NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
625422 | 5z5w | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 2.642 -0.931 -1.294 3 HB VAL 1 HB VAL 1 0.696 1.055 -2.472 4 HG11 VAL 1 1HG1 VAL 1 1.319 0.080 -4.604 5 HG12 VAL 1 2HG1 VAL 1 2.752 0.692 -3.775 6 HG13 VAL 1 3HG1 VAL 1 2.416 -1.040 -3.796 7 HG21 VAL 1 3HG2 VAL 1 -0.871 -0.504 -2.208 8 HG22 VAL 1 1HG2 VAL 1 0.040 -1.517 -3.328 9 HG23 VAL 1 2HG2 VAL 1 0.304 -1.664 -1.590 10 H PHE 2 H PHE 2 4.585 -0.067 -0.792 11 HA PHE 2 HA PHE 2 4.915 2.839 -1.134 12 HB2 PHE 2 2HB PHE 2 6.508 0.871 0.517 13 HB3 PHE 2 3HB PHE 2 6.984 2.546 0.259 14 HD1 PHE 2 HD1 PHE 2 4.909 4.240 0.725 15 HD2 PHE 2 HD2 PHE 2 5.511 0.429 2.523 16 HE1 PHE 2 HE1 PHE 2 3.528 4.930 2.641 17 HE2 PHE 2 HE2 PHE 2 4.130 1.112 4.441 18 HZ PHE 2 HZ PHE 2 3.136 3.365 4.502 19 H ARG 3 H ARG 3 4.846 1.415 -3.436 20 HA ARG 3 HA ARG 3 7.674 1.153 -4.218 21 HB2 ARG 3 2HB ARG 3 5.233 -0.083 -5.506 22 HB3 ARG 3 3HB ARG 3 6.891 -0.279 -6.058 23 HG2 ARG 3 2HG ARG 3 5.880 -1.152 -3.360 24 HG3 ARG 3 3HG ARG 3 6.031 -2.206 -4.768 25 HD2 ARG 3 2HD ARG 3 8.503 -0.969 -4.577 26 HD3 ARG 3 3HD ARG 3 8.055 -1.292 -2.903 27 HE ARG 3 HE ARG 3 8.328 -3.532 -3.295 28 HH11 ARG 3 1HH1 ARG 3 8.184 -1.843 -6.336 29 HH12 ARG 3 2HH1 ARG 3 8.627 -3.229 -7.276 30 HH21 ARG 3 2HH2 ARG 3 9.040 -5.232 -6.243 31 HH22 ARG 3 1HH2 ARG 3 8.912 -5.364 -4.521 32 H LEU 4 H LEU 4 7.623 3.531 -4.407 33 HA LEU 4 HA LEU 4 6.325 4.419 -6.896 34 HB2 LEU 4 2HB LEU 4 6.136 6.565 -6.035 35 HB3 LEU 4 3HB LEU 4 5.758 5.530 -4.659 36 HG LEU 4 HG LEU 4 8.453 5.940 -4.362 37 HD11 LEU 4 1HD1 LEU 4 7.749 7.816 -6.234 38 HD12 LEU 4 2HD1 LEU 4 9.140 7.910 -5.154 39 HD13 LEU 4 3HD1 LEU 4 7.631 8.713 -4.720 40 HD21 LEU 4 3HD2 LEU 4 7.851 7.249 -2.473 41 HD22 LEU 4 1HD2 LEU 4 6.582 6.043 -2.688 42 HD23 LEU 4 2HD2 LEU 4 6.311 7.709 -3.200 43 H LYS 5 H LYS 5 9.113 3.199 -6.058 44 HA LYS 5 HA LYS 5 10.819 5.215 -7.330 45 HB2 LYS 5 2HB LYS 5 12.699 3.847 -6.532 46 HB3 LYS 5 3HB LYS 5 11.631 4.313 -5.216 47 HG2 LYS 5 2HG LYS 5 10.804 2.165 -4.952 48 HG3 LYS 5 3HG LYS 5 11.298 1.670 -6.573 49 HD2 LYS 5 2HD LYS 5 12.947 0.648 -5.382 50 HD3 LYS 5 3HD LYS 5 13.704 2.231 -5.578 51 HE2 LYS 5 2HE LYS 5 13.139 2.887 -3.391 52 HE3 LYS 5 3HE LYS 5 11.976 1.574 -3.210 53 HZ1 LYS 5 3HZ LYS 5 13.682 0.007 -2.998 54 HZ2 LYS 5 1HZ LYS 5 14.191 1.311 -2.049 55 HZ3 LYS 5 2HZ LYS 5 14.867 1.065 -3.579 56 H LYS 6 H LYS 6 8.913 2.784 -8.311 57 HA LYS 6 HA LYS 6 10.775 1.830 -10.379 58 HB2 LYS 6 2HB LYS 6 9.580 0.153 -8.904 59 HB3 LYS 6 3HB LYS 6 8.083 0.656 -9.679 60 HG2 LYS 6 2HG LYS 6 10.187 -0.047 -11.571 61 HG3 LYS 6 3HG LYS 6 9.710 -1.377 -10.512 62 HD2 LYS 6 2HD LYS 6 7.624 0.286 -11.866 63 HD3 LYS 6 3HD LYS 6 8.447 -0.997 -12.756 64 HE2 LYS 6 2HE LYS 6 7.631 -2.664 -11.325 65 HE3 LYS 6 3HE LYS 6 7.188 -1.498 -10.078 66 HZ1 LYS 6 3HZ LYS 6 5.598 -2.509 -12.147 67 HZ2 LYS 6 1HZ LYS 6 5.797 -0.851 -12.417 68 HZ3 LYS 6 2HZ LYS 6 5.170 -1.398 -10.945 69 H TRP 7 H TRP 7 7.876 3.630 -9.817 70 HA TRP 7 HA TRP 7 7.292 3.733 -12.689 71 HB2 TRP 7 2HB TRP 7 5.119 4.345 -12.164 72 HB3 TRP 7 3HB TRP 7 5.526 3.305 -10.802 73 HD1 TRP 7 HD1 TRP 7 7.068 5.283 -8.944 74 HE1 TRP 7 HE1 TRP 7 5.849 7.258 -7.831 75 HE3 TRP 7 HE3 TRP 7 3.073 5.661 -12.111 76 HZ2 TRP 7 HZ2 TRP 7 3.504 8.775 -8.241 77 HZ3 TRP 7 HZ3 TRP 7 1.387 7.401 -11.680 78 HH2 TRP 7 HH2 TRP 7 1.599 8.924 -9.784 79 H ILE 8 H ILE 8 8.725 5.529 -10.168 80 HA ILE 8 HA ILE 8 8.229 8.161 -11.015 81 HB ILE 8 HB ILE 8 9.156 7.833 -8.844 82 HG12 ILE 8 2HG1 ILE 8 10.025 9.749 -10.495 83 HG13 ILE 8 3HG1 ILE 8 10.599 9.607 -8.837 84 HG21 ILE 8 1HG2 ILE 8 11.479 6.517 -10.241 85 HG22 ILE 8 2HG2 ILE 8 11.456 6.943 -8.530 86 HG23 ILE 8 3HG2 ILE 8 10.313 5.755 -9.158 87 HD11 ILE 8 3HD1 ILE 8 12.641 8.735 -9.487 88 HD12 ILE 8 1HD1 ILE 8 12.038 8.236 -11.067 89 HD13 ILE 8 2HD1 ILE 8 12.307 9.945 -10.725 90 H GLN 9 H GLN 9 10.744 5.843 -11.909 91 HA GLN 9 HA GLN 9 12.376 7.522 -13.415 92 HB2 GLN 9 2HB GLN 9 11.974 4.650 -13.124 93 HB3 GLN 9 3HB GLN 9 12.463 5.096 -14.753 94 HG2 GLN 9 2HG GLN 9 14.262 6.516 -13.453 95 HG3 GLN 9 3HG GLN 9 13.948 5.322 -12.194 96 HE21 GLN 9 2HE2 GLN 9 15.477 2.657 -13.878 97 HE22 GLN 9 1HE2 GLN 9 14.360 3.117 -12.644 98 H LYS 10 H LYS 10 9.221 6.355 -14.066 99 HA LYS 10 HA LYS 10 9.441 7.071 -16.906 100 HB2 LYS 10 2HB LYS 10 8.169 4.940 -15.615 101 HB3 LYS 10 3HB LYS 10 6.864 6.010 -16.111 102 HG2 LYS 10 2HG LYS 10 9.003 4.915 -17.927 103 HG3 LYS 10 3HG LYS 10 7.354 4.300 -17.791 104 HD2 LYS 10 2HD LYS 10 6.525 5.934 -19.081 105 HD3 LYS 10 3HD LYS 10 7.482 7.177 -18.272 106 HE2 LYS 10 2HE LYS 10 8.542 5.265 -20.350 107 HE3 LYS 10 3HE LYS 10 8.025 6.918 -20.678 108 HZ1 LYS 10 3HZ LYS 10 10.068 6.392 -18.623 109 HZ2 LYS 10 1HZ LYS 10 9.805 7.794 -19.533 110 HZ3 LYS 10 2HZ LYS 10 10.506 6.435 -20.257 111 H VAL 11 H VAL 11 7.666 7.785 -13.949 112 HA VAL 11 HA VAL 11 5.866 9.647 -15.132 113 HB VAL 11 HB VAL 11 6.710 9.294 -12.254 114 HG11 VAL 11 1HG1 VAL 11 4.680 10.601 -11.716 115 HG12 VAL 11 2HG1 VAL 11 5.902 11.547 -12.569 116 HG13 VAL 11 3HG1 VAL 11 4.484 10.952 -13.433 117 HG21 VAL 11 3HG2 VAL 11 4.862 7.900 -13.995 118 HG22 VAL 11 1HG2 VAL 11 5.440 7.469 -12.385 119 HG23 VAL 11 2HG2 VAL 11 4.057 8.549 -12.566 120 H ILE 12 H ILE 12 9.125 9.829 -14.003 121 HA ILE 12 HA ILE 12 9.296 12.580 -13.442 122 HB ILE 12 HB ILE 12 11.047 10.981 -12.798 123 HG12 ILE 12 2HG1 ILE 12 12.750 12.639 -14.436 124 HG13 ILE 12 3HG1 ILE 12 11.393 13.580 -13.824 125 HG21 ILE 12 1HG2 ILE 12 10.899 9.735 -15.015 126 HG22 ILE 12 2HG2 ILE 12 11.971 10.981 -15.655 127 HG23 ILE 12 3HG2 ILE 12 12.507 9.955 -14.324 128 HD11 ILE 12 3HD1 ILE 12 13.689 12.424 -12.408 129 HD12 ILE 12 1HD1 ILE 12 12.748 13.876 -12.064 130 HD13 ILE 12 2HD1 ILE 12 12.136 12.293 -11.581 Start of MODEL 2 1 H1 VAL 1 H VAL 1 0.798 2.299 -0.103 2 HA VAL 1 HA VAL 1 2.058 0.270 -0.499 3 HB VAL 1 HB VAL 1 2.634 -0.407 -2.753 4 HG11 VAL 1 1HG1 VAL 1 0.354 -0.938 -1.654 5 HG12 VAL 1 2HG1 VAL 1 -0.306 0.148 -2.878 6 HG13 VAL 1 3HG1 VAL 1 0.580 -1.297 -3.365 7 HG21 VAL 1 3HG2 VAL 1 0.967 1.149 -4.391 8 HG22 VAL 1 1HG2 VAL 1 1.865 2.285 -3.383 9 HG23 VAL 1 2HG2 VAL 1 2.731 1.111 -4.375 10 H PHE 2 H PHE 2 4.346 0.148 -0.891 11 HA PHE 2 HA PHE 2 5.576 2.810 -1.013 12 HB2 PHE 2 2HB PHE 2 6.350 0.231 0.303 13 HB3 PHE 2 3HB PHE 2 7.592 1.418 -0.083 14 HD1 PHE 2 HD1 PHE 2 4.788 0.593 2.067 15 HD2 PHE 2 HD2 PHE 2 7.583 3.619 0.996 16 HE1 PHE 2 HE1 PHE 2 4.258 1.811 4.139 17 HE2 PHE 2 HE2 PHE 2 7.059 4.841 3.067 18 HZ PHE 2 HZ PHE 2 5.395 3.937 4.641 19 H ARG 3 H ARG 3 4.755 1.306 -3.377 20 HA ARG 3 HA ARG 3 7.374 0.724 -4.588 21 HB2 ARG 3 2HB ARG 3 4.607 -0.283 -5.127 22 HB3 ARG 3 3HB ARG 3 5.793 -0.280 -6.425 23 HG2 ARG 3 2HG ARG 3 6.699 -1.446 -3.880 24 HG3 ARG 3 3HG ARG 3 5.424 -2.329 -4.723 25 HD2 ARG 3 2HD ARG 3 6.787 -2.936 -6.415 26 HD3 ARG 3 3HD ARG 3 7.643 -1.395 -6.413 27 HE ARG 3 HE ARG 3 8.259 -3.010 -4.132 28 HH11 ARG 3 1HH1 ARG 3 9.000 -2.448 -7.487 29 HH12 ARG 3 2HH1 ARG 3 10.598 -3.107 -7.379 30 HH21 ARG 3 2HH2 ARG 3 11.372 -3.922 -5.383 31 HH22 ARG 3 1HH2 ARG 3 10.362 -3.880 -3.978 32 H LEU 4 H LEU 4 7.277 3.262 -4.475 33 HA LEU 4 HA LEU 4 6.077 4.249 -6.977 34 HB2 LEU 4 2HB LEU 4 5.808 6.348 -6.029 35 HB3 LEU 4 3HB LEU 4 5.383 5.244 -4.722 36 HG LEU 4 HG LEU 4 8.051 5.682 -4.273 37 HD11 LEU 4 1HD1 LEU 4 8.743 7.690 -4.952 38 HD12 LEU 4 2HD1 LEU 4 7.210 8.456 -4.539 39 HD13 LEU 4 3HD1 LEU 4 7.396 7.636 -6.090 40 HD21 LEU 4 3HD2 LEU 4 6.358 5.645 -2.565 41 HD22 LEU 4 1HD2 LEU 4 5.648 7.137 -3.179 42 HD23 LEU 4 2HD2 LEU 4 7.253 7.161 -2.449 43 H LYS 5 H LYS 5 8.846 3.039 -6.048 44 HA LYS 5 HA LYS 5 10.570 5.136 -7.153 45 HB2 LYS 5 2HB LYS 5 12.437 3.815 -6.291 46 HB3 LYS 5 3HB LYS 5 11.266 4.144 -5.020 47 HG2 LYS 5 2HG LYS 5 10.845 1.622 -6.458 48 HG3 LYS 5 3HG LYS 5 12.345 1.716 -5.533 49 HD2 LYS 5 2HD LYS 5 9.688 2.473 -4.348 50 HD3 LYS 5 3HD LYS 5 10.281 0.811 -4.331 51 HE2 LYS 5 2HE LYS 5 11.820 3.157 -3.231 52 HE3 LYS 5 3HE LYS 5 10.767 2.133 -2.257 53 HZ1 LYS 5 3HZ LYS 5 12.962 1.322 -2.017 54 HZ2 LYS 5 1HZ LYS 5 13.239 1.334 -3.686 55 HZ3 LYS 5 2HZ LYS 5 12.157 0.220 -3.016 56 H LYS 6 H LYS 6 8.770 2.705 -8.318 57 HA LYS 6 HA LYS 6 10.755 1.864 -10.319 58 HB2 LYS 6 2HB LYS 6 9.488 0.128 -8.949 59 HB3 LYS 6 3HB LYS 6 8.053 0.611 -9.844 60 HG2 LYS 6 2HG LYS 6 10.399 -0.052 -11.488 61 HG3 LYS 6 3HG LYS 6 9.697 -1.392 -10.578 62 HD2 LYS 6 2HD LYS 6 7.952 0.441 -12.181 63 HD3 LYS 6 3HD LYS 6 8.816 -0.886 -12.962 64 HE2 LYS 6 2HE LYS 6 7.625 -1.959 -10.652 65 HE3 LYS 6 3HE LYS 6 6.400 -0.948 -11.417 66 HZ1 LYS 6 3HZ LYS 6 7.780 -3.317 -12.499 67 HZ2 LYS 6 1HZ LYS 6 7.113 -2.168 -13.547 68 HZ3 LYS 6 2HZ LYS 6 6.123 -2.982 -12.444 69 H TRP 7 H TRP 7 7.799 3.593 -9.845 70 HA TRP 7 HA TRP 7 7.357 3.787 -12.738 71 HB2 TRP 7 2HB TRP 7 5.150 4.354 -12.301 72 HB3 TRP 7 3HB TRP 7 5.506 3.264 -10.964 73 HD1 TRP 7 HD1 TRP 7 6.919 5.178 -8.947 74 HE1 TRP 7 HE1 TRP 7 5.618 7.090 -7.818 75 HE3 TRP 7 HE3 TRP 7 3.090 5.648 -12.302 76 HZ2 TRP 7 HZ2 TRP 7 3.279 8.598 -8.286 77 HZ3 TRP 7 HZ3 TRP 7 1.361 7.349 -11.888 78 HH2 TRP 7 HH2 TRP 7 1.455 8.792 -9.921 79 H ILE 8 H ILE 8 8.614 5.524 -10.078 80 HA ILE 8 HA ILE 8 8.121 8.172 -10.864 81 HB ILE 8 HB ILE 8 8.943 7.790 -8.662 82 HG12 ILE 8 2HG1 ILE 8 9.885 9.759 -10.222 83 HG13 ILE 8 3HG1 ILE 8 10.342 9.589 -8.531 84 HG21 ILE 8 1HG2 ILE 8 10.141 5.736 -8.985 85 HG22 ILE 8 2HG2 ILE 8 11.352 6.547 -9.976 86 HG23 ILE 8 3HG2 ILE 8 11.232 6.913 -8.255 87 HD11 ILE 8 3HD1 ILE 8 12.411 8.590 -9.107 88 HD12 ILE 8 1HD1 ILE 8 11.931 8.418 -10.795 89 HD13 ILE 8 2HD1 ILE 8 12.223 10.022 -10.119 90 H GLN 9 H GLN 9 10.722 5.930 -11.705 91 HA GLN 9 HA GLN 9 12.397 7.684 -13.068 92 HB2 GLN 9 2HB GLN 9 12.029 4.799 -12.898 93 HB3 GLN 9 3HB GLN 9 12.584 5.308 -14.487 94 HG2 GLN 9 2HG GLN 9 14.301 6.706 -13.062 95 HG3 GLN 9 3HG GLN 9 13.947 5.470 -11.855 96 HE21 GLN 9 2HE2 GLN 9 15.621 2.891 -13.519 97 HE22 GLN 9 1HE2 GLN 9 14.463 3.307 -12.307 98 H LYS 10 H LYS 10 9.298 6.494 -13.922 99 HA LYS 10 HA LYS 10 9.648 7.348 -16.712 100 HB2 LYS 10 2HB LYS 10 8.779 5.128 -16.587 101 HB3 LYS 10 3HB LYS 10 7.587 5.593 -15.380 102 HG2 LYS 10 2HG LYS 10 6.611 5.246 -17.610 103 HG3 LYS 10 3HG LYS 10 6.374 6.889 -17.009 104 HD2 LYS 10 2HD LYS 10 7.003 6.956 -19.345 105 HD3 LYS 10 3HD LYS 10 8.305 7.627 -18.360 106 HE2 LYS 10 2HE LYS 10 8.507 4.742 -18.834 107 HE3 LYS 10 3HE LYS 10 8.615 5.726 -20.293 108 HZ1 LYS 10 3HZ LYS 10 10.791 5.615 -19.585 109 HZ2 LYS 10 1HZ LYS 10 10.390 5.700 -17.943 110 HZ3 LYS 10 2HZ LYS 10 10.291 7.084 -18.910 111 H VAL 11 H VAL 11 7.873 7.969 -13.770 112 HA VAL 11 HA VAL 11 5.979 9.765 -14.948 113 HB VAL 11 HB VAL 11 6.789 9.334 -12.072 114 HG11 VAL 11 1HG1 VAL 11 5.973 11.585 -12.276 115 HG12 VAL 11 2HG1 VAL 11 4.587 11.041 -13.224 116 HG13 VAL 11 3HG1 VAL 11 4.722 10.597 -11.523 117 HG21 VAL 11 3HG2 VAL 11 4.135 8.594 -12.479 118 HG22 VAL 11 1HG2 VAL 11 4.999 7.980 -13.889 119 HG23 VAL 11 2HG2 VAL 11 5.516 7.517 -12.267 120 H ILE 12 H ILE 12 9.204 10.036 -13.718 121 HA ILE 12 HA ILE 12 9.385 12.683 -12.977 122 HB ILE 12 HB ILE 12 11.759 12.577 -13.882 123 HG12 ILE 12 2HG1 ILE 12 11.602 9.663 -14.151 124 HG13 ILE 12 3HG1 ILE 12 10.745 10.528 -15.422 125 HG21 ILE 12 1HG2 ILE 12 11.888 12.065 -11.703 126 HG22 ILE 12 2HG2 ILE 12 10.511 10.967 -11.779 127 HG23 ILE 12 3HG2 ILE 12 12.111 10.410 -12.270 128 HD11 ILE 12 3HD1 ILE 12 12.905 11.889 -15.665 129 HD12 ILE 12 1HD1 ILE 12 13.654 10.588 -14.738 130 HD13 ILE 12 2HD1 ILE 12 12.876 10.238 -16.282 Start of MODEL 3 1 H1 VAL 1 H VAL 1 1.652 -0.653 -3.587 2 HA VAL 1 HA VAL 1 0.878 1.297 -2.560 3 HB VAL 1 HB VAL 1 0.084 0.032 -0.597 4 HG11 VAL 1 1HG1 VAL 1 2.627 -0.797 -0.282 5 HG12 VAL 1 2HG1 VAL 1 2.571 0.497 0.917 6 HG13 VAL 1 3HG1 VAL 1 1.419 -0.837 1.002 7 HG21 VAL 1 3HG2 VAL 1 0.209 2.559 -0.689 8 HG22 VAL 1 1HG2 VAL 1 0.105 1.845 0.921 9 HG23 VAL 1 2HG2 VAL 1 1.654 2.432 0.315 10 H PHE 2 H PHE 2 3.896 -0.285 -1.838 11 HA PHE 2 HA PHE 2 5.224 2.336 -1.662 12 HB2 PHE 2 2HB PHE 2 5.433 0.113 0.011 13 HB3 PHE 2 3HB PHE 2 6.902 0.073 -0.959 14 HD1 PHE 2 HD1 PHE 2 5.906 0.954 2.089 15 HD2 PHE 2 HD2 PHE 2 7.649 2.797 -1.328 16 HE1 PHE 2 HE1 PHE 2 6.898 2.683 3.532 17 HE2 PHE 2 HE2 PHE 2 8.644 4.529 0.108 18 HZ PHE 2 HZ PHE 2 8.270 4.473 2.542 19 H ARG 3 H ARG 3 4.393 0.958 -4.119 20 HA ARG 3 HA ARG 3 7.023 0.397 -5.316 21 HB2 ARG 3 2HB ARG 3 4.321 -0.310 -6.463 22 HB3 ARG 3 3HB ARG 3 5.895 -0.870 -7.014 23 HG2 ARG 3 2HG ARG 3 4.602 -1.542 -4.378 24 HG3 ARG 3 3HG ARG 3 4.725 -2.605 -5.782 25 HD2 ARG 3 2HD ARG 3 7.318 -1.592 -5.136 26 HD3 ARG 3 3HD ARG 3 6.580 -2.260 -3.681 27 HE ARG 3 HE ARG 3 6.129 -4.180 -5.524 28 HH11 ARG 3 1HH1 ARG 3 8.988 -2.457 -4.534 29 HH12 ARG 3 2HH1 ARG 3 10.061 -3.770 -4.892 30 HH21 ARG 3 2HH2 ARG 3 9.232 -5.736 -5.725 31 HH22 ARG 3 1HH2 ARG 3 7.532 -5.916 -5.998 32 H LEU 4 H LEU 4 7.069 2.883 -5.177 33 HA LEU 4 HA LEU 4 5.893 3.985 -7.645 34 HB2 LEU 4 2HB LEU 4 5.575 6.047 -6.630 35 HB3 LEU 4 3HB LEU 4 5.096 4.893 -5.388 36 HG LEU 4 HG LEU 4 7.745 5.324 -4.811 37 HD11 LEU 4 1HD1 LEU 4 6.877 8.099 -4.994 38 HD12 LEU 4 2HD1 LEU 4 7.154 7.348 -6.565 39 HD13 LEU 4 3HD1 LEU 4 8.441 7.371 -5.360 40 HD21 LEU 4 3HD2 LEU 4 6.120 5.205 -3.110 41 HD22 LEU 4 1HD2 LEU 4 5.219 6.572 -3.764 42 HD23 LEU 4 2HD2 LEU 4 6.791 6.834 -3.008 43 H LYS 5 H LYS 5 8.623 2.745 -6.662 44 HA LYS 5 HA LYS 5 10.386 4.893 -7.597 45 HB2 LYS 5 2HB LYS 5 12.221 3.466 -6.760 46 HB3 LYS 5 3HB LYS 5 11.049 3.855 -5.508 47 HG2 LYS 5 2HG LYS 5 10.088 1.673 -5.629 48 HG3 LYS 5 3HG LYS 5 11.050 1.274 -7.054 49 HD2 LYS 5 2HD LYS 5 12.175 0.226 -5.290 50 HD3 LYS 5 3HD LYS 5 13.090 1.711 -5.563 51 HE2 LYS 5 2HE LYS 5 11.920 2.782 -3.710 52 HE3 LYS 5 3HE LYS 5 10.968 1.320 -3.453 53 HZ1 LYS 5 3HZ LYS 5 12.775 0.186 -2.621 54 HZ2 LYS 5 1HZ LYS 5 13.052 1.742 -2.018 55 HZ3 LYS 5 2HZ LYS 5 13.909 1.194 -3.369 56 H LYS 6 H LYS 6 8.637 2.527 -8.952 57 HA LYS 6 HA LYS 6 10.703 1.782 -10.908 58 HB2 LYS 6 2HB LYS 6 8.026 0.504 -10.323 59 HB3 LYS 6 3HB LYS 6 9.144 -0.030 -11.571 60 HG2 LYS 6 2HG LYS 6 9.881 -1.443 -10.007 61 HG3 LYS 6 3HG LYS 6 10.749 -0.040 -9.379 62 HD2 LYS 6 2HD LYS 6 9.675 -0.489 -7.460 63 HD3 LYS 6 3HD LYS 6 8.285 0.267 -8.242 64 HE2 LYS 6 2HE LYS 6 8.904 -2.676 -8.419 65 HE3 LYS 6 3HE LYS 6 7.847 -1.976 -7.193 66 HZ1 LYS 6 3HZ LYS 6 7.315 -2.538 -9.954 67 HZ2 LYS 6 1HZ LYS 6 6.887 -0.960 -9.521 68 HZ3 LYS 6 2HZ LYS 6 6.235 -2.274 -8.679 69 H TRP 7 H TRP 7 7.722 3.478 -10.469 70 HA TRP 7 HA TRP 7 7.392 3.810 -13.364 71 HB2 TRP 7 2HB TRP 7 5.168 4.345 -12.988 72 HB3 TRP 7 3HB TRP 7 5.477 3.201 -11.685 73 HD1 TRP 7 HD1 TRP 7 6.803 5.035 -9.538 74 HE1 TRP 7 HE1 TRP 7 5.449 6.893 -8.380 75 HE3 TRP 7 HE3 TRP 7 3.100 5.627 -13.013 76 HZ2 TRP 7 HZ2 TRP 7 3.120 8.409 -8.875 77 HZ3 TRP 7 HZ3 TRP 7 1.347 7.302 -12.595 78 HH2 TRP 7 HH2 TRP 7 1.358 8.663 -10.568 79 H ILE 8 H ILE 8 8.544 5.419 -10.581 80 HA ILE 8 HA ILE 8 8.071 8.102 -11.265 81 HB ILE 8 HB ILE 8 8.793 7.617 -9.047 82 HG12 ILE 8 2HG1 ILE 8 9.773 9.670 -10.452 83 HG13 ILE 8 3HG1 ILE 8 10.190 9.405 -8.763 84 HG21 ILE 8 1HG2 ILE 8 10.020 5.588 -9.406 85 HG22 ILE 8 2HG2 ILE 8 11.265 6.448 -10.311 86 HG23 ILE 8 3HG2 ILE 8 11.073 6.738 -8.582 87 HD11 ILE 8 3HD1 ILE 8 12.060 9.918 -10.449 88 HD12 ILE 8 1HD1 ILE 8 12.304 8.624 -9.277 89 HD13 ILE 8 2HD1 ILE 8 11.865 8.236 -10.941 90 H GLN 9 H GLN 9 10.709 5.899 -12.092 91 HA GLN 9 HA GLN 9 12.442 7.715 -13.295 92 HB2 GLN 9 2HB GLN 9 12.023 4.805 -13.371 93 HB3 GLN 9 3HB GLN 9 12.793 5.466 -14.808 94 HG2 GLN 9 2HG GLN 9 14.326 4.662 -12.974 95 HG3 GLN 9 3HG GLN 9 14.617 6.290 -13.586 96 HE21 GLN 9 2HE2 GLN 9 13.343 5.687 -9.763 97 HE22 GLN 9 1HE2 GLN 9 13.245 4.434 -10.948 98 H LYS 10 H LYS 10 9.388 6.564 -14.341 99 HA LYS 10 HA LYS 10 9.862 7.526 -17.076 100 HB2 LYS 10 2HB LYS 10 8.525 5.268 -16.098 101 HB3 LYS 10 3HB LYS 10 7.251 6.354 -16.639 102 HG2 LYS 10 2HG LYS 10 9.592 5.449 -18.303 103 HG3 LYS 10 3HG LYS 10 7.954 4.799 -18.392 104 HD2 LYS 10 2HD LYS 10 7.222 6.522 -19.623 105 HD3 LYS 10 3HD LYS 10 8.063 7.708 -18.622 106 HE2 LYS 10 2HE LYS 10 9.307 6.013 -20.787 107 HE3 LYS 10 3HE LYS 10 8.896 7.722 -20.922 108 HZ1 LYS 10 3HZ LYS 10 11.134 7.755 -20.410 109 HZ2 LYS 10 1HZ LYS 10 11.030 6.454 -19.333 110 HZ3 LYS 10 2HZ LYS 10 10.426 7.970 -18.889 111 H VAL 11 H VAL 11 7.817 7.961 -14.246 112 HA VAL 11 HA VAL 11 6.077 9.878 -15.438 113 HB VAL 11 HB VAL 11 6.662 9.301 -12.531 114 HG11 VAL 11 1HG1 VAL 11 4.555 10.513 -12.083 115 HG12 VAL 11 2HG1 VAL 11 5.819 11.554 -12.740 116 HG13 VAL 11 3HG1 VAL 11 4.504 11.000 -13.777 117 HG21 VAL 11 3HG2 VAL 11 5.447 7.472 -12.909 118 HG22 VAL 11 1HG2 VAL 11 4.066 8.535 -13.180 119 HG23 VAL 11 2HG2 VAL 11 5.048 7.998 -14.544 120 H ILE 12 H ILE 12 9.216 10.023 -14.009 121 HA ILE 12 HA ILE 12 9.227 12.752 -13.255 122 HB ILE 12 HB ILE 12 10.900 11.132 -12.442 123 HG12 ILE 12 2HG1 ILE 12 12.741 12.967 -13.739 124 HG13 ILE 12 3HG1 ILE 12 11.295 13.797 -13.174 125 HG21 ILE 12 1HG2 ILE 12 11.109 10.103 -14.809 126 HG22 ILE 12 2HG2 ILE 12 12.330 11.350 -15.059 127 HG23 ILE 12 3HG2 ILE 12 12.533 10.164 -13.770 128 HD11 ILE 12 3HD1 ILE 12 11.853 13.562 -11.019 129 HD12 ILE 12 1HD1 ILE 12 12.486 11.932 -11.250 130 HD13 ILE 12 2HD1 ILE 12 13.478 13.331 -11.664 Start of MODEL 4 1 H1 VAL 1 H VAL 1 5.248 -2.846 -1.079 2 HA VAL 1 HA VAL 1 6.177 -0.522 0.415 3 HB VAL 1 HB VAL 1 7.773 -2.782 -0.802 4 HG11 VAL 1 1HG1 VAL 1 9.080 -0.743 -0.495 5 HG12 VAL 1 2HG1 VAL 1 8.568 -0.661 1.192 6 HG13 VAL 1 3HG1 VAL 1 9.581 -1.996 0.641 7 HG21 VAL 1 3HG2 VAL 1 6.316 -2.498 1.744 8 HG22 VAL 1 1HG2 VAL 1 6.764 -3.948 0.845 9 HG23 VAL 1 2HG2 VAL 1 7.954 -3.141 1.866 10 H PHE 2 H PHE 2 6.544 -1.957 -2.812 11 HA PHE 2 HA PHE 2 7.620 0.617 -3.754 12 HB2 PHE 2 2HB PHE 2 7.890 -2.053 -5.138 13 HB3 PHE 2 3HB PHE 2 8.748 -0.562 -5.510 14 HD1 PHE 2 HD1 PHE 2 10.254 0.389 -3.626 15 HD2 PHE 2 HD2 PHE 2 8.878 -3.636 -3.781 16 HE1 PHE 2 HE1 PHE 2 12.085 -0.291 -2.130 17 HE2 PHE 2 HE2 PHE 2 10.706 -4.322 -2.285 18 HZ PHE 2 HZ PHE 2 12.313 -2.649 -1.457 19 H ARG 3 H ARG 3 5.589 1.573 -4.081 20 HA ARG 3 HA ARG 3 3.979 0.375 -6.238 21 HB2 ARG 3 2HB ARG 3 2.132 1.855 -5.340 22 HB3 ARG 3 3HB ARG 3 2.623 0.526 -4.298 23 HG2 ARG 3 2HG ARG 3 3.981 3.114 -3.868 24 HG3 ARG 3 3HG ARG 3 2.276 3.022 -3.423 25 HD2 ARG 3 2HD ARG 3 2.945 0.843 -2.212 26 HD3 ARG 3 3HD ARG 3 4.594 1.451 -2.356 27 HE ARG 3 HE ARG 3 2.569 2.376 -0.562 28 HH11 ARG 3 1HH1 ARG 3 5.397 3.324 -2.356 29 HH12 ARG 3 2HH1 ARG 3 5.804 4.621 -1.281 30 HH21 ARG 3 2HH2 ARG 3 4.494 5.049 0.548 31 HH22 ARG 3 1HH2 ARG 3 3.094 4.080 0.861 32 H LEU 4 H LEU 4 5.590 3.257 -5.087 33 HA LEU 4 HA LEU 4 4.953 4.594 -7.633 34 HB2 LEU 4 2HB LEU 4 5.624 5.751 -4.935 35 HB3 LEU 4 3HB LEU 4 5.535 6.704 -6.415 36 HG LEU 4 HG LEU 4 3.217 5.138 -5.294 37 HD11 LEU 4 1HD1 LEU 4 4.076 7.978 -4.837 38 HD12 LEU 4 2HD1 LEU 4 3.647 6.750 -3.647 39 HD13 LEU 4 3HD1 LEU 4 2.397 7.464 -4.666 40 HD21 LEU 4 3HD2 LEU 4 3.402 5.849 -7.783 41 HD22 LEU 4 1HD2 LEU 4 3.068 7.466 -7.165 42 HD23 LEU 4 2HD2 LEU 4 1.908 6.164 -6.901 43 H LYS 5 H LYS 5 7.241 2.750 -6.489 44 HA LYS 5 HA LYS 5 9.516 4.449 -7.216 45 HB2 LYS 5 2HB LYS 5 9.509 1.667 -6.031 46 HB3 LYS 5 3HB LYS 5 10.916 2.699 -6.254 47 HG2 LYS 5 2HG LYS 5 8.588 3.499 -4.535 48 HG3 LYS 5 3HG LYS 5 9.955 2.567 -3.919 49 HD2 LYS 5 2HD LYS 5 11.028 4.487 -3.584 50 HD3 LYS 5 3HD LYS 5 11.074 4.710 -5.334 51 HE2 LYS 5 2HE LYS 5 8.869 5.818 -5.212 52 HE3 LYS 5 3HE LYS 5 8.908 5.655 -3.457 53 HZ1 LYS 5 3HZ LYS 5 9.805 7.697 -3.585 54 HZ2 LYS 5 1HZ LYS 5 10.340 7.501 -5.178 55 HZ3 LYS 5 2HZ LYS 5 11.240 6.858 -3.899 56 H LYS 6 H LYS 6 7.388 2.552 -8.770 57 HA LYS 6 HA LYS 6 9.380 1.400 -10.600 58 HB2 LYS 6 2HB LYS 6 7.638 -0.103 -9.548 59 HB3 LYS 6 3HB LYS 6 6.431 0.765 -10.488 60 HG2 LYS 6 2HG LYS 6 8.674 -0.217 -12.078 61 HG3 LYS 6 3HG LYS 6 7.741 -1.489 -11.287 62 HD2 LYS 6 2HD LYS 6 6.321 0.701 -12.743 63 HD3 LYS 6 3HD LYS 6 7.043 -0.629 -13.653 64 HE2 LYS 6 2HE LYS 6 5.760 -2.224 -12.277 65 HE3 LYS 6 3HE LYS 6 5.003 -0.869 -11.443 66 HZ1 LYS 6 3HZ LYS 6 4.266 -2.058 -13.882 67 HZ2 LYS 6 1HZ LYS 6 4.685 -0.445 -14.174 68 HZ3 LYS 6 2HZ LYS 6 3.489 -0.816 -13.037 69 H TRP 7 H TRP 7 6.830 3.719 -10.319 70 HA TRP 7 HA TRP 7 6.816 4.171 -13.216 71 HB2 TRP 7 2HB TRP 7 4.747 5.197 -12.985 72 HB3 TRP 7 3HB TRP 7 4.681 3.971 -11.722 73 HD1 TRP 7 HD1 TRP 7 6.217 5.398 -9.401 74 HE1 TRP 7 HE1 TRP 7 5.214 7.471 -8.251 75 HE3 TRP 7 HE3 TRP 7 3.004 6.897 -13.085 76 HZ2 TRP 7 HZ2 TRP 7 3.313 9.476 -8.828 77 HZ3 TRP 7 HZ3 TRP 7 1.629 8.902 -12.707 78 HH2 TRP 7 HH2 TRP 7 1.781 10.163 -10.622 79 H ILE 8 H ILE 8 8.079 5.419 -10.304 80 HA ILE 8 HA ILE 8 8.265 8.155 -10.912 81 HB ILE 8 HB ILE 8 8.696 7.468 -8.671 82 HG12 ILE 8 2HG1 ILE 8 10.209 9.282 -9.926 83 HG13 ILE 8 3HG1 ILE 8 10.427 8.893 -8.223 84 HG21 ILE 8 1HG2 ILE 8 9.467 5.225 -9.027 85 HG22 ILE 8 2HG2 ILE 8 10.935 5.806 -9.812 86 HG23 ILE 8 3HG2 ILE 8 10.684 6.091 -8.090 87 HD11 ILE 8 3HD1 ILE 8 11.961 7.429 -10.328 88 HD12 ILE 8 1HD1 ILE 8 12.487 9.012 -9.754 89 HD13 ILE 8 2HD1 ILE 8 12.347 7.665 -8.624 90 H GLN 9 H GLN 9 10.403 5.437 -11.647 91 HA GLN 9 HA GLN 9 12.578 6.849 -12.660 92 HB2 GLN 9 2HB GLN 9 11.581 4.113 -12.772 93 HB3 GLN 9 3HB GLN 9 12.436 4.575 -14.238 94 HG2 GLN 9 2HG GLN 9 14.210 5.473 -12.511 95 HG3 GLN 9 3HG GLN 9 13.446 4.279 -11.463 96 HE21 GLN 9 2HE2 GLN 9 14.709 1.490 -13.165 97 HE22 GLN 9 1HE2 GLN 9 13.500 2.079 -12.081 98 H LYS 10 H LYS 10 9.430 6.442 -13.945 99 HA LYS 10 HA LYS 10 10.308 7.337 -16.604 100 HB2 LYS 10 2HB LYS 10 7.929 5.830 -15.610 101 HB3 LYS 10 3HB LYS 10 7.752 6.816 -17.055 102 HG2 LYS 10 2HG LYS 10 8.279 4.451 -17.530 103 HG3 LYS 10 3HG LYS 10 9.472 5.578 -18.181 104 HD2 LYS 10 2HD LYS 10 10.924 5.133 -16.248 105 HD3 LYS 10 3HD LYS 10 9.736 3.982 -15.632 106 HE2 LYS 10 2HE LYS 10 10.590 2.376 -16.905 107 HE3 LYS 10 3HE LYS 10 10.323 3.347 -18.352 108 HZ1 LYS 10 3HZ LYS 10 12.480 4.525 -17.590 109 HZ2 LYS 10 1HZ LYS 10 12.585 3.034 -18.383 110 HZ3 LYS 10 2HZ LYS 10 12.745 3.111 -16.701 111 H VAL 11 H VAL 11 8.256 8.151 -13.876 112 HA VAL 11 HA VAL 11 7.044 10.426 -15.119 113 HB VAL 11 HB VAL 11 7.238 9.654 -12.205 114 HG11 VAL 11 1HG1 VAL 11 5.388 11.267 -11.883 115 HG12 VAL 11 2HG1 VAL 11 6.898 12.035 -12.376 116 HG13 VAL 11 3HG1 VAL 11 5.602 11.800 -13.550 117 HG21 VAL 11 3HG2 VAL 11 5.695 8.141 -12.735 118 HG22 VAL 11 1HG2 VAL 11 4.606 9.474 -13.121 119 HG23 VAL 11 2HG2 VAL 11 5.592 8.745 -14.389 120 H ILE 12 H ILE 12 10.021 9.829 -13.499 121 HA ILE 12 HA ILE 12 10.557 12.456 -12.579 122 HB ILE 12 HB ILE 12 11.770 10.442 -11.782 123 HG12 ILE 12 2HG1 ILE 12 13.878 12.214 -12.925 124 HG13 ILE 12 3HG1 ILE 12 12.657 12.951 -11.894 125 HG21 ILE 12 1HG2 ILE 12 12.044 9.763 -14.363 126 HG22 ILE 12 2HG2 ILE 12 13.618 10.505 -14.081 127 HG23 ILE 12 3HG2 ILE 12 13.091 9.150 -13.083 128 HD11 ILE 12 3HD1 ILE 12 13.981 12.392 -10.203 129 HD12 ILE 12 1HD1 ILE 12 13.420 10.740 -10.460 130 HD13 ILE 12 2HD1 ILE 12 14.926 11.284 -11.199 Start of MODEL 5 1 H1 VAL 1 H VAL 1 3.544 -1.828 1.333 2 HA VAL 1 HA VAL 1 3.299 -1.447 -0.974 3 HB VAL 1 HB VAL 1 1.152 -0.245 -1.312 4 HG11 VAL 1 1HG1 VAL 1 1.351 -2.651 -0.549 5 HG12 VAL 1 2HG1 VAL 1 0.973 -2.069 1.074 6 HG13 VAL 1 3HG1 VAL 1 -0.193 -1.859 -0.234 7 HG21 VAL 1 3HG2 VAL 1 1.824 1.240 0.832 8 HG22 VAL 1 1HG2 VAL 1 0.171 1.066 0.244 9 HG23 VAL 1 2HG2 VAL 1 0.736 0.078 1.591 10 H PHE 2 H PHE 2 5.333 0.323 0.042 11 HA PHE 2 HA PHE 2 4.761 2.868 -1.280 12 HB2 PHE 2 2HB PHE 2 7.213 2.072 0.301 13 HB3 PHE 2 3HB PHE 2 6.774 3.696 -0.217 14 HD1 PHE 2 HD1 PHE 2 7.105 1.944 2.587 15 HD2 PHE 2 HD2 PHE 2 4.028 4.002 0.487 16 HE1 PHE 2 HE1 PHE 2 5.894 2.284 4.702 17 HE2 PHE 2 HE2 PHE 2 2.813 4.347 2.598 18 HZ PHE 2 HZ PHE 2 3.746 3.489 4.709 19 H ARG 3 H ARG 3 4.741 1.610 -3.357 20 HA ARG 3 HA ARG 3 7.468 1.162 -4.371 21 HB2 ARG 3 2HB ARG 3 4.800 0.072 -5.261 22 HB3 ARG 3 3HB ARG 3 6.259 -0.077 -6.232 23 HG2 ARG 3 2HG ARG 3 6.462 -0.979 -3.431 24 HG3 ARG 3 3HG ARG 3 5.437 -1.941 -4.498 25 HD2 ARG 3 2HD ARG 3 8.197 -1.132 -5.334 26 HD3 ARG 3 3HD ARG 3 7.944 -2.535 -4.297 27 HE ARG 3 HE ARG 3 6.249 -2.997 -6.338 28 HH11 ARG 3 1HH1 ARG 3 9.622 -2.147 -6.217 29 HH12 ARG 3 2HH1 ARG 3 10.018 -2.976 -7.686 30 HH21 ARG 3 2HH2 ARG 3 8.388 -4.083 -8.855 31 HH22 ARG 3 1HH2 ARG 3 6.757 -4.093 -8.273 32 H LEU 4 H LEU 4 7.438 3.615 -4.446 33 HA LEU 4 HA LEU 4 6.191 4.540 -6.950 34 HB2 LEU 4 2HB LEU 4 7.023 6.114 -4.519 35 HB3 LEU 4 3HB LEU 4 6.409 6.820 -6.012 36 HG LEU 4 HG LEU 4 4.901 5.091 -4.057 37 HD11 LEU 4 1HD1 LEU 4 5.182 7.416 -3.377 38 HD12 LEU 4 2HD1 LEU 4 3.504 7.074 -3.798 39 HD13 LEU 4 3HD1 LEU 4 4.534 7.955 -4.926 40 HD21 LEU 4 3HD2 LEU 4 3.653 4.441 -5.783 41 HD22 LEU 4 1HD2 LEU 4 4.472 5.549 -6.885 42 HD23 LEU 4 2HD2 LEU 4 3.115 6.116 -5.912 43 H LYS 5 H LYS 5 8.951 3.303 -6.063 44 HA LYS 5 HA LYS 5 10.698 5.339 -7.243 45 HB2 LYS 5 2HB LYS 5 12.549 3.915 -6.443 46 HB3 LYS 5 3HB LYS 5 11.470 4.399 -5.142 47 HG2 LYS 5 2HG LYS 5 11.019 2.290 -4.625 48 HG3 LYS 5 3HG LYS 5 10.645 1.888 -6.302 49 HD2 LYS 5 2HD LYS 5 13.503 2.251 -5.629 50 HD3 LYS 5 3HD LYS 5 12.709 0.823 -4.962 51 HE2 LYS 5 2HE LYS 5 12.892 -0.195 -6.926 52 HE3 LYS 5 3HE LYS 5 11.920 1.071 -7.675 53 HZ1 LYS 5 3HZ LYS 5 14.096 2.370 -7.761 54 HZ2 LYS 5 1HZ LYS 5 13.905 1.093 -8.855 55 HZ3 LYS 5 2HZ LYS 5 14.860 0.888 -7.474 56 H LYS 6 H LYS 6 8.803 2.955 -8.342 57 HA LYS 6 HA LYS 6 10.715 2.040 -10.382 58 HB2 LYS 6 2HB LYS 6 9.421 0.361 -8.946 59 HB3 LYS 6 3HB LYS 6 7.996 0.854 -9.852 60 HG2 LYS 6 2HG LYS 6 10.348 0.087 -11.455 61 HG3 LYS 6 3HG LYS 6 9.562 -1.206 -10.547 62 HD2 LYS 6 2HD LYS 6 7.902 0.676 -12.168 63 HD3 LYS 6 3HD LYS 6 8.775 -0.629 -12.975 64 HE2 LYS 6 2HE LYS 6 7.702 -2.193 -11.293 65 HE3 LYS 6 3HE LYS 6 6.661 -0.843 -10.844 66 HZ1 LYS 6 3HZ LYS 6 5.908 -2.535 -12.647 67 HZ2 LYS 6 1HZ LYS 6 6.877 -1.602 -13.673 68 HZ3 LYS 6 2HZ LYS 6 5.585 -0.886 -12.850 69 H TRP 7 H TRP 7 7.810 3.839 -9.848 70 HA TRP 7 HA TRP 7 7.301 4.020 -12.730 71 HB2 TRP 7 2HB TRP 7 5.117 4.635 -12.245 72 HB3 TRP 7 3HB TRP 7 5.482 3.546 -10.910 73 HD1 TRP 7 HD1 TRP 7 6.989 5.452 -8.947 74 HE1 TRP 7 HE1 TRP 7 5.751 7.393 -7.797 75 HE3 TRP 7 HE3 TRP 7 3.073 5.956 -12.195 76 HZ2 TRP 7 HZ2 TRP 7 3.422 8.934 -8.211 77 HZ3 TRP 7 HZ3 TRP 7 1.383 7.687 -11.745 78 HH2 TRP 7 HH2 TRP 7 1.556 9.144 -9.794 79 H ILE 8 H ILE 8 8.666 5.746 -10.121 80 HA ILE 8 HA ILE 8 8.203 8.400 -10.914 81 HB ILE 8 HB ILE 8 9.067 8.013 -8.727 82 HG12 ILE 8 2HG1 ILE 8 9.991 9.966 -10.305 83 HG13 ILE 8 3HG1 ILE 8 10.514 9.781 -8.635 84 HG21 ILE 8 1HG2 ILE 8 10.224 5.940 -9.059 85 HG22 ILE 8 2HG2 ILE 8 11.421 6.720 -10.092 86 HG23 ILE 8 3HG2 ILE 8 11.355 7.105 -8.373 87 HD11 ILE 8 3HD1 ILE 8 12.014 8.459 -10.855 88 HD12 ILE 8 1HD1 ILE 8 12.279 10.158 -10.464 89 HD13 ILE 8 2HD1 ILE 8 12.572 8.917 -9.246 90 H GLN 9 H GLN 9 10.731 6.094 -11.801 91 HA GLN 9 HA GLN 9 12.410 7.807 -13.216 92 HB2 GLN 9 2HB GLN 9 11.996 4.930 -13.007 93 HB3 GLN 9 3HB GLN 9 12.528 5.415 -14.612 94 HG2 GLN 9 2HG GLN 9 14.293 6.799 -13.226 95 HG3 GLN 9 3HG GLN 9 13.947 5.569 -12.011 96 HE21 GLN 9 2HE2 GLN 9 15.532 2.958 -13.721 97 HE22 GLN 9 1HE2 GLN 9 14.393 3.387 -12.495 98 H LYS 10 H LYS 10 9.269 6.682 -13.979 99 HA LYS 10 HA LYS 10 9.571 7.479 -16.791 100 HB2 LYS 10 2HB LYS 10 7.707 5.644 -15.351 101 HB3 LYS 10 3HB LYS 10 7.138 6.438 -16.813 102 HG2 LYS 10 2HG LYS 10 8.064 4.184 -17.209 103 HG3 LYS 10 3HG LYS 10 8.902 5.453 -18.106 104 HD2 LYS 10 2HD LYS 10 10.665 5.477 -16.393 105 HD3 LYS 10 3HD LYS 10 9.832 4.182 -15.530 106 HE2 LYS 10 2HE LYS 10 10.860 2.675 -16.794 107 HE3 LYS 10 3HE LYS 10 10.132 3.381 -18.236 108 HZ1 LYS 10 3HZ LYS 10 12.494 3.384 -18.480 109 HZ2 LYS 10 1HZ LYS 10 12.712 4.153 -16.988 110 HZ3 LYS 10 2HZ LYS 10 11.992 4.986 -18.272 111 H VAL 11 H VAL 11 7.789 8.132 -13.840 112 HA VAL 11 HA VAL 11 5.983 10.010 -15.025 113 HB VAL 11 HB VAL 11 6.725 9.562 -12.132 114 HG11 VAL 11 1HG1 VAL 11 4.648 10.812 -11.634 115 HG12 VAL 11 2HG1 VAL 11 5.885 11.807 -12.405 116 HG13 VAL 11 3HG1 VAL 11 4.515 11.216 -13.346 117 HG21 VAL 11 3HG2 VAL 11 5.472 7.733 -12.332 118 HG22 VAL 11 1HG2 VAL 11 4.088 8.791 -12.614 119 HG23 VAL 11 2HG2 VAL 11 5.010 8.160 -13.980 120 H ILE 12 H ILE 12 9.211 10.146 -13.836 121 HA ILE 12 HA ILE 12 9.465 12.778 -13.013 122 HB ILE 12 HB ILE 12 11.266 11.084 -12.862 123 HG12 ILE 12 2HG1 ILE 12 12.342 13.435 -14.394 124 HG13 ILE 12 3HG1 ILE 12 11.577 13.665 -12.825 125 HG21 ILE 12 1HG2 ILE 12 12.363 10.210 -14.644 126 HG22 ILE 12 2HG2 ILE 12 10.826 10.549 -15.437 127 HG23 ILE 12 3HG2 ILE 12 12.176 11.669 -15.616 128 HD11 ILE 12 3HD1 ILE 12 13.744 11.644 -13.101 129 HD12 ILE 12 1HD1 ILE 12 14.156 13.356 -13.019 130 HD13 ILE 12 2HD1 ILE 12 13.263 12.600 -11.699 Start of MODEL 6 1 H1 VAL 1 H VAL 1 2.444 -2.311 -2.327 2 HA VAL 1 HA VAL 1 1.538 -0.131 -2.734 3 HB VAL 1 HB VAL 1 0.759 -1.065 -0.613 4 HG11 VAL 1 1HG1 VAL 1 1.855 -0.879 1.404 5 HG12 VAL 1 2HG1 VAL 1 3.211 -1.078 0.292 6 HG13 VAL 1 3HG1 VAL 1 2.787 0.527 0.890 7 HG21 VAL 1 3HG2 VAL 1 -0.355 0.820 -0.177 8 HG22 VAL 1 1HG2 VAL 1 1.113 1.666 0.311 9 HG23 VAL 1 2HG2 VAL 1 0.667 1.584 -1.393 10 H PHE 2 H PHE 2 4.613 -0.161 -1.039 11 HA PHE 2 HA PHE 2 4.909 2.724 -1.408 12 HB2 PHE 2 2HB PHE 2 6.620 0.711 0.065 13 HB3 PHE 2 3HB PHE 2 6.985 2.429 -0.052 14 HD1 PHE 2 HD1 PHE 2 5.734 0.056 2.063 15 HD2 PHE 2 HD2 PHE 2 4.766 3.917 0.556 16 HE1 PHE 2 HE1 PHE 2 4.346 0.480 4.050 17 HE2 PHE 2 HE2 PHE 2 3.377 4.348 2.540 18 HZ PHE 2 HZ PHE 2 3.166 2.628 4.291 19 H ARG 3 H ARG 3 4.967 0.769 -3.634 20 HA ARG 3 HA ARG 3 7.747 0.897 -4.518 21 HB2 ARG 3 2HB ARG 3 6.104 -1.136 -4.758 22 HB3 ARG 3 3HB ARG 3 5.534 -0.257 -6.170 23 HG2 ARG 3 2HG ARG 3 7.122 -1.441 -7.221 24 HG3 ARG 3 3HG ARG 3 8.190 -0.179 -6.603 25 HD2 ARG 3 2HD ARG 3 9.247 -1.602 -5.247 26 HD3 ARG 3 3HD ARG 3 7.733 -2.291 -4.664 27 HE ARG 3 HE ARG 3 8.079 -4.051 -6.065 28 HH11 ARG 3 1HH1 ARG 3 9.880 -1.322 -7.262 29 HH12 ARG 3 2HH1 ARG 3 10.621 -2.211 -8.551 30 HH21 ARG 3 2HH2 ARG 3 10.147 -4.435 -8.833 31 HH22 ARG 3 1HH2 ARG 3 9.049 -5.232 -7.758 32 H LEU 4 H LEU 4 7.726 3.233 -4.723 33 HA LEU 4 HA LEU 4 6.387 4.129 -7.190 34 HB2 LEU 4 2HB LEU 4 6.000 6.226 -6.287 35 HB3 LEU 4 3HB LEU 4 5.657 5.137 -4.945 36 HG LEU 4 HG LEU 4 8.301 5.743 -4.548 37 HD11 LEU 4 1HD1 LEU 4 7.931 8.396 -4.614 38 HD12 LEU 4 2HD1 LEU 4 7.015 7.935 -6.048 39 HD13 LEU 4 3HD1 LEU 4 8.717 7.495 -5.910 40 HD21 LEU 4 3HD2 LEU 4 6.877 5.707 -2.715 41 HD22 LEU 4 1HD2 LEU 4 5.737 6.834 -3.451 42 HD23 LEU 4 2HD2 LEU 4 7.293 7.416 -2.856 43 H LYS 5 H LYS 5 9.209 3.072 -6.267 44 HA LYS 5 HA LYS 5 10.828 5.234 -7.407 45 HB2 LYS 5 2HB LYS 5 12.761 3.854 -6.605 46 HB3 LYS 5 3HB LYS 5 11.692 4.422 -5.329 47 HG2 LYS 5 2HG LYS 5 11.047 1.771 -6.423 48 HG3 LYS 5 3HG LYS 5 12.578 1.887 -5.553 49 HD2 LYS 5 2HD LYS 5 10.275 3.188 -4.255 50 HD3 LYS 5 3HD LYS 5 10.191 1.429 -4.368 51 HE2 LYS 5 2HE LYS 5 12.704 2.722 -3.410 52 HE3 LYS 5 3HE LYS 5 11.332 2.581 -2.312 53 HZ1 LYS 5 3HZ LYS 5 11.317 0.179 -2.762 54 HZ2 LYS 5 1HZ LYS 5 12.767 0.692 -2.058 55 HZ3 LYS 5 2HZ LYS 5 12.705 0.353 -3.714 56 H LYS 6 H LYS 6 9.132 2.721 -8.539 57 HA LYS 6 HA LYS 6 11.146 1.948 -10.541 58 HB2 LYS 6 2HB LYS 6 9.681 0.017 -11.009 59 HB3 LYS 6 3HB LYS 6 10.214 0.058 -9.334 60 HG2 LYS 6 2HG LYS 6 8.130 0.191 -8.568 61 HG3 LYS 6 3HG LYS 6 7.691 1.441 -9.734 62 HD2 LYS 6 2HD LYS 6 7.052 -0.108 -11.343 63 HD3 LYS 6 3HD LYS 6 7.998 -1.406 -10.610 64 HE2 LYS 6 2HE LYS 6 6.293 -2.034 -9.317 65 HE3 LYS 6 3HE LYS 6 5.982 -0.378 -8.799 66 HZ1 LYS 6 3HZ LYS 6 4.664 -0.002 -10.736 67 HZ2 LYS 6 1HZ LYS 6 4.110 -1.423 -10.004 68 HZ3 LYS 6 2HZ LYS 6 5.075 -1.506 -11.390 69 H TRP 7 H TRP 7 8.116 3.538 -10.061 70 HA TRP 7 HA TRP 7 7.623 3.657 -12.948 71 HB2 TRP 7 2HB TRP 7 5.404 4.132 -12.486 72 HB3 TRP 7 3HB TRP 7 5.828 3.108 -11.117 73 HD1 TRP 7 HD1 TRP 7 7.168 5.126 -9.174 74 HE1 TRP 7 HE1 TRP 7 5.813 7.032 -8.101 75 HE3 TRP 7 HE3 TRP 7 3.319 5.374 -12.529 76 HZ2 TRP 7 HZ2 TRP 7 3.427 8.453 -8.609 77 HZ3 TRP 7 HZ3 TRP 7 1.541 7.034 -12.163 78 HH2 TRP 7 HH2 TRP 7 1.595 8.541 -10.243 79 H ILE 8 H ILE 8 8.818 5.514 -10.330 80 HA ILE 8 HA ILE 8 8.222 8.116 -11.206 81 HB ILE 8 HB ILE 8 9.027 7.837 -8.981 82 HG12 ILE 8 2HG1 ILE 8 9.892 9.802 -10.574 83 HG13 ILE 8 3HG1 ILE 8 10.367 9.688 -8.883 84 HG21 ILE 8 1HG2 ILE 8 11.352 7.078 -8.522 85 HG22 ILE 8 2HG2 ILE 8 10.314 5.830 -9.210 86 HG23 ILE 8 3HG2 ILE 8 11.499 6.649 -10.227 87 HD11 ILE 8 3HD1 ILE 8 12.491 8.936 -9.400 88 HD12 ILE 8 1HD1 ILE 8 12.019 8.402 -11.013 89 HD13 ILE 8 2HD1 ILE 8 12.169 10.124 -10.663 90 H GLN 9 H GLN 9 10.912 5.947 -11.949 91 HA GLN 9 HA GLN 9 12.540 7.725 -13.342 92 HB2 GLN 9 2HB GLN 9 12.150 4.765 -13.404 93 HB3 GLN 9 3HB GLN 9 13.131 5.511 -14.658 94 HG2 GLN 9 2HG GLN 9 14.802 6.064 -13.224 95 HG3 GLN 9 3HG GLN 9 13.714 6.242 -11.848 96 HE21 GLN 9 2HE2 GLN 9 13.589 2.621 -11.365 97 HE22 GLN 9 1HE2 GLN 9 12.475 3.915 -11.623 98 H LYS 10 H LYS 10 9.501 6.389 -14.196 99 HA LYS 10 HA LYS 10 9.857 7.168 -17.008 100 HB2 LYS 10 2HB LYS 10 9.074 4.920 -16.823 101 HB3 LYS 10 3HB LYS 10 7.848 5.375 -15.647 102 HG2 LYS 10 2HG LYS 10 6.917 4.919 -17.876 103 HG3 LYS 10 3HG LYS 10 6.608 6.570 -17.332 104 HD2 LYS 10 2HD LYS 10 7.267 6.580 -19.663 105 HD3 LYS 10 3HD LYS 10 8.519 7.346 -18.682 106 HE2 LYS 10 2HE LYS 10 8.972 4.504 -18.928 107 HE3 LYS 10 3HE LYS 10 8.843 5.267 -20.513 108 HZ1 LYS 10 3HZ LYS 10 10.774 5.837 -18.351 109 HZ2 LYS 10 1HZ LYS 10 10.472 6.965 -19.575 110 HZ3 LYS 10 2HZ LYS 10 11.082 5.437 -19.966 111 H VAL 11 H VAL 11 7.992 7.789 -14.115 112 HA VAL 11 HA VAL 11 6.065 9.487 -15.382 113 HB VAL 11 HB VAL 11 6.809 9.154 -12.474 114 HG11 VAL 11 1HG1 VAL 11 4.561 10.722 -13.731 115 HG12 VAL 11 2HG1 VAL 11 4.674 10.333 -12.014 116 HG13 VAL 11 3HG1 VAL 11 5.894 11.360 -12.768 117 HG21 VAL 11 3HG2 VAL 11 5.616 7.283 -12.642 118 HG22 VAL 11 1HG2 VAL 11 4.200 8.285 -12.961 119 HG23 VAL 11 2HG2 VAL 11 5.157 7.659 -14.303 120 H ILE 12 H ILE 12 9.248 9.901 -14.098 121 HA ILE 12 HA ILE 12 9.225 12.627 -13.482 122 HB ILE 12 HB ILE 12 11.090 11.092 -12.932 123 HG12 ILE 12 2HG1 ILE 12 12.142 13.377 -14.589 124 HG13 ILE 12 3HG1 ILE 12 11.266 13.653 -13.087 125 HG21 ILE 12 1HG2 ILE 12 12.349 10.033 -14.459 126 HG22 ILE 12 2HG2 ILE 12 10.997 10.355 -15.543 127 HG23 ILE 12 3HG2 ILE 12 12.396 11.429 -15.536 128 HD11 ILE 12 3HD1 ILE 12 12.938 12.313 -11.892 129 HD12 ILE 12 1HD1 ILE 12 13.827 12.105 -13.400 130 HD13 ILE 12 2HD1 ILE 12 13.644 13.714 -12.699 Start of MODEL 7 1 H1 VAL 1 H VAL 1 3.021 -2.697 -1.466 2 HA VAL 1 HA VAL 1 1.799 -0.833 -0.890 3 HB VAL 1 HB VAL 1 3.855 -0.696 1.316 4 HG11 VAL 1 1HG1 VAL 1 2.010 0.173 2.652 5 HG12 VAL 1 2HG1 VAL 1 2.288 1.184 1.233 6 HG13 VAL 1 3HG1 VAL 1 0.934 0.054 1.260 7 HG21 VAL 1 3HG2 VAL 1 2.255 -2.228 2.520 8 HG22 VAL 1 1HG2 VAL 1 1.489 -2.521 0.959 9 HG23 VAL 1 2HG2 VAL 1 3.176 -2.967 1.211 10 H PHE 2 H PHE 2 5.280 -0.226 -0.821 11 HA PHE 2 HA PHE 2 4.737 2.536 -1.695 12 HB2 PHE 2 2HB PHE 2 6.800 1.436 0.179 13 HB3 PHE 2 3HB PHE 2 7.154 2.894 -0.743 14 HD1 PHE 2 HD1 PHE 2 5.895 4.946 -0.357 15 HD2 PHE 2 HD2 PHE 2 5.203 1.446 1.964 16 HE1 PHE 2 HE1 PHE 2 4.692 6.295 1.312 17 HE2 PHE 2 HE2 PHE 2 3.998 2.789 3.636 18 HZ PHE 2 HZ PHE 2 3.740 5.217 3.311 19 H ARG 3 H ARG 3 4.665 1.323 -3.823 20 HA ARG 3 HA ARG 3 7.369 0.850 -4.877 21 HB2 ARG 3 2HB ARG 3 4.658 -0.167 -5.648 22 HB3 ARG 3 3HB ARG 3 5.947 -0.127 -6.844 23 HG2 ARG 3 2HG ARG 3 6.630 -1.351 -4.252 24 HG3 ARG 3 3HG ARG 3 5.459 -2.223 -5.244 25 HD2 ARG 3 2HD ARG 3 7.013 -2.225 -7.112 26 HD3 ARG 3 3HD ARG 3 8.170 -1.284 -6.173 27 HE ARG 3 HE ARG 3 7.692 -4.109 -6.002 28 HH11 ARG 3 1HH1 ARG 3 8.839 -1.298 -4.299 29 HH12 ARG 3 2HH1 ARG 3 9.833 -2.204 -3.207 30 HH21 ARG 3 2HH2 ARG 3 9.924 -4.488 -3.363 31 HH22 ARG 3 1HH2 ARG 3 8.998 -5.313 -4.571 32 H LEU 4 H LEU 4 7.410 3.318 -4.794 33 HA LEU 4 HA LEU 4 6.228 4.421 -7.257 34 HB2 LEU 4 2HB LEU 4 7.051 5.797 -4.706 35 HB3 LEU 4 3HB LEU 4 6.555 6.643 -6.171 36 HG LEU 4 HG LEU 4 4.677 6.663 -4.759 37 HD11 LEU 4 1HD1 LEU 4 3.798 4.278 -6.223 38 HD12 LEU 4 2HD1 LEU 4 4.563 5.519 -7.215 39 HD13 LEU 4 3HD1 LEU 4 3.156 5.920 -6.230 40 HD21 LEU 4 3HD2 LEU 4 5.702 4.698 -3.372 41 HD22 LEU 4 1HD2 LEU 4 4.658 3.703 -4.388 42 HD23 LEU 4 2HD2 LEU 4 3.959 4.970 -3.379 43 H LYS 5 H LYS 5 8.937 3.047 -6.409 44 HA LYS 5 HA LYS 5 10.756 5.087 -7.471 45 HB2 LYS 5 2HB LYS 5 12.560 3.707 -6.642 46 HB3 LYS 5 3HB LYS 5 11.378 3.943 -5.361 47 HG2 LYS 5 2HG LYS 5 10.442 1.715 -5.858 48 HG3 LYS 5 3HG LYS 5 11.709 1.482 -7.066 49 HD2 LYS 5 2HD LYS 5 12.831 0.535 -5.360 50 HD3 LYS 5 3HD LYS 5 13.180 2.203 -4.903 51 HE2 LYS 5 2HE LYS 5 11.532 2.220 -3.251 52 HE3 LYS 5 3HE LYS 5 10.701 0.824 -3.935 53 HZ1 LYS 5 3HZ LYS 5 13.425 0.335 -3.089 54 HZ2 LYS 5 1HZ LYS 5 12.034 -0.600 -2.859 55 HZ3 LYS 5 2HZ LYS 5 12.351 0.708 -1.836 56 H LYS 6 H LYS 6 8.813 2.804 -8.692 57 HA LYS 6 HA LYS 6 10.727 1.918 -10.742 58 HB2 LYS 6 2HB LYS 6 9.350 0.228 -9.392 59 HB3 LYS 6 3HB LYS 6 7.965 0.796 -10.315 60 HG2 LYS 6 2HG LYS 6 10.352 -0.005 -11.861 61 HG3 LYS 6 3HG LYS 6 9.452 -1.289 -11.052 62 HD2 LYS 6 2HD LYS 6 7.980 0.752 -12.661 63 HD3 LYS 6 3HD LYS 6 8.821 -0.562 -13.486 64 HE2 LYS 6 2HE LYS 6 7.576 -2.092 -11.818 65 HE3 LYS 6 3HE LYS 6 6.529 -0.697 -11.559 66 HZ1 LYS 6 3HZ LYS 6 7.077 -1.839 -14.240 67 HZ2 LYS 6 1HZ LYS 6 5.894 -0.703 -13.824 68 HZ3 LYS 6 2HZ LYS 6 5.756 -2.301 -13.289 69 H TRP 7 H TRP 7 7.878 3.791 -10.175 70 HA TRP 7 HA TRP 7 7.408 4.098 -13.053 71 HB2 TRP 7 2HB TRP 7 5.245 4.777 -12.564 72 HB3 TRP 7 3HB TRP 7 5.557 3.634 -11.260 73 HD1 TRP 7 HD1 TRP 7 7.100 5.401 -9.213 74 HE1 TRP 7 HE1 TRP 7 5.933 7.360 -8.019 75 HE3 TRP 7 HE3 TRP 7 3.276 6.200 -12.511 76 HZ2 TRP 7 HZ2 TRP 7 3.689 9.024 -8.421 77 HZ3 TRP 7 HZ3 TRP 7 1.661 7.994 -12.032 78 HH2 TRP 7 HH2 TRP 7 1.865 9.375 -10.029 79 H ILE 8 H ILE 8 8.780 5.690 -10.352 80 HA ILE 8 HA ILE 8 8.441 8.381 -11.069 81 HB ILE 8 HB ILE 8 9.252 7.896 -8.884 82 HG12 ILE 8 2HG1 ILE 8 10.300 9.845 -10.401 83 HG13 ILE 8 3HG1 ILE 8 10.756 9.605 -8.718 84 HG21 ILE 8 1HG2 ILE 8 10.324 5.783 -9.264 85 HG22 ILE 8 2HG2 ILE 8 11.575 6.545 -10.246 86 HG23 ILE 8 3HG2 ILE 8 11.488 6.876 -8.516 87 HD11 ILE 8 3HD1 ILE 8 12.650 9.968 -10.306 88 HD12 ILE 8 1HD1 ILE 8 12.759 8.500 -9.335 89 HD13 ILE 8 2HD1 ILE 8 12.260 8.405 -11.024 90 H GLN 9 H GLN 9 10.899 6.012 -11.989 91 HA GLN 9 HA GLN 9 12.670 7.698 -13.316 92 HB2 GLN 9 2HB GLN 9 12.062 4.817 -13.334 93 HB3 GLN 9 3HB GLN 9 12.812 5.418 -14.807 94 HG2 GLN 9 2HG GLN 9 14.390 4.537 -13.080 95 HG3 GLN 9 3HG GLN 9 14.721 6.176 -13.638 96 HE21 GLN 9 2HE2 GLN 9 13.520 5.483 -9.800 97 HE22 GLN 9 1HE2 GLN 9 13.289 4.296 -11.034 98 H LYS 10 H LYS 10 9.499 6.719 -14.181 99 HA LYS 10 HA LYS 10 9.884 7.637 -16.947 100 HB2 LYS 10 2HB LYS 10 8.887 5.468 -16.882 101 HB3 LYS 10 3HB LYS 10 7.730 5.966 -15.655 102 HG2 LYS 10 2HG LYS 10 6.725 5.744 -17.887 103 HG3 LYS 10 3HG LYS 10 6.588 7.379 -17.237 104 HD2 LYS 10 2HD LYS 10 7.210 7.477 -19.574 105 HD3 LYS 10 3HD LYS 10 8.552 8.044 -18.578 106 HE2 LYS 10 2HE LYS 10 8.531 5.161 -19.204 107 HE3 LYS 10 3HE LYS 10 8.809 6.243 -20.568 108 HZ1 LYS 10 3HZ LYS 10 10.506 7.321 -18.946 109 HZ2 LYS 10 1HZ LYS 10 10.925 5.917 -19.793 110 HZ3 LYS 10 2HZ LYS 10 10.453 5.819 -18.171 111 H VAL 11 H VAL 11 8.173 8.276 -13.972 112 HA VAL 11 HA VAL 11 6.375 10.209 -15.080 113 HB VAL 11 HB VAL 11 7.185 9.654 -12.225 114 HG11 VAL 11 1HG1 VAL 11 6.493 11.949 -12.354 115 HG12 VAL 11 2HG1 VAL 11 5.076 11.514 -13.313 116 HG13 VAL 11 3HG1 VAL 11 5.189 11.011 -11.625 117 HG21 VAL 11 3HG2 VAL 11 5.304 8.451 -14.059 118 HG22 VAL 11 1HG2 VAL 11 5.813 7.917 -12.457 119 HG23 VAL 11 2HG2 VAL 11 4.491 9.072 -12.622 120 H ILE 12 H ILE 12 9.621 10.259 -13.879 121 HA ILE 12 HA ILE 12 9.963 12.868 -13.065 122 HB ILE 12 HB ILE 12 12.317 12.653 -13.993 123 HG12 ILE 12 2HG1 ILE 12 11.414 9.831 -14.595 124 HG13 ILE 12 3HG1 ILE 12 11.643 11.069 -15.825 125 HG21 ILE 12 1HG2 ILE 12 12.532 12.013 -11.870 126 HG22 ILE 12 2HG2 ILE 12 10.995 11.151 -11.896 127 HG23 ILE 12 3HG2 ILE 12 12.461 10.355 -12.464 128 HD11 ILE 12 3HD1 ILE 12 13.587 9.394 -14.486 129 HD12 ILE 12 1HD1 ILE 12 13.723 10.316 -15.983 130 HD13 ILE 12 2HD1 ILE 12 14.017 11.103 -14.431 Start of MODEL 8 1 H1 VAL 1 H VAL 1 2.650 -1.602 -2.435 2 HA VAL 1 HA VAL 1 1.488 0.252 -1.755 3 HB VAL 1 HB VAL 1 2.699 -0.131 0.983 4 HG11 VAL 1 1HG1 VAL 1 0.065 0.978 0.954 5 HG12 VAL 1 2HG1 VAL 1 1.562 1.687 1.560 6 HG13 VAL 1 3HG1 VAL 1 1.101 1.908 -0.128 7 HG21 VAL 1 3HG2 VAL 1 1.575 -2.161 0.510 8 HG22 VAL 1 1HG2 VAL 1 0.471 -1.207 1.501 9 HG23 VAL 1 2HG2 VAL 1 0.219 -1.320 -0.241 10 H PHE 2 H PHE 2 4.827 -0.096 -0.705 11 HA PHE 2 HA PHE 2 5.244 2.780 -1.155 12 HB2 PHE 2 2HB PHE 2 6.849 0.767 0.426 13 HB3 PHE 2 3HB PHE 2 7.397 2.408 0.100 14 HD1 PHE 2 HD1 PHE 2 5.547 4.255 0.703 15 HD2 PHE 2 HD2 PHE 2 5.862 0.388 2.453 16 HE1 PHE 2 HE1 PHE 2 4.330 5.057 2.685 17 HE2 PHE 2 HE2 PHE 2 4.645 1.183 4.438 18 HZ PHE 2 HZ PHE 2 3.876 3.520 4.556 19 H ARG 3 H ARG 3 4.980 1.269 -3.418 20 HA ARG 3 HA ARG 3 7.742 0.918 -4.376 21 HB2 ARG 3 2HB ARG 3 6.025 -1.021 -4.453 22 HB3 ARG 3 3HB ARG 3 5.313 -0.136 -5.795 23 HG2 ARG 3 2HG ARG 3 6.751 -1.722 -6.758 24 HG3 ARG 3 3HG ARG 3 7.600 -0.179 -6.868 25 HD2 ARG 3 2HD ARG 3 9.304 -0.981 -5.690 26 HD3 ARG 3 3HD ARG 3 8.224 -1.451 -4.378 27 HE ARG 3 HE ARG 3 8.159 -3.295 -6.560 28 HH11 ARG 3 1HH1 ARG 3 9.932 -2.354 -3.715 29 HH12 ARG 3 2HH1 ARG 3 10.619 -3.925 -3.465 30 HH21 ARG 3 2HH2 ARG 3 10.122 -5.638 -4.903 31 HH22 ARG 3 1HH2 ARG 3 9.057 -5.367 -6.241 32 H LEU 4 H LEU 4 7.693 3.329 -4.534 33 HA LEU 4 HA LEU 4 6.373 4.201 -7.019 34 HB2 LEU 4 2HB LEU 4 7.149 5.741 -4.555 35 HB3 LEU 4 3HB LEU 4 6.703 6.521 -6.071 36 HG LEU 4 HG LEU 4 4.855 4.626 -4.645 37 HD11 LEU 4 1HD1 LEU 4 5.697 6.764 -3.348 38 HD12 LEU 4 2HD1 LEU 4 4.004 6.272 -3.317 39 HD13 LEU 4 3HD1 LEU 4 4.526 7.568 -4.394 40 HD21 LEU 4 3HD2 LEU 4 3.198 5.471 -6.038 41 HD22 LEU 4 1HD2 LEU 4 4.596 5.353 -7.106 42 HD23 LEU 4 2HD2 LEU 4 4.129 6.916 -6.435 43 H LYS 5 H LYS 5 9.172 3.023 -6.166 44 HA LYS 5 HA LYS 5 10.871 5.070 -7.387 45 HB2 LYS 5 2HB LYS 5 12.743 3.840 -6.546 46 HB3 LYS 5 3HB LYS 5 11.560 3.950 -5.250 47 HG2 LYS 5 2HG LYS 5 10.791 1.621 -6.203 48 HG3 LYS 5 3HG LYS 5 12.445 1.587 -6.820 49 HD2 LYS 5 2HD LYS 5 13.057 0.836 -4.811 50 HD3 LYS 5 3HD LYS 5 12.711 2.454 -4.196 51 HE2 LYS 5 2HE LYS 5 10.406 0.625 -4.489 52 HE3 LYS 5 3HE LYS 5 11.570 0.227 -3.226 53 HZ1 LYS 5 3HZ LYS 5 9.578 2.227 -3.228 54 HZ2 LYS 5 1HZ LYS 5 11.096 2.949 -3.038 55 HZ3 LYS 5 2HZ LYS 5 10.593 1.743 -1.965 56 H LYS 6 H LYS 6 8.960 2.694 -8.471 57 HA LYS 6 HA LYS 6 10.829 1.794 -10.556 58 HB2 LYS 6 2HB LYS 6 9.545 0.107 -9.132 59 HB3 LYS 6 3HB LYS 6 8.103 0.637 -9.988 60 HG2 LYS 6 2HG LYS 6 10.376 -0.110 -11.697 61 HG3 LYS 6 3HG LYS 6 9.657 -1.424 -10.762 62 HD2 LYS 6 2HD LYS 6 7.881 0.448 -12.264 63 HD3 LYS 6 3HD LYS 6 8.736 -0.824 -13.140 64 HE2 LYS 6 2HE LYS 6 7.781 -2.457 -11.485 65 HE3 LYS 6 3HE LYS 6 6.782 -1.142 -10.868 66 HZ1 LYS 6 3HZ LYS 6 6.677 -2.455 -13.509 67 HZ2 LYS 6 1HZ LYS 6 6.043 -0.901 -13.291 68 HZ3 LYS 6 2HZ LYS 6 5.425 -2.199 -12.400 69 H TRP 7 H TRP 7 7.958 3.626 -9.959 70 HA TRP 7 HA TRP 7 7.402 3.844 -12.830 71 HB2 TRP 7 2HB TRP 7 5.235 4.351 -12.308 72 HB3 TRP 7 3HB TRP 7 5.649 3.454 -10.850 73 HD1 TRP 7 HD1 TRP 7 6.840 5.334 -8.898 74 HE1 TRP 7 HE1 TRP 7 5.705 7.502 -8.098 75 HE3 TRP 7 HE3 TRP 7 3.598 6.038 -12.789 76 HZ2 TRP 7 HZ2 TRP 7 3.701 9.274 -8.997 77 HZ3 TRP 7 HZ3 TRP 7 2.106 7.994 -12.741 78 HH2 TRP 7 HH2 TRP 7 2.157 9.577 -10.883 79 H ILE 8 H ILE 8 8.776 5.554 -10.191 80 HA ILE 8 HA ILE 8 8.373 8.209 -10.962 81 HB ILE 8 HB ILE 8 9.286 7.788 -8.804 82 HG12 ILE 8 2HG1 ILE 8 10.215 9.734 -10.391 83 HG13 ILE 8 3HG1 ILE 8 10.769 9.526 -8.733 84 HG21 ILE 8 1HG2 ILE 8 11.557 6.826 -8.509 85 HG22 ILE 8 2HG2 ILE 8 10.391 5.693 -9.191 86 HG23 ILE 8 3HG2 ILE 8 11.584 6.465 -10.235 87 HD11 ILE 8 3HD1 ILE 8 12.192 8.195 -10.998 88 HD12 ILE 8 1HD1 ILE 8 12.505 9.882 -10.589 89 HD13 ILE 8 2HD1 ILE 8 12.793 8.617 -9.395 90 H GLN 9 H GLN 9 10.846 5.879 -11.937 91 HA GLN 9 HA GLN 9 12.479 7.617 -13.401 92 HB2 GLN 9 2HB GLN 9 12.120 4.725 -13.155 93 HB3 GLN 9 3HB GLN 9 12.661 5.221 -14.753 94 HG2 GLN 9 2HG GLN 9 14.358 6.656 -13.292 95 HG3 GLN 9 3HG GLN 9 14.054 5.348 -12.149 96 HE21 GLN 9 2HE2 GLN 9 15.601 2.855 -14.132 97 HE22 GLN 9 1HE2 GLN 9 14.338 3.140 -12.988 98 H LYS 10 H LYS 10 9.332 6.491 -14.038 99 HA LYS 10 HA LYS 10 9.556 7.134 -16.895 100 HB2 LYS 10 2HB LYS 10 8.263 5.051 -15.576 101 HB3 LYS 10 3HB LYS 10 6.963 6.146 -16.026 102 HG2 LYS 10 2HG LYS 10 9.013 5.002 -17.911 103 HG3 LYS 10 3HG LYS 10 7.353 4.433 -17.724 104 HD2 LYS 10 2HD LYS 10 6.547 6.066 -19.021 105 HD3 LYS 10 3HD LYS 10 7.504 7.299 -18.196 106 HE2 LYS 10 2HE LYS 10 8.482 5.443 -20.364 107 HE3 LYS 10 3HE LYS 10 8.099 7.153 -20.559 108 HZ1 LYS 10 3HZ LYS 10 9.844 7.540 -18.784 109 HZ2 LYS 10 1HZ LYS 10 10.406 7.060 -20.306 110 HZ3 LYS 10 2HZ LYS 10 10.328 5.939 -19.042 111 H VAL 11 H VAL 11 7.718 7.901 -13.975 112 HA VAL 11 HA VAL 11 6.017 9.818 -15.207 113 HB VAL 11 HB VAL 11 5.778 8.588 -12.908 114 HG11 VAL 11 1HG1 VAL 11 6.906 11.158 -11.867 115 HG12 VAL 11 2HG1 VAL 11 6.600 9.644 -11.013 116 HG13 VAL 11 3HG1 VAL 11 7.950 9.764 -12.141 117 HG21 VAL 11 3HG2 VAL 11 3.912 9.781 -13.319 118 HG22 VAL 11 1HG2 VAL 11 4.592 10.896 -12.134 119 HG23 VAL 11 2HG2 VAL 11 4.812 11.199 -13.857 120 H ILE 12 H ILE 12 9.235 9.919 -13.928 121 HA ILE 12 HA ILE 12 9.541 12.597 -13.292 122 HB ILE 12 HB ILE 12 11.284 10.897 -12.915 123 HG12 ILE 12 2HG1 ILE 12 12.537 12.994 -14.652 124 HG13 ILE 12 3HG1 ILE 12 11.676 13.473 -13.194 125 HG21 ILE 12 1HG2 ILE 12 12.108 9.628 -14.542 126 HG22 ILE 12 2HG2 ILE 12 10.937 10.367 -15.633 127 HG23 ILE 12 3HG2 ILE 12 12.559 11.043 -15.492 128 HD11 ILE 12 3HD1 ILE 12 13.615 11.306 -12.827 129 HD12 ILE 12 1HD1 ILE 12 14.303 12.860 -13.298 130 HD13 ILE 12 2HD1 ILE 12 13.306 12.740 -11.847 Start of MODEL 9 1 H1 VAL 1 H VAL 1 0.994 1.565 -3.695 2 HA VAL 1 HA VAL 1 1.859 3.716 -3.143 3 HB VAL 1 HB VAL 1 1.400 2.298 -0.515 4 HG11 VAL 1 1HG1 VAL 1 0.539 4.654 0.071 5 HG12 VAL 1 2HG1 VAL 1 2.282 4.386 0.020 6 HG13 VAL 1 3HG1 VAL 1 1.471 5.181 -1.329 7 HG21 VAL 1 3HG2 VAL 1 -0.520 3.506 -2.492 8 HG22 VAL 1 1HG2 VAL 1 -0.499 1.861 -1.856 9 HG23 VAL 1 2HG2 VAL 1 -0.943 3.208 -0.806 10 H PHE 2 H PHE 2 3.579 1.019 -1.714 11 HA PHE 2 HA PHE 2 5.688 2.701 -0.666 12 HB2 PHE 2 2HB PHE 2 5.247 -0.279 -0.752 13 HB3 PHE 2 3HB PHE 2 6.763 0.420 -0.192 14 HD1 PHE 2 HD1 PHE 2 6.704 2.004 1.773 15 HD2 PHE 2 HD2 PHE 2 3.396 -0.434 0.664 16 HE1 PHE 2 HE1 PHE 2 5.744 2.291 4.020 17 HE2 PHE 2 HE2 PHE 2 2.430 -0.150 2.909 18 HZ PHE 2 HZ PHE 2 3.604 1.214 4.590 19 H ARG 3 H ARG 3 5.306 0.316 -3.266 20 HA ARG 3 HA ARG 3 7.978 0.707 -4.243 21 HB2 ARG 3 2HB ARG 3 6.417 -1.381 -4.456 22 HB3 ARG 3 3HB ARG 3 5.790 -0.539 -5.867 23 HG2 ARG 3 2HG ARG 3 7.424 -1.932 -6.740 24 HG3 ARG 3 3HG ARG 3 8.241 -0.373 -6.608 25 HD2 ARG 3 2HD ARG 3 9.763 -1.221 -5.227 26 HD3 ARG 3 3HD ARG 3 8.511 -1.856 -4.160 27 HE ARG 3 HE ARG 3 8.892 -3.923 -5.042 28 HH11 ARG 3 1HH1 ARG 3 10.098 -1.529 -7.264 29 HH12 ARG 3 2HH1 ARG 3 10.796 -2.692 -8.341 30 HH21 ARG 3 2HH2 ARG 3 10.629 -4.930 -7.880 31 HH22 ARG 3 1HH2 ARG 3 9.807 -5.464 -6.453 32 H LEU 4 H LEU 4 7.696 3.101 -4.363 33 HA LEU 4 HA LEU 4 6.379 3.913 -6.869 34 HB2 LEU 4 2HB LEU 4 5.995 6.019 -5.981 35 HB3 LEU 4 3HB LEU 4 5.696 4.939 -4.620 36 HG LEU 4 HG LEU 4 8.344 5.577 -4.295 37 HD11 LEU 4 1HD1 LEU 4 7.510 7.401 -6.155 38 HD12 LEU 4 2HD1 LEU 4 8.860 7.618 -5.041 39 HD13 LEU 4 3HD1 LEU 4 7.271 8.270 -4.638 40 HD21 LEU 4 3HD2 LEU 4 7.621 6.782 -2.389 41 HD22 LEU 4 1HD2 LEU 4 6.436 5.501 -2.646 42 HD23 LEU 4 2HD2 LEU 4 6.063 7.156 -3.127 43 H LYS 5 H LYS 5 9.243 2.908 -6.014 44 HA LYS 5 HA LYS 5 10.795 5.077 -7.231 45 HB2 LYS 5 2HB LYS 5 12.770 3.882 -6.411 46 HB3 LYS 5 3HB LYS 5 11.635 4.203 -5.106 47 HG2 LYS 5 2HG LYS 5 10.822 1.894 -5.261 48 HG3 LYS 5 3HG LYS 5 11.996 1.579 -6.541 49 HD2 LYS 5 2HD LYS 5 12.994 0.766 -4.571 50 HD3 LYS 5 3HD LYS 5 13.773 2.321 -4.876 51 HE2 LYS 5 2HE LYS 5 12.395 3.393 -3.224 52 HE3 LYS 5 3HE LYS 5 11.439 1.928 -3.008 53 HZ1 LYS 5 3HZ LYS 5 13.514 0.829 -2.238 54 HZ2 LYS 5 1HZ LYS 5 12.980 2.074 -1.224 55 HZ3 LYS 5 2HZ LYS 5 14.283 2.336 -2.270 56 H LYS 6 H LYS 6 9.151 2.424 -8.212 57 HA LYS 6 HA LYS 6 11.104 1.670 -10.271 58 HB2 LYS 6 2HB LYS 6 10.245 -0.226 -9.078 59 HB3 LYS 6 3HB LYS 6 8.587 0.322 -9.290 60 HG2 LYS 6 2HG LYS 6 10.049 -0.075 -11.794 61 HG3 LYS 6 3HG LYS 6 9.832 -1.539 -10.831 62 HD2 LYS 6 2HD LYS 6 7.717 -1.680 -11.497 63 HD3 LYS 6 3HD LYS 6 7.385 -0.079 -10.831 64 HE2 LYS 6 2HE LYS 6 7.629 0.960 -12.847 65 HE3 LYS 6 3HE LYS 6 8.791 -0.225 -13.441 66 HZ1 LYS 6 3HZ LYS 6 6.382 -0.152 -14.386 67 HZ2 LYS 6 1HZ LYS 6 6.010 -1.057 -13.006 68 HZ3 LYS 6 2HZ LYS 6 7.144 -1.639 -14.118 69 H TRP 7 H TRP 7 8.065 3.244 -9.767 70 HA TRP 7 HA TRP 7 7.535 3.324 -12.648 71 HB2 TRP 7 2HB TRP 7 5.317 3.790 -12.163 72 HB3 TRP 7 3HB TRP 7 5.768 2.778 -10.792 73 HD1 TRP 7 HD1 TRP 7 7.097 4.792 -8.859 74 HE1 TRP 7 HE1 TRP 7 5.748 6.705 -7.788 75 HE3 TRP 7 HE3 TRP 7 3.250 5.051 -12.216 76 HZ2 TRP 7 HZ2 TRP 7 3.368 8.134 -8.299 77 HZ3 TRP 7 HZ3 TRP 7 1.477 6.718 -11.852 78 HH2 TRP 7 HH2 TRP 7 1.537 8.227 -9.933 79 H ILE 8 H ILE 8 8.740 5.226 -10.066 80 HA ILE 8 HA ILE 8 8.106 7.812 -10.932 81 HB ILE 8 HB ILE 8 9.030 7.467 -8.733 82 HG12 ILE 8 2HG1 ILE 8 10.572 9.286 -8.651 83 HG13 ILE 8 3HG1 ILE 8 11.112 8.992 -10.300 84 HG21 ILE 8 1HG2 ILE 8 11.633 6.704 -10.045 85 HG22 ILE 8 2HG2 ILE 8 11.267 6.721 -8.321 86 HG23 ILE 8 3HG2 ILE 8 10.483 5.547 -9.377 87 HD11 ILE 8 3HD1 ILE 8 8.398 9.993 -9.473 88 HD12 ILE 8 1HD1 ILE 8 9.696 10.950 -10.187 89 HD13 ILE 8 2HD1 ILE 8 8.916 9.678 -11.128 90 H GLN 9 H GLN 9 10.813 5.690 -11.764 91 HA GLN 9 HA GLN 9 12.376 7.447 -13.218 92 HB2 GLN 9 2HB GLN 9 12.007 4.531 -13.123 93 HB3 GLN 9 3HB GLN 9 12.653 5.133 -14.644 94 HG2 GLN 9 2HG GLN 9 14.374 4.456 -12.987 95 HG3 GLN 9 3HG GLN 9 14.520 6.119 -13.553 96 HE21 GLN 9 2HE2 GLN 9 13.344 5.382 -9.702 97 HE22 GLN 9 1HE2 GLN 9 13.061 4.216 -10.945 98 H LYS 10 H LYS 10 9.284 6.157 -13.981 99 HA LYS 10 HA LYS 10 9.521 7.039 -16.774 100 HB2 LYS 10 2HB LYS 10 8.732 4.789 -16.632 101 HB3 LYS 10 3HB LYS 10 7.557 5.212 -15.393 102 HG2 LYS 10 2HG LYS 10 6.535 4.838 -17.597 103 HG3 LYS 10 3HG LYS 10 6.260 6.471 -16.985 104 HD2 LYS 10 2HD LYS 10 6.824 6.572 -19.333 105 HD3 LYS 10 3HD LYS 10 8.137 7.271 -18.382 106 HE2 LYS 10 2HE LYS 10 8.336 4.383 -18.960 107 HE3 LYS 10 3HE LYS 10 8.507 5.464 -20.342 108 HZ1 LYS 10 3HZ LYS 10 10.213 5.211 -17.961 109 HZ2 LYS 10 1HZ LYS 10 10.140 6.695 -18.770 110 HZ3 LYS 10 2HZ LYS 10 10.654 5.309 -19.591 111 H VAL 11 H VAL 11 7.884 7.640 -13.764 112 HA VAL 11 HA VAL 11 5.850 9.335 -14.857 113 HB VAL 11 HB VAL 11 6.849 9.010 -12.026 114 HG11 VAL 11 1HG1 VAL 11 4.761 10.180 -11.380 115 HG12 VAL 11 2HG1 VAL 11 5.899 11.212 -12.250 116 HG13 VAL 11 3HG1 VAL 11 4.486 10.558 -13.081 117 HG21 VAL 11 3HG2 VAL 11 5.676 7.117 -12.119 118 HG22 VAL 11 1HG2 VAL 11 4.228 8.117 -12.238 119 HG23 VAL 11 2HG2 VAL 11 5.014 7.525 -13.702 120 H ILE 12 H ILE 12 9.125 9.758 -13.794 121 HA ILE 12 HA ILE 12 9.242 12.424 -13.127 122 HB ILE 12 HB ILE 12 11.565 12.378 -14.197 123 HG12 ILE 12 2HG1 ILE 12 11.372 9.426 -14.305 124 HG13 ILE 12 3HG1 ILE 12 10.599 10.293 -15.628 125 HG21 ILE 12 1HG2 ILE 12 12.381 11.533 -12.265 126 HG22 ILE 12 2HG2 ILE 12 10.683 11.580 -11.795 127 HG23 ILE 12 3HG2 ILE 12 11.400 10.072 -12.362 128 HD11 ILE 12 3HD1 ILE 12 13.340 11.126 -14.921 129 HD12 ILE 12 1HD1 ILE 12 13.152 9.541 -15.670 130 HD13 ILE 12 2HD1 ILE 12 12.563 10.983 -16.497 Start of MODEL 10 1 H1 VAL 1 H VAL 1 3.195 -2.627 -3.277 2 HA VAL 1 HA VAL 1 1.553 -0.595 -4.447 3 HB VAL 1 HB VAL 1 0.724 -2.151 -2.701 4 HG11 VAL 1 1HG1 VAL 1 2.976 -1.782 -1.379 5 HG12 VAL 1 2HG1 VAL 1 2.034 -0.514 -0.591 6 HG13 VAL 1 3HG1 VAL 1 1.478 -2.187 -0.543 7 HG21 VAL 1 3HG2 VAL 1 -0.737 -0.618 -1.752 8 HG22 VAL 1 1HG2 VAL 1 0.501 0.631 -1.620 9 HG23 VAL 1 2HG2 VAL 1 -0.179 0.226 -3.196 10 H PHE 2 H PHE 2 4.478 -0.645 -2.594 11 HA PHE 2 HA PHE 2 4.355 2.285 -2.312 12 HB2 PHE 2 2HB PHE 2 4.807 0.413 -0.342 13 HB3 PHE 2 3HB PHE 2 6.438 0.911 -0.778 14 HD1 PHE 2 HD1 PHE 2 4.041 1.472 1.531 15 HD2 PHE 2 HD2 PHE 2 6.411 3.663 -1.244 16 HE1 PHE 2 HE1 PHE 2 3.786 3.492 2.912 17 HE2 PHE 2 HE2 PHE 2 6.161 5.686 0.133 18 HZ PHE 2 HZ PHE 2 4.848 5.602 2.215 19 H ARG 3 H ARG 3 5.112 0.936 -4.730 20 HA ARG 3 HA ARG 3 8.011 1.181 -4.867 21 HB2 ARG 3 2HB ARG 3 5.935 0.305 -6.876 22 HB3 ARG 3 3HB ARG 3 7.643 0.460 -7.262 23 HG2 ARG 3 2HG ARG 3 6.537 -1.331 -5.111 24 HG3 ARG 3 3HG ARG 3 6.946 -1.853 -6.746 25 HD2 ARG 3 2HD ARG 3 9.268 -0.862 -6.253 26 HD3 ARG 3 3HD ARG 3 8.764 -0.893 -4.563 27 HE ARG 3 HE ARG 3 8.977 -3.180 -4.568 28 HH11 ARG 3 1HH1 ARG 3 9.103 -1.988 -7.836 29 HH12 ARG 3 2HH1 ARG 3 9.592 -3.508 -8.510 30 HH21 ARG 3 2HH2 ARG 3 9.885 -5.326 -7.148 31 HH22 ARG 3 1HH2 ARG 3 9.620 -5.186 -5.443 32 H LEU 4 H LEU 4 7.923 3.507 -4.395 33 HA LEU 4 HA LEU 4 6.821 5.247 -6.425 34 HB2 LEU 4 2HB LEU 4 8.216 5.622 -3.818 35 HB3 LEU 4 3HB LEU 4 8.172 6.962 -4.962 36 HG LEU 4 HG LEU 4 6.407 7.093 -3.244 37 HD11 LEU 4 1HD1 LEU 4 4.542 7.494 -4.792 38 HD12 LEU 4 2HD1 LEU 4 5.432 6.658 -6.064 39 HD13 LEU 4 3HD1 LEU 4 6.061 8.161 -5.391 40 HD21 LEU 4 3HD2 LEU 4 4.545 5.531 -3.290 41 HD22 LEU 4 1HD2 LEU 4 6.054 4.685 -2.944 42 HD23 LEU 4 2HD2 LEU 4 5.341 4.593 -4.555 43 H LYS 5 H LYS 5 9.711 3.559 -5.944 44 HA LYS 5 HA LYS 5 11.307 5.429 -7.524 45 HB2 LYS 5 2HB LYS 5 13.174 3.849 -7.038 46 HB3 LYS 5 3HB LYS 5 12.429 4.528 -5.597 47 HG2 LYS 5 2HG LYS 5 11.193 2.029 -6.401 48 HG3 LYS 5 3HG LYS 5 12.922 1.861 -6.087 49 HD2 LYS 5 2HD LYS 5 12.256 3.339 -3.965 50 HD3 LYS 5 3HD LYS 5 10.706 2.541 -4.238 51 HE2 LYS 5 2HE LYS 5 11.848 0.361 -4.188 52 HE3 LYS 5 3HE LYS 5 13.373 1.181 -3.861 53 HZ1 LYS 5 3HZ LYS 5 11.967 0.228 -1.919 54 HZ2 LYS 5 1HZ LYS 5 11.077 1.657 -2.090 55 HZ3 LYS 5 2HZ LYS 5 12.731 1.727 -1.744 56 H LYS 6 H LYS 6 9.114 3.146 -8.195 57 HA LYS 6 HA LYS 6 10.579 2.061 -10.503 58 HB2 LYS 6 2HB LYS 6 9.448 0.508 -8.814 59 HB3 LYS 6 3HB LYS 6 7.922 1.080 -9.474 60 HG2 LYS 6 2HG LYS 6 9.895 0.123 -11.442 61 HG3 LYS 6 3HG LYS 6 9.214 -1.097 -10.363 62 HD2 LYS 6 2HD LYS 6 7.399 0.848 -11.723 63 HD3 LYS 6 3HD LYS 6 8.034 -0.529 -12.627 64 HE2 LYS 6 2HE LYS 6 6.877 -1.063 -9.948 65 HE3 LYS 6 3HE LYS 6 5.759 -0.644 -11.245 66 HZ1 LYS 6 3HZ LYS 6 6.038 -3.016 -11.138 67 HZ2 LYS 6 1HZ LYS 6 7.719 -2.874 -11.268 68 HZ3 LYS 6 2HZ LYS 6 6.731 -2.446 -12.572 69 H TRP 7 H TRP 7 7.934 4.070 -9.542 70 HA TRP 7 HA TRP 7 6.943 4.220 -12.297 71 HB2 TRP 7 2HB TRP 7 4.910 4.843 -11.466 72 HB3 TRP 7 3HB TRP 7 5.513 3.998 -10.043 73 HD1 TRP 7 HD1 TRP 7 7.065 5.904 -8.399 74 HE1 TRP 7 HE1 TRP 7 6.163 8.162 -7.556 75 HE3 TRP 7 HE3 TRP 7 3.299 6.592 -11.788 76 HZ2 TRP 7 HZ2 TRP 7 4.126 9.993 -8.237 77 HZ3 TRP 7 HZ3 TRP 7 1.920 8.623 -11.623 78 HH2 TRP 7 HH2 TRP 7 2.326 10.287 -9.883 79 H ILE 8 H ILE 8 8.802 5.937 -9.982 80 HA ILE 8 HA ILE 8 8.406 8.585 -10.791 81 HB ILE 8 HB ILE 8 9.622 8.187 -8.782 82 HG12 ILE 8 2HG1 ILE 8 10.381 10.029 -10.570 83 HG13 ILE 8 3HG1 ILE 8 11.176 9.848 -9.010 84 HG21 ILE 8 1HG2 ILE 8 11.866 7.120 -8.802 85 HG22 ILE 8 2HG2 ILE 8 10.557 6.027 -9.245 86 HG23 ILE 8 3HG2 ILE 8 11.605 6.699 -10.494 87 HD11 ILE 8 3HD1 ILE 8 12.615 10.053 -11.125 88 HD12 ILE 8 1HD1 ILE 8 13.030 8.818 -9.936 89 HD13 ILE 8 2HD1 ILE 8 12.169 8.371 -11.409 90 H GLN 9 H GLN 9 10.582 6.091 -12.035 91 HA GLN 9 HA GLN 9 12.044 7.695 -13.807 92 HB2 GLN 9 2HB GLN 9 11.604 4.831 -13.381 93 HB3 GLN 9 3HB GLN 9 11.929 5.246 -15.059 94 HG2 GLN 9 2HG GLN 9 13.878 6.649 -13.916 95 HG3 GLN 9 3HG GLN 9 13.688 5.398 -12.688 96 HE21 GLN 9 2HE2 GLN 9 14.791 2.761 -14.795 97 HE22 GLN 9 1HE2 GLN 9 13.695 3.141 -13.515 98 H LYS 10 H LYS 10 8.792 6.716 -13.894 99 HA LYS 10 HA LYS 10 8.596 7.219 -16.782 100 HB2 LYS 10 2HB LYS 10 6.624 5.965 -14.864 101 HB3 LYS 10 3HB LYS 10 6.313 6.248 -16.572 102 HG2 LYS 10 2HG LYS 10 6.923 4.019 -16.508 103 HG3 LYS 10 3HG LYS 10 8.423 4.828 -16.969 104 HD2 LYS 10 2HD LYS 10 9.360 4.556 -14.847 105 HD3 LYS 10 3HD LYS 10 7.793 4.254 -14.093 106 HE2 LYS 10 2HE LYS 10 7.952 2.063 -14.465 107 HE3 LYS 10 3HE LYS 10 8.356 2.317 -16.162 108 HZ1 LYS 10 3HZ LYS 10 10.206 2.235 -13.850 109 HZ2 LYS 10 1HZ LYS 10 10.669 2.822 -15.368 110 HZ3 LYS 10 2HZ LYS 10 10.178 1.212 -15.197 111 H VAL 11 H VAL 11 7.278 8.203 -13.654 112 HA VAL 11 HA VAL 11 5.501 10.161 -14.719 113 HB VAL 11 HB VAL 11 5.509 9.017 -12.368 114 HG11 VAL 11 1HG1 VAL 11 7.835 10.096 -11.957 115 HG12 VAL 11 2HG1 VAL 11 6.898 11.537 -11.555 116 HG13 VAL 11 3HG1 VAL 11 6.658 10.045 -10.645 117 HG21 VAL 11 3HG2 VAL 11 4.387 11.140 -11.438 118 HG22 VAL 11 1HG2 VAL 11 4.732 11.838 -13.020 119 HG23 VAL 11 2HG2 VAL 11 3.710 10.407 -12.892 120 H ILE 12 H ILE 12 8.866 10.122 -13.912 121 HA ILE 12 HA ILE 12 9.332 12.845 -13.471 122 HB ILE 12 HB ILE 12 11.026 11.128 -13.039 123 HG12 ILE 12 2HG1 ILE 12 12.115 13.019 -15.119 124 HG13 ILE 12 3HG1 ILE 12 11.581 13.578 -13.538 125 HG21 ILE 12 1HG2 ILE 12 12.121 10.864 -15.673 126 HG22 ILE 12 2HG2 ILE 12 11.603 9.608 -14.549 127 HG23 ILE 12 3HG2 ILE 12 10.441 10.326 -15.665 128 HD11 ILE 12 3HD1 ILE 12 13.238 11.544 -12.852 129 HD12 ILE 12 1HD1 ILE 12 14.014 12.156 -14.312 130 HD13 ILE 12 2HD1 ILE 12 13.708 13.240 -12.954 Start of MODEL 11 1 H1 VAL 1 H VAL 1 5.451 -2.234 -0.718 2 HA VAL 1 HA VAL 1 2.919 -1.891 -0.814 3 HB VAL 1 HB VAL 1 3.612 -0.397 1.719 4 HG11 VAL 1 1HG1 VAL 1 1.150 0.030 1.792 5 HG12 VAL 1 2HG1 VAL 1 1.997 0.860 0.485 6 HG13 VAL 1 3HG1 VAL 1 1.051 -0.590 0.144 7 HG21 VAL 1 3HG2 VAL 1 2.054 -1.963 2.799 8 HG22 VAL 1 1HG2 VAL 1 1.886 -2.830 1.272 9 HG23 VAL 1 2HG2 VAL 1 3.444 -2.792 2.098 10 H PHE 2 H PHE 2 5.822 -0.086 -0.230 11 HA PHE 2 HA PHE 2 4.791 2.231 -1.689 12 HB2 PHE 2 2HB PHE 2 7.055 1.753 0.171 13 HB3 PHE 2 3HB PHE 2 7.307 2.957 -1.089 14 HD1 PHE 2 HD1 PHE 2 7.215 5.022 -0.069 15 HD2 PHE 2 HD2 PHE 2 4.270 2.102 0.886 16 HE1 PHE 2 HE1 PHE 2 6.006 6.687 1.280 17 HE2 PHE 2 HE2 PHE 2 3.056 3.762 2.235 18 HZ PHE 2 HZ PHE 2 3.923 6.059 2.433 19 H ARG 3 H ARG 3 4.694 1.317 -3.769 20 HA ARG 3 HA ARG 3 7.309 0.701 -4.978 21 HB2 ARG 3 2HB ARG 3 4.559 -0.367 -5.467 22 HB3 ARG 3 3HB ARG 3 5.702 -0.319 -6.804 23 HG2 ARG 3 2HG ARG 3 6.424 -1.581 -4.185 24 HG3 ARG 3 3HG ARG 3 5.535 -2.467 -5.425 25 HD2 ARG 3 2HD ARG 3 7.583 -1.350 -6.857 26 HD3 ARG 3 3HD ARG 3 8.355 -1.702 -5.312 27 HE ARG 3 HE ARG 3 7.040 -3.998 -5.903 28 HH11 ARG 3 1HH1 ARG 3 9.313 -2.006 -7.631 29 HH12 ARG 3 2HH1 ARG 3 9.993 -3.327 -8.522 30 HH21 ARG 3 2HH2 ARG 3 9.204 -5.454 -8.202 31 HH22 ARG 3 1HH2 ARG 3 7.927 -5.746 -7.070 32 H LEU 4 H LEU 4 7.178 3.237 -4.879 33 HA LEU 4 HA LEU 4 5.961 4.188 -7.388 34 HB2 LEU 4 2HB LEU 4 5.660 6.297 -6.451 35 HB3 LEU 4 3HB LEU 4 5.209 5.182 -5.163 36 HG LEU 4 HG LEU 4 7.863 5.646 -4.642 37 HD11 LEU 4 1HD1 LEU 4 8.545 7.662 -5.298 38 HD12 LEU 4 2HD1 LEU 4 7.001 8.411 -4.893 39 HD13 LEU 4 3HD1 LEU 4 7.213 7.615 -6.452 40 HD21 LEU 4 3HD2 LEU 4 5.818 5.621 -3.138 41 HD22 LEU 4 1HD2 LEU 4 5.631 7.329 -3.536 42 HD23 LEU 4 2HD2 LEU 4 7.091 6.770 -2.720 43 H LYS 5 H LYS 5 8.746 3.039 -6.450 44 HA LYS 5 HA LYS 5 10.447 5.179 -7.496 45 HB2 LYS 5 2HB LYS 5 12.301 3.999 -6.590 46 HB3 LYS 5 3HB LYS 5 11.035 3.947 -5.370 47 HG2 LYS 5 2HG LYS 5 10.512 1.658 -6.685 48 HG3 LYS 5 3HG LYS 5 12.257 1.771 -6.927 49 HD2 LYS 5 2HD LYS 5 12.489 0.894 -4.890 50 HD3 LYS 5 3HD LYS 5 11.882 2.423 -4.251 51 HE2 LYS 5 2HE LYS 5 9.555 1.463 -4.566 52 HE3 LYS 5 3HE LYS 5 10.340 -0.091 -4.842 53 HZ1 LYS 5 3HZ LYS 5 11.202 -0.103 -2.669 54 HZ2 LYS 5 1HZ LYS 5 9.586 0.368 -2.504 55 HZ3 LYS 5 2HZ LYS 5 10.818 1.523 -2.406 56 H LYS 6 H LYS 6 8.656 2.806 -8.773 57 HA LYS 6 HA LYS 6 10.647 2.045 -10.799 58 HB2 LYS 6 2HB LYS 6 9.342 0.266 -9.511 59 HB3 LYS 6 3HB LYS 6 7.930 0.795 -10.418 60 HG2 LYS 6 2HG LYS 6 10.309 0.177 -12.033 61 HG3 LYS 6 3HG LYS 6 9.575 -1.191 -11.194 62 HD2 LYS 6 2HD LYS 6 7.836 0.702 -12.712 63 HD3 LYS 6 3HD LYS 6 8.768 -0.511 -13.592 64 HE2 LYS 6 2HE LYS 6 7.754 -2.269 -12.206 65 HE3 LYS 6 3HE LYS 6 6.805 -1.045 -11.363 66 HZ1 LYS 6 3HZ LYS 6 5.484 -0.682 -13.190 67 HZ2 LYS 6 1HZ LYS 6 5.773 -2.343 -13.331 68 HZ3 LYS 6 2HZ LYS 6 6.635 -1.251 -14.292 69 H TRP 7 H TRP 7 7.701 3.775 -10.268 70 HA TRP 7 HA TRP 7 7.278 4.103 -13.151 71 HB2 TRP 7 2HB TRP 7 5.075 4.518 -12.717 72 HB3 TRP 7 3HB TRP 7 5.445 3.586 -11.269 73 HD1 TRP 7 HD1 TRP 7 6.479 5.435 -9.201 74 HE1 TRP 7 HE1 TRP 7 5.240 7.540 -8.391 75 HE3 TRP 7 HE3 TRP 7 3.414 6.172 -13.226 76 HZ2 TRP 7 HZ2 TRP 7 3.230 9.283 -9.333 77 HZ3 TRP 7 HZ3 TRP 7 1.862 8.081 -13.192 78 HH2 TRP 7 HH2 TRP 7 1.773 9.603 -11.285 79 H ILE 8 H ILE 8 8.479 5.730 -10.379 80 HA ILE 8 HA ILE 8 8.037 8.405 -11.057 81 HB ILE 8 HB ILE 8 8.853 7.912 -8.874 82 HG12 ILE 8 2HG1 ILE 8 9.799 9.953 -10.326 83 HG13 ILE 8 3HG1 ILE 8 10.275 9.688 -8.652 84 HG21 ILE 8 1HG2 ILE 8 10.040 5.868 -9.296 85 HG22 ILE 8 2HG2 ILE 8 11.258 6.721 -10.243 86 HG23 ILE 8 3HG2 ILE 8 11.136 7.003 -8.507 87 HD11 ILE 8 3HD1 ILE 8 11.851 8.501 -10.897 88 HD12 ILE 8 1HD1 ILE 8 12.090 10.176 -10.399 89 HD13 ILE 8 2HD1 ILE 8 12.357 8.866 -9.248 90 H GLN 9 H GLN 9 10.619 6.183 -12.002 91 HA GLN 9 HA GLN 9 12.269 8.030 -13.310 92 HB2 GLN 9 2HB GLN 9 11.992 5.119 -13.195 93 HB3 GLN 9 3HB GLN 9 12.608 5.699 -14.737 94 HG2 GLN 9 2HG GLN 9 14.168 7.123 -13.120 95 HG3 GLN 9 3HG GLN 9 13.843 5.758 -12.052 96 HE21 GLN 9 2HE2 GLN 9 15.569 3.400 -14.062 97 HE22 GLN 9 1HE2 GLN 9 14.222 3.592 -12.998 98 H LYS 10 H LYS 10 9.193 6.851 -14.142 99 HA LYS 10 HA LYS 10 9.541 7.598 -16.962 100 HB2 LYS 10 2HB LYS 10 7.334 6.048 -15.594 101 HB3 LYS 10 3HB LYS 10 7.352 6.463 -17.304 102 HG2 LYS 10 2HG LYS 10 8.121 4.282 -17.280 103 HG3 LYS 10 3HG LYS 10 9.611 5.227 -17.357 104 HD2 LYS 10 2HD LYS 10 10.119 4.827 -15.113 105 HD3 LYS 10 3HD LYS 10 8.463 4.357 -14.726 106 HE2 LYS 10 2HE LYS 10 8.958 2.227 -15.108 107 HE3 LYS 10 3HE LYS 10 9.456 2.618 -16.753 108 HZ1 LYS 10 3HZ LYS 10 11.660 3.191 -15.874 109 HZ2 LYS 10 1HZ LYS 10 11.257 1.574 -15.578 110 HZ3 LYS 10 2HZ LYS 10 11.169 2.710 -14.328 111 H VAL 11 H VAL 11 7.544 8.207 -14.110 112 HA VAL 11 HA VAL 11 5.860 10.129 -15.371 113 HB VAL 11 HB VAL 11 5.495 8.782 -13.158 114 HG11 VAL 11 1HG1 VAL 11 6.180 9.735 -11.164 115 HG12 VAL 11 2HG1 VAL 11 7.590 9.978 -12.196 116 HG13 VAL 11 3HG1 VAL 11 6.474 11.311 -11.898 117 HG21 VAL 11 3HG2 VAL 11 3.624 9.948 -13.571 118 HG22 VAL 11 1HG2 VAL 11 4.243 11.076 -12.365 119 HG23 VAL 11 2HG2 VAL 11 4.515 11.381 -14.080 120 H ILE 12 H ILE 12 8.986 10.243 -13.892 121 HA ILE 12 HA ILE 12 9.124 12.941 -13.166 122 HB ILE 12 HB ILE 12 10.838 11.335 -12.505 123 HG12 ILE 12 2HG1 ILE 12 12.567 13.093 -14.069 124 HG13 ILE 12 3HG1 ILE 12 11.245 13.958 -13.293 125 HG21 ILE 12 1HG2 ILE 12 12.519 10.551 -14.096 126 HG22 ILE 12 2HG2 ILE 12 10.904 10.011 -14.552 127 HG23 ILE 12 3HG2 ILE 12 11.658 11.357 -15.407 128 HD11 ILE 12 3HD1 ILE 12 13.663 12.901 -12.159 129 HD12 ILE 12 1HD1 ILE 12 12.476 14.001 -11.457 130 HD13 ILE 12 2HD1 ILE 12 12.245 12.257 -11.332 Start of MODEL 12 1 H1 VAL 1 H VAL 1 0.690 -0.114 0.225 2 HA VAL 1 HA VAL 1 3.292 -1.073 -0.512 3 HB VAL 1 HB VAL 1 1.141 0.015 -2.330 4 HG11 VAL 1 1HG1 VAL 1 3.784 -0.934 -2.796 5 HG12 VAL 1 2HG1 VAL 1 2.642 -2.087 -3.488 6 HG13 VAL 1 3HG1 VAL 1 2.582 -0.391 -3.967 7 HG21 VAL 1 3HG2 VAL 1 1.579 -2.801 -1.340 8 HG22 VAL 1 1HG2 VAL 1 0.210 -1.755 -0.964 9 HG23 VAL 1 2HG2 VAL 1 0.450 -2.336 -2.612 10 H PHE 2 H PHE 2 5.043 0.136 -0.744 11 HA PHE 2 HA PHE 2 4.709 2.985 -1.418 12 HB2 PHE 2 2HB PHE 2 6.738 1.588 0.318 13 HB3 PHE 2 3HB PHE 2 7.024 3.201 -0.328 14 HD1 PHE 2 HD1 PHE 2 4.349 1.326 1.479 15 HD2 PHE 2 HD2 PHE 2 6.483 4.979 1.010 16 HE1 PHE 2 HE1 PHE 2 3.096 2.296 3.361 17 HE2 PHE 2 HE2 PHE 2 5.234 5.954 2.892 18 HZ PHE 2 HZ PHE 2 3.539 4.612 4.071 19 H ARG 3 H ARG 3 4.922 0.713 -3.265 20 HA ARG 3 HA ARG 3 7.573 0.813 -4.387 21 HB2 ARG 3 2HB ARG 3 5.002 -0.415 -5.396 22 HB3 ARG 3 3HB ARG 3 6.556 -0.573 -6.204 23 HG2 ARG 3 2HG ARG 3 6.638 -1.321 -3.388 24 HG3 ARG 3 3HG ARG 3 5.534 -2.304 -4.352 25 HD2 ARG 3 2HD ARG 3 7.295 -2.866 -5.890 26 HD3 ARG 3 3HD ARG 3 8.404 -1.753 -5.090 27 HE ARG 3 HE ARG 3 7.794 -4.425 -4.303 28 HH11 ARG 3 1HH1 ARG 3 8.677 -1.281 -3.096 29 HH12 ARG 3 2HH1 ARG 3 9.427 -1.899 -1.661 30 HH21 ARG 3 2HH2 ARG 3 9.484 -4.157 -1.277 31 HH22 ARG 3 1HH2 ARG 3 8.778 -5.250 -2.417 32 H LEU 4 H LEU 4 7.499 3.218 -4.563 33 HA LEU 4 HA LEU 4 6.227 4.030 -7.095 34 HB2 LEU 4 2HB LEU 4 5.789 6.146 -6.261 35 HB3 LEU 4 3HB LEU 4 5.413 5.087 -4.904 36 HG LEU 4 HG LEU 4 8.063 5.763 -4.489 37 HD11 LEU 4 1HD1 LEU 4 8.496 7.885 -5.091 38 HD12 LEU 4 2HD1 LEU 4 6.827 8.405 -4.858 39 HD13 LEU 4 3HD1 LEU 4 7.291 7.571 -6.340 40 HD21 LEU 4 3HD2 LEU 4 7.156 7.128 -2.652 41 HD22 LEU 4 1HD2 LEU 4 6.365 5.556 -2.775 42 HD23 LEU 4 2HD2 LEU 4 5.550 7.003 -3.371 43 H LYS 5 H LYS 5 9.001 2.968 -6.198 44 HA LYS 5 HA LYS 5 10.656 5.152 -7.244 45 HB2 LYS 5 2HB LYS 5 12.567 3.855 -6.403 46 HB3 LYS 5 3HB LYS 5 11.399 4.186 -5.131 47 HG2 LYS 5 2HG LYS 5 11.413 2.026 -4.656 48 HG3 LYS 5 3HG LYS 5 10.628 1.732 -6.210 49 HD2 LYS 5 2HD LYS 5 13.188 1.976 -7.014 50 HD3 LYS 5 3HD LYS 5 13.437 1.329 -5.390 51 HE2 LYS 5 2HE LYS 5 11.744 -0.458 -5.998 52 HE3 LYS 5 3HE LYS 5 11.881 0.112 -7.661 53 HZ1 LYS 5 3HZ LYS 5 13.341 -1.804 -7.081 54 HZ2 LYS 5 1HZ LYS 5 14.204 -0.778 -6.048 55 HZ3 LYS 5 2HZ LYS 5 14.164 -0.466 -7.710 56 H LYS 6 H LYS 6 8.958 2.673 -8.458 57 HA LYS 6 HA LYS 6 10.989 1.934 -10.452 58 HB2 LYS 6 2HB LYS 6 9.445 0.060 -11.013 59 HB3 LYS 6 3HB LYS 6 10.045 0.008 -9.361 60 HG2 LYS 6 2HG LYS 6 7.968 -0.086 -8.614 61 HG3 LYS 6 3HG LYS 6 7.629 1.484 -9.347 62 HD2 LYS 6 2HD LYS 6 7.405 -1.197 -10.716 63 HD3 LYS 6 3HD LYS 6 6.058 -0.219 -10.127 64 HE2 LYS 6 2HE LYS 6 6.753 1.588 -11.667 65 HE3 LYS 6 3HE LYS 6 8.017 0.532 -12.295 66 HZ1 LYS 6 3HZ LYS 6 5.109 0.362 -12.653 67 HZ2 LYS 6 1HZ LYS 6 6.018 -1.065 -12.689 68 HZ3 LYS 6 2HZ LYS 6 6.345 0.175 -13.793 69 H TRP 7 H TRP 7 7.928 3.497 -9.987 70 HA TRP 7 HA TRP 7 7.503 3.722 -12.875 71 HB2 TRP 7 2HB TRP 7 5.284 4.211 -12.436 72 HB3 TRP 7 3HB TRP 7 5.674 3.155 -11.080 73 HD1 TRP 7 HD1 TRP 7 7.013 5.124 -9.082 74 HE1 TRP 7 HE1 TRP 7 5.662 7.023 -7.991 75 HE3 TRP 7 HE3 TRP 7 3.209 5.470 -12.480 76 HZ2 TRP 7 HZ2 TRP 7 3.296 8.476 -8.502 77 HZ3 TRP 7 HZ3 TRP 7 1.441 7.140 -12.105 78 HH2 TRP 7 HH2 TRP 7 1.485 8.611 -10.157 79 H ILE 8 H ILE 8 8.690 5.494 -10.197 80 HA ILE 8 HA ILE 8 8.140 8.126 -11.008 81 HB ILE 8 HB ILE 8 8.918 7.774 -8.784 82 HG12 ILE 8 2HG1 ILE 8 9.823 9.772 -10.313 83 HG13 ILE 8 3HG1 ILE 8 10.279 9.605 -8.621 84 HG21 ILE 8 1HG2 ILE 8 11.228 6.973 -8.323 85 HG22 ILE 8 2HG2 ILE 8 10.183 5.758 -9.058 86 HG23 ILE 8 3HG2 ILE 8 11.389 6.593 -10.037 87 HD11 ILE 8 3HD1 ILE 8 12.399 8.841 -9.139 88 HD12 ILE 8 1HD1 ILE 8 11.936 8.359 -10.771 89 HD13 ILE 8 2HD1 ILE 8 12.104 10.069 -10.370 90 H GLN 9 H GLN 9 10.810 5.942 -11.779 91 HA GLN 9 HA GLN 9 12.477 7.732 -13.108 92 HB2 GLN 9 2HB GLN 9 12.046 4.781 -13.248 93 HB3 GLN 9 3HB GLN 9 13.042 5.543 -14.481 94 HG2 GLN 9 2HG GLN 9 14.720 6.020 -13.034 95 HG3 GLN 9 3HG GLN 9 13.632 6.215 -11.661 96 HE21 GLN 9 2HE2 GLN 9 13.411 2.596 -11.205 97 HE22 GLN 9 1HE2 GLN 9 12.333 3.922 -11.454 98 H LYS 10 H LYS 10 9.430 6.461 -14.031 99 HA LYS 10 HA LYS 10 9.827 7.297 -16.819 100 HB2 LYS 10 2HB LYS 10 8.561 5.061 -15.701 101 HB3 LYS 10 3HB LYS 10 7.253 6.088 -16.273 102 HG2 LYS 10 2HG LYS 10 9.585 5.150 -17.932 103 HG3 LYS 10 3HG LYS 10 7.959 4.462 -17.958 104 HD2 LYS 10 2HD LYS 10 7.167 6.106 -19.259 105 HD3 LYS 10 3HD LYS 10 8.004 7.358 -18.337 106 HE2 LYS 10 2HE LYS 10 9.239 5.578 -20.437 107 HE3 LYS 10 3HE LYS 10 8.792 7.270 -20.651 108 HZ1 LYS 10 3HZ LYS 10 11.046 7.350 -20.192 109 HZ2 LYS 10 1HZ LYS 10 10.971 6.130 -19.022 110 HZ3 LYS 10 2HZ LYS 10 10.356 7.668 -18.681 111 H VAL 11 H VAL 11 7.840 7.833 -13.967 112 HA VAL 11 HA VAL 11 6.025 9.643 -15.215 113 HB VAL 11 HB VAL 11 6.689 9.229 -12.298 114 HG11 VAL 11 1HG1 VAL 11 5.793 11.450 -12.598 115 HG12 VAL 11 2HG1 VAL 11 4.466 10.818 -13.574 116 HG13 VAL 11 3HG1 VAL 11 4.568 10.419 -11.859 117 HG21 VAL 11 3HG2 VAL 11 5.512 7.355 -12.562 118 HG22 VAL 11 1HG2 VAL 11 4.099 8.375 -12.836 119 HG23 VAL 11 2HG2 VAL 11 5.050 7.799 -14.205 120 H ILE 12 H ILE 12 9.191 9.935 -13.870 121 HA ILE 12 HA ILE 12 9.269 12.604 -13.109 122 HB ILE 12 HB ILE 12 11.125 11.040 -12.726 123 HG12 ILE 12 2HG1 ILE 12 12.102 13.367 -14.382 124 HG13 ILE 12 3HG1 ILE 12 11.410 13.568 -12.776 125 HG21 ILE 12 1HG2 ILE 12 12.555 10.266 -14.413 126 HG22 ILE 12 2HG2 ILE 12 10.934 10.060 -15.075 127 HG23 ILE 12 3HG2 ILE 12 11.931 11.419 -15.592 128 HD11 ILE 12 3HD1 ILE 12 14.029 13.288 -13.246 129 HD12 ILE 12 1HD1 ILE 12 13.249 12.789 -11.746 130 HD13 ILE 12 2HD1 ILE 12 13.585 11.599 -13.004 Start of MODEL 13 1 H1 VAL 1 H VAL 1 5.290 -1.997 0.208 2 HA VAL 1 HA VAL 1 2.531 -1.293 -0.407 3 HB VAL 1 HB VAL 1 4.341 -0.084 1.687 4 HG11 VAL 1 1HG1 VAL 1 2.662 1.384 1.821 5 HG12 VAL 1 2HG1 VAL 1 1.595 0.387 0.831 6 HG13 VAL 1 3HG1 VAL 1 1.742 0.075 2.561 7 HG21 VAL 1 3HG2 VAL 1 4.198 -2.396 2.206 8 HG22 VAL 1 1HG2 VAL 1 3.043 -1.573 3.255 9 HG23 VAL 1 2HG2 VAL 1 2.476 -2.444 1.830 10 H PHE 2 H PHE 2 5.514 0.594 0.132 11 HA PHE 2 HA PHE 2 4.469 2.744 -1.510 12 HB2 PHE 2 2HB PHE 2 7.030 2.444 0.066 13 HB3 PHE 2 3HB PHE 2 6.631 3.874 -0.880 14 HD1 PHE 2 HD1 PHE 2 4.441 5.081 -0.304 15 HD2 PHE 2 HD2 PHE 2 6.327 2.260 2.266 16 HE1 PHE 2 HE1 PHE 2 3.203 6.004 1.612 17 HE2 PHE 2 HE2 PHE 2 5.092 3.177 4.185 18 HZ PHE 2 HZ PHE 2 3.527 5.051 3.860 19 H ARG 3 H ARG 3 4.490 1.082 -3.353 20 HA ARG 3 HA ARG 3 7.102 0.712 -4.577 21 HB2 ARG 3 2HB ARG 3 5.149 -1.002 -4.526 22 HB3 ARG 3 3HB ARG 3 4.493 -0.049 -5.851 23 HG2 ARG 3 2HG ARG 3 5.658 -1.529 -7.087 24 HG3 ARG 3 3HG ARG 3 6.979 -0.402 -6.768 25 HD2 ARG 3 2HD ARG 3 7.572 -1.787 -4.775 26 HD3 ARG 3 3HD ARG 3 6.360 -2.957 -5.294 27 HE ARG 3 HE ARG 3 7.829 -3.711 -6.873 28 HH11 ARG 3 1HH1 ARG 3 8.859 -0.569 -5.785 29 HH12 ARG 3 2HH1 ARG 3 10.353 -0.611 -6.661 30 HH21 ARG 3 2HH2 ARG 3 10.883 -2.437 -7.939 31 HH22 ARG 3 1HH2 ARG 3 9.792 -3.779 -8.031 32 H LEU 4 H LEU 4 7.044 3.245 -4.574 33 HA LEU 4 HA LEU 4 5.920 4.135 -7.148 34 HB2 LEU 4 2HB LEU 4 6.538 5.732 -4.668 35 HB3 LEU 4 3HB LEU 4 6.023 6.426 -6.204 36 HG LEU 4 HG LEU 4 4.365 4.509 -4.568 37 HD11 LEU 4 1HD1 LEU 4 4.551 7.492 -4.566 38 HD12 LEU 4 2HD1 LEU 4 4.415 6.375 -3.208 39 HD13 LEU 4 3HD1 LEU 4 3.013 6.695 -4.229 40 HD21 LEU 4 3HD2 LEU 4 2.995 4.457 -6.312 41 HD22 LEU 4 1HD2 LEU 4 4.174 5.384 -7.240 42 HD23 LEU 4 2HD2 LEU 4 2.910 6.219 -6.337 43 H LYS 5 H LYS 5 8.649 2.981 -6.066 44 HA LYS 5 HA LYS 5 10.421 5.063 -7.114 45 HB2 LYS 5 2HB LYS 5 12.245 3.612 -6.246 46 HB3 LYS 5 3HB LYS 5 11.110 4.124 -5.003 47 HG2 LYS 5 2HG LYS 5 10.194 2.009 -4.785 48 HG3 LYS 5 3HG LYS 5 10.763 1.490 -6.373 49 HD2 LYS 5 2HD LYS 5 12.877 1.038 -5.619 50 HD3 LYS 5 3HD LYS 5 12.791 2.242 -4.331 51 HE2 LYS 5 2HE LYS 5 12.193 0.684 -2.866 52 HE3 LYS 5 3HE LYS 5 10.821 0.221 -3.871 53 HZ1 LYS 5 3HZ LYS 5 13.391 -1.056 -3.562 54 HZ2 LYS 5 1HZ LYS 5 12.878 -0.919 -5.168 55 HZ3 LYS 5 2HZ LYS 5 11.906 -1.712 -4.034 56 H LYS 6 H LYS 6 8.646 2.673 -8.382 57 HA LYS 6 HA LYS 6 10.703 1.818 -10.302 58 HB2 LYS 6 2HB LYS 6 9.317 0.103 -9.008 59 HB3 LYS 6 3HB LYS 6 7.955 0.619 -9.993 60 HG2 LYS 6 2HG LYS 6 10.406 -0.103 -11.460 61 HG3 LYS 6 3HG LYS 6 9.573 -1.422 -10.634 62 HD2 LYS 6 2HD LYS 6 8.011 0.493 -12.315 63 HD3 LYS 6 3HD LYS 6 8.935 -0.796 -13.090 64 HE2 LYS 6 2HE LYS 6 7.756 -2.374 -11.463 65 HE3 LYS 6 3HE LYS 6 6.663 -1.030 -11.137 66 HZ1 LYS 6 3HZ LYS 6 5.518 -1.829 -12.860 67 HZ2 LYS 6 1HZ LYS 6 6.811 -2.759 -13.433 68 HZ3 LYS 6 2HZ LYS 6 6.706 -1.119 -13.833 69 H TRP 7 H TRP 7 7.768 3.610 -9.944 70 HA TRP 7 HA TRP 7 7.460 3.845 -12.850 71 HB2 TRP 7 2HB TRP 7 5.250 4.354 -12.513 72 HB3 TRP 7 3HB TRP 7 5.541 3.404 -11.059 73 HD1 TRP 7 HD1 TRP 7 6.559 5.222 -8.949 74 HE1 TRP 7 HE1 TRP 7 5.342 7.351 -8.168 75 HE3 TRP 7 HE3 TRP 7 3.634 6.040 -13.062 76 HZ2 TRP 7 HZ2 TRP 7 3.399 9.140 -9.163 77 HZ3 TRP 7 HZ3 TRP 7 2.123 7.982 -13.067 78 HH2 TRP 7 HH2 TRP 7 2.009 9.499 -11.157 79 H ILE 8 H ILE 8 8.571 5.552 -10.086 80 HA ILE 8 HA ILE 8 8.206 8.207 -10.869 81 HB ILE 8 HB ILE 8 8.938 7.789 -8.647 82 HG12 ILE 8 2HG1 ILE 8 9.999 9.739 -10.146 83 HG13 ILE 8 3HG1 ILE 8 10.396 9.534 -8.444 84 HG21 ILE 8 1HG2 ILE 8 11.173 6.829 -8.156 85 HG22 ILE 8 2HG2 ILE 8 10.079 5.696 -8.949 86 HG23 ILE 8 3HG2 ILE 8 11.359 6.480 -9.875 87 HD11 ILE 8 3HD1 ILE 8 12.472 8.605 -8.918 88 HD12 ILE 8 1HD1 ILE 8 12.028 8.226 -10.582 89 HD13 ILE 8 2HD1 ILE 8 12.304 9.901 -10.103 90 H GLN 9 H GLN 9 10.793 5.921 -11.640 91 HA GLN 9 HA GLN 9 12.531 7.677 -12.938 92 HB2 GLN 9 2HB GLN 9 12.156 4.786 -12.769 93 HB3 GLN 9 3HB GLN 9 12.803 5.299 -14.322 94 HG2 GLN 9 2HG GLN 9 14.401 6.715 -12.737 95 HG3 GLN 9 3HG GLN 9 14.020 5.397 -11.630 96 HE21 GLN 9 2HE2 GLN 9 15.731 2.930 -13.486 97 HE22 GLN 9 1HE2 GLN 9 14.419 3.211 -12.398 98 H LYS 10 H LYS 10 9.456 6.531 -13.877 99 HA LYS 10 HA LYS 10 9.918 7.259 -16.683 100 HB2 LYS 10 2HB LYS 10 8.524 5.140 -15.527 101 HB3 LYS 10 3HB LYS 10 7.266 6.240 -16.075 102 HG2 LYS 10 2HG LYS 10 9.489 5.139 -17.782 103 HG3 LYS 10 3HG LYS 10 7.821 4.563 -17.763 104 HD2 LYS 10 2HD LYS 10 7.132 6.222 -19.094 105 HD3 LYS 10 3HD LYS 10 8.007 7.439 -18.163 106 HE2 LYS 10 2HE LYS 10 9.257 5.597 -20.198 107 HE3 LYS 10 3HE LYS 10 8.765 7.260 -20.517 108 HZ1 LYS 10 3HZ LYS 10 11.156 6.997 -19.998 109 HZ2 LYS 10 1HZ LYS 10 10.738 6.485 -18.440 110 HZ3 LYS 10 2HZ LYS 10 10.354 8.052 -18.946 111 H VAL 11 H VAL 11 7.851 7.956 -13.905 112 HA VAL 11 HA VAL 11 6.200 9.856 -15.203 113 HB VAL 11 HB VAL 11 5.913 8.641 -12.893 114 HG11 VAL 11 1HG1 VAL 11 6.985 11.267 -11.908 115 HG12 VAL 11 2HG1 VAL 11 6.583 9.820 -10.981 116 HG13 VAL 11 3HG1 VAL 11 8.003 9.832 -12.028 117 HG21 VAL 11 3HG2 VAL 11 4.315 10.391 -12.208 118 HG22 VAL 11 1HG2 VAL 11 5.034 11.483 -13.391 119 HG23 VAL 11 2HG2 VAL 11 4.210 10.020 -13.928 120 H ILE 12 H ILE 12 9.350 10.031 -13.741 121 HA ILE 12 HA ILE 12 9.603 12.706 -13.134 122 HB ILE 12 HB ILE 12 12.040 12.423 -13.859 123 HG12 ILE 12 2HG1 ILE 12 11.755 9.512 -13.866 124 HG13 ILE 12 3HG1 ILE 12 11.010 10.278 -15.265 125 HG21 ILE 12 1HG2 ILE 12 10.559 11.025 -11.735 126 HG22 ILE 12 2HG2 ILE 12 12.197 10.444 -12.030 127 HG23 ILE 12 3HG2 ILE 12 11.923 12.139 -11.627 128 HD11 ILE 12 3HD1 ILE 12 13.381 9.565 -15.573 129 HD12 ILE 12 1HD1 ILE 12 13.066 11.266 -15.916 130 HD13 ILE 12 2HD1 ILE 12 13.839 10.800 -14.400 Start of MODEL 14 1 H1 VAL 1 H VAL 1 5.299 -2.299 1.663 2 HA VAL 1 HA VAL 1 4.761 -2.636 -0.788 3 HB VAL 1 HB VAL 1 2.301 -2.210 -0.556 4 HG11 VAL 1 1HG1 VAL 1 2.999 -3.556 1.964 5 HG12 VAL 1 2HG1 VAL 1 2.069 -4.139 0.583 6 HG13 VAL 1 3HG1 VAL 1 3.833 -4.157 0.531 7 HG21 VAL 1 3HG2 VAL 1 3.027 -0.296 1.238 8 HG22 VAL 1 1HG2 VAL 1 1.411 -0.989 1.106 9 HG23 VAL 1 2HG2 VAL 1 2.542 -1.612 2.306 10 H PHE 2 H PHE 2 6.259 -0.301 -0.908 11 HA PHE 2 HA PHE 2 4.459 1.577 -2.287 12 HB2 PHE 2 2HB PHE 2 7.073 1.999 -0.853 13 HB3 PHE 2 3HB PHE 2 6.448 3.182 -1.998 14 HD1 PHE 2 HD1 PHE 2 3.672 3.390 -1.505 15 HD2 PHE 2 HD2 PHE 2 6.809 2.739 1.297 16 HE1 PHE 2 HE1 PHE 2 2.286 4.379 0.271 17 HE2 PHE 2 HE2 PHE 2 5.428 3.725 3.078 18 HZ PHE 2 HZ PHE 2 3.163 4.546 2.567 19 H ARG 3 H ARG 3 4.496 1.342 -4.416 20 HA ARG 3 HA ARG 3 7.042 0.610 -5.707 21 HB2 ARG 3 2HB ARG 3 4.205 -0.136 -6.310 22 HB3 ARG 3 3HB ARG 3 5.384 -0.090 -7.614 23 HG2 ARG 3 2HG ARG 3 5.801 -1.675 -5.096 24 HG3 ARG 3 3HG ARG 3 5.007 -2.331 -6.530 25 HD2 ARG 3 2HD ARG 3 6.986 -1.952 -7.853 26 HD3 ARG 3 3HD ARG 3 7.776 -1.138 -6.503 27 HE ARG 3 HE ARG 3 7.556 -3.964 -6.927 28 HH11 ARG 3 1HH1 ARG 3 7.896 -1.468 -4.524 29 HH12 ARG 3 2HH1 ARG 3 8.647 -2.509 -3.361 30 HH21 ARG 3 2HH2 ARG 3 9.016 -4.714 -3.862 31 HH22 ARG 3 1HH2 ARG 3 8.544 -5.345 -5.404 32 H LEU 4 H LEU 4 7.067 3.145 -5.300 33 HA LEU 4 HA LEU 4 5.964 4.448 -7.700 34 HB2 LEU 4 2HB LEU 4 5.803 6.451 -6.540 35 HB3 LEU 4 3HB LEU 4 5.299 5.244 -5.359 36 HG LEU 4 HG LEU 4 7.981 5.478 -4.846 37 HD11 LEU 4 1HD1 LEU 4 7.291 8.310 -4.845 38 HD12 LEU 4 2HD1 LEU 4 7.482 7.634 -6.462 39 HD13 LEU 4 3HD1 LEU 4 8.796 7.507 -5.293 40 HD21 LEU 4 3HD2 LEU 4 7.170 6.957 -2.937 41 HD22 LEU 4 1HD2 LEU 4 6.427 5.365 -3.091 42 HD23 LEU 4 2HD2 LEU 4 5.564 6.798 -3.648 43 H LYS 5 H LYS 5 8.644 2.986 -6.903 44 HA LYS 5 HA LYS 5 10.499 5.086 -7.767 45 HB2 LYS 5 2HB LYS 5 12.277 3.554 -7.053 46 HB3 LYS 5 3HB LYS 5 11.132 3.857 -5.752 47 HG2 LYS 5 2HG LYS 5 10.066 1.713 -6.165 48 HG3 LYS 5 3HG LYS 5 11.170 1.410 -7.508 49 HD2 LYS 5 2HD LYS 5 12.252 0.266 -5.849 50 HD3 LYS 5 3HD LYS 5 12.994 1.855 -5.648 51 HE2 LYS 5 2HE LYS 5 10.628 1.877 -4.126 52 HE3 LYS 5 3HE LYS 5 11.418 0.336 -3.794 53 HZ1 LYS 5 3HZ LYS 5 12.434 3.067 -3.336 54 HZ2 LYS 5 1HZ LYS 5 13.505 1.766 -3.489 55 HZ3 LYS 5 2HZ LYS 5 12.349 1.769 -2.255 56 H LYS 6 H LYS 6 8.573 2.908 -9.193 57 HA LYS 6 HA LYS 6 10.530 2.168 -11.262 58 HB2 LYS 6 2HB LYS 6 8.696 0.557 -11.988 59 HB3 LYS 6 3HB LYS 6 9.490 0.207 -10.458 60 HG2 LYS 6 2HG LYS 6 7.616 0.524 -9.262 61 HG3 LYS 6 3HG LYS 6 7.081 1.877 -10.261 62 HD2 LYS 6 2HD LYS 6 5.498 0.219 -10.690 63 HD3 LYS 6 3HD LYS 6 6.610 0.090 -12.054 64 HE2 LYS 6 2HE LYS 6 7.785 -1.618 -10.348 65 HE3 LYS 6 3HE LYS 6 6.112 -1.778 -9.818 66 HZ1 LYS 6 3HZ LYS 6 5.682 -3.036 -11.571 67 HZ2 LYS 6 1HZ LYS 6 7.314 -2.974 -12.013 68 HZ3 LYS 6 2HZ LYS 6 6.226 -1.839 -12.634 69 H TRP 7 H TRP 7 7.666 3.994 -10.618 70 HA TRP 7 HA TRP 7 7.245 4.503 -13.473 71 HB2 TRP 7 2HB TRP 7 5.079 5.151 -12.972 72 HB3 TRP 7 3HB TRP 7 5.369 3.938 -11.729 73 HD1 TRP 7 HD1 TRP 7 6.886 5.578 -9.564 74 HE1 TRP 7 HE1 TRP 7 5.712 7.476 -8.281 75 HE3 TRP 7 HE3 TRP 7 3.120 6.585 -12.872 76 HZ2 TRP 7 HZ2 TRP 7 3.484 9.174 -8.626 77 HZ3 TRP 7 HZ3 TRP 7 1.509 8.360 -12.320 78 HH2 TRP 7 HH2 TRP 7 1.688 9.627 -10.240 79 H ILE 8 H ILE 8 8.588 5.902 -10.654 80 HA ILE 8 HA ILE 8 8.279 8.638 -11.216 81 HB ILE 8 HB ILE 8 9.013 8.016 -9.037 82 HG12 ILE 8 2HG1 ILE 8 10.101 10.055 -10.382 83 HG13 ILE 8 3HG1 ILE 8 10.533 9.693 -8.714 84 HG21 ILE 8 1HG2 ILE 8 11.240 6.971 -8.662 85 HG22 ILE 8 2HG2 ILE 8 10.091 5.927 -9.498 86 HG23 ILE 8 3HG2 ILE 8 11.371 6.733 -10.405 87 HD11 ILE 8 3HD1 ILE 8 12.398 10.149 -10.424 88 HD12 ILE 8 1HD1 ILE 8 12.579 8.796 -9.307 89 HD13 ILE 8 2HD1 ILE 8 12.080 8.504 -10.974 90 H GLN 9 H GLN 9 10.736 6.299 -12.203 91 HA GLN 9 HA GLN 9 12.562 8.050 -13.371 92 HB2 GLN 9 2HB GLN 9 11.878 5.170 -13.773 93 HB3 GLN 9 3HB GLN 9 12.951 5.951 -14.927 94 HG2 GLN 9 2HG GLN 9 14.642 6.171 -13.424 95 HG3 GLN 9 3HG GLN 9 13.550 6.289 -12.045 96 HE21 GLN 9 2HE2 GLN 9 13.081 2.676 -11.963 97 HE22 GLN 9 1HE2 GLN 9 12.107 4.100 -12.047 98 H LYS 10 H LYS 10 9.416 7.152 -14.378 99 HA LYS 10 HA LYS 10 9.894 8.188 -17.087 100 HB2 LYS 10 2HB LYS 10 7.617 6.551 -15.961 101 HB3 LYS 10 3HB LYS 10 7.646 7.201 -17.595 102 HG2 LYS 10 2HG LYS 10 8.340 4.991 -17.832 103 HG3 LYS 10 3HG LYS 10 9.837 5.924 -17.879 104 HD2 LYS 10 2HD LYS 10 10.629 4.833 -16.109 105 HD3 LYS 10 3HD LYS 10 9.191 5.233 -15.166 106 HE2 LYS 10 2HE LYS 10 8.238 3.221 -15.528 107 HE3 LYS 10 3HE LYS 10 8.833 3.122 -17.185 108 HZ1 LYS 10 3HZ LYS 10 10.590 1.936 -16.546 109 HZ2 LYS 10 1HZ LYS 10 9.777 1.697 -15.081 110 HZ3 LYS 10 2HZ LYS 10 10.919 2.937 -15.222 111 H VAL 11 H VAL 11 7.983 8.643 -14.178 112 HA VAL 11 HA VAL 11 6.323 10.704 -15.263 113 HB VAL 11 HB VAL 11 6.897 9.947 -12.396 114 HG11 VAL 11 1HG1 VAL 11 4.833 11.830 -13.532 115 HG12 VAL 11 2HG1 VAL 11 4.873 11.261 -11.862 116 HG13 VAL 11 3HG1 VAL 11 6.189 12.255 -12.489 117 HG21 VAL 11 3HG2 VAL 11 5.209 8.828 -14.448 118 HG22 VAL 11 1HG2 VAL 11 5.559 8.223 -12.828 119 HG23 VAL 11 2HG2 VAL 11 4.249 9.377 -13.074 120 H ILE 12 H ILE 12 9.485 10.583 -13.900 121 HA ILE 12 HA ILE 12 9.799 13.121 -12.836 122 HB ILE 12 HB ILE 12 11.529 11.399 -12.675 123 HG12 ILE 12 2HG1 ILE 12 12.932 13.576 -14.141 124 HG13 ILE 12 3HG1 ILE 12 11.931 14.042 -12.770 125 HG21 ILE 12 1HG2 ILE 12 11.182 10.727 -15.140 126 HG22 ILE 12 2HG2 ILE 12 12.360 11.990 -15.490 127 HG23 ILE 12 3HG2 ILE 12 12.806 10.631 -14.459 128 HD11 ILE 12 3HD1 ILE 12 14.038 11.917 -12.574 129 HD12 ILE 12 1HD1 ILE 12 14.378 13.627 -12.309 130 HD13 ILE 12 2HD1 ILE 12 13.229 12.785 -11.269 Start of MODEL 15 1 H1 VAL 1 H VAL 1 10.266 2.857 -0.576 2 HA VAL 1 HA VAL 1 9.431 1.232 1.678 3 HB VAL 1 HB VAL 1 8.550 4.005 0.859 4 HG11 VAL 1 1HG1 VAL 1 7.987 2.318 3.279 5 HG12 VAL 1 2HG1 VAL 1 7.868 4.078 3.320 6 HG13 VAL 1 3HG1 VAL 1 6.845 3.149 2.223 7 HG21 VAL 1 3HG2 VAL 1 10.002 4.665 2.823 8 HG22 VAL 1 1HG2 VAL 1 10.665 3.032 2.765 9 HG23 VAL 1 2HG2 VAL 1 10.856 4.111 1.383 10 H PHE 2 H PHE 2 7.947 2.705 -1.192 11 HA PHE 2 HA PHE 2 5.662 0.878 -0.836 12 HB2 PHE 2 2HB PHE 2 5.690 3.719 -1.088 13 HB3 PHE 2 3HB PHE 2 4.938 3.049 -2.532 14 HD1 PHE 2 HD1 PHE 2 4.027 4.543 0.266 15 HD2 PHE 2 HD2 PHE 2 3.503 0.744 -1.580 16 HE1 PHE 2 HE1 PHE 2 1.928 4.231 1.512 17 HE2 PHE 2 HE2 PHE 2 1.403 0.426 -0.339 18 HZ PHE 2 HZ PHE 2 0.612 2.171 1.209 19 H ARG 3 H ARG 3 4.424 1.153 -3.237 20 HA ARG 3 HA ARG 3 6.370 -0.077 -5.050 21 HB2 ARG 3 2HB ARG 3 3.867 -0.899 -4.288 22 HB3 ARG 3 3HB ARG 3 3.542 -0.124 -5.832 23 HG2 ARG 3 2HG ARG 3 5.517 -2.343 -5.346 24 HG3 ARG 3 3HG ARG 3 3.936 -2.501 -6.113 25 HD2 ARG 3 2HD ARG 3 4.640 -1.070 -7.933 26 HD3 ARG 3 3HD ARG 3 6.190 -0.784 -7.144 27 HE ARG 3 HE ARG 3 5.430 -3.082 -8.687 28 HH11 ARG 3 1HH1 ARG 3 7.520 -1.902 -6.165 29 HH12 ARG 3 2HH1 ARG 3 8.723 -3.125 -6.411 30 HH21 ARG 3 2HH2 ARG 3 8.430 -4.714 -8.036 31 HH22 ARG 3 1HH2 ARG 3 7.006 -4.697 -9.020 32 H LEU 4 H LEU 4 6.192 2.811 -4.673 33 HA LEU 4 HA LEU 4 5.284 3.624 -7.354 34 HB2 LEU 4 2HB LEU 4 4.931 5.822 -6.521 35 HB3 LEU 4 3HB LEU 4 4.144 4.696 -5.417 36 HG LEU 4 HG LEU 4 6.500 4.981 -4.159 37 HD11 LEU 4 1HD1 LEU 4 6.506 7.723 -4.400 38 HD12 LEU 4 2HD1 LEU 4 6.350 7.169 -6.066 39 HD13 LEU 4 3HD1 LEU 4 7.702 6.617 -5.077 40 HD21 LEU 4 3HD2 LEU 4 5.306 6.850 -2.868 41 HD22 LEU 4 1HD2 LEU 4 4.521 5.274 -2.960 42 HD23 LEU 4 2HD2 LEU 4 3.975 6.592 -3.997 43 H LYS 5 H LYS 5 7.964 2.618 -6.030 44 HA LYS 5 HA LYS 5 9.710 4.786 -6.935 45 HB2 LYS 5 2HB LYS 5 11.518 3.508 -5.869 46 HB3 LYS 5 3HB LYS 5 10.206 3.836 -4.744 47 HG2 LYS 5 2HG LYS 5 9.522 1.631 -4.690 48 HG3 LYS 5 3HG LYS 5 10.284 1.250 -6.236 49 HD2 LYS 5 2HD LYS 5 12.141 0.589 -5.206 50 HD3 LYS 5 3HD LYS 5 12.272 2.139 -4.371 51 HE2 LYS 5 2HE LYS 5 10.882 1.369 -2.584 52 HE3 LYS 5 3HE LYS 5 10.486 -0.109 -3.459 53 HZ1 LYS 5 3HZ LYS 5 12.108 -0.733 -1.925 54 HZ2 LYS 5 1HZ LYS 5 13.053 0.643 -2.201 55 HZ3 LYS 5 2HZ LYS 5 12.967 -0.573 -3.374 56 H LYS 6 H LYS 6 8.178 2.305 -8.336 57 HA LYS 6 HA LYS 6 10.436 1.550 -10.062 58 HB2 LYS 6 2HB LYS 6 9.351 -0.368 -9.098 59 HB3 LYS 6 3HB LYS 6 7.765 0.225 -9.576 60 HG2 LYS 6 2HG LYS 6 9.536 -0.043 -11.848 61 HG3 LYS 6 3HG LYS 6 9.359 -1.561 -10.964 62 HD2 LYS 6 2HD LYS 6 7.353 -1.865 -11.871 63 HD3 LYS 6 3HD LYS 6 6.796 -0.341 -11.175 64 HE2 LYS 6 2HE LYS 6 6.537 -0.459 -13.639 65 HE3 LYS 6 3HE LYS 6 7.552 0.878 -13.101 66 HZ1 LYS 6 3HZ LYS 6 8.361 -0.503 -15.060 67 HZ2 LYS 6 1HZ LYS 6 8.721 -1.707 -13.927 68 HZ3 LYS 6 2HZ LYS 6 9.473 -0.196 -13.822 69 H TRP 7 H TRP 7 7.384 3.177 -9.979 70 HA TRP 7 HA TRP 7 7.328 3.393 -12.902 71 HB2 TRP 7 2HB TRP 7 5.075 3.752 -12.768 72 HB3 TRP 7 3HB TRP 7 5.285 2.867 -11.260 73 HD1 TRP 7 HD1 TRP 7 5.991 4.799 -9.130 74 HE1 TRP 7 HE1 TRP 7 4.592 6.877 -8.540 75 HE3 TRP 7 HE3 TRP 7 3.436 5.332 -13.526 76 HZ2 TRP 7 HZ2 TRP 7 2.660 8.524 -9.775 77 HZ3 TRP 7 HZ3 TRP 7 1.831 7.185 -13.740 78 HH2 TRP 7 HH2 TRP 7 1.452 8.746 -11.902 79 H ILE 8 H ILE 8 8.104 5.160 -10.064 80 HA ILE 8 HA ILE 8 7.666 7.791 -10.894 81 HB ILE 8 HB ILE 8 8.214 7.406 -8.609 82 HG12 ILE 8 2HG1 ILE 8 9.273 9.427 -10.009 83 HG13 ILE 8 3HG1 ILE 8 9.542 9.237 -8.280 84 HG21 ILE 8 1HG2 ILE 8 10.810 6.254 -9.617 85 HG22 ILE 8 2HG2 ILE 8 10.459 6.593 -7.923 86 HG23 ILE 8 3HG2 ILE 8 9.508 5.392 -8.797 87 HD11 ILE 8 3HD1 ILE 8 11.707 8.470 -8.577 88 HD12 ILE 8 1HD1 ILE 8 11.425 8.030 -10.261 89 HD13 ILE 8 2HD1 ILE 8 11.548 9.728 -9.802 90 H GLN 9 H GLN 9 10.421 5.639 -11.421 91 HA GLN 9 HA GLN 9 12.166 7.497 -12.576 92 HB2 GLN 9 2HB GLN 9 11.954 4.579 -12.415 93 HB3 GLN 9 3HB GLN 9 12.754 5.145 -13.875 94 HG2 GLN 9 2HG GLN 9 14.087 6.635 -12.168 95 HG3 GLN 9 3HG GLN 9 13.595 5.377 -11.036 96 HE21 GLN 9 2HE2 GLN 9 15.421 2.813 -12.812 97 HE22 GLN 9 1HE2 GLN 9 13.854 3.090 -12.140 98 H LYS 10 H LYS 10 9.259 6.175 -13.754 99 HA LYS 10 HA LYS 10 9.936 6.865 -16.528 100 HB2 LYS 10 2HB LYS 10 8.574 4.687 -15.457 101 HB3 LYS 10 3HB LYS 10 7.302 5.700 -16.127 102 HG2 LYS 10 2HG LYS 10 9.722 4.714 -17.624 103 HG3 LYS 10 3HG LYS 10 8.096 4.036 -17.731 104 HD2 LYS 10 2HD LYS 10 7.423 5.628 -19.148 105 HD3 LYS 10 3HD LYS 10 8.136 6.911 -18.169 106 HE2 LYS 10 2HE LYS 10 9.599 5.149 -20.132 107 HE3 LYS 10 3HE LYS 10 9.143 6.832 -20.391 108 HZ1 LYS 10 3HZ LYS 10 10.521 7.309 -18.335 109 HZ2 LYS 10 1HZ LYS 10 11.370 6.891 -19.738 110 HZ3 LYS 10 2HZ LYS 10 11.151 5.748 -18.510 111 H VAL 11 H VAL 11 7.569 7.476 -13.974 112 HA VAL 11 HA VAL 11 5.986 9.292 -15.485 113 HB VAL 11 HB VAL 11 5.432 8.021 -13.263 114 HG11 VAL 11 1HG1 VAL 11 7.353 9.329 -12.128 115 HG12 VAL 11 2HG1 VAL 11 6.184 10.648 -12.040 116 HG13 VAL 11 3HG1 VAL 11 5.838 9.107 -11.254 117 HG21 VAL 11 3HG2 VAL 11 3.638 9.132 -14.135 118 HG22 VAL 11 1HG2 VAL 11 3.901 10.105 -12.688 119 HG23 VAL 11 2HG2 VAL 11 4.502 10.666 -14.248 120 H ILE 12 H ILE 12 8.918 9.588 -13.664 121 HA ILE 12 HA ILE 12 8.861 12.339 -13.097 122 HB ILE 12 HB ILE 12 10.492 10.823 -12.075 123 HG12 ILE 12 2HG1 ILE 12 12.103 12.804 -13.653 124 HG13 ILE 12 3HG1 ILE 12 10.880 13.367 -12.518 125 HG21 ILE 12 1HG2 ILE 12 12.095 10.829 -14.599 126 HG22 ILE 12 2HG2 ILE 12 12.190 9.742 -13.214 127 HG23 ILE 12 3HG2 ILE 12 10.842 9.614 -14.344 128 HD11 ILE 12 3HD1 ILE 12 12.579 13.332 -11.064 129 HD12 ILE 12 1HD1 ILE 12 12.226 11.607 -10.975 130 HD13 ILE 12 2HD1 ILE 12 13.517 12.190 -12.026 Start of MODEL 16 1 H1 VAL 1 H VAL 1 3.119 -2.083 -1.040 2 HA VAL 1 HA VAL 1 2.211 -0.778 -2.692 3 HB VAL 1 HB VAL 1 0.450 0.930 -2.077 4 HG11 VAL 1 1HG1 VAL 1 -1.129 -0.649 -2.351 5 HG12 VAL 1 2HG1 VAL 1 0.253 -1.731 -2.533 6 HG13 VAL 1 3HG1 VAL 1 -0.566 -1.599 -0.976 7 HG21 VAL 1 3HG2 VAL 1 0.576 -0.417 0.618 8 HG22 VAL 1 1HG2 VAL 1 1.211 1.192 0.278 9 HG23 VAL 1 2HG2 VAL 1 -0.517 0.875 0.120 10 H PHE 2 H PHE 2 4.576 -0.141 -1.035 11 HA PHE 2 HA PHE 2 4.640 2.785 -1.336 12 HB2 PHE 2 2HB PHE 2 6.174 0.891 0.425 13 HB3 PHE 2 3HB PHE 2 6.786 2.507 0.085 14 HD1 PHE 2 HD1 PHE 2 4.543 4.238 0.190 15 HD2 PHE 2 HD2 PHE 2 5.340 0.790 2.555 16 HE1 PHE 2 HE1 PHE 2 3.134 5.151 1.988 17 HE2 PHE 2 HE2 PHE 2 3.931 1.697 4.357 18 HZ PHE 2 HZ PHE 2 2.825 3.879 4.075 19 H ARG 3 H ARG 3 4.975 0.756 -3.473 20 HA ARG 3 HA ARG 3 7.791 0.997 -4.181 21 HB2 ARG 3 2HB ARG 3 5.522 -0.682 -5.036 22 HB3 ARG 3 3HB ARG 3 6.634 -0.222 -6.319 23 HG2 ARG 3 2HG ARG 3 7.415 -1.581 -3.748 24 HG3 ARG 3 3HG ARG 3 7.204 -2.380 -5.307 25 HD2 ARG 3 2HD ARG 3 8.970 -0.090 -5.491 26 HD3 ARG 3 3HD ARG 3 9.543 -1.268 -4.311 27 HE ARG 3 HE ARG 3 9.425 -1.587 -7.170 28 HH11 ARG 3 1HH1 ARG 3 9.551 -3.213 -4.094 29 HH12 ARG 3 2HH1 ARG 3 10.220 -4.672 -4.745 30 HH21 ARG 3 2HH2 ARG 3 10.650 -4.836 -6.989 31 HH22 ARG 3 1HH2 ARG 3 10.306 -3.503 -8.039 32 H LEU 4 H LEU 4 7.694 3.337 -4.396 33 HA LEU 4 HA LEU 4 6.389 4.222 -6.882 34 HB2 LEU 4 2HB LEU 4 6.174 6.353 -6.004 35 HB3 LEU 4 3HB LEU 4 5.842 5.310 -4.622 36 HG LEU 4 HG LEU 4 8.534 5.766 -4.379 37 HD11 LEU 4 1HD1 LEU 4 8.317 8.434 -4.481 38 HD12 LEU 4 2HD1 LEU 4 7.299 8.003 -5.855 39 HD13 LEU 4 3HD1 LEU 4 8.977 7.464 -5.799 40 HD21 LEU 4 3HD2 LEU 4 6.879 5.806 -2.590 41 HD22 LEU 4 1HD2 LEU 4 6.258 7.346 -3.186 42 HD23 LEU 4 2HD2 LEU 4 7.896 7.247 -2.540 43 H LYS 5 H LYS 5 9.191 3.016 -6.085 44 HA LYS 5 HA LYS 5 10.873 5.058 -7.345 45 HB2 LYS 5 2HB LYS 5 12.763 3.609 -6.618 46 HB3 LYS 5 3HB LYS 5 11.767 4.185 -5.287 47 HG2 LYS 5 2HG LYS 5 10.647 2.035 -5.165 48 HG3 LYS 5 3HG LYS 5 11.586 1.452 -6.541 49 HD2 LYS 5 2HD LYS 5 13.333 0.955 -5.245 50 HD3 LYS 5 3HD LYS 5 13.287 2.536 -4.461 51 HE2 LYS 5 2HE LYS 5 11.281 1.590 -3.155 52 HE3 LYS 5 3HE LYS 5 11.845 0.015 -3.711 53 HZ1 LYS 5 3HZ LYS 5 13.155 0.060 -1.929 54 HZ2 LYS 5 1HZ LYS 5 12.909 1.712 -1.661 55 HZ3 LYS 5 2HZ LYS 5 14.094 1.200 -2.754 56 H LYS 6 H LYS 6 8.990 2.579 -8.311 57 HA LYS 6 HA LYS 6 10.832 1.668 -10.411 58 HB2 LYS 6 2HB LYS 6 9.850 -0.158 -9.202 59 HB3 LYS 6 3HB LYS 6 8.237 0.522 -9.377 60 HG2 LYS 6 2HG LYS 6 9.609 0.020 -11.913 61 HG3 LYS 6 3HG LYS 6 9.295 -1.426 -10.950 62 HD2 LYS 6 2HD LYS 6 7.161 -1.393 -11.570 63 HD3 LYS 6 3HD LYS 6 6.974 0.227 -10.893 64 HE2 LYS 6 2HE LYS 6 7.237 1.248 -12.911 65 HE3 LYS 6 3HE LYS 6 8.317 -0.002 -13.526 66 HZ1 LYS 6 3HZ LYS 6 5.892 -1.244 -13.183 67 HZ2 LYS 6 1HZ LYS 6 6.584 -0.767 -14.652 68 HZ3 LYS 6 2HZ LYS 6 5.505 0.261 -13.851 69 H TRP 7 H TRP 7 7.940 3.477 -9.828 70 HA TRP 7 HA TRP 7 7.356 3.619 -12.698 71 HB2 TRP 7 2HB TRP 7 5.191 4.243 -12.162 72 HB3 TRP 7 3HB TRP 7 5.592 3.195 -10.805 73 HD1 TRP 7 HD1 TRP 7 7.104 5.092 -8.890 74 HE1 TRP 7 HE1 TRP 7 5.926 7.097 -7.787 75 HE3 TRP 7 HE3 TRP 7 3.228 5.662 -12.174 76 HZ2 TRP 7 HZ2 TRP 7 3.654 8.707 -8.249 77 HZ3 TRP 7 HZ3 TRP 7 1.596 7.458 -11.771 78 HH2 TRP 7 HH2 TRP 7 1.806 8.948 -9.848 79 H ILE 8 H ILE 8 8.758 5.401 -10.129 80 HA ILE 8 HA ILE 8 8.305 8.035 -10.963 81 HB ILE 8 HB ILE 8 9.242 7.598 -8.786 82 HG12 ILE 8 2HG1 ILE 8 10.915 9.298 -8.719 83 HG13 ILE 8 3HG1 ILE 8 11.398 8.983 -10.382 84 HG21 ILE 8 1HG2 ILE 8 10.536 5.584 -9.475 85 HG22 ILE 8 2HG2 ILE 8 11.754 6.659 -10.158 86 HG23 ILE 8 3HG2 ILE 8 11.427 6.686 -8.426 87 HD11 ILE 8 3HD1 ILE 8 9.261 9.848 -11.168 88 HD12 ILE 8 1HD1 ILE 8 8.769 10.154 -9.503 89 HD13 ILE 8 2HD1 ILE 8 10.125 11.042 -10.200 90 H GLN 9 H GLN 9 10.819 5.716 -11.868 91 HA GLN 9 HA GLN 9 12.488 7.359 -13.338 92 HB2 GLN 9 2HB GLN 9 11.892 4.481 -13.258 93 HB3 GLN 9 3HB GLN 9 12.550 5.043 -14.789 94 HG2 GLN 9 2HG GLN 9 14.249 4.218 -13.177 95 HG3 GLN 9 3HG GLN 9 14.513 5.870 -13.734 96 HE21 GLN 9 2HE2 GLN 9 13.355 5.197 -9.864 97 HE22 GLN 9 1HE2 GLN 9 12.946 4.073 -11.111 98 H LYS 10 H LYS 10 9.288 6.328 -14.048 99 HA LYS 10 HA LYS 10 9.540 7.196 -16.843 100 HB2 LYS 10 2HB LYS 10 8.183 5.043 -15.654 101 HB3 LYS 10 3HB LYS 10 6.929 6.173 -16.147 102 HG2 LYS 10 2HG LYS 10 9.083 5.064 -17.936 103 HG3 LYS 10 3HG LYS 10 7.407 4.513 -17.876 104 HD2 LYS 10 2HD LYS 10 6.670 6.252 -19.095 105 HD3 LYS 10 3HD LYS 10 7.713 7.403 -18.257 106 HE2 LYS 10 2HE LYS 10 8.632 5.471 -20.383 107 HE3 LYS 10 3HE LYS 10 8.242 7.167 -20.667 108 HZ1 LYS 10 3HZ LYS 10 10.112 7.872 -19.605 109 HZ2 LYS 10 1HZ LYS 10 10.686 6.396 -20.198 110 HZ3 LYS 10 2HZ LYS 10 10.198 6.526 -18.584 111 H VAL 11 H VAL 11 7.911 7.874 -13.818 112 HA VAL 11 HA VAL 11 6.084 9.793 -14.879 113 HB VAL 11 HB VAL 11 7.045 9.343 -12.051 114 HG11 VAL 11 1HG1 VAL 11 6.287 11.619 -12.253 115 HG12 VAL 11 2HG1 VAL 11 4.825 11.099 -13.092 116 HG13 VAL 11 3HG1 VAL 11 5.065 10.682 -11.395 117 HG21 VAL 11 3HG2 VAL 11 5.731 7.544 -12.200 118 HG22 VAL 11 1HG2 VAL 11 4.372 8.668 -12.240 119 HG23 VAL 11 2HG2 VAL 11 5.062 8.064 -13.747 120 H ILE 12 H ILE 12 9.391 9.877 -13.873 121 HA ILE 12 HA ILE 12 9.793 12.489 -13.122 122 HB ILE 12 HB ILE 12 12.060 12.265 -14.286 123 HG12 ILE 12 2HG1 ILE 12 11.661 9.358 -14.487 124 HG13 ILE 12 3HG1 ILE 12 10.798 10.291 -15.705 125 HG21 ILE 12 1HG2 ILE 12 11.871 9.905 -12.576 126 HG22 ILE 12 2HG2 ILE 12 12.808 11.384 -12.370 127 HG23 ILE 12 3HG2 ILE 12 11.111 11.342 -11.894 128 HD11 ILE 12 3HD1 ILE 12 13.443 9.485 -15.786 129 HD12 ILE 12 1HD1 ILE 12 12.659 10.655 -16.847 130 HD13 ILE 12 2HD1 ILE 12 13.518 11.205 -15.408 Start of MODEL 17 1 H1 VAL 1 H VAL 1 4.104 4.088 0.971 2 HA VAL 1 HA VAL 1 4.628 4.733 -1.797 3 HB VAL 1 HB VAL 1 6.417 5.936 0.316 4 HG11 VAL 1 1HG1 VAL 1 6.608 5.546 -2.572 5 HG12 VAL 1 2HG1 VAL 1 6.904 7.209 -2.060 6 HG13 VAL 1 3HG1 VAL 1 7.868 5.893 -1.388 7 HG21 VAL 1 3HG2 VAL 1 5.539 8.117 -0.462 8 HG22 VAL 1 1HG2 VAL 1 4.339 7.256 -1.426 9 HG23 VAL 1 2HG2 VAL 1 4.316 7.125 0.333 10 H PHE 2 H PHE 2 4.726 2.391 -1.750 11 HA PHE 2 HA PHE 2 7.258 1.372 -0.639 12 HB2 PHE 2 2HB PHE 2 4.552 0.139 -0.924 13 HB3 PHE 2 3HB PHE 2 5.966 -0.904 -1.032 14 HD1 PHE 2 HD1 PHE 2 6.679 -1.899 0.902 15 HD2 PHE 2 HD2 PHE 2 4.660 1.841 1.135 16 HE1 PHE 2 HE1 PHE 2 6.799 -1.991 3.358 17 HE2 PHE 2 HE2 PHE 2 4.778 1.756 3.591 18 HZ PHE 2 HZ PHE 2 5.849 -0.161 4.706 19 H ARG 3 H ARG 3 5.019 1.090 -3.381 20 HA ARG 3 HA ARG 3 7.290 0.194 -5.032 21 HB2 ARG 3 2HB ARG 3 4.349 -0.450 -5.241 22 HB3 ARG 3 3HB ARG 3 5.494 -0.781 -6.534 23 HG2 ARG 3 2HG ARG 3 5.757 -1.869 -3.742 24 HG3 ARG 3 3HG ARG 3 4.981 -2.729 -5.073 25 HD2 ARG 3 2HD ARG 3 7.842 -1.776 -5.011 26 HD3 ARG 3 3HD ARG 3 7.304 -3.438 -4.775 27 HE ARG 3 HE ARG 3 6.282 -2.704 -7.206 28 HH11 ARG 3 1HH1 ARG 3 9.455 -2.834 -5.779 29 HH12 ARG 3 2HH1 ARG 3 10.260 -3.142 -7.282 30 HH21 ARG 3 2HH2 ARG 3 9.051 -3.298 -9.221 31 HH22 ARG 3 1HH2 ARG 3 7.330 -3.110 -9.190 32 H LEU 4 H LEU 4 7.192 2.829 -4.722 33 HA LEU 4 HA LEU 4 5.920 3.828 -7.186 34 HB2 LEU 4 2HB LEU 4 6.448 5.240 -4.580 35 HB3 LEU 4 3HB LEU 4 5.977 6.071 -6.060 36 HG LEU 4 HG LEU 4 4.293 3.958 -4.725 37 HD11 LEU 4 1HD1 LEU 4 3.113 5.584 -3.580 38 HD12 LEU 4 2HD1 LEU 4 3.729 6.891 -4.590 39 HD13 LEU 4 3HD1 LEU 4 4.781 6.126 -3.400 40 HD21 LEU 4 3HD2 LEU 4 3.380 6.084 -6.628 41 HD22 LEU 4 1HD2 LEU 4 2.609 4.553 -6.212 42 HD23 LEU 4 2HD2 LEU 4 4.056 4.566 -7.220 43 H LYS 5 H LYS 5 8.735 2.775 -6.231 44 HA LYS 5 HA LYS 5 10.342 5.021 -7.216 45 HB2 LYS 5 2HB LYS 5 12.275 3.765 -6.364 46 HB3 LYS 5 3HB LYS 5 11.075 4.040 -5.108 47 HG2 LYS 5 2HG LYS 5 10.682 1.524 -6.513 48 HG3 LYS 5 3HG LYS 5 12.256 1.639 -5.721 49 HD2 LYS 5 2HD LYS 5 9.766 2.414 -4.251 50 HD3 LYS 5 3HD LYS 5 10.220 0.714 -4.397 51 HE2 LYS 5 2HE LYS 5 12.307 2.637 -3.524 52 HE3 LYS 5 3HE LYS 5 11.033 2.233 -2.374 53 HZ1 LYS 5 3HZ LYS 5 13.130 0.526 -3.500 54 HZ2 LYS 5 1HZ LYS 5 11.644 -0.188 -3.120 55 HZ3 LYS 5 2HZ LYS 5 12.534 0.602 -1.918 56 H LYS 6 H LYS 6 8.807 2.369 -8.417 57 HA LYS 6 HA LYS 6 10.874 1.777 -10.413 58 HB2 LYS 6 2HB LYS 6 9.983 -0.195 -9.377 59 HB3 LYS 6 3HB LYS 6 8.330 0.340 -9.651 60 HG2 LYS 6 2HG LYS 6 9.933 0.108 -12.087 61 HG3 LYS 6 3HG LYS 6 9.692 -1.412 -11.221 62 HD2 LYS 6 2HD LYS 6 7.620 -1.549 -12.013 63 HD3 LYS 6 3HD LYS 6 7.220 0.001 -11.271 64 HE2 LYS 6 2HE LYS 6 7.548 1.166 -13.206 65 HE3 LYS 6 3HE LYS 6 8.767 0.042 -13.804 66 HZ1 LYS 6 3HZ LYS 6 5.923 0.049 -14.221 67 HZ2 LYS 6 1HZ LYS 6 6.522 -1.464 -13.759 68 HZ3 LYS 6 2HZ LYS 6 7.147 -0.689 -15.126 69 H TRP 7 H TRP 7 7.784 3.276 -9.991 70 HA TRP 7 HA TRP 7 7.408 3.510 -12.889 71 HB2 TRP 7 2HB TRP 7 5.160 3.943 -12.494 72 HB3 TRP 7 3HB TRP 7 5.550 2.837 -11.180 73 HD1 TRP 7 HD1 TRP 7 6.784 4.746 -9.061 74 HE1 TRP 7 HE1 TRP 7 5.353 6.554 -7.917 75 HE3 TRP 7 HE3 TRP 7 3.050 5.144 -12.531 76 HZ2 TRP 7 HZ2 TRP 7 2.959 7.962 -8.418 77 HZ3 TRP 7 HZ3 TRP 7 1.227 6.745 -12.123 78 HH2 TRP 7 HH2 TRP 7 1.183 8.123 -10.108 79 H ILE 8 H ILE 8 8.452 5.282 -10.149 80 HA ILE 8 HA ILE 8 7.826 7.904 -10.906 81 HB ILE 8 HB ILE 8 8.642 7.446 -8.684 82 HG12 ILE 8 2HG1 ILE 8 10.144 9.280 -8.421 83 HG13 ILE 8 3HG1 ILE 8 10.773 9.087 -10.054 84 HG21 ILE 8 1HG2 ILE 8 10.866 6.708 -8.198 85 HG22 ILE 8 2HG2 ILE 8 10.158 5.587 -9.360 86 HG23 ILE 8 3HG2 ILE 8 11.321 6.797 -9.899 87 HD11 ILE 8 3HD1 ILE 8 7.994 9.985 -9.327 88 HD12 ILE 8 1HD1 ILE 8 9.311 11.017 -9.887 89 HD13 ILE 8 2HD1 ILE 8 8.626 9.798 -10.963 90 H GLN 9 H GLN 9 10.600 5.860 -11.711 91 HA GLN 9 HA GLN 9 12.213 7.710 -12.984 92 HB2 GLN 9 2HB GLN 9 11.879 4.791 -13.062 93 HB3 GLN 9 3HB GLN 9 12.585 5.477 -14.519 94 HG2 GLN 9 2HG GLN 9 14.237 4.734 -12.818 95 HG3 GLN 9 3HG GLN 9 14.389 6.423 -13.297 96 HE21 GLN 9 2HE2 GLN 9 13.042 5.492 -9.545 97 HE22 GLN 9 1HE2 GLN 9 12.827 4.387 -10.854 98 H LYS 10 H LYS 10 9.179 6.435 -13.975 99 HA LYS 10 HA LYS 10 9.548 7.478 -16.698 100 HB2 LYS 10 2HB LYS 10 7.769 5.398 -15.503 101 HB3 LYS 10 3HB LYS 10 7.207 6.263 -16.926 102 HG2 LYS 10 2HG LYS 10 8.330 4.118 -17.436 103 HG3 LYS 10 3HG LYS 10 9.087 5.515 -18.204 104 HD2 LYS 10 2HD LYS 10 10.781 5.559 -16.425 105 HD3 LYS 10 3HD LYS 10 10.029 4.143 -15.685 106 HE2 LYS 10 2HE LYS 10 11.483 2.966 -16.916 107 HE3 LYS 10 3HE LYS 10 10.397 3.312 -18.261 108 HZ1 LYS 10 3HZ LYS 10 12.998 3.914 -18.246 109 HZ2 LYS 10 1HZ LYS 10 12.348 5.374 -17.692 110 HZ3 LYS 10 2HZ LYS 10 11.848 4.735 -19.176 111 H VAL 11 H VAL 11 7.701 7.843 -13.762 112 HA VAL 11 HA VAL 11 5.732 9.602 -14.872 113 HB VAL 11 HB VAL 11 6.519 9.099 -12.000 114 HG11 VAL 11 1HG1 VAL 11 4.169 10.608 -13.138 115 HG12 VAL 11 2HG1 VAL 11 4.358 10.158 -11.443 116 HG13 VAL 11 3HG1 VAL 11 5.495 11.280 -12.190 117 HG21 VAL 11 3HG2 VAL 11 5.421 7.182 -12.281 118 HG22 VAL 11 1HG2 VAL 11 3.954 8.133 -12.509 119 HG23 VAL 11 2HG2 VAL 11 4.913 7.643 -13.905 120 H ILE 12 H ILE 12 8.936 9.963 -13.652 121 HA ILE 12 HA ILE 12 9.019 12.534 -12.695 122 HB ILE 12 HB ILE 12 11.348 12.640 -13.753 123 HG12 ILE 12 2HG1 ILE 12 11.262 9.728 -14.180 124 HG13 ILE 12 3HG1 ILE 12 10.377 10.667 -15.378 125 HG21 ILE 12 1HG2 ILE 12 10.404 11.461 -11.482 126 HG22 ILE 12 2HG2 ILE 12 11.322 10.149 -12.221 127 HG23 ILE 12 3HG2 ILE 12 12.109 11.688 -11.873 128 HD11 ILE 12 3HD1 ILE 12 12.793 12.000 -15.092 129 HD12 ILE 12 1HD1 ILE 12 13.214 10.288 -15.061 130 HD13 ILE 12 2HD1 ILE 12 12.307 10.949 -16.422 Start of MODEL 18 1 H1 VAL 1 H VAL 1 1.745 -0.199 -2.232 2 HA VAL 1 HA VAL 1 1.948 1.579 -3.824 3 HB VAL 1 HB VAL 1 1.414 3.896 -3.148 4 HG11 VAL 1 1HG1 VAL 1 -1.065 2.383 -2.537 5 HG12 VAL 1 2HG1 VAL 1 -0.793 3.700 -3.679 6 HG13 VAL 1 3HG1 VAL 1 -0.265 2.065 -4.076 7 HG21 VAL 1 3HG2 VAL 1 0.795 4.510 -1.069 8 HG22 VAL 1 1HG2 VAL 1 -0.141 3.038 -0.801 9 HG23 VAL 1 2HG2 VAL 1 1.611 3.020 -0.596 10 H PHE 2 H PHE 2 3.740 0.289 -2.016 11 HA PHE 2 HA PHE 2 5.461 2.407 -0.994 12 HB2 PHE 2 2HB PHE 2 5.749 -0.602 -0.858 13 HB3 PHE 2 3HB PHE 2 6.808 0.559 -0.063 14 HD1 PHE 2 HD1 PHE 2 5.309 2.411 1.307 15 HD2 PHE 2 HD2 PHE 2 4.282 -1.649 0.542 16 HE1 PHE 2 HE1 PHE 2 3.827 2.419 3.271 17 HE2 PHE 2 HE2 PHE 2 2.798 -1.647 2.505 18 HZ PHE 2 HZ PHE 2 2.569 0.389 3.872 19 H ARG 3 H ARG 3 5.194 0.269 -3.690 20 HA ARG 3 HA ARG 3 7.959 0.595 -4.499 21 HB2 ARG 3 2HB ARG 3 5.771 -0.588 -6.190 22 HB3 ARG 3 3HB ARG 3 7.496 -0.925 -6.237 23 HG2 ARG 3 2HG ARG 3 5.566 -1.736 -4.075 24 HG3 ARG 3 3HG ARG 3 6.325 -2.790 -5.269 25 HD2 ARG 3 2HD ARG 3 8.358 -1.317 -3.922 26 HD3 ARG 3 3HD ARG 3 7.291 -2.035 -2.716 27 HE ARG 3 HE ARG 3 8.026 -4.127 -3.341 28 HH11 ARG 3 1HH1 ARG 3 9.151 -1.743 -5.615 29 HH12 ARG 3 2HH1 ARG 3 10.241 -2.828 -6.413 30 HH21 ARG 3 2HH2 ARG 3 10.413 -5.002 -5.712 31 HH22 ARG 3 1HH2 ARG 3 9.457 -5.566 -4.383 32 H LEU 4 H LEU 4 7.900 2.931 -4.634 33 HA LEU 4 HA LEU 4 6.462 3.957 -6.986 34 HB2 LEU 4 2HB LEU 4 6.926 4.995 -4.358 35 HB3 LEU 4 3HB LEU 4 7.641 6.077 -5.551 36 HG LEU 4 HG LEU 4 5.238 5.777 -6.669 37 HD11 LEU 4 1HD1 LEU 4 4.220 4.320 -5.143 38 HD12 LEU 4 2HD1 LEU 4 3.581 5.913 -4.738 39 HD13 LEU 4 3HD1 LEU 4 4.853 5.195 -3.749 40 HD21 LEU 4 3HD2 LEU 4 6.303 7.890 -6.056 41 HD22 LEU 4 1HD2 LEU 4 5.844 7.637 -4.372 42 HD23 LEU 4 2HD2 LEU 4 4.599 7.874 -5.599 43 H LYS 5 H LYS 5 9.279 2.609 -6.447 44 HA LYS 5 HA LYS 5 10.954 4.611 -7.764 45 HB2 LYS 5 2HB LYS 5 11.907 1.888 -6.948 46 HB3 LYS 5 3HB LYS 5 12.814 3.391 -7.061 47 HG2 LYS 5 2HG LYS 5 11.178 4.123 -5.128 48 HG3 LYS 5 3HG LYS 5 11.077 2.379 -4.876 49 HD2 LYS 5 2HD LYS 5 13.805 3.359 -5.263 50 HD3 LYS 5 3HD LYS 5 13.005 4.029 -3.840 51 HE2 LYS 5 2HE LYS 5 13.199 2.104 -2.736 52 HE3 LYS 5 3HE LYS 5 12.509 1.194 -4.079 53 HZ1 LYS 5 3HZ LYS 5 15.098 1.946 -4.798 54 HZ2 LYS 5 1HZ LYS 5 14.512 0.388 -4.494 55 HZ3 LYS 5 2HZ LYS 5 15.183 1.299 -3.237 56 H LYS 6 H LYS 6 8.801 2.410 -8.753 57 HA LYS 6 HA LYS 6 10.390 1.513 -11.059 58 HB2 LYS 6 2HB LYS 6 7.831 0.465 -9.852 59 HB3 LYS 6 3HB LYS 6 8.435 -0.067 -11.416 60 HG2 LYS 6 2HG LYS 6 9.219 -1.699 -9.989 61 HG3 LYS 6 3HG LYS 6 10.607 -0.616 -10.128 62 HD2 LYS 6 2HD LYS 6 9.069 0.384 -8.010 63 HD3 LYS 6 3HD LYS 6 9.100 -1.367 -7.793 64 HE2 LYS 6 2HE LYS 6 11.522 0.385 -8.198 65 HE3 LYS 6 3HE LYS 6 10.964 -0.234 -6.645 66 HZ1 LYS 6 3HZ LYS 6 11.222 -2.349 -8.505 67 HZ2 LYS 6 1HZ LYS 6 12.003 -2.137 -7.020 68 HZ3 LYS 6 2HZ LYS 6 12.671 -1.478 -8.427 69 H TRP 7 H TRP 7 7.712 3.471 -10.085 70 HA TRP 7 HA TRP 7 6.884 3.870 -12.869 71 HB2 TRP 7 2HB TRP 7 4.817 4.445 -12.102 72 HB3 TRP 7 3HB TRP 7 5.333 3.500 -10.708 73 HD1 TRP 7 HD1 TRP 7 6.795 5.263 -8.849 74 HE1 TRP 7 HE1 TRP 7 5.874 7.475 -7.910 75 HE3 TRP 7 HE3 TRP 7 3.259 6.244 -12.408 76 HZ2 TRP 7 HZ2 TRP 7 3.907 9.383 -8.588 77 HZ3 TRP 7 HZ3 TRP 7 1.900 8.284 -12.189 78 HH2 TRP 7 HH2 TRP 7 2.218 9.819 -10.318 79 H ILE 8 H ILE 8 8.616 5.365 -10.307 80 HA ILE 8 HA ILE 8 8.311 8.073 -10.925 81 HB ILE 8 HB ILE 8 9.397 7.494 -8.885 82 HG12 ILE 8 2HG1 ILE 8 10.288 9.459 -10.470 83 HG13 ILE 8 3HG1 ILE 8 10.983 9.139 -8.885 84 HG21 ILE 8 1HG2 ILE 8 10.328 5.359 -9.472 85 HG22 ILE 8 2HG2 ILE 8 11.463 6.115 -10.590 86 HG23 ILE 8 3HG2 ILE 8 11.620 6.389 -8.855 87 HD11 ILE 8 3HD1 ILE 8 12.875 8.147 -9.780 88 HD12 ILE 8 1HD1 ILE 8 12.101 7.842 -11.335 89 HD13 ILE 8 2HD1 ILE 8 12.555 9.485 -10.882 90 H GLN 9 H GLN 9 10.528 5.649 -12.232 91 HA GLN 9 HA GLN 9 12.114 7.363 -13.780 92 HB2 GLN 9 2HB GLN 9 11.574 4.470 -13.670 93 HB3 GLN 9 3HB GLN 9 12.115 5.059 -15.236 94 HG2 GLN 9 2HG GLN 9 14.011 6.191 -13.953 95 HG3 GLN 9 3HG GLN 9 13.544 5.154 -12.606 96 HE21 GLN 9 2HE2 GLN 9 14.579 2.147 -14.217 97 HE22 GLN 9 1HE2 GLN 9 13.350 2.796 -13.191 98 H LYS 10 H LYS 10 8.863 6.440 -14.142 99 HA LYS 10 HA LYS 10 8.849 7.161 -16.989 100 HB2 LYS 10 2HB LYS 10 7.562 5.118 -15.608 101 HB3 LYS 10 3HB LYS 10 6.295 6.307 -15.882 102 HG2 LYS 10 2HG LYS 10 8.059 5.110 -18.010 103 HG3 LYS 10 3HG LYS 10 6.393 4.639 -17.665 104 HD2 LYS 10 2HD LYS 10 5.570 6.362 -18.826 105 HD3 LYS 10 3HD LYS 10 6.674 7.505 -18.058 106 HE2 LYS 10 2HE LYS 10 7.322 5.687 -20.377 107 HE3 LYS 10 3HE LYS 10 7.029 7.423 -20.470 108 HZ1 LYS 10 3HZ LYS 10 9.311 6.024 -19.206 109 HZ2 LYS 10 1HZ LYS 10 8.958 7.647 -18.881 110 HZ3 LYS 10 2HZ LYS 10 9.344 7.165 -20.455 111 H VAL 11 H VAL 11 7.340 7.940 -13.886 112 HA VAL 11 HA VAL 11 5.675 10.011 -14.906 113 HB VAL 11 HB VAL 11 5.504 8.711 -12.654 114 HG11 VAL 11 1HG1 VAL 11 7.844 9.664 -12.035 115 HG12 VAL 11 2HG1 VAL 11 6.932 11.098 -11.561 116 HG13 VAL 11 3HG1 VAL 11 6.595 9.545 -10.796 117 HG21 VAL 11 3HG2 VAL 11 4.759 11.487 -13.341 118 HG22 VAL 11 1HG2 VAL 11 3.744 10.111 -12.909 119 HG23 VAL 11 2HG2 VAL 11 4.579 11.021 -11.650 120 H ILE 12 H ILE 12 8.984 9.845 -13.897 121 HA ILE 12 HA ILE 12 9.511 12.481 -13.202 122 HB ILE 12 HB ILE 12 11.158 10.674 -12.969 123 HG12 ILE 12 2HG1 ILE 12 12.596 12.543 -14.758 124 HG13 ILE 12 3HG1 ILE 12 11.653 13.289 -13.472 125 HG21 ILE 12 1HG2 ILE 12 10.562 9.815 -15.359 126 HG22 ILE 12 2HG2 ILE 12 11.852 10.906 -15.863 127 HG23 ILE 12 3HG2 ILE 12 12.194 9.602 -14.726 128 HD11 ILE 12 3HD1 ILE 12 13.286 11.054 -12.565 129 HD12 ILE 12 1HD1 ILE 12 14.218 12.384 -13.252 130 HD13 ILE 12 2HD1 ILE 12 13.116 12.681 -11.907 Start of MODEL 19 1 H1 VAL 1 H VAL 1 0.466 3.828 -2.251 2 HA VAL 1 HA VAL 1 1.589 1.842 -1.552 3 HB VAL 1 HB VAL 1 2.462 0.835 -3.660 4 HG11 VAL 1 1HG1 VAL 1 0.319 0.968 -4.886 5 HG12 VAL 1 2HG1 VAL 1 0.104 0.697 -3.155 6 HG13 VAL 1 3HG1 VAL 1 -0.168 2.301 -3.839 7 HG21 VAL 1 3HG2 VAL 1 3.471 2.840 -4.619 8 HG22 VAL 1 1HG2 VAL 1 2.307 2.125 -5.734 9 HG23 VAL 1 2HG2 VAL 1 1.874 3.563 -4.810 10 H PHE 2 H PHE 2 3.676 0.558 -1.795 11 HA PHE 2 HA PHE 2 5.865 2.276 -0.948 12 HB2 PHE 2 2HB PHE 2 5.183 -0.601 -0.662 13 HB3 PHE 2 3HB PHE 2 6.895 -0.189 -0.693 14 HD1 PHE 2 HD1 PHE 2 7.288 2.118 0.796 15 HD2 PHE 2 HD2 PHE 2 4.371 -0.912 1.448 16 HE1 PHE 2 HE1 PHE 2 7.182 2.737 3.175 17 HE2 PHE 2 HE2 PHE 2 4.260 -0.297 3.828 18 HZ PHE 2 HZ PHE 2 5.666 1.530 4.694 19 H ARG 3 H ARG 3 4.916 0.333 -3.651 20 HA ARG 3 HA ARG 3 7.576 0.275 -4.803 21 HB2 ARG 3 2HB ARG 3 4.977 -0.981 -5.365 22 HB3 ARG 3 3HB ARG 3 5.900 -0.548 -6.798 23 HG2 ARG 3 2HG ARG 3 6.308 -2.855 -6.059 24 HG3 ARG 3 3HG ARG 3 7.771 -1.868 -6.047 25 HD2 ARG 3 2HD ARG 3 7.645 -1.604 -3.667 26 HD3 ARG 3 3HD ARG 3 6.064 -2.383 -3.618 27 HE ARG 3 HE ARG 3 7.101 -4.427 -3.702 28 HH11 ARG 3 1HH1 ARG 3 9.386 -1.935 -4.534 29 HH12 ARG 3 2HH1 ARG 3 10.753 -2.999 -4.511 30 HH21 ARG 3 2HH2 ARG 3 10.472 -5.218 -4.018 31 HH22 ARG 3 1HH2 ARG 3 8.893 -5.837 -3.668 32 H LEU 4 H LEU 4 7.846 2.605 -4.864 33 HA LEU 4 HA LEU 4 6.437 3.840 -7.139 34 HB2 LEU 4 2HB LEU 4 7.497 5.090 -4.615 35 HB3 LEU 4 3HB LEU 4 6.995 6.024 -6.023 36 HG LEU 4 HG LEU 4 5.153 4.165 -4.531 37 HD11 LEU 4 1HD1 LEU 4 6.149 6.146 -3.206 38 HD12 LEU 4 2HD1 LEU 4 4.402 5.911 -3.208 39 HD13 LEU 4 3HD1 LEU 4 5.127 7.142 -4.241 40 HD21 LEU 4 3HD2 LEU 4 4.543 6.466 -6.378 41 HD22 LEU 4 1HD2 LEU 4 3.409 5.292 -5.708 42 HD23 LEU 4 2HD2 LEU 4 4.611 4.779 -6.892 43 H LYS 5 H LYS 5 9.079 2.288 -6.739 44 HA LYS 5 HA LYS 5 10.936 4.303 -7.786 45 HB2 LYS 5 2HB LYS 5 11.578 1.469 -6.972 46 HB3 LYS 5 3HB LYS 5 12.710 2.787 -7.243 47 HG2 LYS 5 2HG LYS 5 10.656 2.731 -5.044 48 HG3 LYS 5 3HG LYS 5 12.346 2.259 -4.855 49 HD2 LYS 5 2HD LYS 5 13.113 4.446 -5.234 50 HD3 LYS 5 3HD LYS 5 11.569 4.959 -5.919 51 HE2 LYS 5 2HE LYS 5 10.623 4.397 -3.576 52 HE3 LYS 5 3HE LYS 5 12.305 4.480 -3.055 53 HZ1 LYS 5 3HZ LYS 5 10.561 6.588 -3.365 54 HZ2 LYS 5 1HZ LYS 5 11.634 6.717 -4.667 55 HZ3 LYS 5 2HZ LYS 5 12.227 6.681 -3.084 56 H LYS 6 H LYS 6 8.749 2.157 -8.942 57 HA LYS 6 HA LYS 6 10.364 1.412 -11.280 58 HB2 LYS 6 2HB LYS 6 7.701 0.358 -10.311 59 HB3 LYS 6 3HB LYS 6 8.506 -0.167 -11.784 60 HG2 LYS 6 2HG LYS 6 9.239 -1.804 -10.415 61 HG3 LYS 6 3HG LYS 6 10.487 -0.609 -10.056 62 HD2 LYS 6 2HD LYS 6 8.946 0.181 -8.179 63 HD3 LYS 6 3HD LYS 6 8.052 -1.319 -8.441 64 HE2 LYS 6 2HE LYS 6 9.678 -1.578 -6.647 65 HE3 LYS 6 3HE LYS 6 10.090 -2.605 -8.019 66 HZ1 LYS 6 3HZ LYS 6 12.064 -1.641 -8.108 67 HZ2 LYS 6 1HZ LYS 6 11.676 -0.672 -6.777 68 HZ3 LYS 6 2HZ LYS 6 11.355 -0.124 -8.344 69 H TRP 7 H TRP 7 7.695 3.348 -10.236 70 HA TRP 7 HA TRP 7 6.903 3.922 -12.995 71 HB2 TRP 7 2HB TRP 7 4.883 4.703 -12.175 72 HB3 TRP 7 3HB TRP 7 5.279 3.464 -10.987 73 HD1 TRP 7 HD1 TRP 7 7.185 4.962 -9.057 74 HE1 TRP 7 HE1 TRP 7 6.349 6.929 -7.623 75 HE3 TRP 7 HE3 TRP 7 3.088 6.292 -11.812 76 HZ2 TRP 7 HZ2 TRP 7 4.233 8.797 -7.655 77 HZ3 TRP 7 HZ3 TRP 7 1.711 8.180 -11.041 78 HH2 TRP 7 HH2 TRP 7 2.273 9.405 -9.005 79 H ILE 8 H ILE 8 8.718 5.226 -10.394 80 HA ILE 8 HA ILE 8 8.509 7.976 -10.926 81 HB ILE 8 HB ILE 8 9.506 7.301 -8.871 82 HG12 ILE 8 2HG1 ILE 8 10.516 9.272 -10.367 83 HG13 ILE 8 3HG1 ILE 8 11.160 8.878 -8.777 84 HG21 ILE 8 1HG2 ILE 8 11.562 5.881 -10.554 85 HG22 ILE 8 2HG2 ILE 8 11.693 6.116 -8.812 86 HG23 ILE 8 3HG2 ILE 8 10.375 5.149 -9.474 87 HD11 ILE 8 3HD1 ILE 8 12.287 7.604 -11.233 88 HD12 ILE 8 1HD1 ILE 8 12.785 9.222 -10.739 89 HD13 ILE 8 2HD1 ILE 8 13.037 7.852 -9.656 90 H GLN 9 H GLN 9 10.650 5.491 -12.239 91 HA GLN 9 HA GLN 9 12.412 7.105 -13.656 92 HB2 GLN 9 2HB GLN 9 13.134 5.184 -14.691 93 HB3 GLN 9 3HB GLN 9 12.303 4.498 -13.302 94 HG2 GLN 9 2HG GLN 9 10.294 4.196 -14.734 95 HG3 GLN 9 3HG GLN 9 11.256 4.727 -16.112 96 HE21 GLN 9 2HE2 GLN 9 12.172 1.142 -14.348 97 HE22 GLN 9 1HE2 GLN 9 11.564 2.452 -13.401 98 H LYS 10 H LYS 10 9.091 6.441 -14.231 99 HA LYS 10 HA LYS 10 9.265 7.538 -16.953 100 HB2 LYS 10 2HB LYS 10 8.102 5.452 -16.926 101 HB3 LYS 10 3HB LYS 10 7.121 5.943 -15.551 102 HG2 LYS 10 2HG LYS 10 5.879 5.967 -17.671 103 HG3 LYS 10 3HG LYS 10 5.949 7.556 -16.904 104 HD2 LYS 10 2HD LYS 10 6.334 7.768 -19.288 105 HD3 LYS 10 3HD LYS 10 7.809 8.168 -18.403 106 HE2 LYS 10 2HE LYS 10 7.502 5.345 -19.202 107 HE3 LYS 10 3HE LYS 10 7.727 6.497 -20.518 108 HZ1 LYS 10 3HZ LYS 10 9.537 5.974 -18.232 109 HZ2 LYS 10 1HZ LYS 10 9.694 7.336 -19.224 110 HZ3 LYS 10 2HZ LYS 10 9.862 5.787 -19.882 111 H VAL 11 H VAL 11 7.931 8.076 -13.773 112 HA VAL 11 HA VAL 11 6.196 10.220 -14.545 113 HB VAL 11 HB VAL 11 7.244 9.389 -11.838 114 HG11 VAL 11 1HG1 VAL 11 5.418 10.838 -10.948 115 HG12 VAL 11 2HG1 VAL 11 6.733 11.726 -11.719 116 HG13 VAL 11 3HG1 VAL 11 5.209 11.487 -12.575 117 HG21 VAL 11 3HG2 VAL 11 5.120 8.444 -13.537 118 HG22 VAL 11 1HG2 VAL 11 5.705 7.793 -12.006 119 HG23 VAL 11 2HG2 VAL 11 4.472 9.054 -12.014 120 H ILE 12 H ILE 12 9.542 9.929 -13.722 121 HA ILE 12 HA ILE 12 9.954 12.671 -13.016 122 HB ILE 12 HB ILE 12 11.461 10.863 -12.253 123 HG12 ILE 12 2HG1 ILE 12 13.134 12.697 -13.928 124 HG13 ILE 12 3HG1 ILE 12 12.102 13.378 -12.675 125 HG21 ILE 12 1HG2 ILE 12 11.397 10.007 -14.842 126 HG22 ILE 12 2HG2 ILE 12 12.984 10.769 -14.749 127 HG23 ILE 12 3HG2 ILE 12 12.560 9.475 -13.628 128 HD11 ILE 12 3HD1 ILE 12 14.659 12.124 -12.440 129 HD12 ILE 12 1HD1 ILE 12 13.713 12.977 -11.220 130 HD13 ILE 12 2HD1 ILE 12 13.468 11.249 -11.478 Start of MODEL 20 1 H1 VAL 1 H VAL 1 0.460 3.525 -1.901 2 HA VAL 1 HA VAL 1 1.611 1.639 -1.351 3 HB VAL 1 HB VAL 1 2.760 0.390 -3.226 4 HG11 VAL 1 1HG1 VAL 1 0.591 -0.143 -4.385 5 HG12 VAL 1 2HG1 VAL 1 0.550 -0.242 -2.623 6 HG13 VAL 1 3HG1 VAL 1 -0.143 1.157 -3.446 7 HG21 VAL 1 3HG2 VAL 1 2.676 2.836 -4.498 8 HG22 VAL 1 1HG2 VAL 1 3.047 1.285 -5.252 9 HG23 VAL 1 2HG2 VAL 1 1.401 1.915 -5.297 10 H PHE 2 H PHE 2 3.919 0.636 -1.469 11 HA PHE 2 HA PHE 2 5.761 2.791 -0.846 12 HB2 PHE 2 2HB PHE 2 5.355 0.168 0.112 13 HB3 PHE 2 3HB PHE 2 6.947 0.177 -0.639 14 HD1 PHE 2 HD1 PHE 2 8.416 2.297 -0.003 15 HD2 PHE 2 HD2 PHE 2 5.213 0.737 2.326 16 HE1 PHE 2 HE1 PHE 2 9.358 3.366 2.003 17 HE2 PHE 2 HE2 PHE 2 6.149 1.805 4.335 18 HZ PHE 2 HZ PHE 2 8.224 3.122 4.175 19 H ARG 3 H ARG 3 5.228 0.426 -3.330 20 HA ARG 3 HA ARG 3 7.852 0.711 -4.496 21 HB2 ARG 3 2HB ARG 3 6.217 -1.334 -4.586 22 HB3 ARG 3 3HB ARG 3 5.516 -0.472 -5.949 23 HG2 ARG 3 2HG ARG 3 7.017 -1.714 -7.088 24 HG3 ARG 3 3HG ARG 3 8.077 -0.365 -6.675 25 HD2 ARG 3 2HD ARG 3 9.429 -1.809 -5.665 26 HD3 ARG 3 3HD ARG 3 8.158 -2.103 -4.480 27 HE ARG 3 HE ARG 3 7.778 -4.136 -5.451 28 HH11 ARG 3 1HH1 ARG 3 9.608 -2.154 -7.652 29 HH12 ARG 3 2HH1 ARG 3 9.879 -3.435 -8.787 30 HH21 ARG 3 2HH2 ARG 3 9.035 -5.526 -8.380 31 HH22 ARG 3 1HH2 ARG 3 8.128 -5.831 -6.938 32 H LEU 4 H LEU 4 7.650 3.103 -4.607 33 HA LEU 4 HA LEU 4 6.248 3.920 -7.067 34 HB2 LEU 4 2HB LEU 4 5.725 5.984 -6.152 35 HB3 LEU 4 3HB LEU 4 5.450 4.863 -4.820 36 HG LEU 4 HG LEU 4 8.072 5.669 -4.463 37 HD11 LEU 4 1HD1 LEU 4 7.139 7.492 -6.227 38 HD12 LEU 4 2HD1 LEU 4 8.374 7.827 -5.013 39 HD13 LEU 4 3HD1 LEU 4 6.691 8.252 -4.700 40 HD21 LEU 4 3HD2 LEU 4 5.905 7.181 -3.113 41 HD22 LEU 4 1HD2 LEU 4 7.315 6.367 -2.434 42 HD23 LEU 4 2HD2 LEU 4 5.913 5.425 -2.943 43 H LYS 5 H LYS 5 9.105 2.989 -6.289 44 HA LYS 5 HA LYS 5 10.600 5.291 -7.324 45 HB2 LYS 5 2HB LYS 5 12.599 4.159 -6.537 46 HB3 LYS 5 3HB LYS 5 11.416 4.252 -5.238 47 HG2 LYS 5 2HG LYS 5 10.743 1.874 -6.032 48 HG3 LYS 5 3HG LYS 5 12.335 1.877 -6.794 49 HD2 LYS 5 2HD LYS 5 12.776 0.947 -4.718 50 HD3 LYS 5 3HD LYS 5 13.171 2.648 -4.461 51 HE2 LYS 5 2HE LYS 5 11.566 2.881 -2.929 52 HE3 LYS 5 3HE LYS 5 10.371 2.086 -3.953 53 HZ1 LYS 5 3HZ LYS 5 12.403 0.449 -2.609 54 HZ2 LYS 5 1HZ LYS 5 10.822 0.047 -3.056 55 HZ3 LYS 5 2HZ LYS 5 11.095 1.027 -1.705 56 H LYS 6 H LYS 6 9.005 2.756 -8.555 57 HA LYS 6 HA LYS 6 11.009 2.192 -10.634 58 HB2 LYS 6 2HB LYS 6 9.509 0.252 -11.197 59 HB3 LYS 6 3HB LYS 6 10.269 0.167 -9.613 60 HG2 LYS 6 2HG LYS 6 8.293 -0.030 -8.643 61 HG3 LYS 6 3HG LYS 6 7.756 1.490 -9.361 62 HD2 LYS 6 2HD LYS 6 6.736 0.447 -11.138 63 HD3 LYS 6 3HD LYS 6 7.793 -0.964 -11.053 64 HE2 LYS 6 2HE LYS 6 5.494 -1.482 -10.357 65 HE3 LYS 6 3HE LYS 6 6.655 -1.732 -9.055 66 HZ1 LYS 6 3HZ LYS 6 4.394 -0.379 -8.753 67 HZ2 LYS 6 1HZ LYS 6 5.421 0.896 -9.180 68 HZ3 LYS 6 2HZ LYS 6 5.783 -0.068 -7.838 69 H TRP 7 H TRP 7 7.905 3.586 -10.014 70 HA TRP 7 HA TRP 7 7.335 3.825 -12.877 71 HB2 TRP 7 2HB TRP 7 5.115 4.191 -12.332 72 HB3 TRP 7 3HB TRP 7 5.618 3.131 -11.018 73 HD1 TRP 7 HD1 TRP 7 6.930 5.111 -9.025 74 HE1 TRP 7 HE1 TRP 7 5.537 6.923 -7.840 75 HE3 TRP 7 HE3 TRP 7 2.994 5.365 -12.277 76 HZ2 TRP 7 HZ2 TRP 7 3.093 8.279 -8.232 77 HZ3 TRP 7 HZ3 TRP 7 1.169 6.945 -11.799 78 HH2 TRP 7 HH2 TRP 7 1.220 8.371 -9.818 79 H ILE 8 H ILE 8 8.515 5.622 -10.204 80 HA ILE 8 HA ILE 8 7.802 8.230 -10.963 81 HB ILE 8 HB ILE 8 8.661 7.911 -8.770 82 HG12 ILE 8 2HG1 ILE 8 9.461 9.943 -10.327 83 HG13 ILE 8 3HG1 ILE 8 9.933 9.801 -8.637 84 HG21 ILE 8 1HG2 ILE 8 11.019 7.204 -8.381 85 HG22 ILE 8 2HG2 ILE 8 9.995 5.949 -9.078 86 HG23 ILE 8 3HG2 ILE 8 11.136 6.824 -10.099 87 HD11 ILE 8 3HD1 ILE 8 12.064 8.948 -9.221 88 HD12 ILE 8 1HD1 ILE 8 11.593 8.749 -10.909 89 HD13 ILE 8 2HD1 ILE 8 11.776 10.366 -10.228 90 H GLN 9 H GLN 9 10.555 6.201 -11.849 91 HA GLN 9 HA GLN 9 12.096 8.085 -13.192 92 HB2 GLN 9 2HB GLN 9 11.765 5.120 -13.459 93 HB3 GLN 9 3HB GLN 9 12.761 5.992 -14.617 94 HG2 GLN 9 2HG GLN 9 14.389 5.536 -13.144 95 HG3 GLN 9 3HG GLN 9 13.765 6.970 -12.331 96 HE21 GLN 9 2HE2 GLN 9 12.886 3.267 -10.815 97 HE22 GLN 9 1HE2 GLN 9 13.161 3.478 -12.507 98 H LYS 10 H LYS 10 9.081 6.691 -14.056 99 HA LYS 10 HA LYS 10 9.347 7.643 -16.824 100 HB2 LYS 10 2HB LYS 10 7.659 5.562 -15.505 101 HB3 LYS 10 3HB LYS 10 7.035 6.360 -16.943 102 HG2 LYS 10 2HG LYS 10 8.200 4.229 -17.409 103 HG3 LYS 10 3HG LYS 10 8.903 5.616 -18.244 104 HD2 LYS 10 2HD LYS 10 10.638 5.763 -16.510 105 HD3 LYS 10 3HD LYS 10 9.941 4.355 -15.704 106 HE2 LYS 10 2HE LYS 10 11.250 3.076 -16.966 107 HE3 LYS 10 3HE LYS 10 10.304 3.583 -18.364 108 HZ1 LYS 10 3HZ LYS 10 12.983 4.254 -17.658 109 HZ2 LYS 10 1HZ LYS 10 12.052 5.641 -17.922 110 HZ3 LYS 10 2HZ LYS 10 12.176 4.464 -19.130 111 H VAL 11 H VAL 11 7.541 8.042 -13.860 112 HA VAL 11 HA VAL 11 5.516 9.726 -14.985 113 HB VAL 11 HB VAL 11 6.356 9.293 -12.116 114 HG11 VAL 11 1HG1 VAL 11 5.320 11.460 -12.299 115 HG12 VAL 11 2HG1 VAL 11 3.990 10.786 -13.242 116 HG13 VAL 11 3HG1 VAL 11 4.184 10.340 -11.547 117 HG21 VAL 11 3HG2 VAL 11 5.245 7.377 -12.319 118 HG22 VAL 11 1HG2 VAL 11 3.777 8.314 -12.596 119 HG23 VAL 11 2HG2 VAL 11 4.753 7.780 -13.964 120 H ILE 12 H ILE 12 8.728 10.194 -13.826 121 HA ILE 12 HA ILE 12 8.741 12.804 -12.947 122 HB ILE 12 HB ILE 12 11.076 12.923 -13.976 123 HG12 ILE 12 2HG1 ILE 12 11.095 10.007 -14.322 124 HG13 ILE 12 3HG1 ILE 12 10.154 10.862 -15.539 125 HG21 ILE 12 1HG2 ILE 12 11.545 12.292 -11.900 126 HG22 ILE 12 2HG2 ILE 12 10.036 11.388 -11.788 127 HG23 ILE 12 3HG2 ILE 12 11.481 10.614 -12.438 128 HD11 ILE 12 3HD1 ILE 12 11.992 11.965 -16.374 129 HD12 ILE 12 1HD1 ILE 12 12.914 11.779 -14.882 130 HD13 ILE 12 2HD1 ILE 12 12.665 10.393 -15.943
Contact the webmaster for help, if required. Sunday, April 28, 2024 10:22:52 PM GMT (wattos1)