ2 LYS 6 1HZ LYS 6 3.286 12.832 1.572 48 HZ3 LYS 6 2HZ LYS 6 4.527 12.050 0.746 49 H TRP 7 H TRP 7 0.999 7.939 5.014 50 HA TRP 7 HA TRP 7 2.785 5.834 5.835 51 HB2 TRP 7 2HB TRP 7 1.616 8.123 7.421 52 HB3 TRP 7 1HB TRP 7 2.932 7.079 7.944 53 HD1 TRP 7 HD TRP 7 2.272 10.231 5.957 54 HE1 TRP 7 1HE TRP 7 4.418 11.100 4.979 55 HE3 TRP 7 3HE TRP 7 5.290 6.193 6.866 56 HZ2 TRP 7 2HZ TRP 7 7.062 10.254 4.617 57 HZ3 TRP 7 3HZ TRP 7 7.639 6.340 6.122 58 HH2 TRP 7 HH TRP 7 8.494 8.322 5.039 59 H GLU 8 H GLU 8 -0.039 5.256 5.191 60 HA GLU 8 HA GLU 8 -1.164 4.360 7.701 61 HB2 GLU 8 2HB GLU 8 -2.129 4.248 4.867 62 HB3 GLU 8 1HB GLU 8 -2.954 3.419 6.178 63 HG2 GLU 8 2HG GLU 8 -2.465 6.367 5.960 64 HG3 GLU 8 1HG GLU 8 -3.992 5.503 5.702 65 H TYR 9 H TYR 9 -2.266 2.001 7.119 66 HA TYR 9 HA TYR 9 -0.142 0.253 7.619 67 HB2 TYR 9 2HB TYR 9 -2.930 -0.461 6.739 68 HB3 TYR 9 1HB TYR 9 -1.774 -1.516 7.538 69 HD1 TYR 9 2HD TYR 9 -0.855 -0.461 9.848 70 HD2 TYR 9 1HD TYR 9 -4.592 0.418 8.041 71 HE1 TYR 9 2HE TYR 9 -1.729 0.218 12.016 72 HE2 TYR 9 1HE TYR 9 -5.489 1.113 10.208 73 HH TYR 9 HH TYR 9 -3.542 1.699 12.879 74 H CYS 10 H CYS 10 -1.538 1.267 4.643 75 HA CYS 10 HA CYS 10 -1.330 0.684 2.464 76 HB2 CYS 10 2HB CYS 10 1.031 1.233 2.852 77 HB3 CYS 10 1HB CYS 10 1.340 -0.415 3.401 78 H ILE 11 H ILE 11 -2.888 -0.717 2.033 79 HA ILE 11 HA ILE 11 -2.581 -3.441 3.033 80 HB ILE 11 HB ILE 11 -5.071 -2.029 1.997 81 HG12 ILE 11 2HG1 ILE 11 -4.271 -2.773 4.821 82 HG13 ILE 11 1HG1 ILE 11 -4.203 -1.150 4.156 83 HG21 ILE 11 1HG2 ILE 11 -6.290 -3.966 2.921 84 HG22 ILE 11 2HG2 ILE 11 -4.753 -4.730 3.322 85 HG23 ILE 11 3HG2 ILE 11 -5.184 -4.456 1.636 86 HD11 ILE 11 3HD1 ILE 11 -6.690 -2.803 4.536 87 HD12 ILE 11 1HD1 ILE 11 -6.626 -1.166 3.888 88 HD13 ILE 11 2HD1 ILE 11 -6.161 -1.470 5.564 89 H VAL 12 H VAL 12 -2.461 -5.145 1.695 90 HA VAL 12 HA VAL 12 -2.734 -4.620 -1.143 91 HB VAL 12 HB VAL 12 -0.716 -6.146 -1.547 92 HG11 VAL 12 1HG1 VAL 12 -0.628 -3.783 -1.895 93 HG12 VAL 12 2HG1 VAL 12 0.893 -4.304 -1.161 94 HG13 VAL 12 3HG1 VAL 12 -0.329 -3.484 -0.186 95 HG21 VAL 12 3HG2 VAL 12 -0.543 -7.088 0.725 96 HG22 VAL 12 1HG2 VAL 12 -0.170 -5.486 1.356 97 HG23 VAL 12 2HG2 VAL 12 0.954 -6.279 0.253 98 HA PRO 13 HA PRO 13 -5.200 -8.409 -0.317 99 HB2 PRO 13 2HB PRO 13 -6.904 -7.167 -2.379 100 HB3 PRO 13 1HB PRO 13 -7.360 -7.753 -0.778 101 HG2 PRO 13 2HG PRO 13 -7.306 -5.142 -1.312 102 HG3 PRO 13 1HG PRO 13 -6.775 -5.764 0.262 103 HD2 PRO 13 2HD PRO 13 -5.121 -4.939 -2.099 104 HD3 PRO 13 1HD PRO 13 -4.890 -4.536 -0.386 105 H ILE 14 H ILE 14 -4.602 -6.672 -3.322 106 HA ILE 14 HA ILE 14 -4.258 -9.210 -4.743 107 HB ILE 14 HB ILE 14 -4.614 -6.416 -5.879 108 HG12 ILE 14 2HG1 ILE 14 -6.683 -7.163 -4.784 109 HG13 ILE 14 1HG1 ILE 14 -6.883 -7.105 -6.529 110 HG21 ILE 14 1HG2 ILE 14 -3.353 -7.892 -7.352 111 HG22 ILE 14 2HG2 ILE 14 -4.944 -7.538 -8.026 112 HG23 ILE 14 3HG2 ILE 14 -4.639 -9.096 -7.260 113 HD11 ILE 14 3HD1 ILE 14 -6.444 -9.580 -4.865 114 HD12 ILE 14 1HD1 ILE 14 -6.615 -9.546 -6.621 115 HD13 ILE 14 2HD1 ILE 14 -7.964 -9.062 -5.593 116 H LEU 15 H LEU 15 -2.239 -9.777 -5.136 117 HA LEU 15 HA LEU 15 -0.029 -8.182 -4.405 118 HB2 LEU 15 2HB LEU 15 -0.146 -10.717 -6.027 119 HB3 LEU 15 1HB LEU 15 1.329 -9.980 -5.441 120 HG LEU 15 HG LEU 15 -0.874 -11.098 -3.705 121 HD11 LEU 15 1HD1 LEU 15 0.353 -12.828 -4.900 122 HD12 LEU 15 2HD1 LEU 15 0.744 -12.849 -3.181 123 HD13 LEU 15 3HD1 LEU 15 1.878 -12.147 -4.334 124 HD21 LEU 15 3HD2 LEU 15 1.835 -9.957 -2.996 125 HD22 LEU 15 1HD2 LEU 15 0.747 -10.778 -1.875 126 HD23 LEU 15 2HD2 LEU 15 0.265 -9.251 -2.604 127 H GLY 16 H GLY 16 1.071 -6.782 -5.480 128 HA2 GLY 16 2HA GLY 16 2.278 -6.136 -7.451 129 HA3 GLY 16 1HA GLY 16 0.935 -6.751 -8.413 130 H PHE 17 H PHE 17 -0.605 -5.392 -5.990 131 HA PHE 17 HA PHE 17 -0.477 -2.668 -7.048 132 HB2 PHE 17 2HB PHE 17 -2.953 -4.213 -6.239 133 HB3 PHE 17 1HB PHE 17 -2.922 -2.490 -6.572 134 HD1 PHE 17 1HD PHE 17 -2.377 -1.721 -8.895 135 HD2 PHE 17 2HD PHE 17 -3.163 -5.788 -7.946 136 HE1 PHE 17 1HE PHE 17 -2.848 -2.176 -11.256 137 HE2 PHE 17 2HE PHE 17 -3.631 -6.255 -10.313 138 HZ PHE 17 HZ PHE 17 -3.476 -4.449 -11.972 139 H VAL 18 H VAL 18 -0.274 -1.157 -5.491 140 HA VAL 18 HA VAL 18 -0.641 -2.107 -2.759 141 HB VAL 18 HB VAL 18 0.856 -0.369 -1.975 142 HG11 VAL 18 1HG1 VAL 18 1.937 -2.397 -2.545 143 HG12 VAL 18 2HG1 VAL 18 2.980 -1.092 -3.145 144 HG13 VAL 18 3HG1 VAL 18 1.947 -1.979 -4.250 145 HG21 VAL 18 3HG2 VAL 18 0.347 1.400 -3.600 146 HG22 VAL 18 1HG2 VAL 18 1.167 0.483 -4.862 147 HG23 VAL 18 2HG2 VAL 18 2.084 1.123 -3.498 148 H TYR 19 H TYR 19 -2.131 -1.194 -1.463 149 HA TYR 19 HA TYR 19 -3.727 0.772 -2.857 150 HB2 TYR 19 2HB TYR 19 -4.553 -1.237 -0.772 151 HB3 TYR 19 1HB TYR 19 -5.612 0.027 -1.395 152 HD1 TYR 19 2HD TYR 19 -3.663 -2.966 -2.376 153 HD2 TYR 19 1HD TYR 19 -6.733 -0.245 -3.465 154 HE1 TYR 19 2HE TYR 19 -4.266 -4.418 -4.262 155 HE2 TYR 19 1HE TYR 19 -7.346 -1.676 -5.346 156 HH TYR 19 HH TYR 19 -6.262 -3.413 -6.762 157 H CYS 20 H CYS 20 -3.260 2.604 -2.378 158 HA CYS 20 HA CYS 20 -3.947 3.765 0.048 159 HB2 CYS 20 2HB CYS 20 -1.738 4.949 0.368 160 HB3 CYS 20 1HB CYS 20 -1.617 3.232 0.707 161 H CYS 21 H CYS 21 -3.618 6.198 -0.432 162 HA CYS 21 HA CYS 21 -4.955 6.764 -2.788 163 HB2 CYS 21 2HB CYS 21 -3.297 8.553 -1.032 164 HB3 CYS 21 1HB CYS 21 -4.296 9.139 -2.384 165 HA PRO 22 HA PRO 22 -2.156 6.609 -6.088 166 HB2 PRO 22 2HB PRO 22 -3.045 8.660 -7.675 167 HB3 PRO 22 1HB PRO 22 -3.827 7.082 -7.563 168 HG2 PRO 22 2HG PRO 22 -4.541 9.650 -6.231 169 HG3 PRO 22 1HG PRO 22 -5.590 8.394 -6.917 170 HD2 PRO 22 2HD PRO 22 -5.143 8.650 -4.253 171 HD3 PRO 22 1HD PRO 22 -5.474 7.088 -5.009 172 H GLY 23 H GLY 23 -0.304 7.445 -6.861 173 HA2 GLY 23 2HA GLY 23 1.285 9.162 -7.271 174 HA3 GLY 23 1HA GLY 23 0.493 10.140 -6.036 175 H LEU 24 H LEU 24 0.415 7.435 -4.540 176 HA LEU 24 HA LEU 24 2.969 7.916 -3.188 177 HB2 LEU 24 2HB LEU 24 0.753 6.184 -2.134 178 HB3 LEU 24 1HB LEU 24 2.045 6.977 -1.313 179 HG LEU 24 HG LEU 24 -0.127 8.574 -2.609 180 HD11 LEU 24 1HD1 LEU 24 -1.203 7.219 -1.045 181 HD12 LEU 24 2HD1 LEU 24 -0.983 8.796 -0.258 182 HD13 LEU 24 3HD1 LEU 24 0.092 7.427 0.115 183 HD21 LEU 24 3HD2 LEU 24 1.995 9.223 -0.548 184 HD22 LEU 24 1HD2 LEU 24 0.689 10.307 -1.036 185 HD23 LEU 24 2HD2 LEU 24 1.894 9.801 -2.210 186 H ILE 25 H ILE 25 4.177 6.142 -2.583 187 HA ILE 25 HA ILE 25 3.693 3.687 -4.122 188 HB ILE 25 HB ILE 25 6.177 3.434 -4.371 189 HG12 ILE 25 2HG1 ILE 25 6.238 6.316 -3.428 190 HG13 ILE 25 1HG1 ILE 25 6.883 4.934 -2.557 191 HG21 ILE 25 1HG2 ILE 25 4.865 4.203 -6.250 192 HG22 ILE 25 2HG2 ILE 25 6.429 5.020 -6.235 193 HG23 ILE 25 3HG2 ILE 25 4.985 5.869 -5.685 194 HD11 ILE 25 3HD1 ILE 25 8.521 4.597 -4.349 195 HD12 ILE 25 1HD1 ILE 25 8.655 6.196 -3.612 196 HD13 ILE 25 2HD1 ILE 25 7.878 6.010 -5.184 197 H CYS 26 H CYS 26 4.256 1.786 -3.047 198 HA CYS 26 HA CYS 26 4.619 2.186 -0.155 199 HB2 CYS 26 2HB CYS 26 2.547 0.965 -1.137 200 HB3 CYS 26 1HB CYS 26 3.678 -0.336 -1.482 201 H GLY 27 H GLY 27 6.628 2.126 0.320 202 HA2 GLY 27 2HA GLY 27 8.431 0.461 -1.230 203 HA3 GLY 27 1HA GLY 27 8.903 1.684 -0.059 204 HA PRO 28 HA PRO 28 9.887 -1.455 2.798 205 HB2 PRO 28 2HB PRO 28 9.154 -0.223 5.170 206 HB3 PRO 28 1HB PRO 28 10.683 0.038 4.337 207 HG2 PRO 28 2HG PRO 28 8.216 1.709 4.335 208 HG3 PRO 28 1HG PRO 28 9.912 2.211 4.275 209 HD2 PRO 28 2HD PRO 28 8.284 2.217 2.112 210 HD3 PRO 28 1HD PRO 28 10.029 1.928 1.992 211 H PHE 29 H PHE 29 7.101 -0.000 4.404 212 HA PHE 29 HA PHE 29 5.578 -2.440 3.889 213 HB2 PHE 29 2HB PHE 29 6.666 -2.544 6.160 214 HB3 PHE 29 1HB PHE 29 5.774 -1.092 6.589 215 HD1 PHE 29 1HD PHE 29 5.521 -4.662 5.850 216 HD2 PHE 29 2HD PHE 29 3.428 -1.185 7.100 217 HE1 PHE 29 1HE PHE 29 3.629 -6.071 6.576 218 HE2 PHE 29 2HE PHE 29 1.534 -2.575 7.827 219 HZ PHE 29 HZ PHE 29 1.632 -5.024 7.566 220 H VAL 30 H VAL 30 5.791 0.987 4.423 221 HA VAL 30 HA VAL 30 2.911 1.227 4.017 222 HB VAL 30 HB VAL 30 2.984 3.348 5.171 223 HG11 VAL 30 1HG1 VAL 30 3.606 2.643 7.430 224 HG12 VAL 30 2HG1 VAL 30 4.400 1.219 6.750 225 HG13 VAL 30 3HG1 VAL 30 2.658 1.430 6.573 226 HG21 VAL 30 3HG2 VAL 30 5.156 4.183 4.532 227 HG22 VAL 30 1HG2 VAL 30 5.954 2.896 5.438 228 HG23 VAL 30 2HG2 VAL 30 5.056 4.143 6.294 229 H CYS 31 H CYS 31 2.430 3.448 3.029 230 HA CYS 31 HA CYS 31 3.988 3.727 0.594 231 HB2 CYS 31 2HB CYS 31 1.338 4.817 1.501 232 HB3 CYS 31 1HB CYS 31 2.090 5.269 -0.038 233 H VAL 32 H VAL 32 4.459 5.855 -0.136 234 HA VAL 32 HA VAL 32 4.720 7.958 1.694 235 HB VAL 32 HB VAL 32 6.597 6.654 2.522 236 HG11 VAL 32 1HG1 VAL 32 7.640 6.663 -0.317 237 HG12 VAL 32 2HG1 VAL 32 7.042 5.262 0.571 238 HG13 VAL 32 3HG1 VAL 32 8.524 6.067 1.089 239 HG21 VAL 32 3HG2 VAL 32 6.898 9.053 2.489 240 HG22 VAL 32 1HG2 VAL 32 7.557 8.979 0.851 241 HG23 VAL 32 2HG2 VAL 32 8.434 8.246 2.202 Start of MODEL 18 1 H1 ARG 1 H ARG 1 -11.179 10.059 -4.169 2 HA ARG 1 HA ARG 1 -12.295 7.685 -5.157 3 HB2 ARG 1 2HB ARG 1 -9.296 7.931 -5.231 4 HB3 ARG 1 1HB ARG 1 -10.160 6.408 -5.197 5 HG2 ARG 1 2HG ARG 1 -11.233 7.058 -7.353 6 HG3 ARG 1 1HG ARG 1 -10.175 8.471 -7.385 7 HD2 ARG 1 2HD ARG 1 -9.269 6.585 -8.693 8 HD3 ARG 1 1HD ARG 1 -8.216 7.057 -7.358 9 HE ARG 1 HE ARG 1 -10.015 4.993 -6.589 10 HH11 ARG 1 1HH1 ARG 1 -7.076 5.442 -8.507 11 HH12 ARG 1 2HH1 ARG 1 -6.394 3.948 -8.079 12 HH21 ARG 1 1HH2 ARG 1 -9.098 2.887 -6.027 13 HH22 ARG 1 2HH2 ARG 1 -7.585 2.462 -6.677 14 H ASP 2 H ASP 2 -11.920 5.959 -3.765 15 HA ASP 2 HA ASP 2 -11.641 6.902 -1.047 16 HB2 ASP 2 2HB ASP 2 -12.727 4.345 -2.233 17 HB3 ASP 2 1HB ASP 2 -12.485 4.589 -0.509 18 H CYS 3 H CYS 3 -9.651 6.907 -0.350 19 HA CYS 3 HA CYS 3 -8.019 4.541 -0.673 20 HB2 CYS 3 2HB CYS 3 -6.126 5.855 -1.547 21 HB3 CYS 3 1HB CYS 3 -7.474 5.772 -2.675 22 H GLN 4 H GLN 4 -5.870 4.937 0.436 23 HA GLN 4 HA GLN 4 -6.382 6.356 2.967 24 HB2 GLN 4 2HB GLN 4 -5.177 4.600 4.093 25 HB3 GLN 4 1HB GLN 4 -6.253 3.820 2.959 26 HG2 GLN 4 2HG GLN 4 -4.633 3.392 1.428 27 HG3 GLN 4 1HG GLN 4 -3.412 4.257 2.370 28 HE21 GLN 4 1HE2 GLN 4 -2.254 2.499 2.514 29 HE22 GLN 4 2HE2 GLN 4 -2.628 1.136 3.542 30 H GLU 5 H GLU 5 -4.514 7.061 4.047 31 HA GLU 5 HA GLU 5 -2.895 8.683 2.428 32 HB2 GLU 5 2HB GLU 5 -2.949 8.031 5.333 33 HB3 GLU 5 1HB GLU 5 -1.795 9.176 4.640 34 HG2 GLU 5 2HG GLU 5 -4.638 9.315 4.114 35 HG3 GLU 5 1HG GLU 5 -4.044 10.065 5.612 36 H LYS 6 H LYS 6 -0.580 8.785 3.208 37 HA LYS 6 HA LYS 6 0.603 6.475 1.968 38 HB2 LYS 6 2HB LYS 6 2.771 7.725 2.047 39 HB3 LYS 6 1HB LYS 6 1.469 8.583 1.233 40 HG2 LYS 6 2HG LYS 6 0.996 9.620 3.324 41 HG3 LYS 6 1HG LYS 6 2.541 9.091 3.985 42 HD2 LYS 6 2HD LYS 6 2.147 10.842 1.533 43 HD3 LYS 6 1HD LYS 6 2.529 11.462 3.135 44 HE2 LYS 6 2HE LYS 6 4.663 10.142 3.019 45 HE3 LYS 6 1HE LYS 6 4.233 9.754 1.348 46 HZ1 LYS 6 3HZ LYS 6 4.626 12.504 2.396 47 HZ2 LYS 6 1HZ LYS 6 4.256 12.100 0.807 48 HZ3 LYS 6 2HZ LYS 6 5.732 11.662 1.449 49 H TRP 7 H TRP 7 0.954 7.925 5.184 50 HA TRP 7 HA TRP 7 2.836 5.854 5.899 51 HB2 TRP 7 2HB TRP 7 1.727 8.137 7.537 52 HB3 TRP 7 1HB TRP 7 2.978 7.024 8.080 53 HD1 TRP 7 HD TRP 7 2.551 10.255 6.331 54 HE1 TRP 7 1HE TRP 7 4.789 11.028 5.300 55 HE3 TRP 7 3HE TRP 7 5.215 5.918 6.775 56 HZ2 TRP 7 2HZ TRP 7 7.322 9.953 4.752 57 HZ3 TRP 7 3HZ TRP 7 7.543 5.879 5.959 58 HH2 TRP 7 HH TRP 7 8.562 7.857 4.974 59 H GLU 8 H GLU 8 0.109 5.156 5.302 60 HA GLU 8 HA GLU 8 -1.005 4.161 7.773 61 HB2 GLU 8 2HB GLU 8 -1.785 3.804 4.892 62 HB3 GLU 8 1HB GLU 8 -2.635 3.041 6.222 63 HG2 GLU 8 2HG GLU 8 -2.373 5.980 5.664 64 HG3 GLU 8 1HG GLU 8 -3.815 4.952 5.592 65 H TYR 9 H TYR 9 -1.631 1.759 7.669 66 HA TYR 9 HA TYR 9 0.791 0.356 7.939 67 HB2 TYR 9 2HB TYR 9 -1.992 -0.817 7.770 68 HB3 TYR 9 1HB TYR 9 -0.558 -1.678 8.306 69 HD1 TYR 9 1HD TYR 9 0.733 -0.516 10.321 70 HD2 TYR 9 2HD TYR 9 -3.361 0.132 9.361 71 HE1 TYR 9 1HE TYR 9 0.318 0.226 12.615 72 HE2 TYR 9 2HE TYR 9 -3.789 0.887 11.639 73 HH TYR 9 HH TYR 9 -1.341 1.685 13.803 74 H CYS 10 H CYS 10 -1.320 0.628 5.255 75 HA CYS 10 HA CYS 10 -1.249 -0.077 3.077 76 HB2 CYS 10 2HB CYS 10 1.026 1.048 3.220 77 HB3 CYS 10 1HB CYS 10 1.722 -0.539 3.551 78 H ILE 11 H ILE 11 -2.098 -1.939 4.850 79 HA ILE 11 HA ILE 11 -0.794 -4.415 4.054 80 HB ILE 11 HB ILE 11 -2.294 -5.511 5.720 81 HG12 ILE 11 2HG1 ILE 11 -3.031 -2.672 6.491 82 HG13 ILE 11 1HG1 ILE 11 -4.108 -3.822 5.705 83 HG21 ILE 11 1HG2 ILE 11 -0.533 -3.305 6.768 84 HG22 ILE 11 2HG2 ILE 11 -0.032 -4.940 6.336 85 HG23 ILE 11 3HG2 ILE 11 -1.103 -4.680 7.713 86 HD11 ILE 11 3HD1 ILE 11 -2.899 -4.115 8.447 87 HD12 ILE 11 1HD1 ILE 11 -3.979 -5.272 7.671 88 HD13 ILE 11 2HD1 ILE 11 -4.564 -3.660 8.086 89 H VAL 12 H VAL 12 -2.214 -6.224 3.377 90 HA VAL 12 HA VAL 12 -4.621 -5.331 2.083 91 HB VAL 12 HB VAL 12 -2.857 -4.799 0.474 92 HG11 VAL 12 1HG1 VAL 12 -2.121 -7.711 0.560 93 HG12 VAL 12 2HG1 VAL 12 -1.141 -6.351 1.108 94 HG13 VAL 12 3HG1 VAL 12 -1.509 -6.537 -0.607 95 HG21 VAL 12 3HG2 VAL 12 -3.703 -6.003 -1.464 96 HG22 VAL 12 1HG2 VAL 12 -5.015 -5.490 -0.406 97 HG23 VAL 12 2HG2 VAL 12 -4.483 -7.170 -0.399 98 HA PRO 13 HA PRO 13 -5.949 -9.377 3.446 99 HB2 PRO 13 2HB PRO 13 -7.828 -9.151 1.149 100 HB3 PRO 13 1HB PRO 13 -8.173 -9.487 2.848 101 HG2 PRO 13 2HG PRO 13 -8.710 -7.099 1.817 102 HG3 PRO 13 1HG PRO 13 -8.044 -7.248 3.453 103 HD2 PRO 13 2HD PRO 13 -6.680 -6.451 0.916 104 HD3 PRO 13 1HD PRO 13 -6.474 -5.826 2.567 105 H ILE 14 H ILE 14 -5.821 -8.874 -0.085 106 HA ILE 14 HA ILE 14 -4.699 -11.578 -0.361 107 HB ILE 14 HB ILE 14 -6.432 -10.044 -2.333 108 HG12 ILE 14 2HG1 ILE 14 -7.052 -12.556 -0.752 109 HG13 ILE 14 1HG1 ILE 14 -7.680 -10.956 -0.389 110 HG21 ILE 14 1HG2 ILE 14 -6.379 -12.073 -3.693 111 HG22 ILE 14 2HG2 ILE 14 -5.266 -12.816 -2.547 112 HG23 ILE 14 3HG2 ILE 14 -4.761 -11.404 -3.473 113 HD11 ILE 14 3HD1 ILE 14 -8.844 -10.951 -2.554 114 HD12 ILE 14 1HD1 ILE 14 -9.339 -12.298 -1.528 115 HD13 ILE 14 2HD1 ILE 14 -8.227 -12.575 -2.865 116 H LEU 15 H LEU 15 -2.742 -11.668 -1.326 117 HA LEU 15 HA LEU 15 -1.350 -9.236 -1.835 118 HB2 LEU 15 2HB LEU 15 -0.512 -12.105 -2.293 119 HB3 LEU 15 1HB LEU 15 0.527 -10.737 -2.608 120 HG LEU 15 HG LEU 15 1.207 -11.674 -0.564 121 HD11 LEU 15 1HD1 LEU 15 0.905 -9.890 1.045 122 HD12 LEU 15 2HD1 LEU 15 -0.401 -9.226 0.070 123 HD13 LEU 15 3HD1 LEU 15 1.240 -9.279 -0.575 124 HD21 LEU 15 3HD2 LEU 15 -1.651 -11.521 0.395 125 HD22 LEU 15 1HD2 LEU 15 -0.264 -11.994 1.376 126 HD23 LEU 15 2HD2 LEU 15 -0.753 -12.990 0.006 127 H GLY 16 H GLY 16 -0.329 -8.598 -3.796 128 HA2 GLY 16 2HA GLY 16 -0.186 -8.613 -6.167 129 HA3 GLY 16 1HA GLY 16 -1.664 -9.578 -6.211 130 H PHE 17 H PHE 17 -2.291 -7.520 -3.920 131 HA PHE 17 HA PHE 17 -3.289 -5.370 -5.642 132 HB2 PHE 17 2HB PHE 17 -4.699 -6.608 -3.244 133 HB3 PHE 17 1HB PHE 17 -5.315 -5.304 -4.246 134 HD1 PHE 17 2HD PHE 17 -4.620 -8.914 -4.085 135 HD2 PHE 17 1HD PHE 17 -6.372 -5.776 -6.354 136 HE1 PHE 17 2HE PHE 17 -5.732 -10.573 -5.508 137 HE2 PHE 17 1HE PHE 17 -7.492 -7.451 -7.783 138 HZ PHE 17 HZ PHE 17 -7.171 -9.839 -7.360 139 H VAL 18 H VAL 18 -3.144 -3.302 -4.631 140 HA VAL 18 HA VAL 18 -2.637 -3.042 -1.871 141 HB VAL 18 HB VAL 18 -0.307 -3.550 -2.577 142 HG11 VAL 18 1HG1 VAL 18 -0.366 -2.837 -4.868 143 HG12 VAL 18 2HG1 VAL 18 0.962 -2.042 -4.020 144 HG13 VAL 18 3HG1 VAL 18 -0.522 -1.152 -4.374 145 HG21 VAL 18 3HG2 VAL 18 -0.695 -0.665 -1.813 146 HG22 VAL 18 1HG2 VAL 18 0.811 -1.566 -1.653 147 HG23 VAL 18 2HG2 VAL 18 -0.604 -2.040 -0.714 148 H TYR 19 H TYR 19 -3.445 -1.123 -1.195 149 HA TYR 19 HA TYR 19 -4.036 0.814 -3.295 150 HB2 TYR 19 2HB TYR 19 -6.004 -0.276 -1.298 151 HB3 TYR 19 1HB TYR 19 -6.275 1.158 -2.270 152 HD1 TYR 19 1HD TYR 19 -6.673 0.962 -4.677 153 HD2 TYR 19 2HD TYR 19 -6.155 -2.488 -2.250 154 HE1 TYR 19 1HE TYR 19 -7.653 -0.420 -6.446 155 HE2 TYR 19 2HE TYR 19 -7.125 -3.885 -4.008 156 HH TYR 19 HH TYR 19 -8.604 -3.653 -5.908 157 H CYS 20 H CYS 20 -3.168 2.612 -2.775 158 HA CYS 20 HA CYS 20 -3.821 3.855 -0.225 159 HB2 CYS 20 2HB CYS 20 -1.117 3.975 -1.647 160 HB3 CYS 20 1HB CYS 20 -1.611 5.114 -0.408 161 H CYS 21 H CYS 21 -3.461 6.351 -0.681 162 HA CYS 21 HA CYS 21 -4.952 6.971 -2.941 163 HB2 CYS 21 2HB CYS 21 -3.262 8.688 -1.144 164 HB3 CYS 21 1HB CYS 21 -4.229 9.344 -2.477 165 HA PRO 22 HA PRO 22 -2.302 6.789 -6.318 166 HB2 PRO 22 2HB PRO 22 -3.231 8.847 -7.856 167 HB3 PRO 22 1HB PRO 22 -4.044 7.289 -7.696 168 HG2 PRO 22 2HG PRO 22 -4.646 9.882 -6.342 169 HG3 PRO 22 1HG PRO 22 -5.759 8.647 -6.952 170 HD2 PRO 22 2HD PRO 22 -5.117 8.911 -4.316 171 HD3 PRO 22 1HD PRO 22 -5.560 7.358 -5.054 172 H GLY 23 H GLY 23 -0.306 7.353 -6.701 173 HA2 GLY 23 2HA GLY 23 1.294 9.074 -7.300 174 HA3 GLY 23 1HA GLY 23 0.518 10.117 -6.110 175 H LEU 24 H LEU 24 0.335 7.438 -4.528 176 HA LEU 24 HA LEU 24 2.883 7.892 -3.151 177 HB2 LEU 24 2HB LEU 24 0.645 6.162 -2.103 178 HB3 LEU 24 1HB LEU 24 1.937 6.928 -1.275 179 HG LEU 24 HG LEU 24 -0.229 8.552 -2.564 180 HD11 LEU 24 1HD1 LEU 24 -1.061 8.857 -0.257 181 HD12 LEU 24 2HD1 LEU 24 0.018 7.526 0.233 182 HD13 LEU 24 3HD1 LEU 24 -1.275 7.250 -0.938 183 HD21 LEU 24 3HD2 LEU 24 1.969 9.204 -0.603 184 HD22 LEU 24 1HD2 LEU 24 0.646 10.302 -1.027 185 HD23 LEU 24 2HD2 LEU 24 1.792 9.784 -2.258 186 H ILE 25 H ILE 25 4.049 6.095 -2.446 187 HA ILE 25 HA ILE 25 3.658 3.634 -4.022 188 HB ILE 25 HB ILE 25 6.151 3.372 -4.049 189 HG12 ILE 25 2HG1 ILE 25 6.203 6.273 -3.170 190 HG13 ILE 25 1HG1 ILE 25 6.648 4.905 -2.159 191 HG21 ILE 25 1HG2 ILE 25 5.118 5.818 -5.459 192 HG22 ILE 25 2HG2 ILE 25 5.019 4.153 -6.032 193 HG23 ILE 25 3HG2 ILE 25 6.590 4.941 -5.874 194 HD11 ILE 25 3HD1 ILE 25 8.495 4.397 -3.672 195 HD12 ILE 25 1HD1 ILE 25 8.604 6.039 -3.038 196 HD13 ILE 25 2HD1 ILE 25 8.037 5.764 -4.687 197 H CYS 26 H CYS 26 3.851 1.761 -2.887 198 HA CYS 26 HA CYS 26 4.222 2.061 -0.016 199 HB2 CYS 26 2HB CYS 26 2.321 0.746 -1.046 200 HB3 CYS 26 1HB CYS 26 3.508 -0.477 -1.509 201 H GLY 27 H GLY 27 6.208 2.301 0.417 202 HA2 GLY 27 2HA GLY 27 8.269 1.054 -1.152 203 HA3 GLY 27 1HA GLY 27 8.511 2.175 0.175 204 HA PRO 28 HA PRO 28 9.776 -1.294 2.481 205 HB2 PRO 28 2HB PRO 28 9.089 -0.254 5.055 206 HB3 PRO 28 1HB PRO 28 10.657 -0.198 4.263 207 HG2 PRO 28 2HG PRO 28 9.017 2.018 4.769 208 HG3 PRO 28 1HG PRO 28 10.397 1.972 3.669 209 HD2 PRO 28 2HD PRO 28 7.491 1.869 3.059 210 HD3 PRO 28 1HD PRO 28 8.824 2.491 2.087 211 H PHE 29 H PHE 29 7.219 -0.231 4.675 212 HA PHE 29 HA PHE 29 5.659 -2.586 3.878 213 HB2 PHE 29 2HB PHE 29 5.960 -1.490 6.684 214 HB3 PHE 29 1HB PHE 29 4.993 -2.878 6.214 215 HD1 PHE 29 2HD PHE 29 6.234 -4.882 5.205 216 HD2 PHE 29 1HD PHE 29 8.176 -1.756 7.330 217 HE1 PHE 29 2HE PHE 29 8.168 -6.352 5.595 218 HE2 PHE 29 1HE PHE 29 10.112 -3.209 7.716 219 HZ PHE 29 HZ PHE 29 10.111 -5.516 6.850 220 H VAL 30 H VAL 30 5.853 0.697 4.037 221 HA VAL 30 HA VAL 30 2.956 1.042 4.198 222 HB VAL 30 HB VAL 30 3.258 3.173 5.367 223 HG11 VAL 30 1HG1 VAL 30 4.600 0.894 6.808 224 HG12 VAL 30 2HG1 VAL 30 2.870 1.232 6.738 225 HG13 VAL 30 3HG1 VAL 30 3.951 2.350 7.569 226 HG21 VAL 30 3HG2 VAL 30 6.192 2.465 5.416 227 HG22 VAL 30 1HG2 VAL 30 5.463 3.775 6.350 228 HG23 VAL 30 2HG2 VAL 30 5.445 3.827 4.588 229 H CYS 31 H CYS 31 2.354 3.213 3.247 230 HA CYS 31 HA CYS 31 3.775 3.662 0.735 231 HB2 CYS 31 2HB CYS 31 1.114 4.586 1.821 232 HB3 CYS 31 1HB CYS 31 1.809 5.192 0.301 233 H VAL 32 H VAL 32 3.917 5.931 0.068 234 HA VAL 32 HA VAL 32 4.646 7.933 1.794 235 HB VAL 32 HB VAL 32 6.431 6.474 2.600 236 HG11 VAL 32 1HG1 VAL 32 8.236 5.658 1.116 237 HG12 VAL 32 2HG1 VAL 32 7.365 6.297 -0.277 238 HG13 VAL 32 3HG1 VAL 32 6.668 4.982 0.669 239 HG21 VAL 32 3HG2 VAL 32 8.382 7.876 2.164 240 HG22 VAL 32 1HG2 VAL 32 6.936 8.844 2.437 241 HG23 VAL 32 2HG2 VAL 32 7.552 8.617 0.796 Start of MODEL 19 1 H1 ARG 1 H ARG 1 -13.189 2.891 -3.331 2 HA ARG 1 HA ARG 1 -14.144 2.467 -0.725 3 HB2 ARG 1 2HB ARG 1 -11.254 1.743 -1.204 4 HB3 ARG 1 1HB ARG 1 -12.040 1.855 0.355 5 HG2 ARG 1 2HG ARG 1 -13.488 -0.035 -0.248 6 HG3 ARG 1 1HG ARG 1 -12.658 -0.151 -1.802 7 HD2 ARG 1 2HD ARG 1 -11.729 -1.778 -0.282 8 HD3 ARG 1 1HD ARG 1 -10.533 -0.523 -0.602 9 HE ARG 1 HE ARG 1 -12.135 -0.051 1.730 10 HH11 ARG 1 1HH1 ARG 1 -9.128 -1.550 0.547 11 HH12 ARG 1 2HH1 ARG 1 -8.425 -1.595 2.092 12 HH21 ARG 1 1HH2 ARG 1 -11.140 -0.182 3.823 13 HH22 ARG 1 2HH2 ARG 1 -9.569 -0.821 3.961 14 H ASP 2 H ASP 2 -12.491 3.784 0.768 15 HA ASP 2 HA ASP 2 -11.800 6.210 -0.654 16 HB2 ASP 2 2HB ASP 2 -13.293 6.613 1.208 17 HB3 ASP 2 1HB ASP 2 -12.275 5.658 2.281 18 H CYS 3 H CYS 3 -9.801 6.555 -1.019 19 HA CYS 3 HA CYS 3 -7.850 4.606 -0.418 20 HB2 CYS 3 2HB CYS 3 -6.254 5.979 -1.570 21 HB3 CYS 3 1HB CYS 3 -7.762 5.948 -2.471 22 H GLN 4 H GLN 4 -5.805 4.939 0.641 23 HA GLN 4 HA GLN 4 -6.231 6.399 3.181 24 HB2 GLN 4 2HB GLN 4 -5.093 4.642 4.310 25 HB3 GLN 4 1HB GLN 4 -6.121 3.851 3.129 26 HG2 GLN 4 2HG GLN 4 -4.234 3.601 1.622 27 HG3 GLN 4 1HG GLN 4 -3.161 4.272 2.856 28 HE21 GLN 4 1HE2 GLN 4 -4.972 1.650 1.802 29 HE22 GLN 4 2HE2 GLN 4 -4.495 0.520 3.046 30 H GLU 5 H GLU 5 -4.402 7.253 4.176 31 HA GLU 5 HA GLU 5 -2.765 8.697 2.415 32 HB2 GLU 5 2HB GLU 5 -2.756 8.309 5.379 33 HB3 GLU 5 1HB GLU 5 -1.593 9.381 4.578 34 HG2 GLU 5 2HG GLU 5 -3.534 10.660 3.692 35 HG3 GLU 5 1HG GLU 5 -4.597 9.618 4.632 36 H LYS 6 H LYS 6 -0.308 8.743 3.116 37 HA LYS 6 HA LYS 6 0.646 6.377 1.891 38 HB2 LYS 6 2HB LYS 6 2.881 7.512 2.005 39 HB3 LYS 6 1HB LYS 6 1.617 8.451 1.215 40 HG2 LYS 6 2HG LYS 6 1.214 9.451 3.426 41 HG3 LYS 6 1HG LYS 6 2.768 8.833 3.953 42 HD2 LYS 6 2HD LYS 6 2.316 10.712 1.617 43 HD3 LYS 6 1HD LYS 6 2.790 11.223 3.233 44 HE2 LYS 6 2HE LYS 6 4.844 9.776 2.951 45 HE3 LYS 6 1HE LYS 6 4.335 9.576 1.270 46 HZ1 LYS 6 3HZ LYS 6 5.952 11.357 1.566 47 HZ2 LYS 6 1HZ LYS 6 4.865 12.198 2.534 48 HZ3 LYS 6 2HZ LYS 6 4.524 11.918 0.903 49 H TRP 7 H TRP 7 1.226 7.788 5.092 50 HA TRP 7 HA TRP 7 2.874 5.528 5.827 51 HB2 TRP 7 2HB TRP 7 2.042 7.938 7.447 52 HB3 TRP 7 1HB TRP 7 3.209 6.727 7.957 53 HD1 TRP 7 HD TRP 7 3.006 9.991 6.303 54 HE1 TRP 7 1HE TRP 7 5.251 10.638 5.224 55 HE3 TRP 7 3HE TRP 7 5.356 5.470 6.510 56 HZ2 TRP 7 2HZ TRP 7 7.681 9.407 4.554 57 HZ3 TRP 7 3HZ TRP 7 7.651 5.301 5.600 58 HH2 TRP 7 HH TRP 7 8.768 7.235 4.653 59 H GLU 8 H GLU 8 0.102 4.959 5.289 60 HA GLU 8 HA GLU 8 -1.119 4.561 7.892 61 HB2 GLU 8 2HB GLU 8 -2.084 3.870 5.135 62 HB3 GLU 8 1HB GLU 8 -2.984 3.548 6.607 63 HG2 GLU 8 2HG GLU 8 -2.119 6.245 5.654 64 HG3 GLU 8 1HG GLU 8 -3.714 5.498 5.450 65 H TYR 9 H TYR 9 -2.091 2.018 6.038 66 HA TYR 9 HA TYR 9 -0.157 0.284 7.363 67 HB2 TYR 9 2HB TYR 9 -3.028 -0.239 6.665 68 HB3 TYR 9 1HB TYR 9 -1.904 -1.533 7.074 69 HD1 TYR 9 1HD TYR 9 -0.533 -1.068 9.294 70 HD2 TYR 9 2HD TYR 9 -4.330 0.618 8.388 71 HE1 TYR 9 1HE TYR 9 -0.925 -0.723 11.658 72 HE2 TYR 9 2HE TYR 9 -4.741 0.973 10.776 73 HH TYR 9 HH TYR 9 -3.975 0.049 12.921 74 H CYS 10 H CYS 10 -1.805 0.931 4.362 75 HA CYS 10 HA CYS 10 -1.353 0.432 2.241 76 HB2 CYS 10 2HB CYS 10 0.959 1.053 2.652 77 HB3 CYS 10 1HB CYS 10 1.297 -0.540 3.321 78 H ILE 11 H ILE 11 -2.687 -1.064 1.446 79 HA ILE 11 HA ILE 11 -2.210 -3.809 2.214 80 HB ILE 11 HB ILE 11 -4.393 -3.066 2.970 81 HG12 ILE 11 2HG1 ILE 11 -4.656 -4.639 0.445 82 HG13 ILE 11 1HG1 ILE 11 -4.219 -5.309 2.016 83 HG21 ILE 11 1HG2 ILE 11 -4.675 -1.114 1.528 84 HG22 ILE 11 2HG2 ILE 11 -6.095 -2.163 1.462 85 HG23 ILE 11 3HG2 ILE 11 -4.918 -2.193 0.149 86 HD11 ILE 11 3HD1 ILE 11 -6.436 -4.661 2.879 87 HD12 ILE 11 1HD1 ILE 11 -6.570 -5.767 1.511 88 HD13 ILE 11 2HD1 ILE 11 -6.863 -4.041 1.285 89 H VAL 12 H VAL 12 -1.945 -5.300 0.559 90 HA VAL 12 HA VAL 12 -1.901 -4.165 -2.118 91 HB VAL 12 HB VAL 12 0.389 -4.543 -1.388 92 HG11 VAL 12 1HG1 VAL 12 1.296 -6.731 -0.799 93 HG12 VAL 12 2HG1 VAL 12 -0.333 -7.401 -0.831 94 HG13 VAL 12 3HG1 VAL 12 0.087 -6.163 0.353 95 HG21 VAL 12 3HG2 VAL 12 -0.427 -6.667 -3.361 96 HG22 VAL 12 1HG2 VAL 12 1.219 -6.086 -3.116 97 HG23 VAL 12 2HG2 VAL 12 -0.022 -4.992 -3.728 98 HA PRO 13 HA PRO 13 -5.205 -7.306 -2.243 99 HB2 PRO 13 2HB PRO 13 -5.963 -5.791 -4.663 100 HB3 PRO 13 1HB PRO 13 -6.932 -6.164 -3.239 101 HG2 PRO 13 2HG PRO 13 -6.048 -3.678 -3.704 102 HG3 PRO 13 1HG PRO 13 -6.144 -4.332 -2.059 103 HD2 PRO 13 2HD PRO 13 -3.752 -4.027 -3.837 104 HD3 PRO 13 1HD PRO 13 -3.922 -3.700 -2.097 105 H ILE 14 H ILE 14 -3.404 -6.040 -4.956 106 HA ILE 14 HA ILE 14 -3.222 -8.707 -6.159 107 HB ILE 14 HB ILE 14 -3.375 -6.003 -7.545 108 HG12 ILE 14 2HG1 ILE 14 -5.598 -6.741 -6.843 109 HG13 ILE 14 1HG1 ILE 14 -5.454 -6.805 -8.593 110 HG21 ILE 14 1HG2 ILE 14 -3.294 -7.231 -9.664 111 HG22 ILE 14 2HG2 ILE 14 -3.010 -8.716 -8.756 112 HG23 ILE 14 3HG2 ILE 14 -1.821 -7.415 -8.707 113 HD11 ILE 14 3HD1 ILE 14 -6.657 -8.730 -7.774 114 HD12 ILE 14 1HD1 ILE 14 -5.322 -9.143 -6.697 115 HD13 ILE 14 2HD1 ILE 14 -5.105 -9.237 -8.442 116 H LEU 15 H LEU 15 -1.086 -9.287 -6.392 117 HA LEU 15 HA LEU 15 0.824 -7.620 -5.178 118 HB2 LEU 15 2HB LEU 15 1.167 -10.141 -6.789 119 HB3 LEU 15 1HB LEU 15 2.527 -9.282 -6.103 120 HG LEU 15 HG LEU 15 2.045 -11.122 -4.692 121 HD11 LEU 15 1HD1 LEU 15 0.981 -8.653 -3.363 122 HD12 LEU 15 2HD1 LEU 15 2.672 -9.120 -3.524 123 HD13 LEU 15 3HD1 LEU 15 1.578 -10.101 -2.551 124 HD21 LEU 15 3HD2 LEU 15 -0.241 -11.626 -5.351 125 HD22 LEU 15 1HD2 LEU 15 -0.816 -10.163 -4.548 126 HD23 LEU 15 2HD2 LEU 15 -0.137 -11.481 -3.596 127 H GLY 16 H GLY 16 1.924 -6.065 -5.848 128 HA2 GLY 16 2HA GLY 16 3.252 -4.874 -7.409 129 HA3 GLY 16 1HA GLY 16 2.322 -5.615 -8.712 130 H PHE 17 H PHE 17 0.019 -4.966 -6.590 131 HA PHE 17 HA PHE 17 -0.294 -2.174 -7.356 132 HB2 PHE 17 2HB PHE 17 -1.802 -3.483 -8.725 133 HB3 PHE 17 1HB PHE 17 -2.367 -4.358 -7.305 134 HD1 PHE 17 1HD PHE 17 -2.276 -0.985 -8.841 135 HD2 PHE 17 2HD PHE 17 -4.209 -3.593 -6.099 136 HE1 PHE 17 1HE PHE 17 -4.080 0.654 -8.564 137 HE2 PHE 17 2HE PHE 17 -6.017 -1.959 -5.809 138 HZ PHE 17 HZ PHE 17 -5.960 0.166 -7.043 139 H VAL 18 H VAL 18 -0.214 -1.027 -5.577 140 HA VAL 18 HA VAL 18 -1.166 -2.256 -3.101 141 HB VAL 18 HB VAL 18 0.191 -0.563 -1.894 142 HG11 VAL 18 1HG1 VAL 18 2.395 -1.525 -2.442 143 HG12 VAL 18 2HG1 VAL 18 1.714 -2.201 -3.919 144 HG13 VAL 18 3HG1 VAL 18 1.134 -2.752 -2.348 145 HG21 VAL 18 3HG2 VAL 18 0.210 1.213 -3.600 146 HG22 VAL 18 1HG2 VAL 18 1.196 0.198 -4.650 147 HG23 VAL 18 2HG2 VAL 18 1.856 0.789 -3.128 148 H TYR 19 H TYR 19 -2.669 -1.182 -1.828 149 HA TYR 19 HA TYR 19 -3.997 0.921 -3.324 150 HB2 TYR 19 2HB TYR 19 -5.421 -1.028 -2.909 151 HB3 TYR 19 1HB TYR 19 -5.177 -0.831 -1.173 152 HD1 TYR 19 1HD TYR 19 -6.290 1.156 -4.101 153 HD2 TYR 19 2HD TYR 19 -6.820 0.313 0.024 154 HE1 TYR 19 1HE TYR 19 -8.164 2.718 -4.040 155 HE2 TYR 19 2HE TYR 19 -8.717 1.885 0.101 156 HH TYR 19 HH TYR 19 -10.122 3.140 -2.734 157 H CYS 20 H CYS 20 -3.381 2.757 -2.793 158 HA CYS 20 HA CYS 20 -3.892 3.841 -0.188 159 HB2 CYS 20 2HB CYS 20 -1.171 4.069 -1.575 160 HB3 CYS 20 1HB CYS 20 -1.694 5.094 -0.251 161 H CYS 21 H CYS 21 -3.543 6.326 -0.599 162 HA CYS 21 HA CYS 21 -5.071 6.989 -2.866 163 HB2 CYS 21 2HB CYS 21 -3.326 8.691 -1.103 164 HB3 CYS 21 1HB CYS 21 -4.340 9.349 -2.397 165 HA PRO 22 HA PRO 22 -2.414 6.877 -6.284 166 HB2 PRO 22 2HB PRO 22 -3.197 9.082 -7.721 167 HB3 PRO 22 1HB PRO 22 -4.103 7.566 -7.664 168 HG2 PRO 22 2HG PRO 22 -4.540 10.094 -6.134 169 HG3 PRO 22 1HG PRO 22 -5.736 9.013 -6.872 170 HD2 PRO 22 2HD PRO 22 -5.186 8.984 -4.210 171 HD3 PRO 22 1HD PRO 22 -5.647 7.511 -5.090 172 H GLY 23 H GLY 23 -0.424 7.470 -6.804 173 HA2 GLY 23 2HA GLY 23 1.280 9.080 -7.250 174 HA3 GLY 23 1HA GLY 23 0.522 10.155 -6.079 175 H LEU 24 H LEU 24 0.373 7.237 -4.692 176 HA LEU 24 HA LEU 24 2.870 7.710 -3.216 177 HB2 LEU 24 2HB LEU 24 0.584 6.013 -2.204 178 HB3 LEU 24 1HB LEU 24 1.900 6.733 -1.360 179 HG LEU 24 HG LEU 24 -0.243 8.423 -2.602 180 HD11 LEU 24 1HD1 LEU 24 0.039 7.429 0.204 181 HD12 LEU 24 2HD1 LEU 24 -1.273 7.093 -0.949 182 HD13 LEU 24 3HD1 LEU 24 -1.059 8.718 -0.307 183 HD21 LEU 24 3HD2 LEU 24 0.686 10.133 -1.059 184 HD22 LEU 24 1HD2 LEU 24 1.821 9.603 -2.302 185 HD23 LEU 24 2HD2 LEU 24 1.987 9.004 -0.663 186 H ILE 25 H ILE 25 3.994 5.855 -2.516 187 HA ILE 25 HA ILE 25 3.494 3.389 -4.017 188 HB ILE 25 HB ILE 25 5.975 3.103 -4.285 189 HG12 ILE 25 2HG1 ILE 25 6.058 6.060 -3.619 190 HG13 ILE 25 1HG1 ILE 25 6.722 4.762 -2.636 191 HG21 ILE 25 1HG2 ILE 25 6.167 4.548 -6.286 192 HG22 ILE 25 2HG2 ILE 25 4.694 5.382 -5.783 193 HG23 ILE 25 3HG2 ILE 25 4.639 3.672 -6.199 194 HD11 ILE 25 3HD1 ILE 25 7.654 5.562 -5.385 195 HD12 ILE 25 1HD1 ILE 25 8.324 4.252 -4.414 196 HD13 ILE 25 2HD1 ILE 25 8.464 5.919 -3.858 197 H CYS 26 H CYS 26 4.139 1.520 -2.930 198 HA CYS 26 HA CYS 26 4.439 1.922 -0.036 199 HB2 CYS 26 2HB CYS 26 2.595 0.531 -1.158 200 HB3 CYS 26 1HB CYS 26 3.874 -0.657 -1.446 201 H GLY 27 H GLY 27 6.459 2.205 0.393 202 HA2 GLY 27 2HA GLY 27 8.487 0.711 -1.062 203 HA3 GLY 27 1HA GLY 27 8.763 2.048 0.044 204 HA PRO 28 HA PRO 28 10.214 -0.742 3.048 205 HB2 PRO 28 2HB PRO 28 9.324 0.401 5.384 206 HB3 PRO 28 1HB PRO 28 10.713 0.982 4.461 207 HG2 PRO 28 2HG PRO 28 7.900 2.002 4.502 208 HG3 PRO 28 1HG PRO 28 9.419 2.915 4.454 209 HD2 PRO 28 2HD PRO 28 7.901 2.538 2.256 210 HD3 PRO 28 1HD PRO 28 9.671 2.611 2.177 211 H PHE 29 H PHE 29 6.909 0.215 3.778 212 HA PHE 29 HA PHE 29 5.992 -2.467 4.047 213 HB2 PHE 29 2HB PHE 29 7.124 -2.252 6.209 214 HB3 PHE 29 1HB PHE 29 6.305 -0.730 6.511 215 HD1 PHE 29 2HD PHE 29 5.570 -4.300 5.831 216 HD2 PHE 29 1HD PHE 29 4.439 -0.727 7.785 217 HE1 PHE 29 2HE PHE 29 3.761 -5.525 6.988 218 HE2 PHE 29 1HE PHE 29 2.613 -1.921 8.957 219 HZ PHE 29 HZ PHE 29 2.280 -4.327 8.556 220 H VAL 30 H VAL 30 5.671 0.965 4.476 221 HA VAL 30 HA VAL 30 2.847 0.751 3.815 222 HB VAL 30 HB VAL 30 2.531 2.919 4.995 223 HG11 VAL 30 1HG1 VAL 30 2.705 2.042 7.271 224 HG12 VAL 30 2HG1 VAL 30 3.754 0.754 6.675 225 HG13 VAL 30 3HG1 VAL 30 2.070 0.828 6.155 226 HG21 VAL 30 3HG2 VAL 30 4.282 3.711 6.528 227 HG22 VAL 30 1HG2 VAL 30 4.799 3.796 4.840 228 HG23 VAL 30 2HG2 VAL 30 5.385 2.497 5.879 229 H CYS 31 H CYS 31 2.165 3.044 2.938 230 HA CYS 31 HA CYS 31 3.707 3.443 0.561 231 HB2 CYS 31 2HB CYS 31 1.095 4.569 1.556 232 HB3 CYS 31 1HB CYS 31 1.847 5.020 0.007 233 H VAL 32 H VAL 32 3.819 5.829 -0.115 234 HA VAL 32 HA VAL 32 4.757 7.738 1.596 235 HB VAL 32 HB VAL 32 6.490 6.124 2.275 236 HG11 VAL 32 1HG1 VAL 32 7.317 6.088 -0.634 237 HG12 VAL 32 2HG1 VAL 32 6.611 4.744 0.264 238 HG13 VAL 32 3HG1 VAL 32 8.213 5.344 0.692 239 HG21 VAL 32 3HG2 VAL 32 7.055 8.475 2.243 240 HG22 VAL 32 1HG2 VAL 32 7.611 8.348 0.571 241 HG23 VAL 32 2HG2 VAL 32 8.458 7.485 1.868 Start of MODEL 20 1 H1 ARG 1 H ARG 1 -12.488 8.838 -4.346 2 HA ARG 1 HA ARG 1 -13.630 6.365 -4.434 3 HB2 ARG 1 2HB ARG 1 -10.665 6.311 -5.022 4 HB3 ARG 1 1HB ARG 1 -11.628 4.916 -4.573 5 HG2 ARG 1 2HG ARG 1 -12.930 5.144 -6.617 6 HG3 ARG 1 1HG ARG 1 -11.991 6.574 -7.055 7 HD2 ARG 1 2HD ARG 1 -11.152 4.626 -8.236 8 HD3 ARG 1 1HD ARG 1 -9.956 5.217 -7.086 9 HE ARG 1 HE ARG 1 -11.502 3.215 -5.863 10 HH11 ARG 1 1HH1 ARG 1 -8.920 3.602 -8.256 11 HH12 ARG 1 2HH1 ARG 1 -8.398 1.993 -8.166 12 HH21 ARG 1 1HH2 ARG 1 -10.743 0.979 -5.714 13 HH22 ARG 1 2HH2 ARG 1 -9.464 0.465 -6.702 14 H ASP 2 H ASP 2 -12.440 4.973 -2.640 15 HA ASP 2 HA ASP 2 -11.731 6.813 -0.473 16 HB2 ASP 2 2HB ASP 2 -13.661 5.347 -0.018 17 HB3 ASP 2 1HB ASP 2 -12.677 3.935 -0.377 18 H CYS 3 H CYS 3 -9.565 7.039 -0.414 19 HA CYS 3 HA CYS 3 -8.043 4.570 -0.579 20 HB2 CYS 3 2HB CYS 3 -6.172 5.854 -1.536 21 HB3 CYS 3 1HB CYS 3 -7.588 5.879 -2.578 22 H GLN 4 H GLN 4 -5.826 4.890 0.499 23 HA GLN 4 HA GLN 4 -6.339 6.332 2.998 24 HB2 GLN 4 2HB GLN 4 -5.308 4.570 4.215 25 HB3 GLN 4 1HB GLN 4 -6.343 3.842 2.995 26 HG2 GLN 4 2HG GLN 4 -4.541 3.296 1.612 27 HG3 GLN 4 1HG GLN 4 -3.388 4.092 2.692 28 HE21 GLN 4 1HE2 GLN 4 -3.493 1.380 1.824 29 HE22 GLN 4 2HE2 GLN 4 -3.659 0.395 3.257 30 H GLU 5 H GLU 5 -4.494 7.049 4.103 31 HA GLU 5 HA GLU 5 -2.900 8.676 2.466 32 HB2 GLU 5 2HB GLU 5 -2.918 8.055 5.378 33 HB3 GLU 5 1HB GLU 5 -1.798 9.220 4.662 34 HG2 GLU 5 2HG GLU 5 -3.614 10.608 4.016 35 HG3 GLU 5 1HG GLU 5 -4.790 9.372 4.455 36 H LYS 6 H LYS 6 -0.511 8.864 3.057 37 HA LYS 6 HA LYS 6 0.729 6.597 1.927 38 HB2 LYS 6 2HB LYS 6 2.841 7.903 2.176 39 HB3 LYS 6 1HB LYS 6 1.558 8.766 1.337 40 HG2 LYS 6 2HG LYS 6 0.967 9.735 3.486 41 HG3 LYS 6 1HG LYS 6 2.483 9.157 4.165 42 HD2 LYS 6 2HD LYS 6 2.173 11.030 1.816 43 HD3 LYS 6 1HD LYS 6 2.557 11.553 3.454 44 HE2 LYS 6 2HE LYS 6 4.638 10.089 3.242 45 HE3 LYS 6 1HE LYS 6 4.215 9.946 1.539 46 HZ1 LYS 6 3HZ LYS 6 4.725 12.511 2.935 47 HZ2 LYS 6 1HZ LYS 6 4.326 12.331 1.307 48 HZ3 LYS 6 2HZ LYS 6 5.791 11.736 1.898 49 H TRP 7 H TRP 7 0.955 7.984 5.184 50 HA TRP 7 HA TRP 7 2.763 5.873 5.947 51 HB2 TRP 7 2HB TRP 7 1.650 8.183 7.508 52 HB3 TRP 7 1HB TRP 7 2.811 7.021 8.156 53 HD1 TRP 7 HD TRP 7 2.683 10.289 6.539 54 HE1 TRP 7 1HE TRP 7 4.985 10.952 5.584 55 HE3 TRP 7 3HE TRP 7 5.019 5.753 6.760 56 HZ2 TRP 7 2HZ TRP 7 7.431 9.736 5.012 57 HZ3 TRP 7 3HZ TRP 7 7.356 5.605 5.954 58 HH2 TRP 7 HH TRP 7 8.509 7.564 5.104 59 H GLU 8 H GLU 8 0.041 5.222 5.239 60 HA GLU 8 HA GLU 8 -1.140 4.312 7.701 61 HB2 GLU 8 2HB GLU 8 -1.963 4.072 4.831 62 HB3 GLU 8 1HB GLU 8 -2.828 3.283 6.138 63 HG2 GLU 8 2HG GLU 8 -2.392 6.217 5.764 64 HG3 GLU 8 1HG GLU 8 -3.914 5.340 5.569 65 H TYR 9 H TYR 9 -1.969 1.933 7.456 66 HA TYR 9 HA TYR 9 0.305 0.382 7.845 67 HB2 TYR 9 2HB TYR 9 -2.512 -0.561 7.348 68 HB3 TYR 9 1HB TYR 9 -1.219 -1.528 8.049 69 HD1 TYR 9 1HD TYR 9 -0.109 -0.392 10.216 70 HD2 TYR 9 2HD TYR 9 -4.017 0.417 8.757 71 HE1 TYR 9 1HE TYR 9 -0.780 0.386 12.445 72 HE2 TYR 9 2HE TYR 9 -4.696 1.202 10.965 73 HH TYR 9 HH TYR 9 -4.016 0.890 13.311 74 H CYS 10 H CYS 10 -1.667 0.813 4.991 75 HA CYS 10 HA CYS 10 -1.513 0.156 2.829 76 HB2 CYS 10 2HB CYS 10 0.811 1.105 3.038 77 HB3 CYS 10 1HB CYS 10 1.395 -0.497 3.476 78 H ILE 11 H ILE 11 -2.131 -1.768 4.989 79 HA ILE 11 HA ILE 11 -1.237 -4.263 3.786 80 HB ILE 11 HB ILE 11 -2.215 -5.388 5.766 81 HG12 ILE 11 2HG1 ILE 11 -2.721 -2.579 6.778 82 HG13 ILE 11 1HG1 ILE 11 -3.959 -3.731 6.301 83 HG21 ILE 11 1HG2 ILE 11 -0.548 -4.612 7.402 84 HG22 ILE 11 2HG2 ILE 11 -0.238 -3.201 6.388 85 HG23 ILE 11 3HG2 ILE 11 0.128 -4.819 5.789 86 HD11 ILE 11 3HD1 ILE 11 -3.761 -3.603 8.708 87 HD12 ILE 11 1HD1 ILE 11 -2.051 -4.024 8.605 88 HD13 ILE 11 2HD1 ILE 11 -3.279 -5.196 8.124 89 H VAL 12 H VAL 12 -2.505 -5.542 2.703 90 HA VAL 12 HA VAL 12 -5.364 -5.198 2.792 91 HB VAL 12 HB VAL 12 -5.431 -5.472 0.239 92 HG11 VAL 12 1HG1 VAL 12 -5.908 -3.324 1.320 93 HG12 VAL 12 2HG1 VAL 12 -5.120 -3.115 -0.237 94 HG13 VAL 12 3HG1 VAL 12 -4.192 -2.912 1.252 95 HG21 VAL 12 3HG2 VAL 12 -3.449 -4.748 -1.024 96 HG22 VAL 12 1HG2 VAL 12 -3.127 -6.208 -0.089 97 HG23 VAL 12 2HG2 VAL 12 -2.535 -4.649 0.480 98 HA PRO 13 HA PRO 13 -5.077 -9.587 2.807 99 HB2 PRO 13 2HB PRO 13 -7.609 -9.989 1.492 100 HB3 PRO 13 1HB PRO 13 -7.241 -10.084 3.212 101 HG2 PRO 13 2HG PRO 13 -8.807 -8.140 2.113 102 HG3 PRO 13 1HG PRO 13 -7.871 -7.919 3.602 103 HD2 PRO 13 2HD PRO 13 -7.228 -7.062 0.806 104 HD3 PRO 13 1HD PRO 13 -7.032 -6.172 2.332 105 H ILE 14 H ILE 14 -4.771 -8.041 -0.023 106 HA ILE 14 HA ILE 14 -4.283 -10.536 -1.434 107 HB ILE 14 HB ILE 14 -4.694 -9.246 -3.603 108 HG12 ILE 14 2HG1 ILE 14 -6.163 -7.357 -1.734 109 HG13 ILE 14 1HG1 ILE 14 -4.710 -6.966 -2.644 110 HG21 ILE 14 1HG2 ILE 14 -6.209 -10.964 -2.854 111 HG22 ILE 14 2HG2 ILE 14 -7.120 -9.630 -3.566 112 HG23 ILE 14 3HG2 ILE 14 -7.045 -9.810 -1.814 113 HD11 ILE 14 3HD1 ILE 14 -5.931 -7.207 -4.727 114 HD12 ILE 14 1HD1 ILE 14 -6.734 -6.048 -3.668 115 HD13 ILE 14 2HD1 ILE 14 -7.380 -7.681 -3.841 116 H LEU 15 H LEU 15 -2.269 -10.797 -1.922 117 HA LEU 15 HA LEU 15 -0.503 -8.564 -1.377 118 HB2 LEU 15 2HB LEU 15 0.099 -11.511 -1.591 119 HB3 LEU 15 1HB LEU 15 1.296 -10.281 -1.267 120 HG LEU 15 HG LEU 15 0.868 -11.264 0.804 121 HD11 LEU 15 1HD1 LEU 15 -0.127 -9.549 2.191 122 HD12 LEU 15 2HD1 LEU 15 -0.818 -8.787 0.766 123 HD13 LEU 15 3HD1 LEU 15 0.932 -8.861 0.959 124 HD21 LEU 15 3HD2 LEU 15 -1.145 -12.526 0.299 125 HD22 LEU 15 1HD2 LEU 15 -2.100 -11.042 0.276 126 HD23 LEU 15 2HD2 LEU 15 -1.377 -11.603 1.783 127 H GLY 16 H GLY 16 1.052 -7.875 -2.741 128 HA2 GLY 16 2HA GLY 16 2.216 -7.879 -4.810 129 HA3 GLY 16 1HA GLY 16 0.928 -8.874 -5.495 130 H PHE 17 H PHE 17 -0.671 -6.837 -3.683 131 HA PHE 17 HA PHE 17 -0.935 -4.800 -5.767 132 HB2 PHE 17 2HB PHE 17 -3.071 -5.990 -3.990 133 HB3 PHE 17 1HB PHE 17 -3.309 -4.592 -5.026 134 HD1 PHE 17 2HD PHE 17 -3.272 -4.855 -7.474 135 HD2 PHE 17 1HD PHE 17 -3.079 -8.205 -4.857 136 HE1 PHE 17 2HE PHE 17 -3.893 -6.335 -9.328 137 HE2 PHE 17 1HE PHE 17 -3.704 -9.693 -6.714 138 HZ PHE 17 HZ PHE 17 -4.114 -8.756 -8.953 139 H VAL 18 H VAL 18 -0.684 -2.779 -5.098 140 HA VAL 18 HA VAL 18 -0.562 -2.310 -2.223 141 HB VAL 18 HB VAL 18 0.677 -0.234 -2.738 142 HG11 VAL 18 1HG1 VAL 18 2.763 -1.256 -3.549 143 HG12 VAL 18 2HG1 VAL 18 1.850 -2.691 -4.021 144 HG13 VAL 18 3HG1 VAL 18 1.951 -2.228 -2.322 145 HG21 VAL 18 3HG2 VAL 18 1.499 0.222 -5.016 146 HG22 VAL 18 1HG2 VAL 18 -0.262 0.275 -4.945 147 HG23 VAL 18 2HG2 VAL 18 0.551 -1.132 -5.627 148 H TYR 19 H TYR 19 -1.868 -0.797 -1.281 149 HA TYR 19 HA TYR 19 -3.671 0.654 -3.015 150 HB2 TYR 19 2HB TYR 19 -4.495 -1.254 -0.869 151 HB3 TYR 19 1HB TYR 19 -5.499 0.130 -1.260 152 HD1 TYR 19 2HD TYR 19 -6.425 0.352 -3.566 153 HD2 TYR 19 1HD TYR 19 -4.495 -3.206 -2.264 154 HE1 TYR 19 2HE TYR 19 -7.480 -0.866 -5.387 155 HE2 TYR 19 1HE TYR 19 -5.547 -4.448 -4.095 156 HH TYR 19 HH TYR 19 -7.655 -4.182 -5.495 157 H CYS 20 H CYS 20 -3.199 2.606 -2.633 158 HA CYS 20 HA CYS 20 -3.756 3.785 -0.084 159 HB2 CYS 20 2HB CYS 20 -1.040 4.133 -1.445 160 HB3 CYS 20 1HB CYS 20 -1.652 5.173 -0.174 161 H CYS 21 H CYS 21 -3.437 6.244 -0.592 162 HA CYS 21 HA CYS 21 -4.948 6.887 -2.852 163 HB2 CYS 21 2HB CYS 21 -3.169 8.589 -1.126 164 HB3 CYS 21 1HB CYS 21 -4.169 9.255 -2.428 165 HA PRO 22 HA PRO 22 -2.281 6.604 -6.223 166 HB2 PRO 22 2HB PRO 22 -3.252 8.558 -7.870 167 HB3 PRO 22 1HB PRO 22 -4.048 7.003 -7.611 168 HG2 PRO 22 2HG PRO 22 -4.643 9.661 -6.409 169 HG3 PRO 22 1HG PRO 22 -5.769 8.397 -6.937 170 HD2 PRO 22 2HD PRO 22 -5.069 8.822 -4.309 171 HD3 PRO 22 1HD PRO 22 -5.563 7.239 -4.941 172 H GLY 23 H GLY 23 -0.298 7.208 -6.562 173 HA2 GLY 23 2HA GLY 23 1.261 8.989 -7.253 174 HA3 GLY 23 1HA GLY 23 0.422 10.037 -6.111 175 H LEU 24 H LEU 24 0.509 7.200 -4.611 176 HA LEU 24 HA LEU 24 2.960 7.953 -3.179 177 HB2 LEU 24 2HB LEU 24 0.765 6.165 -2.119 178 HB3 LEU 24 1HB LEU 24 2.054 6.944 -1.274 179 HG LEU 24 HG LEU 24 -0.113 8.540 -2.599 180 HD11 LEU 24 1HD1 LEU 24 0.118 7.618 0.241 181 HD12 LEU 24 2HD1 LEU 24 -1.148 7.209 -0.935 182 HD13 LEU 24 3HD1 LEU 24 -1.004 8.858 -0.335 183 HD21 LEU 24 3HD2 LEU 24 1.909 9.785 -2.278 184 HD22 LEU 24 1HD2 LEU 24 2.045 9.237 -0.600 185 HD23 LEU 24 2HD2 LEU 24 0.728 10.307 -1.077 186 H ILE 25 H ILE 25 4.189 6.160 -2.334 187 HA ILE 25 HA ILE 25 3.884 3.730 -3.945 188 HB ILE 25 HB ILE 25 6.358 3.453 -3.865 189 HG12 ILE 25 2HG1 ILE 25 6.400 6.374 -3.057 190 HG13 ILE 25 1HG1 ILE 25 6.804 5.027 -2.001 191 HG21 ILE 25 1HG2 ILE 25 5.343 5.866 -5.362 192 HG22 ILE 25 2HG2 ILE 25 5.294 4.189 -5.905 193 HG23 ILE 25 3HG2 ILE 25 6.843 5.010 -5.721 194 HD11 ILE 25 3HD1 ILE 25 8.276 5.836 -4.497 195 HD12 ILE 25 1HD1 ILE 25 8.686 4.468 -3.461 196 HD13 ILE 25 2HD1 ILE 25 8.795 6.109 -2.831 197 H CYS 26 H CYS 26 3.920 1.878 -2.853 198 HA CYS 26 HA CYS 26 4.332 2.085 0.029 199 HB2 CYS 26 2HB CYS 26 2.289 0.970 -0.993 200 HB3 CYS 26 1HB CYS 26 3.358 -0.330 -1.521 201 H GLY 27 H GLY 27 6.395 2.344 0.139 202 HA2 GLY 27 2HA GLY 27 8.249 0.757 -1.373 203 HA3 GLY 27 1HA GLY 27 8.644 2.015 -0.214 204 HA PRO 28 HA PRO 28 9.881 -0.992 2.675 205 HB2 PRO 28 2HB PRO 28 8.973 0.024 5.054 206 HB3 PRO 28 1HB PRO 28 10.393 0.635 4.206 207 HG2 PRO 28 2HG PRO 28 7.601 1.712 4.234 208 HG3 PRO 28 1HG PRO 28 9.133 2.598 4.299 209 HD2 PRO 28 2HD PRO 28 7.680 2.385 2.043 210 HD3 PRO 28 1HD PRO 28 9.453 2.445 2.022 211 H PHE 29 H PHE 29 7.020 -0.160 4.573 212 HA PHE 29 HA PHE 29 5.685 -2.557 3.585 213 HB2 PHE 29 2HB PHE 29 6.971 -2.908 5.782 214 HB3 PHE 29 1HB PHE 29 5.830 -1.789 6.510 215 HD1 PHE 29 1HD PHE 29 6.049 -4.982 4.674 216 HD2 PHE 29 2HD PHE 29 3.822 -2.572 7.347 217 HE1 PHE 29 1HE PHE 29 4.540 -6.883 5.105 218 HE2 PHE 29 2HE PHE 29 2.293 -4.455 7.788 219 HZ PHE 29 HZ PHE 29 2.647 -6.611 6.673 220 H VAL 30 H VAL 30 5.719 0.634 3.858 221 HA VAL 30 HA VAL 30 2.841 0.964 4.048 222 HB VAL 30 HB VAL 30 3.148 3.077 5.296 223 HG11 VAL 30 1HG1 VAL 30 3.725 2.166 7.493 224 HG12 VAL 30 2HG1 VAL 30 4.349 0.707 6.715 225 HG13 VAL 30 3HG1 VAL 30 2.635 1.117 6.591 226 HG21 VAL 30 3HG2 VAL 30 6.037 2.251 5.554 227 HG22 VAL 30 1HG2 VAL 30 5.285 3.634 6.347 228 HG23 VAL 30 2HG2 VAL 30 5.434 3.599 4.588 229 H CYS 31 H CYS 31 2.383 3.291 3.239 230 HA CYS 31 HA CYS 31 3.852 3.694 0.755 231 HB2 CYS 31 2HB CYS 31 1.223 4.713 1.798 232 HB3 CYS 31 1HB CYS 31 1.945 5.291 0.289 233 H VAL 32 H VAL 32 3.871 6.148 0.160 234 HA VAL 32 HA VAL 32 4.726 8.044 1.919 235 HB VAL 32 HB VAL 32 6.479 6.485 2.655 236 HG11 VAL 32 1HG1 VAL 32 6.710 5.102 0.652 237 HG12 VAL 32 2HG1 VAL 32 8.282 5.742 1.132 238 HG13 VAL 32 3HG1 VAL 32 7.414 6.460 -0.225 239 HG21 VAL 32 3HG2 VAL 32 7.021 8.826 2.662 240 HG22 VAL 32 1HG2 VAL 32 7.603 8.741 0.996 241 HG23 VAL 32 2HG2 VAL 32 8.452 7.875 2.288
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