NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
629284 | 6b9k | 30350 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 -0.572 -4.026 -0.632 2 HA ARG 1 HA ARG 1 -0.276 -1.235 -0.911 3 HB2 ARG 1 2HB ARG 1 2.132 -1.005 -0.634 4 HB3 ARG 1 3HB ARG 1 1.394 -1.540 0.870 5 HG2 ARG 1 2HG ARG 1 2.190 -3.754 0.576 6 HG3 ARG 1 3HG ARG 1 2.691 -3.419 -1.083 7 HD2 ARG 1 2HD ARG 1 4.368 -1.846 -0.265 8 HD3 ARG 1 3HD ARG 1 3.855 -2.151 1.394 9 HE ARG 1 HE ARG 1 5.558 -3.800 -0.220 10 HH11 ARG 1 1HH1 ARG 1 3.307 -3.773 2.436 11 HH12 ARG 1 2HH1 ARG 1 3.950 -5.206 3.166 12 HH21 ARG 1 1HH2 ARG 1 6.414 -5.688 0.732 13 HH22 ARG 1 2HH2 ARG 1 5.718 -6.294 2.197 14 H GLY 2 H GLY 2 0.962 -0.649 -2.849 15 HA2 GLY 2 2HA GLY 2 2.293 -2.153 -4.629 16 HA3 GLY 2 3HA GLY 2 0.640 -2.692 -4.884 17 HA PRO 3 HA PRO 3 0.821 1.999 -6.108 18 HB2 PRO 3 2HB PRO 3 3.309 3.040 -6.419 19 HB3 PRO 3 3HB PRO 3 2.426 3.103 -4.889 20 HG2 PRO 3 2HG PRO 3 4.576 1.210 -5.760 21 HG3 PRO 3 3HG PRO 3 4.363 2.018 -4.196 22 HD2 PRO 3 2HD PRO 3 3.651 -0.561 -4.612 23 HD3 PRO 3 3HD PRO 3 2.781 0.499 -3.485 24 H GLY 4 H GLY 4 3.309 -0.233 -7.219 25 HA2 GLY 4 2HA GLY 4 2.900 0.724 -9.978 26 HA3 GLY 4 3HA GLY 4 4.311 -0.160 -9.417 27 H ARG 5 H ARG 5 0.881 -0.434 -10.177 28 HA ARG 5 HA ARG 5 1.232 -3.347 -10.433 29 HB2 ARG 5 2HB ARG 5 -1.323 -3.354 -10.355 30 HB3 ARG 5 3HB ARG 5 -0.477 -2.985 -8.857 31 HG2 ARG 5 2HG ARG 5 -1.176 -0.821 -8.829 32 HG3 ARG 5 3HG ARG 5 -1.266 -0.711 -10.588 33 HD2 ARG 5 2HD ARG 5 -3.167 -2.365 -8.943 34 HD3 ARG 5 3HD ARG 5 -3.472 -0.679 -9.357 35 HE ARG 5 HE ARG 5 -2.896 -2.054 -11.715 36 HH11 ARG 5 1HH1 ARG 5 -5.349 -1.970 -9.246 37 HH12 ARG 5 2HH1 ARG 5 -6.620 -2.480 -10.308 38 HH21 ARG 5 1HH2 ARG 5 -4.561 -2.725 -13.123 39 HH22 ARG 5 2HH2 ARG 5 -6.170 -2.910 -12.513 40 H ALA 6 H ALA 6 2.263 -2.114 -12.512 41 HA ALA 6 HA ALA 6 0.250 -2.476 -14.625 42 HB1 ALA 6 1HB ALA 6 1.366 -0.633 -15.895 43 HB2 ALA 6 2HB ALA 6 0.503 -0.110 -14.448 44 HB3 ALA 6 3HB ALA 6 2.262 -0.243 -14.426 45 H PHE 7 H PHE 7 1.423 -4.644 -14.361 46 HA PHE 7 HA PHE 7 4.077 -4.793 -15.476 47 HB2 PHE 7 2HB PHE 7 2.173 -7.086 -14.990 48 HB3 PHE 7 3HB PHE 7 3.929 -7.152 -15.107 49 HD1 PHE 7 HD1 PHE 7 1.468 -7.591 -12.875 50 HD2 PHE 7 HD2 PHE 7 4.942 -5.181 -13.366 51 HE1 PHE 7 HE1 PHE 7 1.634 -7.338 -10.433 52 HE2 PHE 7 HE2 PHE 7 5.114 -4.925 -10.925 53 HZ PHE 7 HZ PHE 7 3.459 -6.005 -9.455 54 H VAL 8 H VAL 8 3.010 -3.521 -17.399 55 HA VAL 8 HA VAL 8 2.312 -5.518 -19.451 56 HB VAL 8 HB VAL 8 1.287 -2.678 -19.316 57 HG11 VAL 8 1HG1 VAL 8 1.459 -3.240 -21.589 58 HG12 VAL 8 2HG1 VAL 8 0.925 -4.898 -21.307 59 HG13 VAL 8 3HG1 VAL 8 -0.223 -3.565 -21.170 60 HG21 VAL 8 1HG2 VAL 8 -0.919 -3.758 -18.958 61 HG22 VAL 8 2HG2 VAL 8 -0.093 -5.306 -18.782 62 HG23 VAL 8 3HG2 VAL 8 0.209 -4.010 -17.626 63 H THR 9 H THR 9 3.285 -2.088 -19.273 64 HA THR 9 HA THR 9 5.079 -2.530 -21.543 65 HB THR 9 HB THR 9 3.504 -0.621 -21.656 66 HG1 THR 9 HG1 THR 9 5.247 -0.224 -22.885 67 HG21 THR 9 1HG2 THR 9 5.024 1.091 -19.854 68 HG22 THR 9 2HG2 THR 9 4.190 -0.216 -19.013 69 HG23 THR 9 3HG2 THR 9 3.280 0.902 -20.029 70 H ILE 10 H ILE 10 5.727 -3.518 -18.874 71 HA ILE 10 HA ILE 10 8.139 -1.907 -18.343 72 HB ILE 10 HB ILE 10 6.502 -1.928 -16.464 73 HG12 ILE 10 2HG1 ILE 10 9.084 -3.380 -15.847 74 HG13 ILE 10 3HG1 ILE 10 8.958 -1.647 -16.125 75 HG21 ILE 10 1HG2 ILE 10 7.197 -4.848 -16.213 76 HG22 ILE 10 2HG2 ILE 10 6.076 -3.921 -15.217 77 HG23 ILE 10 3HG2 ILE 10 5.691 -4.248 -16.907 78 HD11 ILE 10 1HD1 ILE 10 7.073 -2.412 -14.128 79 HD12 ILE 10 2HD1 ILE 10 8.666 -3.044 -13.709 80 HD13 ILE 10 3HD1 ILE 10 8.451 -1.318 -14.003 Start of MODEL 2 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 1.537 0.567 -1.973 3 HB2 ARG 1 2HB ARG 1 3.351 1.439 -0.283 4 HB3 ARG 1 3HB ARG 1 4.151 -0.080 -0.668 5 HG2 ARG 1 2HG ARG 1 3.734 0.696 -3.140 6 HG3 ARG 1 3HG ARG 1 3.648 2.291 -2.389 7 HD2 ARG 1 2HD ARG 1 5.920 0.395 -1.868 8 HD3 ARG 1 3HD ARG 1 5.927 1.511 -3.233 9 HE ARG 1 HE ARG 1 6.371 2.153 -0.478 10 HH11 ARG 1 1HH1 ARG 1 5.234 3.383 -3.529 11 HH12 ARG 1 2HH1 ARG 1 5.575 5.036 -3.138 12 HH21 ARG 1 1HH2 ARG 1 6.826 4.326 0.049 13 HH22 ARG 1 2HH2 ARG 1 6.482 5.571 -1.104 14 H GLY 2 H GLY 2 2.387 -0.753 -3.647 15 HA2 GLY 2 2HA GLY 2 2.932 -3.550 -2.919 16 HA3 GLY 2 3HA GLY 2 1.656 -3.199 -4.075 17 HA PRO 3 HA PRO 3 5.694 -3.840 -6.329 18 HB2 PRO 3 2HB PRO 3 4.751 -5.745 -8.019 19 HB3 PRO 3 3HB PRO 3 5.428 -6.120 -6.430 20 HG2 PRO 3 2HG PRO 3 2.562 -5.880 -7.260 21 HG3 PRO 3 3HG PRO 3 3.326 -7.093 -6.216 22 HD2 PRO 3 2HD PRO 3 1.920 -5.000 -5.230 23 HD3 PRO 3 3HD PRO 3 3.309 -5.703 -4.377 24 H GLY 4 H GLY 4 2.361 -3.796 -7.579 25 HA2 GLY 4 2HA GLY 4 1.978 -1.643 -8.905 26 HA3 GLY 4 3HA GLY 4 3.321 -2.221 -9.881 27 H ARG 5 H ARG 5 -0.039 -2.342 -9.350 28 HA ARG 5 HA ARG 5 -0.530 -4.792 -10.767 29 HB2 ARG 5 2HB ARG 5 -2.012 -3.547 -8.995 30 HB3 ARG 5 3HB ARG 5 -2.611 -2.673 -10.398 31 HG2 ARG 5 2HG ARG 5 -2.972 -5.056 -11.385 32 HG3 ARG 5 3HG ARG 5 -2.909 -5.553 -9.693 33 HD2 ARG 5 2HD ARG 5 -5.201 -5.169 -10.310 34 HD3 ARG 5 3HD ARG 5 -4.689 -3.905 -9.192 35 HE ARG 5 HE ARG 5 -4.251 -2.888 -11.708 36 HH11 ARG 5 1HH1 ARG 5 -6.980 -4.103 -9.921 37 HH12 ARG 5 2HH1 ARG 5 -8.129 -3.093 -10.736 38 HH21 ARG 5 1HH2 ARG 5 -5.753 -1.553 -12.788 39 HH22 ARG 5 2HH2 ARG 5 -7.430 -1.644 -12.367 40 H ALA 6 H ALA 6 0.990 -3.872 -12.535 41 HA ALA 6 HA ALA 6 -0.581 -3.366 -14.828 42 HB1 ALA 6 1HB ALA 6 -0.839 -1.143 -14.449 43 HB2 ALA 6 2HB ALA 6 0.627 -1.023 -13.475 44 HB3 ALA 6 3HB ALA 6 0.740 -1.091 -15.234 45 H PHE 7 H PHE 7 0.501 -4.814 -16.021 46 HA PHE 7 HA PHE 7 3.365 -5.068 -15.894 47 HB2 PHE 7 2HB PHE 7 1.521 -6.354 -17.908 48 HB3 PHE 7 3HB PHE 7 3.113 -6.906 -17.397 49 HD1 PHE 7 HD1 PHE 7 -0.096 -7.834 -17.255 50 HD2 PHE 7 HD2 PHE 7 3.083 -6.939 -14.570 51 HE1 PHE 7 HE1 PHE 7 -1.146 -9.256 -15.543 52 HE2 PHE 7 HE2 PHE 7 2.038 -8.361 -12.854 53 HZ PHE 7 HZ PHE 7 -0.079 -9.522 -13.340 54 H VAL 8 H VAL 8 3.271 -2.591 -16.526 55 HA VAL 8 HA VAL 8 3.799 -2.478 -19.420 56 HB VAL 8 HB VAL 8 2.466 -0.309 -17.791 57 HG11 VAL 8 1HG1 VAL 8 3.297 1.066 -19.336 58 HG12 VAL 8 2HG1 VAL 8 3.876 -0.276 -20.325 59 HG13 VAL 8 3HG1 VAL 8 2.211 0.284 -20.484 60 HG21 VAL 8 1HG2 VAL 8 0.482 -0.755 -19.046 61 HG22 VAL 8 2HG2 VAL 8 1.323 -1.924 -20.065 62 HG23 VAL 8 3HG2 VAL 8 1.039 -2.283 -18.363 63 H THR 9 H THR 9 4.124 -0.318 -16.599 64 HA THR 9 HA THR 9 6.826 0.362 -17.488 65 HB THR 9 HB THR 9 5.278 2.210 -16.935 66 HG1 THR 9 HG1 THR 9 7.287 2.913 -16.618 67 HG21 THR 9 1HG2 THR 9 4.583 2.628 -14.670 68 HG22 THR 9 2HG2 THR 9 5.486 1.229 -14.088 69 HG23 THR 9 3HG2 THR 9 4.071 1.001 -15.116 70 H ILE 10 H ILE 10 6.221 -2.228 -16.257 71 HA ILE 10 HA ILE 10 7.709 -2.003 -13.731 72 HB ILE 10 HB ILE 10 5.547 -3.137 -13.543 73 HG12 ILE 10 2HG1 ILE 10 7.675 -5.252 -13.296 74 HG13 ILE 10 3HG1 ILE 10 7.672 -3.835 -12.252 75 HG21 ILE 10 1HG2 ILE 10 6.702 -5.094 -15.525 76 HG22 ILE 10 2HG2 ILE 10 5.197 -5.316 -14.635 77 HG23 ILE 10 3HG2 ILE 10 5.347 -3.999 -15.798 78 HD11 ILE 10 1HD1 ILE 10 6.513 -6.079 -11.536 79 HD12 ILE 10 2HD1 ILE 10 5.823 -4.513 -11.111 80 HD13 ILE 10 3HD1 ILE 10 5.174 -5.421 -12.476 Start of MODEL 3 1 H1 ARG 1 H ARG 1 5.225 -1.115 -1.057 2 HA ARG 1 HA ARG 1 4.146 1.487 -1.638 3 HB2 ARG 1 2HB ARG 1 5.626 -0.505 -3.363 4 HB3 ARG 1 3HB ARG 1 5.166 1.109 -3.887 5 HG2 ARG 1 2HG ARG 1 7.045 0.427 -1.635 6 HG3 ARG 1 3HG ARG 1 7.484 1.073 -3.218 7 HD2 ARG 1 2HD ARG 1 6.053 3.068 -2.687 8 HD3 ARG 1 3HD ARG 1 5.904 2.437 -1.047 9 HE ARG 1 HE ARG 1 8.622 2.583 -1.702 10 HH11 ARG 1 1HH1 ARG 1 5.914 4.687 -1.103 11 HH12 ARG 1 2HH1 ARG 1 6.890 5.988 -0.507 12 HH21 ARG 1 1HH2 ARG 1 9.918 4.289 -0.919 13 HH22 ARG 1 2HH2 ARG 1 9.167 5.761 -0.403 14 H GLY 2 H GLY 2 3.884 -1.522 -3.534 15 HA2 GLY 2 2HA GLY 2 0.998 -1.307 -3.619 16 HA3 GLY 2 3HA GLY 2 1.798 -0.944 -5.141 17 HA PRO 3 HA PRO 3 1.092 -5.597 -4.493 18 HB2 PRO 3 2HB PRO 3 -0.913 -5.926 -6.293 19 HB3 PRO 3 3HB PRO 3 -1.203 -5.560 -4.588 20 HG2 PRO 3 2HG PRO 3 -1.206 -3.718 -6.948 21 HG3 PRO 3 3HG PRO 3 -2.334 -3.787 -5.582 22 HD2 PRO 3 2HD PRO 3 -0.339 -1.963 -5.734 23 HD3 PRO 3 3HD PRO 3 -0.914 -2.622 -4.189 24 H GLY 4 H GLY 4 0.870 -3.622 -7.444 25 HA2 GLY 4 2HA GLY 4 2.384 -3.694 -9.241 26 HA3 GLY 4 3HA GLY 4 3.002 -5.222 -8.630 27 H ARG 5 H ARG 5 -0.029 -3.869 -9.934 28 HA ARG 5 HA ARG 5 -0.334 -6.354 -11.489 29 HB2 ARG 5 2HB ARG 5 -2.807 -5.864 -11.407 30 HB3 ARG 5 3HB ARG 5 -2.080 -6.326 -9.874 31 HG2 ARG 5 2HG ARG 5 -2.327 -4.239 -8.966 32 HG3 ARG 5 3HG ARG 5 -2.308 -3.435 -10.537 33 HD2 ARG 5 2HD ARG 5 -4.550 -5.138 -9.454 34 HD3 ARG 5 3HD ARG 5 -4.531 -3.376 -9.506 35 HE ARG 5 HE ARG 5 -4.101 -4.217 -12.095 36 HH11 ARG 5 1HH1 ARG 5 -6.592 -4.575 -9.689 37 HH12 ARG 5 2HH1 ARG 5 -7.874 -4.705 -10.848 38 HH21 ARG 5 1HH2 ARG 5 -5.780 -4.387 -13.630 39 HH22 ARG 5 2HH2 ARG 5 -7.411 -4.599 -13.089 40 H ALA 6 H ALA 6 1.148 -4.732 -12.806 41 HA ALA 6 HA ALA 6 -0.411 -3.911 -15.041 42 HB1 ALA 6 1HB ALA 6 -0.321 -1.996 -13.101 43 HB2 ALA 6 2HB ALA 6 1.043 -1.544 -14.124 44 HB3 ALA 6 3HB ALA 6 -0.571 -1.688 -14.820 45 H PHE 7 H PHE 7 0.912 -5.026 -16.379 46 HA PHE 7 HA PHE 7 3.784 -4.819 -16.180 47 HB2 PHE 7 2HB PHE 7 2.201 -6.113 -18.401 48 HB3 PHE 7 3HB PHE 7 3.867 -6.440 -17.934 49 HD1 PHE 7 HD1 PHE 7 3.838 -6.865 -15.134 50 HD2 PHE 7 HD2 PHE 7 0.887 -7.945 -18.004 51 HE1 PHE 7 HE1 PHE 7 3.069 -8.675 -13.656 52 HE2 PHE 7 HE2 PHE 7 0.112 -9.757 -16.531 53 HZ PHE 7 HZ PHE 7 1.203 -10.124 -14.353 54 H VAL 8 H VAL 8 3.275 -2.335 -16.468 55 HA VAL 8 HA VAL 8 3.664 -1.720 -19.325 56 HB VAL 8 HB VAL 8 2.281 0.031 -17.288 57 HG11 VAL 8 1HG1 VAL 8 2.964 1.650 -18.684 58 HG12 VAL 8 2HG1 VAL 8 3.352 0.511 -19.975 59 HG13 VAL 8 3HG1 VAL 8 1.688 1.048 -19.741 60 HG21 VAL 8 1HG2 VAL 8 0.844 -1.799 -17.854 61 HG22 VAL 8 2HG2 VAL 8 0.273 -0.370 -18.715 62 HG23 VAL 8 3HG2 VAL 8 1.191 -1.607 -19.572 63 H THR 9 H THR 9 3.983 0.019 -16.228 64 HA THR 9 HA THR 9 6.550 1.079 -17.138 65 HB THR 9 HB THR 9 4.881 2.665 -16.234 66 HG1 THR 9 HG1 THR 9 6.759 3.592 -15.856 67 HG21 THR 9 1HG2 THR 9 4.398 2.689 -13.838 68 HG22 THR 9 2HG2 THR 9 5.337 1.211 -13.626 69 HG23 THR 9 3HG2 THR 9 3.850 1.183 -14.573 70 H ILE 10 H ILE 10 6.302 -1.704 -16.315 71 HA ILE 10 HA ILE 10 7.969 -1.688 -13.886 72 HB ILE 10 HB ILE 10 5.861 -2.960 -13.678 73 HG12 ILE 10 2HG1 ILE 10 8.281 -4.773 -13.710 74 HG13 ILE 10 3HG1 ILE 10 7.950 -3.594 -12.446 75 HG21 ILE 10 1HG2 ILE 10 5.379 -4.872 -14.972 76 HG22 ILE 10 2HG2 ILE 10 5.843 -3.621 -16.123 77 HG23 ILE 10 3HG2 ILE 10 6.990 -4.887 -15.689 78 HD11 ILE 10 1HD1 ILE 10 6.186 -5.921 -13.171 79 HD12 ILE 10 2HD1 ILE 10 7.283 -5.843 -11.792 80 HD13 ILE 10 3HD1 ILE 10 5.897 -4.757 -11.879 Start of MODEL 4 1 H1 ARG 1 H ARG 1 2.200 1.021 -0.149 2 HA ARG 1 HA ARG 1 4.156 0.817 -2.138 3 HB2 ARG 1 2HB ARG 1 3.960 -0.329 0.640 4 HB3 ARG 1 3HB ARG 1 5.367 -0.602 -0.378 5 HG2 ARG 1 2HG ARG 1 5.841 1.743 -0.463 6 HG3 ARG 1 3HG ARG 1 4.332 2.122 0.371 7 HD2 ARG 1 2HD ARG 1 5.186 0.779 2.313 8 HD3 ARG 1 3HD ARG 1 6.737 0.687 1.479 9 HE ARG 1 HE ARG 1 5.709 2.907 2.936 10 HH11 ARG 1 1HH1 ARG 1 7.683 2.031 0.206 11 HH12 ARG 1 2HH1 ARG 1 8.626 3.485 0.255 12 HH21 ARG 1 1HH2 ARG 1 6.943 4.824 3.011 13 HH22 ARG 1 2HH2 ARG 1 8.204 5.072 1.852 14 H GLY 2 H GLY 2 1.736 -0.638 -2.844 15 HA2 GLY 2 2HA GLY 2 2.279 -3.447 -2.669 16 HA3 GLY 2 3HA GLY 2 1.044 -2.684 -3.659 17 HA PRO 3 HA PRO 3 4.544 -4.351 -6.316 18 HB2 PRO 3 2HB PRO 3 3.026 -6.083 -7.754 19 HB3 PRO 3 3HB PRO 3 3.818 -6.530 -6.238 20 HG2 PRO 3 2HG PRO 3 0.973 -5.737 -6.727 21 HG3 PRO 3 3HG PRO 3 1.612 -7.041 -5.709 22 HD2 PRO 3 2HD PRO 3 0.793 -4.668 -4.694 23 HD3 PRO 3 3HD PRO 3 2.115 -5.610 -3.973 24 H GLY 4 H GLY 4 1.249 -3.292 -6.917 25 HA2 GLY 4 2HA GLY 4 0.589 -1.612 -8.400 26 HA3 GLY 4 3HA GLY 4 2.183 -1.671 -9.139 27 H ARG 5 H ARG 5 -1.063 -2.581 -9.416 28 HA ARG 5 HA ARG 5 -0.686 -4.818 -11.173 29 HB2 ARG 5 2HB ARG 5 -2.745 -4.196 -9.687 30 HB3 ARG 5 3HB ARG 5 -3.212 -3.209 -11.065 31 HG2 ARG 5 2HG ARG 5 -2.635 -5.586 -12.262 32 HG3 ARG 5 3HG ARG 5 -3.297 -6.108 -10.711 33 HD2 ARG 5 2HD ARG 5 -5.045 -5.908 -12.408 34 HD3 ARG 5 3HD ARG 5 -5.289 -4.760 -11.092 35 HE ARG 5 HE ARG 5 -3.836 -3.481 -13.106 36 HH11 ARG 5 1HH1 ARG 5 -7.005 -4.822 -12.579 37 HH12 ARG 5 2HH1 ARG 5 -7.789 -3.741 -13.683 38 HH21 ARG 5 1HH2 ARG 5 -4.857 -2.051 -14.561 39 HH22 ARG 5 2HH2 ARG 5 -6.566 -2.166 -14.810 40 H ALA 6 H ALA 6 0.931 -3.361 -12.415 41 HA ALA 6 HA ALA 6 -0.460 -2.441 -14.807 42 HB1 ALA 6 1HB ALA 6 1.499 -0.729 -13.285 43 HB2 ALA 6 2HB ALA 6 0.924 -0.387 -14.917 44 HB3 ALA 6 3HB ALA 6 -0.210 -0.396 -13.567 45 H PHE 7 H PHE 7 0.573 -4.668 -15.180 46 HA PHE 7 HA PHE 7 3.423 -4.680 -15.608 47 HB2 PHE 7 2HB PHE 7 1.429 -6.747 -16.539 48 HB3 PHE 7 3HB PHE 7 3.155 -6.964 -16.271 49 HD1 PHE 7 HD1 PHE 7 3.569 -5.743 -13.666 50 HD2 PHE 7 HD2 PHE 7 0.353 -8.155 -15.064 51 HE1 PHE 7 HE1 PHE 7 3.118 -6.473 -11.360 52 HE2 PHE 7 HE2 PHE 7 -0.104 -8.888 -12.760 53 HZ PHE 7 HZ PHE 7 1.279 -8.046 -10.904 54 H VAL 8 H VAL 8 3.034 -2.680 -17.051 55 HA VAL 8 HA VAL 8 2.773 -3.619 -19.832 56 HB VAL 8 HB VAL 8 1.982 -0.870 -18.869 57 HG11 VAL 8 1HG1 VAL 8 1.311 -2.204 -21.479 58 HG12 VAL 8 2HG1 VAL 8 1.154 -0.500 -21.047 59 HG13 VAL 8 3HG1 VAL 8 2.753 -1.213 -21.260 60 HG21 VAL 8 1HG2 VAL 8 0.515 -3.387 -18.850 61 HG22 VAL 8 2HG2 VAL 8 0.144 -1.855 -18.060 62 HG23 VAL 8 3HG2 VAL 8 -0.311 -2.111 -19.744 63 H THR 9 H THR 9 3.822 -0.646 -18.163 64 HA THR 9 HA THR 9 6.151 -0.530 -19.924 65 HB THR 9 HB THR 9 4.762 1.506 -19.651 66 HG1 THR 9 HG1 THR 9 6.525 2.797 -19.630 67 HG21 THR 9 1HG2 THR 9 5.884 2.053 -16.972 68 HG22 THR 9 2HG2 THR 9 4.581 0.866 -17.041 69 HG23 THR 9 3HG2 THR 9 4.323 2.497 -17.660 70 H ILE 10 H ILE 10 6.057 -2.516 -17.831 71 HA ILE 10 HA ILE 10 8.395 -1.635 -16.275 72 HB ILE 10 HB ILE 10 6.364 -1.715 -14.838 73 HG12 ILE 10 2HG1 ILE 10 8.275 -3.920 -14.079 74 HG13 ILE 10 3HG1 ILE 10 8.753 -2.225 -14.069 75 HG21 ILE 10 1HG2 ILE 10 5.537 -3.797 -16.224 76 HG22 ILE 10 2HG2 ILE 10 6.391 -4.686 -14.964 77 HG23 ILE 10 3HG2 ILE 10 5.082 -3.585 -14.534 78 HD11 ILE 10 1HD1 ILE 10 7.878 -3.408 -11.903 79 HD12 ILE 10 2HD1 ILE 10 7.459 -1.732 -12.257 80 HD13 ILE 10 3HD1 ILE 10 6.302 -3.020 -12.591 Start of MODEL 5 1 H1 ARG 1 H ARG 1 3.000 -0.336 0.169 2 HA ARG 1 HA ARG 1 1.012 -0.106 -1.995 3 HB2 ARG 1 2HB ARG 1 3.822 0.884 -1.763 4 HB3 ARG 1 3HB ARG 1 3.209 0.435 -3.349 5 HG2 ARG 1 2HG ARG 1 1.490 2.071 -3.239 6 HG3 ARG 1 3HG ARG 1 1.827 2.395 -1.538 7 HD2 ARG 1 2HD ARG 1 3.747 2.897 -3.808 8 HD3 ARG 1 3HD ARG 1 2.728 4.126 -3.060 9 HE ARG 1 HE ARG 1 5.176 3.066 -2.035 10 HH11 ARG 1 1HH1 ARG 1 2.104 4.437 -1.138 11 HH12 ARG 1 2HH1 ARG 1 2.671 5.041 0.384 12 HH21 ARG 1 1HH2 ARG 1 5.934 3.855 -0.034 13 HH22 ARG 1 2HH2 ARG 1 4.849 4.710 1.011 14 H GLY 2 H GLY 2 1.652 -1.298 -4.014 15 HA2 GLY 2 2HA GLY 2 2.600 -3.968 -3.244 16 HA3 GLY 2 3HA GLY 2 1.626 -3.590 -4.658 17 HA PRO 3 HA PRO 3 6.146 -4.101 -5.826 18 HB2 PRO 3 2HB PRO 3 5.769 -6.156 -7.560 19 HB3 PRO 3 3HB PRO 3 6.072 -6.397 -5.835 20 HG2 PRO 3 2HG PRO 3 3.477 -6.439 -7.327 21 HG3 PRO 3 3HG PRO 3 4.054 -7.532 -6.056 22 HD2 PRO 3 2HD PRO 3 2.310 -5.520 -5.566 23 HD3 PRO 3 3HD PRO 3 3.502 -6.063 -4.367 24 H GLY 4 H GLY 4 3.149 -4.203 -7.707 25 HA2 GLY 4 2HA GLY 4 3.409 -2.031 -9.248 26 HA3 GLY 4 3HA GLY 4 4.475 -3.159 -10.073 27 H ARG 5 H ARG 5 1.154 -2.517 -9.125 28 HA ARG 5 HA ARG 5 0.097 -4.767 -10.574 29 HB2 ARG 5 2HB ARG 5 -0.895 -3.478 -8.511 30 HB3 ARG 5 3HB ARG 5 -1.575 -2.427 -9.746 31 HG2 ARG 5 2HG ARG 5 -2.393 -4.691 -10.781 32 HG3 ARG 5 3HG ARG 5 -2.186 -5.271 -9.128 33 HD2 ARG 5 2HD ARG 5 -4.412 -4.569 -9.212 34 HD3 ARG 5 3HD ARG 5 -3.566 -3.229 -8.438 35 HE ARG 5 HE ARG 5 -3.631 -2.739 -11.185 36 HH11 ARG 5 1HH1 ARG 5 -5.832 -2.989 -8.499 37 HH12 ARG 5 2HH1 ARG 5 -6.988 -1.890 -9.176 38 HH21 ARG 5 1HH2 ARG 5 -5.146 -1.291 -12.086 39 HH22 ARG 5 2HH2 ARG 5 -6.597 -0.926 -11.217 40 H ALA 6 H ALA 6 1.426 -3.944 -12.518 41 HA ALA 6 HA ALA 6 -0.384 -3.030 -14.481 42 HB1 ALA 6 1HB ALA 6 -0.234 -0.833 -13.879 43 HB2 ALA 6 2HB ALA 6 1.406 -1.001 -13.250 44 HB3 ALA 6 3HB ALA 6 1.132 -0.931 -14.991 45 H PHE 7 H PHE 7 0.264 -4.492 -15.938 46 HA PHE 7 HA PHE 7 3.046 -5.151 -16.301 47 HB2 PHE 7 2HB PHE 7 0.735 -6.019 -18.039 48 HB3 PHE 7 3HB PHE 7 2.290 -6.818 -17.835 49 HD1 PHE 7 HD1 PHE 7 2.649 -6.927 -14.976 50 HD2 PHE 7 HD2 PHE 7 -0.895 -7.450 -17.275 51 HE1 PHE 7 HE1 PHE 7 1.697 -8.322 -13.185 52 HE2 PHE 7 HE2 PHE 7 -1.852 -8.844 -15.488 53 HZ PHE 7 HZ PHE 7 -0.557 -9.281 -13.440 54 H VAL 8 H VAL 8 3.214 -2.645 -16.776 55 HA VAL 8 HA VAL 8 3.265 -2.376 -19.708 56 HB VAL 8 HB VAL 8 2.590 -0.174 -17.752 57 HG11 VAL 8 1HG1 VAL 8 3.489 -0.162 -20.517 58 HG12 VAL 8 2HG1 VAL 8 1.956 0.682 -20.294 59 HG13 VAL 8 3HG1 VAL 8 3.372 1.163 -19.359 60 HG21 VAL 8 1HG2 VAL 8 0.381 -0.198 -18.850 61 HG22 VAL 8 2HG2 VAL 8 0.873 -1.623 -19.766 62 HG23 VAL 8 3HG2 VAL 8 0.734 -1.708 -18.010 63 H THR 9 H THR 9 4.401 -0.540 -16.867 64 HA THR 9 HA THR 9 6.988 -0.192 -18.190 65 HB THR 9 HB THR 9 5.817 1.807 -17.262 66 HG1 THR 9 HG1 THR 9 8.226 1.343 -15.837 67 HG21 THR 9 1HG2 THR 9 5.674 2.159 -14.896 68 HG22 THR 9 2HG2 THR 9 6.518 0.646 -14.567 69 HG23 THR 9 3HG2 THR 9 4.896 0.619 -15.257 70 H ILE 10 H ILE 10 6.139 -2.732 -16.938 71 HA ILE 10 HA ILE 10 8.218 -2.929 -14.857 72 HB ILE 10 HB ILE 10 5.916 -3.393 -14.044 73 HG12 ILE 10 2HG1 ILE 10 7.617 -5.890 -14.052 74 HG13 ILE 10 3HG1 ILE 10 8.006 -4.463 -13.097 75 HG21 ILE 10 1HG2 ILE 10 5.922 -5.962 -15.555 76 HG22 ILE 10 2HG2 ILE 10 4.570 -5.059 -14.875 77 HG23 ILE 10 3HG2 ILE 10 5.352 -4.496 -16.352 78 HD11 ILE 10 1HD1 ILE 10 6.185 -4.755 -11.695 79 HD12 ILE 10 2HD1 ILE 10 5.342 -5.794 -12.845 80 HD13 ILE 10 3HD1 ILE 10 6.752 -6.401 -11.978 Start of MODEL 6 1 H1 ARG 1 H ARG 1 2.534 1.835 -6.354 2 HA ARG 1 HA ARG 1 3.735 1.610 -3.785 3 HB2 ARG 1 2HB ARG 1 1.303 2.481 -3.401 4 HB3 ARG 1 3HB ARG 1 0.842 0.824 -3.766 5 HG2 ARG 1 2HG ARG 1 2.082 -0.011 -1.913 6 HG3 ARG 1 3HG ARG 1 2.821 1.566 -1.627 7 HD2 ARG 1 2HD ARG 1 0.920 2.440 -0.691 8 HD3 ARG 1 3HD ARG 1 -0.146 1.359 -1.587 9 HE ARG 1 HE ARG 1 1.186 -0.310 0.081 10 HH11 ARG 1 1HH1 ARG 1 -0.636 2.619 0.555 11 HH12 ARG 1 2HH1 ARG 1 -1.165 2.186 2.147 12 HH21 ARG 1 1HH2 ARG 1 0.495 -0.891 2.175 13 HH22 ARG 1 2HH2 ARG 1 -0.521 0.190 3.068 14 H GLY 2 H GLY 2 4.376 -0.464 -3.374 15 HA2 GLY 2 2HA GLY 2 4.323 -2.812 -3.569 16 HA3 GLY 2 3HA GLY 2 3.187 -2.653 -4.900 17 HA PRO 3 HA PRO 3 7.489 -3.622 -6.500 18 HB2 PRO 3 2HB PRO 3 6.805 -5.910 -7.792 19 HB3 PRO 3 3HB PRO 3 7.316 -5.878 -6.100 20 HG2 PRO 3 2HG PRO 3 4.551 -6.001 -7.242 21 HG3 PRO 3 3HG PRO 3 5.239 -6.901 -5.877 22 HD2 PRO 3 2HD PRO 3 3.660 -4.727 -5.541 23 HD3 PRO 3 3HD PRO 3 4.972 -5.137 -4.417 24 H GLY 4 H GLY 4 4.275 -3.395 -7.801 25 HA2 GLY 4 2HA GLY 4 4.508 -1.682 -9.775 26 HA3 GLY 4 3HA GLY 4 5.289 -3.064 -10.530 27 H ARG 5 H ARG 5 2.264 -1.872 -9.179 28 HA ARG 5 HA ARG 5 0.753 -4.144 -10.102 29 HB2 ARG 5 2HB ARG 5 0.282 -2.504 -8.097 30 HB3 ARG 5 3HB ARG 5 -0.522 -1.550 -9.336 31 HG2 ARG 5 2HG ARG 5 -1.694 -3.842 -9.873 32 HG3 ARG 5 3HG ARG 5 -1.255 -4.195 -8.201 33 HD2 ARG 5 2HD ARG 5 -3.468 -3.267 -8.234 34 HD3 ARG 5 3HD ARG 5 -2.371 -2.085 -7.521 35 HE ARG 5 HE ARG 5 -2.641 -1.633 -10.300 36 HH11 ARG 5 1HH1 ARG 5 -4.348 -1.277 -7.288 37 HH12 ARG 5 2HH1 ARG 5 -5.295 0.068 -7.833 38 HH21 ARG 5 1HH2 ARG 5 -3.881 0.137 -11.030 39 HH22 ARG 5 2HH2 ARG 5 -5.029 0.871 -9.962 40 H ALA 6 H ALA 6 1.848 -3.631 -12.325 41 HA ALA 6 HA ALA 6 -0.205 -2.819 -14.084 42 HB1 ALA 6 1HB ALA 6 1.662 -0.748 -13.226 43 HB2 ALA 6 2HB ALA 6 1.564 -0.927 -14.978 44 HB3 ALA 6 3HB ALA 6 0.104 -0.606 -14.041 45 H PHE 7 H PHE 7 0.126 -4.480 -15.431 46 HA PHE 7 HA PHE 7 2.785 -5.344 -16.147 47 HB2 PHE 7 2HB PHE 7 0.182 -6.298 -17.342 48 HB3 PHE 7 3HB PHE 7 1.723 -7.148 -17.296 49 HD1 PHE 7 HD1 PHE 7 2.566 -6.908 -14.546 50 HD2 PHE 7 HD2 PHE 7 -1.334 -7.536 -16.132 51 HE1 PHE 7 HE1 PHE 7 1.895 -8.011 -12.452 52 HE2 PHE 7 HE2 PHE 7 -2.011 -8.639 -14.040 53 HZ PHE 7 HZ PHE 7 -0.396 -8.877 -12.196 54 H VAL 8 H VAL 8 2.928 -2.919 -16.970 55 HA VAL 8 HA VAL 8 2.484 -3.030 -19.880 56 HB VAL 8 HB VAL 8 2.249 -0.559 -18.157 57 HG11 VAL 8 1HG1 VAL 8 1.184 0.005 -20.627 58 HG12 VAL 8 2HG1 VAL 8 2.780 0.495 -20.055 59 HG13 VAL 8 3HG1 VAL 8 2.599 -0.971 -21.020 60 HG21 VAL 8 1HG2 VAL 8 0.200 -2.325 -19.462 61 HG22 VAL 8 2HG2 VAL 8 0.288 -1.794 -17.782 62 HG23 VAL 8 3HG2 VAL 8 -0.144 -0.645 -19.048 63 H THR 9 H THR 9 4.141 -0.851 -17.597 64 HA THR 9 HA THR 9 6.478 -0.860 -19.353 65 HB THR 9 HB THR 9 5.590 1.321 -18.598 66 HG1 THR 9 HG1 THR 9 7.914 0.889 -18.986 67 HG21 THR 9 1HG2 THR 9 5.204 0.136 -16.185 68 HG22 THR 9 2HG2 THR 9 5.250 1.881 -16.438 69 HG23 THR 9 3HG2 THR 9 6.692 1.032 -15.885 70 H ILE 10 H ILE 10 5.862 -3.185 -17.724 71 HA ILE 10 HA ILE 10 8.179 -3.162 -15.903 72 HB ILE 10 HB ILE 10 5.980 -3.556 -14.797 73 HG12 ILE 10 2HG1 ILE 10 7.739 -6.010 -14.711 74 HG13 ILE 10 3HG1 ILE 10 8.193 -4.477 -13.976 75 HG21 ILE 10 1HG2 ILE 10 5.013 -4.801 -16.756 76 HG22 ILE 10 2HG2 ILE 10 5.971 -6.192 -16.250 77 HG23 ILE 10 3HG2 ILE 10 4.730 -5.539 -15.180 78 HD11 ILE 10 1HD1 ILE 10 6.214 -6.483 -13.115 79 HD12 ILE 10 2HD1 ILE 10 7.270 -5.440 -12.163 80 HD13 ILE 10 3HD1 ILE 10 5.788 -4.791 -12.863 Start of MODEL 7 1 H1 ARG 1 H ARG 1 -0.862 0.603 -2.343 2 HA ARG 1 HA ARG 1 0.213 1.555 -4.915 3 HB2 ARG 1 2HB ARG 1 1.638 0.075 -2.695 4 HB3 ARG 1 3HB ARG 1 2.366 0.599 -4.208 5 HG2 ARG 1 2HG ARG 1 2.128 2.892 -3.620 6 HG3 ARG 1 3HG ARG 1 1.132 2.488 -2.220 7 HD2 ARG 1 2HD ARG 1 3.220 2.902 -1.287 8 HD3 ARG 1 3HD ARG 1 3.181 1.145 -1.425 9 HE ARG 1 HE ARG 1 4.331 2.112 -3.755 10 HH11 ARG 1 1HH1 ARG 1 5.018 2.109 -0.342 11 HH12 ARG 1 2HH1 ARG 1 6.736 2.154 -0.555 12 HH21 ARG 1 1HH2 ARG 1 6.592 2.172 -4.049 13 HH22 ARG 1 2HH2 ARG 1 7.631 2.192 -2.664 14 H GLY 2 H GLY 2 0.652 0.098 -6.541 15 HA2 GLY 2 2HA GLY 2 -0.068 -2.715 -6.033 16 HA3 GLY 2 3HA GLY 2 -0.774 -1.850 -7.390 17 HA PRO 3 HA PRO 3 3.938 -2.267 -8.401 18 HB2 PRO 3 2HB PRO 3 5.409 -3.826 -6.734 19 HB3 PRO 3 3HB PRO 3 5.207 -2.087 -6.493 20 HG2 PRO 3 2HG PRO 3 3.778 -4.361 -5.171 21 HG3 PRO 3 3HG PRO 3 4.420 -2.873 -4.451 22 HD2 PRO 3 2HD PRO 3 1.795 -3.195 -5.032 23 HD3 PRO 3 3HD PRO 3 2.606 -1.618 -5.118 24 H GLY 4 H GLY 4 2.321 -5.016 -6.882 25 HA2 GLY 4 2HA GLY 4 3.558 -6.963 -8.600 26 HA3 GLY 4 3HA GLY 4 2.229 -7.247 -7.486 27 H ARG 5 H ARG 5 0.782 -4.921 -8.804 28 HA ARG 5 HA ARG 5 -0.092 -6.385 -11.209 29 HB2 ARG 5 2HB ARG 5 -2.340 -5.253 -10.746 30 HB3 ARG 5 3HB ARG 5 -1.874 -6.578 -9.688 31 HG2 ARG 5 2HG ARG 5 -1.604 -5.227 -7.878 32 HG3 ARG 5 3HG ARG 5 -1.151 -3.827 -8.852 33 HD2 ARG 5 2HD ARG 5 -3.935 -4.968 -8.813 34 HD3 ARG 5 3HD ARG 5 -3.400 -3.708 -7.702 35 HE ARG 5 HE ARG 5 -2.806 -2.890 -10.308 36 HH11 ARG 5 1HH1 ARG 5 -5.577 -3.512 -8.294 37 HH12 ARG 5 2HH1 ARG 5 -6.590 -2.368 -9.110 38 HH21 ARG 5 1HH2 ARG 5 -4.130 -1.381 -11.391 39 HH22 ARG 5 2HH2 ARG 5 -5.767 -1.157 -10.872 40 H ALA 6 H ALA 6 1.885 -4.722 -11.701 41 HA ALA 6 HA ALA 6 0.572 -2.402 -12.943 42 HB1 ALA 6 1HB ALA 6 3.207 -2.397 -11.480 43 HB2 ALA 6 2HB ALA 6 2.624 -1.072 -12.490 44 HB3 ALA 6 3HB ALA 6 1.736 -1.530 -11.036 45 H PHE 7 H PHE 7 0.609 -4.177 -14.662 46 HA PHE 7 HA PHE 7 3.161 -4.670 -15.916 47 HB2 PHE 7 2HB PHE 7 0.429 -5.272 -17.051 48 HB3 PHE 7 3HB PHE 7 1.960 -6.035 -17.467 49 HD1 PHE 7 HD1 PHE 7 3.162 -6.777 -15.006 50 HD2 PHE 7 HD2 PHE 7 -0.964 -6.789 -16.051 51 HE1 PHE 7 HE1 PHE 7 2.745 -8.527 -13.327 52 HE2 PHE 7 HE2 PHE 7 -1.388 -8.538 -14.373 53 HZ PHE 7 HZ PHE 7 0.468 -9.409 -13.008 54 H VAL 8 H VAL 8 3.392 -2.189 -16.009 55 HA VAL 8 HA VAL 8 2.458 -1.306 -18.660 56 HB VAL 8 HB VAL 8 2.782 0.481 -16.245 57 HG11 VAL 8 1HG1 VAL 8 1.839 1.026 -19.056 58 HG12 VAL 8 2HG1 VAL 8 1.684 2.162 -17.715 59 HG13 VAL 8 3HG1 VAL 8 3.282 1.666 -18.272 60 HG21 VAL 8 1HG2 VAL 8 0.462 -0.976 -17.359 61 HG22 VAL 8 2HG2 VAL 8 0.800 -0.480 -15.701 62 HG23 VAL 8 3HG2 VAL 8 0.187 0.695 -16.865 63 H THR 9 H THR 9 4.695 -0.134 -16.141 64 HA THR 9 HA THR 9 6.682 0.400 -18.218 65 HB THR 9 HB THR 9 6.176 2.205 -16.612 66 HG1 THR 9 HG1 THR 9 8.803 1.111 -16.406 67 HG21 THR 9 1HG2 THR 9 7.632 1.297 -14.348 68 HG22 THR 9 2HG2 THR 9 6.396 0.094 -14.716 69 HG23 THR 9 3HG2 THR 9 5.938 1.774 -14.441 70 H ILE 10 H ILE 10 6.110 -2.328 -17.387 71 HA ILE 10 HA ILE 10 8.703 -3.040 -16.180 72 HB ILE 10 HB ILE 10 6.725 -3.697 -14.823 73 HG12 ILE 10 2HG1 ILE 10 8.142 -6.115 -15.946 74 HG13 ILE 10 3HG1 ILE 10 8.925 -4.961 -14.873 75 HG21 ILE 10 1HG2 ILE 10 6.119 -5.614 -17.066 76 HG22 ILE 10 2HG2 ILE 10 5.212 -5.390 -15.571 77 HG23 ILE 10 3HG2 ILE 10 5.238 -4.112 -16.786 78 HD11 ILE 10 1HD1 ILE 10 8.256 -6.469 -13.332 79 HD12 ILE 10 2HD1 ILE 10 6.783 -5.499 -13.394 80 HD13 ILE 10 3HD1 ILE 10 6.882 -7.012 -14.294 Start of MODEL 8 1 H1 ARG 1 H ARG 1 1.586 1.585 -5.958 2 HA ARG 1 HA ARG 1 3.727 1.998 -4.082 3 HB2 ARG 1 2HB ARG 1 2.463 1.207 -2.111 4 HB3 ARG 1 3HB ARG 1 1.882 2.756 -2.706 5 HG2 ARG 1 2HG ARG 1 -0.110 1.893 -3.425 6 HG3 ARG 1 3HG ARG 1 0.552 0.274 -3.661 7 HD2 ARG 1 2HD ARG 1 0.100 1.570 -0.976 8 HD3 ARG 1 3HD ARG 1 -1.017 0.442 -1.744 9 HE ARG 1 HE ARG 1 1.456 -0.808 -1.652 10 HH11 ARG 1 1HH1 ARG 1 -0.897 0.434 0.594 11 HH12 ARG 1 2HH1 ARG 1 -0.499 -0.701 1.841 12 HH21 ARG 1 1HH2 ARG 1 1.989 -2.308 -0.018 13 HH22 ARG 1 2HH2 ARG 1 1.143 -2.260 1.492 14 H GLY 2 H GLY 2 4.462 -0.020 -3.104 15 HA2 GLY 2 2HA GLY 2 4.614 -2.358 -2.983 16 HA3 GLY 2 3HA GLY 2 3.345 -2.481 -4.193 17 HA PRO 3 HA PRO 3 7.454 -3.485 -6.151 18 HB2 PRO 3 2HB PRO 3 6.650 -5.841 -7.235 19 HB3 PRO 3 3HB PRO 3 7.305 -5.710 -5.599 20 HG2 PRO 3 2HG PRO 3 4.452 -5.875 -6.489 21 HG3 PRO 3 3HG PRO 3 5.251 -6.696 -5.135 22 HD2 PRO 3 2HD PRO 3 3.717 -4.490 -4.800 23 HD3 PRO 3 3HD PRO 3 5.119 -4.844 -3.770 24 H GLY 4 H GLY 4 4.119 -3.689 -7.292 25 HA2 GLY 4 2HA GLY 4 4.097 -1.977 -9.324 26 HA3 GLY 4 3HA GLY 4 4.953 -3.323 -10.062 27 H ARG 5 H ARG 5 2.025 -1.932 -9.852 28 HA ARG 5 HA ARG 5 0.610 -4.497 -10.179 29 HB2 ARG 5 2HB ARG 5 -1.450 -3.221 -9.510 30 HB3 ARG 5 3HB ARG 5 -0.258 -3.422 -8.233 31 HG2 ARG 5 2HG ARG 5 0.258 -1.204 -8.169 32 HG3 ARG 5 3HG ARG 5 -0.138 -0.950 -9.870 33 HD2 ARG 5 2HD ARG 5 -2.229 -1.569 -7.802 34 HD3 ARG 5 3HD ARG 5 -1.706 0.078 -8.150 35 HE ARG 5 HE ARG 5 -2.444 -1.280 -10.529 36 HH11 ARG 5 1HH1 ARG 5 -3.769 0.277 -7.712 37 HH12 ARG 5 2HH1 ARG 5 -5.254 0.712 -8.490 38 HH21 ARG 5 1HH2 ARG 5 -4.396 -0.714 -11.565 39 HH22 ARG 5 2HH2 ARG 5 -5.610 0.147 -10.681 40 H ALA 6 H ALA 6 1.763 -3.826 -12.400 41 HA ALA 6 HA ALA 6 -0.341 -3.327 -14.216 42 HB1 ALA 6 1HB ALA 6 1.181 -1.004 -13.323 43 HB2 ALA 6 2HB ALA 6 1.157 -1.200 -15.076 44 HB3 ALA 6 3HB ALA 6 -0.358 -1.092 -14.180 45 H PHE 7 H PHE 7 0.270 -4.938 -15.529 46 HA PHE 7 HA PHE 7 3.038 -5.419 -16.167 47 HB2 PHE 7 2HB PHE 7 0.630 -6.704 -17.456 48 HB3 PHE 7 3HB PHE 7 2.269 -7.341 -17.358 49 HD1 PHE 7 HD1 PHE 7 -0.785 -8.062 -16.270 50 HD2 PHE 7 HD2 PHE 7 3.013 -7.089 -14.615 51 HE1 PHE 7 HE1 PHE 7 -1.381 -9.261 -14.205 52 HE2 PHE 7 HE2 PHE 7 2.424 -8.287 -12.548 53 HZ PHE 7 HZ PHE 7 0.224 -9.375 -12.341 54 H VAL 8 H VAL 8 2.868 -2.985 -16.978 55 HA VAL 8 HA VAL 8 2.542 -3.134 -19.903 56 HB VAL 8 HB VAL 8 1.937 -0.733 -18.172 57 HG11 VAL 8 1HG1 VAL 8 2.694 0.191 -20.149 58 HG12 VAL 8 2HG1 VAL 8 2.088 -1.146 -21.128 59 HG13 VAL 8 3HG1 VAL 8 0.965 0.038 -20.459 60 HG21 VAL 8 1HG2 VAL 8 0.097 -2.543 -19.733 61 HG22 VAL 8 2HG2 VAL 8 0.213 -2.437 -17.977 62 HG23 VAL 8 3HG2 VAL 8 -0.385 -1.062 -18.906 63 H THR 9 H THR 9 3.841 -0.781 -17.561 64 HA THR 9 HA THR 9 6.210 -0.480 -19.246 65 HB THR 9 HB THR 9 5.001 1.556 -18.484 66 HG1 THR 9 HG1 THR 9 6.928 2.384 -18.703 67 HG21 THR 9 1HG2 THR 9 4.653 2.090 -16.307 68 HG22 THR 9 2HG2 THR 9 6.160 1.344 -15.773 69 HG23 THR 9 3HG2 THR 9 4.746 0.342 -16.096 70 H ILE 10 H ILE 10 5.805 -2.864 -17.595 71 HA ILE 10 HA ILE 10 8.182 -2.605 -15.871 72 HB ILE 10 HB ILE 10 6.093 -2.894 -14.551 73 HG12 ILE 10 2HG1 ILE 10 7.830 -5.353 -14.357 74 HG13 ILE 10 3HG1 ILE 10 8.395 -3.759 -13.870 75 HG21 ILE 10 1HG2 ILE 10 5.979 -5.641 -15.781 76 HG22 ILE 10 2HG2 ILE 10 4.855 -4.939 -14.619 77 HG23 ILE 10 3HG2 ILE 10 4.940 -4.300 -16.260 78 HD11 ILE 10 1HD1 ILE 10 7.608 -4.308 -11.862 79 HD12 ILE 10 2HD1 ILE 10 6.019 -3.959 -12.543 80 HD13 ILE 10 3HD1 ILE 10 6.618 -5.618 -12.506 Start of MODEL 9 1 H1 ARG 1 H ARG 1 5.332 -0.840 -5.386 2 HA ARG 1 HA ARG 1 2.832 0.329 -4.525 3 HB2 ARG 1 2HB ARG 1 4.067 -0.185 -7.226 4 HB3 ARG 1 3HB ARG 1 2.425 0.421 -7.048 5 HG2 ARG 1 2HG ARG 1 4.798 1.794 -5.822 6 HG3 ARG 1 3HG ARG 1 4.227 2.141 -7.455 7 HD2 ARG 1 2HD ARG 1 2.233 3.051 -6.701 8 HD3 ARG 1 3HD ARG 1 2.324 2.218 -5.150 9 HE ARG 1 HE ARG 1 4.475 3.972 -5.271 10 HH11 ARG 1 1HH1 ARG 1 0.998 4.123 -5.235 11 HH12 ARG 1 2HH1 ARG 1 0.943 5.673 -4.461 12 HH21 ARG 1 1HH2 ARG 1 4.417 6.011 -4.252 13 HH22 ARG 1 2HH2 ARG 1 2.889 6.746 -3.903 14 H GLY 2 H GLY 2 2.480 -1.914 -3.420 15 HA2 GLY 2 2HA GLY 2 0.692 -3.454 -3.388 16 HA3 GLY 2 3HA GLY 2 0.600 -3.349 -5.140 17 HA PRO 3 HA PRO 3 2.696 -7.334 -3.887 18 HB2 PRO 3 2HB PRO 3 1.027 -8.962 -5.278 19 HB3 PRO 3 3HB PRO 3 0.709 -8.456 -3.615 20 HG2 PRO 3 2HG PRO 3 -0.406 -7.368 -6.171 21 HG3 PRO 3 3HG PRO 3 -1.239 -7.712 -4.644 22 HD2 PRO 3 2HD PRO 3 -0.485 -5.213 -5.361 23 HD3 PRO 3 3HD PRO 3 -0.530 -5.748 -3.669 24 H GLY 4 H GLY 4 1.403 -6.157 -6.960 25 HA2 GLY 4 2HA GLY 4 3.644 -6.030 -8.438 26 HA3 GLY 4 3HA GLY 4 3.275 -7.747 -8.504 27 H ARG 5 H ARG 5 1.086 -4.953 -8.531 28 HA ARG 5 HA ARG 5 0.053 -5.922 -11.113 29 HB2 ARG 5 2HB ARG 5 -2.019 -4.585 -10.431 30 HB3 ARG 5 3HB ARG 5 -1.703 -6.079 -9.558 31 HG2 ARG 5 2HG ARG 5 -1.221 -5.006 -7.611 32 HG3 ARG 5 3HG ARG 5 -0.614 -3.564 -8.427 33 HD2 ARG 5 2HD ARG 5 -3.520 -4.344 -8.420 34 HD3 ARG 5 3HD ARG 5 -2.803 -3.311 -7.185 35 HE ARG 5 HE ARG 5 -2.167 -2.253 -9.693 36 HH11 ARG 5 1HH1 ARG 5 -4.947 -2.770 -7.663 37 HH12 ARG 5 2HH1 ARG 5 -5.823 -1.415 -8.294 38 HH21 ARG 5 1HH2 ARG 5 -3.310 -0.466 -10.532 39 HH22 ARG 5 2HH2 ARG 5 -4.891 -0.105 -9.927 40 H ALA 6 H ALA 6 2.172 -4.513 -11.581 41 HA ALA 6 HA ALA 6 1.157 -1.894 -12.440 42 HB1 ALA 6 1HB ALA 6 3.408 -0.925 -11.947 43 HB2 ALA 6 2HB ALA 6 2.480 -1.388 -10.520 44 HB3 ALA 6 3HB ALA 6 3.797 -2.415 -11.086 45 H PHE 7 H PHE 7 1.023 -3.824 -14.204 46 HA PHE 7 HA PHE 7 3.460 -4.195 -15.686 47 HB2 PHE 7 2HB PHE 7 0.651 -4.791 -16.621 48 HB3 PHE 7 3HB PHE 7 2.151 -5.507 -17.201 49 HD1 PHE 7 HD1 PHE 7 3.583 -6.411 -14.972 50 HD2 PHE 7 HD2 PHE 7 -0.640 -6.303 -15.495 51 HE1 PHE 7 HE1 PHE 7 3.338 -8.243 -13.347 52 HE2 PHE 7 HE2 PHE 7 -0.891 -8.134 -13.871 53 HZ PHE 7 HZ PHE 7 1.099 -9.106 -12.794 54 H VAL 8 H VAL 8 3.643 -1.703 -15.685 55 HA VAL 8 HA VAL 8 2.557 -0.749 -18.248 56 HB VAL 8 HB VAL 8 2.862 0.958 -15.775 57 HG11 VAL 8 1HG1 VAL 8 1.354 2.433 -17.383 58 HG12 VAL 8 2HG1 VAL 8 3.117 2.487 -17.445 59 HG13 VAL 8 3HG1 VAL 8 2.221 1.520 -18.618 60 HG21 VAL 8 1HG2 VAL 8 0.995 -0.650 -15.612 61 HG22 VAL 8 2HG2 VAL 8 0.445 1.025 -15.684 62 HG23 VAL 8 3HG2 VAL 8 0.335 -0.002 -17.114 63 H THR 9 H THR 9 4.871 0.246 -15.718 64 HA THR 9 HA THR 9 6.727 1.106 -17.809 65 HB THR 9 HB THR 9 6.228 2.660 -15.931 66 HG1 THR 9 HG1 THR 9 8.564 2.974 -15.426 67 HG21 THR 9 1HG2 THR 9 7.783 0.700 -14.241 68 HG22 THR 9 2HG2 THR 9 6.031 0.896 -14.181 69 HG23 THR 9 3HG2 THR 9 7.085 2.234 -13.722 70 H ILE 10 H ILE 10 6.260 -1.725 -17.262 71 HA ILE 10 HA ILE 10 8.936 -2.492 -16.292 72 HB ILE 10 HB ILE 10 7.091 -3.386 -14.915 73 HG12 ILE 10 2HG1 ILE 10 8.186 -5.757 -16.367 74 HG13 ILE 10 3HG1 ILE 10 9.319 -4.644 -15.606 75 HG21 ILE 10 1HG2 ILE 10 6.294 -4.945 -17.367 76 HG22 ILE 10 2HG2 ILE 10 5.522 -4.975 -15.783 77 HG23 ILE 10 3HG2 ILE 10 5.442 -3.520 -16.775 78 HD11 ILE 10 1HD1 ILE 10 8.802 -6.490 -14.133 79 HD12 ILE 10 2HD1 ILE 10 8.187 -4.979 -13.463 80 HD13 ILE 10 3HD1 ILE 10 7.082 -6.116 -14.234 Start of MODEL 10 1 H1 ARG 1 H ARG 1 2.962 2.431 -6.915 2 HA ARG 1 HA ARG 1 4.979 0.840 -5.511 3 HB2 ARG 1 2HB ARG 1 2.685 2.555 -4.611 4 HB3 ARG 1 3HB ARG 1 3.389 1.366 -3.525 5 HG2 ARG 1 2HG ARG 1 5.344 2.518 -3.302 6 HG3 ARG 1 3HG ARG 1 5.215 3.264 -4.896 7 HD2 ARG 1 2HD ARG 1 4.851 5.010 -3.364 8 HD3 ARG 1 3HD ARG 1 3.250 4.571 -3.958 9 HE ARG 1 HE ARG 1 3.874 3.143 -1.590 10 HH11 ARG 1 1HH1 ARG 1 2.923 6.287 -2.743 11 HH12 ARG 1 2HH1 ARG 1 2.132 6.733 -1.267 12 HH21 ARG 1 1HH2 ARG 1 2.836 3.718 0.358 13 HH22 ARG 1 2HH2 ARG 1 2.084 5.271 0.496 14 H GLY 2 H GLY 2 4.659 -1.229 -4.922 15 HA2 GLY 2 2HA GLY 2 2.656 -2.694 -4.105 16 HA3 GLY 2 3HA GLY 2 2.145 -2.479 -5.773 17 HA PRO 3 HA PRO 3 4.943 -6.236 -5.310 18 HB2 PRO 3 2HB PRO 3 3.113 -8.080 -6.101 19 HB3 PRO 3 3HB PRO 3 3.317 -7.590 -4.415 20 HG2 PRO 3 2HG PRO 3 1.281 -6.690 -6.416 21 HG3 PRO 3 3HG PRO 3 1.061 -7.108 -4.707 22 HD2 PRO 3 2HD PRO 3 1.218 -4.547 -5.571 23 HD3 PRO 3 3HD PRO 3 1.813 -5.055 -3.978 24 H GLY 4 H GLY 4 2.453 -5.497 -7.743 25 HA2 GLY 4 2HA GLY 4 3.875 -4.937 -9.915 26 HA3 GLY 4 3HA GLY 4 4.095 -6.679 -9.843 27 H ARG 5 H ARG 5 1.355 -4.432 -9.419 28 HA ARG 5 HA ARG 5 -0.247 -6.225 -11.111 29 HB2 ARG 5 2HB ARG 5 -2.209 -5.066 -10.099 30 HB3 ARG 5 3HB ARG 5 -1.213 -5.922 -8.930 31 HG2 ARG 5 2HG ARG 5 -0.498 -4.007 -7.924 32 HG3 ARG 5 3HG ARG 5 -0.652 -3.046 -9.396 33 HD2 ARG 5 2HD ARG 5 -2.954 -4.088 -7.750 34 HD3 ARG 5 3HD ARG 5 -2.320 -2.445 -7.679 35 HE ARG 5 HE ARG 5 -2.928 -2.875 -10.320 36 HH11 ARG 5 1HH1 ARG 5 -4.662 -2.958 -7.303 37 HH12 ARG 5 2HH1 ARG 5 -6.175 -2.494 -8.009 38 HH21 ARG 5 1HH2 ARG 5 -4.914 -2.263 -11.262 39 HH22 ARG 5 2HH2 ARG 5 -6.317 -2.099 -10.261 40 H ALA 6 H ALA 6 1.348 -4.832 -12.658 41 HA ALA 6 HA ALA 6 -0.387 -3.277 -14.256 42 HB1 ALA 6 1HB ALA 6 -0.200 -1.307 -13.218 43 HB2 ALA 6 2HB ALA 6 1.182 -1.841 -12.260 44 HB3 ALA 6 3HB ALA 6 1.424 -1.250 -13.904 45 H PHE 7 H PHE 7 0.271 -4.241 -16.082 46 HA PHE 7 HA PHE 7 3.041 -4.831 -16.590 47 HB2 PHE 7 2HB PHE 7 0.766 -4.990 -18.567 48 HB3 PHE 7 3HB PHE 7 2.289 -5.872 -18.602 49 HD1 PHE 7 HD1 PHE 7 -0.977 -6.444 -18.265 50 HD2 PHE 7 HD2 PHE 7 2.593 -7.010 -16.018 51 HE1 PHE 7 HE1 PHE 7 -2.036 -8.309 -17.059 52 HE2 PHE 7 HE2 PHE 7 1.540 -8.876 -14.808 53 HZ PHE 7 HZ PHE 7 -0.777 -9.528 -15.329 54 H VAL 8 H VAL 8 3.284 -2.309 -16.205 55 HA VAL 8 HA VAL 8 3.499 -1.116 -18.886 56 HB VAL 8 HB VAL 8 2.662 0.362 -16.387 57 HG11 VAL 8 1HG1 VAL 8 2.381 2.285 -17.906 58 HG12 VAL 8 2HG1 VAL 8 4.058 1.747 -17.797 59 HG13 VAL 8 3HG1 VAL 8 3.088 1.332 -19.211 60 HG21 VAL 8 1HG2 VAL 8 0.534 0.697 -17.542 61 HG22 VAL 8 2HG2 VAL 8 1.105 -0.285 -18.891 62 HG23 VAL 8 3HG2 VAL 8 0.867 -1.019 -17.305 63 H THR 9 H THR 9 4.427 -0.336 -15.529 64 HA THR 9 HA THR 9 7.077 0.444 -16.487 65 HB THR 9 HB THR 9 5.852 1.993 -14.985 66 HG1 THR 9 HG1 THR 9 7.663 2.441 -13.751 67 HG21 THR 9 1HG2 THR 9 6.357 -0.004 -12.789 68 HG22 THR 9 2HG2 THR 9 4.812 0.105 -13.634 69 HG23 THR 9 3HG2 THR 9 5.416 1.486 -12.717 70 H ILE 10 H ILE 10 6.229 -2.374 -16.294 71 HA ILE 10 HA ILE 10 8.190 -3.308 -14.301 72 HB ILE 10 HB ILE 10 5.873 -4.045 -13.833 73 HG12 ILE 10 2HG1 ILE 10 7.618 -6.354 -14.702 74 HG13 ILE 10 3HG1 ILE 10 7.911 -5.409 -13.246 75 HG21 ILE 10 1HG2 ILE 10 5.199 -4.133 -16.247 76 HG22 ILE 10 2HG2 ILE 10 6.080 -5.655 -16.368 77 HG23 ILE 10 3HG2 ILE 10 4.696 -5.521 -15.283 78 HD11 ILE 10 1HD1 ILE 10 5.419 -6.054 -12.727 79 HD12 ILE 10 2HD1 ILE 10 5.774 -7.382 -13.833 80 HD13 ILE 10 3HD1 ILE 10 6.747 -7.161 -12.379 Start of MODEL 11 1 H1 ARG 1 H ARG 1 7.686 -0.718 -5.365 2 HA ARG 1 HA ARG 1 5.900 -1.110 -3.195 3 HB2 ARG 1 2HB ARG 1 7.270 0.991 -3.841 4 HB3 ARG 1 3HB ARG 1 5.924 1.355 -4.913 5 HG2 ARG 1 2HG ARG 1 4.401 1.439 -3.052 6 HG3 ARG 1 3HG ARG 1 5.674 0.921 -1.945 7 HD2 ARG 1 2HD ARG 1 5.515 3.254 -1.673 8 HD3 ARG 1 3HD ARG 1 6.946 2.992 -2.670 9 HE ARG 1 HE ARG 1 4.583 3.451 -4.219 10 HH11 ARG 1 1HH1 ARG 1 7.148 4.994 -2.441 11 HH12 ARG 1 2HH1 ARG 1 7.048 6.478 -3.330 12 HH21 ARG 1 1HH2 ARG 1 4.441 5.400 -5.395 13 HH22 ARG 1 2HH2 ARG 1 5.507 6.708 -5.009 14 H GLY 2 H GLY 2 4.427 -2.684 -4.064 15 HA2 GLY 2 2HA GLY 2 1.963 -1.692 -4.829 16 HA3 GLY 2 3HA GLY 2 2.784 -2.121 -6.322 17 HA PRO 3 HA PRO 3 0.680 -5.837 -4.229 18 HB2 PRO 3 2HB PRO 3 -1.422 -6.093 -5.927 19 HB3 PRO 3 3HB PRO 3 -1.491 -5.119 -4.454 20 HG2 PRO 3 2HG PRO 3 -1.048 -4.246 -7.282 21 HG3 PRO 3 3HG PRO 3 -2.065 -3.510 -6.030 22 HD2 PRO 3 2HD PRO 3 0.387 -2.552 -6.663 23 HD3 PRO 3 3HD PRO 3 -0.280 -2.457 -5.021 24 H GLY 4 H GLY 4 1.158 -4.905 -7.605 25 HA2 GLY 4 2HA GLY 4 2.899 -6.441 -8.662 26 HA3 GLY 4 3HA GLY 4 1.767 -7.719 -8.247 27 H ARG 5 H ARG 5 -0.564 -6.018 -8.869 28 HA ARG 5 HA ARG 5 -0.711 -6.642 -11.670 29 HB2 ARG 5 2HB ARG 5 -2.574 -6.715 -9.812 30 HB3 ARG 5 3HB ARG 5 -2.799 -5.030 -10.262 31 HG2 ARG 5 2HG ARG 5 -2.765 -6.255 -12.696 32 HG3 ARG 5 3HG ARG 5 -3.542 -7.472 -11.681 33 HD2 ARG 5 2HD ARG 5 -5.183 -5.966 -12.688 34 HD3 ARG 5 3HD ARG 5 -5.171 -5.825 -10.930 35 HE ARG 5 HE ARG 5 -3.447 -3.889 -11.968 36 HH11 ARG 5 1HH1 ARG 5 -6.843 -4.655 -11.936 37 HH12 ARG 5 2HH1 ARG 5 -7.350 -3.005 -12.077 38 HH21 ARG 5 1HH2 ARG 5 -4.102 -1.712 -12.155 39 HH22 ARG 5 2HH2 ARG 5 -5.790 -1.332 -12.203 40 H ALA 6 H ALA 6 1.241 -5.028 -11.856 41 HA ALA 6 HA ALA 6 0.121 -2.569 -12.965 42 HB1 ALA 6 1HB ALA 6 1.923 -1.212 -11.937 43 HB2 ALA 6 2HB ALA 6 0.791 -1.879 -10.760 44 HB3 ALA 6 3HB ALA 6 2.380 -2.615 -10.969 45 H PHE 7 H PHE 7 0.690 -4.311 -14.714 46 HA PHE 7 HA PHE 7 3.483 -4.417 -15.435 47 HB2 PHE 7 2HB PHE 7 1.133 -5.286 -17.119 48 HB3 PHE 7 3HB PHE 7 2.803 -5.828 -17.241 49 HD1 PHE 7 HD1 PHE 7 -0.197 -7.047 -16.499 50 HD2 PHE 7 HD2 PHE 7 3.569 -6.530 -14.584 51 HE1 PHE 7 HE1 PHE 7 -0.706 -8.929 -14.998 52 HE2 PHE 7 HE2 PHE 7 3.067 -8.411 -13.081 53 HZ PHE 7 HZ PHE 7 0.928 -9.614 -13.287 54 H VAL 8 H VAL 8 3.321 -1.902 -15.377 55 HA VAL 8 HA VAL 8 2.874 -1.004 -18.147 56 HB VAL 8 HB VAL 8 2.389 0.659 -15.671 57 HG11 VAL 8 1HG1 VAL 8 1.167 1.898 -17.789 58 HG12 VAL 8 2HG1 VAL 8 2.730 2.344 -17.104 59 HG13 VAL 8 3HG1 VAL 8 2.653 1.282 -18.510 60 HG21 VAL 8 1HG2 VAL 8 -0.013 0.572 -16.717 61 HG22 VAL 8 2HG2 VAL 8 0.572 -0.938 -17.416 62 HG23 VAL 8 3HG2 VAL 8 0.553 -0.727 -15.666 63 H THR 9 H THR 9 4.391 0.110 -15.112 64 HA THR 9 HA THR 9 6.626 1.176 -16.678 65 HB THR 9 HB THR 9 5.560 2.692 -15.047 66 HG1 THR 9 HG1 THR 9 7.530 3.453 -15.036 67 HG21 THR 9 1HG2 THR 9 6.579 0.721 -12.996 68 HG22 THR 9 2HG2 THR 9 4.887 1.051 -13.372 69 HG23 THR 9 3HG2 THR 9 5.890 2.305 -12.641 70 H ILE 10 H ILE 10 6.293 -1.689 -16.221 71 HA ILE 10 HA ILE 10 8.714 -2.205 -14.618 72 HB ILE 10 HB ILE 10 6.656 -3.221 -13.672 73 HG12 ILE 10 2HG1 ILE 10 8.294 -5.512 -14.663 74 HG13 ILE 10 3HG1 ILE 10 9.098 -4.255 -13.729 75 HG21 ILE 10 1HG2 ILE 10 5.551 -3.594 -15.877 76 HG22 ILE 10 2HG2 ILE 10 6.650 -4.948 -16.140 77 HG23 ILE 10 3HG2 ILE 10 5.505 -4.989 -14.799 78 HD11 ILE 10 1HD1 ILE 10 8.212 -4.965 -11.813 79 HD12 ILE 10 2HD1 ILE 10 6.615 -5.195 -12.526 80 HD13 ILE 10 3HD1 ILE 10 7.847 -6.445 -12.699 Start of MODEL 12 1 H1 ARG 1 H ARG 1 3.166 -2.136 0.723 2 HA ARG 1 HA ARG 1 0.700 -0.748 0.340 3 HB2 ARG 1 2HB ARG 1 1.895 1.222 1.027 4 HB3 ARG 1 3HB ARG 1 2.413 -0.119 2.040 5 HG2 ARG 1 2HG ARG 1 4.441 -0.354 0.699 6 HG3 ARG 1 3HG ARG 1 3.922 0.994 -0.316 7 HD2 ARG 1 2HD ARG 1 5.379 2.005 1.179 8 HD3 ARG 1 3HD ARG 1 3.800 2.313 1.900 9 HE ARG 1 HE ARG 1 5.051 -0.083 2.867 10 HH11 ARG 1 1HH1 ARG 1 4.811 3.368 3.251 11 HH12 ARG 1 2HH1 ARG 1 5.307 3.349 4.911 12 HH21 ARG 1 1HH2 ARG 1 5.705 -0.122 5.051 13 HH22 ARG 1 2HH2 ARG 1 5.817 1.363 5.934 14 H GLY 2 H GLY 2 1.812 -2.096 -2.024 15 HA2 GLY 2 2HA GLY 2 1.065 -0.918 -4.167 16 HA3 GLY 2 3HA GLY 2 2.336 0.226 -3.764 17 HA PRO 3 HA PRO 3 4.497 -3.970 -4.880 18 HB2 PRO 3 2HB PRO 3 2.930 -5.815 -6.110 19 HB3 PRO 3 3HB PRO 3 3.146 -5.753 -4.356 20 HG2 PRO 3 2HG PRO 3 0.893 -4.704 -6.025 21 HG3 PRO 3 3HG PRO 3 0.831 -5.582 -4.486 22 HD2 PRO 3 2HD PRO 3 0.550 -2.893 -4.642 23 HD3 PRO 3 3HD PRO 3 1.299 -3.696 -3.247 24 H GLY 4 H GLY 4 1.921 -2.682 -6.902 25 HA2 GLY 4 2HA GLY 4 2.414 -1.519 -8.932 26 HA3 GLY 4 3HA GLY 4 3.840 -2.528 -9.123 27 H ARG 5 H ARG 5 0.681 -2.024 -10.105 28 HA ARG 5 HA ARG 5 0.552 -4.726 -11.276 29 HB2 ARG 5 2HB ARG 5 -1.966 -4.309 -11.333 30 HB3 ARG 5 3HB ARG 5 -1.248 -4.639 -9.762 31 HG2 ARG 5 2HG ARG 5 -1.655 -2.552 -8.980 32 HG3 ARG 5 3HG ARG 5 -1.470 -1.802 -10.566 33 HD2 ARG 5 2HD ARG 5 -3.813 -3.543 -9.835 34 HD3 ARG 5 3HD ARG 5 -3.804 -1.796 -9.597 35 HE ARG 5 HE ARG 5 -3.096 -2.323 -12.249 36 HH11 ARG 5 1HH1 ARG 5 -5.846 -2.619 -10.134 37 HH12 ARG 5 2HH1 ARG 5 -7.008 -2.447 -11.408 38 HH21 ARG 5 1HH2 ARG 5 -4.617 -2.095 -13.934 39 HH22 ARG 5 2HH2 ARG 5 -6.308 -2.150 -13.569 40 H ALA 6 H ALA 6 1.980 -3.093 -12.727 41 HA ALA 6 HA ALA 6 0.179 -2.292 -14.910 42 HB1 ALA 6 1HB ALA 6 1.671 -0.365 -15.377 43 HB2 ALA 6 2HB ALA 6 0.824 -0.243 -13.835 44 HB3 ALA 6 3HB ALA 6 2.525 -0.709 -13.873 45 H PHE 7 H PHE 7 1.072 -4.678 -15.199 46 HA PHE 7 HA PHE 7 3.719 -4.810 -16.339 47 HB2 PHE 7 2HB PHE 7 1.578 -6.934 -16.471 48 HB3 PHE 7 3HB PHE 7 3.320 -7.149 -16.606 49 HD1 PHE 7 HD1 PHE 7 0.831 -8.008 -14.588 50 HD2 PHE 7 HD2 PHE 7 4.424 -5.736 -14.381 51 HE1 PHE 7 HE1 PHE 7 0.959 -8.437 -12.168 52 HE2 PHE 7 HE2 PHE 7 4.558 -6.162 -11.962 53 HZ PHE 7 HZ PHE 7 2.825 -7.514 -10.852 54 H VAL 8 H VAL 8 2.870 -2.972 -17.847 55 HA VAL 8 HA VAL 8 1.889 -4.238 -20.323 56 HB VAL 8 HB VAL 8 1.460 -1.357 -19.527 57 HG11 VAL 8 1HG1 VAL 8 1.567 -1.865 -21.962 58 HG12 VAL 8 2HG1 VAL 8 0.198 -2.958 -21.748 59 HG13 VAL 8 3HG1 VAL 8 0.008 -1.233 -21.432 60 HG21 VAL 8 1HG2 VAL 8 0.177 -2.756 -18.044 61 HG22 VAL 8 2HG2 VAL 8 -0.912 -2.018 -19.219 62 HG23 VAL 8 3HG2 VAL 8 -0.430 -3.705 -19.401 63 H THR 9 H THR 9 3.501 -1.210 -19.337 64 HA THR 9 HA THR 9 5.225 -1.420 -21.694 65 HB THR 9 HB THR 9 4.043 0.723 -21.296 66 HG1 THR 9 HG1 THR 9 6.884 0.849 -21.062 67 HG21 THR 9 1HG2 THR 9 4.923 0.332 -18.645 68 HG22 THR 9 2HG2 THR 9 3.994 1.687 -19.288 69 HG23 THR 9 3HG2 THR 9 5.755 1.764 -19.247 70 H ILE 10 H ILE 10 5.627 -3.142 -19.385 71 HA ILE 10 HA ILE 10 8.226 -2.145 -18.420 72 HB ILE 10 HB ILE 10 6.527 -2.624 -16.661 73 HG12 ILE 10 2HG1 ILE 10 8.674 -4.667 -16.309 74 HG13 ILE 10 3HG1 ILE 10 9.154 -2.991 -16.552 75 HG21 ILE 10 1HG2 ILE 10 5.830 -4.855 -16.186 76 HG22 ILE 10 2HG2 ILE 10 5.491 -4.542 -17.887 77 HG23 ILE 10 3HG2 ILE 10 6.891 -5.512 -17.431 78 HD11 ILE 10 1HD1 ILE 10 7.060 -3.226 -14.576 79 HD12 ILE 10 2HD1 ILE 10 8.476 -4.191 -14.159 80 HD13 ILE 10 3HD1 ILE 10 8.645 -2.462 -14.462 Start of MODEL 13 1 H1 ARG 1 H ARG 1 4.035 0.713 -0.025 2 HA ARG 1 HA ARG 1 3.959 1.113 -2.896 3 HB2 ARG 1 2HB ARG 1 6.106 0.919 -1.635 4 HB3 ARG 1 3HB ARG 1 5.701 -0.755 -1.282 5 HG2 ARG 1 2HG ARG 1 5.496 -0.954 -3.875 6 HG3 ARG 1 3HG ARG 1 6.501 0.497 -3.863 7 HD2 ARG 1 2HD ARG 1 7.546 -1.430 -2.015 8 HD3 ARG 1 3HD ARG 1 7.323 -2.179 -3.595 9 HE ARG 1 HE ARG 1 9.011 -0.862 -4.429 10 HH11 ARG 1 1HH1 ARG 1 8.054 0.311 -1.294 11 HH12 ARG 1 2HH1 ARG 1 9.379 1.419 -1.160 12 HH21 ARG 1 1HH2 ARG 1 10.760 0.592 -4.264 13 HH22 ARG 1 2HH2 ARG 1 10.918 1.578 -2.850 14 H GLY 2 H GLY 2 1.903 0.226 -3.386 15 HA2 GLY 2 2HA GLY 2 1.091 -2.380 -2.669 16 HA3 GLY 2 3HA GLY 2 0.446 -1.437 -4.004 17 HA PRO 3 HA PRO 3 2.883 -5.153 -5.557 18 HB2 PRO 3 2HB PRO 3 0.808 -6.378 -6.808 19 HB3 PRO 3 3HB PRO 3 1.223 -6.680 -5.117 20 HG2 PRO 3 2HG PRO 3 -0.897 -4.902 -6.259 21 HG3 PRO 3 3HG PRO 3 -0.991 -6.010 -4.878 22 HD2 PRO 3 2HD PRO 3 -0.661 -3.339 -4.582 23 HD3 PRO 3 3HD PRO 3 0.032 -4.518 -3.450 24 H GLY 4 H GLY 4 0.623 -2.856 -6.885 25 HA2 GLY 4 2HA GLY 4 0.722 -1.652 -8.847 26 HA3 GLY 4 3HA GLY 4 2.277 -2.405 -9.170 27 H ARG 5 H ARG 5 -1.176 -2.630 -9.608 28 HA ARG 5 HA ARG 5 -1.042 -5.091 -11.104 29 HB2 ARG 5 2HB ARG 5 -3.026 -4.072 -9.701 30 HB3 ARG 5 3HB ARG 5 -3.399 -3.255 -11.213 31 HG2 ARG 5 2HG ARG 5 -3.157 -5.703 -12.179 32 HG3 ARG 5 3HG ARG 5 -3.566 -6.132 -10.517 33 HD2 ARG 5 2HD ARG 5 -5.633 -6.024 -11.592 34 HD3 ARG 5 3HD ARG 5 -5.501 -4.470 -10.772 35 HE ARG 5 HE ARG 5 -4.501 -3.967 -13.239 36 HH11 ARG 5 1HH1 ARG 5 -7.464 -5.385 -12.085 37 HH12 ARG 5 2HH1 ARG 5 -8.402 -4.845 -13.437 38 HH21 ARG 5 1HH2 ARG 5 -5.726 -3.250 -15.025 39 HH22 ARG 5 2HH2 ARG 5 -7.412 -3.631 -15.109 40 H ALA 6 H ALA 6 0.736 -3.788 -12.403 41 HA ALA 6 HA ALA 6 -0.271 -3.478 -15.021 42 HB1 ALA 6 1HB ALA 6 0.677 -0.958 -15.018 43 HB2 ALA 6 2HB ALA 6 -1.026 -1.364 -14.803 44 HB3 ALA 6 3HB ALA 6 -0.015 -1.033 -13.397 45 H PHE 7 H PHE 7 1.474 -5.075 -15.040 46 HA PHE 7 HA PHE 7 4.181 -4.173 -14.653 47 HB2 PHE 7 2HB PHE 7 3.299 -6.717 -16.017 48 HB3 PHE 7 3HB PHE 7 4.839 -6.395 -15.227 49 HD1 PHE 7 HD1 PHE 7 4.216 -5.346 -12.670 50 HD2 PHE 7 HD2 PHE 7 2.144 -8.335 -14.881 51 HE1 PHE 7 HE1 PHE 7 3.336 -6.283 -10.572 52 HE2 PHE 7 HE2 PHE 7 1.261 -9.277 -12.786 53 HZ PHE 7 HZ PHE 7 1.856 -8.250 -10.628 54 H VAL 8 H VAL 8 3.420 -2.359 -16.302 55 HA VAL 8 HA VAL 8 4.468 -3.174 -18.931 56 HB VAL 8 HB VAL 8 2.236 -1.196 -18.444 57 HG11 VAL 8 1HG1 VAL 8 2.113 -1.258 -20.976 58 HG12 VAL 8 2HG1 VAL 8 3.483 -0.391 -20.279 59 HG13 VAL 8 3HG1 VAL 8 3.706 -2.013 -20.937 60 HG21 VAL 8 1HG2 VAL 8 2.267 -3.977 -19.597 61 HG22 VAL 8 2HG2 VAL 8 1.360 -3.389 -18.203 62 HG23 VAL 8 3HG2 VAL 8 0.929 -2.851 -19.826 63 H THR 9 H THR 9 3.541 -0.125 -17.332 64 HA THR 9 HA THR 9 6.042 1.069 -18.261 65 HB THR 9 HB THR 9 3.926 2.288 -18.678 66 HG1 THR 9 HG1 THR 9 5.358 3.848 -18.606 67 HG21 THR 9 1HG2 THR 9 3.378 1.606 -16.008 68 HG22 THR 9 2HG2 THR 9 2.387 2.583 -17.093 69 HG23 THR 9 3HG2 THR 9 3.565 3.359 -16.035 70 H ILE 10 H ILE 10 6.020 -0.850 -16.063 71 HA ILE 10 HA ILE 10 6.925 0.899 -13.869 72 HB ILE 10 HB ILE 10 4.987 -0.561 -13.304 73 HG12 ILE 10 2HG1 ILE 10 7.377 -1.507 -11.749 74 HG13 ILE 10 3HG1 ILE 10 6.900 0.187 -11.706 75 HG21 ILE 10 1HG2 ILE 10 5.294 -2.952 -13.087 76 HG22 ILE 10 2HG2 ILE 10 5.613 -2.455 -14.748 77 HG23 ILE 10 3HG2 ILE 10 6.955 -2.817 -13.663 78 HD11 ILE 10 1HD1 ILE 10 4.772 -1.789 -11.197 79 HD12 ILE 10 2HD1 ILE 10 6.023 -1.629 -9.963 80 HD13 ILE 10 3HD1 ILE 10 5.077 -0.222 -10.448 Start of MODEL 14 1 H1 ARG 1 H ARG 1 2.848 -1.346 1.451 2 HA ARG 1 HA ARG 1 1.675 0.013 -0.866 3 HB2 ARG 1 2HB ARG 1 4.105 0.363 -0.133 4 HB3 ARG 1 3HB ARG 1 4.402 -1.259 -0.744 5 HG2 ARG 1 2HG ARG 1 5.016 0.234 -2.463 6 HG3 ARG 1 3HG ARG 1 3.477 -0.479 -2.949 7 HD2 ARG 1 2HD ARG 1 2.288 1.496 -2.249 8 HD3 ARG 1 3HD ARG 1 3.765 2.194 -1.586 9 HE ARG 1 HE ARG 1 2.941 2.176 -4.336 10 HH11 ARG 1 1HH1 ARG 1 5.663 2.344 -2.171 11 HH12 ARG 1 2HH1 ARG 1 6.683 3.160 -3.309 12 HH21 ARG 1 1HH2 ARG 1 4.275 3.251 -5.842 13 HH22 ARG 1 2HH2 ARG 1 5.893 3.676 -5.396 14 H GLY 2 H GLY 2 0.913 -1.061 -2.601 15 HA2 GLY 2 2HA GLY 2 0.306 -3.813 -2.402 16 HA3 GLY 2 3HA GLY 2 0.107 -2.820 -3.838 17 HA PRO 3 HA PRO 3 3.621 -5.972 -4.284 18 HB2 PRO 3 2HB PRO 3 2.413 -7.603 -6.087 19 HB3 PRO 3 3HB PRO 3 2.296 -7.848 -4.340 20 HG2 PRO 3 2HG PRO 3 0.338 -6.569 -6.208 21 HG3 PRO 3 3HG PRO 3 0.039 -7.707 -4.881 22 HD2 PRO 3 2HD PRO 3 -0.355 -5.040 -4.629 23 HD3 PRO 3 3HD PRO 3 0.165 -6.061 -3.273 24 H GLY 4 H GLY 4 1.459 -4.258 -6.427 25 HA2 GLY 4 2HA GLY 4 2.449 -2.730 -8.036 26 HA3 GLY 4 3HA GLY 4 3.702 -3.930 -8.316 27 H ARG 5 H ARG 5 0.503 -2.888 -9.103 28 HA ARG 5 HA ARG 5 0.234 -5.118 -11.008 29 HB2 ARG 5 2HB ARG 5 -2.207 -4.359 -11.072 30 HB3 ARG 5 3HB ARG 5 -1.653 -5.155 -9.605 31 HG2 ARG 5 2HG ARG 5 -1.816 -3.265 -8.347 32 HG3 ARG 5 3HG ARG 5 -1.502 -2.195 -9.715 33 HD2 ARG 5 2HD ARG 5 -4.040 -3.783 -9.389 34 HD3 ARG 5 3HD ARG 5 -3.846 -2.130 -8.807 35 HE ARG 5 HE ARG 5 -3.123 -2.141 -11.487 36 HH11 ARG 5 1HH1 ARG 5 -5.962 -2.750 -9.565 37 HH12 ARG 5 2HH1 ARG 5 -7.066 -2.250 -10.803 38 HH21 ARG 5 1HH2 ARG 5 -4.567 -1.479 -13.124 39 HH22 ARG 5 2HH2 ARG 5 -6.272 -1.528 -12.827 40 H ALA 6 H ALA 6 1.952 -3.381 -11.942 41 HA ALA 6 HA ALA 6 0.431 -1.876 -13.958 42 HB1 ALA 6 1HB ALA 6 2.138 -0.078 -13.854 43 HB2 ALA 6 2HB ALA 6 1.182 -0.227 -12.379 44 HB3 ALA 6 3HB ALA 6 2.826 -0.864 -12.433 45 H PHE 7 H PHE 7 1.111 -4.218 -14.759 46 HA PHE 7 HA PHE 7 3.817 -4.389 -15.737 47 HB2 PHE 7 2HB PHE 7 1.483 -6.141 -16.512 48 HB3 PHE 7 3HB PHE 7 3.197 -6.528 -16.614 49 HD1 PHE 7 HD1 PHE 7 0.552 -7.654 -15.043 50 HD2 PHE 7 HD2 PHE 7 4.205 -5.729 -14.008 51 HE1 PHE 7 HE1 PHE 7 0.450 -8.670 -12.804 52 HE2 PHE 7 HE2 PHE 7 4.109 -6.743 -11.769 53 HZ PHE 7 HZ PHE 7 2.230 -8.216 -11.164 54 H VAL 8 H VAL 8 3.367 -2.176 -16.810 55 HA VAL 8 HA VAL 8 2.614 -2.705 -19.604 56 HB VAL 8 HB VAL 8 1.922 -0.200 -18.062 57 HG11 VAL 8 1HG1 VAL 8 1.920 0.789 -20.056 58 HG12 VAL 8 2HG1 VAL 8 2.173 -0.744 -20.892 59 HG13 VAL 8 3HG1 VAL 8 0.540 -0.228 -20.470 60 HG21 VAL 8 1HG2 VAL 8 0.168 -2.397 -19.156 61 HG22 VAL 8 2HG2 VAL 8 0.470 -2.046 -17.455 62 HG23 VAL 8 3HG2 VAL 8 -0.413 -0.889 -18.450 63 H THR 9 H THR 9 4.071 -0.178 -17.547 64 HA THR 9 HA THR 9 6.014 0.367 -19.671 65 HB THR 9 HB THR 9 4.796 2.296 -18.725 66 HG1 THR 9 HG1 THR 9 6.786 2.832 -19.505 67 HG21 THR 9 1HG2 THR 9 4.589 2.688 -16.528 68 HG22 THR 9 2HG2 THR 9 6.302 2.390 -16.231 69 HG23 THR 9 3HG2 THR 9 5.170 1.039 -16.298 70 H ILE 10 H ILE 10 6.130 -2.005 -17.906 71 HA ILE 10 HA ILE 10 8.663 -1.455 -16.508 72 HB ILE 10 HB ILE 10 6.811 -2.328 -15.093 73 HG12 ILE 10 2HG1 ILE 10 8.943 -4.437 -15.276 74 HG13 ILE 10 3HG1 ILE 10 9.351 -2.795 -14.792 75 HG21 ILE 10 1HG2 ILE 10 7.148 -4.905 -16.609 76 HG22 ILE 10 2HG2 ILE 10 5.976 -4.536 -15.344 77 HG23 ILE 10 3HG2 ILE 10 5.845 -3.759 -16.922 78 HD11 ILE 10 1HD1 ILE 10 7.344 -4.565 -13.418 79 HD12 ILE 10 2HD1 ILE 10 8.995 -4.264 -12.876 80 HD13 ILE 10 3HD1 ILE 10 7.826 -2.945 -12.918 Start of MODEL 15 1 H1 ARG 1 H ARG 1 4.598 2.733 -6.827 2 HA ARG 1 HA ARG 1 4.059 -0.041 -7.389 3 HB2 ARG 1 2HB ARG 1 6.362 1.130 -7.089 4 HB3 ARG 1 3HB ARG 1 6.060 0.919 -5.369 5 HG2 ARG 1 2HG ARG 1 6.050 -1.434 -5.560 6 HG3 ARG 1 3HG ARG 1 5.968 -1.361 -7.321 7 HD2 ARG 1 2HD ARG 1 8.277 -0.099 -5.918 8 HD3 ARG 1 3HD ARG 1 8.236 -1.853 -6.095 9 HE ARG 1 HE ARG 1 7.710 -0.686 -8.587 10 HH11 ARG 1 1HH1 ARG 1 10.315 -1.039 -6.305 11 HH12 ARG 1 2HH1 ARG 1 11.556 -0.959 -7.510 12 HH21 ARG 1 1HH2 ARG 1 9.336 -0.580 -10.184 13 HH22 ARG 1 2HH2 ARG 1 10.998 -0.697 -9.717 14 H GLY 2 H GLY 2 1.840 0.812 -6.185 15 HA2 GLY 2 2HA GLY 2 2.030 0.233 -3.325 16 HA3 GLY 2 3HA GLY 2 0.616 0.848 -4.168 17 HA PRO 3 HA PRO 3 -1.151 -3.151 -4.394 18 HB2 PRO 3 2HB PRO 3 -2.166 -3.264 -6.909 19 HB3 PRO 3 3HB PRO 3 -2.862 -2.254 -5.637 20 HG2 PRO 3 2HG PRO 3 -1.016 -1.488 -7.866 21 HG3 PRO 3 3HG PRO 3 -2.448 -0.637 -7.257 22 HD2 PRO 3 2HD PRO 3 0.073 0.088 -6.586 23 HD3 PRO 3 3HD PRO 3 -1.302 0.279 -5.479 24 H GLY 4 H GLY 4 0.747 -2.413 -7.320 25 HA2 GLY 4 2HA GLY 4 2.595 -3.675 -8.069 26 HA3 GLY 4 3HA GLY 4 2.063 -5.011 -7.059 27 H ARG 5 H ARG 5 -0.737 -4.519 -8.201 28 HA ARG 5 HA ARG 5 -0.475 -6.416 -10.348 29 HB2 ARG 5 2HB ARG 5 -2.378 -6.152 -8.554 30 HB3 ARG 5 3HB ARG 5 -3.042 -5.014 -9.718 31 HG2 ARG 5 2HG ARG 5 -2.249 -7.499 -10.974 32 HG3 ARG 5 3HG ARG 5 -3.421 -7.750 -9.679 33 HD2 ARG 5 2HD ARG 5 -4.871 -7.337 -11.380 34 HD3 ARG 5 3HD ARG 5 -4.586 -5.676 -10.863 35 HE ARG 5 HE ARG 5 -2.666 -6.195 -12.759 36 HH11 ARG 5 1HH1 ARG 5 -6.145 -6.218 -12.629 37 HH12 ARG 5 2HH1 ARG 5 -6.340 -5.803 -14.300 38 HH21 ARG 5 1HH2 ARG 5 -2.910 -5.649 -14.960 39 HH22 ARG 5 2HH2 ARG 5 -4.500 -5.481 -15.625 40 H ALA 6 H ALA 6 0.924 -4.699 -11.494 41 HA ALA 6 HA ALA 6 -0.509 -3.771 -13.742 42 HB1 ALA 6 1HB ALA 6 0.361 -1.277 -13.120 43 HB2 ALA 6 2HB ALA 6 -1.289 -1.851 -12.878 44 HB3 ALA 6 3HB ALA 6 -0.144 -1.869 -11.537 45 H PHE 7 H PHE 7 0.998 -4.533 -15.105 46 HA PHE 7 HA PHE 7 3.815 -4.208 -14.604 47 HB2 PHE 7 2HB PHE 7 2.530 -5.168 -17.161 48 HB3 PHE 7 3HB PHE 7 4.158 -5.504 -16.581 49 HD1 PHE 7 HD1 PHE 7 3.793 -6.345 -13.859 50 HD2 PHE 7 HD2 PHE 7 1.377 -7.151 -17.269 51 HE1 PHE 7 HE1 PHE 7 2.987 -8.413 -12.796 52 HE2 PHE 7 HE2 PHE 7 0.566 -9.219 -16.211 53 HZ PHE 7 HZ PHE 7 1.371 -9.852 -13.971 54 H VAL 8 H VAL 8 3.183 -1.739 -14.522 55 HA VAL 8 HA VAL 8 3.879 -0.627 -17.160 56 HB VAL 8 HB VAL 8 1.971 0.602 -15.165 57 HG11 VAL 8 1HG1 VAL 8 1.632 2.288 -16.993 58 HG12 VAL 8 2HG1 VAL 8 3.206 2.355 -16.199 59 HG13 VAL 8 3HG1 VAL 8 3.050 1.609 -17.790 60 HG21 VAL 8 1HG2 VAL 8 1.577 -0.790 -17.792 61 HG22 VAL 8 2HG2 VAL 8 0.760 -1.072 -16.255 62 HG23 VAL 8 3HG2 VAL 8 0.404 0.381 -17.189 63 H THR 9 H THR 9 3.502 0.592 -13.829 64 HA THR 9 HA THR 9 6.047 2.005 -14.110 65 HB THR 9 HB THR 9 4.070 3.266 -13.296 66 HG1 THR 9 HG1 THR 9 5.529 4.400 -12.281 67 HG21 THR 9 1HG2 THR 9 4.182 2.191 -10.587 68 HG22 THR 9 2HG2 THR 9 3.577 1.026 -11.766 69 HG23 THR 9 3HG2 THR 9 2.786 2.592 -11.587 70 H ILE 10 H ILE 10 5.965 -0.888 -13.746 71 HA ILE 10 HA ILE 10 7.205 -1.122 -11.085 72 HB ILE 10 HB ILE 10 5.244 -2.585 -11.451 73 HG12 ILE 10 2HG1 ILE 10 7.707 -4.310 -11.351 74 HG13 ILE 10 3HG1 ILE 10 7.331 -3.187 -10.049 75 HG21 ILE 10 1HG2 ILE 10 6.918 -4.044 -13.480 76 HG22 ILE 10 2HG2 ILE 10 5.228 -4.320 -13.060 77 HG23 ILE 10 3HG2 ILE 10 5.694 -2.853 -13.920 78 HD11 ILE 10 1HD1 ILE 10 6.070 -4.763 -9.151 79 HD12 ILE 10 2HD1 ILE 10 4.976 -4.615 -10.527 80 HD13 ILE 10 3HD1 ILE 10 6.281 -5.800 -10.561 Start of MODEL 16 1 H1 ARG 1 H ARG 1 5.604 -1.732 -0.372 2 HA ARG 1 HA ARG 1 2.958 -0.898 -0.516 3 HB2 ARG 1 2HB ARG 1 5.544 0.599 -0.183 4 HB3 ARG 1 3HB ARG 1 4.005 1.448 -0.235 5 HG2 ARG 1 2HG ARG 1 3.293 0.560 1.770 6 HG3 ARG 1 3HG ARG 1 4.379 -0.827 1.659 7 HD2 ARG 1 2HD ARG 1 5.919 0.245 2.846 8 HD3 ARG 1 3HD ARG 1 5.928 1.570 1.683 9 HE ARG 1 HE ARG 1 4.652 1.532 4.249 10 HH11 ARG 1 1HH1 ARG 1 4.571 2.913 1.054 11 HH12 ARG 1 2HH1 ARG 1 3.746 4.352 1.556 12 HH21 ARG 1 1HH2 ARG 1 3.565 3.421 4.921 13 HH22 ARG 1 2HH2 ARG 1 3.175 4.640 3.755 14 H GLY 2 H GLY 2 3.233 -1.846 -2.997 15 HA2 GLY 2 2HA GLY 2 2.155 -0.827 -4.933 16 HA3 GLY 2 3HA GLY 2 3.152 0.593 -4.659 17 HA PRO 3 HA PRO 3 6.069 -2.844 -6.442 18 HB2 PRO 3 2HB PRO 3 4.837 -5.025 -7.488 19 HB3 PRO 3 3HB PRO 3 5.361 -4.934 -5.803 20 HG2 PRO 3 2HG PRO 3 2.635 -4.510 -6.963 21 HG3 PRO 3 3HG PRO 3 3.102 -5.395 -5.500 22 HD2 PRO 3 2HD PRO 3 2.099 -2.881 -5.424 23 HD3 PRO 3 3HD PRO 3 3.287 -3.471 -4.243 24 H GLY 4 H GLY 4 2.863 -2.687 -7.986 25 HA2 GLY 4 2HA GLY 4 3.037 -1.071 -9.996 26 HA3 GLY 4 3HA GLY 4 4.186 -2.265 -10.580 27 H ARG 5 H ARG 5 0.816 -1.722 -9.716 28 HA ARG 5 HA ARG 5 -0.046 -4.263 -10.761 29 HB2 ARG 5 2HB ARG 5 -1.135 -2.751 -8.908 30 HB3 ARG 5 3HB ARG 5 -1.916 -1.976 -10.281 31 HG2 ARG 5 2HG ARG 5 -2.136 -4.831 -10.494 32 HG3 ARG 5 3HG ARG 5 -2.732 -4.278 -8.928 33 HD2 ARG 5 2HD ARG 5 -4.637 -4.009 -10.139 34 HD3 ARG 5 3HD ARG 5 -3.893 -2.442 -10.457 35 HE ARG 5 HE ARG 5 -2.980 -4.081 -12.453 36 HH11 ARG 5 1HH1 ARG 5 -6.104 -3.080 -11.286 37 HH12 ARG 5 2HH1 ARG 5 -6.867 -3.205 -12.836 38 HH21 ARG 5 1HH2 ARG 5 -3.974 -4.248 -14.499 39 HH22 ARG 5 2HH2 ARG 5 -5.655 -3.870 -14.663 40 H ALA 6 H ALA 6 1.173 -3.679 -12.844 41 HA ALA 6 HA ALA 6 -0.735 -3.210 -14.876 42 HB1 ALA 6 1HB ALA 6 -0.711 -0.960 -14.801 43 HB2 ALA 6 2HB ALA 6 0.836 -0.898 -13.956 44 HB3 ALA 6 3HB ALA 6 0.794 -1.143 -15.702 45 H PHE 7 H PHE 7 -0.013 -4.925 -16.004 46 HA PHE 7 HA PHE 7 2.788 -5.453 -16.372 47 HB2 PHE 7 2HB PHE 7 0.493 -6.749 -17.844 48 HB3 PHE 7 3HB PHE 7 2.102 -7.407 -17.565 49 HD1 PHE 7 HD1 PHE 7 -0.994 -8.163 -16.795 50 HD2 PHE 7 HD2 PHE 7 2.522 -6.941 -14.730 51 HE1 PHE 7 HE1 PHE 7 -1.809 -9.275 -14.756 52 HE2 PHE 7 HE2 PHE 7 1.713 -8.051 -12.689 53 HZ PHE 7 HZ PHE 7 -0.454 -9.221 -12.700 54 H VAL 8 H VAL 8 2.822 -3.081 -17.287 55 HA VAL 8 HA VAL 8 2.765 -3.330 -20.221 56 HB VAL 8 HB VAL 8 2.024 -0.851 -18.659 57 HG11 VAL 8 1HG1 VAL 8 2.834 -1.291 -21.417 58 HG12 VAL 8 2HG1 VAL 8 1.263 -0.499 -21.284 59 HG13 VAL 8 3HG1 VAL 8 2.679 0.213 -20.509 60 HG21 VAL 8 1HG2 VAL 8 0.203 -2.356 -18.515 61 HG22 VAL 8 2HG2 VAL 8 -0.203 -1.215 -19.797 62 HG23 VAL 8 3HG2 VAL 8 0.369 -2.832 -20.205 63 H THR 9 H THR 9 3.852 -0.903 -17.845 64 HA THR 9 HA THR 9 6.390 -0.702 -19.281 65 HB THR 9 HB THR 9 5.174 1.387 -18.760 66 HG1 THR 9 HG1 THR 9 7.508 1.333 -18.884 67 HG21 THR 9 1HG2 THR 9 4.580 0.261 -16.371 68 HG22 THR 9 2HG2 THR 9 4.503 1.994 -16.688 69 HG23 THR 9 3HG2 THR 9 5.927 1.302 -15.911 70 H ILE 10 H ILE 10 5.757 -3.003 -17.573 71 HA ILE 10 HA ILE 10 7.893 -2.680 -15.566 72 HB ILE 10 HB ILE 10 5.655 -3.043 -14.558 73 HG12 ILE 10 2HG1 ILE 10 7.366 -5.484 -14.121 74 HG13 ILE 10 3HG1 ILE 10 7.880 -3.887 -13.590 75 HG21 ILE 10 1HG2 ILE 10 4.445 -5.055 -14.848 76 HG22 ILE 10 2HG2 ILE 10 4.847 -4.483 -16.466 77 HG23 ILE 10 3HG2 ILE 10 5.765 -5.804 -15.745 78 HD11 ILE 10 1HD1 ILE 10 5.972 -5.720 -12.408 79 HD12 ILE 10 2HD1 ILE 10 6.823 -4.350 -11.695 80 HD13 ILE 10 3HD1 ILE 10 5.327 -4.090 -12.592 Start of MODEL 17 1 H1 ARG 1 H ARG 1 2.680 2.886 -6.447 2 HA ARG 1 HA ARG 1 4.330 1.433 -5.041 3 HB2 ARG 1 2HB ARG 1 1.447 1.994 -4.492 4 HB3 ARG 1 3HB ARG 1 2.333 0.963 -3.376 5 HG2 ARG 1 2HG ARG 1 3.945 2.726 -2.979 6 HG3 ARG 1 3HG ARG 1 3.133 3.758 -4.159 7 HD2 ARG 1 2HD ARG 1 2.342 4.498 -2.082 8 HD3 ARG 1 3HD ARG 1 1.051 3.477 -2.712 9 HE ARG 1 HE ARG 1 2.806 1.957 -1.100 10 HH11 ARG 1 1HH1 ARG 1 0.300 4.364 -0.897 11 HH12 ARG 1 2HH1 ARG 1 -0.212 3.885 0.688 12 HH21 ARG 1 1HH2 ARG 1 2.142 1.317 0.986 13 HH22 ARG 1 2HH2 ARG 1 0.837 2.153 1.758 14 H GLY 2 H GLY 2 4.034 -0.616 -3.704 15 HA2 GLY 2 2HA GLY 2 3.437 -2.870 -3.525 16 HA3 GLY 2 3HA GLY 2 2.522 -2.723 -5.019 17 HA PRO 3 HA PRO 3 6.492 -5.068 -5.797 18 HB2 PRO 3 2HB PRO 3 5.304 -7.253 -6.884 19 HB3 PRO 3 3HB PRO 3 5.596 -7.082 -5.149 20 HG2 PRO 3 2HG PRO 3 3.080 -6.612 -6.702 21 HG3 PRO 3 3HG PRO 3 3.296 -7.425 -5.141 22 HD2 PRO 3 2HD PRO 3 2.423 -4.870 -5.343 23 HD3 PRO 3 3HD PRO 3 3.406 -5.438 -3.978 24 H GLY 4 H GLY 4 3.627 -4.306 -7.654 25 HA2 GLY 4 2HA GLY 4 4.522 -3.016 -9.747 26 HA3 GLY 4 3HA GLY 4 5.094 -4.622 -10.173 27 H ARG 5 H ARG 5 2.067 -3.210 -8.914 28 HA ARG 5 HA ARG 5 0.488 -5.091 -10.414 29 HB2 ARG 5 2HB ARG 5 -0.007 -3.929 -8.105 30 HB3 ARG 5 3HB ARG 5 -0.681 -2.661 -9.121 31 HG2 ARG 5 2HG ARG 5 -1.982 -4.623 -10.232 32 HG3 ARG 5 3HG ARG 5 -1.608 -5.467 -8.728 33 HD2 ARG 5 2HD ARG 5 -3.708 -4.476 -8.369 34 HD3 ARG 5 3HD ARG 5 -2.557 -3.433 -7.534 35 HE ARG 5 HE ARG 5 -2.830 -2.360 -10.048 36 HH11 ARG 5 1HH1 ARG 5 -4.947 -3.090 -7.383 37 HH12 ARG 5 2HH1 ARG 5 -6.054 -1.806 -7.741 38 HH21 ARG 5 1HH2 ARG 5 -4.280 -0.666 -10.530 39 HH22 ARG 5 2HH2 ARG 5 -5.674 -0.428 -9.531 40 H ALA 6 H ALA 6 1.757 -4.141 -12.398 41 HA ALA 6 HA ALA 6 -0.145 -2.802 -14.006 42 HB1 ALA 6 1HB ALA 6 1.925 -1.150 -12.702 43 HB2 ALA 6 2HB ALA 6 1.659 -0.860 -14.422 44 HB3 ALA 6 3HB ALA 6 0.319 -0.711 -13.285 45 H PHE 7 H PHE 7 0.156 -4.159 -15.668 46 HA PHE 7 HA PHE 7 2.777 -5.052 -16.458 47 HB2 PHE 7 2HB PHE 7 0.199 -5.437 -17.980 48 HB3 PHE 7 3HB PHE 7 1.657 -6.420 -18.062 49 HD1 PHE 7 HD1 PHE 7 -1.537 -6.622 -17.079 50 HD2 PHE 7 HD2 PHE 7 2.350 -7.072 -15.405 51 HE1 PHE 7 HE1 PHE 7 -2.456 -8.119 -15.356 52 HE2 PHE 7 HE2 PHE 7 1.438 -8.570 -13.680 53 HZ PHE 7 HZ PHE 7 -0.968 -9.095 -13.654 54 H VAL 8 H VAL 8 3.187 -2.532 -16.660 55 HA VAL 8 HA VAL 8 2.967 -1.912 -19.530 56 HB VAL 8 HB VAL 8 2.721 0.087 -17.277 57 HG11 VAL 8 1HG1 VAL 8 2.037 1.521 -19.369 58 HG12 VAL 8 2HG1 VAL 8 3.732 1.327 -18.921 59 HG13 VAL 8 3HG1 VAL 8 3.047 0.358 -20.226 60 HG21 VAL 8 1HG2 VAL 8 0.433 0.420 -18.178 61 HG22 VAL 8 2HG2 VAL 8 0.689 -0.960 -19.245 62 HG23 VAL 8 3HG2 VAL 8 0.688 -1.186 -17.497 63 H THR 9 H THR 9 4.567 -0.541 -16.651 64 HA THR 9 HA THR 9 7.032 -0.280 -18.204 65 HB THR 9 HB THR 9 6.208 1.694 -16.945 66 HG1 THR 9 HG1 THR 9 8.256 2.178 -16.064 67 HG21 THR 9 1HG2 THR 9 7.129 0.808 -14.343 68 HG22 THR 9 2HG2 THR 9 5.756 -0.144 -14.908 69 HG23 THR 9 3HG2 THR 9 5.624 1.610 -14.790 70 H ILE 10 H ILE 10 6.075 -2.875 -17.205 71 HA ILE 10 HA ILE 10 8.351 -3.535 -15.452 72 HB ILE 10 HB ILE 10 6.164 -3.793 -14.310 73 HG12 ILE 10 2HG1 ILE 10 7.433 -6.484 -14.827 74 HG13 ILE 10 3HG1 ILE 10 8.202 -5.239 -13.850 75 HG21 ILE 10 1HG2 ILE 10 4.544 -5.363 -15.002 76 HG22 ILE 10 2HG2 ILE 10 4.958 -4.433 -16.441 77 HG23 ILE 10 3HG2 ILE 10 5.619 -6.052 -16.217 78 HD11 ILE 10 1HD1 ILE 10 5.701 -5.408 -12.748 79 HD12 ILE 10 2HD1 ILE 10 6.056 -7.080 -13.184 80 HD13 ILE 10 3HD1 ILE 10 7.158 -6.189 -12.134 Start of MODEL 18 1 H1 ARG 1 H ARG 1 4.004 -0.941 0.616 2 HA ARG 1 HA ARG 1 2.637 1.057 -1.061 3 HB2 ARG 1 2HB ARG 1 5.134 -0.504 -1.592 4 HB3 ARG 1 3HB ARG 1 4.081 -0.089 -2.938 5 HG2 ARG 1 2HG ARG 1 5.592 1.652 -2.921 6 HG3 ARG 1 3HG ARG 1 4.235 2.318 -2.011 7 HD2 ARG 1 2HD ARG 1 6.215 2.868 -0.816 8 HD3 ARG 1 3HD ARG 1 5.406 1.585 0.083 9 HE ARG 1 HE ARG 1 7.192 0.316 -1.580 10 HH11 ARG 1 1HH1 ARG 1 7.357 2.696 0.956 11 HH12 ARG 1 2HH1 ARG 1 8.943 2.227 1.471 12 HH21 ARG 1 1HH2 ARG 1 9.280 -0.311 -0.910 13 HH22 ARG 1 2HH2 ARG 1 10.036 0.517 0.409 14 H GLY 2 H GLY 2 1.653 0.081 -3.047 15 HA2 GLY 2 2HA GLY 2 0.046 -2.170 -2.279 16 HA3 GLY 2 3HA GLY 2 -0.042 -1.296 -3.801 17 HA PRO 3 HA PRO 3 1.865 -5.552 -4.401 18 HB2 PRO 3 2HB PRO 3 -0.025 -6.489 -6.110 19 HB3 PRO 3 3HB PRO 3 -0.143 -6.669 -4.355 20 HG2 PRO 3 2HG PRO 3 -1.452 -4.657 -6.145 21 HG3 PRO 3 3HG PRO 3 -2.142 -5.561 -4.784 22 HD2 PRO 3 2HD PRO 3 -1.328 -2.988 -4.561 23 HD3 PRO 3 3HD PRO 3 -1.229 -4.140 -3.215 24 H GLY 4 H GLY 4 0.460 -3.128 -6.518 25 HA2 GLY 4 2HA GLY 4 1.316 -2.188 -8.444 26 HA3 GLY 4 3HA GLY 4 2.755 -3.175 -8.229 27 H ARG 5 H ARG 5 -0.338 -2.905 -9.759 28 HA ARG 5 HA ARG 5 0.213 -5.387 -11.252 29 HB2 ARG 5 2HB ARG 5 -2.303 -5.347 -11.704 30 HB3 ARG 5 3HB ARG 5 -1.787 -5.787 -10.081 31 HG2 ARG 5 2HG ARG 5 -2.643 -3.904 -9.146 32 HG3 ARG 5 3HG ARG 5 -2.378 -2.931 -10.594 33 HD2 ARG 5 2HD ARG 5 -4.448 -5.109 -10.448 34 HD3 ARG 5 3HD ARG 5 -4.789 -3.439 -9.995 35 HE ARG 5 HE ARG 5 -3.648 -3.448 -12.550 36 HH11 ARG 5 1HH1 ARG 5 -6.561 -4.469 -10.940 37 HH12 ARG 5 2HH1 ARG 5 -7.556 -4.290 -12.347 38 HH21 ARG 5 1HH2 ARG 5 -4.947 -3.208 -14.408 39 HH22 ARG 5 2HH2 ARG 5 -6.637 -3.573 -14.319 40 H ALA 6 H ALA 6 1.540 -3.358 -12.236 41 HA ALA 6 HA ALA 6 -0.010 -2.560 -14.605 42 HB1 ALA 6 1HB ALA 6 0.074 -0.595 -13.249 43 HB2 ALA 6 2HB ALA 6 1.806 -0.792 -12.976 44 HB3 ALA 6 3HB ALA 6 1.208 -0.382 -14.583 45 H PHE 7 H PHE 7 1.353 -4.731 -14.938 46 HA PHE 7 HA PHE 7 4.117 -4.294 -15.609 47 HB2 PHE 7 2HB PHE 7 2.425 -6.675 -16.370 48 HB3 PHE 7 3HB PHE 7 4.176 -6.605 -16.206 49 HD1 PHE 7 HD1 PHE 7 4.653 -5.381 -13.674 50 HD2 PHE 7 HD2 PHE 7 1.566 -8.093 -14.786 51 HE1 PHE 7 HE1 PHE 7 4.463 -6.119 -11.335 52 HE2 PHE 7 HE2 PHE 7 1.371 -8.834 -12.448 53 HZ PHE 7 HZ PHE 7 2.819 -7.846 -10.719 54 H VAL 8 H VAL 8 3.217 -2.410 -17.030 55 HA VAL 8 HA VAL 8 2.965 -3.446 -19.778 56 HB VAL 8 HB VAL 8 1.696 -0.905 -18.750 57 HG11 VAL 8 1HG1 VAL 8 1.706 -2.287 -21.418 58 HG12 VAL 8 2HG1 VAL 8 0.465 -1.115 -20.969 59 HG13 VAL 8 3HG1 VAL 8 2.158 -0.625 -21.038 60 HG21 VAL 8 1HG2 VAL 8 0.365 -3.515 -19.466 61 HG22 VAL 8 2HG2 VAL 8 0.637 -2.938 -17.822 62 HG23 VAL 8 3HG2 VAL 8 -0.430 -2.045 -18.905 63 H THR 9 H THR 9 3.615 -0.364 -18.097 64 HA THR 9 HA THR 9 5.693 0.220 -20.074 65 HB THR 9 HB THR 9 4.015 1.973 -19.651 66 HG1 THR 9 HG1 THR 9 5.895 2.869 -20.281 67 HG21 THR 9 1HG2 THR 9 3.331 2.477 -17.592 68 HG22 THR 9 2HG2 THR 9 4.971 2.939 -17.135 69 HG23 THR 9 3HG2 THR 9 4.440 1.268 -16.947 70 H ILE 10 H ILE 10 6.134 -1.774 -18.016 71 HA ILE 10 HA ILE 10 8.190 -0.449 -16.378 72 HB ILE 10 HB ILE 10 6.542 -1.618 -15.036 73 HG12 ILE 10 2HG1 ILE 10 8.994 -3.365 -15.027 74 HG13 ILE 10 3HG1 ILE 10 9.070 -1.680 -14.522 75 HG21 ILE 10 1HG2 ILE 10 5.746 -3.217 -16.669 76 HG22 ILE 10 2HG2 ILE 10 7.297 -4.054 -16.643 77 HG23 ILE 10 3HG2 ILE 10 6.268 -4.061 -15.211 78 HD11 ILE 10 1HD1 ILE 10 6.895 -2.882 -13.174 79 HD12 ILE 10 2HD1 ILE 10 8.289 -3.951 -13.022 80 HD13 ILE 10 3HD1 ILE 10 8.406 -2.270 -12.503 Start of MODEL 19 1 H1 ARG 1 H ARG 1 2.498 3.052 -6.540 2 HA ARG 1 HA ARG 1 3.337 0.614 -7.781 3 HB2 ARG 1 2HB ARG 1 3.804 1.647 -4.977 4 HB3 ARG 1 3HB ARG 1 4.620 0.266 -5.699 5 HG2 ARG 1 2HG ARG 1 5.505 1.809 -7.454 6 HG3 ARG 1 3HG ARG 1 4.830 3.150 -6.526 7 HD2 ARG 1 2HD ARG 1 6.177 1.993 -4.565 8 HD3 ARG 1 3HD ARG 1 7.133 1.372 -5.911 9 HE ARG 1 HE ARG 1 6.830 4.117 -6.281 10 HH11 ARG 1 1HH1 ARG 1 8.335 1.925 -4.034 11 HH12 ARG 1 2HH1 ARG 1 9.600 3.028 -3.603 12 HH21 ARG 1 1HH2 ARG 1 8.490 5.578 -5.722 13 HH22 ARG 1 2HH2 ARG 1 9.687 5.106 -4.564 14 H GLY 2 H GLY 2 2.159 -1.178 -7.829 15 HA2 GLY 2 2HA GLY 2 0.220 -1.655 -5.667 16 HA3 GLY 2 3HA GLY 2 0.153 -2.369 -7.271 17 HA PRO 3 HA PRO 3 2.034 -5.359 -4.169 18 HB2 PRO 3 2HB PRO 3 0.156 -7.299 -4.448 19 HB3 PRO 3 3HB PRO 3 0.018 -5.991 -3.267 20 HG2 PRO 3 2HG PRO 3 -1.255 -6.251 -5.964 21 HG3 PRO 3 3HG PRO 3 -1.968 -5.691 -4.440 22 HD2 PRO 3 2HD PRO 3 -1.136 -3.987 -6.374 23 HD3 PRO 3 3HD PRO 3 -1.061 -3.581 -4.647 24 H GLY 4 H GLY 4 0.838 -5.480 -7.431 25 HA2 GLY 4 2HA GLY 4 3.065 -6.746 -8.497 26 HA3 GLY 4 3HA GLY 4 1.898 -8.014 -8.152 27 H ARG 5 H ARG 5 -0.429 -6.396 -8.711 28 HA ARG 5 HA ARG 5 -0.500 -6.765 -11.558 29 HB2 ARG 5 2HB ARG 5 -2.391 -7.118 -9.784 30 HB3 ARG 5 3HB ARG 5 -2.675 -5.398 -10.016 31 HG2 ARG 5 2HG ARG 5 -2.563 -6.298 -12.588 32 HG3 ARG 5 3HG ARG 5 -3.311 -7.658 -11.748 33 HD2 ARG 5 2HD ARG 5 -4.993 -6.096 -12.582 34 HD3 ARG 5 3HD ARG 5 -5.002 -6.167 -10.820 35 HE ARG 5 HE ARG 5 -3.334 -4.066 -11.595 36 HH11 ARG 5 1HH1 ARG 5 -6.702 -4.939 -11.703 37 HH12 ARG 5 2HH1 ARG 5 -7.262 -3.300 -11.654 38 HH21 ARG 5 1HH2 ARG 5 -4.059 -1.905 -11.531 39 HH22 ARG 5 2HH2 ARG 5 -5.758 -1.575 -11.557 40 H ALA 6 H ALA 6 1.386 -5.042 -11.516 41 HA ALA 6 HA ALA 6 0.165 -2.543 -12.424 42 HB1 ALA 6 1HB ALA 6 2.411 -2.690 -10.419 43 HB2 ALA 6 2HB ALA 6 1.904 -1.220 -11.253 44 HB3 ALA 6 3HB ALA 6 0.792 -2.041 -10.158 45 H PHE 7 H PHE 7 0.881 -4.235 -14.256 46 HA PHE 7 HA PHE 7 3.665 -4.048 -14.975 47 HB2 PHE 7 2HB PHE 7 1.401 -5.019 -16.720 48 HB3 PHE 7 3HB PHE 7 3.111 -5.416 -16.854 49 HD1 PHE 7 HD1 PHE 7 3.905 -6.174 -14.212 50 HD2 PHE 7 HD2 PHE 7 0.229 -6.928 -16.222 51 HE1 PHE 7 HE1 PHE 7 3.552 -8.167 -12.812 52 HE2 PHE 7 HE2 PHE 7 -0.130 -8.921 -14.824 53 HZ PHE 7 HZ PHE 7 1.532 -9.542 -13.116 54 H VAL 8 H VAL 8 3.299 -1.564 -14.787 55 HA VAL 8 HA VAL 8 2.852 -0.566 -17.519 56 HB VAL 8 HB VAL 8 2.014 0.884 -15.004 57 HG11 VAL 8 1HG1 VAL 8 0.785 2.121 -17.096 58 HG12 VAL 8 2HG1 VAL 8 2.283 2.667 -16.340 59 HG13 VAL 8 3HG1 VAL 8 2.340 1.685 -17.804 60 HG21 VAL 8 1HG2 VAL 8 0.518 -0.961 -15.406 61 HG22 VAL 8 2HG2 VAL 8 -0.290 0.540 -15.857 62 HG23 VAL 8 3HG2 VAL 8 0.367 -0.518 -17.106 63 H THR 9 H THR 9 4.177 0.298 -14.326 64 HA THR 9 HA THR 9 6.262 1.868 -15.666 65 HB THR 9 HB THR 9 4.973 2.989 -13.868 66 HG1 THR 9 HG1 THR 9 6.934 3.891 -14.030 67 HG21 THR 9 1HG2 THR 9 5.172 0.601 -12.536 68 HG22 THR 9 2HG2 THR 9 4.685 2.134 -11.811 69 HG23 THR 9 3HG2 THR 9 6.361 1.598 -11.700 70 H ILE 10 H ILE 10 6.235 -1.079 -15.538 71 HA ILE 10 HA ILE 10 8.694 -1.500 -13.968 72 HB ILE 10 HB ILE 10 6.799 -2.873 -13.193 73 HG12 ILE 10 2HG1 ILE 10 8.893 -4.554 -14.584 74 HG13 ILE 10 3HG1 ILE 10 9.172 -3.678 -13.084 75 HG21 ILE 10 1HG2 ILE 10 6.888 -4.069 -15.960 76 HG22 ILE 10 2HG2 ILE 10 5.909 -4.651 -14.615 77 HG23 ILE 10 3HG2 ILE 10 5.599 -3.059 -15.307 78 HD11 ILE 10 1HD1 ILE 10 7.227 -5.927 -13.525 79 HD12 ILE 10 2HD1 ILE 10 8.720 -5.974 -12.588 80 HD13 ILE 10 3HD1 ILE 10 7.362 -4.994 -12.035 Start of MODEL 20 1 H1 ARG 1 H ARG 1 1.697 2.054 -3.235 2 HA ARG 1 HA ARG 1 3.303 2.892 -4.686 3 HB2 ARG 1 2HB ARG 1 5.586 2.569 -3.648 4 HB3 ARG 1 3HB ARG 1 4.344 3.199 -2.575 5 HG2 ARG 1 2HG ARG 1 4.741 0.263 -2.631 6 HG3 ARG 1 3HG ARG 1 5.985 1.249 -1.858 7 HD2 ARG 1 2HD ARG 1 3.145 1.798 -1.180 8 HD3 ARG 1 3HD ARG 1 3.881 0.335 -0.527 9 HE ARG 1 HE ARG 1 5.603 2.496 -0.058 10 HH11 ARG 1 1HH1 ARG 1 2.494 1.294 0.946 11 HH12 ARG 1 2HH1 ARG 1 2.576 2.017 2.518 12 HH21 ARG 1 1HH2 ARG 1 5.723 3.453 2.008 13 HH22 ARG 1 2HH2 ARG 1 4.413 3.246 3.121 14 H GLY 2 H GLY 2 2.344 0.190 -5.448 15 HA2 GLY 2 2HA GLY 2 3.033 -0.808 -7.539 16 HA3 GLY 2 3HA GLY 2 4.702 -0.575 -7.043 17 HA PRO 3 HA PRO 3 3.007 -4.270 -4.413 18 HB2 PRO 3 2HB PRO 3 0.582 -5.254 -5.138 19 HB3 PRO 3 3HB PRO 3 0.779 -3.980 -3.929 20 HG2 PRO 3 2HG PRO 3 0.046 -3.748 -6.822 21 HG3 PRO 3 3HG PRO 3 -0.642 -2.905 -5.422 22 HD2 PRO 3 2HD PRO 3 1.168 -1.751 -7.072 23 HD3 PRO 3 3HD PRO 3 1.078 -1.373 -5.340 24 H GLY 4 H GLY 4 2.124 -4.101 -7.830 25 HA2 GLY 4 2HA GLY 4 3.870 -5.721 -8.985 26 HA3 GLY 4 3HA GLY 4 2.825 -6.909 -8.219 27 H ARG 5 H ARG 5 0.445 -5.176 -8.626 28 HA ARG 5 HA ARG 5 -0.246 -6.167 -11.230 29 HB2 ARG 5 2HB ARG 5 -1.738 -5.889 -9.097 30 HB3 ARG 5 3HB ARG 5 -1.957 -4.249 -9.692 31 HG2 ARG 5 2HG ARG 5 -2.451 -5.711 -11.933 32 HG3 ARG 5 3HG ARG 5 -3.071 -6.770 -10.664 33 HD2 ARG 5 2HD ARG 5 -4.806 -5.267 -11.508 34 HD3 ARG 5 3HD ARG 5 -4.454 -4.961 -9.808 35 HE ARG 5 HE ARG 5 -2.876 -3.247 -11.350 36 HH11 ARG 5 1HH1 ARG 5 -6.229 -3.785 -10.588 37 HH12 ARG 5 2HH1 ARG 5 -6.679 -2.126 -10.801 38 HH21 ARG 5 1HH2 ARG 5 -3.455 -1.059 -11.634 39 HH22 ARG 5 2HH2 ARG 5 -5.101 -0.576 -11.397 40 H ALA 6 H ALA 6 1.669 -4.748 -12.051 41 HA ALA 6 HA ALA 6 0.458 -2.399 -13.285 42 HB1 ALA 6 1HB ALA 6 3.042 -2.291 -11.736 43 HB2 ALA 6 2HB ALA 6 2.461 -1.018 -12.811 44 HB3 ALA 6 3HB ALA 6 1.542 -1.439 -11.365 45 H PHE 7 H PHE 7 0.736 -4.588 -14.692 46 HA PHE 7 HA PHE 7 3.324 -4.841 -15.922 47 HB2 PHE 7 2HB PHE 7 0.716 -5.980 -16.932 48 HB3 PHE 7 3HB PHE 7 2.345 -6.562 -17.261 49 HD1 PHE 7 HD1 PHE 7 3.624 -6.780 -14.736 50 HD2 PHE 7 HD2 PHE 7 -0.447 -7.538 -15.721 51 HE1 PHE 7 HE1 PHE 7 3.454 -8.330 -12.832 52 HE2 PHE 7 HE2 PHE 7 -0.623 -9.088 -13.819 53 HZ PHE 7 HZ PHE 7 1.329 -9.485 -12.370 54 H VAL 8 H VAL 8 3.144 -2.368 -16.327 55 HA VAL 8 HA VAL 8 2.114 -1.997 -19.063 56 HB VAL 8 HB VAL 8 2.224 0.152 -16.945 57 HG11 VAL 8 1HG1 VAL 8 2.296 1.359 -18.869 58 HG12 VAL 8 2HG1 VAL 8 1.535 0.087 -19.827 59 HG13 VAL 8 3HG1 VAL 8 0.553 1.110 -18.779 60 HG21 VAL 8 1HG2 VAL 8 0.534 -1.457 -16.331 61 HG22 VAL 8 2HG2 VAL 8 -0.247 -0.002 -16.951 62 HG23 VAL 8 3HG2 VAL 8 -0.126 -1.439 -17.967 63 H THR 9 H THR 9 4.217 -0.276 -16.750 64 HA THR 9 HA THR 9 6.072 0.307 -18.932 65 HB THR 9 HB THR 9 5.349 2.156 -17.433 66 HG1 THR 9 HG1 THR 9 7.254 2.659 -18.311 67 HG21 THR 9 1HG2 THR 9 7.099 1.600 -15.235 68 HG22 THR 9 2HG2 THR 9 5.939 0.282 -15.407 69 HG23 THR 9 3HG2 THR 9 5.369 1.940 -15.217 70 H ILE 10 H ILE 10 5.877 -2.384 -17.858 71 HA ILE 10 HA ILE 10 8.562 -2.655 -16.672 72 HB ILE 10 HB ILE 10 6.706 -3.447 -15.216 73 HG12 ILE 10 2HG1 ILE 10 8.444 -5.718 -16.193 74 HG13 ILE 10 3HG1 ILE 10 9.037 -4.408 -15.179 75 HG21 ILE 10 1HG2 ILE 10 5.485 -5.462 -15.803 76 HG22 ILE 10 2HG2 ILE 10 5.205 -4.202 -17.004 77 HG23 ILE 10 3HG2 ILE 10 6.310 -5.529 -17.361 78 HD11 ILE 10 1HD1 ILE 10 7.005 -5.158 -13.664 79 HD12 ILE 10 2HD1 ILE 10 7.275 -6.686 -14.503 80 HD13 ILE 10 3HD1 ILE 10 8.581 -5.945 -13.579
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