NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
638241 | 6qxc | 34367 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 1H PHE 1 -12.984 6.647 1.784 2 H2 PHE 1 2H PHE 1 -13.028 6.175 0.187 3 H3 PHE 1 3H PHE 1 -13.152 5.052 1.363 4 HA PHE 1 HA PHE 1 -10.705 6.654 0.864 5 HB2 PHE 1 2HB PHE 1 -9.606 5.348 2.557 6 HB3 PHE 1 1HB PHE 1 -11.013 6.044 3.285 7 HD1 PHE 1 HD1 PHE 1 -9.367 2.883 2.243 8 HD2 PHE 1 HD2 PHE 1 -12.971 4.527 3.940 9 HE1 PHE 1 HE1 PHE 1 -10.107 0.631 2.879 10 HE2 PHE 1 HE2 PHE 1 -13.687 2.263 4.572 11 HZ PHE 1 HZ PHE 1 -12.262 0.316 4.047 12 H VAL 2 H VAL 2 -9.016 5.560 -0.291 13 HA VAL 2 HA VAL 2 -9.979 3.490 -2.180 14 HB VAL 2 HB VAL 2 -8.431 5.357 -2.847 15 HG11 VAL 2 1HG1 VAL 2 -6.131 3.622 -1.773 16 HG12 VAL 2 2HG1 VAL 2 -6.043 5.267 -2.451 17 HG13 VAL 2 3HG1 VAL 2 -6.744 4.985 -0.836 18 HG21 VAL 2 1HG2 VAL 2 -7.492 2.500 -3.553 19 HG22 VAL 2 2HG2 VAL 2 -8.823 3.385 -4.332 20 HG23 VAL 2 3HG2 VAL 2 -7.160 3.972 -4.493 21 HA PH6 3 HA TCP 3 -8.466 -0.021 0.505 22 HB2 PH6 3 1HB TCP 3 -10.181 -1.230 -0.484 23 HB3 PH6 3 2HB TCP 3 -8.834 -2.047 -1.279 24 HG2 PH6 3 HG TCP 3 -9.006 -0.699 -3.282 25 HD2 PH6 3 1HD TCP 3 -10.932 1.269 -1.948 26 HD3 PH6 3 2HD TCP 3 -9.673 1.523 -3.192 27 H1 PH6 3 H19 TCP 3 -10.260 -2.915 -3.952 28 H61 PH6 3 H20 TCP 3 -12.321 -4.343 -3.766 29 H62 PH6 3 H21 TCP 3 -13.143 -3.092 -2.832 30 H21 PH6 3 H17 TCP 3 -11.902 -0.920 -2.256 31 H22 PH6 3 H18 TCP 3 -10.724 -3.145 -2.268 32 H51 PH6 3 H11 TCP 3 -13.877 -2.995 -5.242 33 H52 PH6 3 H12 TCP 3 -12.202 -2.829 -5.773 34 H41 PH6 3 H13 TCP 3 -13.318 -0.576 -5.748 35 H42 PH6 3 H14 TCP 3 -13.762 -0.778 -4.053 36 H31 PH6 3 H15 TCP 3 -11.730 0.639 -4.249 37 H32 PH6 3 H16 TCP 3 -10.876 -0.600 -5.162 38 H TRP 4 H TRP 4 -6.433 1.102 0.402 39 HA TRP 4 HA TRP 4 -4.346 0.371 -1.519 40 HB2 TRP 4 1HB TRP 4 -4.363 1.695 1.241 41 HB3 TRP 4 2HB TRP 4 -2.861 1.127 0.647 42 HD1 TRP 4 HD1 TRP 4 -3.104 2.001 -2.559 43 HE1 TRP 4 HE1 TRP 4 -3.027 4.532 -3.275 44 HE3 TRP 4 HE3 TRP 4 -4.288 3.937 2.015 45 HZ2 TRP 4 HZ2 TRP 4 -3.357 6.972 -1.856 46 HZ3 TRP 4 HZ3 TRP 4 -4.388 6.392 2.281 47 HH2 TRP 4 HH2 TRP 4 -3.946 7.892 0.373 48 H PHE 5 H PHE 5 -3.619 -1.513 -1.824 49 HA PHE 5 HA PHE 5 -3.180 -3.548 0.424 50 HB2 PHE 5 2HB PHE 5 -3.262 -4.019 -2.623 51 HB3 PHE 5 1HB PHE 5 -3.151 -5.245 -1.391 52 HD1 PHE 5 HD1 PHE 5 -5.428 -3.612 -3.516 53 HD2 PHE 5 HD2 PHE 5 -5.133 -5.095 0.513 54 HE1 PHE 5 HE1 PHE 5 -7.873 -3.798 -3.399 55 HE2 PHE 5 HE2 PHE 5 -7.585 -5.260 0.622 56 HZ PHE 5 HZ PHE 5 -8.959 -4.639 -1.339 57 H SER 6 H SER 6 -1.483 -2.514 -2.521 58 HA SER 6 HA SER 6 1.228 -3.382 -1.394 59 HB2 SER 6 2HB SER 6 0.395 -2.298 -4.169 60 HB3 SER 6 1HB SER 6 2.029 -2.765 -3.713 61 HG SER 6 HG SER 6 -0.124 -4.576 -3.351 62 H LYS 7 H LYS 7 -0.216 -1.180 -0.156 63 HA LYS 7 HA LYS 7 1.489 1.264 -0.779 64 HB2 LYS 7 2HB LYS 7 -0.964 1.476 -0.279 65 HB3 LYS 7 1HB LYS 7 -0.701 0.864 1.356 66 HG2 LYS 7 2HG LYS 7 -0.902 3.285 1.400 67 HG3 LYS 7 1HG LYS 7 0.727 2.845 1.903 68 HD2 LYS 7 2HD LYS 7 1.776 3.683 -0.062 69 HD3 LYS 7 1HD LYS 7 0.411 3.346 -1.088 70 HE2 LYS 7 2HE LYS 7 0.711 5.771 -0.931 71 HE3 LYS 7 1HE LYS 7 -0.871 5.254 -0.366 72 HZ1 LYS 7 1HZ LYS 7 0.134 6.838 1.297 73 HZ2 LYS 7 2HZ LYS 7 -0.032 5.353 1.976 74 HZ3 LYS 7 3HZ LYS 7 1.447 5.840 1.500 75 H PHE 8 H PHE 8 0.958 -0.859 2.013 76 HA PHE 8 HA PHE 8 3.268 0.234 3.555 77 HB2 PHE 8 2HB PHE 8 1.027 -1.008 4.453 78 HB3 PHE 8 1HB PHE 8 1.877 -2.477 4.057 79 HD1 PHE 8 HD1 PHE 8 2.456 0.841 5.796 80 HD2 PHE 8 HD2 PHE 8 3.295 -3.378 5.805 81 HE1 PHE 8 HE1 PHE 8 3.692 1.087 7.908 82 HE2 PHE 8 HE2 PHE 8 4.490 -3.125 7.942 83 HZ PHE 8 HZ PHE 8 4.702 -0.894 8.991 84 H LEU 9 H LEU 9 2.717 -2.647 1.579 85 HA LEU 9 HA LEU 9 5.540 -3.612 1.732 86 HB2 LEU 9 2HB LEU 9 3.012 -4.480 0.264 87 HB3 LEU 9 1HB LEU 9 4.487 -4.731 -0.612 88 HG LEU 9 HG LEU 9 5.487 -5.932 1.437 89 HD11 LEU 9 1HD1 LEU 9 2.537 -5.762 2.386 90 HD12 LEU 9 2HD1 LEU 9 3.730 -6.912 3.038 91 HD13 LEU 9 3HD1 LEU 9 3.981 -5.170 3.245 92 HD21 LEU 9 1HD2 LEU 9 3.018 -7.084 -0.022 93 HD22 LEU 9 2HD2 LEU 9 4.714 -7.130 -0.564 94 HD23 LEU 9 3HD2 LEU 9 4.226 -8.049 0.869 95 H GLY 10 H GLY 10 3.792 -1.564 -0.644 96 HA2 GLY 10 1HA GLY 10 5.912 -1.395 -2.666 97 HA3 GLY 10 2HA GLY 10 4.694 -0.169 -2.413 98 H ARG 11 H ARG 11 5.448 0.573 0.200 99 HA ARG 11 HA ARG 11 7.823 2.380 -0.233 100 HB2 ARG 11 2HB ARG 11 5.758 1.881 1.988 101 HB3 ARG 11 1HB ARG 11 7.273 2.469 2.512 102 HG2 ARG 11 2HG ARG 11 6.126 4.001 0.129 103 HG3 ARG 11 1HG ARG 11 5.189 4.059 1.620 104 HD2 ARG 11 2HD ARG 11 7.523 4.594 2.819 105 HD3 ARG 11 1HD ARG 11 8.145 4.908 1.192 106 HE ARG 11 HE ARG 11 5.786 6.493 1.276 107 HH11 ARG 11 1HH1 ARG 11 8.394 8.001 3.908 108 HH12 ARG 11 2HH1 ARG 11 8.584 6.287 3.309 109 HH21 ARG 11 1HH2 ARG 11 6.762 9.141 3.165 110 HH22 ARG 11 2HH2 ARG 11 5.586 8.440 1.963 111 H ILE 12 H ILE 12 7.274 -0.351 2.032 112 HA ILE 12 HA ILE 12 10.084 -0.475 2.951 113 HB ILE 12 HB ILE 12 8.006 -2.729 2.997 114 HG12 ILE 12 2HG1 ILE 12 8.518 -0.632 5.216 115 HG13 ILE 12 1HG1 ILE 12 7.128 -0.660 4.171 116 HG21 ILE 12 1HG2 ILE 12 9.374 -3.624 4.956 117 HG22 ILE 12 2HG2 ILE 12 10.345 -3.541 3.493 118 HG23 ILE 12 3HG2 ILE 12 10.542 -2.296 4.742 119 HD11 ILE 12 1HD1 ILE 12 6.083 -1.868 5.766 120 HD12 ILE 12 2HD1 ILE 12 6.982 -3.278 5.182 121 HD13 ILE 12 3HD1 ILE 12 7.602 -2.345 6.566 122 H LEU 13 H LEU 13 8.452 -2.007 0.221 123 HA LEU 13 HA LEU 13 10.385 -3.897 -0.695 124 HB2 LEU 13 2HB LEU 13 8.244 -2.137 -1.981 125 HB3 LEU 13 1HB LEU 13 9.448 -2.681 -3.074 126 HG LEU 13 HG LEU 13 7.683 -4.568 -1.421 127 HD11 LEU 13 1HD1 LEU 13 7.053 -5.043 -4.059 128 HD12 LEU 13 2HD1 LEU 13 6.232 -3.811 -3.093 129 HD13 LEU 13 3HD1 LEU 13 7.520 -3.346 -4.222 130 HD21 LEU 13 1HD2 LEU 13 8.810 -6.246 -3.225 131 HD22 LEU 13 2HD2 LEU 13 10.127 -5.050 -3.214 132 HD23 LEU 13 3HD2 LEU 13 9.635 -5.855 -1.711 133 HN1 NH2 14 1HN NH2 14 12.248 -0.547 -2.189 134 HN2 NH2 14 2HN NH2 14 10.408 -0.514 -1.999 Start of MODEL 2 1 H1 PHE 1 1H PHE 1 -13.110 6.999 1.662 2 H2 PHE 1 2H PHE 1 -13.657 5.779 0.676 3 H3 PHE 1 3H PHE 1 -13.087 5.420 2.165 4 HA PHE 1 HA PHE 1 -11.442 6.522 -0.044 5 HB2 PHE 1 2HB PHE 1 -9.556 6.460 1.369 6 HB3 PHE 1 1HB PHE 1 -10.763 7.232 2.330 7 HD1 PHE 1 HD1 PHE 1 -11.911 5.814 4.246 8 HD2 PHE 1 HD2 PHE 1 -8.465 4.411 2.079 9 HE1 PHE 1 HE1 PHE 1 -11.556 4.052 5.924 10 HE2 PHE 1 HE2 PHE 1 -8.132 2.654 3.761 11 HZ PHE 1 HZ PHE 1 -9.677 2.465 5.683 12 H VAL 2 H VAL 2 -9.592 4.925 -0.579 13 HA VAL 2 HA VAL 2 -10.704 2.104 -0.748 14 HB VAL 2 HB VAL 2 -10.542 3.233 -2.956 15 HG11 VAL 2 1HG1 VAL 2 -8.397 3.518 -4.129 16 HG12 VAL 2 2HG1 VAL 2 -8.311 4.457 -2.621 17 HG13 VAL 2 3HG1 VAL 2 -7.487 2.887 -2.736 18 HG21 VAL 2 1HG2 VAL 2 -9.553 1.257 -4.152 19 HG22 VAL 2 2HG2 VAL 2 -8.850 0.673 -2.630 20 HG23 VAL 2 3HG2 VAL 2 -10.620 0.760 -2.828 21 HA PH6 3 HA TCP 3 -6.978 1.118 1.792 22 HB2 PH6 3 1HB TCP 3 -8.103 -0.594 2.745 23 HB3 PH6 3 2HB TCP 3 -7.135 -1.653 1.734 24 HG2 PH6 3 HG TCP 3 -8.793 -1.870 0.062 25 HD2 PH6 3 1HD TCP 3 -10.515 0.476 0.879 26 HD3 PH6 3 2HD TCP 3 -10.030 -0.128 -0.717 27 H1 PH6 3 H19 TCP 3 -9.718 -3.007 2.034 28 H61 PH6 3 H20 TCP 3 -9.938 -1.172 3.698 29 H62 PH6 3 H21 TCP 3 -11.168 -0.372 2.739 30 H21 PH6 3 H17 TCP 3 -11.005 -3.097 -0.096 31 H22 PH6 3 H18 TCP 3 -11.852 -1.609 0.297 32 H51 PH6 3 H11 TCP 3 -12.227 -1.620 4.572 33 H52 PH6 3 H12 TCP 3 -11.408 -3.114 4.109 34 H41 PH6 3 H13 TCP 3 -13.777 -3.119 3.258 35 H42 PH6 3 H14 TCP 3 -13.510 -1.594 2.414 36 H31 PH6 3 H15 TCP 3 -13.333 -3.502 0.798 37 H32 PH6 3 H16 TCP 3 -12.103 -4.285 1.792 38 H TRP 4 H TRP 4 -5.064 1.470 0.960 39 HA TRP 4 HA TRP 4 -4.160 0.273 -1.682 40 HB2 TRP 4 1HB TRP 4 -2.990 2.501 0.091 41 HB3 TRP 4 2HB TRP 4 -2.260 1.882 -1.357 42 HD1 TRP 4 HD1 TRP 4 -5.279 4.035 -0.305 43 HE1 TRP 4 HE1 TRP 4 -6.206 5.414 -2.364 44 HE3 TRP 4 HE3 TRP 4 -2.446 1.742 -3.884 45 HZ2 TRP 4 HZ2 TRP 4 -5.617 5.403 -5.141 46 HZ3 TRP 4 HZ3 TRP 4 -2.657 2.486 -6.234 47 HH2 TRP 4 HH2 TRP 4 -4.229 4.275 -6.857 48 H PHE 5 H PHE 5 -3.948 -1.858 -0.899 49 HA PHE 5 HA PHE 5 -2.005 -2.671 1.116 50 HB2 PHE 5 2HB PHE 5 -2.761 -4.654 -1.074 51 HB3 PHE 5 1HB PHE 5 -2.447 -4.930 0.602 52 HD1 PHE 5 HD1 PHE 5 -4.302 -4.307 2.331 53 HD2 PHE 5 HD2 PHE 5 -4.964 -4.130 -1.916 54 HE1 PHE 5 HE1 PHE 5 -6.742 -4.344 2.695 55 HE2 PHE 5 HE2 PHE 5 -7.389 -4.142 -1.536 56 HZ PHE 5 HZ PHE 5 -8.284 -4.295 0.758 57 H SER 6 H SER 6 -1.739 -3.023 -2.422 58 HA SER 6 HA SER 6 1.081 -3.633 -2.707 59 HB2 SER 6 2HB SER 6 0.739 -2.544 -5.042 60 HB3 SER 6 1HB SER 6 -0.270 -3.914 -4.628 61 HG SER 6 HG SER 6 -1.095 -1.190 -4.337 62 H LYS 7 H LYS 7 -0.397 -0.435 -2.296 63 HA LYS 7 HA LYS 7 2.090 1.125 -2.713 64 HB2 LYS 7 2HB LYS 7 -0.524 1.875 -2.620 65 HB3 LYS 7 1HB LYS 7 -0.189 2.059 -0.907 66 HG2 LYS 7 2HG LYS 7 0.043 4.187 -1.878 67 HG3 LYS 7 1HG LYS 7 1.680 3.708 -1.512 68 HD2 LYS 7 2HD LYS 7 0.656 2.970 -4.322 69 HD3 LYS 7 1HD LYS 7 0.675 4.679 -3.967 70 HE2 LYS 7 2HE LYS 7 3.203 4.348 -3.208 71 HE3 LYS 7 1HE LYS 7 3.103 2.735 -3.911 72 HZ1 LYS 7 1HZ LYS 7 3.874 4.414 -5.599 73 HZ2 LYS 7 2HZ LYS 7 2.425 3.795 -6.077 74 HZ3 LYS 7 3HZ LYS 7 2.493 5.287 -5.410 75 H PHE 8 H PHE 8 0.619 -0.301 0.149 76 HA PHE 8 HA PHE 8 2.621 0.601 2.147 77 HB2 PHE 8 2HB PHE 8 0.225 -1.262 2.067 78 HB3 PHE 8 1HB PHE 8 1.511 -1.939 2.986 79 HD1 PHE 8 HD1 PHE 8 1.955 -1.185 5.205 80 HD2 PHE 8 HD2 PHE 8 -0.509 1.220 2.639 81 HE1 PHE 8 HE1 PHE 8 1.447 0.305 7.095 82 HE2 PHE 8 HE2 PHE 8 -1.035 2.699 4.542 83 HZ PHE 8 HZ PHE 8 -0.053 2.249 6.772 84 H LEU 9 H LEU 9 2.254 -2.579 0.510 85 HA LEU 9 HA LEU 9 4.873 -3.603 1.224 86 HB2 LEU 9 2HB LEU 9 2.729 -4.416 -0.689 87 HB3 LEU 9 1HB LEU 9 4.274 -4.595 -1.434 88 HG LEU 9 HG LEU 9 5.025 -5.859 0.794 89 HD11 LEU 9 1HD1 LEU 9 2.984 -5.308 2.164 90 HD12 LEU 9 2HD1 LEU 9 1.939 -6.115 0.972 91 HD13 LEU 9 3HD1 LEU 9 3.111 -7.062 1.919 92 HD21 LEU 9 1HD2 LEU 9 3.094 -7.117 -1.258 93 HD22 LEU 9 2HD2 LEU 9 4.860 -6.944 -1.417 94 HD23 LEU 9 3HD2 LEU 9 4.190 -8.014 -0.174 95 H GLY 10 H GLY 10 4.106 -1.663 -1.707 96 HA2 GLY 10 1HA GLY 10 6.757 -1.495 -2.880 97 HA3 GLY 10 2HA GLY 10 5.555 -0.232 -2.987 98 H ARG 11 H ARG 11 5.443 0.635 -0.352 99 HA ARG 11 HA ARG 11 7.960 2.227 0.018 100 HB2 ARG 11 2HB ARG 11 5.258 1.998 1.451 101 HB3 ARG 11 1HB ARG 11 6.569 2.642 2.374 102 HG2 ARG 11 2HG ARG 11 6.067 3.816 -0.422 103 HG3 ARG 11 1HG ARG 11 4.996 4.251 0.907 104 HD2 ARG 11 2HD ARG 11 6.887 5.050 2.303 105 HD3 ARG 11 1HD ARG 11 8.077 4.515 1.097 106 HE ARG 11 HE ARG 11 6.270 6.326 -0.277 107 HH11 ARG 11 1HH1 ARG 11 9.008 8.251 1.920 108 HH12 ARG 11 2HH1 ARG 11 8.620 6.500 2.278 109 HH21 ARG 11 1HH2 ARG 11 7.977 9.209 0.317 110 HH22 ARG 11 2HH2 ARG 11 6.736 8.317 -0.672 111 H ILE 12 H ILE 12 6.499 -0.411 1.976 112 HA ILE 12 HA ILE 12 8.818 -0.610 3.805 113 HB ILE 12 HB ILE 12 6.727 -2.766 3.259 114 HG12 ILE 12 2HG1 ILE 12 6.545 -0.559 5.407 115 HG13 ILE 12 1HG1 ILE 12 5.596 -0.628 3.948 116 HG21 ILE 12 1HG2 ILE 12 9.064 -2.747 5.099 117 HG22 ILE 12 2HG2 ILE 12 7.590 -2.889 6.040 118 HG23 ILE 12 3HG2 ILE 12 7.914 -4.046 4.740 119 HD11 ILE 12 1HD1 ILE 12 4.120 -1.508 5.571 120 HD12 ILE 12 2HD1 ILE 12 4.695 -2.968 4.729 121 HD13 ILE 12 3HD1 ILE 12 5.352 -2.528 6.327 122 H LEU 13 H LEU 13 8.148 -2.297 0.730 123 HA LEU 13 HA LEU 13 10.253 -4.185 0.537 124 HB2 LEU 13 2HB LEU 13 8.767 -2.374 -1.404 125 HB3 LEU 13 1HB LEU 13 10.244 -2.970 -2.034 126 HG LEU 13 HG LEU 13 8.187 -4.920 -0.851 127 HD11 LEU 13 1HD1 LEU 13 6.909 -3.894 -2.597 128 HD12 LEU 13 2HD1 LEU 13 8.310 -3.654 -3.661 129 HD13 LEU 13 3HD1 LEU 13 7.627 -5.278 -3.422 130 HD21 LEU 13 1HD2 LEU 13 9.413 -6.580 -2.255 131 HD22 LEU 13 2HD2 LEU 13 10.454 -5.305 -2.936 132 HD23 LEU 13 3HD2 LEU 13 10.590 -5.747 -1.219 133 HN1 NH2 14 1HN NH2 14 12.653 -0.908 -0.082 134 HN2 NH2 14 2HN NH2 14 10.847 -0.718 -0.406 Start of MODEL 3 1 H1 PHE 1 1H PHE 1 -11.119 7.501 3.018 2 H2 PHE 1 2H PHE 1 -11.688 6.931 1.563 3 H3 PHE 1 3H PHE 1 -11.652 5.942 2.864 4 HA PHE 1 HA PHE 1 -9.237 7.040 1.537 5 HB2 PHE 1 2HB PHE 1 -7.908 5.722 3.053 6 HB3 PHE 1 1HB PHE 1 -8.956 6.704 4.012 7 HD1 PHE 1 HD1 PHE 1 -10.880 5.604 5.303 8 HD2 PHE 1 HD2 PHE 1 -8.074 3.236 3.050 9 HE1 PHE 1 HE1 PHE 1 -11.713 3.562 6.388 10 HE2 PHE 1 HE2 PHE 1 -8.917 1.208 4.150 11 HZ PHE 1 HZ PHE 1 -10.741 1.363 5.814 12 H VAL 2 H VAL 2 -7.818 5.164 0.709 13 HA VAL 2 HA VAL 2 -9.568 3.110 -0.687 14 HB VAL 2 HB VAL 2 -8.575 4.836 -2.210 15 HG11 VAL 2 1HG1 VAL 2 -6.229 4.676 -2.939 16 HG12 VAL 2 2HG1 VAL 2 -6.219 4.957 -1.183 17 HG13 VAL 2 3HG1 VAL 2 -5.919 3.331 -1.816 18 HG21 VAL 2 1HG2 VAL 2 -7.805 1.917 -2.838 19 HG22 VAL 2 2HG2 VAL 2 -9.418 2.642 -3.064 20 HG23 VAL 2 3HG2 VAL 2 -8.045 3.228 -4.015 21 HA PH6 3 HA TCP 3 -6.899 0.123 1.641 22 HB2 PH6 3 1HB TCP 3 -8.678 -1.269 1.752 23 HB3 PH6 3 2HB TCP 3 -7.837 -2.222 0.543 24 HG2 PH6 3 HG TCP 3 -9.039 -1.328 -1.278 25 HD2 PH6 3 1HD TCP 3 -10.211 1.078 0.133 26 HD3 PH6 3 2HD TCP 3 -9.512 0.895 -1.489 27 H1 PH6 3 H19 TCP 3 -12.755 -2.829 1.668 28 H61 PH6 3 H20 TCP 3 -14.772 -1.752 0.619 29 H62 PH6 3 H21 TCP 3 -13.910 -0.223 0.453 30 H21 PH6 3 H17 TCP 3 -11.456 -0.050 1.474 31 H22 PH6 3 H18 TCP 3 -13.209 -1.379 2.567 32 H51 PH6 3 H11 TCP 3 -13.903 -1.443 -1.736 33 H52 PH6 3 H12 TCP 3 -13.196 -2.874 -0.985 34 H41 PH6 3 H13 TCP 3 -11.416 -1.582 -2.147 35 H42 PH6 3 H14 TCP 3 -11.883 -0.112 -1.307 36 H31 PH6 3 H15 TCP 3 -10.669 -2.644 -0.022 37 H32 PH6 3 H16 TCP 3 -10.753 -1.487 2.190 38 H TRP 4 H TRP 4 -5.045 0.962 0.703 39 HA TRP 4 HA TRP 4 -3.909 -0.096 -1.826 40 HB2 TRP 4 2HB TRP 4 -2.880 1.668 0.463 41 HB3 TRP 4 1HB TRP 4 -1.744 1.031 -0.665 42 HD1 TRP 4 HD1 TRP 4 -3.579 1.395 -3.467 43 HE1 TRP 4 HE1 TRP 4 -3.839 3.790 -4.529 44 HE3 TRP 4 HE3 TRP 4 -2.560 4.035 0.788 45 HZ2 TRP 4 HZ2 TRP 4 -3.552 6.412 -3.505 46 HZ3 TRP 4 HZ3 TRP 4 -2.632 6.505 0.693 47 HH2 TRP 4 HH2 TRP 4 -3.131 7.678 -1.416 48 H PHE 5 H PHE 5 -3.837 -2.249 -1.790 49 HA PHE 5 HA PHE 5 -2.510 -3.838 0.294 50 HB2 PHE 5 2HB PHE 5 -3.144 -4.914 -2.504 51 HB3 PHE 5 1HB PHE 5 -3.028 -5.791 -1.015 52 HD1 PHE 5 HD1 PHE 5 -4.875 -4.907 0.892 53 HD2 PHE 5 HD2 PHE 5 -5.293 -4.558 -3.378 54 HE1 PHE 5 HE1 PHE 5 -7.325 -4.775 1.127 55 HE2 PHE 5 HE2 PHE 5 -7.731 -4.414 -3.122 56 HZ PHE 5 HZ PHE 5 -8.754 -4.524 -0.876 57 H SER 6 H SER 6 -1.575 -3.745 -3.138 58 HA SER 6 HA SER 6 1.296 -4.372 -2.698 59 HB2 SER 6 2HB SER 6 0.112 -4.990 -4.790 60 HB3 SER 6 1HB SER 6 -0.269 -3.302 -5.138 61 HG SER 6 HG SER 6 2.302 -4.526 -5.096 62 H LYS 7 H LYS 7 -0.387 -1.284 -3.325 63 HA LYS 7 HA LYS 7 1.905 0.512 -3.338 64 HB2 LYS 7 2HB LYS 7 -1.072 0.733 -2.812 65 HB3 LYS 7 1HB LYS 7 -0.155 2.016 -2.104 66 HG2 LYS 7 2HG LYS 7 0.125 1.272 -5.084 67 HG3 LYS 7 1HG LYS 7 -1.101 2.368 -4.466 68 HD2 LYS 7 2HD LYS 7 0.585 3.872 -3.453 69 HD3 LYS 7 1HD LYS 7 1.912 2.839 -3.985 70 HE2 LYS 7 2HE LYS 7 1.521 3.276 -6.349 71 HE3 LYS 7 1HE LYS 7 -0.101 3.916 -6.075 72 HZ1 LYS 7 1HZ LYS 7 1.533 5.770 -6.363 73 HZ2 LYS 7 2HZ LYS 7 0.880 5.828 -4.856 74 HZ3 LYS 7 3HZ LYS 7 2.404 5.259 -5.059 75 H PHE 8 H PHE 8 0.262 -0.795 -0.501 76 HA PHE 8 HA PHE 8 1.914 0.654 1.525 77 HB2 PHE 8 2HB PHE 8 -0.206 -1.505 1.560 78 HB3 PHE 8 1HB PHE 8 1.042 -1.849 2.661 79 HD1 PHE 8 HD1 PHE 8 -0.798 1.343 1.656 80 HD2 PHE 8 HD2 PHE 8 0.653 -1.154 4.838 81 HE1 PHE 8 HE1 PHE 8 -1.644 2.956 3.317 82 HE2 PHE 8 HE2 PHE 8 -0.192 0.456 6.486 83 HZ PHE 8 HZ PHE 8 -1.335 2.520 5.735 84 H LEU 9 H LEU 9 2.055 -2.738 0.367 85 HA LEU 9 HA LEU 9 4.663 -3.348 1.473 86 HB2 LEU 9 2HB LEU 9 2.796 -4.656 -0.447 87 HB3 LEU 9 1HB LEU 9 4.416 -4.780 -1.040 88 HG LEU 9 HG LEU 9 5.140 -5.685 1.288 89 HD11 LEU 9 1HD1 LEU 9 2.076 -6.017 1.646 90 HD12 LEU 9 2HD1 LEU 9 3.339 -6.679 2.713 91 HD13 LEU 9 3HD1 LEU 9 3.103 -4.926 2.602 92 HD21 LEU 9 1HD2 LEU 9 4.942 -7.171 -0.655 93 HD22 LEU 9 2HD2 LEU 9 4.223 -8.000 0.738 94 HD23 LEU 9 3HD2 LEU 9 3.170 -7.262 -0.496 95 H GLY 10 H GLY 10 4.028 -1.931 -1.765 96 HA2 GLY 10 1HA GLY 10 6.767 -1.593 -2.689 97 HA3 GLY 10 2HA GLY 10 5.450 -0.519 -3.095 98 H ARG 11 H ARG 11 4.938 0.675 -0.627 99 HA ARG 11 HA ARG 11 7.228 2.574 -0.246 100 HB2 ARG 11 2HB ARG 11 4.424 2.264 0.932 101 HB3 ARG 11 1HB ARG 11 5.564 3.117 1.915 102 HG2 ARG 11 2HG ARG 11 5.041 3.919 -1.015 103 HG3 ARG 11 1HG ARG 11 4.100 4.505 0.338 104 HD2 ARG 11 2HD ARG 11 5.613 6.262 0.392 105 HD3 ARG 11 1HD ARG 11 6.520 5.182 1.396 106 HE ARG 11 HE ARG 11 8.201 4.966 -0.309 107 HH11 ARG 11 1HH1 ARG 11 6.209 6.711 -3.307 108 HH12 ARG 11 2HH1 ARG 11 5.354 6.288 -1.737 109 HH21 ARG 11 1HH2 ARG 11 8.282 6.216 -3.472 110 HH22 ARG 11 2HH2 ARG 11 9.173 5.431 -2.093 111 H ILE 12 H ILE 12 5.811 0.094 1.929 112 HA ILE 12 HA ILE 12 7.904 0.403 3.992 113 HB ILE 12 HB ILE 12 6.112 -2.030 3.561 114 HG12 ILE 12 2HG1 ILE 12 5.443 0.421 5.310 115 HG13 ILE 12 1HG1 ILE 12 4.702 0.038 3.785 116 HG21 ILE 12 1HG2 ILE 12 7.246 -2.939 5.330 117 HG22 ILE 12 2HG2 ILE 12 8.179 -1.465 5.632 118 HG23 ILE 12 3HG2 ILE 12 6.612 -1.680 6.400 119 HD11 ILE 12 1HD1 ILE 12 4.170 -2.367 5.060 120 HD12 ILE 12 2HD1 ILE 12 4.157 -1.239 6.436 121 HD13 ILE 12 3HD1 ILE 12 3.076 -0.967 5.052 122 H LEU 13 H LEU 13 7.775 -1.772 1.154 123 HA LEU 13 HA LEU 13 10.097 -3.370 1.456 124 HB2 LEU 13 2HB LEU 13 8.695 -2.017 -0.888 125 HB3 LEU 13 1HB LEU 13 10.291 -2.541 -1.244 126 HG LEU 13 HG LEU 13 8.248 -4.482 -0.028 127 HD11 LEU 13 1HD1 LEU 13 8.128 -5.311 -2.550 128 HD12 LEU 13 2HD1 LEU 13 7.186 -3.889 -2.093 129 HD13 LEU 13 3HD1 LEU 13 8.717 -3.688 -2.970 130 HD21 LEU 13 1HD2 LEU 13 10.716 -5.146 -1.767 131 HD22 LEU 13 2HD2 LEU 13 10.850 -4.998 -0.005 132 HD23 LEU 13 3HD2 LEU 13 9.778 -6.224 -0.703 133 HN1 NH2 14 1HN NH2 14 12.119 0.122 0.878 134 HN2 NH2 14 2HN NH2 14 10.306 0.117 0.570 Start of MODEL 4 1 H1 PHE 1 1H PHE 1 -11.148 7.646 2.694 2 H2 PHE 1 2H PHE 1 -11.396 7.122 1.127 3 H3 PHE 1 3H PHE 1 -11.845 6.181 2.382 4 HA PHE 1 HA PHE 1 -9.022 6.818 1.748 5 HB2 PHE 1 2HB PHE 1 -8.421 5.192 3.500 6 HB3 PHE 1 1HB PHE 1 -9.260 6.547 4.175 7 HD1 PHE 1 HD1 PHE 1 -11.728 6.260 4.901 8 HD2 PHE 1 HD2 PHE 1 -9.317 2.884 3.720 9 HE1 PHE 1 HE1 PHE 1 -13.387 4.728 5.853 10 HE2 PHE 1 HE2 PHE 1 -10.972 1.372 4.736 11 HZ PHE 1 HZ PHE 1 -13.010 2.289 5.790 12 H VAL 2 H VAL 2 -7.839 5.127 0.738 13 HA VAL 2 HA VAL 2 -9.573 3.048 -0.626 14 HB VAL 2 HB VAL 2 -8.609 4.798 -2.144 15 HG11 VAL 2 1HG1 VAL 2 -5.956 3.267 -1.838 16 HG12 VAL 2 2HG1 VAL 2 -6.267 4.706 -2.843 17 HG13 VAL 2 3HG1 VAL 2 -6.227 4.832 -1.066 18 HG21 VAL 2 1HG2 VAL 2 -8.069 3.169 -3.956 19 HG22 VAL 2 2HG2 VAL 2 -7.857 1.870 -2.763 20 HG23 VAL 2 3HG2 VAL 2 -9.456 2.616 -3.006 21 HA PH6 3 HA TCP 3 -6.856 0.055 1.657 22 HB2 PH6 3 1HB TCP 3 -8.593 -1.395 1.699 23 HB3 PH6 3 2HB TCP 3 -7.736 -2.264 0.445 24 HG2 PH6 3 HG TCP 3 -8.970 -1.318 -1.334 25 HD2 PH6 3 1HD TCP 3 -10.173 1.020 0.166 26 HD3 PH6 3 2HD TCP 3 -9.486 0.893 -1.456 27 H1 PH6 3 H19 TCP 3 -10.582 -2.675 -0.067 28 H61 PH6 3 H20 TCP 3 -10.631 -1.474 2.160 29 H62 PH6 3 H21 TCP 3 -11.395 -0.076 1.437 30 H21 PH6 3 H17 TCP 3 -11.349 -1.577 -2.181 31 H22 PH6 3 H18 TCP 3 -11.831 -0.130 -1.309 32 H51 PH6 3 H11 TCP 3 -13.066 -1.450 2.572 33 H52 PH6 3 H12 TCP 3 -12.596 -2.884 1.652 34 H41 PH6 3 H13 TCP 3 -14.656 -1.815 0.644 35 H42 PH6 3 H14 TCP 3 -13.804 -0.281 0.466 36 H31 PH6 3 H15 TCP 3 -13.831 -1.526 -1.728 37 H32 PH6 3 H16 TCP 3 -13.068 -2.928 -0.975 38 H TRP 4 H TRP 4 -5.009 0.915 0.775 39 HA TRP 4 HA TRP 4 -3.894 -0.053 -1.830 40 HB2 TRP 4 1HB TRP 4 -2.879 1.697 0.469 41 HB3 TRP 4 2HB TRP 4 -1.750 1.063 -0.666 42 HD1 TRP 4 HD1 TRP 4 -3.521 1.440 -3.473 43 HE1 TRP 4 HE1 TRP 4 -3.868 3.841 -4.500 44 HE3 TRP 4 HE3 TRP 4 -2.626 4.038 0.826 45 HZ2 TRP 4 HZ2 TRP 4 -3.661 6.457 -3.430 46 HZ3 TRP 4 HZ3 TRP 4 -2.743 6.505 0.772 47 HH2 TRP 4 HH2 TRP 4 -3.272 7.702 -1.319 48 H PHE 5 H PHE 5 -3.930 -2.224 -1.700 49 HA PHE 5 HA PHE 5 -2.568 -3.812 0.317 50 HB2 PHE 5 2HB PHE 5 -3.165 -4.843 -2.525 51 HB3 PHE 5 1HB PHE 5 -3.012 -5.758 -1.064 52 HD1 PHE 5 HD1 PHE 5 -4.901 -5.642 0.678 53 HD2 PHE 5 HD2 PHE 5 -5.244 -3.757 -3.172 54 HE1 PHE 5 HE1 PHE 5 -7.348 -5.518 0.945 55 HE2 PHE 5 HE2 PHE 5 -7.679 -3.623 -2.888 56 HZ PHE 5 HZ PHE 5 -8.742 -4.519 -0.843 57 H SER 6 H SER 6 -1.632 -3.709 -3.078 58 HA SER 6 HA SER 6 1.243 -4.329 -2.635 59 HB2 SER 6 2HB SER 6 -0.570 -4.025 -4.998 60 HB3 SER 6 1HB SER 6 0.904 -3.129 -5.265 61 HG SER 6 HG SER 6 0.569 -5.793 -5.238 62 H LYS 7 H LYS 7 -0.458 -1.294 -3.230 63 HA LYS 7 HA LYS 7 1.840 0.526 -3.344 64 HB2 LYS 7 2HB LYS 7 -1.130 0.748 -2.914 65 HB3 LYS 7 1HB LYS 7 -0.283 1.922 -1.961 66 HG2 LYS 7 2HG LYS 7 0.264 1.585 -4.948 67 HG3 LYS 7 1HG LYS 7 -1.003 2.630 -4.335 68 HD2 LYS 7 2HD LYS 7 0.431 4.167 -3.252 69 HD3 LYS 7 1HD LYS 7 1.726 3.036 -3.029 70 HE2 LYS 7 2HE LYS 7 2.830 3.695 -4.877 71 HE3 LYS 7 1HE LYS 7 1.534 3.147 -5.912 72 HZ1 LYS 7 1HZ LYS 7 1.845 5.583 -6.221 73 HZ2 LYS 7 2HZ LYS 7 0.374 5.359 -5.524 74 HZ3 LYS 7 3HZ LYS 7 1.631 5.889 -4.619 75 H PHE 8 H PHE 8 0.304 -0.854 -0.511 76 HA PHE 8 HA PHE 8 1.917 0.652 1.518 77 HB2 PHE 8 2HB PHE 8 -0.098 -1.655 1.543 78 HB3 PHE 8 1HB PHE 8 1.100 -1.739 2.754 79 HD1 PHE 8 HD1 PHE 8 0.257 -1.055 4.787 80 HD2 PHE 8 HD2 PHE 8 -0.713 1.301 1.336 81 HE1 PHE 8 HE1 PHE 8 -0.893 0.573 6.219 82 HE2 PHE 8 HE2 PHE 8 -1.874 2.928 2.768 83 HZ PHE 8 HZ PHE 8 -1.966 2.572 5.217 84 H LEU 9 H LEU 9 2.060 -2.731 0.384 85 HA LEU 9 HA LEU 9 4.664 -3.360 1.508 86 HB2 LEU 9 2HB LEU 9 2.746 -4.596 -0.399 87 HB3 LEU 9 1HB LEU 9 4.309 -4.755 -1.067 88 HG LEU 9 HG LEU 9 4.140 -5.470 1.901 89 HD11 LEU 9 1HD1 LEU 9 2.976 -7.358 -0.230 90 HD12 LEU 9 2HD1 LEU 9 3.082 -7.607 1.535 91 HD13 LEU 9 3HD1 LEU 9 1.992 -6.373 0.884 92 HD21 LEU 9 1HD2 LEU 9 5.572 -6.657 -0.579 93 HD22 LEU 9 2HD2 LEU 9 6.312 -5.782 0.778 94 HD23 LEU 9 3HD2 LEU 9 5.626 -7.398 1.032 95 H GLY 10 H GLY 10 3.980 -1.868 -1.635 96 HA2 GLY 10 1HA GLY 10 6.733 -1.627 -2.647 97 HA3 GLY 10 2HA GLY 10 5.423 -0.543 -3.059 98 H ARG 11 H ARG 11 4.952 0.595 -0.538 99 HA ARG 11 HA ARG 11 7.252 2.510 -0.268 100 HB2 ARG 11 2HB ARG 11 4.434 2.319 0.927 101 HB3 ARG 11 1HB ARG 11 5.601 3.134 1.914 102 HG2 ARG 11 2HG ARG 11 5.129 3.905 -1.017 103 HG3 ARG 11 1HG ARG 11 4.267 4.654 0.312 104 HD2 ARG 11 2HD ARG 11 7.372 4.588 0.210 105 HD3 ARG 11 1HD ARG 11 6.472 5.836 -0.636 106 HE ARG 11 HE ARG 11 5.379 6.024 1.972 107 HH11 ARG 11 1HH1 ARG 11 9.236 6.981 2.291 108 HH12 ARG 11 2HH1 ARG 11 8.682 5.913 0.919 109 HH21 ARG 11 1HH2 ARG 11 7.787 7.693 3.664 110 HH22 ARG 11 2HH2 ARG 11 6.030 7.248 3.500 111 H ILE 12 H ILE 12 5.841 0.105 1.923 112 HA ILE 12 HA ILE 12 7.907 0.405 4.033 113 HB ILE 12 HB ILE 12 6.139 -2.042 3.500 114 HG12 ILE 12 2HG1 ILE 12 5.442 0.406 5.259 115 HG13 ILE 12 1HG1 ILE 12 4.682 -0.017 3.751 116 HG21 ILE 12 1HG2 ILE 12 7.521 -1.091 6.116 117 HG22 ILE 12 2HG2 ILE 12 6.482 -2.532 5.964 118 HG23 ILE 12 3HG2 ILE 12 8.027 -2.477 5.128 119 HD11 ILE 12 1HD1 ILE 12 4.262 -1.321 6.428 120 HD12 ILE 12 2HD1 ILE 12 3.087 -0.971 5.132 121 HD13 ILE 12 3HD1 ILE 12 4.158 -2.388 5.008 122 H LEU 13 H LEU 13 7.763 -1.651 1.142 123 HA LEU 13 HA LEU 13 9.997 -3.381 1.469 124 HB2 LEU 13 2HB LEU 13 8.620 -2.014 -0.876 125 HB3 LEU 13 1HB LEU 13 10.217 -2.512 -1.241 126 HG LEU 13 HG LEU 13 8.177 -4.487 -0.073 127 HD11 LEU 13 1HD1 LEU 13 8.725 -3.613 -2.978 128 HD12 LEU 13 2HD1 LEU 13 8.189 -5.272 -2.636 129 HD13 LEU 13 3HD1 LEU 13 7.173 -3.905 -2.164 130 HD21 LEU 13 1HD2 LEU 13 9.758 -6.202 -0.740 131 HD22 LEU 13 2HD2 LEU 13 10.733 -5.069 -1.716 132 HD23 LEU 13 3HD2 LEU 13 10.764 -4.980 0.053 133 HN1 NH2 14 1HN NH2 14 12.088 0.062 0.845 134 HN2 NH2 14 2HN NH2 14 10.299 0.020 0.418 Start of MODEL 5 1 H1 PHE 1 1H PHE 1 -11.910 7.733 1.389 2 H2 PHE 1 2H PHE 1 -12.659 6.496 0.560 3 H3 PHE 1 3H PHE 1 -12.086 6.229 2.060 4 HA PHE 1 HA PHE 1 -10.367 6.797 -0.294 5 HB2 PHE 1 2HB PHE 1 -8.451 6.412 1.146 6 HB3 PHE 1 1HB PHE 1 -9.391 7.685 1.844 7 HD1 PHE 1 HD1 PHE 1 -10.639 7.272 4.021 8 HD2 PHE 1 HD2 PHE 1 -8.217 4.165 2.267 9 HE1 PHE 1 HE1 PHE 1 -10.785 5.966 6.095 10 HE2 PHE 1 HE2 PHE 1 -8.374 2.883 4.355 11 HZ PHE 1 HZ PHE 1 -9.653 3.778 6.271 12 H VAL 2 H VAL 2 -8.887 4.908 -0.768 13 HA VAL 2 HA VAL 2 -10.404 2.302 -0.461 14 HB VAL 2 HB VAL 2 -10.239 3.210 -2.796 15 HG11 VAL 2 1HG1 VAL 2 -7.333 2.192 -2.736 16 HG12 VAL 2 2HG1 VAL 2 -8.181 2.968 -4.096 17 HG13 VAL 2 3HG1 VAL 2 -7.724 3.914 -2.657 18 HG21 VAL 2 1HG2 VAL 2 -10.787 0.814 -2.301 19 HG22 VAL 2 2HG2 VAL 2 -9.894 0.984 -3.816 20 HG23 VAL 2 3HG2 VAL 2 -9.057 0.395 -2.362 21 HA PH6 3 HA TCP 3 -6.637 0.909 1.881 22 HB2 PH6 3 1HB TCP 3 -7.957 -0.491 3.078 23 HB3 PH6 3 2HB TCP 3 -7.301 -1.784 2.089 24 HG2 PH6 3 HG TCP 3 -9.111 -1.835 0.590 25 HD2 PH6 3 1HD TCP 3 -10.347 0.842 1.260 26 HD3 PH6 3 2HD TCP 3 -10.074 0.024 -0.282 27 H1 PH6 3 H19 TCP 3 -10.026 -2.553 2.756 28 H61 PH6 3 H20 TCP 3 -9.752 -0.459 4.155 29 H62 PH6 3 H21 TCP 3 -10.949 0.385 3.197 30 H21 PH6 3 H17 TCP 3 -11.514 -2.615 0.746 31 H22 PH6 3 H18 TCP 3 -12.048 -0.966 1.032 32 H51 PH6 3 H11 TCP 3 -11.954 -0.416 5.277 33 H52 PH6 3 H12 TCP 3 -11.446 -2.078 4.948 34 H41 PH6 3 H13 TCP 3 -13.870 -1.744 4.304 35 H42 PH6 3 H14 TCP 3 -13.429 -0.413 3.234 36 H31 PH6 3 H15 TCP 3 -13.753 -2.531 1.904 37 H32 PH6 3 H16 TCP 3 -12.551 -3.368 2.888 38 H TRP 4 H TRP 4 -5.307 1.408 0.142 39 HA TRP 4 HA TRP 4 -4.686 -0.622 -1.968 40 HB2 TRP 4 1HB TRP 4 -3.361 2.015 -1.158 41 HB3 TRP 4 2HB TRP 4 -2.634 0.911 -2.317 42 HD1 TRP 4 HD1 TRP 4 -5.029 -0.020 -4.158 43 HE1 TRP 4 HE1 TRP 4 -6.113 1.621 -5.916 44 HE3 TRP 4 HE3 TRP 4 -3.614 4.321 -1.855 45 HZ2 TRP 4 HZ2 TRP 4 -6.189 4.444 -6.146 46 HZ3 TRP 4 HZ3 TRP 4 -4.201 6.479 -2.921 47 HH2 TRP 4 HH2 TRP 4 -5.488 6.541 -5.024 48 H PHE 5 H PHE 5 -4.219 -2.471 -0.987 49 HA PHE 5 HA PHE 5 -2.247 -2.982 1.040 50 HB2 PHE 5 2HB PHE 5 -2.849 -5.002 -1.194 51 HB3 PHE 5 1HB PHE 5 -2.348 -5.337 0.436 52 HD1 PHE 5 HD1 PHE 5 -5.116 -5.338 -1.714 53 HD2 PHE 5 HD2 PHE 5 -4.099 -4.305 2.336 54 HE1 PHE 5 HE1 PHE 5 -7.471 -5.566 -1.061 55 HE2 PHE 5 HE2 PHE 5 -6.468 -4.529 2.977 56 HZ PHE 5 HZ PHE 5 -8.157 -5.167 1.283 57 H SER 6 H SER 6 -1.801 -3.226 -2.453 58 HA SER 6 HA SER 6 1.074 -3.671 -2.655 59 HB2 SER 6 2HB SER 6 0.704 -2.305 -4.921 60 HB3 SER 6 1HB SER 6 0.066 -3.923 -4.721 61 HG SER 6 HG SER 6 -1.625 -2.797 -5.461 62 H LYS 7 H LYS 7 -0.657 -0.620 -2.215 63 HA LYS 7 HA LYS 7 1.684 1.186 -2.322 64 HB2 LYS 7 2HB LYS 7 -1.010 1.364 -0.841 65 HB3 LYS 7 1HB LYS 7 0.175 2.568 -0.519 66 HG2 LYS 7 2HG LYS 7 -0.838 1.947 -3.351 67 HG3 LYS 7 1HG LYS 7 -1.508 3.204 -2.328 68 HD2 LYS 7 2HD LYS 7 0.364 4.613 -2.414 69 HD3 LYS 7 1HD LYS 7 1.519 3.346 -2.631 70 HE2 LYS 7 2HE LYS 7 1.574 3.468 -4.883 71 HE3 LYS 7 1HE LYS 7 -0.145 3.194 -5.043 72 HZ1 LYS 7 1HZ LYS 7 0.413 5.462 -5.878 73 HZ2 LYS 7 2HZ LYS 7 -0.533 5.625 -4.545 74 HZ3 LYS 7 3HZ LYS 7 1.083 5.898 -4.441 75 H PHE 8 H PHE 8 0.505 -0.787 0.304 76 HA PHE 8 HA PHE 8 2.448 0.232 2.298 77 HB2 PHE 8 2HB PHE 8 0.220 -1.761 2.279 78 HB3 PHE 8 1HB PHE 8 1.614 -2.537 2.923 79 HD1 PHE 8 HD1 PHE 8 -1.136 -1.170 4.103 80 HD2 PHE 8 HD2 PHE 8 3.092 -0.474 4.450 81 HE1 PHE 8 HE1 PHE 8 -1.478 -0.127 6.306 82 HE2 PHE 8 HE2 PHE 8 2.747 0.577 6.633 83 HZ PHE 8 HZ PHE 8 0.461 0.760 7.576 84 H LEU 9 H LEU 9 2.339 -2.821 0.465 85 HA LEU 9 HA LEU 9 5.067 -3.675 1.040 86 HB2 LEU 9 2HB LEU 9 2.882 -4.510 -0.806 87 HB3 LEU 9 1HB LEU 9 4.387 -4.519 -1.666 88 HG LEU 9 HG LEU 9 5.447 -6.011 0.020 89 HD11 LEU 9 1HD1 LEU 9 4.606 -6.081 2.136 90 HD12 LEU 9 2HD1 LEU 9 3.059 -5.347 1.690 91 HD13 LEU 9 3HD1 LEU 9 3.284 -7.098 1.550 92 HD21 LEU 9 1HD2 LEU 9 2.865 -6.818 -1.434 93 HD22 LEU 9 2HD2 LEU 9 4.562 -7.176 -1.830 94 HD23 LEU 9 3HD2 LEU 9 3.769 -8.022 -0.494 95 H GLY 10 H GLY 10 3.980 -1.506 -1.536 96 HA2 GLY 10 1HA GLY 10 6.560 -1.074 -2.900 97 HA3 GLY 10 2HA GLY 10 5.252 0.088 -2.850 98 H ARG 11 H ARG 11 5.225 0.616 -0.093 99 HA ARG 11 HA ARG 11 7.577 2.483 0.265 100 HB2 ARG 11 2HB ARG 11 5.124 1.730 1.984 101 HB3 ARG 11 1HB ARG 11 6.387 2.703 2.642 102 HG2 ARG 11 2HG ARG 11 5.122 3.594 -0.026 103 HG3 ARG 11 1HG ARG 11 4.226 3.776 1.474 104 HD2 ARG 11 2HD ARG 11 6.627 4.840 2.338 105 HD3 ARG 11 1HD ARG 11 6.876 5.111 0.613 106 HE ARG 11 HE ARG 11 4.247 6.131 1.050 107 HH11 ARG 11 1HH1 ARG 11 6.736 8.377 3.228 108 HH12 ARG 11 2HH1 ARG 11 7.251 6.716 2.668 109 HH21 ARG 11 1HH2 ARG 11 4.803 9.063 2.663 110 HH22 ARG 11 2HH2 ARG 11 3.683 8.022 1.670 111 H ILE 12 H ILE 12 6.427 -0.409 2.036 112 HA ILE 12 HA ILE 12 8.801 -0.600 3.806 113 HB ILE 12 HB ILE 12 6.883 -2.855 3.048 114 HG12 ILE 12 2HG1 ILE 12 6.517 -0.872 5.378 115 HG13 ILE 12 1HG1 ILE 12 5.536 -0.965 3.940 116 HG21 ILE 12 1HG2 ILE 12 7.830 -3.151 5.809 117 HG22 ILE 12 2HG2 ILE 12 8.180 -4.168 4.399 118 HG23 ILE 12 3HG2 ILE 12 9.248 -2.829 4.828 119 HD11 ILE 12 1HD1 ILE 12 5.536 -2.888 6.278 120 HD12 ILE 12 2HD1 ILE 12 4.165 -2.233 5.367 121 HD13 ILE 12 3HD1 ILE 12 5.133 -3.551 4.677 122 H LEU 13 H LEU 13 8.139 -1.950 0.593 123 HA LEU 13 HA LEU 13 10.343 -3.714 0.179 124 HB2 LEU 13 2HB LEU 13 8.683 -1.851 -1.567 125 HB3 LEU 13 1HB LEU 13 10.194 -2.261 -2.266 126 HG LEU 13 HG LEU 13 8.246 -4.421 -1.282 127 HD11 LEU 13 1HD1 LEU 13 7.916 -4.641 -3.931 128 HD12 LEU 13 2HD1 LEU 13 7.031 -3.379 -3.060 129 HD13 LEU 13 3HD1 LEU 13 8.491 -2.962 -3.985 130 HD21 LEU 13 1HD2 LEU 13 9.697 -6.005 -2.267 131 HD22 LEU 13 2HD2 LEU 13 10.433 -4.840 -3.399 132 HD23 LEU 13 3HD2 LEU 13 10.903 -4.845 -1.696 133 HN1 NH2 14 1HN NH2 14 12.431 -0.236 0.157 134 HN2 NH2 14 2HN NH2 14 10.600 -0.169 0.110 Start of MODEL 6 1 H1 PHE 1 1H PHE 1 -10.984 7.742 2.732 2 H2 PHE 1 2H PHE 1 -11.315 7.246 1.171 3 H3 PHE 1 3H PHE 1 -11.697 6.283 2.430 4 HA PHE 1 HA PHE 1 -8.910 6.933 1.653 5 HB2 PHE 1 2HB PHE 1 -8.243 5.222 3.343 6 HB3 PHE 1 1HB PHE 1 -8.971 6.614 4.066 7 HD1 PHE 1 HD1 PHE 1 -9.449 2.963 3.327 8 HD2 PHE 1 HD2 PHE 1 -11.184 6.435 5.209 9 HE1 PHE 1 HE1 PHE 1 -11.127 1.546 4.436 10 HE2 PHE 1 HE2 PHE 1 -12.861 5.001 6.282 11 HZ PHE 1 HZ PHE 1 -12.834 2.560 5.908 12 H VAL 2 H VAL 2 -7.715 5.095 0.786 13 HA VAL 2 HA VAL 2 -9.513 3.157 -0.696 14 HB VAL 2 HB VAL 2 -8.381 4.859 -2.152 15 HG11 VAL 2 1HG1 VAL 2 -6.049 4.741 -0.979 16 HG12 VAL 2 2HG1 VAL 2 -5.846 3.164 -1.746 17 HG13 VAL 2 3HG1 VAL 2 -6.021 4.621 -2.757 18 HG21 VAL 2 1HG2 VAL 2 -7.774 1.899 -2.781 19 HG22 VAL 2 2HG2 VAL 2 -9.321 2.733 -3.068 20 HG23 VAL 2 3HG2 VAL 2 -7.875 3.224 -3.961 21 HA PH6 3 HA TCP 3 -7.081 -0.021 1.657 22 HB2 PH6 3 1HB TCP 3 -8.917 -1.339 1.619 23 HB3 PH6 3 2HB TCP 3 -8.077 -2.256 0.394 24 HG2 PH6 3 HG TCP 3 -9.151 -1.227 -1.431 25 HD2 PH6 3 1HD TCP 3 -10.269 1.167 0.046 26 HD3 PH6 3 2HD TCP 3 -9.525 1.013 -1.550 27 H1 PH6 3 H19 TCP 3 -10.895 -2.495 -0.256 28 H61 PH6 3 H20 TCP 3 -10.968 -1.324 1.985 29 H62 PH6 3 H21 TCP 3 -11.612 0.129 1.252 30 H21 PH6 3 H17 TCP 3 -11.505 -1.328 -2.383 31 H22 PH6 3 H18 TCP 3 -11.935 0.136 -1.512 32 H51 PH6 3 H11 TCP 3 -13.410 -1.156 2.297 33 H52 PH6 3 H12 TCP 3 -12.989 -2.604 1.374 34 H41 PH6 3 H13 TCP 3 -14.937 -1.398 0.299 35 H42 PH6 3 H14 TCP 3 -13.986 0.084 0.179 36 H31 PH6 3 H15 TCP 3 -13.997 -1.131 -2.032 37 H32 PH6 3 H16 TCP 3 -13.352 -2.586 -1.269 38 H TRP 4 H TRP 4 -5.177 0.787 0.810 39 HA TRP 4 HA TRP 4 -4.019 -0.253 -1.726 40 HB2 TRP 4 1HB TRP 4 -2.979 1.444 0.588 41 HB3 TRP 4 2HB TRP 4 -1.837 0.740 -0.507 42 HD1 TRP 4 HD1 TRP 4 -3.514 1.224 -3.361 43 HE1 TRP 4 HE1 TRP 4 -3.637 3.649 -4.391 44 HE3 TRP 4 HE3 TRP 4 -2.571 3.737 0.984 45 HZ2 TRP 4 HZ2 TRP 4 -3.300 6.239 -3.292 46 HZ3 TRP 4 HZ3 TRP 4 -2.519 6.208 0.940 47 HH2 TRP 4 HH2 TRP 4 -2.895 7.446 -1.161 48 H PHE 5 H PHE 5 -3.803 -2.316 -1.849 49 HA PHE 5 HA PHE 5 -2.610 -4.033 0.282 50 HB2 PHE 5 2HB PHE 5 -3.200 -4.973 -2.574 51 HB3 PHE 5 1HB PHE 5 -3.136 -5.910 -1.115 52 HD1 PHE 5 HD1 PHE 5 -4.957 -4.872 0.810 53 HD2 PHE 5 HD2 PHE 5 -5.352 -4.663 -3.470 54 HE1 PHE 5 HE1 PHE 5 -7.393 -4.625 1.035 55 HE2 PHE 5 HE2 PHE 5 -7.782 -4.402 -3.227 56 HZ PHE 5 HZ PHE 5 -8.812 -4.393 -0.981 57 H SER 6 H SER 6 -1.667 -3.444 -3.068 58 HA SER 6 HA SER 6 1.182 -4.313 -2.601 59 HB2 SER 6 2HB SER 6 -0.403 -4.474 -4.880 60 HB3 SER 6 1HB SER 6 0.413 -2.953 -5.218 61 HG SER 6 HG SER 6 1.951 -4.328 -5.829 62 H LYS 7 H LYS 7 -0.466 -1.228 -3.185 63 HA LYS 7 HA LYS 7 1.857 0.528 -3.356 64 HB2 LYS 7 2HB LYS 7 -0.983 0.856 -3.368 65 HB3 LYS 7 1HB LYS 7 -0.531 1.636 -1.902 66 HG2 LYS 7 2HG LYS 7 0.812 2.372 -4.569 67 HG3 LYS 7 1HG LYS 7 -0.739 2.997 -4.086 68 HD2 LYS 7 2HD LYS 7 0.344 4.700 -3.032 69 HD3 LYS 7 1HD LYS 7 0.551 3.588 -1.735 70 HE2 LYS 7 2HE LYS 7 2.801 4.063 -1.905 71 HE3 LYS 7 1HE LYS 7 2.806 2.802 -3.116 72 HZ1 LYS 7 1HZ LYS 7 3.755 4.898 -4.116 73 HZ2 LYS 7 2HZ LYS 7 2.325 4.591 -4.860 74 HZ3 LYS 7 3HZ LYS 7 2.401 5.755 -3.725 75 H PHE 8 H PHE 8 0.316 -0.764 -0.499 76 HA PHE 8 HA PHE 8 1.924 0.712 1.547 77 HB2 PHE 8 2HB PHE 8 -0.175 -1.507 1.556 78 HB3 PHE 8 1HB PHE 8 1.068 -1.774 2.709 79 HD1 PHE 8 HD1 PHE 8 -1.764 0.329 1.943 80 HD2 PHE 8 HD2 PHE 8 1.670 -0.026 4.455 81 HE1 PHE 8 HE1 PHE 8 -2.744 1.978 3.491 82 HE2 PHE 8 HE2 PHE 8 0.699 1.583 6.032 83 HZ PHE 8 HZ PHE 8 -1.514 2.599 5.558 84 H LEU 9 H LEU 9 2.060 -2.687 0.397 85 HA LEU 9 HA LEU 9 4.664 -3.309 1.502 86 HB2 LEU 9 2HB LEU 9 2.760 -4.584 -0.413 87 HB3 LEU 9 1HB LEU 9 4.366 -4.699 -1.043 88 HG LEU 9 HG LEU 9 5.191 -5.705 1.133 89 HD11 LEU 9 1HD1 LEU 9 3.629 -5.049 2.852 90 HD12 LEU 9 2HD1 LEU 9 2.201 -5.425 1.863 91 HD13 LEU 9 3HD1 LEU 9 3.171 -6.736 2.566 92 HD21 LEU 9 1HD2 LEU 9 2.870 -7.372 -0.008 93 HD22 LEU 9 2HD2 LEU 9 4.295 -6.992 -1.001 94 HD23 LEU 9 3HD2 LEU 9 4.495 -7.889 0.509 95 H GLY 10 H GLY 10 3.984 -1.819 -1.642 96 HA2 GLY 10 1HA GLY 10 6.736 -1.608 -2.651 97 HA3 GLY 10 2HA GLY 10 5.442 -0.509 -3.077 98 H ARG 11 H ARG 11 5.010 0.610 -0.521 99 HA ARG 11 HA ARG 11 7.304 2.561 -0.264 100 HB2 ARG 11 2HB ARG 11 4.490 2.314 0.947 101 HB3 ARG 11 1HB ARG 11 5.660 3.134 1.921 102 HG2 ARG 11 2HG ARG 11 5.134 3.948 -0.993 103 HG3 ARG 11 1HG ARG 11 4.299 4.634 0.399 104 HD2 ARG 11 2HD ARG 11 7.162 4.747 1.053 105 HD3 ARG 11 1HD ARG 11 7.074 5.150 -0.655 106 HE ARG 11 HE ARG 11 5.042 6.681 0.926 107 HH11 ARG 11 1HH1 ARG 11 8.668 8.329 0.875 108 HH12 ARG 11 2HH1 ARG 11 8.470 6.570 0.432 109 HH21 ARG 11 1HH2 ARG 11 6.928 9.441 1.390 110 HH22 ARG 11 2HH2 ARG 11 5.281 8.666 1.394 111 H ILE 12 H ILE 12 5.884 0.126 1.919 112 HA ILE 12 HA ILE 12 7.980 0.410 3.999 113 HB ILE 12 HB ILE 12 6.185 -2.015 3.496 114 HG12 ILE 12 2HG1 ILE 12 5.529 0.400 5.289 115 HG13 ILE 12 1HG1 ILE 12 4.744 0.030 3.780 116 HG21 ILE 12 1HG2 ILE 12 7.280 -2.955 5.278 117 HG22 ILE 12 2HG2 ILE 12 8.276 -1.520 5.543 118 HG23 ILE 12 3HG2 ILE 12 6.729 -1.662 6.359 119 HD11 ILE 12 1HD1 ILE 12 4.541 -2.383 5.471 120 HD12 ILE 12 2HD1 ILE 12 3.955 -0.955 6.345 121 HD13 ILE 12 3HD1 ILE 12 3.258 -1.411 4.764 122 H LEU 13 H LEU 13 7.786 -1.652 1.115 123 HA LEU 13 HA LEU 13 10.022 -3.387 1.415 124 HB2 LEU 13 2HB LEU 13 8.639 -1.994 -0.914 125 HB3 LEU 13 1HB LEU 13 10.236 -2.505 -1.285 126 HG LEU 13 HG LEU 13 8.141 -4.437 -0.157 127 HD11 LEU 13 1HD1 LEU 13 7.169 -4.179 -2.241 128 HD12 LEU 13 2HD1 LEU 13 8.585 -3.390 -2.961 129 HD13 LEU 13 3HD1 LEU 13 8.512 -5.153 -2.858 130 HD21 LEU 13 1HD2 LEU 13 10.537 -5.433 -1.746 131 HD22 LEU 13 2HD2 LEU 13 10.905 -4.807 -0.140 132 HD23 LEU 13 3HD2 LEU 13 9.732 -6.116 -0.312 133 HN1 NH2 14 1HN NH2 14 12.112 0.054 0.917 134 HN2 NH2 14 2HN NH2 14 10.305 0.059 0.597 Start of MODEL 7 1 H1 PHE 1 1H PHE 1 -11.151 7.632 2.701 2 H2 PHE 1 2H PHE 1 -11.364 7.127 1.124 3 H3 PHE 1 3H PHE 1 -11.864 6.180 2.355 4 HA PHE 1 HA PHE 1 -9.011 6.787 1.812 5 HB2 PHE 1 2HB PHE 1 -8.487 5.127 3.554 6 HB3 PHE 1 1HB PHE 1 -9.357 6.467 4.220 7 HD1 PHE 1 HD1 PHE 1 -9.638 2.834 3.253 8 HD2 PHE 1 HD2 PHE 1 -11.586 6.122 5.253 9 HE1 PHE 1 HE1 PHE 1 -11.350 1.306 4.129 10 HE2 PHE 1 HE2 PHE 1 -13.280 4.570 6.121 11 HZ PHE 1 HZ PHE 1 -13.170 2.167 5.562 12 H VAL 2 H VAL 2 -7.841 5.148 0.716 13 HA VAL 2 HA VAL 2 -9.569 3.076 -0.671 14 HB VAL 2 HB VAL 2 -8.563 4.816 -2.165 15 HG11 VAL 2 1HG1 VAL 2 -5.941 3.255 -1.797 16 HG12 VAL 2 2HG1 VAL 2 -6.210 4.692 -2.818 17 HG13 VAL 2 3HG1 VAL 2 -6.206 4.828 -1.039 18 HG21 VAL 2 1HG2 VAL 2 -7.999 3.189 -3.971 19 HG22 VAL 2 2HG2 VAL 2 -7.816 1.884 -2.779 20 HG23 VAL 2 3HG2 VAL 2 -9.405 2.637 -3.050 21 HA PH6 3 HA TCP 3 -6.936 0.041 1.653 22 HB2 PH6 3 1HB TCP 3 -8.706 -1.368 1.664 23 HB3 PH6 3 2HB TCP 3 -7.841 -2.248 0.430 24 HG2 PH6 3 HG TCP 3 -9.003 -1.293 -1.382 25 HD2 PH6 3 1HD TCP 3 -10.212 1.054 0.100 26 HD3 PH6 3 2HD TCP 3 -9.495 0.924 -1.511 27 H1 PH6 3 H19 TCP 3 -10.657 -2.638 -0.165 28 H61 PH6 3 H20 TCP 3 -10.748 -1.454 2.068 29 H62 PH6 3 H21 TCP 3 -11.478 -0.041 1.336 30 H21 PH6 3 H17 TCP 3 -11.366 -1.525 -2.289 31 H22 PH6 3 H18 TCP 3 -11.853 -0.076 -1.422 32 H51 PH6 3 H11 TCP 3 -13.189 -1.406 2.425 33 H52 PH6 3 H12 TCP 3 -12.712 -2.839 1.505 34 H41 PH6 3 H13 TCP 3 -14.738 -1.743 0.459 35 H42 PH6 3 H14 TCP 3 -13.866 -0.216 0.309 36 H31 PH6 3 H15 TCP 3 -13.857 -1.449 -1.892 37 H32 PH6 3 H16 TCP 3 -13.125 -2.863 -1.130 38 H TRP 4 H TRP 4 -5.075 0.893 0.785 39 HA TRP 4 HA TRP 4 -3.933 -0.082 -1.802 40 HB2 TRP 4 1HB TRP 4 -2.912 1.634 0.513 41 HB3 TRP 4 2HB TRP 4 -1.794 1.002 -0.650 42 HD1 TRP 4 HD1 TRP 4 -3.496 1.444 -3.428 43 HE1 TRP 4 HE1 TRP 4 -3.845 3.851 -4.425 44 HE3 TRP 4 HE3 TRP 4 -2.623 3.986 0.909 45 HZ2 TRP 4 HZ2 TRP 4 -3.607 6.468 -3.319 46 HZ3 TRP 4 HZ3 TRP 4 -2.648 6.452 0.878 47 HH2 TRP 4 HH2 TRP 4 -3.153 7.685 -1.198 48 H PHE 5 H PHE 5 -3.876 -2.227 -1.755 49 HA PHE 5 HA PHE 5 -2.544 -3.832 0.306 50 HB2 PHE 5 2HB PHE 5 -3.145 -4.853 -2.527 51 HB3 PHE 5 1HB PHE 5 -3.029 -5.765 -1.058 52 HD1 PHE 5 HD1 PHE 5 -4.854 -4.852 0.871 53 HD2 PHE 5 HD2 PHE 5 -5.296 -4.524 -3.397 54 HE1 PHE 5 HE1 PHE 5 -7.297 -4.710 1.123 55 HE2 PHE 5 HE2 PHE 5 -7.731 -4.364 -3.128 56 HZ PHE 5 HZ PHE 5 -8.742 -4.469 -0.874 57 H SER 6 H SER 6 -1.617 -3.661 -3.103 58 HA SER 6 HA SER 6 1.250 -4.332 -2.653 59 HB2 SER 6 2HB SER 6 -0.037 -4.849 -4.792 60 HB3 SER 6 1HB SER 6 -0.116 -3.122 -5.155 61 HG SER 6 HG SER 6 2.280 -3.177 -4.976 62 H LYS 7 H LYS 7 -0.444 -1.264 -3.232 63 HA LYS 7 HA LYS 7 1.876 0.524 -3.359 64 HB2 LYS 7 2HB LYS 7 -1.061 0.801 -3.161 65 HB3 LYS 7 1HB LYS 7 -0.377 1.818 -1.946 66 HG2 LYS 7 2HG LYS 7 0.745 1.958 -4.785 67 HG3 LYS 7 1HG LYS 7 -0.784 2.693 -4.425 68 HD2 LYS 7 2HD LYS 7 1.572 3.326 -2.520 69 HD3 LYS 7 1HD LYS 7 1.610 3.998 -4.143 70 HE2 LYS 7 2HE LYS 7 -0.949 4.742 -3.583 71 HE3 LYS 7 1HE LYS 7 -0.485 4.469 -1.907 72 HZ1 LYS 7 1HZ LYS 7 -0.092 6.822 -2.653 73 HZ2 LYS 7 2HZ LYS 7 1.354 6.147 -2.251 74 HZ3 LYS 7 3HZ LYS 7 0.920 6.324 -3.841 75 H PHE 8 H PHE 8 0.332 -0.829 -0.533 76 HA PHE 8 HA PHE 8 1.916 0.688 1.518 77 HB2 PHE 8 2HB PHE 8 -0.103 -1.619 1.528 78 HB3 PHE 8 1HB PHE 8 1.084 -1.688 2.759 79 HD1 PHE 8 HD1 PHE 8 -0.779 1.258 1.263 80 HD2 PHE 8 HD2 PHE 8 0.293 -0.910 4.796 81 HE1 PHE 8 HE1 PHE 8 -2.047 2.871 2.637 82 HE2 PHE 8 HE2 PHE 8 -0.926 0.728 6.167 83 HZ PHE 8 HZ PHE 8 -2.111 2.618 5.084 84 H LEU 9 H LEU 9 2.045 -2.711 0.401 85 HA LEU 9 HA LEU 9 4.637 -3.330 1.528 86 HB2 LEU 9 2HB LEU 9 2.742 -4.574 -0.410 87 HB3 LEU 9 1HB LEU 9 4.309 -4.714 -1.053 88 HG LEU 9 HG LEU 9 4.457 -5.449 1.837 89 HD11 LEU 9 1HD1 LEU 9 3.059 -7.678 1.331 90 HD12 LEU 9 2HD1 LEU 9 2.252 -6.217 1.934 91 HD13 LEU 9 3HD1 LEU 9 2.156 -6.642 0.212 92 HD21 LEU 9 1HD2 LEU 9 5.618 -7.369 1.008 93 HD22 LEU 9 2HD2 LEU 9 4.911 -7.232 -0.621 94 HD23 LEU 9 3HD2 LEU 9 6.103 -6.037 -0.053 95 H GLY 10 H GLY 10 3.994 -1.839 -1.620 96 HA2 GLY 10 1HA GLY 10 6.754 -1.631 -2.622 97 HA3 GLY 10 2HA GLY 10 5.461 -0.528 -3.037 98 H ARG 11 H ARG 11 5.006 0.585 -0.498 99 HA ARG 11 HA ARG 11 7.264 2.585 -0.243 100 HB2 ARG 11 2HB ARG 11 4.619 2.186 1.310 101 HB3 ARG 11 1HB ARG 11 5.770 3.411 1.738 102 HG2 ARG 11 2HG ARG 11 4.900 3.364 -1.194 103 HG3 ARG 11 1HG ARG 11 3.673 3.826 -0.023 104 HD2 ARG 11 2HD ARG 11 4.979 5.689 0.847 105 HD3 ARG 11 1HD ARG 11 6.484 5.097 0.113 106 HE ARG 11 HE ARG 11 4.711 5.544 -2.108 107 HH11 ARG 11 1HH1 ARG 11 6.721 8.771 -0.884 108 HH12 ARG 11 2HH1 ARG 11 6.529 7.331 0.219 109 HH21 ARG 11 1HH2 ARG 11 5.813 8.682 -2.800 110 HH22 ARG 11 2HH2 ARG 11 4.913 7.201 -3.358 111 H ILE 12 H ILE 12 5.857 0.131 1.938 112 HA ILE 12 HA ILE 12 7.919 0.425 4.052 113 HB ILE 12 HB ILE 12 6.131 -2.000 3.526 114 HG12 ILE 12 2HG1 ILE 12 5.412 0.441 5.266 115 HG13 ILE 12 1HG1 ILE 12 4.674 0.010 3.748 116 HG21 ILE 12 1HG2 ILE 12 7.188 -2.939 5.324 117 HG22 ILE 12 2HG2 ILE 12 8.176 -1.504 5.607 118 HG23 ILE 12 3HG2 ILE 12 6.615 -1.646 6.396 119 HD11 ILE 12 1HD1 ILE 12 4.130 -2.357 4.986 120 HD12 ILE 12 2HD1 ILE 12 4.242 -1.315 6.422 121 HD13 ILE 12 3HD1 ILE 12 3.068 -0.935 5.139 122 H LEU 13 H LEU 13 7.774 -1.607 1.151 123 HA LEU 13 HA LEU 13 9.963 -3.390 1.523 124 HB2 LEU 13 2HB LEU 13 8.615 -2.040 -0.847 125 HB3 LEU 13 1HB LEU 13 10.207 -2.556 -1.200 126 HG LEU 13 HG LEU 13 8.129 -4.506 -0.055 127 HD11 LEU 13 1HD1 LEU 13 8.214 -5.290 -2.621 128 HD12 LEU 13 2HD1 LEU 13 7.198 -3.911 -2.178 129 HD13 LEU 13 3HD1 LEU 13 8.778 -3.638 -2.945 130 HD21 LEU 13 1HD2 LEU 13 10.822 -4.981 -1.523 131 HD22 LEU 13 2HD2 LEU 13 10.599 -5.128 0.232 132 HD23 LEU 13 3HD2 LEU 13 9.740 -6.233 -0.853 133 HN1 NH2 14 1HN NH2 14 12.199 -0.068 0.585 134 HN2 NH2 14 2HN NH2 14 10.473 -0.184 -0.066 Start of MODEL 8 1 H1 PHE 1 1H PHE 1 -11.245 7.461 2.916 2 H2 PHE 1 2H PHE 1 -11.803 6.857 1.464 3 H3 PHE 1 3H PHE 1 -11.710 5.879 2.759 4 HA PHE 1 HA PHE 1 -9.351 7.043 1.387 5 HB2 PHE 1 2HB PHE 1 -7.954 5.851 2.910 6 HB3 PHE 1 1HB PHE 1 -9.055 6.730 3.910 7 HD1 PHE 1 HD1 PHE 1 -7.623 3.478 3.250 8 HD2 PHE 1 HD2 PHE 1 -11.211 5.320 4.788 9 HE1 PHE 1 HE1 PHE 1 -8.272 1.368 4.326 10 HE2 PHE 1 HE2 PHE 1 -11.860 3.187 5.793 11 HZ PHE 1 HZ PHE 1 -10.390 1.215 5.590 12 H VAL 2 H VAL 2 -7.876 5.114 0.679 13 HA VAL 2 HA VAL 2 -9.607 3.064 -0.722 14 HB VAL 2 HB VAL 2 -8.590 4.778 -2.256 15 HG11 VAL 2 1HG1 VAL 2 -5.964 3.214 -1.911 16 HG12 VAL 2 2HG1 VAL 2 -6.243 4.680 -2.888 17 HG13 VAL 2 3HG1 VAL 2 -6.222 4.765 -1.109 18 HG21 VAL 2 1HG2 VAL 2 -9.459 2.606 -3.098 19 HG22 VAL 2 2HG2 VAL 2 -8.035 3.103 -4.026 20 HG23 VAL 2 3HG2 VAL 2 -7.886 1.824 -2.801 21 HA PH6 3 HA TCP 3 -6.959 0.082 1.656 22 HB2 PH6 3 1HB TCP 3 -8.713 -1.345 1.698 23 HB3 PH6 3 2HB TCP 3 -7.851 -2.243 0.471 24 HG2 PH6 3 HG TCP 3 -9.046 -1.315 -1.342 25 HD2 PH6 3 1HD TCP 3 -10.239 1.058 0.110 26 HD3 PH6 3 2HD TCP 3 -9.540 0.900 -1.504 27 H1 PH6 3 H19 TCP 3 -10.690 -2.636 -0.081 28 H61 PH6 3 H20 TCP 3 -10.755 -1.407 2.130 29 H62 PH6 3 H21 TCP 3 -11.492 -0.009 1.379 30 H21 PH6 3 H17 TCP 3 -11.419 -1.557 -2.218 31 H22 PH6 3 H18 TCP 3 -11.895 -0.093 -1.371 32 H51 PH6 3 H11 TCP 3 -13.193 -1.350 2.511 33 H52 PH6 3 H12 TCP 3 -12.728 -2.801 1.614 34 H41 PH6 3 H13 TCP 3 -14.764 -1.721 0.568 35 H42 PH6 3 H14 TCP 3 -13.892 -0.199 0.380 36 H31 PH6 3 H15 TCP 3 -13.906 -1.472 -1.797 37 H32 PH6 3 H16 TCP 3 -13.168 -2.873 -1.017 38 H TRP 4 H TRP 4 -5.081 0.883 0.804 39 HA TRP 4 HA TRP 4 -3.943 -0.140 -1.771 40 HB2 TRP 4 1HB TRP 4 -2.913 1.631 0.503 41 HB3 TRP 4 2HB TRP 4 -1.796 0.953 -0.621 42 HD1 TRP 4 HD1 TRP 4 -3.543 1.311 -3.442 43 HE1 TRP 4 HE1 TRP 4 -3.863 3.694 -4.512 44 HE3 TRP 4 HE3 TRP 4 -2.626 3.979 0.811 45 HZ2 TRP 4 HZ2 TRP 4 -3.592 6.332 -3.500 46 HZ3 TRP 4 HZ3 TRP 4 -2.693 6.448 0.705 47 HH2 TRP 4 HH2 TRP 4 -3.187 7.611 -1.414 48 H PHE 5 H PHE 5 -3.872 -2.263 -1.715 49 HA PHE 5 HA PHE 5 -2.533 -3.853 0.377 50 HB2 PHE 5 2HB PHE 5 -3.158 -4.915 -2.439 51 HB3 PHE 5 1HB PHE 5 -3.018 -5.803 -0.959 52 HD1 PHE 5 HD1 PHE 5 -4.859 -5.309 0.906 53 HD2 PHE 5 HD2 PHE 5 -5.281 -4.142 -3.212 54 HE1 PHE 5 HE1 PHE 5 -7.302 -5.147 1.191 55 HE2 PHE 5 HE2 PHE 5 -7.713 -3.973 -2.913 56 HZ PHE 5 HZ PHE 5 -8.734 -4.495 -0.722 57 H SER 6 H SER 6 -1.659 -3.525 -3.047 58 HA SER 6 HA SER 6 1.195 -4.304 -2.662 59 HB2 SER 6 2HB SER 6 1.417 -4.103 -5.008 60 HB3 SER 6 1HB SER 6 -0.213 -4.727 -4.795 61 HG SER 6 HG SER 6 0.174 -2.846 -6.286 62 H LYS 7 H LYS 7 -0.437 -1.218 -3.231 63 HA LYS 7 HA LYS 7 1.866 0.541 -3.296 64 HB2 LYS 7 2HB LYS 7 -1.053 0.854 -3.028 65 HB3 LYS 7 1HB LYS 7 -0.331 1.860 -1.810 66 HG2 LYS 7 2HG LYS 7 0.419 1.975 -4.766 67 HG3 LYS 7 1HG LYS 7 -0.782 2.996 -3.976 68 HD2 LYS 7 2HD LYS 7 0.829 4.133 -2.554 69 HD3 LYS 7 1HD LYS 7 2.055 2.918 -2.791 70 HE2 LYS 7 2HE LYS 7 2.727 4.876 -4.073 71 HE3 LYS 7 1HE LYS 7 2.432 3.514 -5.151 72 HZ1 LYS 7 1HZ LYS 7 1.259 5.568 -6.017 73 HZ2 LYS 7 2HZ LYS 7 0.144 4.440 -5.596 74 HZ3 LYS 7 3HZ LYS 7 0.395 5.714 -4.614 75 H PHE 8 H PHE 8 0.337 -0.782 -0.466 76 HA PHE 8 HA PHE 8 1.959 0.672 1.592 77 HB2 PHE 8 2HB PHE 8 -0.121 -1.576 1.555 78 HB3 PHE 8 1HB PHE 8 1.087 -1.761 2.749 79 HD1 PHE 8 HD1 PHE 8 -0.719 1.335 1.442 80 HD2 PHE 8 HD2 PHE 8 0.400 -1.051 4.832 81 HE1 PHE 8 HE1 PHE 8 -1.783 2.970 2.943 82 HE2 PHE 8 HE2 PHE 8 -0.668 0.574 6.327 83 HZ PHE 8 HZ PHE 8 -1.764 2.592 5.393 84 H LEU 9 H LEU 9 2.058 -2.703 0.399 85 HA LEU 9 HA LEU 9 4.654 -3.357 1.506 86 HB2 LEU 9 2HB LEU 9 2.748 -4.612 -0.425 87 HB3 LEU 9 1HB LEU 9 4.355 -4.705 -1.062 88 HG LEU 9 HG LEU 9 5.150 -5.637 1.222 89 HD11 LEU 9 1HD1 LEU 9 3.040 -4.917 2.526 90 HD12 LEU 9 2HD1 LEU 9 2.105 -6.116 1.612 91 HD13 LEU 9 3HD1 LEU 9 3.414 -6.642 2.701 92 HD21 LEU 9 1HD2 LEU 9 4.871 -7.803 0.414 93 HD22 LEU 9 2HD2 LEU 9 3.157 -7.595 -0.016 94 HD23 LEU 9 3HD2 LEU 9 4.431 -6.940 -1.061 95 H GLY 10 H GLY 10 3.990 -1.816 -1.615 96 HA2 GLY 10 1HA GLY 10 6.738 -1.604 -2.636 97 HA3 GLY 10 2HA GLY 10 5.446 -0.494 -3.031 98 H ARG 11 H ARG 11 5.017 0.623 -0.497 99 HA ARG 11 HA ARG 11 7.305 2.583 -0.218 100 HB2 ARG 11 2HB ARG 11 4.611 2.198 1.244 101 HB3 ARG 11 1HB ARG 11 5.793 3.316 1.846 102 HG2 ARG 11 2HG ARG 11 5.145 3.605 -1.113 103 HG3 ARG 11 1HG ARG 11 3.836 3.989 -0.031 104 HD2 ARG 11 2HD ARG 11 6.691 5.138 0.384 105 HD3 ARG 11 1HD ARG 11 5.577 5.903 -0.757 106 HE ARG 11 HE ARG 11 4.005 5.679 1.629 107 HH11 ARG 11 1HH1 ARG 11 6.893 8.335 2.319 108 HH12 ARG 11 2HH1 ARG 11 7.116 7.061 1.029 109 HH21 ARG 11 1HH2 ARG 11 5.061 8.365 3.396 110 HH22 ARG 11 2HH2 ARG 11 3.750 7.147 3.060 111 H ILE 12 H ILE 12 5.903 0.099 1.935 112 HA ILE 12 HA ILE 12 7.985 0.370 4.034 113 HB ILE 12 HB ILE 12 6.183 -2.044 3.507 114 HG12 ILE 12 2HG1 ILE 12 5.502 0.379 5.286 115 HG13 ILE 12 1HG1 ILE 12 4.743 -0.018 3.772 116 HG21 ILE 12 1HG2 ILE 12 6.696 -1.721 6.373 117 HG22 ILE 12 2HG2 ILE 12 7.262 -3.002 5.283 118 HG23 ILE 12 3HG2 ILE 12 8.253 -1.569 5.573 119 HD11 ILE 12 1HD1 ILE 12 4.178 -1.198 6.431 120 HD12 ILE 12 2HD1 ILE 12 3.146 -1.134 4.979 121 HD13 ILE 12 3HD1 ILE 12 4.338 -2.438 5.171 122 H LEU 13 H LEU 13 7.808 -1.643 1.127 123 HA LEU 13 HA LEU 13 10.002 -3.445 1.433 124 HB2 LEU 13 2HB LEU 13 8.600 -2.034 -0.866 125 HB3 LEU 13 1HB LEU 13 10.180 -2.521 -1.270 126 HG LEU 13 HG LEU 13 8.181 -4.554 -0.124 127 HD11 LEU 13 1HD1 LEU 13 8.252 -5.150 -2.816 128 HD12 LEU 13 2HD1 LEU 13 7.050 -4.080 -2.091 129 HD13 LEU 13 3HD1 LEU 13 8.454 -3.391 -2.929 130 HD21 LEU 13 1HD2 LEU 13 10.992 -4.695 -1.388 131 HD22 LEU 13 2HD2 LEU 13 10.378 -5.471 0.086 132 HD23 LEU 13 3HD2 LEU 13 9.893 -6.085 -1.503 133 HN1 NH2 14 1HN NH2 14 12.214 -0.088 0.543 134 HN2 NH2 14 2HN NH2 14 10.475 -0.188 -0.075 Start of MODEL 9 1 H1 PHE 1 1H PHE 1 -11.866 7.065 3.049 2 H2 PHE 1 2H PHE 1 -12.351 6.418 1.590 3 H3 PHE 1 3H PHE 1 -12.108 5.438 2.871 4 HA PHE 1 HA PHE 1 -9.941 6.950 1.515 5 HB2 PHE 1 2HB PHE 1 -8.381 5.737 2.969 6 HB3 PHE 1 1HB PHE 1 -9.467 6.676 3.933 7 HD1 PHE 1 HD1 PHE 1 -8.581 3.173 2.870 8 HD2 PHE 1 HD2 PHE 1 -11.025 5.546 5.513 9 HE1 PHE 1 HE1 PHE 1 -9.245 1.151 4.091 10 HE2 PHE 1 HE2 PHE 1 -11.664 3.508 6.726 11 HZ PHE 1 HZ PHE 1 -10.781 1.311 6.022 12 H VAL 2 H VAL 2 -8.319 5.464 0.488 13 HA VAL 2 HA VAL 2 -9.752 3.217 -0.929 14 HB VAL 2 HB VAL 2 -8.804 5.061 -2.336 15 HG11 VAL 2 1HG1 VAL 2 -6.064 3.712 -1.959 16 HG12 VAL 2 2HG1 VAL 2 -6.434 5.239 -2.813 17 HG13 VAL 2 3HG1 VAL 2 -6.508 5.146 -1.036 18 HG21 VAL 2 1HG2 VAL 2 -9.445 2.869 -3.310 19 HG22 VAL 2 2HG2 VAL 2 -8.000 3.491 -4.125 20 HG23 VAL 2 3HG2 VAL 2 -7.848 2.185 -2.925 21 HA PH6 3 HA TCP 3 -7.015 0.371 1.508 22 HB2 PH6 3 1HB TCP 3 -8.713 -1.175 1.356 23 HB3 PH6 3 2HB TCP 3 -7.647 -1.969 0.192 24 HG2 PH6 3 HG TCP 3 -8.763 -0.997 -1.706 25 HD2 PH6 3 1HD TCP 3 -10.282 1.053 -0.033 26 HD3 PH6 3 2HD TCP 3 -9.583 1.154 -1.675 27 H1 PH6 3 H19 TCP 3 -12.152 -3.576 0.566 28 H61 PH6 3 H20 TCP 3 -9.702 -3.268 0.226 29 H62 PH6 3 H21 TCP 3 -9.937 -3.250 -1.548 30 H21 PH6 3 H17 TCP 3 -12.251 -3.747 -2.532 31 H22 PH6 3 H18 TCP 3 -11.475 -4.866 -0.437 32 H51 PH6 3 H11 TCP 3 -11.063 -1.162 0.361 33 H52 PH6 3 H12 TCP 3 -11.800 -0.020 -1.790 34 H41 PH6 3 H13 TCP 3 -11.129 -1.341 -2.740 35 H42 PH6 3 H14 TCP 3 -13.613 -1.626 -2.439 36 H31 PH6 3 H15 TCP 3 -13.433 -1.559 -0.683 37 H32 PH6 3 H16 TCP 3 -13.625 -3.959 -1.446 38 H TRP 4 H TRP 4 -4.942 0.462 1.204 39 HA TRP 4 HA TRP 4 -3.643 0.112 -1.557 40 HB2 TRP 4 1HB TRP 4 -2.678 1.343 1.065 41 HB3 TRP 4 2HB TRP 4 -1.611 1.040 -0.279 42 HD1 TRP 4 HD1 TRP 4 -2.872 2.190 -2.803 43 HE1 TRP 4 HE1 TRP 4 -3.431 4.773 -3.159 44 HE3 TRP 4 HE3 TRP 4 -3.501 3.315 2.105 45 HZ2 TRP 4 HZ2 TRP 4 -4.046 6.862 -1.377 46 HZ3 TRP 4 HZ3 TRP 4 -4.100 5.621 2.743 47 HH2 TRP 4 HH2 TRP 4 -4.399 7.370 1.027 48 H PHE 5 H PHE 5 -3.821 -2.114 -1.617 49 HA PHE 5 HA PHE 5 -2.557 -3.894 0.341 50 HB2 PHE 5 2HB PHE 5 -3.129 -4.736 -2.564 51 HB3 PHE 5 1HB PHE 5 -3.063 -5.724 -1.144 52 HD1 PHE 5 HD1 PHE 5 -4.865 -5.119 0.764 53 HD2 PHE 5 HD2 PHE 5 -5.216 -3.936 -3.363 54 HE1 PHE 5 HE1 PHE 5 -7.318 -5.079 0.968 55 HE2 PHE 5 HE2 PHE 5 -7.662 -3.905 -3.136 56 HZ PHE 5 HZ PHE 5 -8.682 -4.780 -1.040 57 H SER 6 H SER 6 -1.623 -3.556 -3.024 58 HA SER 6 HA SER 6 1.222 -4.321 -2.558 59 HB2 SER 6 2HB SER 6 -0.446 -4.457 -4.821 60 HB3 SER 6 1HB SER 6 0.493 -3.016 -5.200 61 HG SER 6 HG SER 6 1.532 -4.985 -5.842 62 H LYS 7 H LYS 7 -0.422 -1.256 -3.099 63 HA LYS 7 HA LYS 7 1.908 0.553 -3.283 64 HB2 LYS 7 2HB LYS 7 -1.051 0.858 -2.548 65 HB3 LYS 7 1HB LYS 7 -0.013 2.084 -1.924 66 HG2 LYS 7 2HG LYS 7 -0.362 3.181 -3.838 67 HG3 LYS 7 1HG LYS 7 0.968 2.220 -4.442 68 HD2 LYS 7 2HD LYS 7 -1.018 0.453 -5.102 69 HD3 LYS 7 1HD LYS 7 -2.065 1.842 -4.833 70 HE2 LYS 7 2HE LYS 7 -0.275 3.109 -6.491 71 HE3 LYS 7 1HE LYS 7 0.185 1.463 -6.925 72 HZ1 LYS 7 1HZ LYS 7 -1.687 2.288 -8.384 73 HZ2 LYS 7 2HZ LYS 7 -2.256 1.034 -7.490 74 HZ3 LYS 7 3HZ LYS 7 -2.644 2.572 -7.085 75 H PHE 8 H PHE 8 0.380 -0.836 -0.445 76 HA PHE 8 HA PHE 8 2.050 0.645 1.558 77 HB2 PHE 8 2HB PHE 8 -0.034 -1.594 1.624 78 HB3 PHE 8 1HB PHE 8 1.198 -1.740 2.802 79 HD1 PHE 8 HD1 PHE 8 0.295 -1.131 4.852 80 HD2 PHE 8 HD2 PHE 8 -0.355 1.482 1.510 81 HE1 PHE 8 HE1 PHE 8 -0.794 0.505 6.329 82 HE2 PHE 8 HE2 PHE 8 -1.438 3.106 2.980 83 HZ PHE 8 HZ PHE 8 -1.699 2.617 5.392 84 H LEU 9 H LEU 9 2.114 -2.743 0.417 85 HA LEU 9 HA LEU 9 4.715 -3.388 1.519 86 HB2 LEU 9 2HB LEU 9 2.817 -4.662 -0.416 87 HB3 LEU 9 1HB LEU 9 4.429 -4.781 -1.026 88 HG LEU 9 HG LEU 9 5.127 -5.634 1.392 89 HD11 LEU 9 1HD1 LEU 9 3.422 -6.512 2.809 90 HD12 LEU 9 2HD1 LEU 9 2.675 -4.995 2.285 91 HD13 LEU 9 3HD1 LEU 9 2.181 -6.525 1.532 92 HD21 LEU 9 1HD2 LEU 9 4.346 -8.003 0.682 93 HD22 LEU 9 2HD2 LEU 9 3.512 -7.231 -0.691 94 HD23 LEU 9 3HD2 LEU 9 5.277 -7.089 -0.520 95 H GLY 10 H GLY 10 4.028 -1.869 -1.603 96 HA2 GLY 10 1HA GLY 10 6.767 -1.685 -2.658 97 HA3 GLY 10 2HA GLY 10 5.474 -0.573 -3.050 98 H ARG 11 H ARG 11 5.061 0.569 -0.521 99 HA ARG 11 HA ARG 11 7.370 2.497 -0.287 100 HB2 ARG 11 2HB ARG 11 4.696 2.178 1.238 101 HB3 ARG 11 1HB ARG 11 5.891 3.327 1.759 102 HG2 ARG 11 2HG ARG 11 4.816 3.366 -1.133 103 HG3 ARG 11 1HG ARG 11 3.984 4.189 0.188 104 HD2 ARG 11 2HD ARG 11 6.005 5.529 0.752 105 HD3 ARG 11 1HD ARG 11 6.985 4.681 -0.459 106 HE ARG 11 HE ARG 11 4.797 5.704 -1.978 107 HH11 ARG 11 1HH1 ARG 11 7.337 8.623 -0.958 108 HH12 ARG 11 2HH1 ARG 11 7.303 7.058 -0.017 109 HH21 ARG 11 1HH2 ARG 11 5.991 8.822 -2.602 110 HH22 ARG 11 2HH2 ARG 11 4.843 7.474 -3.045 111 H ILE 12 H ILE 12 5.959 0.088 1.927 112 HA ILE 12 HA ILE 12 8.066 0.360 3.996 113 HB ILE 12 HB ILE 12 6.253 -2.053 3.504 114 HG12 ILE 12 2HG1 ILE 12 5.586 0.395 5.254 115 HG13 ILE 12 1HG1 ILE 12 4.817 -0.031 3.753 116 HG21 ILE 12 1HG2 ILE 12 6.794 -1.699 6.364 117 HG22 ILE 12 2HG2 ILE 12 7.334 -3.000 5.284 118 HG23 ILE 12 3HG2 ILE 12 8.342 -1.573 5.545 119 HD11 ILE 12 1HD1 ILE 12 4.382 -1.290 6.441 120 HD12 ILE 12 2HD1 ILE 12 3.226 -1.010 5.114 121 HD13 ILE 12 3HD1 ILE 12 4.327 -2.408 5.060 122 H LEU 13 H LEU 13 7.856 -1.680 1.107 123 HA LEU 13 HA LEU 13 10.056 -3.470 1.428 124 HB2 LEU 13 2HB LEU 13 8.670 -2.094 -0.905 125 HB3 LEU 13 1HB LEU 13 10.251 -2.617 -1.290 126 HG LEU 13 HG LEU 13 8.158 -4.552 -0.146 127 HD11 LEU 13 1HD1 LEU 13 8.605 -5.165 -2.911 128 HD12 LEU 13 2HD1 LEU 13 7.168 -4.401 -2.213 129 HD13 LEU 13 3HD1 LEU 13 8.460 -3.405 -2.900 130 HD21 LEU 13 1HD2 LEU 13 9.792 -6.277 -1.117 131 HD22 LEU 13 2HD2 LEU 13 10.940 -4.953 -1.446 132 HD23 LEU 13 3HD2 LEU 13 10.476 -5.344 0.224 133 HN1 NH2 14 1HN NH2 14 10.444 -0.148 0.098 134 HN2 NH2 14 2HN NH2 14 12.213 -0.084 0.607 Start of MODEL 10 1 H1 PHE 1 1H PHE 1 -11.093 7.494 3.007 2 H2 PHE 1 2H PHE 1 -11.364 7.040 1.424 3 H3 PHE 1 3H PHE 1 -11.744 6.018 2.637 4 HA PHE 1 HA PHE 1 -8.967 6.808 1.967 5 HB2 PHE 1 2HB PHE 1 -8.211 5.254 3.645 6 HB3 PHE 1 1HB PHE 1 -9.268 6.384 4.421 7 HD1 PHE 1 HD1 PHE 1 -8.621 2.849 3.765 8 HD2 PHE 1 HD2 PHE 1 -11.749 5.584 4.927 9 HE1 PHE 1 HE1 PHE 1 -9.983 0.974 4.588 10 HE2 PHE 1 HE2 PHE 1 -13.107 3.690 5.683 11 HZ PHE 1 HZ PHE 1 -12.227 1.389 5.536 12 H VAL 2 H VAL 2 -7.774 5.272 0.751 13 HA VAL 2 HA VAL 2 -9.484 3.255 -0.717 14 HB VAL 2 HB VAL 2 -8.358 5.028 -2.081 15 HG11 VAL 2 1HG1 VAL 2 -5.973 4.820 -2.670 16 HG12 VAL 2 2HG1 VAL 2 -6.054 4.951 -0.893 17 HG13 VAL 2 3HG1 VAL 2 -5.794 3.373 -1.646 18 HG21 VAL 2 1HG2 VAL 2 -7.679 2.109 -2.814 19 HG22 VAL 2 2HG2 VAL 2 -9.239 2.921 -3.094 20 HG23 VAL 2 3HG2 VAL 2 -7.791 3.477 -3.943 21 HA PH6 3 HA TCP 3 -7.037 0.022 1.551 22 HB2 PH6 3 1HB TCP 3 -8.828 -1.347 1.413 23 HB3 PH6 3 2HB TCP 3 -7.937 -2.186 0.165 24 HG2 PH6 3 HG TCP 3 -9.019 -1.097 -1.628 25 HD2 PH6 3 1HD TCP 3 -10.208 1.209 -0.066 26 HD3 PH6 3 2HD TCP 3 -9.440 1.139 -1.656 27 H1 PH6 3 H19 TCP 3 -12.876 -2.663 1.052 28 H61 PH6 3 H20 TCP 3 -14.829 -1.452 -0.008 29 H62 PH6 3 H21 TCP 3 -13.906 0.051 -0.051 30 H21 PH6 3 H17 TCP 3 -11.552 0.099 1.065 31 H22 PH6 3 H18 TCP 3 -13.342 -1.262 2.024 32 H51 PH6 3 H11 TCP 3 -13.855 -1.071 -2.309 33 H52 PH6 3 H12 TCP 3 -13.195 -2.543 -1.595 34 H41 PH6 3 H13 TCP 3 -11.354 -1.206 -2.623 35 H42 PH6 3 H14 TCP 3 -11.828 0.212 -1.700 36 H31 PH6 3 H15 TCP 3 -10.757 -2.447 -0.534 37 H32 PH6 3 H16 TCP 3 -10.890 -1.369 1.751 38 H TRP 4 H TRP 4 -5.085 0.773 0.889 39 HA TRP 4 HA TRP 4 -3.842 -0.076 -1.710 40 HB2 TRP 4 1HB TRP 4 -2.860 1.465 0.750 41 HB3 TRP 4 2HB TRP 4 -1.702 0.860 -0.378 42 HD1 TRP 4 HD1 TRP 4 -3.336 1.490 -3.232 43 HE1 TRP 4 HE1 TRP 4 -3.547 3.957 -4.117 44 HE3 TRP 4 HE3 TRP 4 -2.528 3.775 1.260 45 HZ2 TRP 4 HZ2 TRP 4 -3.255 6.496 -2.880 46 HZ3 TRP 4 HZ3 TRP 4 -2.525 6.245 1.354 47 HH2 TRP 4 HH2 TRP 4 -2.900 7.592 -0.680 48 H PHE 5 H PHE 5 -3.739 -2.173 -1.876 49 HA PHE 5 HA PHE 5 -2.607 -3.969 0.200 50 HB2 PHE 5 2HB PHE 5 -3.143 -4.813 -2.707 51 HB3 PHE 5 1HB PHE 5 -3.101 -5.797 -1.285 52 HD1 PHE 5 HD1 PHE 5 -5.001 -5.312 0.537 53 HD2 PHE 5 HD2 PHE 5 -5.202 -3.960 -3.541 54 HE1 PHE 5 HE1 PHE 5 -7.447 -5.087 0.721 55 HE2 PHE 5 HE2 PHE 5 -7.639 -3.731 -3.343 56 HZ PHE 5 HZ PHE 5 -8.772 -4.312 -1.224 57 H SER 6 H SER 6 -1.589 -3.713 -3.164 58 HA SER 6 HA SER 6 1.254 -4.425 -2.624 59 HB2 SER 6 2HB SER 6 0.027 -3.281 -5.228 60 HB3 SER 6 1HB SER 6 1.596 -4.066 -5.045 61 HG SER 6 HG SER 6 -0.878 -5.217 -5.271 62 H LYS 7 H LYS 7 -0.381 -1.357 -3.361 63 HA LYS 7 HA LYS 7 1.948 0.416 -3.528 64 HB2 LYS 7 2HB LYS 7 -0.507 1.033 -4.049 65 HB3 LYS 7 1HB LYS 7 -0.829 0.963 -2.345 66 HG2 LYS 7 2HG LYS 7 -0.567 3.283 -2.848 67 HG3 LYS 7 1HG LYS 7 0.861 2.871 -1.946 68 HD2 LYS 7 2HD LYS 7 2.292 2.850 -3.935 69 HD3 LYS 7 1HD LYS 7 0.947 2.590 -5.011 70 HE2 LYS 7 2HE LYS 7 1.391 4.831 -5.483 71 HE3 LYS 7 1HE LYS 7 0.003 4.936 -4.398 72 HZ1 LYS 7 1HZ LYS 7 1.826 6.441 -3.633 73 HZ2 LYS 7 2HZ LYS 7 1.613 5.218 -2.507 74 HZ3 LYS 7 3HZ LYS 7 2.898 5.173 -3.555 75 H PHE 8 H PHE 8 0.334 -0.864 -0.678 76 HA PHE 8 HA PHE 8 1.841 0.739 1.341 77 HB2 PHE 8 2HB PHE 8 -0.431 -1.143 1.384 78 HB3 PHE 8 1HB PHE 8 0.783 -1.881 2.323 79 HD1 PHE 8 HD1 PHE 8 -0.624 1.608 1.829 80 HD2 PHE 8 HD2 PHE 8 0.788 -1.341 4.613 81 HE1 PHE 8 HE1 PHE 8 -1.141 3.126 3.705 82 HE2 PHE 8 HE2 PHE 8 0.281 0.175 6.478 83 HZ PHE 8 HZ PHE 8 -0.690 2.409 6.036 84 H LEU 9 H LEU 9 2.018 -2.696 0.365 85 HA LEU 9 HA LEU 9 4.580 -3.272 1.587 86 HB2 LEU 9 2HB LEU 9 2.740 -4.630 -0.340 87 HB3 LEU 9 1HB LEU 9 4.371 -4.763 -0.911 88 HG LEU 9 HG LEU 9 5.098 -5.595 1.405 89 HD11 LEU 9 1HD1 LEU 9 2.167 -6.321 1.979 90 HD12 LEU 9 2HD1 LEU 9 3.538 -6.135 3.098 91 HD13 LEU 9 3HD1 LEU 9 2.721 -4.708 2.450 92 HD21 LEU 9 1HD2 LEU 9 4.725 -7.089 -0.589 93 HD22 LEU 9 2HD2 LEU 9 4.291 -7.908 0.923 94 HD23 LEU 9 3HD2 LEU 9 3.012 -7.275 -0.146 95 H GLY 10 H GLY 10 4.009 -1.898 -1.630 96 HA2 GLY 10 1HA GLY 10 6.785 -1.720 -2.569 97 HA3 GLY 10 2HA GLY 10 5.507 -0.631 -3.055 98 H ARG 11 H ARG 11 5.010 0.575 -0.566 99 HA ARG 11 HA ARG 11 7.272 2.581 -0.338 100 HB2 ARG 11 2HB ARG 11 4.601 2.222 1.173 101 HB3 ARG 11 1HB ARG 11 5.747 3.438 1.609 102 HG2 ARG 11 2HG ARG 11 4.939 3.426 -1.343 103 HG3 ARG 11 1HG ARG 11 3.664 3.770 -0.180 104 HD2 ARG 11 2HD ARG 11 5.488 5.470 0.902 105 HD3 ARG 11 1HD ARG 11 6.323 5.297 -0.650 106 HE ARG 11 HE ARG 11 3.494 5.905 -1.151 107 HH11 ARG 11 1HH1 ARG 11 5.463 9.143 0.114 108 HH12 ARG 11 2HH1 ARG 11 6.149 7.475 0.397 109 HH21 ARG 11 1HH2 ARG 11 3.650 9.305 -0.950 110 HH22 ARG 11 2HH2 ARG 11 2.730 7.846 -1.517 111 H ILE 12 H ILE 12 5.803 0.198 1.902 112 HA ILE 12 HA ILE 12 7.816 0.578 4.050 113 HB ILE 12 HB ILE 12 6.039 -1.866 3.582 114 HG12 ILE 12 2HG1 ILE 12 5.294 0.641 5.215 115 HG13 ILE 12 1HG1 ILE 12 4.580 0.150 3.702 116 HG21 ILE 12 1HG2 ILE 12 7.053 -2.739 5.436 117 HG22 ILE 12 2HG2 ILE 12 8.045 -1.299 5.682 118 HG23 ILE 12 3HG2 ILE 12 6.471 -1.403 6.446 119 HD11 ILE 12 1HD1 ILE 12 3.965 -2.149 4.961 120 HD12 ILE 12 2HD1 ILE 12 4.153 -1.136 6.414 121 HD13 ILE 12 3HD1 ILE 12 2.973 -0.685 5.171 122 H LEU 13 H LEU 13 7.740 -1.560 1.229 123 HA LEU 13 HA LEU 13 9.918 -3.337 1.699 124 HB2 LEU 13 2HB LEU 13 8.612 -2.048 -0.726 125 HB3 LEU 13 1HB LEU 13 10.206 -2.578 -1.045 126 HG LEU 13 HG LEU 13 8.173 -4.507 0.188 127 HD11 LEU 13 1HD1 LEU 13 8.378 -3.472 -2.650 128 HD12 LEU 13 2HD1 LEU 13 8.380 -5.236 -2.535 129 HD13 LEU 13 3HD1 LEU 13 7.048 -4.309 -1.829 130 HD21 LEU 13 1HD2 LEU 13 9.759 -6.221 -0.443 131 HD22 LEU 13 2HD2 LEU 13 10.668 -5.134 -1.526 132 HD23 LEU 13 3HD2 LEU 13 10.788 -4.947 0.231 133 HN1 NH2 14 1HN NH2 14 12.215 -0.085 0.638 134 HN2 NH2 14 2HN NH2 14 10.523 -0.252 -0.096 Start of MODEL 11 1 H1 PHE 1 1H PHE 1 -12.479 7.124 2.402 2 H2 PHE 1 2H PHE 1 -12.966 6.152 1.138 3 H3 PHE 1 3H PHE 1 -12.600 5.483 2.579 4 HA PHE 1 HA PHE 1 -10.608 6.812 0.828 5 HB2 PHE 1 2HB PHE 1 -8.903 6.051 2.407 6 HB3 PHE 1 1HB PHE 1 -10.014 7.102 3.218 7 HD1 PHE 1 HD1 PHE 1 -8.685 3.634 3.033 8 HD2 PHE 1 HD2 PHE 1 -11.655 6.128 4.921 9 HE1 PHE 1 HE1 PHE 1 -9.116 1.885 4.708 10 HE2 PHE 1 HE2 PHE 1 -12.087 4.352 6.558 11 HZ PHE 1 HZ PHE 1 -10.817 2.238 6.466 12 H VAL 2 H VAL 2 -9.085 5.350 -0.201 13 HA VAL 2 HA VAL 2 -10.348 2.698 -0.861 14 HB VAL 2 HB VAL 2 -9.779 4.274 -2.725 15 HG11 VAL 2 1HG1 VAL 2 -7.423 4.924 -1.858 16 HG12 VAL 2 2HG1 VAL 2 -6.872 3.313 -2.333 17 HG13 VAL 2 3HG1 VAL 2 -7.474 4.443 -3.574 18 HG21 VAL 2 1HG2 VAL 2 -9.044 2.459 -4.261 19 HG22 VAL 2 2HG2 VAL 2 -8.526 1.460 -2.886 20 HG23 VAL 2 3HG2 VAL 2 -10.247 1.851 -3.117 21 HA PH6 3 HA TCP 3 -7.068 0.694 1.714 22 HB2 PH6 3 1HB TCP 3 -8.461 -1.038 2.107 23 HB3 PH6 3 2HB TCP 3 -7.511 -1.930 0.940 24 HG2 PH6 3 HG TCP 3 -8.986 -1.554 -0.857 25 HD2 PH6 3 1HD TCP 3 -10.523 0.773 0.319 26 HD3 PH6 3 2HD TCP 3 -9.902 0.474 -1.307 27 H1 PH6 3 H19 TCP 3 -10.261 -2.921 0.745 28 H61 PH6 3 H20 TCP 3 -10.434 -1.366 2.733 29 H62 PH6 3 H21 TCP 3 -11.475 -0.277 1.841 30 H21 PH6 3 H17 TCP 3 -11.307 -2.377 -1.461 31 H22 PH6 3 H18 TCP 3 -12.010 -0.902 -0.815 32 H51 PH6 3 H11 TCP 3 -12.814 -1.694 3.315 33 H52 PH6 3 H12 TCP 3 -12.127 -3.167 2.620 34 H41 PH6 3 H13 TCP 3 -14.390 -2.674 1.601 35 H42 PH6 3 H14 TCP 3 -13.844 -1.073 1.101 36 H31 PH6 3 H15 TCP 3 -13.733 -2.678 -0.840 37 H32 PH6 3 H16 TCP 3 -12.694 -3.766 0.081 38 H TRP 4 H TRP 4 -5.087 0.994 1.131 39 HA TRP 4 HA TRP 4 -4.004 0.186 -1.612 40 HB2 TRP 4 1HB TRP 4 -2.911 1.986 0.629 41 HB3 TRP 4 2HB TRP 4 -1.976 1.478 -0.723 42 HD1 TRP 4 HD1 TRP 4 -3.497 1.998 -3.340 43 HE1 TRP 4 HE1 TRP 4 -4.532 4.311 -4.098 44 HE3 TRP 4 HE3 TRP 4 -3.793 4.066 1.309 45 HZ2 TRP 4 HZ2 TRP 4 -5.207 6.694 -2.708 46 HZ3 TRP 4 HZ3 TRP 4 -4.664 6.364 1.547 47 HH2 TRP 4 HH2 TRP 4 -5.376 7.660 -0.428 48 H PHE 5 H PHE 5 -3.761 -1.970 -1.443 49 HA PHE 5 HA PHE 5 -2.197 -3.271 0.735 50 HB2 PHE 5 2HB PHE 5 -3.040 -4.651 -1.874 51 HB3 PHE 5 1HB PHE 5 -2.657 -5.381 -0.348 52 HD1 PHE 5 HD1 PHE 5 -5.301 -4.368 -2.457 53 HD2 PHE 5 HD2 PHE 5 -4.271 -4.576 1.715 54 HE1 PHE 5 HE1 PHE 5 -7.683 -4.369 -1.867 55 HE2 PHE 5 HE2 PHE 5 -6.665 -4.578 2.295 56 HZ PHE 5 HZ PHE 5 -8.376 -4.501 0.504 57 H SER 6 H SER 6 -1.621 -3.488 -2.766 58 HA SER 6 HA SER 6 1.254 -4.054 -2.703 59 HB2 SER 6 2HB SER 6 0.170 -4.534 -4.748 60 HB3 SER 6 1HB SER 6 -0.688 -2.989 -4.834 61 HG SER 6 HG SER 6 1.067 -3.019 -6.286 62 H LYS 7 H LYS 7 -0.362 -0.919 -2.969 63 HA LYS 7 HA LYS 7 2.000 0.792 -3.081 64 HB2 LYS 7 2HB LYS 7 -0.917 1.136 -2.727 65 HB3 LYS 7 1HB LYS 7 -0.151 2.026 -1.452 66 HG2 LYS 7 2HG LYS 7 0.875 2.368 -4.312 67 HG3 LYS 7 1HG LYS 7 -0.644 3.077 -3.866 68 HD2 LYS 7 2HD LYS 7 1.604 3.601 -1.846 69 HD3 LYS 7 1HD LYS 7 1.933 4.178 -3.457 70 HE2 LYS 7 2HE LYS 7 -0.693 5.164 -3.196 71 HE3 LYS 7 1HE LYS 7 -0.320 5.010 -1.488 72 HZ1 LYS 7 1HZ LYS 7 0.403 7.240 -2.459 73 HZ2 LYS 7 2HZ LYS 7 1.731 6.421 -1.908 74 HZ3 LYS 7 3HZ LYS 7 1.399 6.476 -3.516 75 H PHE 8 H PHE 8 0.574 -0.690 -0.278 76 HA PHE 8 HA PHE 8 2.320 0.620 1.779 77 HB2 PHE 8 2HB PHE 8 0.063 -1.428 1.741 78 HB3 PHE 8 1HB PHE 8 1.346 -1.895 2.781 79 HD1 PHE 8 HD1 PHE 8 -0.238 1.468 1.965 80 HD2 PHE 8 HD2 PHE 8 0.923 -1.347 4.997 81 HE1 PHE 8 HE1 PHE 8 -0.986 3.036 3.712 82 HE2 PHE 8 HE2 PHE 8 0.137 0.199 6.733 83 HZ PHE 8 HZ PHE 8 -0.813 2.399 6.103 84 H LEU 9 H LEU 9 2.232 -2.680 0.418 85 HA LEU 9 HA LEU 9 4.838 -3.500 1.406 86 HB2 LEU 9 2HB LEU 9 2.799 -4.580 -0.445 87 HB3 LEU 9 1HB LEU 9 4.339 -4.739 -1.214 88 HG LEU 9 HG LEU 9 3.774 -5.766 1.631 89 HD11 LEU 9 1HD1 LEU 9 4.146 -7.985 -0.147 90 HD12 LEU 9 2HD1 LEU 9 2.625 -7.431 0.569 91 HD13 LEU 9 3HD1 LEU 9 3.093 -6.896 -1.054 92 HD21 LEU 9 1HD2 LEU 9 5.930 -7.125 1.180 93 HD22 LEU 9 2HD2 LEU 9 6.219 -6.095 -0.241 94 HD23 LEU 9 3HD2 LEU 9 6.194 -5.391 1.389 95 H GLY 10 H GLY 10 4.108 -1.799 -1.626 96 HA2 GLY 10 1HA GLY 10 6.811 -1.645 -2.764 97 HA3 GLY 10 2HA GLY 10 5.549 -0.467 -3.039 98 H ARG 11 H ARG 11 5.293 0.550 -0.447 99 HA ARG 11 HA ARG 11 7.695 2.373 -0.173 100 HB2 ARG 11 2HB ARG 11 5.005 2.063 1.308 101 HB3 ARG 11 1HB ARG 11 6.278 2.951 2.051 102 HG2 ARG 11 2HG ARG 11 5.917 3.843 -0.805 103 HG3 ARG 11 1HG ARG 11 4.411 3.912 0.107 104 HD2 ARG 11 2HD ARG 11 5.742 5.129 2.005 105 HD3 ARG 11 1HD ARG 11 7.134 5.187 0.903 106 HE ARG 11 HE ARG 11 4.994 6.332 -0.612 107 HH11 ARG 11 1HH1 ARG 11 6.238 8.852 2.244 108 HH12 ARG 11 2HH1 ARG 11 6.625 7.072 2.348 109 HH21 ARG 11 1HH2 ARG 11 5.107 9.525 0.577 110 HH22 ARG 11 2HH2 ARG 11 4.566 8.373 -0.727 111 H ILE 12 H ILE 12 6.256 -0.141 1.927 112 HA ILE 12 HA ILE 12 8.440 -0.069 3.934 113 HB ILE 12 HB ILE 12 6.515 -2.377 3.380 114 HG12 ILE 12 2HG1 ILE 12 6.020 -0.017 5.300 115 HG13 ILE 12 1HG1 ILE 12 5.178 -0.312 3.806 116 HG21 ILE 12 1HG2 ILE 12 7.632 -3.465 5.055 117 HG22 ILE 12 2HG2 ILE 12 8.696 -2.091 5.365 118 HG23 ILE 12 3HG2 ILE 12 7.173 -2.218 6.231 119 HD11 ILE 12 1HD1 ILE 12 4.706 -1.619 6.433 120 HD12 ILE 12 2HD1 ILE 12 3.592 -1.397 5.059 121 HD13 ILE 12 3HD1 ILE 12 4.717 -2.774 5.083 122 H LEU 13 H LEU 13 8.041 -1.936 0.953 123 HA LEU 13 HA LEU 13 10.192 -3.815 1.053 124 HB2 LEU 13 2HB LEU 13 8.747 -2.229 -1.105 125 HB3 LEU 13 1HB LEU 13 10.292 -2.758 -1.596 126 HG LEU 13 HG LEU 13 8.222 -4.741 -0.480 127 HD11 LEU 13 1HD1 LEU 13 7.160 -3.938 -2.442 128 HD12 LEU 13 2HD1 LEU 13 8.678 -3.656 -3.324 129 HD13 LEU 13 3HD1 LEU 13 8.069 -5.309 -3.079 130 HD21 LEU 13 1HD2 LEU 13 10.998 -4.997 -1.801 131 HD22 LEU 13 2HD2 LEU 13 10.382 -5.769 -0.326 132 HD23 LEU 13 3HD2 LEU 13 9.821 -6.325 -1.912 133 HN1 NH2 14 1HN NH2 14 12.418 -0.435 0.478 134 HN2 NH2 14 2HN NH2 14 10.617 -0.375 0.110 Start of MODEL 12 1 H1 PHE 1 1H PHE 1 -11.115 7.310 3.101 2 H2 PHE 1 2H PHE 1 -11.781 6.606 1.743 3 H3 PHE 1 3H PHE 1 -11.451 5.688 3.045 4 HA PHE 1 HA PHE 1 -9.379 6.998 1.375 5 HB2 PHE 1 2HB PHE 1 -7.715 5.946 2.746 6 HB3 PHE 1 1HB PHE 1 -8.738 6.826 3.825 7 HD1 PHE 1 HD1 PHE 1 -10.622 5.404 5.110 8 HD2 PHE 1 HD2 PHE 1 -7.264 3.587 3.103 9 HE1 PHE 1 HE1 PHE 1 -11.022 3.308 6.311 10 HE2 PHE 1 HE2 PHE 1 -7.657 1.514 4.363 11 HZ PHE 1 HZ PHE 1 -9.537 1.368 5.962 12 H VAL 2 H VAL 2 -7.887 5.290 0.405 13 HA VAL 2 HA VAL 2 -9.589 3.103 -0.794 14 HB VAL 2 HB VAL 2 -8.566 4.783 -2.351 15 HG11 VAL 2 1HG1 VAL 2 -5.944 3.217 -1.954 16 HG12 VAL 2 2HG1 VAL 2 -6.213 4.633 -3.002 17 HG13 VAL 2 3HG1 VAL 2 -6.199 4.805 -1.229 18 HG21 VAL 2 1HG2 VAL 2 -8.062 3.100 -4.101 19 HG22 VAL 2 2HG2 VAL 2 -7.833 1.831 -2.875 20 HG23 VAL 2 3HG2 VAL 2 -9.436 2.563 -3.126 21 HA PH6 3 HA TCP 3 -6.940 0.146 1.630 22 HB2 PH6 3 1HB TCP 3 -8.708 -1.263 1.709 23 HB3 PH6 3 2HB TCP 3 -7.859 -2.188 0.495 24 HG2 PH6 3 HG TCP 3 -9.039 -1.295 -1.334 25 HD2 PH6 3 1HD TCP 3 -10.224 1.110 0.074 26 HD3 PH6 3 2HD TCP 3 -9.524 0.918 -1.539 27 H1 PH6 3 H19 TCP 3 -12.722 -2.720 1.648 28 H61 PH6 3 H20 TCP 3 -14.756 -1.648 0.589 29 H62 PH6 3 H21 TCP 3 -13.876 -0.134 0.375 30 H21 PH6 3 H17 TCP 3 -11.476 0.064 1.366 31 H22 PH6 3 H18 TCP 3 -13.180 -1.253 2.523 32 H51 PH6 3 H11 TCP 3 -13.901 -1.442 -1.781 33 H52 PH6 3 H12 TCP 3 -13.168 -2.833 -0.980 34 H41 PH6 3 H13 TCP 3 -11.415 -1.546 -2.206 35 H42 PH6 3 H14 TCP 3 -11.885 -0.065 -1.384 36 H31 PH6 3 H15 TCP 3 -10.685 -2.589 -0.052 37 H32 PH6 3 H16 TCP 3 -10.744 -1.326 2.139 38 H TRP 4 H TRP 4 -5.092 0.979 0.705 39 HA TRP 4 HA TRP 4 -3.951 -0.117 -1.824 40 HB2 TRP 4 1HB TRP 4 -2.899 1.675 0.434 41 HB3 TRP 4 2HB TRP 4 -1.786 0.975 -0.673 42 HD1 TRP 4 HD1 TRP 4 -3.517 1.299 -3.513 43 HE1 TRP 4 HE1 TRP 4 -3.810 3.678 -4.626 44 HE3 TRP 4 HE3 TRP 4 -2.632 4.035 0.705 45 HZ2 TRP 4 HZ2 TRP 4 -3.556 6.316 -3.655 46 HZ3 TRP 4 HZ3 TRP 4 -2.702 6.502 0.556 47 HH2 TRP 4 HH2 TRP 4 -3.174 7.629 -1.587 48 H PHE 5 H PHE 5 -3.917 -2.263 -1.721 49 HA PHE 5 HA PHE 5 -2.584 -3.811 0.394 50 HB2 PHE 5 2HB PHE 5 -3.182 -4.915 -2.408 51 HB3 PHE 5 1HB PHE 5 -3.063 -5.783 -0.912 52 HD1 PHE 5 HD1 PHE 5 -4.884 -4.774 0.995 53 HD2 PHE 5 HD2 PHE 5 -5.346 -4.656 -3.281 54 HE1 PHE 5 HE1 PHE 5 -7.325 -4.610 1.252 55 HE2 PHE 5 HE2 PHE 5 -7.780 -4.474 -3.009 56 HZ PHE 5 HZ PHE 5 -8.779 -4.461 -0.747 57 H SER 6 H SER 6 -1.676 -3.715 -3.023 58 HA SER 6 HA SER 6 1.172 -4.369 -2.576 59 HB2 SER 6 2HB SER 6 -0.080 -3.152 -5.127 60 HB3 SER 6 1HB SER 6 1.434 -4.058 -4.990 61 HG SER 6 HG SER 6 -0.204 -5.433 -5.714 62 H LYS 7 H LYS 7 -0.489 -1.312 -3.164 63 HA LYS 7 HA LYS 7 1.833 0.492 -3.409 64 HB2 LYS 7 2HB LYS 7 -1.105 0.808 -3.073 65 HB3 LYS 7 1HB LYS 7 -0.314 1.827 -1.918 66 HG2 LYS 7 2HG LYS 7 -0.514 3.276 -3.652 67 HG3 LYS 7 1HG LYS 7 1.162 2.794 -3.726 68 HD2 LYS 7 2HD LYS 7 -0.310 0.859 -5.397 69 HD3 LYS 7 1HD LYS 7 -1.122 2.384 -5.637 70 HE2 LYS 7 2HE LYS 7 1.590 3.203 -5.902 71 HE3 LYS 7 1HE LYS 7 1.755 1.500 -6.316 72 HZ1 LYS 7 1HZ LYS 7 1.180 2.897 -8.333 73 HZ2 LYS 7 2HZ LYS 7 -0.058 1.848 -8.057 74 HZ3 LYS 7 3HZ LYS 7 -0.203 3.420 -7.623 75 H PHE 8 H PHE 8 0.276 -0.803 -0.540 76 HA PHE 8 HA PHE 8 1.835 0.780 1.432 77 HB2 PHE 8 2HB PHE 8 -0.456 -0.745 1.670 78 HB3 PHE 8 1HB PHE 8 0.656 -1.979 2.125 79 HD1 PHE 8 HD1 PHE 8 2.498 -1.185 3.963 80 HD2 PHE 8 HD2 PHE 8 -1.271 0.740 3.274 81 HE1 PHE 8 HE1 PHE 8 2.642 -0.111 6.181 82 HE2 PHE 8 HE2 PHE 8 -1.139 1.791 5.501 83 HZ PHE 8 HZ PHE 8 0.834 1.384 6.950 84 H LEU 9 H LEU 9 2.042 -2.669 0.439 85 HA LEU 9 HA LEU 9 4.637 -3.263 1.569 86 HB2 LEU 9 2HB LEU 9 2.772 -4.535 -0.389 87 HB3 LEU 9 1HB LEU 9 4.348 -4.643 -1.005 88 HG LEU 9 HG LEU 9 4.694 -5.441 1.772 89 HD11 LEU 9 1HD1 LEU 9 2.955 -7.395 1.770 90 HD12 LEU 9 2HD1 LEU 9 2.385 -5.777 2.210 91 HD13 LEU 9 3HD1 LEU 9 2.033 -6.436 0.595 92 HD21 LEU 9 1HD2 LEU 9 4.820 -6.829 -0.943 93 HD22 LEU 9 2HD2 LEU 9 6.079 -6.528 0.272 94 HD23 LEU 9 3HD2 LEU 9 4.883 -7.804 0.537 95 H GLY 10 H GLY 10 3.978 -1.767 -1.570 96 HA2 GLY 10 1HA GLY 10 6.713 -1.588 -2.636 97 HA3 GLY 10 2HA GLY 10 5.430 -0.454 -3.000 98 H ARG 11 H ARG 11 5.032 0.703 -0.523 99 HA ARG 11 HA ARG 11 7.385 2.567 -0.196 100 HB2 ARG 11 2HB ARG 11 4.590 2.314 1.076 101 HB3 ARG 11 1HB ARG 11 5.786 3.244 1.913 102 HG2 ARG 11 2HG ARG 11 5.458 3.860 -1.059 103 HG3 ARG 11 1HG ARG 11 4.148 4.346 -0.020 104 HD2 ARG 11 2HD ARG 11 7.107 5.038 0.623 105 HD3 ARG 11 1HD ARG 11 6.142 6.053 -0.461 106 HE ARG 11 HE ARG 11 4.490 5.766 1.881 107 HH11 ARG 11 1HH1 ARG 11 7.578 8.142 2.731 108 HH12 ARG 11 2HH1 ARG 11 7.693 6.949 1.350 109 HH21 ARG 11 1HH2 ARG 11 5.760 8.226 3.833 110 HH22 ARG 11 2HH2 ARG 11 4.361 7.134 3.424 111 H ILE 12 H ILE 12 5.899 0.100 1.908 112 HA ILE 12 HA ILE 12 7.947 0.307 4.048 113 HB ILE 12 HB ILE 12 6.137 -2.081 3.409 114 HG12 ILE 12 2HG1 ILE 12 4.669 -0.144 3.723 115 HG13 ILE 12 1HG1 ILE 12 4.495 -1.291 5.020 116 HG21 ILE 12 1HG2 ILE 12 7.532 -1.313 6.058 117 HG22 ILE 12 2HG2 ILE 12 6.361 -2.645 5.881 118 HG23 ILE 12 3HG2 ILE 12 7.920 -2.710 5.042 119 HD11 ILE 12 1HD1 ILE 12 4.518 1.245 5.668 120 HD12 ILE 12 2HD1 ILE 12 5.623 0.211 6.609 121 HD13 ILE 12 3HD1 ILE 12 6.257 1.252 5.309 122 H LEU 13 H LEU 13 7.825 -1.669 1.124 123 HA LEU 13 HA LEU 13 10.072 -3.406 1.509 124 HB2 LEU 13 2HB LEU 13 8.665 -2.116 -0.875 125 HB3 LEU 13 1HB LEU 13 10.253 -2.662 -1.225 126 HG LEU 13 HG LEU 13 8.160 -4.535 0.020 127 HD11 LEU 13 1HD1 LEU 13 8.016 -5.436 -2.408 128 HD12 LEU 13 2HD1 LEU 13 7.305 -3.829 -2.177 129 HD13 LEU 13 3HD1 LEU 13 8.904 -3.990 -2.940 130 HD21 LEU 13 1HD2 LEU 13 9.729 -6.320 -0.582 131 HD22 LEU 13 2HD2 LEU 13 10.749 -5.220 -1.548 132 HD23 LEU 13 3HD2 LEU 13 10.728 -5.097 0.217 133 HN1 NH2 14 1HN NH2 14 12.118 0.025 0.577 134 HN2 NH2 14 2HN NH2 14 10.361 -0.127 0.035 Start of MODEL 13 1 H1 PHE 1 1H PHE 1 -12.342 7.236 1.737 2 H2 PHE 1 2H PHE 1 -13.001 5.964 0.889 3 H3 PHE 1 3H PHE 1 -12.268 5.684 2.318 4 HA PHE 1 HA PHE 1 -10.854 6.622 -0.118 5 HB2 PHE 1 2HB PHE 1 -8.799 6.470 1.104 6 HB3 PHE 1 1HB PHE 1 -9.846 7.474 2.045 7 HD1 PHE 1 HD1 PHE 1 -10.750 6.589 4.283 8 HD2 PHE 1 HD2 PHE 1 -8.042 4.245 1.899 9 HE1 PHE 1 HE1 PHE 1 -10.410 5.040 6.164 10 HE2 PHE 1 HE2 PHE 1 -7.742 2.690 3.775 11 HZ PHE 1 HZ PHE 1 -8.913 3.091 5.915 12 H VAL 2 H VAL 2 -9.411 4.996 -1.087 13 HA VAL 2 HA VAL 2 -10.617 2.263 -0.972 14 HB VAL 2 HB VAL 2 -10.126 3.387 -3.162 15 HG11 VAL 2 1HG1 VAL 2 -7.719 4.194 -2.570 16 HG12 VAL 2 2HG1 VAL 2 -7.211 2.506 -2.688 17 HG13 VAL 2 3HG1 VAL 2 -7.862 3.331 -4.123 18 HG21 VAL 2 1HG2 VAL 2 -9.432 1.268 -4.292 19 HG22 VAL 2 2HG2 VAL 2 -8.884 0.590 -2.745 20 HG23 VAL 2 3HG2 VAL 2 -10.609 0.942 -3.011 21 HA PH6 3 HA TCP 3 -7.192 0.806 1.821 22 HB2 PH6 3 1HB TCP 3 -8.621 -0.727 2.665 23 HB3 PH6 3 2HB TCP 3 -7.736 -1.897 1.716 24 HG2 PH6 3 HG TCP 3 -9.253 -1.907 -0.088 25 HD2 PH6 3 1HD TCP 3 -10.737 0.641 0.610 26 HD3 PH6 3 2HD TCP 3 -10.197 -0.018 -0.939 27 H1 PH6 3 H19 TCP 3 -12.243 -2.691 3.776 28 H61 PH6 3 H20 TCP 3 -14.549 -2.397 2.774 29 H62 PH6 3 H21 TCP 3 -14.019 -0.950 1.915 30 H21 PH6 3 H17 TCP 3 -11.619 -0.046 2.363 31 H22 PH6 3 H18 TCP 3 -12.894 -1.093 4.166 32 H51 PH6 3 H11 TCP 3 -14.004 -2.940 0.366 33 H52 PH6 3 H12 TCP 3 -12.927 -3.817 1.455 34 H41 PH6 3 H13 TCP 3 -11.605 -2.814 -0.410 35 H42 PH6 3 H14 TCP 3 -12.275 -1.225 -0.071 36 H31 PH6 3 H15 TCP 3 -10.463 -2.881 1.814 37 H32 PH6 3 H16 TCP 3 -10.547 -0.931 3.426 38 H TRP 4 H TRP 4 -5.692 1.539 0.294 39 HA TRP 4 HA TRP 4 -4.625 -0.233 -1.814 40 HB2 TRP 4 1HB TRP 4 -3.641 2.388 -0.566 41 HB3 TRP 4 2HB TRP 4 -2.652 1.437 -1.638 42 HD1 TRP 4 HD1 TRP 4 -4.576 0.520 -3.985 43 HE1 TRP 4 HE1 TRP 4 -5.470 2.250 -5.769 44 HE3 TRP 4 HE3 TRP 4 -3.906 4.707 -1.131 45 HZ2 TRP 4 HZ2 TRP 4 -5.714 5.072 -5.786 46 HZ3 TRP 4 HZ3 TRP 4 -4.481 6.911 -2.099 47 HH2 TRP 4 HH2 TRP 4 -5.396 7.092 -4.381 48 H PHE 5 H PHE 5 -4.087 -2.125 -1.046 49 HA PHE 5 HA PHE 5 -2.211 -2.613 1.171 50 HB2 PHE 5 2HB PHE 5 -2.905 -4.707 -0.957 51 HB3 PHE 5 1HB PHE 5 -2.422 -4.964 0.693 52 HD1 PHE 5 HD1 PHE 5 -5.177 -5.041 -1.448 53 HD2 PHE 5 HD2 PHE 5 -4.145 -3.689 2.504 54 HE1 PHE 5 HE1 PHE 5 -7.539 -5.148 -0.790 55 HE2 PHE 5 HE2 PHE 5 -6.516 -3.810 3.152 56 HZ PHE 5 HZ PHE 5 -8.217 -4.549 1.510 57 H SER 6 H SER 6 -1.809 -3.087 -2.324 58 HA SER 6 HA SER 6 1.062 -3.648 -2.466 59 HB2 SER 6 2HB SER 6 -1.015 -2.474 -4.414 60 HB3 SER 6 1HB SER 6 0.679 -2.337 -4.830 61 HG SER 6 HG SER 6 -0.256 -4.854 -3.953 62 H LYS 7 H LYS 7 -0.521 -0.507 -2.215 63 HA LYS 7 HA LYS 7 1.856 1.254 -2.478 64 HB2 LYS 7 2HB LYS 7 -0.731 1.549 -0.835 65 HB3 LYS 7 1HB LYS 7 0.444 2.811 -0.890 66 HG2 LYS 7 2HG LYS 7 -0.773 1.732 -3.514 67 HG3 LYS 7 1HG LYS 7 -1.559 2.987 -2.582 68 HD2 LYS 7 2HD LYS 7 -0.031 4.626 -2.914 69 HD3 LYS 7 1HD LYS 7 1.351 3.591 -3.112 70 HE2 LYS 7 2HE LYS 7 -0.893 3.398 -5.253 71 HE3 LYS 7 1HE LYS 7 0.031 4.888 -5.211 72 HZ1 LYS 7 1HZ LYS 7 1.183 3.161 -6.650 73 HZ2 LYS 7 2HZ LYS 7 2.143 3.553 -5.381 74 HZ3 LYS 7 3HZ LYS 7 1.325 2.139 -5.369 75 H PHE 8 H PHE 8 0.624 -0.555 0.284 76 HA PHE 8 HA PHE 8 2.558 0.522 2.267 77 HB2 PHE 8 2HB PHE 8 0.184 -0.874 2.572 78 HB3 PHE 8 1HB PHE 8 1.241 -2.244 2.551 79 HD1 PHE 8 HD1 PHE 8 3.478 -1.965 4.131 80 HD2 PHE 8 HD2 PHE 8 -0.218 0.155 4.650 81 HE1 PHE 8 HE1 PHE 8 4.089 -1.457 6.469 82 HE2 PHE 8 HE2 PHE 8 0.397 0.634 6.990 83 HZ PHE 8 HZ PHE 8 2.575 -0.144 7.885 84 H LEU 9 H LEU 9 2.351 -2.654 0.598 85 HA LEU 9 HA LEU 9 5.026 -3.582 1.207 86 HB2 LEU 9 2HB LEU 9 2.829 -4.396 -0.648 87 HB3 LEU 9 1HB LEU 9 4.296 -4.470 -1.504 88 HG LEU 9 HG LEU 9 4.858 -5.713 1.108 89 HD11 LEU 9 1HD1 LEU 9 2.198 -5.923 0.990 90 HD12 LEU 9 2HD1 LEU 9 2.529 -7.174 -0.231 91 HD13 LEU 9 3HD1 LEU 9 3.186 -7.328 1.416 92 HD21 LEU 9 1HD2 LEU 9 6.075 -6.239 -0.987 93 HD22 LEU 9 2HD2 LEU 9 5.343 -7.711 -0.320 94 HD23 LEU 9 3HD2 LEU 9 4.602 -6.907 -1.724 95 H GLY 10 H GLY 10 4.077 -1.499 -1.469 96 HA2 GLY 10 1HA GLY 10 6.645 -1.263 -2.880 97 HA3 GLY 10 2HA GLY 10 5.420 -0.014 -2.833 98 H ARG 11 H ARG 11 5.466 0.625 -0.126 99 HA ARG 11 HA ARG 11 7.953 2.323 0.144 100 HB2 ARG 11 2HB ARG 11 5.523 1.841 1.992 101 HB3 ARG 11 1HB ARG 11 6.851 2.858 2.452 102 HG2 ARG 11 2HG ARG 11 5.638 3.496 -0.270 103 HG3 ARG 11 1HG ARG 11 4.567 3.731 1.067 104 HD2 ARG 11 2HD ARG 11 7.419 4.839 1.414 105 HD3 ARG 11 1HD ARG 11 6.484 5.579 0.115 106 HE ARG 11 HE ARG 11 4.682 5.539 2.375 107 HH11 ARG 11 1HH1 ARG 11 7.483 8.335 2.877 108 HH12 ARG 11 2HH1 ARG 11 7.792 6.911 1.774 109 HH21 ARG 11 1HH2 ARG 11 5.586 8.450 3.849 110 HH22 ARG 11 2HH2 ARG 11 4.324 7.161 3.596 111 H ILE 12 H ILE 12 6.615 -0.436 1.974 112 HA ILE 12 HA ILE 12 8.957 -0.744 3.765 113 HB ILE 12 HB ILE 12 6.877 -2.866 3.008 114 HG12 ILE 12 2HG1 ILE 12 5.649 -0.945 3.876 115 HG13 ILE 12 1HG1 ILE 12 5.572 -2.312 4.952 116 HG21 ILE 12 1HG2 ILE 12 9.007 -2.775 5.197 117 HG22 ILE 12 2HG2 ILE 12 7.487 -3.620 5.551 118 HG23 ILE 12 3HG2 ILE 12 8.492 -4.130 4.179 119 HD11 ILE 12 1HD1 ILE 12 5.885 0.024 6.070 120 HD12 ILE 12 2HD1 ILE 12 7.064 -1.209 6.585 121 HD13 ILE 12 3HD1 ILE 12 7.536 0.053 5.418 122 H LEU 13 H LEU 13 8.271 -2.130 0.603 123 HA LEU 13 HA LEU 13 10.413 -4.029 0.285 124 HB2 LEU 13 2HB LEU 13 8.798 -2.170 -1.527 125 HB3 LEU 13 1HB LEU 13 10.247 -2.752 -2.228 126 HG LEU 13 HG LEU 13 8.239 -4.737 -1.020 127 HD11 LEU 13 1HD1 LEU 13 6.785 -4.086 -2.677 128 HD12 LEU 13 2HD1 LEU 13 7.985 -3.110 -3.542 129 HD13 LEU 13 3HD1 LEU 13 7.881 -4.851 -3.835 130 HD21 LEU 13 1HD2 LEU 13 9.429 -6.302 -2.649 131 HD22 LEU 13 2HD2 LEU 13 10.534 -4.977 -3.092 132 HD23 LEU 13 3HD2 LEU 13 10.537 -5.628 -1.438 133 HN1 NH2 14 1HN NH2 14 12.538 -0.554 -0.182 134 HN2 NH2 14 2HN NH2 14 10.714 -0.502 -0.418 Start of MODEL 14 1 H1 PHE 1 1H PHE 1 -12.358 7.360 1.798 2 H2 PHE 1 2H PHE 1 -12.787 6.342 0.547 3 H3 PHE 1 3H PHE 1 -12.653 5.755 2.066 4 HA PHE 1 HA PHE 1 -10.351 6.769 0.498 5 HB2 PHE 1 2HB PHE 1 -8.928 5.929 2.313 6 HB3 PHE 1 1HB PHE 1 -9.968 7.190 2.885 7 HD1 PHE 1 HD1 PHE 1 -9.037 3.631 3.261 8 HD2 PHE 1 HD2 PHE 1 -11.981 6.578 4.380 9 HE1 PHE 1 HE1 PHE 1 -9.887 2.142 5.026 10 HE2 PHE 1 HE2 PHE 1 -12.840 5.052 6.096 11 HZ PHE 1 HZ PHE 1 -11.792 2.843 6.435 12 H VAL 2 H VAL 2 -9.135 5.203 -0.596 13 HA VAL 2 HA VAL 2 -10.524 2.589 -1.028 14 HB VAL 2 HB VAL 2 -9.734 3.978 -2.961 15 HG11 VAL 2 1HG1 VAL 2 -7.357 4.484 -1.971 16 HG12 VAL 2 2HG1 VAL 2 -6.955 2.813 -2.371 17 HG13 VAL 2 3HG1 VAL 2 -7.403 3.946 -3.671 18 HG21 VAL 2 1HG2 VAL 2 -10.358 1.581 -3.256 19 HG22 VAL 2 2HG2 VAL 2 -9.018 2.009 -4.330 20 HG23 VAL 2 3HG2 VAL 2 -8.699 1.070 -2.858 21 HA PH6 3 HA TCP 3 -7.504 0.492 1.827 22 HB2 PH6 3 1HB TCP 3 -9.112 -1.031 2.272 23 HB3 PH6 3 2HB TCP 3 -8.187 -2.115 1.266 24 HG2 PH6 3 HG TCP 3 -9.487 -1.758 -0.678 25 HD2 PH6 3 1HD TCP 3 -10.902 0.758 0.242 26 HD3 PH6 3 2HD TCP 3 -10.223 0.299 -1.323 27 H1 PH6 3 H19 TCP 3 -12.941 -2.881 2.684 28 H61 PH6 3 H20 TCP 3 -15.098 -2.280 1.505 29 H62 PH6 3 H21 TCP 3 -14.396 -0.764 0.939 30 H21 PH6 3 H17 TCP 3 -12.015 -0.109 1.768 31 H22 PH6 3 H18 TCP 3 -13.542 -1.316 3.245 32 H51 PH6 3 H11 TCP 3 -14.312 -2.502 -0.888 33 H52 PH6 3 H12 TCP 3 -13.416 -3.603 0.160 34 H41 PH6 3 H13 TCP 3 -11.838 -2.435 -1.381 35 H42 PH6 3 H14 TCP 3 -12.453 -0.869 -0.873 36 H31 PH6 3 H15 TCP 3 -10.962 -2.909 0.914 37 H32 PH6 3 H16 TCP 3 -11.121 -1.216 2.788 38 H TRP 4 H TRP 4 -5.822 1.351 0.591 39 HA TRP 4 HA TRP 4 -4.614 -0.159 -1.645 40 HB2 TRP 4 1HB TRP 4 -3.686 2.193 0.094 41 HB3 TRP 4 2HB TRP 4 -2.573 1.411 -0.973 42 HD1 TRP 4 HD1 TRP 4 -4.339 0.909 -3.652 43 HE1 TRP 4 HE1 TRP 4 -4.957 2.929 -5.234 44 HE3 TRP 4 HE3 TRP 4 -3.757 4.571 -0.141 45 HZ2 TRP 4 HZ2 TRP 4 -5.000 5.750 -4.847 46 HZ3 TRP 4 HZ3 TRP 4 -4.061 6.930 -0.817 47 HH2 TRP 4 HH2 TRP 4 -4.690 7.515 -3.129 48 H PHE 5 H PHE 5 -3.611 -1.908 -1.551 49 HA PHE 5 HA PHE 5 -2.192 -2.923 0.950 50 HB2 PHE 5 2HB PHE 5 -2.897 -4.662 -1.476 51 HB3 PHE 5 1HB PHE 5 -2.545 -5.148 0.151 52 HD1 PHE 5 HD1 PHE 5 -5.146 -4.554 -2.181 53 HD2 PHE 5 HD2 PHE 5 -4.295 -4.187 2.020 54 HE1 PHE 5 HE1 PHE 5 -7.550 -4.608 -1.686 55 HE2 PHE 5 HE2 PHE 5 -6.708 -4.245 2.503 56 HZ PHE 5 HZ PHE 5 -8.339 -4.486 0.652 57 H SER 6 H SER 6 -1.658 -3.290 -2.555 58 HA SER 6 HA SER 6 1.185 -3.837 -2.494 59 HB2 SER 6 2HB SER 6 -0.829 -3.365 -4.583 60 HB3 SER 6 1HB SER 6 0.494 -2.275 -4.922 61 HG SER 6 HG SER 6 0.445 -4.865 -5.341 62 H LYS 7 H LYS 7 -0.374 -0.700 -2.568 63 HA LYS 7 HA LYS 7 1.992 1.044 -2.781 64 HB2 LYS 7 2HB LYS 7 -0.505 1.673 -1.109 65 HB3 LYS 7 1HB LYS 7 0.628 2.798 -1.776 66 HG2 LYS 7 2HG LYS 7 -0.300 1.464 -4.138 67 HG3 LYS 7 1HG LYS 7 -1.675 1.352 -3.092 68 HD2 LYS 7 2HD LYS 7 -2.015 3.355 -4.243 69 HD3 LYS 7 1HD LYS 7 -1.487 3.923 -2.677 70 HE2 LYS 7 2HE LYS 7 0.481 4.878 -3.484 71 HE3 LYS 7 1HE LYS 7 0.876 3.500 -4.504 72 HZ1 LYS 7 1HZ LYS 7 0.236 5.429 -5.952 73 HZ2 LYS 7 2HZ LYS 7 -0.890 4.246 -6.118 74 HZ3 LYS 7 3HZ LYS 7 -1.236 5.559 -5.212 75 H PHE 8 H PHE 8 0.612 -0.555 0.017 76 HA PHE 8 HA PHE 8 2.409 0.673 2.068 77 HB2 PHE 8 2HB PHE 8 0.200 -1.436 2.038 78 HB3 PHE 8 1HB PHE 8 1.517 -1.885 3.051 79 HD1 PHE 8 HD1 PHE 8 2.482 -0.125 4.729 80 HD2 PHE 8 HD2 PHE 8 -1.396 0.155 2.904 81 HE1 PHE 8 HE1 PHE 8 1.741 1.370 6.537 82 HE2 PHE 8 HE2 PHE 8 -2.142 1.640 4.719 83 HZ PHE 8 HZ PHE 8 -0.575 2.255 6.544 84 H LEU 9 H LEU 9 2.280 -2.559 0.538 85 HA LEU 9 HA LEU 9 4.912 -3.384 1.447 86 HB2 LEU 9 2HB LEU 9 2.875 -4.470 -0.438 87 HB3 LEU 9 1HB LEU 9 4.440 -4.650 -1.138 88 HG LEU 9 HG LEU 9 3.830 -6.639 0.071 89 HD11 LEU 9 1HD1 LEU 9 6.199 -5.158 1.393 90 HD12 LEU 9 2HD1 LEU 9 5.852 -6.869 1.674 91 HD13 LEU 9 3HD1 LEU 9 6.231 -6.305 0.044 92 HD21 LEU 9 1HD2 LEU 9 2.455 -5.201 1.917 93 HD22 LEU 9 2HD2 LEU 9 3.110 -6.809 2.286 94 HD23 LEU 9 3HD2 LEU 9 3.967 -5.350 2.836 95 H GLY 10 H GLY 10 4.102 -1.676 -1.551 96 HA2 GLY 10 1HA GLY 10 6.718 -1.494 -2.809 97 HA3 GLY 10 2HA GLY 10 5.483 -0.258 -2.930 98 H ARG 11 H ARG 11 5.442 0.586 -0.259 99 HA ARG 11 HA ARG 11 7.906 2.323 -0.035 100 HB2 ARG 11 2HB ARG 11 5.284 1.988 1.555 101 HB3 ARG 11 1HB ARG 11 6.613 2.761 2.346 102 HG2 ARG 11 2HG ARG 11 5.923 3.752 -0.466 103 HG3 ARG 11 1HG ARG 11 4.831 4.143 0.839 104 HD2 ARG 11 2HD ARG 11 7.898 4.641 1.080 105 HD3 ARG 11 1HD ARG 11 6.896 5.822 0.287 106 HE ARG 11 HE ARG 11 7.062 5.355 3.227 107 HH11 ARG 11 1HH1 ARG 11 3.799 7.308 1.995 108 HH12 ARG 11 2HH1 ARG 11 4.851 6.355 0.824 109 HH21 ARG 11 1HH2 ARG 11 4.418 7.326 4.048 110 HH22 ARG 11 2HH2 ARG 11 5.913 6.429 4.578 111 H ILE 12 H ILE 12 6.583 -0.328 1.943 112 HA ILE 12 HA ILE 12 8.899 -0.437 3.800 113 HB ILE 12 HB ILE 12 6.930 -2.692 3.175 114 HG12 ILE 12 2HG1 ILE 12 6.576 -0.512 5.324 115 HG13 ILE 12 1HG1 ILE 12 5.631 -0.669 3.873 116 HG21 ILE 12 1HG2 ILE 12 7.789 -2.752 5.984 117 HG22 ILE 12 2HG2 ILE 12 8.143 -3.913 4.690 118 HG23 ILE 12 3HG2 ILE 12 9.245 -2.572 5.018 119 HD11 ILE 12 1HD1 ILE 12 5.199 -2.060 6.403 120 HD12 ILE 12 2HD1 ILE 12 4.130 -1.984 4.978 121 HD13 ILE 12 3HD1 ILE 12 5.356 -3.260 5.106 122 H LEU 13 H LEU 13 8.281 -1.994 0.686 123 HA LEU 13 HA LEU 13 10.668 -3.758 0.676 124 HB2 LEU 13 2HB LEU 13 8.718 -2.696 -1.464 125 HB3 LEU 13 1HB LEU 13 10.087 -3.651 -1.933 126 HG LEU 13 HG LEU 13 8.032 -4.671 0.092 127 HD11 LEU 13 1HD1 LEU 13 7.249 -6.100 -1.995 128 HD12 LEU 13 2HD1 LEU 13 6.747 -4.405 -1.922 129 HD13 LEU 13 3HD1 LEU 13 8.085 -4.885 -2.984 130 HD21 LEU 13 1HD2 LEU 13 10.610 -5.715 -0.475 131 HD22 LEU 13 2HD2 LEU 13 9.258 -6.596 0.247 132 HD23 LEU 13 3HD2 LEU 13 9.566 -6.701 -1.500 133 HN1 NH2 14 1HN NH2 14 12.891 -0.877 0.262 134 HN2 NH2 14 2HN NH2 14 11.964 -1.799 1.551 Start of MODEL 15 1 H1 PHE 1 1H PHE 1 -11.438 7.739 1.619 2 H2 PHE 1 2H PHE 1 -11.925 6.967 0.223 3 H3 PHE 1 3H PHE 1 -11.945 6.167 1.643 4 HA PHE 1 HA PHE 1 -9.460 7.067 0.296 5 HB2 PHE 1 2HB PHE 1 -8.250 5.759 2.031 6 HB3 PHE 1 1HB PHE 1 -9.079 7.122 2.705 7 HD1 PHE 1 HD1 PHE 1 -11.109 6.772 4.169 8 HD2 PHE 1 HD2 PHE 1 -8.938 3.388 2.606 9 HE1 PHE 1 HE1 PHE 1 -12.314 5.279 5.697 10 HE2 PHE 1 HE2 PHE 1 -10.134 1.919 4.179 11 HZ PHE 1 HZ PHE 1 -11.825 2.859 5.716 12 H VAL 2 H VAL 2 -8.190 5.373 -0.661 13 HA VAL 2 HA VAL 2 -9.886 3.096 -1.654 14 HB VAL 2 HB VAL 2 -8.737 4.602 -3.288 15 HG11 VAL 2 1HG1 VAL 2 -6.418 4.631 -2.042 16 HG12 VAL 2 2HG1 VAL 2 -6.188 2.998 -2.682 17 HG13 VAL 2 3HG1 VAL 2 -6.376 4.367 -3.803 18 HG21 VAL 2 1HG2 VAL 2 -9.630 2.352 -3.939 19 HG22 VAL 2 2HG2 VAL 2 -8.189 2.776 -4.872 20 HG23 VAL 2 3HG2 VAL 2 -8.064 1.602 -3.545 21 HA PH6 3 HA TCP 3 -7.446 0.225 1.109 22 HB2 PH6 3 1HB TCP 3 -9.284 -1.113 1.210 23 HB3 PH6 3 2HB TCP 3 -8.422 -2.170 0.106 24 HG2 PH6 3 HG TCP 3 -9.483 -1.355 -1.831 25 HD2 PH6 3 1HD TCP 3 -10.637 1.197 -0.692 26 HD3 PH6 3 2HD TCP 3 -9.845 0.848 -2.232 27 H1 PH6 3 H19 TCP 3 -11.236 -2.474 -0.525 28 H61 PH6 3 H20 TCP 3 -11.343 -1.025 1.548 29 H62 PH6 3 H21 TCP 3 -11.981 0.319 0.626 30 H21 PH6 3 H17 TCP 3 -11.815 -1.589 -2.792 31 H22 PH6 3 H18 TCP 3 -12.262 -0.028 -2.121 32 H51 PH6 3 H11 TCP 3 -13.791 -0.832 1.800 33 H52 PH6 3 H12 TCP 3 -13.351 -2.383 1.075 34 H41 PH6 3 H13 TCP 3 -15.286 -1.334 -0.174 35 H42 PH6 3 H14 TCP 3 -14.338 0.125 -0.467 36 H31 PH6 3 H15 TCP 3 -14.311 -1.361 -2.506 37 H32 PH6 3 H16 TCP 3 -13.673 -2.703 -1.554 38 H TRP 4 H TRP 4 -5.645 1.151 -0.090 39 HA TRP 4 HA TRP 4 -4.440 -0.280 -2.351 40 HB2 TRP 4 1HB TRP 4 -3.309 1.646 -0.272 41 HB3 TRP 4 2HB TRP 4 -2.236 0.822 -1.401 42 HD1 TRP 4 HD1 TRP 4 -3.665 0.974 -4.172 43 HE1 TRP 4 HE1 TRP 4 -3.811 3.252 -5.506 44 HE3 TRP 4 HE3 TRP 4 -3.243 4.046 -0.134 45 HZ2 TRP 4 HZ2 TRP 4 -3.650 5.975 -4.720 46 HZ3 TRP 4 HZ3 TRP 4 -3.136 6.502 -0.485 47 HH2 TRP 4 HH2 TRP 4 -3.378 7.451 -2.745 48 H PHE 5 H PHE 5 -4.258 -2.368 -2.193 49 HA PHE 5 HA PHE 5 -3.311 -3.944 0.067 50 HB2 PHE 5 2HB PHE 5 -3.206 -4.664 -2.937 51 HB3 PHE 5 1HB PHE 5 -2.997 -5.795 -1.631 52 HD1 PHE 5 HD1 PHE 5 -5.433 -4.377 -3.812 53 HD2 PHE 5 HD2 PHE 5 -4.976 -5.903 0.184 54 HE1 PHE 5 HE1 PHE 5 -7.853 -4.793 -3.687 55 HE2 PHE 5 HE2 PHE 5 -7.401 -6.306 0.299 56 HZ PHE 5 HZ PHE 5 -8.844 -5.761 -1.637 57 H SER 6 H SER 6 -1.518 -2.752 -2.710 58 HA SER 6 HA SER 6 1.191 -3.529 -1.529 59 HB2 SER 6 2HB SER 6 0.423 -2.190 -4.208 60 HB3 SER 6 1HB SER 6 2.060 -2.615 -3.712 61 HG SER 6 HG SER 6 0.414 -4.204 -4.927 62 H LYS 7 H LYS 7 -0.483 -1.561 -0.128 63 HA LYS 7 HA LYS 7 1.009 1.061 -0.432 64 HB2 LYS 7 2HB LYS 7 -1.565 0.443 0.596 65 HB3 LYS 7 1HB LYS 7 -0.705 0.620 2.038 66 HG2 LYS 7 2HG LYS 7 0.216 2.934 0.778 67 HG3 LYS 7 1HG LYS 7 -1.191 2.658 -0.201 68 HD2 LYS 7 2HD LYS 7 -1.882 4.117 1.567 69 HD3 LYS 7 1HD LYS 7 -2.643 2.575 1.938 70 HE2 LYS 7 2HE LYS 7 -1.251 2.112 3.820 71 HE3 LYS 7 1HE LYS 7 0.139 2.966 3.170 72 HZ1 LYS 7 1HZ LYS 7 -0.917 4.332 4.973 73 HZ2 LYS 7 2HZ LYS 7 -1.098 5.129 3.536 74 HZ3 LYS 7 3HZ LYS 7 -2.365 4.334 4.196 75 H PHE 8 H PHE 8 0.736 -1.401 2.069 76 HA PHE 8 HA PHE 8 2.964 -0.354 3.787 77 HB2 PHE 8 2HB PHE 8 0.878 -2.551 3.975 78 HB3 PHE 8 1HB PHE 8 2.433 -3.162 4.379 79 HD1 PHE 8 HD1 PHE 8 -0.120 -0.653 5.342 80 HD2 PHE 8 HD2 PHE 8 3.701 -2.352 6.323 81 HE1 PHE 8 HE1 PHE 8 -0.223 0.387 7.585 82 HE2 PHE 8 HE2 PHE 8 3.596 -1.311 8.548 83 HZ PHE 8 HZ PHE 8 1.635 0.054 9.189 84 H LEU 9 H LEU 9 2.599 -2.986 1.446 85 HA LEU 9 HA LEU 9 5.499 -3.703 1.507 86 HB2 LEU 9 2HB LEU 9 3.042 -4.664 -0.024 87 HB3 LEU 9 1HB LEU 9 4.518 -4.667 -0.937 88 HG LEU 9 HG LEU 9 5.683 -5.949 0.960 89 HD11 LEU 9 1HD1 LEU 9 4.044 -5.480 2.826 90 HD12 LEU 9 2HD1 LEU 9 2.755 -6.322 1.934 91 HD13 LEU 9 3HD1 LEU 9 4.167 -7.224 2.539 92 HD21 LEU 9 1HD2 LEU 9 3.296 -7.406 -0.348 93 HD22 LEU 9 2HD2 LEU 9 4.769 -6.936 -1.230 94 HD23 LEU 9 3HD2 LEU 9 4.883 -8.078 0.115 95 H GLY 10 H GLY 10 3.540 -1.610 -0.654 96 HA2 GLY 10 1HA GLY 10 5.596 -1.006 -2.648 97 HA3 GLY 10 2HA GLY 10 4.278 0.059 -2.249 98 H ARG 11 H ARG 11 5.002 0.600 0.412 99 HA ARG 11 HA ARG 11 7.200 2.651 0.139 100 HB2 ARG 11 2HB ARG 11 5.363 1.674 2.416 101 HB3 ARG 11 1HB ARG 11 6.772 2.582 2.828 102 HG2 ARG 11 2HG ARG 11 5.178 3.861 0.576 103 HG3 ARG 11 1HG ARG 11 4.285 3.646 2.059 104 HD2 ARG 11 2HD ARG 11 6.448 4.762 3.274 105 HD3 ARG 11 1HD ARG 11 6.986 5.143 1.658 106 HE ARG 11 HE ARG 11 5.320 6.883 1.523 107 HH11 ARG 11 1HH1 ARG 11 3.200 5.851 4.766 108 HH12 ARG 11 2HH1 ARG 11 4.519 4.762 4.104 109 HH21 ARG 11 1HH2 ARG 11 2.815 7.685 3.674 110 HH22 ARG 11 2HH2 ARG 11 3.824 8.102 2.213 111 H ILE 12 H ILE 12 6.941 -0.335 2.112 112 HA ILE 12 HA ILE 12 9.760 -0.281 3.001 113 HB ILE 12 HB ILE 12 7.900 -2.713 2.844 114 HG12 ILE 12 2HG1 ILE 12 8.234 -0.803 5.259 115 HG13 ILE 12 1HG1 ILE 12 6.842 -0.859 4.216 116 HG21 ILE 12 1HG2 ILE 12 9.381 -3.641 4.714 117 HG22 ILE 12 2HG2 ILE 12 10.299 -3.350 3.241 118 HG23 ILE 12 3HG2 ILE 12 10.422 -2.199 4.585 119 HD11 ILE 12 1HD1 ILE 12 6.806 -3.516 4.892 120 HD12 ILE 12 2HD1 ILE 12 7.610 -2.857 6.336 121 HD13 ILE 12 3HD1 ILE 12 5.999 -2.262 5.859 122 H LEU 13 H LEU 13 8.238 -1.708 0.153 123 HA LEU 13 HA LEU 13 10.318 -3.279 -1.031 124 HB2 LEU 13 2HB LEU 13 7.987 -1.580 -2.009 125 HB3 LEU 13 1HB LEU 13 9.179 -1.827 -3.202 126 HG LEU 13 HG LEU 13 7.980 -4.226 -1.707 127 HD11 LEU 13 1HD1 LEU 13 6.913 -2.677 -4.143 128 HD12 LEU 13 2HD1 LEU 13 6.573 -4.413 -3.941 129 HD13 LEU 13 3HD1 LEU 13 6.048 -3.273 -2.708 130 HD21 LEU 13 1HD2 LEU 13 8.774 -4.939 -4.380 131 HD22 LEU 13 2HD2 LEU 13 10.072 -3.874 -3.834 132 HD23 LEU 13 3HD2 LEU 13 9.649 -5.303 -2.882 133 HN1 NH2 14 1HN NH2 14 11.859 0.428 -1.839 134 HN2 NH2 14 2HN NH2 14 10.066 0.294 -1.455 Start of MODEL 16 1 H1 PHE 1 1H PHE 1 -12.897 7.348 1.198 2 H2 PHE 1 2H PHE 1 -12.565 7.074 -0.417 3 H3 PHE 1 3H PHE 1 -13.368 5.950 0.451 4 HA PHE 1 HA PHE 1 -10.535 6.672 0.933 5 HB2 PHE 1 2HB PHE 1 -10.483 4.797 2.528 6 HB3 PHE 1 1HB PHE 1 -11.584 6.022 3.059 7 HD1 PHE 1 HD1 PHE 1 -14.119 5.603 2.865 8 HD2 PHE 1 HD2 PHE 1 -11.262 2.483 2.025 9 HE1 PHE 1 HE1 PHE 1 -15.909 3.929 2.937 10 HE2 PHE 1 HE2 PHE 1 -13.070 0.819 2.156 11 HZ PHE 1 HZ PHE 1 -15.392 1.538 2.601 12 H VAL 2 H VAL 2 -9.001 5.099 0.211 13 HA VAL 2 HA VAL 2 -10.036 3.342 -2.030 14 HB VAL 2 HB VAL 2 -8.536 5.230 -2.724 15 HG11 VAL 2 1HG1 VAL 2 -6.196 3.526 -1.687 16 HG12 VAL 2 2HG1 VAL 2 -6.139 5.161 -2.393 17 HG13 VAL 2 3HG1 VAL 2 -6.800 4.903 -0.760 18 HG21 VAL 2 1HG2 VAL 2 -7.305 3.862 -4.402 19 HG22 VAL 2 2HG2 VAL 2 -7.582 2.386 -3.448 20 HG23 VAL 2 3HG2 VAL 2 -8.951 3.249 -4.187 21 HA PH6 3 HA TCP 3 -8.432 -0.125 0.656 22 HB2 PH6 3 1HB TCP 3 -10.156 -1.361 -0.289 23 HB3 PH6 3 2HB TCP 3 -8.814 -2.159 -1.111 24 HG2 PH6 3 HG TCP 3 -9.056 -0.826 -3.117 25 HD2 PH6 3 1HD TCP 3 -10.982 1.124 -1.761 26 HD3 PH6 3 2HD TCP 3 -9.742 1.384 -3.021 27 H1 PH6 3 H19 TCP 3 -12.283 -3.011 -5.520 28 H61 PH6 3 H20 TCP 3 -13.429 -0.774 -5.478 29 H62 PH6 3 H21 TCP 3 -13.828 -0.973 -3.771 30 H21 PH6 3 H17 TCP 3 -13.148 -3.273 -2.556 31 H22 PH6 3 H18 TCP 3 -13.942 -3.198 -4.948 32 H51 PH6 3 H11 TCP 3 -11.822 0.470 -4.024 33 H52 PH6 3 H12 TCP 3 -10.973 -0.762 -4.952 34 H41 PH6 3 H13 TCP 3 -11.924 -1.082 -2.020 35 H42 PH6 3 H14 TCP 3 -10.715 -3.290 -2.051 36 H31 PH6 3 H15 TCP 3 -10.296 -3.061 -3.747 37 H32 PH6 3 H16 TCP 3 -12.332 -4.517 -3.504 38 H TRP 4 H TRP 4 -6.418 1.030 0.500 39 HA TRP 4 HA TRP 4 -4.374 0.316 -1.484 40 HB2 TRP 4 1HB TRP 4 -4.321 1.653 1.271 41 HB3 TRP 4 2HB TRP 4 -2.838 1.091 0.620 42 HD1 TRP 4 HD1 TRP 4 -3.183 1.955 -2.566 43 HE1 TRP 4 HE1 TRP 4 -3.136 4.487 -3.290 44 HE3 TRP 4 HE3 TRP 4 -4.262 3.901 2.030 45 HZ2 TRP 4 HZ2 TRP 4 -3.455 6.926 -1.876 46 HZ3 TRP 4 HZ3 TRP 4 -4.386 6.358 2.285 47 HH2 TRP 4 HH2 TRP 4 -4.007 7.851 0.359 48 H PHE 5 H PHE 5 -3.664 -1.577 -1.800 49 HA PHE 5 HA PHE 5 -3.134 -3.589 0.445 50 HB2 PHE 5 2HB PHE 5 -3.254 -4.066 -2.599 51 HB3 PHE 5 1HB PHE 5 -3.099 -5.288 -1.370 52 HD1 PHE 5 HD1 PHE 5 -5.453 -3.629 -3.423 53 HD2 PHE 5 HD2 PHE 5 -5.047 -5.233 0.548 54 HE1 PHE 5 HE1 PHE 5 -7.892 -3.846 -3.256 55 HE2 PHE 5 HE2 PHE 5 -7.495 -5.431 0.709 56 HZ PHE 5 HZ PHE 5 -8.921 -4.764 -1.199 57 H SER 6 H SER 6 -1.490 -2.445 -2.508 58 HA SER 6 HA SER 6 1.236 -3.307 -1.491 59 HB2 SER 6 2HB SER 6 1.993 -2.676 -3.723 60 HB3 SER 6 1HB SER 6 0.567 -3.689 -3.887 61 HG SER 6 HG SER 6 0.929 -1.257 -4.854 62 H LYS 7 H LYS 7 -0.225 -1.198 -0.051 63 HA LYS 7 HA LYS 7 1.450 1.305 -0.477 64 HB2 LYS 7 2HB LYS 7 -0.890 1.578 0.102 65 HB3 LYS 7 1HB LYS 7 -0.738 0.624 1.580 66 HG2 LYS 7 2HG LYS 7 -0.843 2.966 2.168 67 HG3 LYS 7 1HG LYS 7 0.761 2.390 2.587 68 HD2 LYS 7 2HD LYS 7 1.830 3.460 0.675 69 HD3 LYS 7 1HD LYS 7 0.338 3.604 -0.208 70 HE2 LYS 7 2HE LYS 7 0.178 5.761 0.434 71 HE3 LYS 7 1HE LYS 7 -0.402 5.174 1.976 72 HZ1 LYS 7 1HZ LYS 7 1.590 6.627 2.337 73 HZ2 LYS 7 2HZ LYS 7 1.993 5.091 2.776 74 HZ3 LYS 7 3HZ LYS 7 2.510 5.676 1.338 75 H PHE 8 H PHE 8 1.040 -1.049 2.138 76 HA PHE 8 HA PHE 8 3.419 -0.128 3.716 77 HB2 PHE 8 2HB PHE 8 1.292 -2.338 3.949 78 HB3 PHE 8 1HB PHE 8 2.834 -2.697 4.630 79 HD1 PHE 8 HD1 PHE 8 0.777 0.539 4.558 80 HD2 PHE 8 HD2 PHE 8 2.823 -2.412 6.929 81 HE1 PHE 8 HE1 PHE 8 0.309 1.838 6.594 82 HE2 PHE 8 HE2 PHE 8 2.319 -1.124 8.954 83 HZ PHE 8 HZ PHE 8 1.070 1.006 8.796 84 H LEU 9 H LEU 9 2.796 -2.820 1.519 85 HA LEU 9 HA LEU 9 5.633 -3.752 1.501 86 HB2 LEU 9 2HB LEU 9 3.054 -4.540 0.073 87 HB3 LEU 9 1HB LEU 9 4.493 -4.678 -0.890 88 HG LEU 9 HG LEU 9 5.611 -6.010 0.996 89 HD11 LEU 9 1HD1 LEU 9 2.713 -6.042 2.096 90 HD12 LEU 9 2HD1 LEU 9 3.998 -7.160 2.616 91 HD13 LEU 9 3HD1 LEU 9 4.162 -5.423 2.924 92 HD21 LEU 9 1HD2 LEU 9 3.351 -7.788 0.221 93 HD22 LEU 9 2HD2 LEU 9 3.912 -6.828 -1.155 94 HD23 LEU 9 3HD2 LEU 9 5.061 -7.815 -0.253 95 H GLY 10 H GLY 10 3.782 -1.546 -0.634 96 HA2 GLY 10 1HA GLY 10 5.835 -1.162 -2.696 97 HA3 GLY 10 2HA GLY 10 4.604 0.009 -2.309 98 H ARG 11 H ARG 11 5.445 0.508 0.360 99 HA ARG 11 HA ARG 11 7.766 2.402 -0.022 100 HB2 ARG 11 2HB ARG 11 6.026 1.618 2.411 101 HB3 ARG 11 1HB ARG 11 7.454 2.594 2.624 102 HG2 ARG 11 2HG ARG 11 5.150 3.355 0.749 103 HG3 ARG 11 1HG ARG 11 5.305 3.905 2.414 104 HD2 ARG 11 2HD ARG 11 6.750 5.640 1.798 105 HD3 ARG 11 1HD ARG 11 7.901 4.495 1.213 106 HE ARG 11 HE ARG 11 7.313 4.972 -1.043 107 HH11 ARG 11 1HH1 ARG 11 3.873 6.838 -0.412 108 HH12 ARG 11 2HH1 ARG 11 4.827 5.998 0.951 109 HH21 ARG 11 1HH2 ARG 11 4.681 6.663 -2.377 110 HH22 ARG 11 2HH2 ARG 11 6.302 5.874 -2.609 111 H ILE 12 H ILE 12 7.323 -0.482 2.056 112 HA ILE 12 HA ILE 12 10.158 -0.632 2.854 113 HB ILE 12 HB ILE 12 8.108 -2.902 2.825 114 HG12 ILE 12 2HG1 ILE 12 8.641 -0.980 5.180 115 HG13 ILE 12 1HG1 ILE 12 7.233 -0.930 4.153 116 HG21 ILE 12 1HG2 ILE 12 10.958 -2.803 3.722 117 HG22 ILE 12 2HG2 ILE 12 9.924 -3.273 5.059 118 HG23 ILE 12 3HG2 ILE 12 9.873 -4.186 3.539 119 HD11 ILE 12 1HD1 ILE 12 6.692 -3.387 4.815 120 HD12 ILE 12 2HD1 ILE 12 7.921 -3.201 6.089 121 HD13 ILE 12 3HD1 ILE 12 6.489 -2.149 6.081 122 H LEU 13 H LEU 13 8.462 -2.016 0.075 123 HA LEU 13 HA LEU 13 10.412 -3.759 -1.072 124 HB2 LEU 13 2HB LEU 13 8.238 -1.901 -2.133 125 HB3 LEU 13 1HB LEU 13 9.401 -2.338 -3.315 126 HG LEU 13 HG LEU 13 7.887 -4.458 -1.693 127 HD11 LEU 13 1HD1 LEU 13 7.008 -4.386 -4.483 128 HD12 LEU 13 2HD1 LEU 13 6.064 -4.036 -3.024 129 HD13 LEU 13 3HD1 LEU 13 6.902 -2.734 -3.888 130 HD21 LEU 13 1HD2 LEU 13 9.554 -4.639 -4.305 131 HD22 LEU 13 2HD2 LEU 13 10.089 -5.220 -2.718 132 HD23 LEU 13 3HD2 LEU 13 8.710 -5.995 -3.512 133 HN1 NH2 14 1HN NH2 14 12.257 -0.232 -1.939 134 HN2 NH2 14 2HN NH2 14 10.488 -0.198 -1.449 Start of MODEL 17 1 H1 PHE 1 1H PHE 1 -12.926 6.824 1.711 2 H2 PHE 1 2H PHE 1 -13.115 6.261 0.152 3 H3 PHE 1 3H PHE 1 -13.097 5.209 1.397 4 HA PHE 1 HA PHE 1 -10.745 6.817 0.563 5 HB2 PHE 1 2HB PHE 1 -9.461 5.524 2.210 6 HB3 PHE 1 1HB PHE 1 -10.717 6.408 3.005 7 HD1 PHE 1 HD1 PHE 1 -9.576 2.983 1.985 8 HD2 PHE 1 HD2 PHE 1 -12.564 5.183 4.171 9 HE1 PHE 1 HE1 PHE 1 -10.421 0.891 2.946 10 HE2 PHE 1 HE2 PHE 1 -13.389 3.077 5.131 11 HZ PHE 1 HZ PHE 1 -12.325 0.931 4.523 12 H VAL 2 H VAL 2 -8.943 5.446 -0.271 13 HA VAL 2 HA VAL 2 -10.019 3.388 -2.163 14 HB VAL 2 HB VAL 2 -8.508 5.226 -2.972 15 HG11 VAL 2 1HG1 VAL 2 -6.736 4.971 -1.037 16 HG12 VAL 2 2HG1 VAL 2 -6.182 3.527 -1.889 17 HG13 VAL 2 3HG1 VAL 2 -6.097 5.114 -2.694 18 HG21 VAL 2 1HG2 VAL 2 -7.284 3.740 -4.589 19 HG22 VAL 2 2HG2 VAL 2 -7.643 2.326 -3.581 20 HG23 VAL 2 3HG2 VAL 2 -8.964 3.224 -4.367 21 HA PH6 3 HA TCP 3 -8.381 0.007 0.612 22 HB2 PH6 3 1HB TCP 3 -10.031 -1.335 -0.173 23 HB3 PH6 3 2HB TCP 3 -8.780 -2.112 -1.120 24 HG2 PH6 3 HG TCP 3 -9.219 -0.911 -3.092 25 HD2 PH6 3 1HD TCP 3 -10.887 1.309 -1.881 26 HD3 PH6 3 2HD TCP 3 -9.641 1.325 -3.134 27 H1 PH6 3 H19 TCP 3 -13.718 -2.605 -1.917 28 H61 PH6 3 H20 TCP 3 -15.230 -1.321 -3.490 29 H62 PH6 3 H21 TCP 3 -14.360 0.175 -3.144 30 H21 PH6 3 H17 TCP 3 -12.506 0.142 -1.315 31 H22 PH6 3 H18 TCP 3 -14.494 -1.257 -1.074 32 H51 PH6 3 H11 TCP 3 -13.558 -0.820 -5.319 33 H52 PH6 3 H12 TCP 3 -13.151 -2.335 -4.509 34 H41 PH6 3 H13 TCP 3 -11.092 -0.956 -4.801 35 H42 PH6 3 H14 TCP 3 -11.859 0.413 -4.010 36 H31 PH6 3 H15 TCP 3 -11.198 -2.315 -2.704 37 H32 PH6 3 H16 TCP 3 -12.088 -1.367 -0.534 38 H TRP 4 H TRP 4 -6.374 1.128 0.369 39 HA TRP 4 HA TRP 4 -4.368 0.294 -1.594 40 HB2 TRP 4 1HB TRP 4 -4.258 1.757 1.094 41 HB3 TRP 4 2HB TRP 4 -2.796 1.149 0.436 42 HD1 TRP 4 HD1 TRP 4 -3.206 1.865 -2.780 43 HE1 TRP 4 HE1 TRP 4 -3.138 4.360 -3.622 44 HE3 TRP 4 HE3 TRP 4 -4.150 4.034 1.745 45 HZ2 TRP 4 HZ2 TRP 4 -3.402 6.864 -2.315 46 HZ3 TRP 4 HZ3 TRP 4 -4.239 6.501 1.889 47 HH2 TRP 4 HH2 TRP 4 -3.889 7.899 -0.112 48 H PHE 5 H PHE 5 -3.688 -1.607 -1.827 49 HA PHE 5 HA PHE 5 -3.146 -3.526 0.495 50 HB2 PHE 5 2HB PHE 5 -3.277 -4.119 -2.528 51 HB3 PHE 5 1HB PHE 5 -3.141 -5.298 -1.251 52 HD1 PHE 5 HD1 PHE 5 -5.139 -4.743 0.754 53 HD2 PHE 5 HD2 PHE 5 -5.434 -4.129 -3.496 54 HE1 PHE 5 HE1 PHE 5 -7.583 -4.906 0.893 55 HE2 PHE 5 HE2 PHE 5 -7.878 -4.316 -3.344 56 HZ PHE 5 HZ PHE 5 -8.960 -4.720 -1.155 57 H SER 6 H SER 6 -1.522 -2.469 -2.484 58 HA SER 6 HA SER 6 1.194 -3.365 -1.437 59 HB2 SER 6 2HB SER 6 0.679 -1.942 -4.110 60 HB3 SER 6 1HB SER 6 2.015 -2.985 -3.648 61 HG SER 6 HG SER 6 -0.040 -4.539 -3.359 62 H LYS 7 H LYS 7 -0.240 -1.172 -0.098 63 HA LYS 7 HA LYS 7 1.465 1.286 -0.631 64 HB2 LYS 7 2HB LYS 7 -0.861 1.669 -0.103 65 HB3 LYS 7 1HB LYS 7 -0.774 0.749 1.407 66 HG2 LYS 7 2HG LYS 7 -0.820 3.139 1.923 67 HG3 LYS 7 1HG LYS 7 0.729 2.471 2.421 68 HD2 LYS 7 2HD LYS 7 1.825 3.302 0.301 69 HD3 LYS 7 1HD LYS 7 0.265 3.895 -0.293 70 HE2 LYS 7 2HE LYS 7 0.148 5.459 1.766 71 HE3 LYS 7 1HE LYS 7 1.740 4.864 2.278 72 HZ1 LYS 7 1HZ LYS 7 1.941 6.919 0.792 73 HZ2 LYS 7 2HZ LYS 7 2.645 5.613 0.039 74 HZ3 LYS 7 3HZ LYS 7 1.173 6.130 -0.425 75 H PHE 8 H PHE 8 0.980 -0.931 2.093 76 HA PHE 8 HA PHE 8 3.331 0.053 3.645 77 HB2 PHE 8 2HB PHE 8 1.029 -1.767 4.138 78 HB3 PHE 8 1HB PHE 8 2.455 -2.705 4.365 79 HD1 PHE 8 HD1 PHE 8 3.698 -2.480 6.416 80 HD2 PHE 8 HD2 PHE 8 0.949 0.626 5.285 81 HE1 PHE 8 HE1 PHE 8 3.992 -1.415 8.613 82 HE2 PHE 8 HE2 PHE 8 1.262 1.696 7.486 83 HZ PHE 8 HZ PHE 8 2.775 0.671 9.156 84 H LEU 9 H LEU 9 2.741 -2.717 1.556 85 HA LEU 9 HA LEU 9 5.564 -3.680 1.624 86 HB2 LEU 9 2HB LEU 9 2.991 -4.524 0.220 87 HB3 LEU 9 1HB LEU 9 4.421 -4.685 -0.752 88 HG LEU 9 HG LEU 9 5.571 -5.921 1.177 89 HD11 LEU 9 1HD1 LEU 9 4.280 -6.829 3.008 90 HD12 LEU 9 2HD1 LEU 9 3.752 -5.145 2.951 91 HD13 LEU 9 3HD1 LEU 9 2.716 -6.409 2.267 92 HD21 LEU 9 1HD2 LEU 9 4.885 -7.959 0.277 93 HD22 LEU 9 2HD2 LEU 9 3.154 -7.548 0.250 94 HD23 LEU 9 3HD2 LEU 9 4.251 -6.896 -0.979 95 H GLY 10 H GLY 10 3.777 -1.556 -0.640 96 HA2 GLY 10 1HA GLY 10 5.864 -1.280 -2.691 97 HA3 GLY 10 2HA GLY 10 4.636 -0.085 -2.366 98 H ARG 11 H ARG 11 5.429 0.530 0.284 99 HA ARG 11 HA ARG 11 7.784 2.359 -0.147 100 HB2 ARG 11 2HB ARG 11 5.939 1.738 2.258 101 HB3 ARG 11 1HB ARG 11 7.400 2.639 2.511 102 HG2 ARG 11 2HG ARG 11 5.203 3.530 0.543 103 HG3 ARG 11 1HG ARG 11 5.383 4.082 2.219 104 HD2 ARG 11 2HD ARG 11 7.907 4.697 1.502 105 HD3 ARG 11 1HD ARG 11 7.324 4.509 -0.159 106 HE ARG 11 HE ARG 11 5.602 6.347 1.469 107 HH11 ARG 11 1HH1 ARG 11 8.700 8.061 -0.373 108 HH12 ARG 11 2HH1 ARG 11 8.660 6.250 -0.160 109 HH21 ARG 11 1HH2 ARG 11 7.053 9.192 0.345 110 HH22 ARG 11 2HH2 ARG 11 5.646 8.397 1.182 111 H ILE 12 H ILE 12 7.293 -0.420 2.047 112 HA ILE 12 HA ILE 12 10.117 -0.560 2.896 113 HB ILE 12 HB ILE 12 8.052 -2.826 2.899 114 HG12 ILE 12 2HG1 ILE 12 8.574 -0.806 5.186 115 HG13 ILE 12 1HG1 ILE 12 7.174 -0.800 4.157 116 HG21 ILE 12 1HG2 ILE 12 9.462 -3.766 4.812 117 HG22 ILE 12 2HG2 ILE 12 10.398 -3.637 3.328 118 HG23 ILE 12 3HG2 ILE 12 10.617 -2.425 4.606 119 HD11 ILE 12 1HD1 ILE 12 7.034 -3.450 5.061 120 HD12 ILE 12 2HD1 ILE 12 7.705 -2.595 6.469 121 HD13 ILE 12 3HD1 ILE 12 6.152 -2.077 5.760 122 H LEU 13 H LEU 13 8.446 -2.030 0.147 123 HA LEU 13 HA LEU 13 10.380 -3.836 -0.921 124 HB2 LEU 13 2HB LEU 13 8.216 -2.010 -2.053 125 HB3 LEU 13 1HB LEU 13 9.384 -2.482 -3.216 126 HG LEU 13 HG LEU 13 7.947 -4.591 -1.513 127 HD11 LEU 13 1HD1 LEU 13 6.619 -4.854 -3.846 128 HD12 LEU 13 2HD1 LEU 13 6.105 -3.629 -2.680 129 HD13 LEU 13 3HD1 LEU 13 7.072 -3.156 -4.094 130 HD21 LEU 13 1HD2 LEU 13 8.847 -6.179 -3.075 131 HD22 LEU 13 2HD2 LEU 13 9.194 -4.947 -4.317 132 HD23 LEU 13 3HD2 LEU 13 10.211 -5.068 -2.874 133 HN1 NH2 14 1HN NH2 14 12.247 -0.358 -1.973 134 HN2 NH2 14 2HN NH2 14 10.455 -0.303 -1.562 Start of MODEL 18 1 H1 PHE 1 1H PHE 1 -12.152 7.761 0.992 2 H2 PHE 1 2H PHE 1 -12.734 6.549 0.007 3 H3 PHE 1 3H PHE 1 -12.521 6.261 1.596 4 HA PHE 1 HA PHE 1 -10.301 6.775 -0.308 5 HB2 PHE 1 2HB PHE 1 -8.767 6.318 1.513 6 HB3 PHE 1 1HB PHE 1 -9.795 7.623 1.998 7 HD1 PHE 1 HD1 PHE 1 -8.898 4.045 2.615 8 HD2 PHE 1 HD2 PHE 1 -11.473 7.272 3.866 9 HE1 PHE 1 HE1 PHE 1 -9.552 2.771 4.612 10 HE2 PHE 1 HE2 PHE 1 -12.115 5.971 5.847 11 HZ PHE 1 HZ PHE 1 -11.157 3.727 6.228 12 H VAL 2 H VAL 2 -8.956 4.875 -0.739 13 HA VAL 2 HA VAL 2 -10.484 2.270 -0.444 14 HB VAL 2 HB VAL 2 -10.330 3.145 -2.796 15 HG11 VAL 2 1HG1 VAL 2 -7.832 3.887 -2.683 16 HG12 VAL 2 2HG1 VAL 2 -7.411 2.169 -2.727 17 HG13 VAL 2 3HG1 VAL 2 -8.274 2.903 -4.099 18 HG21 VAL 2 1HG2 VAL 2 -10.875 0.768 -2.311 19 HG22 VAL 2 2HG2 VAL 2 -9.900 0.893 -3.782 20 HG23 VAL 2 3HG2 VAL 2 -9.146 0.345 -2.268 21 HA PH6 3 HA TCP 3 -6.697 0.955 1.920 22 HB2 PH6 3 1HB TCP 3 -8.129 -0.410 3.118 23 HB3 PH6 3 2HB TCP 3 -7.332 -1.700 2.202 24 HG2 PH6 3 HG TCP 3 -9.083 -1.795 0.541 25 HD2 PH6 3 1HD TCP 3 -10.376 0.806 1.486 26 HD3 PH6 3 2HD TCP 3 -10.224 0.096 -0.144 27 H1 PH6 3 H19 TCP 3 -11.115 -2.850 4.763 28 H61 PH6 3 H20 TCP 3 -8.965 -2.880 3.508 29 H62 PH6 3 H21 TCP 3 -9.690 -3.770 2.172 30 H21 PH6 3 H17 TCP 3 -12.217 -4.544 2.413 31 H22 PH6 3 H18 TCP 3 -10.644 -4.507 4.377 32 H51 PH6 3 H11 TCP 3 -10.555 -0.961 3.115 33 H52 PH6 3 H12 TCP 3 -12.099 -0.963 1.102 34 H41 PH6 3 H13 TCP 3 -11.596 -2.600 0.701 35 H42 PH6 3 H14 TCP 3 -13.762 -2.612 1.969 36 H31 PH6 3 H15 TCP 3 -13.038 -1.687 3.285 37 H32 PH6 3 H16 TCP 3 -13.101 -4.134 3.884 38 H TRP 4 H TRP 4 -5.364 1.432 0.177 39 HA TRP 4 HA TRP 4 -4.744 -0.614 -1.921 40 HB2 TRP 4 1HB TRP 4 -3.412 2.031 -1.138 41 HB3 TRP 4 2HB TRP 4 -2.703 0.911 -2.294 42 HD1 TRP 4 HD1 TRP 4 -4.978 -0.030 -4.172 43 HE1 TRP 4 HE1 TRP 4 -6.075 1.587 -5.949 44 HE3 TRP 4 HE3 TRP 4 -3.906 4.339 -1.748 45 HZ2 TRP 4 HZ2 TRP 4 -6.245 4.409 -6.161 46 HZ3 TRP 4 HZ3 TRP 4 -4.436 6.484 -2.859 47 HH2 TRP 4 HH2 TRP 4 -5.630 6.521 -5.014 48 H PHE 5 H PHE 5 -4.230 -2.459 -0.985 49 HA PHE 5 HA PHE 5 -2.283 -2.969 1.080 50 HB2 PHE 5 2HB PHE 5 -2.801 -4.968 -1.199 51 HB3 PHE 5 1HB PHE 5 -2.330 -5.312 0.436 52 HD1 PHE 5 HD1 PHE 5 -4.107 -4.535 2.336 53 HD2 PHE 5 HD2 PHE 5 -5.081 -5.122 -1.812 54 HE1 PHE 5 HE1 PHE 5 -6.489 -4.793 2.921 55 HE2 PHE 5 HE2 PHE 5 -7.450 -5.381 -1.217 56 HZ PHE 5 HZ PHE 5 -8.160 -5.233 1.146 57 H SER 6 H SER 6 -1.800 -3.179 -2.424 58 HA SER 6 HA SER 6 1.043 -3.647 -2.592 59 HB2 SER 6 2HB SER 6 0.183 -1.791 -4.740 60 HB3 SER 6 1HB SER 6 0.736 -3.441 -4.834 61 HG SER 6 HG SER 6 -1.284 -4.049 -5.071 62 H LYS 7 H LYS 7 -0.619 -0.567 -2.199 63 HA LYS 7 HA LYS 7 1.708 1.262 -2.240 64 HB2 LYS 7 2HB LYS 7 -1.054 1.328 -0.872 65 HB3 LYS 7 1HB LYS 7 0.124 2.450 -0.387 66 HG2 LYS 7 2HG LYS 7 0.353 2.915 -3.119 67 HG3 LYS 7 1HG LYS 7 -1.265 2.294 -3.089 68 HD2 LYS 7 2HD LYS 7 -1.497 4.649 -2.800 69 HD3 LYS 7 1HD LYS 7 -1.857 3.980 -1.226 70 HE2 LYS 7 2HE LYS 7 1.078 4.751 -1.750 71 HE3 LYS 7 1HE LYS 7 -0.060 6.089 -1.737 72 HZ1 LYS 7 1HZ LYS 7 0.788 5.583 0.598 73 HZ2 LYS 7 2HZ LYS 7 -0.838 5.353 0.539 74 HZ3 LYS 7 3HZ LYS 7 0.165 4.070 0.525 75 H PHE 8 H PHE 8 0.503 -0.787 0.352 76 HA PHE 8 HA PHE 8 2.360 0.259 2.429 77 HB2 PHE 8 2HB PHE 8 0.101 -1.615 2.407 78 HB3 PHE 8 1HB PHE 8 1.454 -2.572 2.865 79 HD1 PHE 8 HD1 PHE 8 3.217 -0.936 4.540 80 HD2 PHE 8 HD2 PHE 8 -1.079 -0.977 4.317 81 HE1 PHE 8 HE1 PHE 8 3.091 -0.015 6.808 82 HE2 PHE 8 HE2 PHE 8 -1.198 -0.093 6.608 83 HZ PHE 8 HZ PHE 8 0.886 0.405 7.858 84 H LEU 9 H LEU 9 2.302 -2.768 0.541 85 HA LEU 9 HA LEU 9 5.017 -3.624 1.160 86 HB2 LEU 9 2HB LEU 9 2.865 -4.477 -0.740 87 HB3 LEU 9 1HB LEU 9 4.378 -4.413 -1.571 88 HG LEU 9 HG LEU 9 5.408 -5.768 0.444 89 HD11 LEU 9 1HD1 LEU 9 2.426 -6.537 0.833 90 HD12 LEU 9 2HD1 LEU 9 3.824 -7.115 1.771 91 HD13 LEU 9 3HD1 LEU 9 3.283 -5.433 1.926 92 HD21 LEU 9 1HD2 LEU 9 3.394 -7.372 -1.235 93 HD22 LEU 9 2HD2 LEU 9 4.792 -6.582 -1.996 94 HD23 LEU 9 3HD2 LEU 9 5.052 -7.787 -0.733 95 H GLY 10 H GLY 10 3.948 -1.521 -1.497 96 HA2 GLY 10 1HA GLY 10 6.488 -1.045 -2.850 97 HA3 GLY 10 2HA GLY 10 5.188 0.126 -2.754 98 H ARG 11 H ARG 11 5.244 0.588 0.023 99 HA ARG 11 HA ARG 11 7.645 2.375 0.333 100 HB2 ARG 11 2HB ARG 11 5.147 1.785 2.052 101 HB3 ARG 11 1HB ARG 11 6.509 2.519 2.832 102 HG2 ARG 11 2HG ARG 11 5.229 3.742 0.313 103 HG3 ARG 11 1HG ARG 11 4.757 4.162 1.971 104 HD2 ARG 11 2HD ARG 11 7.115 4.876 2.525 105 HD3 ARG 11 1HD ARG 11 7.667 4.391 0.920 106 HE ARG 11 HE ARG 11 5.457 6.372 0.715 107 HH11 ARG 11 1HH1 ARG 11 9.207 7.753 0.598 108 HH12 ARG 11 2HH1 ARG 11 8.878 6.060 1.195 109 HH21 ARG 11 1HH2 ARG 11 7.550 8.939 -0.010 110 HH22 ARG 11 2HH2 ARG 11 5.848 8.292 0.053 111 H ILE 12 H ILE 12 6.549 -0.547 2.010 112 HA ILE 12 HA ILE 12 8.982 -0.792 3.697 113 HB ILE 12 HB ILE 12 7.038 -3.016 2.871 114 HG12 ILE 12 2HG1 ILE 12 5.689 -1.248 3.908 115 HG13 ILE 12 1HG1 ILE 12 5.714 -2.672 4.889 116 HG21 ILE 12 1HG2 ILE 12 9.048 -2.830 5.204 117 HG22 ILE 12 2HG2 ILE 12 7.760 -4.059 5.142 118 HG23 ILE 12 3HG2 ILE 12 9.020 -4.023 3.894 119 HD11 ILE 12 1HD1 ILE 12 7.818 -0.593 5.653 120 HD12 ILE 12 2HD1 ILE 12 6.131 -0.079 5.847 121 HD13 ILE 12 3HD1 ILE 12 6.730 -1.535 6.687 122 H LEU 13 H LEU 13 8.263 -1.945 0.451 123 HA LEU 13 HA LEU 13 10.725 -3.574 0.096 124 HB2 LEU 13 2HB LEU 13 8.600 -2.355 -1.780 125 HB3 LEU 13 1HB LEU 13 9.976 -3.185 -2.422 126 HG LEU 13 HG LEU 13 7.966 -4.540 -0.508 127 HD11 LEU 13 1HD1 LEU 13 8.168 -4.467 -3.584 128 HD12 LEU 13 2HD1 LEU 13 7.322 -5.771 -2.717 129 HD13 LEU 13 3HD1 LEU 13 6.770 -4.098 -2.547 130 HD21 LEU 13 1HD2 LEU 13 9.949 -5.799 -0.254 131 HD22 LEU 13 2HD2 LEU 13 9.201 -6.651 -1.613 132 HD23 LEU 13 3HD2 LEU 13 10.523 -5.499 -1.909 133 HN1 NH2 14 1HN NH2 14 12.789 -0.553 -0.049 134 HN2 NH2 14 2HN NH2 14 11.978 -1.682 1.152 Start of MODEL 19 1 H1 PHE 1 1H PHE 1 -12.919 6.725 1.812 2 H2 PHE 1 2H PHE 1 -13.136 6.139 0.265 3 H3 PHE 1 3H PHE 1 -13.031 5.099 1.514 4 HA PHE 1 HA PHE 1 -10.780 6.793 0.585 5 HB2 PHE 1 2HB PHE 1 -9.387 5.644 2.206 6 HB3 PHE 1 1HB PHE 1 -10.690 6.401 3.055 7 HD1 PHE 1 HD1 PHE 1 -8.994 3.226 2.362 8 HD2 PHE 1 HD2 PHE 1 -12.669 4.886 3.884 9 HE1 PHE 1 HE1 PHE 1 -9.590 1.050 3.337 10 HE2 PHE 1 HE2 PHE 1 -13.255 2.697 4.820 11 HZ PHE 1 HZ PHE 1 -11.719 0.781 4.564 12 H VAL 2 H VAL 2 -8.967 5.495 -0.321 13 HA VAL 2 HA VAL 2 -10.031 3.418 -2.178 14 HB VAL 2 HB VAL 2 -8.497 5.251 -2.963 15 HG11 VAL 2 1HG1 VAL 2 -6.185 3.540 -1.869 16 HG12 VAL 2 2HG1 VAL 2 -6.086 5.128 -2.668 17 HG13 VAL 2 3HG1 VAL 2 -6.741 4.983 -1.017 18 HG21 VAL 2 1HG2 VAL 2 -8.953 3.247 -4.366 19 HG22 VAL 2 2HG2 VAL 2 -7.279 3.780 -4.586 20 HG23 VAL 2 3HG2 VAL 2 -7.627 2.354 -3.584 21 HA PH6 3 HA TCP 3 -8.437 0.007 0.600 22 HB2 PH6 3 1HB TCP 3 -10.188 -1.236 -0.276 23 HB3 PH6 3 2HB TCP 3 -8.875 -2.087 -1.096 24 HG2 PH6 3 HG TCP 3 -9.124 -0.812 -3.136 25 HD2 PH6 3 1HD TCP 3 -10.991 1.216 -1.809 26 HD3 PH6 3 2HD TCP 3 -9.778 1.414 -3.106 27 H1 PH6 3 H19 TCP 3 -12.422 -3.019 -5.411 28 H61 PH6 3 H20 TCP 3 -13.527 -0.761 -5.433 29 H62 PH6 3 H21 TCP 3 -13.906 -0.893 -3.715 30 H21 PH6 3 H17 TCP 3 -13.250 -3.161 -2.428 31 H22 PH6 3 H18 TCP 3 -14.076 -3.155 -4.811 32 H51 PH6 3 H11 TCP 3 -11.877 0.502 -4.046 33 H52 PH6 3 H12 TCP 3 -11.064 -0.777 -4.941 34 H41 PH6 3 H13 TCP 3 -11.978 -0.977 -1.988 35 H42 PH6 3 H14 TCP 3 -10.813 -3.206 -1.956 36 H31 PH6 3 H15 TCP 3 -10.410 -3.047 -3.663 37 H32 PH6 3 H16 TCP 3 -12.471 -4.453 -3.343 38 H TRP 4 H TRP 4 -6.412 1.134 0.357 39 HA TRP 4 HA TRP 4 -4.400 0.299 -1.600 40 HB2 TRP 4 1HB TRP 4 -4.294 1.734 1.105 41 HB3 TRP 4 2HB TRP 4 -2.829 1.124 0.455 42 HD1 TRP 4 HD1 TRP 4 -3.195 1.881 -2.754 43 HE1 TRP 4 HE1 TRP 4 -3.096 4.387 -3.565 44 HE3 TRP 4 HE3 TRP 4 -4.179 4.003 1.785 45 HZ2 TRP 4 HZ2 TRP 4 -3.364 6.876 -2.233 46 HZ3 TRP 4 HZ3 TRP 4 -4.254 6.470 1.957 47 HH2 TRP 4 HH2 TRP 4 -3.871 7.889 -0.025 48 H PHE 5 H PHE 5 -3.636 -1.571 -1.837 49 HA PHE 5 HA PHE 5 -3.145 -3.521 0.477 50 HB2 PHE 5 2HB PHE 5 -3.254 -4.091 -2.549 51 HB3 PHE 5 1HB PHE 5 -3.135 -5.279 -1.281 52 HD1 PHE 5 HD1 PHE 5 -5.381 -4.279 -3.568 53 HD2 PHE 5 HD2 PHE 5 -5.185 -4.552 0.724 54 HE1 PHE 5 HE1 PHE 5 -7.830 -4.453 -3.455 55 HE2 PHE 5 HE2 PHE 5 -7.628 -4.700 0.821 56 HZ PHE 5 HZ PHE 5 -8.959 -4.682 -1.266 57 H SER 6 H SER 6 -1.509 -2.546 -2.528 58 HA SER 6 HA SER 6 1.184 -3.385 -1.444 59 HB2 SER 6 2HB SER 6 0.853 -1.919 -4.100 60 HB3 SER 6 1HB SER 6 1.998 -3.171 -3.625 61 HG SER 6 HG SER 6 0.192 -3.771 -5.101 62 H LYS 7 H LYS 7 -0.227 -1.161 -0.127 63 HA LYS 7 HA LYS 7 1.488 1.281 -0.680 64 HB2 LYS 7 2HB LYS 7 -0.899 1.614 -0.182 65 HB3 LYS 7 1HB LYS 7 -0.759 0.784 1.374 66 HG2 LYS 7 2HG LYS 7 -0.818 3.142 1.883 67 HG3 LYS 7 1HG LYS 7 0.810 2.594 2.187 68 HD2 LYS 7 2HD LYS 7 0.987 3.361 -0.560 69 HD3 LYS 7 1HD LYS 7 -0.243 4.446 -0.025 70 HE2 LYS 7 2HE LYS 7 2.513 4.051 1.413 71 HE3 LYS 7 1HE LYS 7 2.315 5.160 0.055 72 HZ1 LYS 7 1HZ LYS 7 1.856 6.365 2.254 73 HZ2 LYS 7 2HZ LYS 7 0.487 6.324 1.331 74 HZ3 LYS 7 3HZ LYS 7 0.645 5.301 2.585 75 H PHE 8 H PHE 8 0.981 -0.883 2.080 76 HA PHE 8 HA PHE 8 3.341 0.111 3.641 77 HB2 PHE 8 2HB PHE 8 1.421 -2.305 3.925 78 HB3 PHE 8 1HB PHE 8 2.862 -2.210 4.886 79 HD1 PHE 8 HD1 PHE 8 3.348 -0.001 6.208 80 HD2 PHE 8 HD2 PHE 8 -0.551 -1.127 4.786 81 HE1 PHE 8 HE1 PHE 8 2.311 1.480 7.875 82 HE2 PHE 8 HE2 PHE 8 -1.582 0.346 6.471 83 HZ PHE 8 HZ PHE 8 -0.155 1.653 8.018 84 H LEU 9 H LEU 9 2.730 -2.691 1.564 85 HA LEU 9 HA LEU 9 5.555 -3.649 1.676 86 HB2 LEU 9 2HB LEU 9 3.009 -4.507 0.237 87 HB3 LEU 9 1HB LEU 9 4.468 -4.717 -0.685 88 HG LEU 9 HG LEU 9 5.530 -5.924 1.323 89 HD11 LEU 9 1HD1 LEU 9 2.624 -6.252 2.320 90 HD12 LEU 9 2HD1 LEU 9 4.133 -6.806 3.090 91 HD13 LEU 9 3HD1 LEU 9 3.753 -5.082 3.042 92 HD21 LEU 9 1HD2 LEU 9 5.079 -7.612 -0.125 93 HD22 LEU 9 2HD2 LEU 9 3.550 -7.918 0.716 94 HD23 LEU 9 3HD2 LEU 9 3.583 -6.875 -0.711 95 H GLY 10 H GLY 10 3.787 -1.571 -0.648 96 HA2 GLY 10 1HA GLY 10 5.887 -1.320 -2.682 97 HA3 GLY 10 2HA GLY 10 4.668 -0.112 -2.373 98 H ARG 11 H ARG 11 5.456 0.526 0.266 99 HA ARG 11 HA ARG 11 7.816 2.357 -0.183 100 HB2 ARG 11 2HB ARG 11 6.003 1.736 2.246 101 HB3 ARG 11 1HB ARG 11 7.419 2.731 2.434 102 HG2 ARG 11 2HG ARG 11 5.247 3.398 0.343 103 HG3 ARG 11 1HG ARG 11 5.179 3.921 2.021 104 HD2 ARG 11 2HD ARG 11 7.615 4.971 1.648 105 HD3 ARG 11 1HD ARG 11 7.432 4.571 -0.038 106 HE ARG 11 HE ARG 11 6.050 6.480 -0.320 107 HH11 ARG 11 1HH1 ARG 11 5.108 7.124 3.531 108 HH12 ARG 11 2HH1 ARG 11 6.064 5.653 3.015 109 HH21 ARG 11 1HH2 ARG 11 4.528 8.494 1.952 110 HH22 ARG 11 2HH2 ARG 11 4.978 8.144 0.220 111 H ILE 12 H ILE 12 7.287 -0.391 2.048 112 HA ILE 12 HA ILE 12 10.100 -0.519 2.953 113 HB ILE 12 HB ILE 12 8.019 -2.775 2.967 114 HG12 ILE 12 2HG1 ILE 12 8.552 -0.735 5.236 115 HG13 ILE 12 1HG1 ILE 12 7.152 -0.716 4.197 116 HG21 ILE 12 1HG2 ILE 12 9.416 -3.716 4.879 117 HG22 ILE 12 2HG2 ILE 12 10.373 -3.578 3.415 118 HG23 ILE 12 3HG2 ILE 12 10.569 -2.368 4.696 119 HD11 ILE 12 1HD1 ILE 12 6.412 -1.800 6.222 120 HD12 ILE 12 2HD1 ILE 12 6.519 -3.085 4.992 121 HD13 ILE 12 3HD1 ILE 12 7.790 -2.918 6.229 122 H LEU 13 H LEU 13 8.457 -1.990 0.190 123 HA LEU 13 HA LEU 13 10.391 -3.851 -0.776 124 HB2 LEU 13 2HB LEU 13 8.236 -2.075 -2.009 125 HB3 LEU 13 1HB LEU 13 9.424 -2.592 -3.129 126 HG LEU 13 HG LEU 13 7.767 -4.563 -1.452 127 HD11 LEU 13 1HD1 LEU 13 7.476 -3.410 -4.308 128 HD12 LEU 13 2HD1 LEU 13 6.773 -4.980 -3.870 129 HD13 LEU 13 3HD1 LEU 13 6.255 -3.521 -3.018 130 HD21 LEU 13 1HD2 LEU 13 9.893 -5.626 -2.048 131 HD22 LEU 13 2HD2 LEU 13 8.728 -6.204 -3.245 132 HD23 LEU 13 3HD2 LEU 13 9.891 -4.926 -3.681 133 HN1 NH2 14 1HN NH2 14 12.234 -0.482 -2.251 134 HN2 NH2 14 2HN NH2 14 10.392 -0.467 -2.080 Start of MODEL 20 1 H1 PHE 1 1H PHE 1 -13.077 7.097 1.254 2 H2 PHE 1 2H PHE 1 -12.772 6.816 -0.363 3 H3 PHE 1 3H PHE 1 -13.459 5.649 0.551 4 HA PHE 1 HA PHE 1 -10.681 6.616 0.942 5 HB2 PHE 1 2HB PHE 1 -10.434 4.751 2.543 6 HB3 PHE 1 1HB PHE 1 -11.601 5.907 3.089 7 HD1 PHE 1 HD1 PHE 1 -11.198 2.443 1.649 8 HD2 PHE 1 HD2 PHE 1 -13.959 5.238 3.428 9 HE1 PHE 1 HE1 PHE 1 -12.895 0.676 1.827 10 HE2 PHE 1 HE2 PHE 1 -15.635 3.450 3.601 11 HZ PHE 1 HZ PHE 1 -15.111 1.173 2.802 12 H VAL 2 H VAL 2 -9.037 5.319 0.028 13 HA VAL 2 HA VAL 2 -9.975 3.474 -2.163 14 HB VAL 2 HB VAL 2 -8.443 5.368 -2.732 15 HG11 VAL 2 1HG1 VAL 2 -6.071 5.293 -2.272 16 HG12 VAL 2 2HG1 VAL 2 -6.806 4.954 -0.685 17 HG13 VAL 2 3HG1 VAL 2 -6.155 3.626 -1.647 18 HG21 VAL 2 1HG2 VAL 2 -7.147 4.058 -4.395 19 HG22 VAL 2 2HG2 VAL 2 -7.428 2.554 -3.491 20 HG23 VAL 2 3HG2 VAL 2 -8.787 3.408 -4.260 21 HA PH6 3 HA TCP 3 -8.507 -0.075 0.483 22 HB2 PH6 3 1HB TCP 3 -10.097 -1.350 -0.511 23 HB3 PH6 3 2HB TCP 3 -8.775 -2.058 -1.402 24 HG2 PH6 3 HG TCP 3 -9.063 -0.745 -3.328 25 HD2 PH6 3 1HD TCP 3 -10.842 1.382 -2.116 26 HD3 PH6 3 2HD TCP 3 -9.491 1.484 -3.252 27 H1 PH6 3 H19 TCP 3 -13.620 -2.546 -2.625 28 H61 PH6 3 H20 TCP 3 -15.025 -1.164 -4.214 29 H62 PH6 3 H21 TCP 3 -14.201 0.309 -3.701 30 H21 PH6 3 H17 TCP 3 -12.488 0.160 -1.742 31 H22 PH6 3 H18 TCP 3 -14.473 -1.267 -1.752 32 H51 PH6 3 H11 TCP 3 -13.226 -0.526 -5.873 33 H52 PH6 3 H12 TCP 3 -12.864 -2.091 -5.142 34 H41 PH6 3 H13 TCP 3 -10.804 -0.683 -5.180 35 H42 PH6 3 H14 TCP 3 -11.644 0.623 -4.358 36 H31 PH6 3 H15 TCP 3 -11.049 -2.182 -3.195 37 H32 PH6 3 H16 TCP 3 -12.114 -1.399 -1.040 38 H TRP 4 H TRP 4 -6.496 1.061 0.478 39 HA TRP 4 HA TRP 4 -4.344 0.376 -1.394 40 HB2 TRP 4 1HB TRP 4 -4.440 1.651 1.387 41 HB3 TRP 4 2HB TRP 4 -2.915 1.112 0.802 42 HD1 TRP 4 HD1 TRP 4 -3.120 2.037 -2.386 43 HE1 TRP 4 HE1 TRP 4 -3.004 4.591 -3.042 44 HE3 TRP 4 HE3 TRP 4 -4.428 3.878 2.195 45 HZ2 TRP 4 HZ2 TRP 4 -3.408 6.990 -1.591 46 HZ3 TRP 4 HZ3 TRP 4 -4.553 6.330 2.502 47 HH2 TRP 4 HH2 TRP 4 -4.065 7.866 0.634 48 H PHE 5 H PHE 5 -3.594 -1.488 -1.704 49 HA PHE 5 HA PHE 5 -3.176 -3.553 0.529 50 HB2 PHE 5 2HB PHE 5 -3.271 -4.005 -2.522 51 HB3 PHE 5 1HB PHE 5 -3.155 -5.237 -1.298 52 HD1 PHE 5 HD1 PHE 5 -5.132 -5.177 0.582 53 HD2 PHE 5 HD2 PHE 5 -5.444 -3.496 -3.366 54 HE1 PHE 5 HE1 PHE 5 -7.586 -5.328 0.702 55 HE2 PHE 5 HE2 PHE 5 -7.887 -3.679 -3.245 56 HZ PHE 5 HZ PHE 5 -8.967 -4.603 -1.218 57 H SER 6 H SER 6 -1.513 -2.511 -2.437 58 HA SER 6 HA SER 6 1.217 -3.310 -1.392 59 HB2 SER 6 2HB SER 6 1.938 -2.544 -3.684 60 HB3 SER 6 1HB SER 6 0.714 -3.799 -3.725 61 HG SER 6 HG SER 6 0.089 -1.007 -3.912 62 H LYS 7 H LYS 7 -0.239 -1.168 0.020 63 HA LYS 7 HA LYS 7 1.455 1.322 -0.463 64 HB2 LYS 7 2HB LYS 7 -0.942 1.523 0.080 65 HB3 LYS 7 1HB LYS 7 -0.723 0.759 1.646 66 HG2 LYS 7 2HG LYS 7 1.059 3.166 1.022 67 HG3 LYS 7 1HG LYS 7 -0.642 3.530 1.102 68 HD2 LYS 7 2HD LYS 7 -0.841 3.180 3.380 69 HD3 LYS 7 1HD LYS 7 0.272 1.833 3.432 70 HE2 LYS 7 2HE LYS 7 2.273 3.229 3.366 71 HE3 LYS 7 1HE LYS 7 1.360 4.681 2.931 72 HZ1 LYS 7 1HZ LYS 7 1.793 4.660 5.401 73 HZ2 LYS 7 2HZ LYS 7 0.179 4.535 5.145 74 HZ3 LYS 7 3HZ LYS 7 1.036 3.212 5.571 75 H PHE 8 H PHE 8 1.070 -1.054 2.138 76 HA PHE 8 HA PHE 8 3.470 -0.113 3.697 77 HB2 PHE 8 2HB PHE 8 1.246 -2.152 4.083 78 HB3 PHE 8 1HB PHE 8 2.788 -2.784 4.509 79 HD1 PHE 8 HD1 PHE 8 3.033 -2.730 6.833 80 HD2 PHE 8 HD2 PHE 8 1.324 0.701 4.916 81 HE1 PHE 8 HE1 PHE 8 2.946 -1.565 8.994 82 HE2 PHE 8 HE2 PHE 8 1.247 1.876 7.101 83 HZ PHE 8 HZ PHE 8 2.064 0.742 9.130 84 H LEU 9 H LEU 9 2.815 -2.808 1.509 85 HA LEU 9 HA LEU 9 5.652 -3.748 1.498 86 HB2 LEU 9 2HB LEU 9 3.094 -4.508 0.020 87 HB3 LEU 9 1HB LEU 9 4.563 -4.706 -0.883 88 HG LEU 9 HG LEU 9 5.568 -6.059 1.067 89 HD11 LEU 9 1HD1 LEU 9 2.672 -5.776 2.114 90 HD12 LEU 9 2HD1 LEU 9 3.698 -7.163 2.549 91 HD13 LEU 9 3HD1 LEU 9 4.205 -5.523 2.983 92 HD21 LEU 9 1HD2 LEU 9 3.138 -6.993 -0.582 93 HD22 LEU 9 2HD2 LEU 9 4.874 -7.183 -0.928 94 HD23 LEU 9 3HD2 LEU 9 4.134 -8.110 0.386 95 H GLY 10 H GLY 10 3.810 -1.527 -0.644 96 HA2 GLY 10 1HA GLY 10 5.864 -1.158 -2.703 97 HA3 GLY 10 2HA GLY 10 4.644 0.027 -2.306 98 H ARG 11 H ARG 11 5.461 0.553 0.337 99 HA ARG 11 HA ARG 11 7.814 2.394 -0.015 100 HB2 ARG 11 2HB ARG 11 5.834 1.732 2.237 101 HB3 ARG 11 1HB ARG 11 7.375 2.321 2.754 102 HG2 ARG 11 2HG ARG 11 5.814 3.833 0.583 103 HG3 ARG 11 1HG ARG 11 5.468 4.073 2.275 104 HD2 ARG 11 2HD ARG 11 8.453 4.186 1.754 105 HD3 ARG 11 1HD ARG 11 7.591 5.260 0.663 106 HE ARG 11 HE ARG 11 6.634 5.581 3.485 107 HH11 ARG 11 1HH1 ARG 11 9.700 7.898 2.429 108 HH12 ARG 11 2HH1 ARG 11 9.304 6.407 1.451 109 HH21 ARG 11 1HH2 ARG 11 8.479 8.345 4.113 110 HH22 ARG 11 2HH2 ARG 11 7.078 7.277 4.574 111 H ILE 12 H ILE 12 7.369 -0.512 2.021 112 HA ILE 12 HA ILE 12 10.214 -0.676 2.829 113 HB ILE 12 HB ILE 12 8.154 -2.934 2.788 114 HG12 ILE 12 2HG1 ILE 12 8.687 -1.012 5.142 115 HG13 ILE 12 1HG1 ILE 12 7.272 -0.991 4.127 116 HG21 ILE 12 1HG2 ILE 12 9.876 -4.248 3.532 117 HG22 ILE 12 2HG2 ILE 12 11.000 -2.892 3.656 118 HG23 ILE 12 3HG2 ILE 12 9.980 -3.301 5.028 119 HD11 ILE 12 1HD1 ILE 12 7.895 -2.916 6.332 120 HD12 ILE 12 2HD1 ILE 12 6.317 -2.330 5.745 121 HD13 ILE 12 3HD1 ILE 12 7.145 -3.659 4.904 122 H LEU 13 H LEU 13 8.485 -2.018 0.047 123 HA LEU 13 HA LEU 13 10.409 -3.779 -1.102 124 HB2 LEU 13 2HB LEU 13 8.240 -1.917 -2.167 125 HB3 LEU 13 1HB LEU 13 9.403 -2.362 -3.351 126 HG LEU 13 HG LEU 13 7.846 -4.434 -1.722 127 HD11 LEU 13 1HD1 LEU 13 6.951 -4.528 -4.443 128 HD12 LEU 13 2HD1 LEU 13 6.072 -3.824 -3.076 129 HD13 LEU 13 3HD1 LEU 13 7.069 -2.798 -4.123 130 HD21 LEU 13 1HD2 LEU 13 10.234 -4.972 -2.936 131 HD22 LEU 13 2HD2 LEU 13 8.885 -6.108 -3.024 132 HD23 LEU 13 3HD2 LEU 13 9.247 -5.023 -4.393 133 HN1 NH2 14 1HN NH2 14 12.254 -0.258 -2.061 134 HN2 NH2 14 2HN NH2 14 10.468 -0.222 -1.614
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