NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558200 | 2m1p | 18875 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -11.136 -1.064 3.115 2 HA2 GLY 1 2HA GLY 1 -11.942 -3.215 2.745 3 HA3 GLY 1 1HA GLY 1 -13.070 -2.574 1.564 4 H VAL 2 H VAL 2 -10.282 -1.146 0.681 5 HA VAL 2 HA VAL 2 -9.672 -3.386 -1.111 6 HB VAL 2 HB VAL 2 -9.355 -0.415 -1.663 7 HG11 VAL 2 1HG1 VAL 2 -7.681 -1.740 -2.836 8 HG12 VAL 2 2HG1 VAL 2 -8.866 -1.097 -3.973 9 HG13 VAL 2 3HG1 VAL 2 -8.941 -2.789 -3.486 10 HG21 VAL 2 3HG2 VAL 2 -11.186 -0.706 -3.283 11 HG22 VAL 2 1HG2 VAL 2 -11.711 -1.055 -1.636 12 HG23 VAL 2 2HG2 VAL 2 -11.379 -2.375 -2.758 13 H CYS 3 H CYS 3 -7.807 -4.306 -0.535 14 HA CYS 3 HA CYS 3 -5.791 -2.653 0.700 15 HB2 CYS 3 2HB CYS 3 -5.886 -5.613 0.276 16 HB3 CYS 3 1HB CYS 3 -4.570 -4.773 1.078 17 H ARG 4 H ARG 4 -4.223 -1.897 -0.187 18 HA ARG 4 HA ARG 4 -3.581 -2.686 -2.958 19 HB2 ARG 4 2HB ARG 4 -4.703 -0.475 -2.832 20 HB3 ARG 4 1HB ARG 4 -3.432 0.073 -1.746 21 HG2 ARG 4 2HG ARG 4 -3.015 0.938 -3.931 22 HG3 ARG 4 1HG ARG 4 -1.788 -0.259 -3.512 23 HD2 ARG 4 2HD ARG 4 -3.013 -1.942 -4.842 24 HD3 ARG 4 1HD ARG 4 -4.198 -0.711 -5.266 25 HE ARG 4 HE ARG 4 -1.475 -0.069 -5.935 26 HH11 ARG 4 1HH1 ARG 4 -4.523 -1.473 -7.078 27 HH12 ARG 4 2HH1 ARG 4 -4.113 -1.371 -8.727 28 HH21 ARG 4 1HH2 ARG 4 -0.934 0.081 -8.244 29 HH22 ARG 4 2HH2 ARG 4 -2.059 -0.495 -9.389 30 H ABA 5 H ABA 5 -1.592 -3.446 -3.162 31 HA ABA 5 HA ABA 5 0.391 -2.947 -1.103 32 HB3 ABA 5 1HB ABA 5 0.581 -4.643 -3.604 33 HB2 ABA 5 2HB ABA 5 0.101 -5.232 -2.017 34 HG1 ABA 5 3HG ABA 5 2.416 -5.781 -2.477 35 HG3 ABA 5 1HG ABA 5 2.300 -4.650 -1.130 36 HG2 ABA 5 2HG ABA 5 2.788 -4.077 -2.726 37 H VAL 6 H VAL 6 1.667 -1.337 -1.168 38 HA VAL 6 HA VAL 6 2.508 -0.281 -3.758 39 HB VAL 6 HB VAL 6 1.096 1.387 -2.634 40 HG11 VAL 6 1HG1 VAL 6 2.982 1.211 -0.292 41 HG12 VAL 6 2HG1 VAL 6 1.306 0.661 -0.327 42 HG13 VAL 6 3HG1 VAL 6 1.673 2.381 -0.474 43 HG21 VAL 6 3HG2 VAL 6 4.010 2.150 -2.483 44 HG22 VAL 6 1HG2 VAL 6 2.659 3.284 -2.522 45 HG23 VAL 6 2HG2 VAL 6 2.982 2.243 -3.909 46 H CYS 7 H CYS 7 4.636 -0.380 -4.123 47 HA CYS 7 HA CYS 7 6.254 -1.149 -1.845 48 HB2 CYS 7 2HB CYS 7 6.815 -1.596 -4.781 49 HB3 CYS 7 1HB CYS 7 7.793 -2.179 -3.442 50 H ARG 8 H ARG 8 7.882 0.028 -1.208 51 HA ARG 8 HA ARG 8 8.864 2.176 -2.941 52 HB2 ARG 8 2HB ARG 8 7.852 2.576 -0.116 53 HB3 ARG 8 1HB ARG 8 8.823 3.759 -0.982 54 HG2 ARG 8 2HG ARG 8 7.097 4.022 -2.648 55 HG3 ARG 8 1HG ARG 8 6.151 2.736 -1.903 56 HD2 ARG 8 2HD ARG 8 5.850 4.072 0.087 57 HD3 ARG 8 1HD ARG 8 6.875 5.348 -0.575 58 HE ARG 8 HE ARG 8 5.014 5.058 -2.461 59 HH11 ARG 8 1HH1 ARG 8 4.669 5.486 1.051 60 HH12 ARG 8 2HH1 ARG 8 3.242 6.379 0.956 61 HH21 ARG 8 1HH2 ARG 8 3.021 6.255 -2.606 62 HH22 ARG 8 2HH2 ARG 8 2.281 6.832 -1.187 63 H ARG 9 H ARG 9 10.952 2.074 -3.043 64 HA ARG 9 HA ARG 9 13.126 1.620 -2.658 65 HB2 ARG 9 2HB ARG 9 12.651 3.115 -0.630 66 HB3 ARG 9 1HB ARG 9 12.455 1.646 0.305 67 HG2 ARG 9 2HG ARG 9 14.818 1.061 -0.306 68 HG3 ARG 9 1HG ARG 9 14.961 2.674 -1.012 69 HD2 ARG 9 2HD ARG 9 15.833 2.733 1.231 70 HD3 ARG 9 1HD ARG 9 14.314 3.631 1.183 71 HE ARG 9 HE ARG 9 14.065 0.863 1.913 72 HH11 ARG 9 1HH1 ARG 9 14.531 4.136 3.155 73 HH12 ARG 9 2HH1 ARG 9 13.992 3.777 4.730 74 HH21 ARG 9 1HH2 ARG 9 13.293 0.361 4.097 75 HH22 ARG 9 2HH2 ARG 9 13.262 1.601 5.253 76 H GLY 10 H GLY 10 11.224 -0.454 -3.000 77 HA2 GLY 10 2HA GLY 10 11.427 -2.757 -3.228 78 HA3 GLY 10 1HA GLY 10 12.862 -2.683 -2.216 79 H VAL 11 H VAL 11 10.502 -1.025 -0.609 80 HA VAL 11 HA VAL 11 9.959 -3.340 1.068 81 HB VAL 11 HB VAL 11 9.509 -0.391 1.642 82 HG11 VAL 11 1HG1 VAL 11 9.245 -1.082 3.978 83 HG12 VAL 11 2HG1 VAL 11 9.430 -2.769 3.500 84 HG13 VAL 11 3HG1 VAL 11 8.040 -1.839 2.935 85 HG21 VAL 11 3HG2 VAL 11 11.753 -2.191 2.549 86 HG22 VAL 11 1HG2 VAL 11 11.472 -0.542 3.119 87 HG23 VAL 11 2HG2 VAL 11 11.880 -0.839 1.426 88 H CYS 12 H CYS 12 8.083 -4.281 0.565 89 HA CYS 12 HA CYS 12 6.077 -2.627 -0.667 90 HB2 CYS 12 2HB CYS 12 6.177 -5.602 -0.382 91 HB3 CYS 12 1HB CYS 12 4.891 -4.726 -1.189 92 H ARG 13 H ARG 13 4.455 -1.941 0.236 93 HA ARG 13 HA ARG 13 3.661 -3.065 2.834 94 HB2 ARG 13 2HB ARG 13 4.731 -0.885 3.159 95 HB3 ARG 13 1HB ARG 13 3.622 -0.166 1.997 96 HG2 ARG 13 2HG ARG 13 2.904 0.387 4.213 97 HG3 ARG 13 1HG ARG 13 1.751 -0.695 3.449 98 HD2 ARG 13 2HD ARG 13 2.738 -2.593 4.649 99 HD3 ARG 13 1HD ARG 13 3.859 -1.494 5.457 100 HE ARG 13 HE ARG 13 1.504 -0.447 6.091 101 HH11 ARG 13 1HH1 ARG 13 2.723 -3.771 6.306 102 HH12 ARG 13 2HH1 ARG 13 1.673 -4.240 7.555 103 HH21 ARG 13 1HH2 ARG 13 0.073 -1.095 7.842 104 HH22 ARG 13 2HH2 ARG 13 0.144 -2.672 8.468 105 H ABA 14 H ABA 14 1.654 -3.782 2.866 106 HA ABA 14 HA ABA 14 -0.177 -2.951 0.763 107 HB3 ABA 14 1HB ABA 14 -0.468 -5.135 2.832 108 HB2 ABA 14 2HB ABA 14 0.157 -5.389 1.206 109 HG1 ABA 14 3HG ABA 14 -2.163 -6.062 1.354 110 HG3 ABA 14 1HG ABA 14 -1.988 -4.678 0.273 111 HG2 ABA 14 2HG ABA 14 -2.611 -4.446 1.909 112 H VAL 15 H VAL 15 -1.141 -1.155 1.193 113 HA VAL 15 HA VAL 15 -2.080 -0.655 3.910 114 HB VAL 15 HB VAL 15 -2.558 1.674 3.131 115 HG11 VAL 15 1HG1 VAL 15 -0.420 1.190 4.184 116 HG12 VAL 15 2HG1 VAL 15 -0.240 2.428 2.943 117 HG13 VAL 15 3HG1 VAL 15 0.270 0.771 2.617 118 HG21 VAL 15 3HG2 VAL 15 -1.671 2.454 0.963 119 HG22 VAL 15 1HG2 VAL 15 -2.934 1.239 0.750 120 HG23 VAL 15 2HG2 VAL 15 -1.241 0.793 0.553 121 H CYS 16 H CYS 16 -4.285 -0.429 4.321 122 HA CYS 16 HA CYS 16 -5.876 -1.311 2.062 123 HB2 CYS 16 2HB CYS 16 -6.389 -1.909 4.990 124 HB3 CYS 16 1HB CYS 16 -7.404 -2.412 3.642 125 H ARG 17 H ARG 17 -7.655 -0.213 1.482 126 HA ARG 17 HA ARG 17 -8.363 2.043 3.150 127 HB2 ARG 17 2HB ARG 17 -8.251 3.537 1.156 128 HB3 ARG 17 1HB ARG 17 -6.683 2.918 1.641 129 HG2 ARG 17 2HG ARG 17 -7.036 1.135 -0.178 130 HG3 ARG 17 1HG ARG 17 -8.339 2.172 -0.753 131 HD2 ARG 17 2HD ARG 17 -5.424 2.915 -0.479 132 HD3 ARG 17 1HD ARG 17 -6.291 2.622 -1.980 133 HE ARG 17 HE ARG 17 -7.505 4.702 -0.479 134 HH11 ARG 17 1HH1 ARG 17 -4.747 4.066 -2.660 135 HH12 ARG 17 2HH1 ARG 17 -4.501 5.700 -3.034 136 HH21 ARG 17 1HH2 ARG 17 -7.205 6.907 -1.059 137 HH22 ARG 17 2HH2 ARG 17 -5.968 7.364 -2.157 138 H ARG 18 H ARG 18 -10.344 1.675 3.582 139 HA ARG 18 HA ARG 18 -12.514 1.175 3.515 140 HB2 ARG 18 2HB ARG 18 -12.412 3.309 2.227 141 HB3 ARG 18 1HB ARG 18 -12.371 2.375 0.742 142 HG2 ARG 18 2HG ARG 18 -14.603 1.509 1.203 143 HG3 ARG 18 1HG ARG 18 -14.628 2.375 2.740 144 HD2 ARG 18 2HD ARG 18 -15.865 3.594 1.029 145 HD3 ARG 18 1HD ARG 18 -14.448 4.496 1.561 146 HE ARG 18 HE ARG 18 -14.465 2.900 -0.897 147 HH11 ARG 18 1HH1 ARG 18 -13.722 5.937 0.772 148 HH12 ARG 18 2HH1 ARG 18 -13.194 6.748 -0.635 149 HH21 ARG 18 1HH2 ARG 18 -13.725 4.009 -2.809 150 HH22 ARG 18 2HH2 ARG 18 -13.188 5.625 -2.738 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.751 -0.407 3.150 2 HA2 GLY 1 2HA GLY 1 -11.142 -2.698 3.362 3 HA3 GLY 1 1HA GLY 1 -12.588 -2.494 2.386 4 H VAL 2 H VAL 2 -10.052 -1.068 0.786 5 HA VAL 2 HA VAL 2 -9.736 -3.431 -0.923 6 HB VAL 2 HB VAL 2 -9.280 -0.490 -1.539 7 HG11 VAL 2 1HG1 VAL 2 -9.203 -2.884 -3.376 8 HG12 VAL 2 2HG1 VAL 2 -7.818 -1.930 -2.859 9 HG13 VAL 2 3HG1 VAL 2 -9.061 -1.202 -3.880 10 HG21 VAL 2 3HG2 VAL 2 -11.268 -0.675 -2.969 11 HG22 VAL 2 1HG2 VAL 2 -11.638 -0.966 -1.265 12 HG23 VAL 2 2HG2 VAL 2 -11.511 -2.323 -2.387 13 H CYS 3 H CYS 3 -7.758 -4.330 -0.950 14 HA CYS 3 HA CYS 3 -5.740 -2.825 0.460 15 HB2 CYS 3 2HB CYS 3 -5.809 -5.743 -0.167 16 HB3 CYS 3 1HB CYS 3 -4.506 -4.937 0.690 17 H ARG 4 H ARG 4 -4.209 -1.983 -0.385 18 HA ARG 4 HA ARG 4 -3.463 -2.741 -3.120 19 HB2 ARG 4 2HB ARG 4 -4.492 -0.534 -3.138 20 HB3 ARG 4 1HB ARG 4 -3.441 0.001 -1.838 21 HG2 ARG 4 2HG ARG 4 -2.715 0.918 -3.946 22 HG3 ARG 4 1HG ARG 4 -1.514 -0.184 -3.285 23 HD2 ARG 4 2HD ARG 4 -2.417 -1.964 -4.774 24 HD3 ARG 4 1HD ARG 4 -3.466 -0.759 -5.513 25 HE ARG 4 HE ARG 4 -0.840 0.187 -5.595 26 HH11 ARG 4 1HH1 ARG 4 -2.770 -2.389 -7.058 27 HH12 ARG 4 2HH1 ARG 4 -1.802 -2.507 -8.446 28 HH21 ARG 4 1HH2 ARG 4 0.486 -0.002 -7.478 29 HH22 ARG 4 2HH2 ARG 4 0.087 -1.133 -8.683 30 H ABA 5 H ABA 5 -1.515 -3.569 -3.247 31 HA ABA 5 HA ABA 5 0.327 -3.273 -1.048 32 HB3 ABA 5 1HB ABA 5 0.548 -4.855 -3.630 33 HB2 ABA 5 2HB ABA 5 -0.051 -5.494 -2.106 34 HG1 ABA 5 3HG ABA 5 2.240 -6.183 -2.505 35 HG3 ABA 5 1HG ABA 5 2.136 -5.141 -1.083 36 HG2 ABA 5 2HG ABA 5 2.740 -4.498 -2.612 37 H VAL 6 H VAL 6 1.088 -1.216 -1.138 38 HA VAL 6 HA VAL 6 2.073 -0.172 -3.677 39 HB VAL 6 HB VAL 6 2.383 1.963 -2.565 40 HG11 VAL 6 1HG1 VAL 6 -0.251 0.768 -1.766 41 HG12 VAL 6 2HG1 VAL 6 0.138 1.519 -3.314 42 HG13 VAL 6 3HG1 VAL 6 0.105 2.493 -1.844 43 HG21 VAL 6 3HG2 VAL 6 1.631 0.585 0.019 44 HG22 VAL 6 1HG2 VAL 6 1.848 2.323 -0.176 45 HG23 VAL 6 2HG2 VAL 6 3.216 1.235 -0.400 46 H CYS 7 H CYS 7 4.320 0.306 -3.989 47 HA CYS 7 HA CYS 7 5.921 -0.912 -1.897 48 HB2 CYS 7 2HB CYS 7 6.384 -1.219 -4.866 49 HB3 CYS 7 1HB CYS 7 7.393 -1.894 -3.590 50 H ARG 8 H ARG 8 7.824 0.036 -1.360 51 HA ARG 8 HA ARG 8 8.922 2.099 -3.000 52 HB2 ARG 8 2HB ARG 8 8.890 3.796 -1.147 53 HB3 ARG 8 1HB ARG 8 7.355 3.505 -1.939 54 HG2 ARG 8 2HG ARG 8 6.657 2.112 -0.048 55 HG3 ARG 8 1HG ARG 8 8.209 2.428 0.748 56 HD2 ARG 8 2HD ARG 8 6.387 3.893 1.565 57 HD3 ARG 8 1HD ARG 8 7.721 4.790 0.832 58 HE ARG 8 HE ARG 8 5.583 4.141 -0.979 59 HH11 ARG 8 1HH1 ARG 8 6.643 6.528 1.391 60 HH12 ARG 8 2HH1 ARG 8 5.889 7.844 0.618 61 HH21 ARG 8 1HH2 ARG 8 4.553 5.905 -2.032 62 HH22 ARG 8 2HH2 ARG 8 4.621 7.475 -1.379 63 H ARG 9 H ARG 9 10.983 2.089 -2.896 64 HA ARG 9 HA ARG 9 13.115 1.644 -2.370 65 HB2 ARG 9 2HB ARG 9 12.521 3.182 -0.421 66 HB3 ARG 9 1HB ARG 9 12.233 1.741 0.528 67 HG2 ARG 9 2HG ARG 9 14.564 1.097 0.314 68 HG3 ARG 9 1HG ARG 9 14.880 2.509 -0.699 69 HD2 ARG 9 2HD ARG 9 14.259 3.980 1.148 70 HD3 ARG 9 1HD ARG 9 13.890 2.579 2.139 71 HE ARG 9 HE ARG 9 16.429 2.123 1.489 72 HH11 ARG 9 1HH1 ARG 9 14.828 4.976 2.870 73 HH12 ARG 9 2HH1 ARG 9 16.195 5.536 3.699 74 HH21 ARG 9 1HH2 ARG 9 18.331 2.901 2.667 75 HH22 ARG 9 2HH2 ARG 9 18.221 4.344 3.568 76 H GLY 10 H GLY 10 11.341 -0.460 -2.906 77 HA2 GLY 10 2HA GLY 10 11.658 -2.730 -3.158 78 HA3 GLY 10 1HA GLY 10 12.963 -2.656 -1.981 79 H VAL 11 H VAL 11 10.366 -1.109 -0.632 80 HA VAL 11 HA VAL 11 9.685 -3.528 0.878 81 HB VAL 11 HB VAL 11 9.445 -0.616 1.698 82 HG11 VAL 11 1HG1 VAL 11 8.966 -1.481 3.931 83 HG12 VAL 11 2HG1 VAL 11 9.062 -3.129 3.315 84 HG13 VAL 11 3HG1 VAL 11 7.784 -2.057 2.753 85 HG21 VAL 11 3HG2 VAL 11 11.784 -1.275 1.553 86 HG22 VAL 11 1HG2 VAL 11 11.473 -2.686 2.562 87 HG23 VAL 11 2HG2 VAL 11 11.313 -1.067 3.239 88 H CYS 12 H CYS 12 7.704 -4.287 0.427 89 HA CYS 12 HA CYS 12 5.828 -2.396 -0.662 90 HB2 CYS 12 2HB CYS 12 5.699 -5.385 -0.620 91 HB3 CYS 12 1HB CYS 12 4.474 -4.342 -1.317 92 H ARG 13 H ARG 13 4.311 -1.687 0.360 93 HA ARG 13 HA ARG 13 3.614 -2.816 2.995 94 HB2 ARG 13 2HB ARG 13 4.530 -0.508 3.113 95 HB3 ARG 13 1HB ARG 13 3.288 0.011 1.984 96 HG2 ARG 13 2HG ARG 13 2.589 0.739 4.091 97 HG3 ARG 13 1HG ARG 13 1.583 -0.623 3.634 98 HD2 ARG 13 2HD ARG 13 3.883 -0.635 5.618 99 HD3 ARG 13 1HD ARG 13 2.178 -0.727 6.009 100 HE ARG 13 HE ARG 13 3.852 -2.835 4.875 101 HH11 ARG 13 1HH1 ARG 13 0.642 -1.894 6.184 102 HH12 ARG 13 2HH1 ARG 13 0.171 -3.496 6.458 103 HH21 ARG 13 1HH2 ARG 13 3.104 -5.044 5.286 104 HH22 ARG 13 2HH2 ARG 13 1.575 -5.290 5.976 105 H ABA 14 H ABA 14 1.681 -3.742 3.110 106 HA ABA 14 HA ABA 14 -0.228 -3.384 0.993 107 HB3 ABA 14 1HB ABA 14 -0.469 -4.988 3.551 108 HB2 ABA 14 2HB ABA 14 0.153 -5.621 2.031 109 HG1 ABA 14 3HG ABA 14 -2.007 -5.277 0.972 110 HG3 ABA 14 1HG ABA 14 -2.632 -4.563 2.461 111 HG2 ABA 14 2HG ABA 14 -2.182 -6.261 2.428 112 H VAL 15 H VAL 15 -1.116 -1.468 1.046 113 HA VAL 15 HA VAL 15 -2.068 -0.354 3.560 114 HB VAL 15 HB VAL 15 -1.897 0.863 0.779 115 HG11 VAL 15 1HG1 VAL 15 -2.481 2.989 1.849 116 HG12 VAL 15 2HG1 VAL 15 -2.680 2.166 3.390 117 HG13 VAL 15 3HG1 VAL 15 -3.770 1.799 2.049 118 HG21 VAL 15 3HG2 VAL 15 -0.266 1.403 3.264 119 HG22 VAL 15 1HG2 VAL 15 -0.120 2.263 1.732 120 HG23 VAL 15 2HG2 VAL 15 0.290 0.548 1.824 121 H CYS 16 H CYS 16 -3.990 -1.153 4.057 122 HA CYS 16 HA CYS 16 -5.857 -1.563 1.888 123 HB2 CYS 16 2HB CYS 16 -6.127 -2.339 4.803 124 HB3 CYS 16 1HB CYS 16 -7.272 -2.751 3.529 125 H ARG 17 H ARG 17 -7.368 -0.235 1.432 126 HA ARG 17 HA ARG 17 -8.171 1.765 3.361 127 HB2 ARG 17 2HB ARG 17 -7.899 3.515 1.582 128 HB3 ARG 17 1HB ARG 17 -6.394 2.871 2.212 129 HG2 ARG 17 2HG ARG 17 -6.158 1.460 0.225 130 HG3 ARG 17 1HG ARG 17 -7.685 2.088 -0.401 131 HD2 ARG 17 2HD ARG 17 -5.205 3.703 0.180 132 HD3 ARG 17 1HD ARG 17 -5.780 3.218 -1.418 133 HE ARG 17 HE ARG 17 -7.894 4.447 -0.523 134 HH11 ARG 17 1HH1 ARG 17 -4.513 5.520 -0.414 135 HH12 ARG 17 2HH1 ARG 17 -4.892 7.174 -0.359 136 HH21 ARG 17 1HH2 ARG 17 -8.409 6.687 -0.470 137 HH22 ARG 17 2HH2 ARG 17 -7.182 7.870 -0.402 138 H ARG 18 H ARG 18 -10.269 2.080 3.292 139 HA ARG 18 HA ARG 18 -12.455 1.862 2.797 140 HB2 ARG 18 2HB ARG 18 -11.649 3.232 0.770 141 HB3 ARG 18 1HB ARG 18 -11.657 1.722 -0.123 142 HG2 ARG 18 2HG ARG 18 -14.104 1.532 0.491 143 HG3 ARG 18 1HG ARG 18 -13.991 3.207 1.046 144 HD2 ARG 18 2HD ARG 18 -14.794 3.228 -1.204 145 HD3 ARG 18 1HD ARG 18 -13.126 3.809 -1.211 146 HE ARG 18 HE ARG 18 -13.485 0.982 -1.675 147 HH11 ARG 18 1HH1 ARG 18 -13.047 4.161 -3.183 148 HH12 ARG 18 2HH1 ARG 18 -12.511 3.555 -4.669 149 HH21 ARG 18 1HH2 ARG 18 -12.769 0.136 -3.750 150 HH22 ARG 18 2HH2 ARG 18 -12.368 1.197 -5.008 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -10.665 -1.176 3.425 2 HA2 GLY 1 2HA GLY 1 -10.816 -3.510 3.419 3 HA3 GLY 1 1HA GLY 1 -12.352 -3.377 2.567 4 H VAL 2 H VAL 2 -10.326 -1.379 0.937 5 HA VAL 2 HA VAL 2 -9.723 -3.488 -0.996 6 HB VAL 2 HB VAL 2 -9.822 -0.474 -1.368 7 HG11 VAL 2 1HG1 VAL 2 -9.734 -0.947 -3.764 8 HG12 VAL 2 2HG1 VAL 2 -9.631 -2.667 -3.435 9 HG13 VAL 2 3HG1 VAL 2 -8.309 -1.599 -2.950 10 HG21 VAL 2 3HG2 VAL 2 -11.830 -2.574 -2.182 11 HG22 VAL 2 1HG2 VAL 2 -11.912 -0.865 -2.600 12 HG23 VAL 2 2HG2 VAL 2 -12.042 -1.374 -0.912 13 H CYS 3 H CYS 3 -7.695 -4.141 -0.922 14 HA CYS 3 HA CYS 3 -5.808 -2.390 0.373 15 HB2 CYS 3 2HB CYS 3 -5.586 -5.306 -0.250 16 HB3 CYS 3 1HB CYS 3 -4.384 -4.362 0.615 17 H ARG 4 H ARG 4 -4.290 -1.465 -0.467 18 HA ARG 4 HA ARG 4 -3.532 -1.913 -3.298 19 HB2 ARG 4 2HB ARG 4 -4.470 0.367 -2.649 20 HB3 ARG 4 1HB ARG 4 -3.105 0.502 -1.546 21 HG2 ARG 4 2HG ARG 4 -2.446 1.763 -3.326 22 HG3 ARG 4 1HG ARG 4 -1.633 0.212 -3.528 23 HD2 ARG 4 2HD ARG 4 -4.151 1.088 -4.957 24 HD3 ARG 4 1HD ARG 4 -2.544 1.144 -5.654 25 HE ARG 4 HE ARG 4 -2.713 -1.443 -5.164 26 HH11 ARG 4 1HH1 ARG 4 -5.177 0.715 -6.473 27 HH12 ARG 4 2HH1 ARG 4 -5.973 -0.493 -7.372 28 HH21 ARG 4 1HH2 ARG 4 -3.756 -3.086 -6.437 29 HH22 ARG 4 2HH2 ARG 4 -5.120 -2.709 -7.378 30 H ABA 5 H ABA 5 -1.533 -2.865 -3.489 31 HA ABA 5 HA ABA 5 0.328 -2.652 -1.247 32 HB3 ABA 5 1HB ABA 5 0.314 -4.573 -3.596 33 HB2 ABA 5 2HB ABA 5 -0.259 -4.953 -1.976 34 HG1 ABA 5 3HG ABA 5 1.955 -5.877 -2.357 35 HG3 ABA 5 1HG ABA 5 1.991 -4.646 -1.095 36 HG2 ABA 5 2HG ABA 5 2.573 -4.260 -2.712 37 H VAL 6 H VAL 6 1.664 -1.014 -1.460 38 HA VAL 6 HA VAL 6 2.724 -0.457 -4.123 39 HB VAL 6 HB VAL 6 3.299 1.831 -3.265 40 HG11 VAL 6 1HG1 VAL 6 1.014 2.744 -3.333 41 HG12 VAL 6 2HG1 VAL 6 0.374 1.116 -3.121 42 HG13 VAL 6 3HG1 VAL 6 1.283 1.525 -4.578 43 HG21 VAL 6 3HG2 VAL 6 3.347 1.372 -0.866 44 HG22 VAL 6 1HG2 VAL 6 1.616 1.037 -0.878 45 HG23 VAL 6 2HG2 VAL 6 2.199 2.666 -1.217 46 H CYS 7 H CYS 7 4.851 -0.766 -4.443 47 HA CYS 7 HA CYS 7 6.374 -1.442 -2.064 48 HB2 CYS 7 2HB CYS 7 7.045 -2.033 -4.954 49 HB3 CYS 7 1HB CYS 7 7.896 -2.631 -3.538 50 H ARG 8 H ARG 8 7.863 -0.270 -1.317 51 HA ARG 8 HA ARG 8 8.912 1.819 -3.015 52 HB2 ARG 8 2HB ARG 8 8.574 3.475 -1.160 53 HB3 ARG 8 1HB ARG 8 7.123 2.958 -1.995 54 HG2 ARG 8 2HG ARG 8 6.593 1.441 -0.141 55 HG3 ARG 8 1HG ARG 8 8.043 1.979 0.706 56 HD2 ARG 8 2HD ARG 8 6.001 3.108 1.509 57 HD3 ARG 8 1HD ARG 8 7.166 4.241 0.831 58 HE ARG 8 HE ARG 8 5.557 3.658 -1.268 59 HH11 ARG 8 1HH1 ARG 8 4.799 4.793 2.027 60 HH12 ARG 8 2HH1 ARG 8 3.485 5.743 1.498 61 HH21 ARG 8 1HH2 ARG 8 3.739 4.944 -1.915 62 HH22 ARG 8 2HH2 ARG 8 2.881 5.821 -0.742 63 H ARG 9 H ARG 9 10.936 1.747 -2.982 64 HA ARG 9 HA ARG 9 13.060 1.439 -2.474 65 HB2 ARG 9 2HB ARG 9 12.504 3.278 -0.853 66 HB3 ARG 9 1HB ARG 9 12.251 2.053 0.379 67 HG2 ARG 9 2HG ARG 9 14.567 1.428 0.303 68 HG3 ARG 9 1HG ARG 9 14.847 2.481 -1.078 69 HD2 ARG 9 2HD ARG 9 15.643 3.497 0.995 70 HD3 ARG 9 1HD ARG 9 14.325 4.425 0.280 71 HE ARG 9 HE ARG 9 13.294 2.609 2.148 72 HH11 ARG 9 1HH1 ARG 9 15.186 5.620 2.042 73 HH12 ARG 9 2HH1 ARG 9 14.652 6.138 3.584 74 HH21 ARG 9 1HH2 ARG 9 12.578 3.386 4.236 75 HH22 ARG 9 2HH2 ARG 9 13.173 4.882 4.819 76 H GLY 10 H GLY 10 11.410 -0.774 -2.590 77 HA2 GLY 10 2HA GLY 10 12.083 -2.987 -2.595 78 HA3 GLY 10 1HA GLY 10 13.168 -2.658 -1.251 79 H VAL 11 H VAL 11 10.387 -1.240 -0.283 80 HA VAL 11 HA VAL 11 9.630 -3.696 1.121 81 HB VAL 11 HB VAL 11 9.296 -0.813 2.021 82 HG11 VAL 11 1HG1 VAL 11 8.686 -3.375 3.502 83 HG12 VAL 11 2HG1 VAL 11 7.496 -2.252 2.851 84 HG13 VAL 11 3HG1 VAL 11 8.564 -1.743 4.164 85 HG21 VAL 11 3HG2 VAL 11 10.973 -1.344 3.717 86 HG22 VAL 11 1HG2 VAL 11 11.617 -1.565 2.089 87 HG23 VAL 11 2HG2 VAL 11 11.141 -2.968 3.047 88 H CYS 12 H CYS 12 7.805 -4.510 0.364 89 HA CYS 12 HA CYS 12 5.883 -2.750 -0.826 90 HB2 CYS 12 2HB CYS 12 5.728 -5.693 -0.368 91 HB3 CYS 12 1HB CYS 12 4.615 -4.751 -1.342 92 H ARG 13 H ARG 13 4.576 -1.772 0.089 93 HA ARG 13 HA ARG 13 3.668 -2.530 2.784 94 HB2 ARG 13 2HB ARG 13 4.951 -0.434 2.689 95 HB3 ARG 13 1HB ARG 13 3.873 0.181 1.459 96 HG2 ARG 13 2HG ARG 13 3.452 1.216 3.600 97 HG3 ARG 13 1HG ARG 13 2.060 0.289 3.055 98 HD2 ARG 13 2HD ARG 13 4.037 -1.004 4.883 99 HD3 ARG 13 1HD ARG 13 2.902 0.147 5.563 100 HE ARG 13 HE ARG 13 1.213 -1.388 4.309 101 HH11 ARG 13 1HH1 ARG 13 4.019 -2.418 6.242 102 HH12 ARG 13 2HH1 ARG 13 3.310 -3.881 6.711 103 HH21 ARG 13 1HH2 ARG 13 0.227 -3.403 5.037 104 HH22 ARG 13 2HH2 ARG 13 1.127 -4.457 6.008 105 H ABA 14 H ABA 14 1.701 -3.242 2.802 106 HA ABA 14 HA ABA 14 -0.166 -2.570 0.687 107 HB3 ABA 14 1HB ABA 14 -0.363 -4.557 2.962 108 HB2 ABA 14 2HB ABA 14 0.150 -4.952 1.330 109 HG1 ABA 14 3HG ABA 14 -2.153 -5.602 1.697 110 HG3 ABA 14 1HG ABA 14 -2.051 -4.326 0.483 111 HG2 ABA 14 2HG ABA 14 -2.569 -3.943 2.124 112 H VAL 15 H VAL 15 -1.427 -0.939 0.983 113 HA VAL 15 HA VAL 15 -2.264 -0.259 3.694 114 HB VAL 15 HB VAL 15 -2.754 2.039 2.840 115 HG11 VAL 15 1HG1 VAL 15 0.092 1.155 2.428 116 HG12 VAL 15 2HG1 VAL 15 -0.649 1.628 3.959 117 HG13 VAL 15 3HG1 VAL 15 -0.434 2.821 2.677 118 HG21 VAL 15 3HG2 VAL 15 -3.061 1.562 0.461 119 HG22 VAL 15 1HG2 VAL 15 -1.360 1.118 0.314 120 HG23 VAL 15 2HG2 VAL 15 -1.808 2.781 0.683 121 H CYS 16 H CYS 16 -4.407 -0.357 4.107 122 HA CYS 16 HA CYS 16 -5.998 -1.116 1.804 123 HB2 CYS 16 2HB CYS 16 -6.387 -1.966 4.682 124 HB3 CYS 16 1HB CYS 16 -7.403 -2.462 3.326 125 H ARG 17 H ARG 17 -7.783 -0.049 1.337 126 HA ARG 17 HA ARG 17 -8.654 2.020 3.221 127 HB2 ARG 17 2HB ARG 17 -8.429 2.295 0.212 128 HB3 ARG 17 1HB ARG 17 -9.024 3.517 1.322 129 HG2 ARG 17 2HG ARG 17 -6.808 3.675 2.346 130 HG3 ARG 17 1HG ARG 17 -6.209 2.442 1.236 131 HD2 ARG 17 2HD ARG 17 -7.314 5.142 0.471 132 HD3 ARG 17 1HD ARG 17 -5.610 4.693 0.478 133 HE ARG 17 HE ARG 17 -7.069 2.917 -1.154 134 HH11 ARG 17 1HH1 ARG 17 -5.899 6.261 -1.171 135 HH12 ARG 17 2HH1 ARG 17 -5.832 6.387 -2.866 136 HH21 ARG 17 1HH2 ARG 17 -7.003 3.076 -3.446 137 HH22 ARG 17 2HH2 ARG 17 -6.502 4.512 -4.214 138 H ARG 18 H ARG 18 -10.544 1.340 3.857 139 HA ARG 18 HA ARG 18 -12.696 0.717 3.922 140 HB2 ARG 18 2HB ARG 18 -12.877 2.599 2.227 141 HB3 ARG 18 1HB ARG 18 -12.761 1.405 0.960 142 HG2 ARG 18 2HG ARG 18 -15.060 2.153 1.304 143 HG3 ARG 18 1HG ARG 18 -14.887 0.435 1.651 144 HD2 ARG 18 2HD ARG 18 -14.940 0.823 4.006 145 HD3 ARG 18 1HD ARG 18 -14.803 2.564 3.788 146 HE ARG 18 HE ARG 18 -17.022 2.342 2.617 147 HH11 ARG 18 1HH1 ARG 18 -16.129 0.132 5.263 148 HH12 ARG 18 2HH1 ARG 18 -17.718 -0.050 5.827 149 HH21 ARG 18 1HH2 ARG 18 -19.238 2.062 3.435 150 HH22 ARG 18 2HH2 ARG 18 -19.496 1.048 4.775 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -11.675 -1.265 2.913 2 HA2 GLY 1 2HA GLY 1 -12.133 -3.541 2.542 3 HA3 GLY 1 1HA GLY 1 -13.333 -3.072 1.348 4 H VAL 2 H VAL 2 -10.448 -1.432 0.742 5 HA VAL 2 HA VAL 2 -9.698 -3.464 -1.241 6 HB VAL 2 HB VAL 2 -9.661 -0.446 -1.590 7 HG11 VAL 2 1HG1 VAL 2 -8.999 -0.904 -3.919 8 HG12 VAL 2 2HG1 VAL 2 -8.864 -2.621 -3.524 9 HG13 VAL 2 3HG1 VAL 2 -7.788 -1.457 -2.760 10 HG21 VAL 2 3HG2 VAL 2 -11.370 -2.533 -2.932 11 HG22 VAL 2 1HG2 VAL 2 -11.349 -0.817 -3.337 12 HG23 VAL 2 2HG2 VAL 2 -11.913 -1.345 -1.748 13 H CYS 3 H CYS 3 -7.659 -4.096 -1.102 14 HA CYS 3 HA CYS 3 -5.895 -2.503 0.530 15 HB2 CYS 3 2HB CYS 3 -5.587 -5.306 -0.490 16 HB3 CYS 3 1HB CYS 3 -4.364 -4.461 0.438 17 H ARG 4 H ARG 4 -4.369 -1.435 -0.181 18 HA ARG 4 HA ARG 4 -3.598 -1.656 -3.021 19 HB2 ARG 4 2HB ARG 4 -4.727 0.479 -2.415 20 HB3 ARG 4 1HB ARG 4 -3.525 0.743 -1.167 21 HG2 ARG 4 2HG ARG 4 -3.107 2.136 -3.087 22 HG3 ARG 4 1HG ARG 4 -1.803 0.973 -2.849 23 HD2 ARG 4 2HD ARG 4 -2.675 -0.422 -4.625 24 HD3 ARG 4 1HD ARG 4 -4.074 0.635 -4.813 25 HE ARG 4 HE ARG 4 -2.528 2.370 -5.523 26 HH11 ARG 4 1HH1 ARG 4 -1.422 -1.008 -5.798 27 HH12 ARG 4 2HH1 ARG 4 -0.282 -0.635 -7.013 28 HH21 ARG 4 1HH2 ARG 4 -0.947 2.797 -7.225 29 HH22 ARG 4 2HH2 ARG 4 -0.017 1.500 -7.824 30 H ABA 5 H ABA 5 -1.610 -2.474 -3.254 31 HA ABA 5 HA ABA 5 0.244 -2.193 -1.006 32 HB3 ABA 5 1HB ABA 5 0.142 -4.349 -3.133 33 HB2 ABA 5 2HB ABA 5 -0.392 -4.528 -1.465 34 HG1 ABA 5 3HG ABA 5 2.435 -4.012 -2.360 35 HG3 ABA 5 1HG ABA 5 1.785 -5.550 -1.793 36 HG2 ABA 5 2HG ABA 5 1.899 -4.180 -0.690 37 H VAL 6 H VAL 6 1.746 -0.790 -1.358 38 HA VAL 6 HA VAL 6 2.714 -0.421 -4.085 39 HB VAL 6 HB VAL 6 3.344 1.909 -3.422 40 HG11 VAL 6 1HG1 VAL 6 1.294 1.522 -4.669 41 HG12 VAL 6 2HG1 VAL 6 1.078 2.860 -3.536 42 HG13 VAL 6 3HG1 VAL 6 0.411 1.272 -3.163 43 HG21 VAL 6 3HG2 VAL 6 2.306 2.929 -1.427 44 HG22 VAL 6 1HG2 VAL 6 3.434 1.644 -0.992 45 HG23 VAL 6 2HG2 VAL 6 1.692 1.347 -0.951 46 H CYS 7 H CYS 7 4.852 -0.672 -4.378 47 HA CYS 7 HA CYS 7 6.355 -1.226 -1.947 48 HB2 CYS 7 2HB CYS 7 6.955 -2.247 -4.736 49 HB3 CYS 7 1HB CYS 7 7.794 -2.688 -3.254 50 H ARG 8 H ARG 8 8.275 -0.294 -1.580 51 HA ARG 8 HA ARG 8 9.416 1.463 -3.554 52 HB2 ARG 8 2HB ARG 8 9.331 3.436 -2.059 53 HB3 ARG 8 1HB ARG 8 7.745 2.946 -2.634 54 HG2 ARG 8 2HG ARG 8 7.351 1.841 -0.463 55 HG3 ARG 8 1HG ARG 8 8.915 2.430 0.093 56 HD2 ARG 8 2HD ARG 8 6.598 4.122 -0.819 57 HD3 ARG 8 1HD ARG 8 7.083 3.856 0.851 58 HE ARG 8 HE ARG 8 9.087 4.998 -0.922 59 HH11 ARG 8 1HH1 ARG 8 6.628 5.593 1.575 60 HH12 ARG 8 2HH1 ARG 8 7.238 7.121 1.986 61 HH21 ARG 8 1HH2 ARG 8 9.875 7.124 -0.387 62 HH22 ARG 8 2HH2 ARG 8 9.123 8.029 0.838 63 H ARG 9 H ARG 9 11.535 1.647 -3.306 64 HA ARG 9 HA ARG 9 13.631 1.193 -2.631 65 HB2 ARG 9 2HB ARG 9 12.895 2.783 -0.761 66 HB3 ARG 9 1HB ARG 9 12.580 1.359 0.212 67 HG2 ARG 9 2HG ARG 9 14.987 0.746 -0.042 68 HG3 ARG 9 1HG ARG 9 15.237 2.299 -0.843 69 HD2 ARG 9 2HD ARG 9 15.830 2.539 1.444 70 HD3 ARG 9 1HD ARG 9 14.324 3.413 1.176 71 HE ARG 9 HE ARG 9 14.200 0.684 2.199 72 HH11 ARG 9 1HH1 ARG 9 13.664 4.151 2.776 73 HH12 ARG 9 2HH1 ARG 9 13.003 3.957 4.310 74 HH21 ARG 9 1HH2 ARG 9 13.228 0.403 4.350 75 HH22 ARG 9 2HH2 ARG 9 12.707 1.774 5.205 76 H GLY 10 H GLY 10 11.693 -0.883 -3.007 77 HA2 GLY 10 2HA GLY 10 11.968 -3.207 -3.136 78 HA3 GLY 10 1HA GLY 10 13.264 -3.080 -1.965 79 H VAL 11 H VAL 11 10.792 -1.352 -0.646 80 HA VAL 11 HA VAL 11 10.050 -3.626 1.043 81 HB VAL 11 HB VAL 11 9.890 -0.648 1.622 82 HG11 VAL 11 1HG1 VAL 11 9.479 -1.314 3.944 83 HG12 VAL 11 2HG1 VAL 11 9.481 -3.007 3.451 84 HG13 VAL 11 3HG1 VAL 11 8.221 -1.917 2.862 85 HG21 VAL 11 3HG2 VAL 11 11.877 -2.691 2.606 86 HG22 VAL 11 1HG2 VAL 11 11.772 -1.018 3.152 87 HG23 VAL 11 2HG2 VAL 11 12.202 -1.377 1.477 88 H CYS 12 H CYS 12 7.965 -4.292 0.929 89 HA CYS 12 HA CYS 12 6.217 -2.578 -0.569 90 HB2 CYS 12 2HB CYS 12 5.893 -5.469 0.154 91 HB3 CYS 12 1HB CYS 12 4.706 -4.534 -0.743 92 H ARG 13 H ARG 13 4.544 -1.639 0.140 93 HA ARG 13 HA ARG 13 3.873 -1.924 2.982 94 HB2 ARG 13 2HB ARG 13 4.916 0.231 2.401 95 HB3 ARG 13 1HB ARG 13 3.686 0.510 1.188 96 HG2 ARG 13 2HG ARG 13 3.306 1.802 3.206 97 HG3 ARG 13 1HG ARG 13 1.987 0.671 2.882 98 HD2 ARG 13 2HD ARG 13 2.632 0.730 5.275 99 HD3 ARG 13 1HD ARG 13 2.828 -0.856 4.536 100 HE ARG 13 HE ARG 13 5.213 0.715 4.459 101 HH11 ARG 13 1HH1 ARG 13 3.345 -1.537 6.445 102 HH12 ARG 13 2HH1 ARG 13 4.658 -2.011 7.406 103 HH21 ARG 13 1HH2 ARG 13 6.983 0.113 5.729 104 HH22 ARG 13 2HH2 ARG 13 6.813 -1.021 7.006 105 H ABA 14 H ABA 14 1.852 -2.573 3.419 106 HA ABA 14 HA ABA 14 -0.078 -2.615 1.229 107 HB3 ABA 14 1HB ABA 14 -0.032 -4.207 3.804 108 HB2 ABA 14 2HB ABA 14 0.511 -4.803 2.239 109 HG1 ABA 14 3HG ABA 14 -2.298 -3.983 2.923 110 HG3 ABA 14 1HG ABA 14 -1.703 -5.635 2.763 111 HG2 ABA 14 2HG ABA 14 -1.748 -4.574 1.357 112 H VAL 15 H VAL 15 -1.494 -1.055 1.287 113 HA VAL 15 HA VAL 15 -2.353 0.068 3.858 114 HB VAL 15 HB VAL 15 -2.379 1.323 1.084 115 HG11 VAL 15 1HG1 VAL 15 -4.228 2.129 2.444 116 HG12 VAL 15 2HG1 VAL 15 -3.017 3.398 2.227 117 HG13 VAL 15 3HG1 VAL 15 -3.107 2.517 3.751 118 HG21 VAL 15 3HG2 VAL 15 -0.654 2.849 1.985 119 HG22 VAL 15 1HG2 VAL 15 -0.118 1.166 1.953 120 HG23 VAL 15 2HG2 VAL 15 -0.623 1.904 3.471 121 H CYS 16 H CYS 16 -4.266 -0.877 4.364 122 HA CYS 16 HA CYS 16 -6.046 -1.486 2.139 123 HB2 CYS 16 2HB CYS 16 -6.037 -2.707 4.914 124 HB3 CYS 16 1HB CYS 16 -7.210 -3.078 3.658 125 H ARG 17 H ARG 17 -8.001 -0.550 1.999 126 HA ARG 17 HA ARG 17 -9.324 0.546 4.248 127 HB2 ARG 17 2HB ARG 17 -9.331 2.918 3.438 128 HB3 ARG 17 1HB ARG 17 -7.806 2.368 4.102 129 HG2 ARG 17 2HG ARG 17 -6.892 2.108 1.874 130 HG3 ARG 17 1HG ARG 17 -8.441 2.593 1.169 131 HD2 ARG 17 2HD ARG 17 -6.779 4.423 1.250 132 HD3 ARG 17 1HD ARG 17 -8.257 4.776 2.138 133 HE ARG 17 HE ARG 17 -6.234 3.633 3.800 134 HH11 ARG 17 1HH1 ARG 17 -7.233 6.676 2.311 135 HH12 ARG 17 2HH1 ARG 17 -6.635 7.651 3.564 136 HH21 ARG 17 1HH2 ARG 17 -5.413 4.957 5.519 137 HH22 ARG 17 2HH2 ARG 17 -5.569 6.650 5.428 138 H ARG 18 H ARG 18 -11.388 1.061 3.851 139 HA ARG 18 HA ARG 18 -13.415 1.007 2.914 140 HB2 ARG 18 2HB ARG 18 -12.273 2.831 1.506 141 HB3 ARG 18 1HB ARG 18 -12.103 1.620 0.254 142 HG2 ARG 18 2HG ARG 18 -14.577 1.371 0.237 143 HG3 ARG 18 1HG ARG 18 -14.676 2.700 1.394 144 HD2 ARG 18 2HD ARG 18 -15.022 3.639 -0.768 145 HD3 ARG 18 1HD ARG 18 -13.398 4.090 -0.255 146 HE ARG 18 HE ARG 18 -13.810 1.754 -1.935 147 HH11 ARG 18 1HH1 ARG 18 -12.348 4.954 -1.495 148 HH12 ARG 18 2HH1 ARG 18 -11.515 4.962 -2.962 149 HH21 ARG 18 1HH2 ARG 18 -12.673 1.746 -4.013 150 HH22 ARG 18 2HH2 ARG 18 -11.720 3.074 -4.451 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -10.943 -1.186 2.997 2 HA2 GLY 1 2HA GLY 1 -11.202 -3.472 2.641 3 HA3 GLY 1 1HA GLY 1 -12.552 -3.115 1.572 4 H VAL 2 H VAL 2 -10.073 -1.180 0.589 5 HA VAL 2 HA VAL 2 -9.345 -3.097 -1.492 6 HB VAL 2 HB VAL 2 -9.039 -0.076 -1.480 7 HG11 VAL 2 1HG1 VAL 2 -8.623 -0.310 -3.890 8 HG12 VAL 2 2HG1 VAL 2 -8.698 -2.063 -3.726 9 HG13 VAL 2 3HG1 VAL 2 -7.415 -1.161 -2.924 10 HG21 VAL 2 3HG2 VAL 2 -11.133 -1.773 -2.846 11 HG22 VAL 2 1HG2 VAL 2 -10.913 -0.039 -3.087 12 HG23 VAL 2 2HG2 VAL 2 -11.397 -0.661 -1.507 13 H CYS 3 H CYS 3 -7.546 -4.086 -0.914 14 HA CYS 3 HA CYS 3 -5.546 -2.644 0.569 15 HB2 CYS 3 2HB CYS 3 -5.651 -5.514 -0.253 16 HB3 CYS 3 1HB CYS 3 -4.402 -4.803 0.752 17 H ARG 4 H ARG 4 -4.055 -1.736 -0.225 18 HA ARG 4 HA ARG 4 -3.161 -2.442 -2.954 19 HB2 ARG 4 2HB ARG 4 -4.300 -0.243 -2.848 20 HB3 ARG 4 1HB ARG 4 -3.108 0.297 -1.680 21 HG2 ARG 4 2HG ARG 4 -2.622 1.168 -3.866 22 HG3 ARG 4 1HG ARG 4 -1.347 0.079 -3.324 23 HD2 ARG 4 2HD ARG 4 -1.897 -0.313 -5.686 24 HD3 ARG 4 1HD ARG 4 -2.270 -1.722 -4.703 25 HE ARG 4 HE ARG 4 -4.320 0.226 -5.490 26 HH11 ARG 4 1HH1 ARG 4 -3.202 -3.140 -5.345 27 HH12 ARG 4 2HH1 ARG 4 -4.617 -3.809 -5.971 28 HH21 ARG 4 1HH2 ARG 4 -6.319 -0.729 -6.365 29 HH22 ARG 4 2HH2 ARG 4 -6.417 -2.417 -6.559 30 H ABA 5 H ABA 5 -1.123 -3.109 -3.114 31 HA ABA 5 HA ABA 5 0.652 -2.846 -0.832 32 HB3 ABA 5 1HB ABA 5 2.072 -4.454 -2.059 33 HB2 ABA 5 2HB ABA 5 0.952 -4.405 -3.413 34 HG1 ABA 5 3HG ABA 5 -0.805 -5.331 -1.976 35 HG3 ABA 5 1HG ABA 5 0.349 -5.424 -0.646 36 HG2 ABA 5 2HG ABA 5 0.593 -6.399 -2.097 37 H VAL 6 H VAL 6 1.282 -0.750 -0.911 38 HA VAL 6 HA VAL 6 2.361 0.409 -3.334 39 HB VAL 6 HB VAL 6 2.359 1.514 -0.499 40 HG11 VAL 6 1HG1 VAL 6 2.733 3.696 -1.564 41 HG12 VAL 6 2HG1 VAL 6 2.829 2.902 -3.139 42 HG13 VAL 6 3HG1 VAL 6 4.042 2.564 -1.906 43 HG21 VAL 6 3HG2 VAL 6 0.076 1.155 -1.282 44 HG22 VAL 6 1HG2 VAL 6 0.433 2.044 -2.764 45 HG23 VAL 6 2HG2 VAL 6 0.438 2.881 -1.211 46 H CYS 7 H CYS 7 4.283 -0.343 -3.928 47 HA CYS 7 HA CYS 7 6.161 -1.055 -1.846 48 HB2 CYS 7 2HB CYS 7 6.377 -1.613 -4.807 49 HB3 CYS 7 1HB CYS 7 7.396 -2.273 -3.540 50 H ARG 8 H ARG 8 7.710 0.101 -1.322 51 HA ARG 8 HA ARG 8 8.873 2.007 -3.224 52 HB2 ARG 8 2HB ARG 8 7.997 2.575 -0.402 53 HB3 ARG 8 1HB ARG 8 9.216 3.545 -1.212 54 HG2 ARG 8 2HG ARG 8 7.601 4.161 -2.922 55 HG3 ARG 8 1HG ARG 8 6.402 3.120 -2.135 56 HD2 ARG 8 2HD ARG 8 6.287 4.488 -0.236 57 HD3 ARG 8 1HD ARG 8 7.774 5.336 -0.648 58 HE ARG 8 HE ARG 8 6.399 6.150 -2.626 59 HH11 ARG 8 1HH1 ARG 8 4.914 5.468 0.511 60 HH12 ARG 8 2HH1 ARG 8 3.893 6.820 0.508 61 HH21 ARG 8 1HH2 ARG 8 5.018 8.071 -2.615 62 HH22 ARG 8 2HH2 ARG 8 3.963 8.352 -1.302 63 H ARG 9 H ARG 9 10.936 1.600 -3.429 64 HA ARG 9 HA ARG 9 13.063 0.977 -3.067 65 HB2 ARG 9 2HB ARG 9 12.951 2.698 -1.266 66 HB3 ARG 9 1HB ARG 9 12.393 1.473 -0.143 67 HG2 ARG 9 2HG ARG 9 14.549 0.348 -0.294 68 HG3 ARG 9 1HG ARG 9 15.105 1.547 -1.465 69 HD2 ARG 9 2HD ARG 9 14.845 3.295 0.176 70 HD3 ARG 9 1HD ARG 9 14.213 2.142 1.348 71 HE ARG 9 HE ARG 9 16.444 1.030 1.123 72 HH11 ARG 9 1HH1 ARG 9 16.100 4.508 0.536 73 HH12 ARG 9 2HH1 ARG 9 17.660 4.904 1.062 74 HH21 ARG 9 1HH2 ARG 9 18.599 1.578 1.900 75 HH22 ARG 9 2HH2 ARG 9 19.107 3.193 1.863 76 H GLY 10 H GLY 10 10.998 -0.934 -3.191 77 HA2 GLY 10 2HA GLY 10 10.958 -3.243 -3.249 78 HA3 GLY 10 1HA GLY 10 12.464 -3.258 -2.339 79 H VAL 11 H VAL 11 10.200 -1.291 -0.844 80 HA VAL 11 HA VAL 11 9.535 -3.442 1.026 81 HB VAL 11 HB VAL 11 9.522 -0.436 1.480 82 HG11 VAL 11 1HG1 VAL 11 9.085 -2.697 3.430 83 HG12 VAL 11 2HG1 VAL 11 7.865 -1.561 2.859 84 HG13 VAL 11 3HG1 VAL 11 9.201 -0.991 3.856 85 HG21 VAL 11 3HG2 VAL 11 11.463 -0.822 2.937 86 HG22 VAL 11 1HG2 VAL 11 11.803 -1.276 1.266 87 HG23 VAL 11 2HG2 VAL 11 11.468 -2.522 2.471 88 H CYS 12 H CYS 12 7.605 -4.205 0.524 89 HA CYS 12 HA CYS 12 5.694 -2.407 -0.648 90 HB2 CYS 12 2HB CYS 12 5.549 -5.346 -0.206 91 HB3 CYS 12 1HB CYS 12 4.334 -4.400 -1.029 92 H ARG 13 H ARG 13 4.427 -1.425 0.442 93 HA ARG 13 HA ARG 13 3.634 -2.521 3.050 94 HB2 ARG 13 2HB ARG 13 4.627 -0.257 3.210 95 HB3 ARG 13 1HB ARG 13 3.402 0.350 2.099 96 HG2 ARG 13 2HG ARG 13 2.829 0.946 4.358 97 HG3 ARG 13 1HG ARG 13 1.666 -0.209 3.699 98 HD2 ARG 13 2HD ARG 13 3.155 -2.004 4.840 99 HD3 ARG 13 1HD ARG 13 3.801 -0.645 5.758 100 HE ARG 13 HE ARG 13 1.235 -0.291 6.135 101 HH11 ARG 13 1HH1 ARG 13 3.207 -3.235 6.368 102 HH12 ARG 13 2HH1 ARG 13 2.115 -4.083 7.339 103 HH21 ARG 13 1HH2 ARG 13 -0.299 -1.466 7.474 104 HH22 ARG 13 2HH2 ARG 13 0.046 -3.059 7.965 105 H ABA 14 H ABA 14 1.682 -3.396 3.179 106 HA ABA 14 HA ABA 14 -0.204 -2.899 1.035 107 HB3 ABA 14 1HB ABA 14 -0.306 -4.914 3.296 108 HB2 ABA 14 2HB ABA 14 0.320 -5.242 1.686 109 HG1 ABA 14 3HG ABA 14 -1.937 -6.110 1.939 110 HG3 ABA 14 1HG ABA 14 -1.890 -4.824 0.734 111 HG2 ABA 14 2HG ABA 14 -2.520 -4.496 2.346 112 H VAL 15 H VAL 15 -1.135 -1.014 1.424 113 HA VAL 15 HA VAL 15 -2.310 -0.588 4.052 114 HB VAL 15 HB VAL 15 -2.844 1.739 3.262 115 HG11 VAL 15 1HG1 VAL 15 -0.804 1.319 4.522 116 HG12 VAL 15 2HG1 VAL 15 -0.557 2.597 3.333 117 HG13 VAL 15 3HG1 VAL 15 0.062 0.980 3.022 118 HG21 VAL 15 3HG2 VAL 15 -1.214 0.978 0.823 119 HG22 VAL 15 1HG2 VAL 15 -1.780 2.603 1.212 120 HG23 VAL 15 2HG2 VAL 15 -2.941 1.330 0.843 121 H CYS 16 H CYS 16 -4.373 -1.041 4.391 122 HA CYS 16 HA CYS 16 -5.923 -1.481 2.008 123 HB2 CYS 16 2HB CYS 16 -6.465 -2.421 4.837 124 HB3 CYS 16 1HB CYS 16 -7.461 -2.803 3.440 125 H ARG 17 H ARG 17 -7.496 -0.227 1.467 126 HA ARG 17 HA ARG 17 -8.457 1.792 3.386 127 HB2 ARG 17 2HB ARG 17 -7.684 2.234 0.495 128 HB3 ARG 17 1HB ARG 17 -8.373 3.444 1.563 129 HG2 ARG 17 2HG ARG 17 -6.379 3.384 2.951 130 HG3 ARG 17 1HG ARG 17 -5.703 2.104 1.945 131 HD2 ARG 17 2HD ARG 17 -4.757 4.272 1.350 132 HD3 ARG 17 1HD ARG 17 -5.699 3.603 0.020 133 HE ARG 17 HE ARG 17 -7.266 5.296 1.656 134 HH11 ARG 17 1HH1 ARG 17 -4.818 5.377 -0.873 135 HH12 ARG 17 2HH1 ARG 17 -5.219 6.898 -1.475 136 HH21 ARG 17 1HH2 ARG 17 -7.893 7.422 0.832 137 HH22 ARG 17 2HH2 ARG 17 -7.043 8.104 -0.463 138 H ARG 18 H ARG 18 -10.562 1.292 3.600 139 HA ARG 18 HA ARG 18 -12.754 0.933 3.132 140 HB2 ARG 18 2HB ARG 18 -12.431 2.935 1.711 141 HB3 ARG 18 1HB ARG 18 -11.930 1.920 0.379 142 HG2 ARG 18 2HG ARG 18 -14.201 1.041 0.203 143 HG3 ARG 18 1HG ARG 18 -14.688 2.022 1.595 144 HD2 ARG 18 2HD ARG 18 -14.161 4.038 0.434 145 HD3 ARG 18 1HD ARG 18 -13.494 3.145 -0.930 146 HE ARG 18 HE ARG 18 -16.111 2.345 -0.664 147 HH11 ARG 18 1HH1 ARG 18 -14.508 5.469 -1.133 148 HH12 ARG 18 2HH1 ARG 18 -15.650 6.065 -2.242 149 HH21 ARG 18 1HH2 ARG 18 -17.720 3.182 -2.188 150 HH22 ARG 18 2HH2 ARG 18 -17.529 4.740 -2.828 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.934 -1.868 3.417 2 HA2 GLY 1 2HA GLY 1 -10.547 -4.172 3.224 3 HA3 GLY 1 1HA GLY 1 -12.112 -4.345 2.450 4 H VAL 2 H VAL 2 -10.501 -1.854 0.953 5 HA VAL 2 HA VAL 2 -9.612 -3.619 -1.214 6 HB VAL 2 HB VAL 2 -10.025 -0.607 -1.232 7 HG11 VAL 2 1HG1 VAL 2 -8.421 -1.360 -2.903 8 HG12 VAL 2 2HG1 VAL 2 -9.908 -0.814 -3.676 9 HG13 VAL 2 3HG1 VAL 2 -9.582 -2.539 -3.507 10 HG21 VAL 2 3HG2 VAL 2 -12.073 -1.024 -2.488 11 HG22 VAL 2 1HG2 VAL 2 -12.140 -1.768 -0.894 12 HG23 VAL 2 2HG2 VAL 2 -11.828 -2.766 -2.314 13 H CYS 3 H CYS 3 -7.468 -3.914 -1.362 14 HA CYS 3 HA CYS 3 -5.913 -2.096 0.246 15 HB2 CYS 3 2HB CYS 3 -5.293 -4.925 -0.532 16 HB3 CYS 3 1HB CYS 3 -4.242 -3.882 0.418 17 H ARG 4 H ARG 4 -4.328 -1.011 -0.469 18 HA ARG 4 HA ARG 4 -3.484 -1.411 -3.263 19 HB2 ARG 4 2HB ARG 4 -4.580 0.728 -3.051 20 HB3 ARG 4 1HB ARG 4 -3.674 1.127 -1.613 21 HG2 ARG 4 2HG ARG 4 -2.981 2.382 -3.581 22 HG3 ARG 4 1HG ARG 4 -1.670 1.447 -2.873 23 HD2 ARG 4 2HD ARG 4 -1.689 1.375 -5.348 24 HD3 ARG 4 1HD ARG 4 -1.836 -0.212 -4.608 25 HE ARG 4 HE ARG 4 -4.359 0.245 -5.035 26 HH11 ARG 4 1HH1 ARG 4 -1.780 1.334 -7.213 27 HH12 ARG 4 2HH1 ARG 4 -2.611 0.901 -8.622 28 HH21 ARG 4 1HH2 ARG 4 -5.492 -0.330 -6.965 29 HH22 ARG 4 2HH2 ARG 4 -4.735 -0.091 -8.495 30 H ABA 5 H ABA 5 -1.504 -2.161 -3.476 31 HA ABA 5 HA ABA 5 0.336 -1.899 -1.205 32 HB3 ABA 5 1HB ABA 5 0.290 -3.968 -3.413 33 HB2 ABA 5 2HB ABA 5 -0.307 -4.217 -1.779 34 HG1 ABA 5 3HG ABA 5 2.552 -3.655 -2.531 35 HG3 ABA 5 1HG ABA 5 1.884 -5.221 -2.066 36 HG2 ABA 5 2HG ABA 5 1.943 -3.901 -0.896 37 H VAL 6 H VAL 6 1.866 -0.485 -1.450 38 HA VAL 6 HA VAL 6 2.976 -0.107 -4.119 39 HB VAL 6 HB VAL 6 3.676 2.181 -3.376 40 HG11 VAL 6 1HG1 VAL 6 1.467 3.241 -3.596 41 HG12 VAL 6 2HG1 VAL 6 0.705 1.678 -3.294 42 HG13 VAL 6 3HG1 VAL 6 1.682 1.912 -4.740 43 HG21 VAL 6 3HG2 VAL 6 2.568 3.211 -1.416 44 HG22 VAL 6 1HG2 VAL 6 3.624 1.874 -0.956 45 HG23 VAL 6 2HG2 VAL 6 1.878 1.640 -1.003 46 H CYS 7 H CYS 7 5.140 -0.394 -4.301 47 HA CYS 7 HA CYS 7 6.456 -1.136 -1.816 48 HB2 CYS 7 2HB CYS 7 7.108 -2.102 -4.607 49 HB3 CYS 7 1HB CYS 7 7.855 -2.651 -3.110 50 H ARG 8 H ARG 8 8.291 -0.246 -1.257 51 HA ARG 8 HA ARG 8 9.506 1.668 -3.120 52 HB2 ARG 8 2HB ARG 8 8.943 2.165 -0.195 53 HB3 ARG 8 1HB ARG 8 9.791 3.257 -1.274 54 HG2 ARG 8 2HG ARG 8 7.733 3.523 -2.587 55 HG3 ARG 8 1HG ARG 8 6.903 2.446 -1.463 56 HD2 ARG 8 2HD ARG 8 8.163 5.105 -0.795 57 HD3 ARG 8 1HD ARG 8 6.438 4.748 -0.895 58 HE ARG 8 HE ARG 8 7.817 3.080 0.972 59 HH11 ARG 8 1HH1 ARG 8 6.248 6.228 0.596 60 HH12 ARG 8 2HH1 ARG 8 5.963 6.444 2.258 61 HH21 ARG 8 1HH2 ARG 8 7.455 3.356 3.189 62 HH22 ARG 8 2HH2 ARG 8 6.665 4.743 3.809 63 H ARG 9 H ARG 9 11.478 1.006 -3.387 64 HA ARG 9 HA ARG 9 13.561 0.205 -3.084 65 HB2 ARG 9 2HB ARG 9 13.560 2.092 -1.372 66 HB3 ARG 9 1HB ARG 9 13.210 0.884 -0.147 67 HG2 ARG 9 2HG ARG 9 15.334 -0.266 -0.787 68 HG3 ARG 9 1HG ARG 9 15.690 1.107 -1.835 69 HD2 ARG 9 2HD ARG 9 15.532 2.592 0.132 70 HD3 ARG 9 1HD ARG 9 15.284 1.176 1.145 71 HE ARG 9 HE ARG 9 17.684 1.445 -0.505 72 HH11 ARG 9 1HH1 ARG 9 16.234 0.942 2.706 73 HH12 ARG 9 2HH1 ARG 9 17.743 0.721 3.473 74 HH21 ARG 9 1HH2 ARG 9 19.713 1.189 0.592 75 HH22 ARG 9 2HH2 ARG 9 19.739 0.870 2.275 76 H GLY 10 H GLY 10 11.382 -1.582 -2.940 77 HA2 GLY 10 2HA GLY 10 11.382 -3.913 -2.838 78 HA3 GLY 10 1HA GLY 10 12.787 -3.842 -1.783 79 H VAL 11 H VAL 11 10.680 -1.688 -0.477 80 HA VAL 11 HA VAL 11 9.700 -3.733 1.356 81 HB VAL 11 HB VAL 11 9.860 -0.727 1.757 82 HG11 VAL 11 1HG1 VAL 11 9.433 -1.247 4.126 83 HG12 VAL 11 2HG1 VAL 11 9.272 -2.951 3.715 84 HG13 VAL 11 3HG1 VAL 11 8.107 -1.781 3.094 85 HG21 VAL 11 3HG2 VAL 11 11.673 -2.895 2.832 86 HG22 VAL 11 1HG2 VAL 11 11.747 -1.190 3.270 87 HG23 VAL 11 2HG2 VAL 11 12.107 -1.696 1.619 88 H CYS 12 H CYS 12 7.660 -4.311 0.970 89 HA CYS 12 HA CYS 12 6.050 -2.458 -0.498 90 HB2 CYS 12 2HB CYS 12 5.570 -5.329 0.178 91 HB3 CYS 12 1HB CYS 12 4.479 -4.341 -0.777 92 H ARG 13 H ARG 13 4.552 -1.374 0.247 93 HA ARG 13 HA ARG 13 3.544 -1.877 2.968 94 HB2 ARG 13 2HB ARG 13 4.907 0.141 2.907 95 HB3 ARG 13 1HB ARG 13 4.046 0.726 1.500 96 HG2 ARG 13 2HG ARG 13 3.434 1.954 3.490 97 HG3 ARG 13 1HG ARG 13 2.057 1.081 2.828 98 HD2 ARG 13 2HD ARG 13 2.181 -0.569 4.561 99 HD3 ARG 13 1HD ARG 13 3.730 0.055 5.129 100 HE ARG 13 HE ARG 13 2.615 2.008 5.910 101 HH11 ARG 13 1HH1 ARG 13 0.347 -0.618 5.025 102 HH12 ARG 13 2HH1 ARG 13 -0.897 -0.006 5.975 103 HH21 ARG 13 1HH2 ARG 13 0.836 2.805 7.224 104 HH22 ARG 13 2HH2 ARG 13 -0.633 1.955 7.263 105 H ABA 14 H ABA 14 1.488 -2.482 2.934 106 HA ABA 14 HA ABA 14 -0.122 -1.584 0.692 107 HB3 ABA 14 1HB ABA 14 0.044 -3.996 0.645 108 HB2 ABA 14 2HB ABA 14 -1.589 -3.558 1.115 109 HG1 ABA 14 3HG ABA 14 0.577 -4.514 2.966 110 HG3 ABA 14 1HG ABA 14 -0.817 -5.439 2.407 111 HG2 ABA 14 2HG ABA 14 -1.050 -4.034 3.453 112 H VAL 15 H VAL 15 -1.526 -0.203 1.023 113 HA VAL 15 HA VAL 15 -2.496 0.198 3.734 114 HB VAL 15 HB VAL 15 -3.219 2.486 2.961 115 HG11 VAL 15 1HG1 VAL 15 -1.110 2.239 4.140 116 HG12 VAL 15 2HG1 VAL 15 -0.970 3.487 2.901 117 HG13 VAL 15 3HG1 VAL 15 -0.282 1.888 2.622 118 HG21 VAL 15 3HG2 VAL 15 -3.392 2.038 0.559 119 HG22 VAL 15 1HG2 VAL 15 -1.645 1.809 0.463 120 HG23 VAL 15 2HG2 VAL 15 -2.307 3.394 0.871 121 H CYS 16 H CYS 16 -4.532 -0.329 4.136 122 HA CYS 16 HA CYS 16 -6.109 -0.945 1.792 123 HB2 CYS 16 2HB CYS 16 -6.420 -2.043 4.593 124 HB3 CYS 16 1HB CYS 16 -7.390 -2.504 3.202 125 H ARG 17 H ARG 17 -8.202 -0.256 1.604 126 HA ARG 17 HA ARG 17 -9.374 1.279 3.763 127 HB2 ARG 17 2HB ARG 17 -9.993 3.178 2.336 128 HB3 ARG 17 1HB ARG 17 -8.255 3.002 2.404 129 HG2 ARG 17 2HG ARG 17 -8.285 1.975 0.173 130 HG3 ARG 17 1HG ARG 17 -10.038 2.181 0.119 131 HD2 ARG 17 2HD ARG 17 -7.993 4.385 0.363 132 HD3 ARG 17 1HD ARG 17 -8.908 3.990 -1.087 133 HE ARG 17 HE ARG 17 -10.918 4.506 0.451 134 HH11 ARG 17 1HH1 ARG 17 -7.838 6.236 0.493 135 HH12 ARG 17 2HH1 ARG 17 -8.497 7.714 1.035 136 HH21 ARG 17 1HH2 ARG 17 -11.832 6.510 1.187 137 HH22 ARG 17 2HH2 ARG 17 -10.860 7.871 1.444 138 H ARG 18 H ARG 18 -11.292 0.531 4.098 139 HA ARG 18 HA ARG 18 -13.347 -0.399 3.862 140 HB2 ARG 18 2HB ARG 18 -13.565 1.499 2.148 141 HB3 ARG 18 1HB ARG 18 -13.181 0.313 0.919 142 HG2 ARG 18 2HG ARG 18 -15.192 -0.974 1.608 143 HG3 ARG 18 1HG ARG 18 -15.606 0.342 2.707 144 HD2 ARG 18 2HD ARG 18 -16.833 0.666 0.676 145 HD3 ARG 18 1HD ARG 18 -15.555 1.882 0.759 146 HE ARG 18 HE ARG 18 -14.903 -0.534 -0.680 147 HH11 ARG 18 1HH1 ARG 18 -16.002 2.841 -0.977 148 HH12 ARG 18 2HH1 ARG 18 -15.759 2.916 -2.646 149 HH21 ARG 18 1HH2 ARG 18 -14.559 -0.429 -2.945 150 HH22 ARG 18 2HH2 ARG 18 -14.904 0.980 -3.830 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -11.224 -0.814 2.974 2 HA2 GLY 1 2HA GLY 1 -11.902 -2.971 2.586 3 HA3 GLY 1 1HA GLY 1 -13.159 -2.344 1.529 4 H VAL 2 H VAL 2 -10.032 -1.159 0.772 5 HA VAL 2 HA VAL 2 -9.662 -3.325 -1.175 6 HB VAL 2 HB VAL 2 -9.093 -0.383 -1.667 7 HG11 VAL 2 1HG1 VAL 2 -8.937 -2.749 -3.534 8 HG12 VAL 2 2HG1 VAL 2 -7.570 -1.864 -2.855 9 HG13 VAL 2 3HG1 VAL 2 -8.663 -1.066 -3.984 10 HG21 VAL 2 3HG2 VAL 2 -11.309 -2.091 -2.802 11 HG22 VAL 2 1HG2 VAL 2 -10.933 -0.438 -3.299 12 HG23 VAL 2 2HG2 VAL 2 -11.493 -0.757 -1.662 13 H CYS 3 H CYS 3 -7.727 -4.254 -0.933 14 HA CYS 3 HA CYS 3 -5.749 -2.787 0.578 15 HB2 CYS 3 2HB CYS 3 -5.838 -5.676 -0.182 16 HB3 CYS 3 1HB CYS 3 -4.511 -4.939 0.686 17 H ARG 4 H ARG 4 -4.242 -1.885 -0.265 18 HA ARG 4 HA ARG 4 -3.492 -2.561 -3.038 19 HB2 ARG 4 2HB ARG 4 -4.614 -0.378 -2.877 20 HB3 ARG 4 1HB ARG 4 -3.424 0.154 -1.703 21 HG2 ARG 4 2HG ARG 4 -3.002 1.082 -3.890 22 HG3 ARG 4 1HG ARG 4 -1.681 0.038 -3.365 23 HD2 ARG 4 2HD ARG 4 -2.552 -1.778 -4.739 24 HD3 ARG 4 1HD ARG 4 -3.900 -0.761 -5.256 25 HE ARG 4 HE ARG 4 -2.093 0.727 -6.150 26 HH11 ARG 4 1HH1 ARG 4 -1.672 -2.805 -5.942 27 HH12 ARG 4 2HH1 ARG 4 -0.666 -2.909 -7.298 28 HH21 ARG 4 1HH2 ARG 4 -0.698 0.562 -8.038 29 HH22 ARG 4 2HH2 ARG 4 -0.115 -0.959 -8.543 30 H ABA 5 H ABA 5 -1.505 -3.347 -3.236 31 HA ABA 5 HA ABA 5 0.386 -2.988 -1.068 32 HB3 ABA 5 1HB ABA 5 0.551 -4.736 -3.538 33 HB2 ABA 5 2HB ABA 5 -0.026 -5.267 -1.965 34 HG1 ABA 5 3HG ABA 5 2.264 -5.987 -2.355 35 HG3 ABA 5 1HG ABA 5 2.181 -4.854 -1.005 36 HG2 ABA 5 2HG ABA 5 2.763 -4.309 -2.577 37 H VAL 6 H VAL 6 1.450 -1.166 -1.178 38 HA VAL 6 HA VAL 6 2.513 -0.392 -3.771 39 HB VAL 6 HB VAL 6 1.068 1.351 -2.778 40 HG11 VAL 6 1HG1 VAL 6 1.710 2.564 -0.748 41 HG12 VAL 6 2HG1 VAL 6 3.011 1.399 -0.476 42 HG13 VAL 6 3HG1 VAL 6 1.334 0.870 -0.426 43 HG21 VAL 6 3HG2 VAL 6 2.870 2.099 -4.202 44 HG22 VAL 6 1HG2 VAL 6 3.987 2.103 -2.837 45 HG23 VAL 6 2HG2 VAL 6 2.653 3.250 -2.883 46 H CYS 7 H CYS 7 4.701 -0.241 -4.010 47 HA CYS 7 HA CYS 7 6.176 -1.000 -1.621 48 HB2 CYS 7 2HB CYS 7 6.914 -1.646 -4.479 49 HB3 CYS 7 1HB CYS 7 7.780 -2.168 -3.043 50 H ARG 8 H ARG 8 7.944 0.128 -1.086 51 HA ARG 8 HA ARG 8 8.778 2.256 -2.923 52 HB2 ARG 8 2HB ARG 8 8.206 2.596 0.031 53 HB3 ARG 8 1HB ARG 8 9.101 3.763 -0.927 54 HG2 ARG 8 2HG ARG 8 6.228 2.947 -1.375 55 HG3 ARG 8 1HG ARG 8 6.783 4.455 -0.642 56 HD2 ARG 8 2HD ARG 8 7.954 5.017 -2.751 57 HD3 ARG 8 1HD ARG 8 7.330 3.533 -3.464 58 HE ARG 8 HE ARG 8 5.282 5.200 -2.418 59 HH11 ARG 8 1HH1 ARG 8 7.351 4.648 -5.241 60 HH12 ARG 8 2HH1 ARG 8 6.306 5.440 -6.330 61 HH21 ARG 8 1HH2 ARG 8 3.864 6.316 -3.954 62 HH22 ARG 8 2HH2 ARG 8 4.301 6.364 -5.602 63 H ARG 9 H ARG 9 10.679 1.738 -3.511 64 HA ARG 9 HA ARG 9 12.855 1.283 -3.553 65 HB2 ARG 9 2HB ARG 9 12.858 3.162 -1.804 66 HB3 ARG 9 1HB ARG 9 12.969 1.903 -0.587 67 HG2 ARG 9 2HG ARG 9 15.091 1.159 -1.557 68 HG3 ARG 9 1HG ARG 9 14.967 2.422 -2.781 69 HD2 ARG 9 2HD ARG 9 16.430 3.212 -1.070 70 HD3 ARG 9 1HD ARG 9 14.917 4.095 -0.938 71 HE ARG 9 HE ARG 9 14.985 1.806 0.751 72 HH11 ARG 9 1HH1 ARG 9 16.013 5.195 0.500 73 HH12 ARG 9 2HH1 ARG 9 16.253 5.402 2.166 74 HH21 ARG 9 1HH2 ARG 9 15.266 2.132 3.098 75 HH22 ARG 9 2HH2 ARG 9 15.787 3.638 3.675 76 H GLY 10 H GLY 10 10.932 -0.713 -3.003 77 HA2 GLY 10 2HA GLY 10 11.389 -3.039 -3.072 78 HA3 GLY 10 1HA GLY 10 12.759 -2.771 -2.006 79 H VAL 11 H VAL 11 10.597 -0.940 -0.509 80 HA VAL 11 HA VAL 11 9.939 -3.134 1.280 81 HB VAL 11 HB VAL 11 9.610 -0.142 1.678 82 HG11 VAL 11 1HG1 VAL 11 9.301 -0.684 4.045 83 HG12 VAL 11 2HG1 VAL 11 9.408 -2.405 3.666 84 HG13 VAL 11 3HG1 VAL 11 8.061 -1.446 3.048 85 HG21 VAL 11 3HG2 VAL 11 11.744 -2.012 2.701 86 HG22 VAL 11 1HG2 VAL 11 11.551 -0.323 3.169 87 HG23 VAL 11 2HG2 VAL 11 11.956 -0.737 1.501 88 H CYS 12 H CYS 12 8.063 -4.084 0.885 89 HA CYS 12 HA CYS 12 6.076 -2.479 -0.415 90 HB2 CYS 12 2HB CYS 12 6.143 -5.446 0.006 91 HB3 CYS 12 1HB CYS 12 4.855 -4.589 -0.822 92 H ARG 13 H ARG 13 4.342 -1.837 0.407 93 HA ARG 13 HA ARG 13 3.525 -2.815 3.051 94 HB2 ARG 13 2HB ARG 13 4.423 -0.600 3.369 95 HB3 ARG 13 1HB ARG 13 3.506 0.018 2.001 96 HG2 ARG 13 2HG ARG 13 2.502 0.755 4.059 97 HG3 ARG 13 1HG ARG 13 1.437 -0.362 3.211 98 HD2 ARG 13 2HD ARG 13 2.346 -2.181 4.722 99 HD3 ARG 13 1HD ARG 13 3.114 -0.890 5.651 100 HE ARG 13 HE ARG 13 0.432 -0.242 5.348 101 HH11 ARG 13 1HH1 ARG 13 2.439 -2.529 7.190 102 HH12 ARG 13 2HH1 ARG 13 1.201 -2.970 8.252 103 HH21 ARG 13 1HH2 ARG 13 -1.259 -0.810 6.845 104 HH22 ARG 13 2HH2 ARG 13 -0.955 -1.932 8.086 105 H ABA 14 H ABA 14 1.628 -3.747 3.007 106 HA ABA 14 HA ABA 14 -0.210 -3.263 0.826 107 HB3 ABA 14 1HB ABA 14 -0.438 -5.107 3.226 108 HB2 ABA 14 2HB ABA 14 0.204 -5.580 1.659 109 HG1 ABA 14 3HG ABA 14 -2.616 -4.686 2.204 110 HG3 ABA 14 1HG ABA 14 -2.083 -6.345 1.933 111 HG2 ABA 14 2HG ABA 14 -1.972 -5.161 0.632 112 H VAL 15 H VAL 15 -1.161 -1.377 1.041 113 HA VAL 15 HA VAL 15 -2.061 -0.396 3.629 114 HB VAL 15 HB VAL 15 -2.222 0.881 0.879 115 HG11 VAL 15 1HG1 VAL 15 -3.860 1.780 2.446 116 HG12 VAL 15 2HG1 VAL 15 -2.613 2.966 2.067 117 HG13 VAL 15 3HG1 VAL 15 -2.570 2.109 3.605 118 HG21 VAL 15 3HG2 VAL 15 -0.198 1.333 3.071 119 HG22 VAL 15 1HG2 VAL 15 -0.314 2.258 1.573 120 HG23 VAL 15 2HG2 VAL 15 0.099 0.542 1.526 121 H CYS 16 H CYS 16 -4.022 -1.162 4.229 122 HA CYS 16 HA CYS 16 -5.903 -1.639 2.085 123 HB2 CYS 16 2HB CYS 16 -6.071 -2.546 4.968 124 HB3 CYS 16 1HB CYS 16 -7.241 -2.928 3.713 125 H ARG 17 H ARG 17 -7.467 -0.310 1.720 126 HA ARG 17 HA ARG 17 -8.507 1.323 3.843 127 HB2 ARG 17 2HB ARG 17 -8.207 3.435 2.457 128 HB3 ARG 17 1HB ARG 17 -6.787 2.795 3.256 129 HG2 ARG 17 2HG ARG 17 -6.054 1.800 1.136 130 HG3 ARG 17 1HG ARG 17 -7.470 2.492 0.338 131 HD2 ARG 17 2HD ARG 17 -5.385 4.103 1.808 132 HD3 ARG 17 1HD ARG 17 -5.386 3.846 0.062 133 HE ARG 17 HE ARG 17 -7.801 4.795 0.412 134 HH11 ARG 17 1HH1 ARG 17 -4.795 6.017 1.857 135 HH12 ARG 17 2HH1 ARG 17 -5.243 7.645 1.791 136 HH21 ARG 17 1HH2 ARG 17 -8.429 7.068 0.303 137 HH22 ARG 17 2HH2 ARG 17 -7.348 8.260 0.849 138 H ARG 18 H ARG 18 -10.525 1.685 3.700 139 HA ARG 18 HA ARG 18 -12.642 1.516 3.144 140 HB2 ARG 18 2HB ARG 18 -12.011 3.545 1.863 141 HB3 ARG 18 1HB ARG 18 -11.704 2.546 0.454 142 HG2 ARG 18 2HG ARG 18 -13.884 3.830 0.465 143 HG3 ARG 18 1HG ARG 18 -14.018 2.101 0.153 144 HD2 ARG 18 2HD ARG 18 -15.734 3.034 1.734 145 HD3 ARG 18 1HD ARG 18 -14.803 1.677 2.365 146 HE ARG 18 HE ARG 18 -13.723 4.244 3.050 147 HH11 ARG 18 1HH1 ARG 18 -16.194 1.880 3.998 148 HH12 ARG 18 2HH1 ARG 18 -16.099 2.246 5.651 149 HH21 ARG 18 1HH2 ARG 18 -13.593 4.710 5.302 150 HH22 ARG 18 2HH2 ARG 18 -14.591 3.897 6.429 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -10.974 -1.514 3.355 2 HA2 GLY 1 2HA GLY 1 -11.199 -3.847 3.197 3 HA3 GLY 1 1HA GLY 1 -12.667 -3.612 2.266 4 H VAL 2 H VAL 2 -10.496 -1.594 0.840 5 HA VAL 2 HA VAL 2 -9.772 -3.660 -1.114 6 HB VAL 2 HB VAL 2 -9.948 -0.647 -1.467 7 HG11 VAL 2 1HG1 VAL 2 -8.308 -1.688 -2.955 8 HG12 VAL 2 2HG1 VAL 2 -9.699 -1.093 -3.853 9 HG13 VAL 2 3HG1 VAL 2 -9.536 -2.822 -3.525 10 HG21 VAL 2 3HG2 VAL 2 -11.945 -1.085 -2.830 11 HG22 VAL 2 1HG2 VAL 2 -12.168 -1.618 -1.163 12 HG23 VAL 2 2HG2 VAL 2 -11.838 -2.796 -2.434 13 H CYS 3 H CYS 3 -7.643 -4.161 -1.173 14 HA CYS 3 HA CYS 3 -5.918 -2.368 0.316 15 HB2 CYS 3 2HB CYS 3 -5.523 -5.265 -0.344 16 HB3 CYS 3 1HB CYS 3 -4.368 -4.266 0.526 17 H ARG 4 H ARG 4 -4.335 -1.396 -0.449 18 HA ARG 4 HA ARG 4 -3.478 -1.858 -3.235 19 HB2 ARG 4 2HB ARG 4 -4.622 0.292 -2.963 20 HB3 ARG 4 1HB ARG 4 -3.604 0.677 -1.593 21 HG2 ARG 4 2HG ARG 4 -2.946 1.969 -3.510 22 HG3 ARG 4 1HG ARG 4 -1.673 0.846 -3.057 23 HD2 ARG 4 2HD ARG 4 -3.655 0.129 -5.179 24 HD3 ARG 4 1HD ARG 4 -2.305 1.184 -5.569 25 HE ARG 4 HE ARG 4 -0.909 -0.746 -4.638 26 HH11 ARG 4 1HH1 ARG 4 -3.985 -1.268 -6.320 27 HH12 ARG 4 2HH1 ARG 4 -3.482 -2.712 -7.059 28 HH21 ARG 4 1HH2 ARG 4 -0.228 -2.740 -5.675 29 HH22 ARG 4 2HH2 ARG 4 -1.320 -3.566 -6.667 30 H ABA 5 H ABA 5 -1.537 -2.692 -3.263 31 HA ABA 5 HA ABA 5 0.298 -2.164 -1.060 32 HB3 ABA 5 1HB ABA 5 0.513 -4.182 -3.308 33 HB2 ABA 5 2HB ABA 5 -0.114 -4.532 -1.701 34 HG1 ABA 5 3HG ABA 5 2.064 -3.983 -0.738 35 HG3 ABA 5 1HG ABA 5 2.689 -3.665 -2.356 36 HG2 ABA 5 2HG ABA 5 2.166 -5.294 -1.913 37 H VAL 6 H VAL 6 1.767 -0.718 -1.304 38 HA VAL 6 HA VAL 6 2.663 0.076 -3.986 39 HB VAL 6 HB VAL 6 2.621 1.752 -1.442 40 HG11 VAL 6 1HG1 VAL 6 3.353 2.528 -4.264 41 HG12 VAL 6 2HG1 VAL 6 4.467 2.357 -2.908 42 HG13 VAL 6 3HG1 VAL 6 3.248 3.635 -2.896 43 HG21 VAL 6 3HG2 VAL 6 0.865 1.955 -3.892 44 HG22 VAL 6 1HG2 VAL 6 0.884 3.102 -2.550 45 HG23 VAL 6 2HG2 VAL 6 0.361 1.439 -2.283 46 H CYS 7 H CYS 7 4.748 -0.456 -4.324 47 HA CYS 7 HA CYS 7 6.315 -1.185 -1.965 48 HB2 CYS 7 2HB CYS 7 6.800 -1.996 -4.839 49 HB3 CYS 7 1HB CYS 7 7.658 -2.594 -3.421 50 H ARG 8 H ARG 8 8.022 -0.170 -1.338 51 HA ARG 8 HA ARG 8 9.298 1.707 -3.179 52 HB2 ARG 8 2HB ARG 8 8.387 2.400 -0.374 53 HB3 ARG 8 1HB ARG 8 9.462 3.384 -1.347 54 HG2 ARG 8 2HG ARG 8 6.580 2.757 -1.938 55 HG3 ARG 8 1HG ARG 8 7.226 4.302 -1.365 56 HD2 ARG 8 2HD ARG 8 7.746 2.967 -4.025 57 HD3 ARG 8 1HD ARG 8 6.822 4.437 -3.740 58 HE ARG 8 HE ARG 8 9.331 4.954 -2.749 59 HH11 ARG 8 1HH1 ARG 8 8.017 4.029 -5.905 60 HH12 ARG 8 2HH1 ARG 8 9.239 4.821 -6.790 61 HH21 ARG 8 1HH2 ARG 8 11.004 5.992 -3.977 62 HH22 ARG 8 2HH2 ARG 8 10.956 5.952 -5.691 63 H ARG 9 H ARG 9 11.378 1.444 -3.143 64 HA ARG 9 HA ARG 9 13.502 0.939 -2.562 65 HB2 ARG 9 2HB ARG 9 12.937 2.662 -0.772 66 HB3 ARG 9 1HB ARG 9 12.580 1.330 0.304 67 HG2 ARG 9 2HG ARG 9 14.776 2.252 0.773 68 HG3 ARG 9 1HG ARG 9 14.918 0.600 0.180 69 HD2 ARG 9 2HD ARG 9 16.598 2.130 -0.793 70 HD3 ARG 9 1HD ARG 9 15.565 1.389 -2.016 71 HE ARG 9 HE ARG 9 14.377 3.788 -1.407 72 HH11 ARG 9 1HH1 ARG 9 17.633 2.916 -2.516 73 HH12 ARG 9 2HH1 ARG 9 17.811 4.298 -3.481 74 HH21 ARG 9 1HH2 ARG 9 14.622 5.639 -2.758 75 HH22 ARG 9 2HH2 ARG 9 16.051 5.900 -3.641 76 H GLY 10 H GLY 10 11.605 -1.121 -2.867 77 HA2 GLY 10 2HA GLY 10 11.744 -3.427 -2.919 78 HA3 GLY 10 1HA GLY 10 13.144 -3.336 -1.865 79 H VAL 11 H VAL 11 10.436 -1.620 -0.722 80 HA VAL 11 HA VAL 11 9.721 -3.853 1.029 81 HB VAL 11 HB VAL 11 9.845 -0.896 1.728 82 HG11 VAL 11 1HG1 VAL 11 9.133 -3.249 3.473 83 HG12 VAL 11 2HG1 VAL 11 8.007 -2.032 2.879 84 HG13 VAL 11 3HG1 VAL 11 9.286 -1.574 4.009 85 HG21 VAL 11 3HG2 VAL 11 11.558 -3.196 2.670 86 HG22 VAL 11 1HG2 VAL 11 11.627 -1.548 3.294 87 HG23 VAL 11 2HG2 VAL 11 12.065 -1.879 1.614 88 H CYS 12 H CYS 12 7.688 -4.420 0.708 89 HA CYS 12 HA CYS 12 5.996 -2.558 -0.684 90 HB2 CYS 12 2HB CYS 12 5.588 -5.437 -0.088 91 HB3 CYS 12 1HB CYS 12 4.442 -4.441 -0.958 92 H ARG 13 H ARG 13 4.707 -1.414 0.147 93 HA ARG 13 HA ARG 13 3.835 -1.780 2.913 94 HB2 ARG 13 2HB ARG 13 4.882 0.332 2.507 95 HB3 ARG 13 1HB ARG 13 3.988 0.575 1.029 96 HG2 ARG 13 2HG ARG 13 3.284 2.062 2.805 97 HG3 ARG 13 1HG ARG 13 1.979 1.022 2.262 98 HD2 ARG 13 2HD ARG 13 2.079 -0.295 4.223 99 HD3 ARG 13 1HD ARG 13 3.638 0.388 4.693 100 HE ARG 13 HE ARG 13 2.416 2.539 4.930 101 HH11 ARG 13 1HH1 ARG 13 0.466 -0.427 5.228 102 HH12 ARG 13 2HH1 ARG 13 -0.493 0.205 6.463 103 HH21 ARG 13 1HH2 ARG 13 1.030 3.385 6.525 104 HH22 ARG 13 2HH2 ARG 13 -0.193 2.436 7.229 105 H ABA 14 H ABA 14 1.897 -2.597 3.184 106 HA ABA 14 HA ABA 14 -0.020 -2.503 1.000 107 HB3 ABA 14 1HB ABA 14 0.066 -4.211 3.499 108 HB2 ABA 14 2HB ABA 14 0.530 -4.732 1.883 109 HG1 ABA 14 3HG ABA 14 -1.759 -4.455 1.111 110 HG3 ABA 14 1HG ABA 14 -2.233 -3.885 2.711 111 HG2 ABA 14 2HG ABA 14 -1.680 -5.542 2.499 112 H VAL 15 H VAL 15 -1.464 -0.996 1.129 113 HA VAL 15 HA VAL 15 -2.311 0.008 3.749 114 HB VAL 15 HB VAL 15 -2.479 1.329 1.007 115 HG11 VAL 15 1HG1 VAL 15 -3.110 3.356 2.216 116 HG12 VAL 15 2HG1 VAL 15 -3.079 2.459 3.732 117 HG13 VAL 15 3HG1 VAL 15 -4.262 2.046 2.491 118 HG21 VAL 15 3HG2 VAL 15 -0.757 2.895 1.832 119 HG22 VAL 15 1HG2 VAL 15 -0.166 1.236 1.725 120 HG23 VAL 15 2HG2 VAL 15 -0.593 1.916 3.290 121 H CYS 16 H CYS 16 -4.568 -0.132 4.099 122 HA CYS 16 HA CYS 16 -6.054 -1.151 1.825 123 HB2 CYS 16 2HB CYS 16 -6.399 -2.080 4.687 124 HB3 CYS 16 1HB CYS 16 -7.421 -2.574 3.338 125 H ARG 17 H ARG 17 -8.010 -0.237 1.440 126 HA ARG 17 HA ARG 17 -8.957 1.745 3.345 127 HB2 ARG 17 2HB ARG 17 -8.475 2.180 0.398 128 HB3 ARG 17 1HB ARG 17 -9.412 3.260 1.417 129 HG2 ARG 17 2HG ARG 17 -7.460 3.707 2.778 130 HG3 ARG 17 1HG ARG 17 -6.515 2.577 1.813 131 HD2 ARG 17 2HD ARG 17 -6.805 3.962 -0.146 132 HD3 ARG 17 1HD ARG 17 -7.857 5.055 0.757 133 HE ARG 17 HE ARG 17 -5.468 4.838 2.126 134 HH11 ARG 17 1HH1 ARG 17 -6.563 6.148 -0.986 135 HH12 ARG 17 2HH1 ARG 17 -5.409 7.386 -1.016 136 HH21 ARG 17 1HH2 ARG 17 -3.886 6.524 2.074 137 HH22 ARG 17 2HH2 ARG 17 -3.834 7.606 0.771 138 H ARG 18 H ARG 18 -10.818 1.085 3.855 139 HA ARG 18 HA ARG 18 -12.947 0.395 3.856 140 HB2 ARG 18 2HB ARG 18 -13.020 2.364 2.194 141 HB3 ARG 18 1HB ARG 18 -13.123 1.145 0.934 142 HG2 ARG 18 2HG ARG 18 -15.177 0.290 1.904 143 HG3 ARG 18 1HG ARG 18 -15.059 1.459 3.214 144 HD2 ARG 18 2HD ARG 18 -15.119 3.263 1.447 145 HD3 ARG 18 1HD ARG 18 -15.526 1.993 0.288 146 HE ARG 18 HE ARG 18 -17.216 1.776 2.480 147 HH11 ARG 18 1HH1 ARG 18 -16.743 3.951 -0.303 148 HH12 ARG 18 2HH1 ARG 18 -18.316 4.572 -0.242 149 HH21 ARG 18 1HH2 ARG 18 -19.342 2.651 2.570 150 HH22 ARG 18 2HH2 ARG 18 -19.855 3.810 1.438 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.428 -1.061 2.883 2 HA2 GLY 1 2HA GLY 1 -11.931 -3.286 2.600 3 HA3 GLY 1 1HA GLY 1 -13.191 -2.813 1.475 4 H VAL 2 H VAL 2 -10.192 -1.416 0.660 5 HA VAL 2 HA VAL 2 -9.607 -3.640 -1.174 6 HB VAL 2 HB VAL 2 -9.405 -0.673 -1.814 7 HG11 VAL 2 1HG1 VAL 2 -8.869 -3.069 -3.570 8 HG12 VAL 2 2HG1 VAL 2 -7.663 -1.957 -2.924 9 HG13 VAL 2 3HG1 VAL 2 -8.853 -1.386 -4.098 10 HG21 VAL 2 3HG2 VAL 2 -11.730 -1.391 -1.816 11 HG22 VAL 2 1HG2 VAL 2 -11.326 -2.742 -2.876 12 HG23 VAL 2 2HG2 VAL 2 -11.180 -1.089 -3.468 13 H CYS 3 H CYS 3 -7.526 -4.310 -1.024 14 HA CYS 3 HA CYS 3 -5.786 -2.631 0.560 15 HB2 CYS 3 2HB CYS 3 -5.452 -5.510 -0.189 16 HB3 CYS 3 1HB CYS 3 -4.369 -4.593 0.842 17 H ARG 4 H ARG 4 -4.282 -1.612 -0.108 18 HA ARG 4 HA ARG 4 -3.532 -1.805 -2.936 19 HB2 ARG 4 2HB ARG 4 -4.411 0.358 -2.197 20 HB3 ARG 4 1HB ARG 4 -3.148 0.457 -0.979 21 HG2 ARG 4 2HG ARG 4 -2.612 1.856 -2.879 22 HG3 ARG 4 1HG ARG 4 -1.458 0.538 -2.705 23 HD2 ARG 4 2HD ARG 4 -2.173 0.943 -5.067 24 HD3 ARG 4 1HD ARG 4 -2.471 -0.693 -4.475 25 HE ARG 4 HE ARG 4 -4.698 1.062 -4.133 26 HH11 ARG 4 1HH1 ARG 4 -3.102 -1.074 -6.429 27 HH12 ARG 4 2HH1 ARG 4 -4.507 -1.427 -7.321 28 HH21 ARG 4 1HH2 ARG 4 -6.611 0.585 -5.284 29 HH22 ARG 4 2HH2 ARG 4 -6.590 -0.436 -6.656 30 H ABA 5 H ABA 5 -1.573 -2.514 -3.464 31 HA ABA 5 HA ABA 5 0.399 -2.931 -1.383 32 HB3 ABA 5 1HB ABA 5 0.446 -3.675 -4.326 33 HB2 ABA 5 2HB ABA 5 -0.078 -4.737 -3.026 34 HG1 ABA 5 3HG ABA 5 2.697 -3.637 -3.387 35 HG3 ABA 5 1HG ABA 5 2.171 -5.283 -3.733 36 HG2 ABA 5 2HG ABA 5 2.172 -4.687 -2.074 37 H VAL 6 H VAL 6 1.541 -1.184 -0.901 38 HA VAL 6 HA VAL 6 2.389 0.647 -3.028 39 HB VAL 6 HB VAL 6 2.390 1.041 -0.015 40 HG11 VAL 6 1HG1 VAL 6 4.103 2.365 -1.113 41 HG12 VAL 6 2HG1 VAL 6 2.809 3.408 -0.519 42 HG13 VAL 6 3HG1 VAL 6 2.905 3.012 -2.234 43 HG21 VAL 6 3HG2 VAL 6 0.489 2.145 -2.080 44 HG22 VAL 6 1HG2 VAL 6 0.506 2.582 -0.371 45 HG23 VAL 6 2HG2 VAL 6 0.111 0.934 -0.855 46 H CYS 7 H CYS 7 4.331 -0.066 -3.755 47 HA CYS 7 HA CYS 7 6.164 -1.028 -1.735 48 HB2 CYS 7 2HB CYS 7 6.205 -1.517 -4.722 49 HB3 CYS 7 1HB CYS 7 7.426 -2.094 -3.595 50 H ARG 8 H ARG 8 8.096 -0.096 -1.457 51 HA ARG 8 HA ARG 8 8.975 1.984 -3.269 52 HB2 ARG 8 2HB ARG 8 9.366 3.493 -1.268 53 HB3 ARG 8 1HB ARG 8 7.697 3.328 -1.803 54 HG2 ARG 8 2HG ARG 8 7.277 1.773 0.036 55 HG3 ARG 8 1HG ARG 8 8.961 1.907 0.543 56 HD2 ARG 8 2HD ARG 8 7.423 3.317 1.887 57 HD3 ARG 8 1HD ARG 8 8.668 4.241 1.057 58 HE ARG 8 HE ARG 8 6.969 4.793 -0.618 59 HH11 ARG 8 1HH1 ARG 8 5.753 3.714 2.552 60 HH12 ARG 8 2HH1 ARG 8 4.355 4.664 2.494 61 HH21 ARG 8 1HH2 ARG 8 5.064 6.113 -0.683 62 HH22 ARG 8 2HH2 ARG 8 3.966 6.096 0.611 63 H ARG 9 H ARG 9 11.000 1.568 -3.691 64 HA ARG 9 HA ARG 9 13.178 0.987 -3.544 65 HB2 ARG 9 2HB ARG 9 13.003 2.780 -1.744 66 HB3 ARG 9 1HB ARG 9 12.909 1.480 -0.570 67 HG2 ARG 9 2HG ARG 9 15.138 0.710 -1.327 68 HG3 ARG 9 1HG ARG 9 15.213 2.114 -2.396 69 HD2 ARG 9 2HD ARG 9 16.391 2.684 -0.417 70 HD3 ARG 9 1HD ARG 9 14.861 3.553 -0.395 71 HE ARG 9 HE ARG 9 15.389 1.098 1.138 72 HH11 ARG 9 1HH1 ARG 9 13.623 4.193 0.850 73 HH12 ARG 9 2HH1 ARG 9 13.223 4.242 2.501 74 HH21 ARG 9 1HH2 ARG 9 14.773 1.216 3.420 75 HH22 ARG 9 2HH2 ARG 9 13.876 2.559 3.956 76 H GLY 10 H GLY 10 11.296 -1.093 -3.428 77 HA2 GLY 10 2HA GLY 10 11.390 -3.402 -3.264 78 HA3 GLY 10 1HA GLY 10 12.951 -3.240 -2.470 79 H VAL 11 H VAL 11 10.614 -1.334 -0.971 80 HA VAL 11 HA VAL 11 10.129 -3.386 1.073 81 HB VAL 11 HB VAL 11 10.027 -0.354 1.334 82 HG11 VAL 11 1HG1 VAL 11 8.522 -1.476 2.879 83 HG12 VAL 11 2HG1 VAL 11 9.879 -0.750 3.741 84 HG13 VAL 11 3HG1 VAL 11 9.847 -2.490 3.451 85 HG21 VAL 11 3HG2 VAL 11 12.078 -0.545 2.678 86 HG22 VAL 11 1HG2 VAL 11 12.325 -1.093 1.019 87 HG23 VAL 11 2HG2 VAL 11 12.141 -2.270 2.318 88 H CYS 12 H CYS 12 8.100 -4.170 0.856 89 HA CYS 12 HA CYS 12 6.163 -2.379 -0.337 90 HB2 CYS 12 2HB CYS 12 6.072 -5.366 -0.098 91 HB3 CYS 12 1HB CYS 12 4.776 -4.381 -0.753 92 H ARG 13 H ARG 13 4.554 -1.676 0.566 93 HA ARG 13 HA ARG 13 3.777 -2.639 3.232 94 HB2 ARG 13 2HB ARG 13 4.740 -0.426 3.416 95 HB3 ARG 13 1HB ARG 13 3.755 0.162 2.087 96 HG2 ARG 13 2HG ARG 13 2.928 0.961 4.204 97 HG3 ARG 13 1HG ARG 13 1.755 -0.102 3.421 98 HD2 ARG 13 2HD ARG 13 1.858 -0.591 5.791 99 HD3 ARG 13 1HD ARG 13 2.496 -1.949 4.872 100 HE ARG 13 HE ARG 13 4.414 -0.009 5.799 101 HH11 ARG 13 1HH1 ARG 13 2.929 -3.189 6.363 102 HH12 ARG 13 2HH1 ARG 13 4.046 -3.627 7.574 103 HH21 ARG 13 1HH2 ARG 13 5.970 -0.674 7.412 104 HH22 ARG 13 2HH2 ARG 13 5.773 -2.182 8.200 105 H ABA 14 H ABA 14 1.703 -3.299 3.396 106 HA ABA 14 HA ABA 14 -0.061 -2.798 1.123 107 HB3 ABA 14 1HB ABA 14 -0.243 -4.897 3.304 108 HB2 ABA 14 2HB ABA 14 0.387 -5.182 1.691 109 HG1 ABA 14 3HG ABA 14 -1.804 -4.680 0.737 110 HG3 ABA 14 1HG ABA 14 -2.442 -4.397 2.358 111 HG2 ABA 14 2HG ABA 14 -1.886 -6.005 1.895 112 H VAL 15 H VAL 15 -1.409 -1.179 1.450 113 HA VAL 15 HA VAL 15 -2.416 -0.746 4.159 114 HB VAL 15 HB VAL 15 -2.959 1.593 3.459 115 HG11 VAL 15 1HG1 VAL 15 -0.679 2.465 3.594 116 HG12 VAL 15 2HG1 VAL 15 -0.052 0.870 3.199 117 HG13 VAL 15 3HG1 VAL 15 -0.920 1.121 4.716 118 HG21 VAL 15 3HG2 VAL 15 -1.860 2.550 1.463 119 HG22 VAL 15 1HG2 VAL 15 -3.044 1.310 1.038 120 HG23 VAL 15 2HG2 VAL 15 -1.324 0.931 1.004 121 H CYS 16 H CYS 16 -4.510 -1.061 4.484 122 HA CYS 16 HA CYS 16 -6.084 -1.551 2.101 123 HB2 CYS 16 2HB CYS 16 -6.581 -2.530 4.923 124 HB3 CYS 16 1HB CYS 16 -7.552 -2.931 3.510 125 H ARG 17 H ARG 17 -7.709 -0.309 1.578 126 HA ARG 17 HA ARG 17 -8.772 1.536 3.572 127 HB2 ARG 17 2HB ARG 17 -7.777 2.348 0.835 128 HB3 ARG 17 1HB ARG 17 -8.588 3.393 1.986 129 HG2 ARG 17 2HG ARG 17 -6.688 3.169 3.518 130 HG3 ARG 17 1HG ARG 17 -5.894 2.101 2.361 131 HD2 ARG 17 2HD ARG 17 -5.914 3.896 0.706 132 HD3 ARG 17 1HD ARG 17 -6.686 4.958 1.877 133 HE ARG 17 HE ARG 17 -4.374 4.009 3.044 134 HH11 ARG 17 1HH1 ARG 17 -5.318 6.048 0.309 135 HH12 ARG 17 2HH1 ARG 17 -3.881 6.950 0.265 136 HH21 ARG 17 1HH2 ARG 17 -2.319 5.261 2.995 137 HH22 ARG 17 2HH2 ARG 17 -2.165 6.494 1.847 138 H ARG 18 H ARG 18 -10.874 1.535 3.435 139 HA ARG 18 HA ARG 18 -13.017 1.243 2.793 140 HB2 ARG 18 2HB ARG 18 -12.298 3.145 1.299 141 HB3 ARG 18 1HB ARG 18 -12.003 1.973 0.029 142 HG2 ARG 18 2HG ARG 18 -14.368 1.391 -0.000 143 HG3 ARG 18 1HG ARG 18 -14.678 2.525 1.310 144 HD2 ARG 18 2HD ARG 18 -15.268 3.543 -0.790 145 HD3 ARG 18 1HD ARG 18 -13.861 4.357 -0.113 146 HE ARG 18 HE ARG 18 -13.388 2.251 -2.069 147 HH11 ARG 18 1HH1 ARG 18 -13.508 5.757 -1.428 148 HH12 ARG 18 2HH1 ARG 18 -12.681 6.177 -2.842 149 HH21 ARG 18 1HH2 ARG 18 -12.250 2.842 -3.990 150 HH22 ARG 18 2HH2 ARG 18 -11.924 4.482 -4.332 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -11.437 -1.065 2.825 2 HA2 GLY 1 2HA GLY 1 -11.935 -3.371 2.788 3 HA3 GLY 1 1HA GLY 1 -13.176 -3.043 1.591 4 H VAL 2 H VAL 2 -10.405 -1.464 0.592 5 HA VAL 2 HA VAL 2 -9.651 -3.786 -1.026 6 HB VAL 2 HB VAL 2 -9.616 -0.869 -1.887 7 HG11 VAL 2 1HG1 VAL 2 -9.089 -1.762 -4.122 8 HG12 VAL 2 2HG1 VAL 2 -8.992 -3.383 -3.437 9 HG13 VAL 2 3HG1 VAL 2 -7.837 -2.144 -2.940 10 HG21 VAL 2 3HG2 VAL 2 -11.411 -1.494 -3.450 11 HG22 VAL 2 1HG2 VAL 2 -11.903 -1.697 -1.768 12 HG23 VAL 2 2HG2 VAL 2 -11.463 -3.104 -2.736 13 H CYS 3 H CYS 3 -7.591 -4.338 -0.889 14 HA CYS 3 HA CYS 3 -5.889 -2.589 0.646 15 HB2 CYS 3 2HB CYS 3 -5.484 -5.443 -0.157 16 HB3 CYS 3 1HB CYS 3 -4.387 -4.509 0.849 17 H ARG 4 H ARG 4 -4.311 -1.553 -0.010 18 HA ARG 4 HA ARG 4 -3.502 -1.809 -2.832 19 HB2 ARG 4 2HB ARG 4 -4.610 0.327 -2.322 20 HB3 ARG 4 1HB ARG 4 -3.510 0.586 -0.980 21 HG2 ARG 4 2HG ARG 4 -2.877 1.967 -2.837 22 HG3 ARG 4 1HG ARG 4 -1.650 0.743 -2.531 23 HD2 ARG 4 2HD ARG 4 -2.573 -0.614 -4.367 24 HD3 ARG 4 1HD ARG 4 -3.764 0.652 -4.683 25 HE ARG 4 HE ARG 4 -1.456 1.987 -4.840 26 HH11 ARG 4 1HH1 ARG 4 -2.514 -1.018 -6.373 27 HH12 ARG 4 2HH1 ARG 4 -1.496 -0.825 -7.725 28 HH21 ARG 4 1HH2 ARG 4 -0.096 2.224 -6.662 29 HH22 ARG 4 2HH2 ARG 4 -0.062 1.032 -7.890 30 H ABA 5 H ABA 5 -1.477 -2.620 -3.042 31 HA ABA 5 HA ABA 5 0.372 -2.213 -0.812 32 HB3 ABA 5 1HB ABA 5 0.432 -4.362 -2.942 33 HB2 ABA 5 2HB ABA 5 -0.162 -4.594 -1.299 34 HG1 ABA 5 3HG ABA 5 2.081 -5.481 -1.549 35 HG3 ABA 5 1HG ABA 5 2.068 -4.118 -0.430 36 HG2 ABA 5 2HG ABA 5 2.658 -3.900 -2.078 37 H VAL 6 H VAL 6 1.652 -0.627 -1.168 38 HA VAL 6 HA VAL 6 2.592 -0.111 -3.888 39 HB VAL 6 HB VAL 6 1.401 1.801 -2.863 40 HG11 VAL 6 1HG1 VAL 6 2.320 3.018 -0.940 41 HG12 VAL 6 2HG1 VAL 6 3.507 1.738 -0.715 42 HG13 VAL 6 3HG1 VAL 6 1.789 1.389 -0.517 43 HG21 VAL 6 3HG2 VAL 6 4.365 2.305 -3.139 44 HG22 VAL 6 1HG2 VAL 6 3.112 3.548 -3.172 45 HG23 VAL 6 2HG2 VAL 6 3.172 2.321 -4.438 46 H CYS 7 H CYS 7 4.821 -0.091 -4.255 47 HA CYS 7 HA CYS 7 6.316 -1.045 -1.955 48 HB2 CYS 7 2HB CYS 7 6.820 -1.703 -4.862 49 HB3 CYS 7 1HB CYS 7 7.702 -2.348 -3.478 50 H ARG 8 H ARG 8 8.111 -0.054 -1.359 51 HA ARG 8 HA ARG 8 9.240 2.043 -3.086 52 HB2 ARG 8 2HB ARG 8 8.609 2.340 -0.140 53 HB3 ARG 8 1HB ARG 8 9.381 3.535 -1.158 54 HG2 ARG 8 2HG ARG 8 7.365 3.865 -2.409 55 HG3 ARG 8 1HG ARG 8 6.576 2.536 -1.555 56 HD2 ARG 8 2HD ARG 8 7.557 5.110 -0.322 57 HD3 ARG 8 1HD ARG 8 5.878 4.692 -0.664 58 HE ARG 8 HE ARG 8 7.091 2.730 0.987 59 HH11 ARG 8 1HH1 ARG 8 5.743 6.014 1.157 60 HH12 ARG 8 2HH1 ARG 8 5.332 5.888 2.805 61 HH21 ARG 8 1HH2 ARG 8 6.498 2.590 3.248 62 HH22 ARG 8 2HH2 ARG 8 5.765 3.939 4.003 63 H ARG 9 H ARG 9 11.373 1.760 -3.197 64 HA ARG 9 HA ARG 9 13.503 1.100 -2.795 65 HB2 ARG 9 2HB ARG 9 13.202 2.683 -0.873 66 HB3 ARG 9 1HB ARG 9 12.690 1.335 0.125 67 HG2 ARG 9 2HG ARG 9 14.933 0.326 -0.191 68 HG3 ARG 9 1HG ARG 9 15.419 1.778 -1.071 69 HD2 ARG 9 2HD ARG 9 15.009 3.133 0.884 70 HD3 ARG 9 1HD ARG 9 14.401 1.728 1.760 71 HE ARG 9 HE ARG 9 17.009 1.255 0.806 72 HH11 ARG 9 1HH1 ARG 9 15.274 3.012 3.344 73 HH12 ARG 9 2HH1 ARG 9 16.598 3.040 4.418 74 HH21 ARG 9 1HH2 ARG 9 18.819 1.266 2.307 75 HH22 ARG 9 2HH2 ARG 9 18.644 2.014 3.825 76 H GLY 10 H GLY 10 11.610 -0.925 -3.267 77 HA2 GLY 10 2HA GLY 10 11.630 -3.230 -3.398 78 HA3 GLY 10 1HA GLY 10 13.110 -3.216 -2.452 79 H VAL 11 H VAL 11 10.552 -1.523 -0.991 80 HA VAL 11 HA VAL 11 9.947 -3.811 0.749 81 HB VAL 11 HB VAL 11 9.966 -0.863 1.470 82 HG11 VAL 11 1HG1 VAL 11 9.614 -3.296 3.207 83 HG12 VAL 11 2HG1 VAL 11 8.362 -2.137 2.775 84 HG13 VAL 11 3HG1 VAL 11 9.716 -1.636 3.788 85 HG21 VAL 11 3HG2 VAL 11 11.953 -1.337 2.823 86 HG22 VAL 11 1HG2 VAL 11 12.244 -1.650 1.110 87 HG23 VAL 11 2HG2 VAL 11 11.965 -2.995 2.217 88 H CYS 12 H CYS 12 7.895 -4.419 0.462 89 HA CYS 12 HA CYS 12 6.111 -2.473 -0.672 90 HB2 CYS 12 2HB CYS 12 5.738 -5.422 -0.292 91 HB3 CYS 12 1HB CYS 12 4.572 -4.358 -1.063 92 H ARG 13 H ARG 13 4.556 -1.569 0.233 93 HA ARG 13 HA ARG 13 3.875 -2.244 3.022 94 HB2 ARG 13 2HB ARG 13 5.044 -0.068 2.764 95 HB3 ARG 13 1HB ARG 13 3.818 0.453 1.631 96 HG2 ARG 13 2HG ARG 13 3.502 1.470 3.794 97 HG3 ARG 13 1HG ARG 13 2.143 0.429 3.372 98 HD2 ARG 13 2HD ARG 13 2.984 -1.316 4.807 99 HD3 ARG 13 1HD ARG 13 4.429 -0.373 5.184 100 HE ARG 13 HE ARG 13 2.684 1.282 6.064 101 HH11 ARG 13 1HH1 ARG 13 2.368 -2.269 6.328 102 HH12 ARG 13 2HH1 ARG 13 1.530 -2.217 7.796 103 HH21 ARG 13 1HH2 ARG 13 1.532 1.300 8.170 104 HH22 ARG 13 2HH2 ARG 13 1.054 -0.181 8.844 105 H ABA 14 H ABA 14 1.828 -2.959 3.268 106 HA ABA 14 HA ABA 14 -0.079 -2.434 1.121 107 HB3 ABA 14 1HB ABA 14 -0.079 -4.633 3.198 108 HB2 ABA 14 2HB ABA 14 0.466 -4.813 1.536 109 HG1 ABA 14 3HG ABA 14 -1.760 -5.718 1.819 110 HG3 ABA 14 1HG ABA 14 -1.792 -4.326 0.738 111 HG2 ABA 14 2HG ABA 14 -2.340 -4.158 2.407 112 H VAL 15 H VAL 15 -1.565 -1.035 1.503 113 HA VAL 15 HA VAL 15 -2.462 -0.578 4.261 114 HB VAL 15 HB VAL 15 -2.372 1.440 1.985 115 HG11 VAL 15 1HG1 VAL 15 -2.956 3.087 3.695 116 HG12 VAL 15 2HG1 VAL 15 -3.097 1.788 4.885 117 HG13 VAL 15 3HG1 VAL 15 -4.203 1.849 3.514 118 HG21 VAL 15 3HG2 VAL 15 -0.625 1.270 4.444 119 HG22 VAL 15 1HG2 VAL 15 -0.602 2.572 3.258 120 HG23 VAL 15 2HG2 VAL 15 -0.114 0.945 2.787 121 H CYS 16 H CYS 16 -4.559 -1.035 4.519 122 HA CYS 16 HA CYS 16 -6.143 -1.432 2.111 123 HB2 CYS 16 2HB CYS 16 -6.695 -2.463 4.900 124 HB3 CYS 16 1HB CYS 16 -7.585 -2.882 3.436 125 H ARG 17 H ARG 17 -7.945 -0.379 1.647 126 HA ARG 17 HA ARG 17 -9.073 1.371 3.627 127 HB2 ARG 17 2HB ARG 17 -8.895 3.346 2.112 128 HB3 ARG 17 1HB ARG 17 -7.355 2.804 2.744 129 HG2 ARG 17 2HG ARG 17 -6.857 1.685 0.632 130 HG3 ARG 17 1HG ARG 17 -8.415 2.196 -0.009 131 HD2 ARG 17 2HD ARG 17 -6.588 3.632 -0.784 132 HD3 ARG 17 1HD ARG 17 -7.763 4.522 0.171 133 HE ARG 17 HE ARG 17 -6.137 4.203 2.061 134 HH11 ARG 17 1HH1 ARG 17 -4.916 4.207 -1.277 135 HH12 ARG 17 2HH1 ARG 17 -3.507 5.086 -0.883 136 HH21 ARG 17 1HH2 ARG 17 -4.176 5.359 2.571 137 HH22 ARG 17 2HH2 ARG 17 -3.073 5.747 1.338 138 H ARG 18 H ARG 18 -11.166 1.352 3.440 139 HA ARG 18 HA ARG 18 -13.268 1.130 2.722 140 HB2 ARG 18 2HB ARG 18 -12.505 2.880 1.065 141 HB3 ARG 18 1HB ARG 18 -12.183 1.591 -0.070 142 HG2 ARG 18 2HG ARG 18 -14.574 0.998 -0.046 143 HG3 ARG 18 1HG ARG 18 -14.873 2.353 1.049 144 HD2 ARG 18 2HD ARG 18 -14.009 3.899 -0.614 145 HD3 ARG 18 1HD ARG 18 -13.671 2.553 -1.699 146 HE ARG 18 HE ARG 18 -16.404 2.771 -0.837 147 HH11 ARG 18 1HH1 ARG 18 -14.031 3.583 -3.312 148 HH12 ARG 18 2HH1 ARG 18 -15.166 3.997 -4.506 149 HH21 ARG 18 1HH2 ARG 18 -18.000 3.379 -2.484 150 HH22 ARG 18 2HH2 ARG 18 -17.472 3.908 -4.009 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.234 -0.606 2.948 2 HA2 GLY 1 2HA GLY 1 -11.838 -2.851 2.721 3 HA3 GLY 1 1HA GLY 1 -13.080 -2.368 1.581 4 H VAL 2 H VAL 2 -10.175 -0.969 0.674 5 HA VAL 2 HA VAL 2 -9.703 -3.161 -1.211 6 HB VAL 2 HB VAL 2 -9.166 -0.211 -1.639 7 HG11 VAL 2 1HG1 VAL 2 -8.989 -2.536 -3.553 8 HG12 VAL 2 2HG1 VAL 2 -7.636 -1.625 -2.882 9 HG13 VAL 2 3HG1 VAL 2 -8.768 -0.841 -3.985 10 HG21 VAL 2 3HG2 VAL 2 -11.034 -0.235 -3.234 11 HG22 VAL 2 1HG2 VAL 2 -11.578 -0.638 -1.608 12 HG23 VAL 2 2HG2 VAL 2 -11.372 -1.912 -2.814 13 H CYS 3 H CYS 3 -7.833 -4.135 -0.860 14 HA CYS 3 HA CYS 3 -5.819 -2.691 0.607 15 HB2 CYS 3 2HB CYS 3 -6.002 -5.592 -0.098 16 HB3 CYS 3 1HB CYS 3 -4.669 -4.876 0.788 17 H ARG 4 H ARG 4 -4.144 -1.950 -0.178 18 HA ARG 4 HA ARG 4 -3.415 -2.714 -2.914 19 HB2 ARG 4 2HB ARG 4 -4.448 -0.498 -2.948 20 HB3 ARG 4 1HB ARG 4 -3.353 0.046 -1.686 21 HG2 ARG 4 2HG ARG 4 -2.662 0.892 -3.829 22 HG3 ARG 4 1HG ARG 4 -1.462 -0.228 -3.181 23 HD2 ARG 4 2HD ARG 4 -2.452 -2.013 -4.607 24 HD3 ARG 4 1HD ARG 4 -3.518 -0.795 -5.313 25 HE ARG 4 HE ARG 4 -0.820 -0.011 -5.492 26 HH11 ARG 4 1HH1 ARG 4 -3.247 -2.083 -7.003 27 HH12 ARG 4 2HH1 ARG 4 -2.379 -2.287 -8.450 28 HH21 ARG 4 1HH2 ARG 4 0.390 -0.316 -7.553 29 HH22 ARG 4 2HH2 ARG 4 -0.318 -1.281 -8.753 30 H ABA 5 H ABA 5 -1.443 -3.539 -3.001 31 HA ABA 5 HA ABA 5 0.384 -2.940 -0.834 32 HB3 ABA 5 1HB ABA 5 0.697 -4.929 -3.089 33 HB2 ABA 5 2HB ABA 5 0.045 -5.325 -1.501 34 HG1 ABA 5 3HG ABA 5 2.180 -4.667 -0.485 35 HG3 ABA 5 1HG ABA 5 2.824 -4.344 -2.092 36 HG2 ABA 5 2HG ABA 5 2.362 -5.988 -1.636 37 H VAL 6 H VAL 6 1.448 -1.228 -1.065 38 HA VAL 6 HA VAL 6 2.251 -0.289 -3.716 39 HB VAL 6 HB VAL 6 2.432 1.148 -1.052 40 HG11 VAL 6 1HG1 VAL 6 3.963 2.001 -2.720 41 HG12 VAL 6 2HG1 VAL 6 2.672 3.166 -2.421 42 HG13 VAL 6 3HG1 VAL 6 2.643 2.171 -3.877 43 HG21 VAL 6 3HG2 VAL 6 0.445 2.427 -1.748 44 HG22 VAL 6 1HG2 VAL 6 0.089 0.708 -1.553 45 HG23 VAL 6 2HG2 VAL 6 0.289 1.387 -3.166 46 H CYS 7 H CYS 7 4.277 -0.815 -4.280 47 HA CYS 7 HA CYS 7 6.086 -1.419 -2.105 48 HB2 CYS 7 2HB CYS 7 6.411 -2.028 -5.043 49 HB3 CYS 7 1HB CYS 7 7.489 -2.564 -3.761 50 H ARG 8 H ARG 8 7.635 -0.164 -1.530 51 HA ARG 8 HA ARG 8 8.696 1.790 -3.358 52 HB2 ARG 8 2HB ARG 8 8.279 3.659 -1.774 53 HB3 ARG 8 1HB ARG 8 6.826 3.020 -2.524 54 HG2 ARG 8 2HG ARG 8 6.269 1.806 -0.502 55 HG3 ARG 8 1HG ARG 8 7.766 2.347 0.256 56 HD2 ARG 8 2HD ARG 8 5.802 3.638 0.974 57 HD3 ARG 8 1HD ARG 8 7.026 4.635 0.195 58 HE ARG 8 HE ARG 8 5.517 4.256 -1.869 59 HH11 ARG 8 1HH1 ARG 8 4.254 4.581 1.427 60 HH12 ARG 8 2HH1 ARG 8 2.882 5.469 0.945 61 HH21 ARG 8 1HH2 ARG 8 3.661 5.442 -2.515 62 HH22 ARG 8 2HH2 ARG 8 2.521 5.972 -1.364 63 H ARG 9 H ARG 9 10.716 2.244 -2.932 64 HA ARG 9 HA ARG 9 12.758 2.314 -2.003 65 HB2 ARG 9 2HB ARG 9 11.415 3.447 -0.147 66 HB3 ARG 9 1HB ARG 9 11.387 1.888 0.649 67 HG2 ARG 9 2HG ARG 9 13.840 1.960 0.819 68 HG3 ARG 9 1HG ARG 9 13.818 3.569 0.083 69 HD2 ARG 9 2HD ARG 9 12.270 4.297 1.893 70 HD3 ARG 9 1HD ARG 9 12.501 2.729 2.650 71 HE ARG 9 HE ARG 9 14.766 4.476 2.102 72 HH11 ARG 9 1HH1 ARG 9 12.836 2.628 4.402 73 HH12 ARG 9 2HH1 ARG 9 13.732 3.078 5.778 74 HH21 ARG 9 1HH2 ARG 9 15.998 5.147 3.981 75 HH22 ARG 9 2HH2 ARG 9 15.589 4.547 5.522 76 H GLY 10 H GLY 10 11.442 -0.086 -2.812 77 HA2 GLY 10 2HA GLY 10 12.088 -2.283 -3.090 78 HA3 GLY 10 1HA GLY 10 13.383 -2.005 -1.937 79 H VAL 11 H VAL 11 10.250 -1.119 -0.814 80 HA VAL 11 HA VAL 11 9.970 -3.683 0.574 81 HB VAL 11 HB VAL 11 9.621 -0.910 1.787 82 HG11 VAL 11 1HG1 VAL 11 7.943 -2.452 2.655 83 HG12 VAL 11 2HG1 VAL 11 9.136 -2.062 3.898 84 HG13 VAL 11 3HG1 VAL 11 9.210 -3.611 3.057 85 HG21 VAL 11 3HG2 VAL 11 11.958 -1.519 1.632 86 HG22 VAL 11 1HG2 VAL 11 11.628 -3.074 2.398 87 HG23 VAL 11 2HG2 VAL 11 11.431 -1.582 3.318 88 H CYS 12 H CYS 12 7.972 -4.478 0.389 89 HA CYS 12 HA CYS 12 5.964 -2.783 -0.806 90 HB2 CYS 12 2HB CYS 12 5.983 -5.733 -0.329 91 HB3 CYS 12 1HB CYS 12 4.675 -4.866 -1.105 92 H ARG 13 H ARG 13 4.434 -1.959 0.137 93 HA ARG 13 HA ARG 13 3.887 -2.706 2.954 94 HB2 ARG 13 2HB ARG 13 4.885 -0.380 2.349 95 HB3 ARG 13 1HB ARG 13 3.296 -0.054 1.677 96 HG2 ARG 13 2HG ARG 13 3.332 0.923 3.794 97 HG3 ARG 13 1HG ARG 13 2.329 -0.526 3.886 98 HD2 ARG 13 2HD ARG 13 5.236 -0.449 4.719 99 HD3 ARG 13 1HD ARG 13 3.927 -0.137 5.844 100 HE ARG 13 HE ARG 13 3.229 -2.515 4.929 101 HH11 ARG 13 1HH1 ARG 13 6.476 -1.426 5.942 102 HH12 ARG 13 2HH1 ARG 13 6.915 -2.928 6.594 103 HH21 ARG 13 1HH2 ARG 13 3.893 -4.575 5.781 104 HH22 ARG 13 2HH2 ARG 13 5.429 -4.739 6.512 105 H ABA 14 H ABA 14 1.903 -3.655 3.156 106 HA ABA 14 HA ABA 14 -0.072 -3.318 1.051 107 HB3 ABA 14 1HB ABA 14 -0.107 -5.128 3.480 108 HB2 ABA 14 2HB ABA 14 0.457 -5.605 1.883 109 HG1 ABA 14 3HG ABA 14 -2.354 -4.778 2.578 110 HG3 ABA 14 1HG ABA 14 -1.792 -6.426 2.307 111 HG2 ABA 14 2HG ABA 14 -1.786 -5.259 0.983 112 H VAL 15 H VAL 15 -1.049 -1.432 1.279 113 HA VAL 15 HA VAL 15 -2.055 -0.754 3.920 114 HB VAL 15 HB VAL 15 -2.370 1.560 3.063 115 HG11 VAL 15 1HG1 VAL 15 -0.335 1.010 4.237 116 HG12 VAL 15 2HG1 VAL 15 0.001 2.181 2.962 117 HG13 VAL 15 3HG1 VAL 15 0.423 0.486 2.735 118 HG21 VAL 15 3HG2 VAL 15 -1.335 2.247 0.924 119 HG22 VAL 15 1HG2 VAL 15 -2.650 1.098 0.671 120 HG23 VAL 15 2HG2 VAL 15 -0.977 0.557 0.567 121 H CYS 16 H CYS 16 -4.100 -1.092 4.327 122 HA CYS 16 HA CYS 16 -5.850 -1.461 2.050 123 HB2 CYS 16 2HB CYS 16 -6.252 -2.322 4.924 124 HB3 CYS 16 1HB CYS 16 -7.360 -2.640 3.597 125 H ARG 17 H ARG 17 -7.586 -0.238 1.698 126 HA ARG 17 HA ARG 17 -8.519 1.541 3.745 127 HB2 ARG 17 2HB ARG 17 -8.216 3.586 2.348 128 HB3 ARG 17 1HB ARG 17 -6.715 2.900 2.931 129 HG2 ARG 17 2HG ARG 17 -6.422 1.826 0.686 130 HG3 ARG 17 1HG ARG 17 -7.836 2.727 0.140 131 HD2 ARG 17 2HD ARG 17 -5.782 3.907 -0.453 132 HD3 ARG 17 1HD ARG 17 -6.717 4.826 0.726 133 HE ARG 17 HE ARG 17 -4.818 3.130 1.976 134 HH11 ARG 17 1HH1 ARG 17 -5.175 6.300 0.427 135 HH12 ARG 17 2HH1 ARG 17 -3.813 6.965 1.190 136 HH21 ARG 17 1HH2 ARG 17 -2.966 4.050 3.027 137 HH22 ARG 17 2HH2 ARG 17 -2.511 5.652 2.685 138 H ARG 18 H ARG 18 -10.610 1.828 3.560 139 HA ARG 18 HA ARG 18 -12.739 1.789 2.814 140 HB2 ARG 18 2HB ARG 18 -11.888 3.592 1.352 141 HB3 ARG 18 1HB ARG 18 -11.393 2.405 0.169 142 HG2 ARG 18 2HG ARG 18 -13.729 1.873 -0.277 143 HG3 ARG 18 1HG ARG 18 -14.238 3.032 0.948 144 HD2 ARG 18 2HD ARG 18 -14.357 3.961 -1.342 145 HD3 ARG 18 1HD ARG 18 -13.246 4.850 -0.304 146 HE ARG 18 HE ARG 18 -11.827 2.879 -1.687 147 HH11 ARG 18 1HH1 ARG 18 -13.454 5.953 -2.312 148 HH12 ARG 18 2HH1 ARG 18 -12.462 6.403 -3.609 149 HH21 ARG 18 1HH2 ARG 18 -10.435 3.469 -3.427 150 HH22 ARG 18 2HH2 ARG 18 -10.671 4.930 -4.287 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -10.671 -0.639 2.956 2 HA2 GLY 1 2HA GLY 1 -11.127 -2.900 3.321 3 HA3 GLY 1 1HA GLY 1 -12.517 -2.764 2.259 4 H VAL 2 H VAL 2 -9.967 -1.391 0.642 5 HA VAL 2 HA VAL 2 -9.392 -3.921 -0.733 6 HB VAL 2 HB VAL 2 -9.190 -1.083 -1.806 7 HG11 VAL 2 1HG1 VAL 2 -8.860 -2.141 -3.998 8 HG12 VAL 2 2HG1 VAL 2 -8.877 -3.726 -3.227 9 HG13 VAL 2 3HG1 VAL 2 -7.587 -2.582 -2.857 10 HG21 VAL 2 3HG2 VAL 2 -11.253 -3.202 -2.411 11 HG22 VAL 2 1HG2 VAL 2 -11.134 -1.633 -3.206 12 HG23 VAL 2 2HG2 VAL 2 -11.526 -1.727 -1.487 13 H CYS 3 H CYS 3 -7.363 -4.632 -0.417 14 HA CYS 3 HA CYS 3 -5.537 -2.758 0.761 15 HB2 CYS 3 2HB CYS 3 -5.250 -5.691 0.396 16 HB3 CYS 3 1HB CYS 3 -4.166 -4.665 1.319 17 H ARG 4 H ARG 4 -4.300 -1.717 -0.159 18 HA ARG 4 HA ARG 4 -3.569 -2.219 -2.938 19 HB2 ARG 4 2HB ARG 4 -4.696 -0.086 -2.367 20 HB3 ARG 4 1HB ARG 4 -3.383 0.286 -1.261 21 HG2 ARG 4 2HG ARG 4 -3.144 1.515 -3.311 22 HG3 ARG 4 1HG ARG 4 -1.824 0.355 -3.113 23 HD2 ARG 4 2HD ARG 4 -2.940 -1.185 -4.639 24 HD3 ARG 4 1HD ARG 4 -4.287 -0.062 -4.804 25 HE ARG 4 HE ARG 4 -2.040 1.328 -5.508 26 HH11 ARG 4 1HH1 ARG 4 -3.670 -1.619 -6.615 27 HH12 ARG 4 2HH1 ARG 4 -3.266 -1.421 -8.244 28 HH21 ARG 4 1HH2 ARG 4 -1.439 1.589 -7.824 29 HH22 ARG 4 2HH2 ARG 4 -1.963 0.420 -8.945 30 H ABA 5 H ABA 5 -1.549 -2.967 -3.290 31 HA ABA 5 HA ABA 5 0.393 -2.698 -1.181 32 HB3 ABA 5 1HB ABA 5 0.251 -4.915 -2.138 33 HB2 ABA 5 2HB ABA 5 1.815 -4.234 -2.549 34 HG1 ABA 5 3HG ABA 5 -0.545 -4.470 -4.404 35 HG3 ABA 5 1HG ABA 5 0.912 -5.460 -4.421 36 HG2 ABA 5 2HG ABA 5 1.007 -3.744 -4.811 37 H VAL 6 H VAL 6 1.361 -0.883 -1.065 38 HA VAL 6 HA VAL 6 2.300 0.419 -3.527 39 HB VAL 6 HB VAL 6 2.127 1.574 -0.715 40 HG11 VAL 6 1HG1 VAL 6 2.561 3.734 -1.799 41 HG12 VAL 6 2HG1 VAL 6 2.749 2.912 -3.349 42 HG13 VAL 6 3HG1 VAL 6 3.889 2.601 -2.043 43 HG21 VAL 6 3HG2 VAL 6 -0.106 1.192 -1.638 44 HG22 VAL 6 1HG2 VAL 6 0.335 2.075 -3.098 45 HG23 VAL 6 2HG2 VAL 6 0.248 2.916 -1.548 46 H CYS 7 H CYS 7 4.334 -0.052 -3.972 47 HA CYS 7 HA CYS 7 6.023 -0.937 -1.782 48 HB2 CYS 7 2HB CYS 7 6.494 -1.235 -4.747 49 HB3 CYS 7 1HB CYS 7 7.432 -1.982 -3.459 50 H ARG 8 H ARG 8 7.830 0.011 -1.185 51 HA ARG 8 HA ARG 8 8.807 2.293 -2.716 52 HB2 ARG 8 2HB ARG 8 8.095 2.337 0.224 53 HB3 ARG 8 1HB ARG 8 9.067 3.558 -0.569 54 HG2 ARG 8 2HG ARG 8 6.210 2.910 -1.242 55 HG3 ARG 8 1HG ARG 8 6.736 4.247 -0.216 56 HD2 ARG 8 2HD ARG 8 8.018 5.138 -2.148 57 HD3 ARG 8 1HD ARG 8 7.361 3.834 -3.139 58 HE ARG 8 HE ARG 8 5.330 5.276 -1.822 59 HH11 ARG 8 1HH1 ARG 8 7.487 5.431 -4.628 60 HH12 ARG 8 2HH1 ARG 8 6.508 6.506 -5.516 61 HH21 ARG 8 1HH2 ARG 8 3.952 6.718 -3.073 62 HH22 ARG 8 2HH2 ARG 8 4.436 7.236 -4.624 63 H ARG 9 H ARG 9 10.854 1.937 -3.025 64 HA ARG 9 HA ARG 9 12.999 1.334 -2.806 65 HB2 ARG 9 2HB ARG 9 12.766 2.951 -0.900 66 HB3 ARG 9 1HB ARG 9 12.500 1.588 0.169 67 HG2 ARG 9 2HG ARG 9 14.753 0.826 -0.163 68 HG3 ARG 9 1HG ARG 9 15.023 2.027 -1.427 69 HD2 ARG 9 2HD ARG 9 14.426 2.608 1.465 70 HD3 ARG 9 1HD ARG 9 16.004 2.751 0.687 71 HE ARG 9 HE ARG 9 14.443 4.303 -0.835 72 HH11 ARG 9 1HH1 ARG 9 15.127 4.214 2.620 73 HH12 ARG 9 2HH1 ARG 9 14.772 5.850 2.903 74 HH21 ARG 9 1HH2 ARG 9 13.929 6.625 -0.444 75 HH22 ARG 9 2HH2 ARG 9 14.044 7.219 1.143 76 H GLY 10 H GLY 10 11.117 -0.727 -3.058 77 HA2 GLY 10 2HA GLY 10 11.466 -2.999 -3.345 78 HA3 GLY 10 1HA GLY 10 12.824 -2.911 -2.235 79 H VAL 11 H VAL 11 10.341 -1.381 -0.682 80 HA VAL 11 HA VAL 11 9.636 -3.888 0.670 81 HB VAL 11 HB VAL 11 9.555 -1.065 1.775 82 HG11 VAL 11 1HG1 VAL 11 9.154 -3.713 3.169 83 HG12 VAL 11 2HG1 VAL 11 7.909 -2.505 2.833 84 HG13 VAL 11 3HG1 VAL 11 9.211 -2.139 3.962 85 HG21 VAL 11 3HG2 VAL 11 11.866 -1.750 1.450 86 HG22 VAL 11 1HG2 VAL 11 11.561 -3.258 2.315 87 HG23 VAL 11 2HG2 VAL 11 11.483 -1.719 3.171 88 H CYS 12 H CYS 12 7.536 -4.449 0.528 89 HA CYS 12 HA CYS 12 5.829 -2.443 -0.662 90 HB2 CYS 12 2HB CYS 12 5.473 -5.415 -0.581 91 HB3 CYS 12 1HB CYS 12 4.334 -4.290 -1.303 92 H ARG 13 H ARG 13 4.166 -1.650 0.216 93 HA ARG 13 HA ARG 13 3.499 -2.629 2.901 94 HB2 ARG 13 2HB ARG 13 4.430 -0.323 2.820 95 HB3 ARG 13 1HB ARG 13 3.101 0.156 1.783 96 HG2 ARG 13 2HG ARG 13 2.732 0.862 4.064 97 HG3 ARG 13 1HG ARG 13 1.513 -0.308 3.548 98 HD2 ARG 13 2HD ARG 13 2.342 -0.741 5.844 99 HD3 ARG 13 1HD ARG 13 2.638 -2.086 4.751 100 HE ARG 13 HE ARG 13 4.768 -0.158 5.046 101 HH11 ARG 13 1HH1 ARG 13 3.454 -3.280 6.109 102 HH12 ARG 13 2HH1 ARG 13 4.920 -3.866 6.720 103 HH21 ARG 13 1HH2 ARG 13 6.817 -0.965 5.890 104 HH22 ARG 13 2HH2 ARG 13 6.901 -2.510 6.581 105 H ABA 14 H ABA 14 1.628 -3.546 3.079 106 HA ABA 14 HA ABA 14 -0.353 -3.297 0.989 107 HB3 ABA 14 1HB ABA 14 -0.260 -5.054 3.459 108 HB2 ABA 14 2HB ABA 14 0.302 -5.532 1.867 109 HG1 ABA 14 3HG ABA 14 -1.867 -6.481 2.327 110 HG3 ABA 14 1HG ABA 14 -1.974 -5.323 1.000 111 HG2 ABA 14 2HG ABA 14 -2.531 -4.874 2.619 112 H VAL 15 H VAL 15 -1.122 -1.246 1.342 113 HA VAL 15 HA VAL 15 -2.236 -0.667 3.964 114 HB VAL 15 HB VAL 15 -0.819 1.125 3.062 115 HG11 VAL 15 1HG1 VAL 15 -1.420 2.410 1.072 116 HG12 VAL 15 2HG1 VAL 15 -2.732 1.276 0.745 117 HG13 VAL 15 3HG1 VAL 15 -1.057 0.726 0.683 118 HG21 VAL 15 3HG2 VAL 15 -3.736 1.896 3.066 119 HG22 VAL 15 1HG2 VAL 15 -2.384 3.016 3.219 120 HG23 VAL 15 2HG2 VAL 15 -2.673 1.808 4.471 121 H CYS 16 H CYS 16 -4.303 -0.840 4.349 122 HA CYS 16 HA CYS 16 -5.966 -1.442 2.050 123 HB2 CYS 16 2HB CYS 16 -6.565 -1.913 4.971 124 HB3 CYS 16 1HB CYS 16 -7.467 -2.548 3.590 125 H ARG 17 H ARG 17 -7.375 -0.275 1.264 126 HA ARG 17 HA ARG 17 -8.163 2.168 2.662 127 HB2 ARG 17 2HB ARG 17 -7.435 1.824 -0.258 128 HB3 ARG 17 1HB ARG 17 -8.026 3.297 0.484 129 HG2 ARG 17 2HG ARG 17 -5.403 1.956 1.130 130 HG3 ARG 17 1HG ARG 17 -5.604 3.350 0.072 131 HD2 ARG 17 2HD ARG 17 -6.282 3.229 3.010 132 HD3 ARG 17 1HD ARG 17 -4.889 4.042 2.296 133 HE ARG 17 HE ARG 17 -6.901 5.198 1.003 134 HH11 ARG 17 1HH1 ARG 17 -6.358 4.697 4.460 135 HH12 ARG 17 2HH1 ARG 17 -7.316 6.015 4.927 136 HH21 ARG 17 1HH2 ARG 17 -8.200 6.990 1.659 137 HH22 ARG 17 2HH2 ARG 17 -8.385 7.348 3.321 138 H ARG 18 H ARG 18 -10.261 1.904 2.977 139 HA ARG 18 HA ARG 18 -12.450 1.532 2.678 140 HB2 ARG 18 2HB ARG 18 -12.037 3.048 0.704 141 HB3 ARG 18 1HB ARG 18 -11.810 1.626 -0.291 142 HG2 ARG 18 2HG ARG 18 -14.015 2.589 -0.620 143 HG3 ARG 18 1HG ARG 18 -14.122 0.978 0.094 144 HD2 ARG 18 2HD ARG 18 -14.518 1.928 2.276 145 HD3 ARG 18 1HD ARG 18 -14.278 3.559 1.650 146 HE ARG 18 HE ARG 18 -16.335 2.058 0.342 147 HH11 ARG 18 1HH1 ARG 18 -15.650 4.128 3.127 148 HH12 ARG 18 2HH1 ARG 18 -17.220 4.780 3.212 149 HH21 ARG 18 1HH2 ARG 18 -18.540 2.941 0.512 150 HH22 ARG 18 2HH2 ARG 18 -18.855 4.119 1.710 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -11.035 -0.785 3.165 2 HA2 GLY 1 2HA GLY 1 -11.329 -3.079 3.153 3 HA3 GLY 1 1HA GLY 1 -12.801 -2.856 2.221 4 H VAL 2 H VAL 2 -10.128 -1.246 0.896 5 HA VAL 2 HA VAL 2 -9.717 -3.447 -1.001 6 HB VAL 2 HB VAL 2 -9.461 -0.469 -1.527 7 HG11 VAL 2 1HG1 VAL 2 -9.273 -2.812 -3.422 8 HG12 VAL 2 2HG1 VAL 2 -7.936 -1.793 -2.888 9 HG13 VAL 2 3HG1 VAL 2 -9.221 -1.110 -3.883 10 HG21 VAL 2 3HG2 VAL 2 -11.797 -1.079 -1.254 11 HG22 VAL 2 1HG2 VAL 2 -11.605 -2.405 -2.400 12 HG23 VAL 2 2HG2 VAL 2 -11.452 -0.739 -2.949 13 H CYS 3 H CYS 3 -7.804 -4.323 -0.625 14 HA CYS 3 HA CYS 3 -5.775 -2.726 0.612 15 HB2 CYS 3 2HB CYS 3 -5.821 -5.635 -0.080 16 HB3 CYS 3 1HB CYS 3 -4.460 -4.838 0.699 17 H ARG 4 H ARG 4 -4.082 -1.960 -0.224 18 HA ARG 4 HA ARG 4 -3.443 -2.555 -3.024 19 HB2 ARG 4 2HB ARG 4 -4.613 -0.413 -2.882 20 HB3 ARG 4 1HB ARG 4 -3.496 0.139 -1.652 21 HG2 ARG 4 2HG ARG 4 -3.034 1.133 -3.806 22 HG3 ARG 4 1HG ARG 4 -1.688 0.144 -3.247 23 HD2 ARG 4 2HD ARG 4 -2.340 -1.656 -4.719 24 HD3 ARG 4 1HD ARG 4 -3.787 -0.780 -5.213 25 HE ARG 4 HE ARG 4 -2.016 0.947 -5.946 26 HH11 ARG 4 1HH1 ARG 4 -1.687 -2.589 -6.279 27 HH12 ARG 4 2HH1 ARG 4 -0.766 -2.468 -7.704 28 HH21 ARG 4 1HH2 ARG 4 -0.772 1.053 -7.868 29 HH22 ARG 4 2HH2 ARG 4 -0.219 -0.382 -8.618 30 H ABA 5 H ABA 5 -1.445 -3.288 -3.214 31 HA ABA 5 HA ABA 5 0.466 -2.843 -1.078 32 HB3 ABA 5 1HB ABA 5 1.840 -4.521 -2.279 33 HB2 ABA 5 2HB ABA 5 0.598 -4.624 -3.522 34 HG1 ABA 5 3HG ABA 5 -0.991 -5.452 -1.866 35 HG3 ABA 5 1HG ABA 5 0.265 -5.373 -0.631 36 HG2 ABA 5 2HG ABA 5 0.432 -6.484 -1.994 37 H VAL 6 H VAL 6 1.605 -1.098 -1.217 38 HA VAL 6 HA VAL 6 2.551 -0.281 -3.854 39 HB VAL 6 HB VAL 6 1.074 1.423 -2.842 40 HG11 VAL 6 1HG1 VAL 6 1.703 2.639 -0.822 41 HG12 VAL 6 2HG1 VAL 6 3.033 1.508 -0.562 42 HG13 VAL 6 3HG1 VAL 6 1.365 0.938 -0.495 43 HG21 VAL 6 3HG2 VAL 6 3.970 2.268 -2.897 44 HG22 VAL 6 1HG2 VAL 6 2.589 3.366 -2.959 45 HG23 VAL 6 2HG2 VAL 6 2.861 2.217 -4.270 46 H CYS 7 H CYS 7 4.708 -0.181 -4.132 47 HA CYS 7 HA CYS 7 6.217 -1.001 -1.798 48 HB2 CYS 7 2HB CYS 7 6.987 -1.355 -4.703 49 HB3 CYS 7 1HB CYS 7 7.844 -2.006 -3.311 50 H ARG 8 H ARG 8 7.946 0.050 -1.077 51 HA ARG 8 HA ARG 8 8.787 2.451 -2.539 52 HB2 ARG 8 2HB ARG 8 8.361 2.201 0.448 53 HB3 ARG 8 1HB ARG 8 9.044 3.593 -0.364 54 HG2 ARG 8 2HG ARG 8 6.909 3.985 -1.489 55 HG3 ARG 8 1HG ARG 8 6.222 2.574 -0.673 56 HD2 ARG 8 2HD ARG 8 5.599 4.604 0.520 57 HD3 ARG 8 1HD ARG 8 6.686 3.629 1.501 58 HE ARG 8 HE ARG 8 7.976 5.633 -0.098 59 HH11 ARG 8 1HH1 ARG 8 6.494 4.956 3.074 60 HH12 ARG 8 2HH1 ARG 8 7.303 6.216 3.878 61 HH21 ARG 8 1HH2 ARG 8 9.057 7.418 1.024 62 HH22 ARG 8 2HH2 ARG 8 8.772 7.659 2.681 63 H ARG 9 H ARG 9 10.743 1.926 -3.141 64 HA ARG 9 HA ARG 9 12.842 1.239 -3.231 65 HB2 ARG 9 2HB ARG 9 13.077 3.101 -1.597 66 HB3 ARG 9 1HB ARG 9 12.899 1.960 -0.281 67 HG2 ARG 9 2HG ARG 9 15.248 2.645 -0.696 68 HG3 ARG 9 1HG ARG 9 14.993 0.905 -0.838 69 HD2 ARG 9 2HD ARG 9 16.430 1.742 -2.630 70 HD3 ARG 9 1HD ARG 9 14.923 1.100 -3.269 71 HE ARG 9 HE ARG 9 15.028 3.954 -2.787 72 HH11 ARG 9 1HH1 ARG 9 15.272 1.362 -5.190 73 HH12 ARG 9 2HH1 ARG 9 15.074 2.391 -6.530 74 HH21 ARG 9 1HH2 ARG 9 14.751 5.361 -4.658 75 HH22 ARG 9 2HH2 ARG 9 14.775 4.693 -6.222 76 H GLY 10 H GLY 10 11.109 -0.786 -3.074 77 HA2 GLY 10 2HA GLY 10 11.473 -3.091 -3.142 78 HA3 GLY 10 1HA GLY 10 12.859 -2.881 -2.082 79 H VAL 11 H VAL 11 10.536 -1.161 -0.591 80 HA VAL 11 HA VAL 11 9.851 -3.453 1.101 81 HB VAL 11 HB VAL 11 9.610 -0.483 1.699 82 HG11 VAL 11 1HG1 VAL 11 9.390 -2.874 3.521 83 HG12 VAL 11 2HG1 VAL 11 8.068 -1.823 3.004 84 HG13 VAL 11 3HG1 VAL 11 9.348 -1.186 4.038 85 HG21 VAL 11 3HG2 VAL 11 11.592 -0.751 3.121 86 HG22 VAL 11 1HG2 VAL 11 11.955 -1.111 1.432 87 HG23 VAL 11 2HG2 VAL 11 11.736 -2.424 2.591 88 H CYS 12 H CYS 12 7.926 -4.292 0.501 89 HA CYS 12 HA CYS 12 6.012 -2.455 -0.626 90 HB2 CYS 12 2HB CYS 12 5.864 -5.455 -0.484 91 HB3 CYS 12 1HB CYS 12 4.738 -4.404 -1.319 92 H ARG 13 H ARG 13 4.351 -1.757 0.241 93 HA ARG 13 HA ARG 13 3.631 -2.882 2.848 94 HB2 ARG 13 2HB ARG 13 4.638 -0.612 3.028 95 HB3 ARG 13 1HB ARG 13 3.351 -0.001 1.991 96 HG2 ARG 13 2HG ARG 13 2.863 0.504 4.284 97 HG3 ARG 13 1HG ARG 13 1.696 -0.655 3.639 98 HD2 ARG 13 2HD ARG 13 3.004 -2.495 4.688 99 HD3 ARG 13 1HD ARG 13 4.069 -1.276 5.385 100 HE ARG 13 HE ARG 13 1.312 -0.911 6.057 101 HH11 ARG 13 1HH1 ARG 13 4.339 -2.501 6.969 102 HH12 ARG 13 2HH1 ARG 13 3.830 -2.865 8.555 103 HH21 ARG 13 1HH2 ARG 13 0.625 -1.406 8.218 104 HH22 ARG 13 2HH2 ARG 13 1.663 -2.253 9.281 105 H ABA 14 H ABA 14 1.693 -3.722 2.922 106 HA ABA 14 HA ABA 14 -0.242 -3.113 0.854 107 HB3 ABA 14 1HB ABA 14 -0.394 -5.085 3.147 108 HB2 ABA 14 2HB ABA 14 0.180 -5.481 1.534 109 HG1 ABA 14 3HG ABA 14 -2.116 -6.217 1.847 110 HG3 ABA 14 1HG ABA 14 -2.025 -4.949 0.622 111 HG2 ABA 14 2HG ABA 14 -2.603 -4.567 2.246 112 H VAL 15 H VAL 15 -1.083 -1.171 1.264 113 HA VAL 15 HA VAL 15 -2.164 -0.658 3.925 114 HB VAL 15 HB VAL 15 -2.592 1.673 3.115 115 HG11 VAL 15 1HG1 VAL 15 0.255 0.758 2.765 116 HG12 VAL 15 2HG1 VAL 15 -0.524 1.197 4.289 117 HG13 VAL 15 3HG1 VAL 15 -0.259 2.421 3.046 118 HG21 VAL 15 3HG2 VAL 15 -2.834 1.214 0.716 119 HG22 VAL 15 1HG2 VAL 15 -1.121 0.800 0.620 120 HG23 VAL 15 2HG2 VAL 15 -1.610 2.452 1.002 121 H CYS 16 H CYS 16 -4.366 -0.552 4.240 122 HA CYS 16 HA CYS 16 -5.869 -1.263 1.854 123 HB2 CYS 16 2HB CYS 16 -6.495 -2.166 4.675 124 HB3 CYS 16 1HB CYS 16 -7.348 -2.632 3.211 125 H ARG 17 H ARG 17 -7.532 -0.111 1.338 126 HA ARG 17 HA ARG 17 -8.540 1.792 3.307 127 HB2 ARG 17 2HB ARG 17 -8.568 3.590 1.588 128 HB3 ARG 17 1HB ARG 17 -6.955 3.101 2.069 129 HG2 ARG 17 2HG ARG 17 -6.726 1.812 0.009 130 HG3 ARG 17 1HG ARG 17 -8.370 2.257 -0.453 131 HD2 ARG 17 2HD ARG 17 -6.735 3.669 -1.591 132 HD3 ARG 17 1HD ARG 17 -7.714 4.617 -0.477 133 HE ARG 17 HE ARG 17 -5.498 3.857 0.952 134 HH11 ARG 17 1HH1 ARG 17 -6.125 5.859 -1.897 135 HH12 ARG 17 2HH1 ARG 17 -4.690 6.765 -1.735 136 HH21 ARG 17 1HH2 ARG 17 -3.594 5.082 1.174 137 HH22 ARG 17 2HH2 ARG 17 -3.185 6.295 0.045 138 H ARG 18 H ARG 18 -10.612 1.752 3.447 139 HA ARG 18 HA ARG 18 -12.793 1.416 3.079 140 HB2 ARG 18 2HB ARG 18 -12.341 3.122 1.251 141 HB3 ARG 18 1HB ARG 18 -12.170 1.790 0.124 142 HG2 ARG 18 2HG ARG 18 -14.357 2.769 -0.090 143 HG3 ARG 18 1HG ARG 18 -14.514 1.151 0.599 144 HD2 ARG 18 2HD ARG 18 -14.648 2.162 2.842 145 HD3 ARG 18 1HD ARG 18 -14.584 3.762 2.099 146 HE ARG 18 HE ARG 18 -16.651 2.080 1.095 147 HH11 ARG 18 1HH1 ARG 18 -15.802 4.432 3.613 148 HH12 ARG 18 2HH1 ARG 18 -17.424 4.836 3.969 149 HH21 ARG 18 1HH2 ARG 18 -18.850 2.612 1.614 150 HH22 ARG 18 2HH2 ARG 18 -19.205 3.766 2.807 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.447 -0.442 2.313 2 HA2 GLY 1 2HA GLY 1 -12.208 -2.646 2.238 3 HA3 GLY 1 1HA GLY 1 -13.251 -2.204 0.896 4 H VAL 2 H VAL 2 -10.094 -1.133 0.363 5 HA VAL 2 HA VAL 2 -9.538 -3.475 -1.321 6 HB VAL 2 HB VAL 2 -8.932 -0.571 -1.968 7 HG11 VAL 2 1HG1 VAL 2 -7.303 -2.076 -2.939 8 HG12 VAL 2 2HG1 VAL 2 -8.328 -1.400 -4.203 9 HG13 VAL 2 3HG1 VAL 2 -8.591 -3.055 -3.643 10 HG21 VAL 2 3HG2 VAL 2 -11.324 -0.955 -2.125 11 HG22 VAL 2 1HG2 VAL 2 -11.058 -2.369 -3.144 12 HG23 VAL 2 2HG2 VAL 2 -10.637 -0.762 -3.739 13 H CYS 3 H CYS 3 -7.490 -4.248 -1.111 14 HA CYS 3 HA CYS 3 -5.766 -2.722 0.637 15 HB2 CYS 3 2HB CYS 3 -5.632 -5.631 -0.076 16 HB3 CYS 3 1HB CYS 3 -4.485 -4.809 0.960 17 H ARG 4 H ARG 4 -4.099 -1.847 -0.006 18 HA ARG 4 HA ARG 4 -3.139 -2.257 -2.763 19 HB2 ARG 4 2HB ARG 4 -4.078 -0.043 -2.426 20 HB3 ARG 4 1HB ARG 4 -3.155 0.150 -0.956 21 HG2 ARG 4 2HG ARG 4 -2.176 1.524 -2.632 22 HG3 ARG 4 1HG ARG 4 -1.091 0.192 -2.269 23 HD2 ARG 4 2HD ARG 4 -2.986 0.146 -4.604 24 HD3 ARG 4 1HD ARG 4 -1.392 0.879 -4.723 25 HE ARG 4 HE ARG 4 -0.571 -1.411 -4.044 26 HH11 ARG 4 1HH1 ARG 4 -3.595 -0.950 -5.894 27 HH12 ARG 4 2HH1 ARG 4 -3.414 -2.406 -6.756 28 HH21 ARG 4 1HH2 ARG 4 -0.363 -3.435 -5.353 29 HH22 ARG 4 2HH2 ARG 4 -1.592 -3.804 -6.452 30 H ABA 5 H ABA 5 -1.279 -3.346 -2.732 31 HA ABA 5 HA ABA 5 0.520 -2.942 -0.529 32 HB3 ABA 5 1HB ABA 5 0.476 -5.206 -1.503 33 HB2 ABA 5 2HB ABA 5 2.067 -4.499 -1.718 34 HG1 ABA 5 3HG ABA 5 1.386 -5.739 -3.689 35 HG3 ABA 5 1HG ABA 5 1.581 -4.022 -4.040 36 HG2 ABA 5 2HG ABA 5 -0.034 -4.703 -3.858 37 H VAL 6 H VAL 6 1.492 -1.128 -0.407 38 HA VAL 6 HA VAL 6 2.259 0.192 -2.861 39 HB VAL 6 HB VAL 6 0.932 1.612 -1.355 40 HG11 VAL 6 1HG1 VAL 6 1.439 0.618 0.793 41 HG12 VAL 6 2HG1 VAL 6 1.742 2.356 0.829 42 HG13 VAL 6 3HG1 VAL 6 3.090 1.227 0.700 43 HG21 VAL 6 3HG2 VAL 6 3.814 2.482 -1.491 44 HG22 VAL 6 1HG2 VAL 6 2.441 3.550 -1.181 45 HG23 VAL 6 2HG2 VAL 6 2.583 2.718 -2.730 46 H CYS 7 H CYS 7 4.159 -0.199 -3.517 47 HA CYS 7 HA CYS 7 6.113 -1.054 -1.573 48 HB2 CYS 7 2HB CYS 7 6.239 -1.277 -4.586 49 HB3 CYS 7 1HB CYS 7 7.341 -2.027 -3.429 50 H ARG 8 H ARG 8 7.748 0.004 -1.029 51 HA ARG 8 HA ARG 8 8.261 2.529 -2.409 52 HB2 ARG 8 2HB ARG 8 8.369 1.880 0.530 53 HB3 ARG 8 1HB ARG 8 8.956 3.375 -0.172 54 HG2 ARG 8 2HG ARG 8 6.670 3.865 -0.959 55 HG3 ARG 8 1HG ARG 8 6.114 2.380 -0.189 56 HD2 ARG 8 2HD ARG 8 5.677 4.305 1.235 57 HD3 ARG 8 1HD ARG 8 6.852 3.216 1.964 58 HE ARG 8 HE ARG 8 8.592 4.788 1.146 59 HH11 ARG 8 1HH1 ARG 8 5.305 6.043 1.597 60 HH12 ARG 8 2HH1 ARG 8 5.806 7.585 2.080 61 HH21 ARG 8 1HH2 ARG 8 9.279 6.929 1.822 62 HH22 ARG 8 2HH2 ARG 8 8.114 8.115 2.203 63 H ARG 9 H ARG 9 10.039 2.190 -3.478 64 HA ARG 9 HA ARG 9 12.090 1.510 -4.109 65 HB2 ARG 9 2HB ARG 9 12.560 3.416 -2.637 66 HB3 ARG 9 1HB ARG 9 12.637 2.355 -1.254 67 HG2 ARG 9 2HG ARG 9 14.658 1.310 -2.169 68 HG3 ARG 9 1HG ARG 9 14.568 2.374 -3.574 69 HD2 ARG 9 2HD ARG 9 16.161 3.174 -1.854 70 HD3 ARG 9 1HD ARG 9 14.859 4.324 -2.181 71 HE ARG 9 HE ARG 9 14.014 2.749 -0.088 72 HH11 ARG 9 1HH1 ARG 9 16.674 5.036 -0.595 73 HH12 ARG 9 2HH1 ARG 9 16.741 5.502 1.045 74 HH21 ARG 9 1HH2 ARG 9 14.098 3.425 2.116 75 HH22 ARG 9 2HH2 ARG 9 15.249 4.582 2.600 76 H GLY 10 H GLY 10 10.669 -0.657 -3.709 77 HA2 GLY 10 2HA GLY 10 11.271 -2.904 -3.891 78 HA3 GLY 10 1HA GLY 10 12.764 -2.549 -3.039 79 H VAL 11 H VAL 11 10.361 -1.209 -1.192 80 HA VAL 11 HA VAL 11 10.078 -3.712 0.323 81 HB VAL 11 HB VAL 11 10.156 -0.883 1.449 82 HG11 VAL 11 1HG1 VAL 11 10.133 -1.961 3.657 83 HG12 VAL 11 2HG1 VAL 11 9.986 -3.536 2.887 84 HG13 VAL 11 3HG1 VAL 11 8.680 -2.354 2.737 85 HG21 VAL 11 3HG2 VAL 11 12.359 -1.662 0.717 86 HG22 VAL 11 1HG2 VAL 11 12.168 -3.125 1.681 87 HG23 VAL 11 2HG2 VAL 11 12.279 -1.552 2.476 88 H CYS 12 H CYS 12 8.078 -4.449 0.256 89 HA CYS 12 HA CYS 12 5.983 -2.610 -0.509 90 HB2 CYS 12 2HB CYS 12 5.977 -5.590 -0.412 91 HB3 CYS 12 1HB CYS 12 4.627 -4.603 -0.941 92 H ARG 13 H ARG 13 4.533 -1.902 0.610 93 HA ARG 13 HA ARG 13 4.059 -2.987 3.311 94 HB2 ARG 13 2HB ARG 13 5.071 -0.707 3.242 95 HB3 ARG 13 1HB ARG 13 3.703 -0.150 2.302 96 HG2 ARG 13 2HG ARG 13 3.522 0.533 4.610 97 HG3 ARG 13 1HG ARG 13 2.222 -0.575 4.161 98 HD2 ARG 13 2HD ARG 13 3.206 -1.047 6.400 99 HD3 ARG 13 1HD ARG 13 3.320 -2.403 5.282 100 HE ARG 13 HE ARG 13 5.647 -0.835 5.127 101 HH11 ARG 13 1HH1 ARG 13 4.084 -3.138 7.340 102 HH12 ARG 13 2HH1 ARG 13 5.555 -3.659 8.016 103 HH21 ARG 13 1HH2 ARG 13 7.612 -1.581 6.016 104 HH22 ARG 13 2HH2 ARG 13 7.624 -2.788 7.228 105 H ABA 14 H ABA 14 2.046 -3.807 3.588 106 HA ABA 14 HA ABA 14 0.079 -3.341 1.497 107 HB3 ABA 14 1HB ABA 14 0.049 -5.294 3.811 108 HB2 ABA 14 2HB ABA 14 0.539 -5.671 2.164 109 HG1 ABA 14 3HG ABA 14 -1.727 -5.214 1.376 110 HG3 ABA 14 1HG ABA 14 -2.219 -4.835 3.028 111 HG2 ABA 14 2HG ABA 14 -1.710 -6.473 2.611 112 H VAL 15 H VAL 15 -1.200 -1.650 1.756 113 HA VAL 15 HA VAL 15 -2.240 -1.123 4.430 114 HB VAL 15 HB VAL 15 -2.555 1.245 3.725 115 HG11 VAL 15 1HG1 VAL 15 0.288 0.277 3.534 116 HG12 VAL 15 2HG1 VAL 15 -0.585 0.663 5.017 117 HG13 VAL 15 3HG1 VAL 15 -0.201 1.939 3.862 118 HG21 VAL 15 3HG2 VAL 15 -2.639 0.956 1.302 119 HG22 VAL 15 1HG2 VAL 15 -0.943 0.470 1.291 120 HG23 VAL 15 2HG2 VAL 15 -1.385 2.118 1.736 121 H CYS 16 H CYS 16 -4.431 -1.038 4.622 122 HA CYS 16 HA CYS 16 -5.876 -1.485 2.129 123 HB2 CYS 16 2HB CYS 16 -6.652 -2.425 4.903 124 HB3 CYS 16 1HB CYS 16 -7.551 -2.740 3.423 125 H ARG 17 H ARG 17 -7.666 -0.346 1.668 126 HA ARG 17 HA ARG 17 -8.830 1.488 3.537 127 HB2 ARG 17 2HB ARG 17 -8.370 3.497 2.163 128 HB3 ARG 17 1HB ARG 17 -6.917 2.840 2.906 129 HG2 ARG 17 2HG ARG 17 -6.244 1.848 0.807 130 HG3 ARG 17 1HG ARG 17 -7.751 2.359 0.050 131 HD2 ARG 17 2HD ARG 17 -5.912 3.829 -0.563 132 HD3 ARG 17 1HD ARG 17 -7.125 4.691 0.379 133 HE ARG 17 HE ARG 17 -5.439 4.036 2.291 134 HH11 ARG 17 1HH1 ARG 17 -4.734 5.266 -0.942 135 HH12 ARG 17 2HH1 ARG 17 -3.351 6.144 -0.480 136 HH21 ARG 17 1HH2 ARG 17 -3.532 5.291 2.947 137 HH22 ARG 17 2HH2 ARG 17 -2.675 6.158 1.755 138 H ARG 18 H ARG 18 -10.870 1.949 2.910 139 HA ARG 18 HA ARG 18 -12.796 2.038 1.731 140 HB2 ARG 18 2HB ARG 18 -11.418 3.529 0.241 141 HB3 ARG 18 1HB ARG 18 -10.977 2.135 -0.707 142 HG2 ARG 18 2HG ARG 18 -12.638 3.453 -1.874 143 HG3 ARG 18 1HG ARG 18 -13.329 1.895 -1.423 144 HD2 ARG 18 2HD ARG 18 -13.707 4.396 0.211 145 HD3 ARG 18 1HD ARG 18 -14.798 3.941 -1.094 146 HE ARG 18 HE ARG 18 -14.920 1.761 0.303 147 HH11 ARG 18 1HH1 ARG 18 -14.829 5.065 1.594 148 HH12 ARG 18 2HH1 ARG 18 -15.811 4.715 2.933 149 HH21 ARG 18 1HH2 ARG 18 -16.278 1.292 2.156 150 HH22 ARG 18 2HH2 ARG 18 -16.660 2.510 3.265 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -10.718 -1.189 3.207 2 HA2 GLY 1 2HA GLY 1 -10.960 -3.546 3.015 3 HA3 GLY 1 1HA GLY 1 -12.429 -3.286 2.090 4 H VAL 2 H VAL 2 -10.415 -1.178 0.673 5 HA VAL 2 HA VAL 2 -9.726 -3.130 -1.389 6 HB VAL 2 HB VAL 2 -9.579 -0.090 -1.457 7 HG11 VAL 2 1HG1 VAL 2 -9.313 -2.097 -3.700 8 HG12 VAL 2 2HG1 VAL 2 -8.011 -1.118 -3.020 9 HG13 VAL 2 3HG1 VAL 2 -9.338 -0.343 -3.889 10 HG21 VAL 2 3HG2 VAL 2 -11.648 -1.945 -2.636 11 HG22 VAL 2 1HG2 VAL 2 -11.576 -0.200 -2.889 12 HG23 VAL 2 2HG2 VAL 2 -11.881 -0.846 -1.277 13 H CYS 3 H CYS 3 -7.737 -3.948 -1.279 14 HA CYS 3 HA CYS 3 -5.866 -2.441 0.320 15 HB2 CYS 3 2HB CYS 3 -5.835 -5.332 -0.416 16 HB3 CYS 3 1HB CYS 3 -4.561 -4.541 0.494 17 H ARG 4 H ARG 4 -4.204 -1.575 -0.388 18 HA ARG 4 HA ARG 4 -3.394 -2.059 -3.180 19 HB2 ARG 4 2HB ARG 4 -4.235 0.233 -2.757 20 HB3 ARG 4 1HB ARG 4 -3.022 0.428 -1.494 21 HG2 ARG 4 2HG ARG 4 -2.327 1.581 -3.489 22 HG3 ARG 4 1HG ARG 4 -1.261 0.216 -3.153 23 HD2 ARG 4 2HD ARG 4 -1.770 0.339 -5.529 24 HD3 ARG 4 1HD ARG 4 -2.465 -1.123 -4.831 25 HE ARG 4 HE ARG 4 -4.062 1.305 -5.219 26 HH11 ARG 4 1HH1 ARG 4 -3.649 -2.172 -5.742 27 HH12 ARG 4 2HH1 ARG 4 -5.132 -2.355 -6.552 28 HH21 ARG 4 1HH2 ARG 4 -6.053 1.050 -6.331 29 HH22 ARG 4 2HH2 ARG 4 -6.516 -0.480 -6.947 30 H ABA 5 H ABA 5 -1.493 -3.040 -3.400 31 HA ABA 5 HA ABA 5 0.344 -3.161 -1.165 32 HB3 ABA 5 1HB ABA 5 0.539 -4.399 -3.929 33 HB2 ABA 5 2HB ABA 5 -0.135 -5.204 -2.517 34 HG1 ABA 5 3HG ABA 5 2.723 -4.304 -2.832 35 HG3 ABA 5 1HG ABA 5 2.132 -5.963 -2.955 36 HG2 ABA 5 2HG ABA 5 2.046 -5.105 -1.415 37 H VAL 6 H VAL 6 1.406 -1.289 -0.924 38 HA VAL 6 HA VAL 6 2.324 0.165 -3.259 39 HB VAL 6 HB VAL 6 2.295 0.922 -0.320 40 HG11 VAL 6 1HG1 VAL 6 2.975 2.606 -2.732 41 HG12 VAL 6 2HG1 VAL 6 4.104 2.063 -1.490 42 HG13 VAL 6 3HG1 VAL 6 2.814 3.196 -1.082 43 HG21 VAL 6 3HG2 VAL 6 0.543 1.847 -2.592 44 HG22 VAL 6 1HG2 VAL 6 0.493 2.458 -0.940 45 HG23 VAL 6 2HG2 VAL 6 0.059 0.781 -1.275 46 H CYS 7 H CYS 7 4.217 -0.620 -3.958 47 HA CYS 7 HA CYS 7 6.172 -1.375 -1.975 48 HB2 CYS 7 2HB CYS 7 6.214 -1.789 -4.979 49 HB3 CYS 7 1HB CYS 7 7.464 -2.337 -3.871 50 H ARG 8 H ARG 8 7.876 -0.226 -1.530 51 HA ARG 8 HA ARG 8 8.881 1.732 -3.367 52 HB2 ARG 8 2HB ARG 8 8.781 3.576 -1.650 53 HB3 ARG 8 1HB ARG 8 7.238 3.127 -2.356 54 HG2 ARG 8 2HG ARG 8 6.659 1.872 -0.367 55 HG3 ARG 8 1HG ARG 8 8.243 2.223 0.330 56 HD2 ARG 8 2HD ARG 8 6.214 4.308 -0.450 57 HD3 ARG 8 1HD ARG 8 6.431 3.696 1.190 58 HE ARG 8 HE ARG 8 8.895 4.491 0.541 59 HH11 ARG 8 1HH1 ARG 8 5.796 6.174 0.277 60 HH12 ARG 8 2HH1 ARG 8 6.473 7.725 0.536 61 HH21 ARG 8 1HH2 ARG 8 9.787 6.616 0.962 62 HH22 ARG 8 2HH2 ARG 8 8.750 7.969 0.946 63 H ARG 9 H ARG 9 10.981 1.774 -3.251 64 HA ARG 9 HA ARG 9 13.130 1.562 -2.596 65 HB2 ARG 9 2HB ARG 9 12.334 3.195 -0.833 66 HB3 ARG 9 1HB ARG 9 12.064 1.836 0.236 67 HG2 ARG 9 2HG ARG 9 14.118 2.911 0.842 68 HG3 ARG 9 1HG ARG 9 14.488 1.340 0.132 69 HD2 ARG 9 2HD ARG 9 15.045 2.418 -1.986 70 HD3 ARG 9 1HD ARG 9 14.625 3.987 -1.308 71 HE ARG 9 HE ARG 9 16.537 2.702 0.304 72 HH11 ARG 9 1HH1 ARG 9 16.364 4.398 -2.814 73 HH12 ARG 9 2HH1 ARG 9 17.985 4.937 -2.744 74 HH21 ARG 9 1HH2 ARG 9 18.735 3.415 0.351 75 HH22 ARG 9 2HH2 ARG 9 19.348 4.377 -0.916 76 H GLY 10 H GLY 10 11.497 -0.723 -2.939 77 HA2 GLY 10 2HA GLY 10 11.938 -3.008 -2.956 78 HA3 GLY 10 1HA GLY 10 13.273 -2.721 -1.845 79 H VAL 11 H VAL 11 10.432 -1.273 -0.760 80 HA VAL 11 HA VAL 11 9.927 -3.519 1.070 81 HB VAL 11 HB VAL 11 9.388 -0.581 1.544 82 HG11 VAL 11 1HG1 VAL 11 9.074 -1.217 3.877 83 HG12 VAL 11 2HG1 VAL 11 9.362 -2.904 3.462 84 HG13 VAL 11 3HG1 VAL 11 7.950 -2.064 2.814 85 HG21 VAL 11 3HG2 VAL 11 11.314 -0.576 3.078 86 HG22 VAL 11 1HG2 VAL 11 11.799 -0.901 1.415 87 HG23 VAL 11 2HG2 VAL 11 11.706 -2.220 2.579 88 H CYS 12 H CYS 12 7.968 -4.413 0.676 89 HA CYS 12 HA CYS 12 6.026 -2.709 -0.627 90 HB2 CYS 12 2HB CYS 12 6.064 -5.671 -0.356 91 HB3 CYS 12 1HB CYS 12 4.767 -4.775 -1.121 92 H ARG 13 H ARG 13 4.637 -1.866 0.400 93 HA ARG 13 HA ARG 13 3.782 -2.989 3.003 94 HB2 ARG 13 2HB ARG 13 5.093 -0.845 3.107 95 HB3 ARG 13 1HB ARG 13 3.791 -0.090 2.202 96 HG2 ARG 13 2HG ARG 13 3.572 0.445 4.529 97 HG3 ARG 13 1HG ARG 13 2.239 -0.593 4.007 98 HD2 ARG 13 2HD ARG 13 3.255 -2.509 5.016 99 HD3 ARG 13 1HD ARG 13 4.728 -1.623 5.379 100 HE ARG 13 HE ARG 13 2.109 -1.187 6.648 101 HH11 ARG 13 1HH1 ARG 13 5.646 -0.978 6.773 102 HH12 ARG 13 2HH1 ARG 13 5.701 -0.652 8.438 103 HH21 ARG 13 1HH2 ARG 13 2.200 -0.725 8.904 104 HH22 ARG 13 2HH2 ARG 13 3.693 -0.502 9.689 105 H ABA 14 H ABA 14 1.658 -3.431 3.135 106 HA ABA 14 HA ABA 14 -0.015 -2.623 0.906 107 HB3 ABA 14 1HB ABA 14 -0.567 -4.577 3.159 108 HB2 ABA 14 2HB ABA 14 0.025 -5.009 1.560 109 HG1 ABA 14 3HG ABA 14 -2.045 -4.216 0.558 110 HG3 ABA 14 1HG ABA 14 -2.646 -3.761 2.152 111 HG2 ABA 14 2HG ABA 14 -2.351 -5.457 1.773 112 H VAL 15 H VAL 15 -1.562 -1.165 1.093 113 HA VAL 15 HA VAL 15 -2.404 -0.406 3.769 114 HB VAL 15 HB VAL 15 -0.939 1.396 2.902 115 HG11 VAL 15 1HG1 VAL 15 -1.604 2.805 1.017 116 HG12 VAL 15 2HG1 VAL 15 -2.926 1.693 0.665 117 HG13 VAL 15 3HG1 VAL 15 -1.253 1.147 0.523 118 HG21 VAL 15 3HG2 VAL 15 -3.837 2.213 3.073 119 HG22 VAL 15 1HG2 VAL 15 -2.452 3.290 3.261 120 HG23 VAL 15 2HG2 VAL 15 -2.725 1.999 4.427 121 H CYS 16 H CYS 16 -4.448 -0.722 4.072 122 HA CYS 16 HA CYS 16 -6.062 -1.124 1.701 123 HB2 CYS 16 2HB CYS 16 -6.601 -2.047 4.528 124 HB3 CYS 16 1HB CYS 16 -7.550 -2.465 3.105 125 H ARG 17 H ARG 17 -7.832 -0.035 1.306 126 HA ARG 17 HA ARG 17 -8.672 2.013 3.246 127 HB2 ARG 17 2HB ARG 17 -8.361 2.342 0.253 128 HB3 ARG 17 1HB ARG 17 -9.184 3.487 1.288 129 HG2 ARG 17 2HG ARG 17 -7.081 3.932 2.467 130 HG3 ARG 17 1HG ARG 17 -6.259 2.773 1.411 131 HD2 ARG 17 2HD ARG 17 -6.808 4.097 -0.536 132 HD3 ARG 17 1HD ARG 17 -7.740 5.215 0.453 133 HE ARG 17 HE ARG 17 -5.119 5.120 1.421 134 HH11 ARG 17 1HH1 ARG 17 -6.873 6.257 -1.421 135 HH12 ARG 17 2HH1 ARG 17 -5.803 7.526 -1.785 136 HH21 ARG 17 1HH2 ARG 17 -3.639 6.835 0.956 137 HH22 ARG 17 2HH2 ARG 17 -3.883 7.863 -0.380 138 H ARG 18 H ARG 18 -10.569 1.287 3.873 139 HA ARG 18 HA ARG 18 -12.746 0.683 3.909 140 HB2 ARG 18 2HB ARG 18 -12.782 2.632 2.200 141 HB3 ARG 18 1HB ARG 18 -12.903 1.388 0.977 142 HG2 ARG 18 2HG ARG 18 -15.095 2.205 1.384 143 HG3 ARG 18 1HG ARG 18 -14.997 0.599 2.110 144 HD2 ARG 18 2HD ARG 18 -16.141 2.228 3.574 145 HD3 ARG 18 1HD ARG 18 -14.677 1.585 4.313 146 HE ARG 18 HE ARG 18 -13.572 3.686 3.546 147 HH11 ARG 18 1HH1 ARG 18 -17.056 3.710 4.112 148 HH12 ARG 18 2HH1 ARG 18 -17.119 5.378 4.422 149 HH21 ARG 18 1HH2 ARG 18 -13.651 5.895 3.966 150 HH22 ARG 18 2HH2 ARG 18 -15.115 6.685 4.349 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -11.673 -1.398 2.668 2 HA2 GLY 1 2HA GLY 1 -12.096 -3.584 2.031 3 HA3 GLY 1 1HA GLY 1 -13.187 -2.994 0.790 4 H VAL 2 H VAL 2 -10.432 -1.221 0.423 5 HA VAL 2 HA VAL 2 -9.533 -3.044 -1.686 6 HB VAL 2 HB VAL 2 -9.221 -0.028 -1.514 7 HG11 VAL 2 1HG1 VAL 2 -7.422 -1.058 -2.779 8 HG12 VAL 2 2HG1 VAL 2 -8.495 -0.164 -3.862 9 HG13 VAL 2 3HG1 VAL 2 -8.591 -1.924 -3.774 10 HG21 VAL 2 3HG2 VAL 2 -10.881 0.085 -3.329 11 HG22 VAL 2 1HG2 VAL 2 -11.557 -0.628 -1.862 12 HG23 VAL 2 2HG2 VAL 2 -11.104 -1.662 -3.218 13 H CYS 3 H CYS 3 -7.520 -3.832 -1.483 14 HA CYS 3 HA CYS 3 -5.897 -2.582 0.561 15 HB2 CYS 3 2HB CYS 3 -5.686 -5.313 -0.608 16 HB3 CYS 3 1HB CYS 3 -4.574 -4.664 0.585 17 H ARG 4 H ARG 4 -4.451 -1.430 0.013 18 HA ARG 4 HA ARG 4 -3.400 -1.458 -2.742 19 HB2 ARG 4 2HB ARG 4 -4.398 0.674 -1.838 20 HB3 ARG 4 1HB ARG 4 -3.110 0.688 -0.639 21 HG2 ARG 4 2HG ARG 4 -2.526 2.192 -2.384 22 HG3 ARG 4 1HG ARG 4 -1.460 0.784 -2.432 23 HD2 ARG 4 2HD ARG 4 -2.166 1.412 -4.693 24 HD3 ARG 4 1HD ARG 4 -2.825 -0.165 -4.264 25 HE ARG 4 HE ARG 4 -4.609 1.894 -3.564 26 HH11 ARG 4 1HH1 ARG 4 -3.495 0.069 -6.399 27 HH12 ARG 4 2HH1 ARG 4 -4.882 0.401 -7.325 28 HH21 ARG 4 1HH2 ARG 4 -6.516 2.349 -4.844 29 HH22 ARG 4 2HH2 ARG 4 -6.633 1.717 -6.427 30 H ABA 5 H ABA 5 -1.367 -2.116 -3.069 31 HA ABA 5 HA ABA 5 0.487 -2.106 -0.818 32 HB3 ABA 5 1HB ABA 5 0.184 -4.236 -2.944 33 HB2 ABA 5 2HB ABA 5 -0.254 -4.409 -1.247 34 HG1 ABA 5 3HG ABA 5 1.871 -5.490 -1.770 35 HG3 ABA 5 1HG ABA 5 2.079 -4.179 -0.602 36 HG2 ABA 5 2HG ABA 5 2.528 -3.939 -2.289 37 H VAL 6 H VAL 6 1.853 -0.534 -1.316 38 HA VAL 6 HA VAL 6 2.867 -0.465 -4.058 39 HB VAL 6 HB VAL 6 3.529 1.875 -3.689 40 HG11 VAL 6 1HG1 VAL 6 0.603 1.398 -3.154 41 HG12 VAL 6 2HG1 VAL 6 1.387 1.490 -4.733 42 HG13 VAL 6 3HG1 VAL 6 1.296 2.921 -3.707 43 HG21 VAL 6 3HG2 VAL 6 2.105 1.660 -1.028 44 HG22 VAL 6 1HG2 VAL 6 2.708 3.158 -1.741 45 HG23 VAL 6 2HG2 VAL 6 3.834 1.882 -1.273 46 H CYS 7 H CYS 7 5.110 -0.510 -4.299 47 HA CYS 7 HA CYS 7 6.445 -1.029 -1.778 48 HB2 CYS 7 2HB CYS 7 7.192 -2.246 -4.456 49 HB3 CYS 7 1HB CYS 7 7.891 -2.628 -2.889 50 H ARG 8 H ARG 8 8.267 -0.042 -1.288 51 HA ARG 8 HA ARG 8 9.208 1.945 -3.236 52 HB2 ARG 8 2HB ARG 8 8.996 2.300 -0.250 53 HB3 ARG 8 1HB ARG 8 9.531 3.506 -1.409 54 HG2 ARG 8 2HG ARG 8 7.276 3.511 -2.400 55 HG3 ARG 8 1HG ARG 8 6.756 2.360 -1.168 56 HD2 ARG 8 2HD ARG 8 6.113 4.557 -0.468 57 HD3 ARG 8 1HD ARG 8 7.432 4.012 0.563 58 HE ARG 8 HE ARG 8 8.439 5.451 -1.640 59 HH11 ARG 8 1HH1 ARG 8 6.963 5.900 1.536 60 HH12 ARG 8 2HH1 ARG 8 7.355 7.549 1.643 61 HH21 ARG 8 1HH2 ARG 8 8.998 7.723 -1.499 62 HH22 ARG 8 2HH2 ARG 8 8.503 8.604 -0.132 63 H ARG 9 H ARG 9 11.114 1.265 -3.813 64 HA ARG 9 HA ARG 9 13.241 0.541 -3.830 65 HB2 ARG 9 2HB ARG 9 13.445 2.387 -2.043 66 HB3 ARG 9 1HB ARG 9 13.341 1.102 -0.849 67 HG2 ARG 9 2HG ARG 9 15.635 1.567 -1.095 68 HG3 ARG 9 1HG ARG 9 15.339 0.070 -1.977 69 HD2 ARG 9 2HD ARG 9 15.138 1.426 -4.067 70 HD3 ARG 9 1HD ARG 9 15.641 2.834 -3.132 71 HE ARG 9 HE ARG 9 17.243 0.419 -3.468 72 HH11 ARG 9 1HH1 ARG 9 17.086 3.977 -3.224 73 HH12 ARG 9 2HH1 ARG 9 18.755 4.170 -3.499 74 HH21 ARG 9 1HH2 ARG 9 19.510 0.744 -3.832 75 HH22 ARG 9 2HH2 ARG 9 20.127 2.341 -3.825 76 H GLY 10 H GLY 10 11.077 -1.210 -3.351 77 HA2 GLY 10 2HA GLY 10 11.101 -3.559 -3.341 78 HA3 GLY 10 1HA GLY 10 12.577 -3.516 -2.386 79 H VAL 11 H VAL 11 10.821 -1.359 -0.794 80 HA VAL 11 HA VAL 11 9.968 -3.410 1.099 81 HB VAL 11 HB VAL 11 10.261 -0.414 1.525 82 HG11 VAL 11 1HG1 VAL 11 8.621 -1.414 3.034 83 HG12 VAL 11 2HG1 VAL 11 10.084 -0.952 3.912 84 HG13 VAL 11 3HG1 VAL 11 9.795 -2.643 3.509 85 HG21 VAL 11 3HG2 VAL 11 12.420 -1.485 1.123 86 HG22 VAL 11 1HG2 VAL 11 12.061 -2.680 2.371 87 HG23 VAL 11 2HG2 VAL 11 12.269 -0.986 2.811 88 H CYS 12 H CYS 12 7.947 -3.981 1.018 89 HA CYS 12 HA CYS 12 6.125 -2.272 -0.373 90 HB2 CYS 12 2HB CYS 12 5.793 -5.094 0.562 91 HB3 CYS 12 1HB CYS 12 4.625 -4.200 -0.404 92 H ARG 13 H ARG 13 4.601 -1.230 0.363 93 HA ARG 13 HA ARG 13 3.821 -1.458 3.184 94 HB2 ARG 13 2HB ARG 13 4.587 0.792 2.586 95 HB3 ARG 13 1HB ARG 13 3.537 0.804 1.180 96 HG2 ARG 13 2HG ARG 13 2.611 2.190 2.908 97 HG3 ARG 13 1HG ARG 13 1.585 0.783 2.629 98 HD2 ARG 13 2HD ARG 13 1.757 1.162 5.004 99 HD3 ARG 13 1HD ARG 13 2.653 -0.303 4.600 100 HE ARG 13 HE ARG 13 4.069 2.221 4.762 101 HH11 ARG 13 1HH1 ARG 13 3.465 -0.973 6.173 102 HH12 ARG 13 2HH1 ARG 13 4.740 -0.853 7.308 103 HH21 ARG 13 1HH2 ARG 13 5.808 2.341 6.337 104 HH22 ARG 13 2HH2 ARG 13 6.092 1.032 7.378 105 H ABA 14 H ABA 14 1.923 -2.475 3.471 106 HA ABA 14 HA ABA 14 -0.009 -2.458 1.271 107 HB3 ABA 14 1HB ABA 14 0.461 -4.605 3.358 108 HB2 ABA 14 2HB ABA 14 0.962 -4.707 1.676 109 HG1 ABA 14 3HG ABA 14 -1.381 -4.654 0.967 110 HG3 ABA 14 1HG ABA 14 -1.884 -4.567 2.655 111 HG2 ABA 14 2HG ABA 14 -1.051 -6.002 2.055 112 H VAL 15 H VAL 15 -1.734 -1.329 1.752 113 HA VAL 15 HA VAL 15 -2.625 -1.265 4.517 114 HB VAL 15 HB VAL 15 -1.426 0.863 4.070 115 HG11 VAL 15 1HG1 VAL 15 -3.478 1.343 1.923 116 HG12 VAL 15 2HG1 VAL 15 -1.755 1.067 1.685 117 HG13 VAL 15 3HG1 VAL 15 -2.303 2.524 2.507 118 HG21 VAL 15 3HG2 VAL 15 -3.257 0.873 5.650 119 HG22 VAL 15 1HG2 VAL 15 -4.404 1.196 4.353 120 HG23 VAL 15 2HG2 VAL 15 -3.196 2.408 4.779 121 H CYS 16 H CYS 16 -4.764 -1.578 4.725 122 HA CYS 16 HA CYS 16 -6.243 -1.693 2.232 123 HB2 CYS 16 2HB CYS 16 -6.866 -3.081 4.845 124 HB3 CYS 16 1HB CYS 16 -7.796 -3.229 3.360 125 H ARG 17 H ARG 17 -8.046 -0.573 1.929 126 HA ARG 17 HA ARG 17 -9.288 0.810 4.100 127 HB2 ARG 17 2HB ARG 17 -9.005 3.054 2.990 128 HB3 ARG 17 1HB ARG 17 -7.569 2.399 3.763 129 HG2 ARG 17 2HG ARG 17 -6.739 1.681 1.564 130 HG3 ARG 17 1HG ARG 17 -8.165 2.386 0.804 131 HD2 ARG 17 2HD ARG 17 -6.208 3.873 0.690 132 HD3 ARG 17 1HD ARG 17 -7.547 4.580 1.596 133 HE ARG 17 HE ARG 17 -6.045 3.380 3.505 134 HH11 ARG 17 1HH1 ARG 17 -5.269 5.715 0.972 135 HH12 ARG 17 2HH1 ARG 17 -4.123 6.553 1.887 136 HH21 ARG 17 1HH2 ARG 17 -4.468 4.488 4.767 137 HH22 ARG 17 2HH2 ARG 17 -3.614 5.815 4.107 138 H ARG 18 H ARG 18 -11.338 0.931 3.757 139 HA ARG 18 HA ARG 18 -13.389 0.839 2.825 140 HB2 ARG 18 2HB ARG 18 -12.528 2.959 1.750 141 HB3 ARG 18 1HB ARG 18 -12.057 2.007 0.358 142 HG2 ARG 18 2HG ARG 18 -14.410 1.435 -0.030 143 HG3 ARG 18 1HG ARG 18 -14.863 2.402 1.372 144 HD2 ARG 18 2HD ARG 18 -13.935 4.389 0.316 145 HD3 ARG 18 1HD ARG 18 -13.454 3.427 -1.083 146 HE ARG 18 HE ARG 18 -16.064 2.941 -0.954 147 HH11 ARG 18 1HH1 ARG 18 -14.299 6.022 -0.835 148 HH12 ARG 18 2HH1 ARG 18 -15.547 6.916 -1.564 149 HH21 ARG 18 1HH2 ARG 18 -17.749 4.184 -1.986 150 HH22 ARG 18 2HH2 ARG 18 -17.534 5.861 -2.219 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -10.592 -1.279 3.243 2 HA2 GLY 1 2HA GLY 1 -11.474 -3.521 2.948 3 HA3 GLY 1 1HA GLY 1 -12.768 -2.823 1.996 4 H VAL 2 H VAL 2 -10.304 -1.152 0.729 5 HA VAL 2 HA VAL 2 -9.811 -3.252 -1.263 6 HB VAL 2 HB VAL 2 -9.602 -0.229 -1.570 7 HG11 VAL 2 1HG1 VAL 2 -9.346 -0.683 -3.974 8 HG12 VAL 2 2HG1 VAL 2 -9.352 -2.415 -3.639 9 HG13 VAL 2 3HG1 VAL 2 -8.042 -1.404 -3.028 10 HG21 VAL 2 3HG2 VAL 2 -11.594 -0.373 -2.961 11 HG22 VAL 2 1HG2 VAL 2 -11.921 -0.996 -1.345 12 HG23 VAL 2 2HG2 VAL 2 -11.677 -2.116 -2.686 13 H CYS 3 H CYS 3 -7.834 -4.097 -1.122 14 HA CYS 3 HA CYS 3 -5.891 -2.515 0.310 15 HB2 CYS 3 2HB CYS 3 -5.871 -5.441 -0.307 16 HB3 CYS 3 1HB CYS 3 -4.566 -4.608 0.517 17 H ARG 4 H ARG 4 -4.130 -1.760 -0.439 18 HA ARG 4 HA ARG 4 -3.405 -2.282 -3.256 19 HB2 ARG 4 2HB ARG 4 -4.309 0.035 -2.677 20 HB3 ARG 4 1HB ARG 4 -2.930 0.200 -1.605 21 HG2 ARG 4 2HG ARG 4 -2.386 1.396 -3.522 22 HG3 ARG 4 1HG ARG 4 -1.459 -0.100 -3.556 23 HD2 ARG 4 2HD ARG 4 -4.043 0.354 -5.071 24 HD3 ARG 4 1HD ARG 4 -2.448 0.576 -5.776 25 HE ARG 4 HE ARG 4 -2.271 -1.936 -4.982 26 HH11 ARG 4 1HH1 ARG 4 -4.888 -0.336 -6.753 27 HH12 ARG 4 2HH1 ARG 4 -5.420 -1.789 -7.498 28 HH21 ARG 4 1HH2 ARG 4 -3.012 -3.852 -5.979 29 HH22 ARG 4 2HH2 ARG 4 -4.347 -3.835 -7.045 30 H ABA 5 H ABA 5 -1.459 -3.367 -3.355 31 HA ABA 5 HA ABA 5 0.382 -3.131 -1.104 32 HB3 ABA 5 1HB ABA 5 1.527 -5.090 -2.159 33 HB2 ABA 5 2HB ABA 5 0.292 -5.094 -3.409 34 HG1 ABA 5 3HG ABA 5 -0.163 -6.788 -1.752 35 HG3 ABA 5 1HG ABA 5 -1.417 -5.549 -1.725 36 HG2 ABA 5 2HG ABA 5 -0.165 -5.570 -0.480 37 H VAL 6 H VAL 6 1.378 -1.240 -1.466 38 HA VAL 6 HA VAL 6 2.591 -0.867 -4.099 39 HB VAL 6 HB VAL 6 1.072 0.953 -3.391 40 HG11 VAL 6 1HG1 VAL 6 1.655 2.479 -1.566 41 HG12 VAL 6 2HG1 VAL 6 2.973 1.401 -1.103 42 HG13 VAL 6 3HG1 VAL 6 1.304 0.845 -0.997 43 HG21 VAL 6 3HG2 VAL 6 2.586 2.853 -3.798 44 HG22 VAL 6 1HG2 VAL 6 2.894 1.504 -4.890 45 HG23 VAL 6 2HG2 VAL 6 3.967 1.789 -3.525 46 H CYS 7 H CYS 7 4.788 -0.670 -4.282 47 HA CYS 7 HA CYS 7 6.204 -1.230 -1.807 48 HB2 CYS 7 2HB CYS 7 7.158 -1.824 -4.612 49 HB3 CYS 7 1HB CYS 7 7.881 -2.380 -3.105 50 H ARG 8 H ARG 8 7.908 -0.146 -1.174 51 HA ARG 8 HA ARG 8 8.764 2.139 -2.736 52 HB2 ARG 8 2HB ARG 8 8.596 3.575 -0.697 53 HB3 ARG 8 1HB ARG 8 7.054 3.088 -1.373 54 HG2 ARG 8 2HG ARG 8 6.876 1.343 0.382 55 HG3 ARG 8 1HG ARG 8 8.383 1.938 1.079 56 HD2 ARG 8 2HD ARG 8 6.411 2.839 2.239 57 HD3 ARG 8 1HD ARG 8 7.366 4.113 1.481 58 HE ARG 8 HE ARG 8 5.540 3.514 -0.407 59 HH11 ARG 8 1HH1 ARG 8 5.187 4.369 3.029 60 HH12 ARG 8 2HH1 ARG 8 3.713 5.168 2.826 61 HH21 ARG 8 1HH2 ARG 8 3.481 4.587 -0.686 62 HH22 ARG 8 2HH2 ARG 8 2.690 5.281 0.643 63 H ARG 9 H ARG 9 10.854 2.202 -2.777 64 HA ARG 9 HA ARG 9 13.047 1.828 -2.387 65 HB2 ARG 9 2HB ARG 9 12.526 3.226 -0.372 66 HB3 ARG 9 1HB ARG 9 12.237 1.761 0.541 67 HG2 ARG 9 2HG ARG 9 14.569 1.135 0.313 68 HG3 ARG 9 1HG ARG 9 14.880 2.560 -0.682 69 HD2 ARG 9 2HD ARG 9 14.242 3.997 1.162 70 HD3 ARG 9 1HD ARG 9 13.910 2.588 2.171 71 HE ARG 9 HE ARG 9 16.482 2.251 1.419 72 HH11 ARG 9 1HH1 ARG 9 14.726 4.886 2.966 73 HH12 ARG 9 2HH1 ARG 9 16.063 5.512 3.803 74 HH21 ARG 9 1HH2 ARG 9 18.350 3.065 2.607 75 HH22 ARG 9 2HH2 ARG 9 18.182 4.428 3.604 76 H GLY 10 H GLY 10 11.221 -0.330 -2.752 77 HA2 GLY 10 2HA GLY 10 11.684 -2.572 -3.217 78 HA3 GLY 10 1HA GLY 10 13.047 -2.497 -2.112 79 H VAL 11 H VAL 11 10.497 -1.170 -0.448 80 HA VAL 11 HA VAL 11 9.928 -3.749 0.821 81 HB VAL 11 HB VAL 11 9.761 -0.931 1.964 82 HG11 VAL 11 1HG1 VAL 11 9.258 -1.999 4.115 83 HG12 VAL 11 2HG1 VAL 11 9.247 -3.577 3.332 84 HG13 VAL 11 3HG1 VAL 11 8.018 -2.382 2.916 85 HG21 VAL 11 3HG2 VAL 11 11.640 -3.205 2.576 86 HG22 VAL 11 1HG2 VAL 11 11.581 -1.667 3.435 87 HG23 VAL 11 2HG2 VAL 11 12.047 -1.713 1.731 88 H CYS 12 H CYS 12 7.879 -4.459 0.738 89 HA CYS 12 HA CYS 12 6.041 -2.686 -0.607 90 HB2 CYS 12 2HB CYS 12 5.821 -5.656 -0.211 91 HB3 CYS 12 1HB CYS 12 4.708 -4.658 -1.133 92 H ARG 13 H ARG 13 4.323 -1.909 0.154 93 HA ARG 13 HA ARG 13 3.646 -2.553 2.928 94 HB2 ARG 13 2HB ARG 13 4.796 -0.353 2.612 95 HB3 ARG 13 1HB ARG 13 3.490 0.141 1.554 96 HG2 ARG 13 2HG ARG 13 3.255 1.100 3.759 97 HG3 ARG 13 1HG ARG 13 1.920 0.011 3.387 98 HD2 ARG 13 2HD ARG 13 2.905 -1.734 4.719 99 HD3 ARG 13 1HD ARG 13 4.350 -0.767 5.008 100 HE ARG 13 HE ARG 13 2.772 0.812 6.155 101 HH11 ARG 13 1HH1 ARG 13 2.143 -2.688 6.049 102 HH12 ARG 13 2HH1 ARG 13 1.276 -2.697 7.511 103 HH21 ARG 13 1HH2 ARG 13 1.598 0.778 8.134 104 HH22 ARG 13 2HH2 ARG 13 0.960 -0.675 8.749 105 H ABA 14 H ABA 14 1.649 -3.261 3.164 106 HA ABA 14 HA ABA 14 -0.250 -3.009 0.986 107 HB3 ABA 14 1HB ABA 14 -0.379 -4.652 3.526 108 HB2 ABA 14 2HB ABA 14 0.175 -5.251 1.967 109 HG1 ABA 14 3HG ABA 14 -2.047 -4.879 1.024 110 HG3 ABA 14 1HG ABA 14 -2.607 -4.279 2.586 111 HG2 ABA 14 2HG ABA 14 -2.105 -5.962 2.414 112 H VAL 15 H VAL 15 -1.206 -1.122 1.078 113 HA VAL 15 HA VAL 15 -2.236 -0.101 3.631 114 HB VAL 15 HB VAL 15 -2.025 1.273 0.926 115 HG11 VAL 15 1HG1 VAL 15 -2.505 3.342 2.143 116 HG12 VAL 15 2HG1 VAL 15 -2.694 2.420 3.635 117 HG13 VAL 15 3HG1 VAL 15 -3.824 2.178 2.298 118 HG21 VAL 15 3HG2 VAL 15 0.198 0.856 1.843 119 HG22 VAL 15 1HG2 VAL 15 -0.276 1.601 3.370 120 HG23 VAL 15 2HG2 VAL 15 -0.178 2.575 1.899 121 H CYS 16 H CYS 16 -4.382 -0.452 3.969 122 HA CYS 16 HA CYS 16 -5.947 -1.091 1.594 123 HB2 CYS 16 2HB CYS 16 -6.496 -1.904 4.456 124 HB3 CYS 16 1HB CYS 16 -7.449 -2.366 3.050 125 H ARG 17 H ARG 17 -7.668 0.082 1.082 126 HA ARG 17 HA ARG 17 -8.369 2.132 3.037 127 HB2 ARG 17 2HB ARG 17 -9.020 3.638 1.194 128 HB3 ARG 17 1HB ARG 17 -7.330 3.195 1.083 129 HG2 ARG 17 2HG ARG 17 -7.801 1.684 -0.739 130 HG3 ARG 17 1HG ARG 17 -9.535 1.946 -0.552 131 HD2 ARG 17 2HD ARG 17 -8.777 3.265 -2.399 132 HD3 ARG 17 1HD ARG 17 -9.169 4.347 -1.065 133 HE ARG 17 HE ARG 17 -6.399 3.522 -1.348 134 HH11 ARG 17 1HH1 ARG 17 -8.788 6.124 -1.732 135 HH12 ARG 17 2HH1 ARG 17 -7.629 7.304 -2.154 136 HH21 ARG 17 1HH2 ARG 17 -4.848 5.136 -1.913 137 HH22 ARG 17 2HH2 ARG 17 -5.305 6.732 -2.267 138 H ARG 18 H ARG 18 -10.052 1.515 3.987 139 HA ARG 18 HA ARG 18 -12.063 0.668 4.521 140 HB2 ARG 18 2HB ARG 18 -12.490 2.906 3.448 141 HB3 ARG 18 1HB ARG 18 -12.941 2.056 1.984 142 HG2 ARG 18 2HG ARG 18 -14.788 1.016 3.128 143 HG3 ARG 18 1HG ARG 18 -14.300 1.757 4.655 144 HD2 ARG 18 2HD ARG 18 -14.642 3.973 3.653 145 HD3 ARG 18 1HD ARG 18 -15.189 3.198 2.164 146 HE ARG 18 HE ARG 18 -16.593 2.383 4.531 147 HH11 ARG 18 1HH1 ARG 18 -16.528 4.722 1.881 148 HH12 ARG 18 2HH1 ARG 18 -18.176 5.145 2.034 149 HH21 ARG 18 1HH2 ARG 18 -18.813 2.936 4.732 150 HH22 ARG 18 2HH2 ARG 18 -19.514 4.090 3.667 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.467 -0.757 2.623 2 HA2 GLY 1 2HA GLY 1 -12.118 -2.968 2.510 3 HA3 GLY 1 1HA GLY 1 -13.162 -2.569 1.162 4 H VAL 2 H VAL 2 -10.139 -1.295 0.488 5 HA VAL 2 HA VAL 2 -9.443 -3.752 -0.956 6 HB VAL 2 HB VAL 2 -9.111 -0.899 -1.958 7 HG11 VAL 2 1HG1 VAL 2 -8.426 -3.515 -3.307 8 HG12 VAL 2 2HG1 VAL 2 -7.271 -2.331 -2.697 9 HG13 VAL 2 3HG1 VAL 2 -8.323 -1.918 -4.053 10 HG21 VAL 2 3HG2 VAL 2 -11.427 -1.668 -2.079 11 HG22 VAL 2 1HG2 VAL 2 -10.910 -3.113 -2.946 12 HG23 VAL 2 2HG2 VAL 2 -10.730 -1.527 -3.694 13 H CYS 3 H CYS 3 -7.475 -4.496 -0.514 14 HA CYS 3 HA CYS 3 -5.692 -2.679 0.848 15 HB2 CYS 3 2HB CYS 3 -5.587 -5.662 0.647 16 HB3 CYS 3 1HB CYS 3 -4.395 -4.684 1.477 17 H ARG 4 H ARG 4 -4.124 -1.900 -0.036 18 HA ARG 4 HA ARG 4 -3.225 -2.930 -2.672 19 HB2 ARG 4 2HB ARG 4 -4.486 -0.736 -2.695 20 HB3 ARG 4 1HB ARG 4 -3.210 -0.091 -1.677 21 HG2 ARG 4 2HG ARG 4 -2.789 0.680 -3.846 22 HG3 ARG 4 1HG ARG 4 -1.603 -0.562 -3.474 23 HD2 ARG 4 2HD ARG 4 -4.127 -1.087 -5.050 24 HD3 ARG 4 1HD ARG 4 -2.617 -0.619 -5.813 25 HE ARG 4 HE ARG 4 -1.692 -2.705 -4.768 26 HH11 ARG 4 1HH1 ARG 4 -5.158 -2.492 -5.561 27 HH12 ARG 4 2HH1 ARG 4 -5.288 -4.146 -5.926 28 HH21 ARG 4 1HH2 ARG 4 -1.924 -4.956 -5.264 29 HH22 ARG 4 2HH2 ARG 4 -3.423 -5.577 -5.756 30 H ABA 5 H ABA 5 -1.160 -3.713 -2.507 31 HA ABA 5 HA ABA 5 0.537 -2.711 -0.404 32 HB3 ABA 5 1HB ABA 5 2.246 -4.273 -1.383 33 HB2 ABA 5 2HB ABA 5 1.047 -4.761 -2.577 34 HG1 ABA 5 3HG ABA 5 0.857 -5.126 0.402 35 HG3 ABA 5 1HG ABA 5 1.153 -6.382 -0.796 36 HG2 ABA 5 2HG ABA 5 -0.407 -5.555 -0.746 37 H VAL 6 H VAL 6 1.634 -0.984 -0.581 38 HA VAL 6 HA VAL 6 2.336 -0.007 -3.238 39 HB VAL 6 HB VAL 6 2.779 2.194 -2.167 40 HG11 VAL 6 1HG1 VAL 6 0.460 2.801 -1.652 41 HG12 VAL 6 2HG1 VAL 6 0.050 1.088 -1.531 42 HG13 VAL 6 3HG1 VAL 6 0.570 1.766 -3.075 43 HG21 VAL 6 3HG2 VAL 6 3.400 1.442 0.083 44 HG22 VAL 6 1HG2 VAL 6 1.748 0.899 0.367 45 HG23 VAL 6 2HG2 VAL 6 2.089 2.619 0.165 46 H CYS 7 H CYS 7 4.407 0.048 -3.855 47 HA CYS 7 HA CYS 7 6.191 -1.076 -1.889 48 HB2 CYS 7 2HB CYS 7 6.536 -1.046 -4.899 49 HB3 CYS 7 1HB CYS 7 7.517 -1.940 -3.742 50 H ARG 8 H ARG 8 7.696 -0.044 -1.042 51 HA ARG 8 HA ARG 8 8.642 2.499 -2.168 52 HB2 ARG 8 2HB ARG 8 7.927 1.857 0.709 53 HB3 ARG 8 1HB ARG 8 8.714 3.335 0.183 54 HG2 ARG 8 2HG ARG 8 6.762 4.006 -1.048 55 HG3 ARG 8 1HG ARG 8 5.986 2.454 -0.742 56 HD2 ARG 8 2HD ARG 8 5.095 4.195 0.723 57 HD3 ARG 8 1HD ARG 8 5.921 2.943 1.642 58 HE ARG 8 HE ARG 8 7.716 5.016 1.080 59 HH11 ARG 8 1HH1 ARG 8 4.824 4.450 3.061 60 HH12 ARG 8 2HH1 ARG 8 5.298 5.500 4.305 61 HH21 ARG 8 1HH2 ARG 8 8.318 6.536 2.785 62 HH22 ARG 8 2HH2 ARG 8 7.286 6.739 4.125 63 H ARG 9 H ARG 9 10.765 2.394 -2.433 64 HA ARG 9 HA ARG 9 12.931 1.808 -2.327 65 HB2 ARG 9 2HB ARG 9 12.591 2.516 0.119 66 HB3 ARG 9 1HB ARG 9 12.397 0.813 0.483 67 HG2 ARG 9 2HG ARG 9 14.693 0.420 -0.388 68 HG3 ARG 9 1HG ARG 9 14.876 2.167 -0.560 69 HD2 ARG 9 2HD ARG 9 14.339 0.653 1.987 70 HD3 ARG 9 1HD ARG 9 15.846 1.442 1.521 71 HE ARG 9 HE ARG 9 13.994 3.417 1.429 72 HH11 ARG 9 1HH1 ARG 9 15.078 1.189 3.945 73 HH12 ARG 9 2HH1 ARG 9 14.667 2.209 5.244 74 HH21 ARG 9 1HH2 ARG 9 13.447 4.831 3.194 75 HH22 ARG 9 2HH2 ARG 9 13.732 4.331 4.806 76 H GLY 10 H GLY 10 10.909 0.003 -3.188 77 HA2 GLY 10 2HA GLY 10 10.944 -2.096 -4.185 78 HA3 GLY 10 1HA GLY 10 12.513 -2.366 -3.440 79 H VAL 11 H VAL 11 10.242 -1.378 -1.139 80 HA VAL 11 HA VAL 11 9.803 -4.153 -0.298 81 HB VAL 11 HB VAL 11 9.820 -1.619 1.378 82 HG11 VAL 11 1HG1 VAL 11 9.825 -3.129 3.311 83 HG12 VAL 11 2HG1 VAL 11 9.699 -4.512 2.220 84 HG13 VAL 11 3HG1 VAL 11 8.386 -3.340 2.314 85 HG21 VAL 11 3HG2 VAL 11 12.058 -2.114 0.567 86 HG22 VAL 11 1HG2 VAL 11 11.930 -3.764 1.178 87 HG23 VAL 11 2HG2 VAL 11 11.950 -2.397 2.303 88 H CYS 12 H CYS 12 7.674 -4.749 -0.132 89 HA CYS 12 HA CYS 12 5.817 -2.642 -0.860 90 HB2 CYS 12 2HB CYS 12 5.439 -5.584 -1.056 91 HB3 CYS 12 1HB CYS 12 4.335 -4.359 -1.668 92 H ARG 13 H ARG 13 4.668 -1.838 0.412 93 HA ARG 13 HA ARG 13 4.051 -3.091 3.022 94 HB2 ARG 13 2HB ARG 13 5.332 -1.019 3.168 95 HB3 ARG 13 1HB ARG 13 4.167 -0.195 2.157 96 HG2 ARG 13 2HG ARG 13 3.977 0.451 4.470 97 HG3 ARG 13 1HG ARG 13 2.503 -0.340 3.902 98 HD2 ARG 13 2HD ARG 13 3.173 -2.387 5.036 99 HD3 ARG 13 1HD ARG 13 4.693 -1.634 5.533 100 HE ARG 13 HE ARG 13 3.188 0.025 6.711 101 HH11 ARG 13 1HH1 ARG 13 2.225 -3.369 6.307 102 HH12 ARG 13 2HH1 ARG 13 1.290 -3.404 7.721 103 HH21 ARG 13 1HH2 ARG 13 1.907 -0.038 8.620 104 HH22 ARG 13 2HH2 ARG 13 1.107 -1.477 9.079 105 H ABA 14 H ABA 14 1.977 -3.600 3.478 106 HA ABA 14 HA ABA 14 -0.045 -3.146 1.487 107 HB3 ABA 14 1HB ABA 14 -0.195 -4.554 4.164 108 HB2 ABA 14 2HB ABA 14 0.172 -5.330 2.632 109 HG1 ABA 14 3HG ABA 14 -2.053 -4.751 1.800 110 HG3 ABA 14 1HG ABA 14 -2.423 -3.981 3.343 111 HG2 ABA 14 2HG ABA 14 -2.132 -5.721 3.273 112 H VAL 15 H VAL 15 -1.379 -1.484 1.452 113 HA VAL 15 HA VAL 15 -2.110 -0.192 3.979 114 HB VAL 15 HB VAL 15 -1.933 1.131 1.242 115 HG11 VAL 15 1HG1 VAL 15 -2.310 3.226 2.465 116 HG12 VAL 15 2HG1 VAL 15 -2.486 2.315 3.961 117 HG13 VAL 15 3HG1 VAL 15 -3.654 2.100 2.656 118 HG21 VAL 15 3HG2 VAL 15 0.306 0.655 2.110 119 HG22 VAL 15 1HG2 VAL 15 -0.092 1.470 3.621 120 HG23 VAL 15 2HG2 VAL 15 -0.013 2.388 2.115 121 H CYS 16 H CYS 16 -4.219 -0.454 4.379 122 HA CYS 16 HA CYS 16 -5.871 -1.304 2.149 123 HB2 CYS 16 2HB CYS 16 -6.332 -1.711 5.114 124 HB3 CYS 16 1HB CYS 16 -7.376 -2.310 3.831 125 H ARG 17 H ARG 17 -7.666 -0.245 1.550 126 HA ARG 17 HA ARG 17 -8.725 1.875 3.178 127 HB2 ARG 17 2HB ARG 17 -8.473 3.565 1.321 128 HB3 ARG 17 1HB ARG 17 -6.993 3.129 2.160 129 HG2 ARG 17 2HG ARG 17 -6.382 1.642 0.312 130 HG3 ARG 17 1HG ARG 17 -7.868 2.082 -0.527 131 HD2 ARG 17 2HD ARG 17 -5.885 3.295 -1.342 132 HD3 ARG 17 1HD ARG 17 -7.141 4.364 -0.721 133 HE ARG 17 HE ARG 17 -5.738 4.361 1.388 134 HH11 ARG 17 1HH1 ARG 17 -4.229 3.996 -1.817 135 HH12 ARG 17 2HH1 ARG 17 -2.766 4.732 -1.309 136 HH21 ARG 17 1HH2 ARG 17 -3.776 5.370 1.992 137 HH22 ARG 17 2HH2 ARG 17 -2.484 5.497 0.875 138 H ARG 18 H ARG 18 -10.830 1.902 2.971 139 HA ARG 18 HA ARG 18 -12.935 1.517 2.314 140 HB2 ARG 18 2HB ARG 18 -12.297 3.375 0.770 141 HB3 ARG 18 1HB ARG 18 -11.871 2.191 -0.447 142 HG2 ARG 18 2HG ARG 18 -14.203 1.452 -0.561 143 HG3 ARG 18 1HG ARG 18 -14.634 2.604 0.698 144 HD2 ARG 18 2HD ARG 18 -13.456 3.340 -1.980 145 HD3 ARG 18 1HD ARG 18 -15.172 3.409 -1.593 146 HE ARG 18 HE ARG 18 -13.637 4.877 0.279 147 HH11 ARG 18 1HH1 ARG 18 -14.815 5.124 -3.041 148 HH12 ARG 18 2HH1 ARG 18 -14.975 6.819 -2.995 149 HH21 ARG 18 1HH2 ARG 18 -13.794 7.149 0.317 150 HH22 ARG 18 2HH2 ARG 18 -14.371 8.009 -1.040 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.096 -0.758 3.307 2 HA2 GLY 1 2HA GLY 1 -11.834 -2.935 2.910 3 HA3 GLY 1 1HA GLY 1 -13.051 -2.289 1.833 4 H VAL 2 H VAL 2 -10.248 -0.851 0.877 5 HA VAL 2 HA VAL 2 -9.823 -2.960 -1.120 6 HB VAL 2 HB VAL 2 -9.363 0.028 -1.428 7 HG11 VAL 2 1HG1 VAL 2 -9.184 -2.184 -3.474 8 HG12 VAL 2 2HG1 VAL 2 -7.831 -1.287 -2.790 9 HG13 VAL 2 3HG1 VAL 2 -9.010 -0.460 -3.807 10 HG21 VAL 2 3HG2 VAL 2 -11.559 -1.695 -2.584 11 HG22 VAL 2 1HG2 VAL 2 -11.283 0.006 -2.962 12 HG23 VAL 2 2HG2 VAL 2 -11.750 -0.472 -1.329 13 H CYS 3 H CYS 3 -7.917 -3.939 -0.904 14 HA CYS 3 HA CYS 3 -5.828 -2.510 0.505 15 HB2 CYS 3 2HB CYS 3 -5.988 -5.402 -0.249 16 HB3 CYS 3 1HB CYS 3 -4.682 -4.663 0.657 17 H ARG 4 H ARG 4 -4.295 -1.692 -0.335 18 HA ARG 4 HA ARG 4 -3.751 -2.216 -3.198 19 HB2 ARG 4 2HB ARG 4 -4.470 0.135 -2.463 20 HB3 ARG 4 1HB ARG 4 -2.946 0.209 -1.593 21 HG2 ARG 4 2HG ARG 4 -2.627 1.363 -3.614 22 HG3 ARG 4 1HG ARG 4 -1.770 -0.178 -3.701 23 HD2 ARG 4 2HD ARG 4 -2.916 0.266 -5.808 24 HD3 ARG 4 1HD ARG 4 -3.639 -1.129 -5.011 25 HE ARG 4 HE ARG 4 -5.035 1.173 -4.236 26 HH11 ARG 4 1HH1 ARG 4 -4.656 -0.857 -7.136 27 HH12 ARG 4 2HH1 ARG 4 -6.154 -0.373 -7.792 28 HH21 ARG 4 1HH2 ARG 4 -7.052 1.786 -5.175 29 HH22 ARG 4 2HH2 ARG 4 -7.538 1.172 -6.682 30 H ABA 5 H ABA 5 -1.940 -3.365 -3.503 31 HA ABA 5 HA ABA 5 0.138 -3.315 -1.447 32 HB3 ABA 5 1HB ABA 5 -0.236 -5.246 -3.756 33 HB2 ABA 5 2HB ABA 5 -0.737 -5.548 -2.099 34 HG1 ABA 5 3HG ABA 5 1.600 -5.433 -1.376 35 HG3 ABA 5 1HG ABA 5 2.095 -5.166 -3.044 36 HG2 ABA 5 2HG ABA 5 1.341 -6.691 -2.584 37 H VAL 6 H VAL 6 1.711 -1.968 -1.772 38 HA VAL 6 HA VAL 6 2.701 -1.527 -4.484 39 HB VAL 6 HB VAL 6 3.181 0.828 -3.835 40 HG11 VAL 6 1HG1 VAL 6 0.891 1.679 -4.109 41 HG12 VAL 6 2HG1 VAL 6 0.270 0.066 -3.755 42 HG13 VAL 6 3HG1 VAL 6 1.233 0.339 -5.206 43 HG21 VAL 6 3HG2 VAL 6 1.404 0.235 -1.467 44 HG22 VAL 6 1HG2 VAL 6 1.981 1.836 -1.929 45 HG23 VAL 6 2HG2 VAL 6 3.125 0.600 -1.405 46 H CYS 7 H CYS 7 4.941 -0.564 -4.360 47 HA CYS 7 HA CYS 7 6.250 -1.360 -1.914 48 HB2 CYS 7 2HB CYS 7 7.266 -1.971 -4.703 49 HB3 CYS 7 1HB CYS 7 8.159 -2.270 -3.211 50 H ARG 8 H ARG 8 7.881 -0.033 -1.258 51 HA ARG 8 HA ARG 8 8.491 2.176 -3.023 52 HB2 ARG 8 2HB ARG 8 8.058 3.817 -1.256 53 HB3 ARG 8 1HB ARG 8 6.605 2.951 -1.703 54 HG2 ARG 8 2HG ARG 8 7.008 1.504 0.347 55 HG3 ARG 8 1HG ARG 8 8.239 2.682 0.808 56 HD2 ARG 8 2HD ARG 8 5.282 3.125 0.450 57 HD3 ARG 8 1HD ARG 8 6.246 3.308 1.918 58 HE ARG 8 HE ARG 8 7.345 5.051 0.144 59 HH11 ARG 8 1HH1 ARG 8 4.167 4.683 1.642 60 HH12 ARG 8 2HH1 ARG 8 3.697 6.301 1.340 61 HH21 ARG 8 1HH2 ARG 8 6.700 7.217 -0.255 62 HH22 ARG 8 2HH2 ARG 8 5.165 7.770 0.261 63 H ARG 9 H ARG 9 10.537 2.032 -3.273 64 HA ARG 9 HA ARG 9 12.739 1.850 -2.949 65 HB2 ARG 9 2HB ARG 9 12.338 3.933 -1.670 66 HB3 ARG 9 1HB ARG 9 12.056 2.985 -0.221 67 HG2 ARG 9 2HG ARG 9 14.344 2.399 -0.052 68 HG3 ARG 9 1HG ARG 9 14.676 2.954 -1.693 69 HD2 ARG 9 2HD ARG 9 13.768 4.754 0.553 70 HD3 ARG 9 1HD ARG 9 15.453 4.535 0.072 71 HE ARG 9 HE ARG 9 14.398 5.170 -2.239 72 HH11 ARG 9 1HH1 ARG 9 13.906 6.778 0.875 73 HH12 ARG 9 2HH1 ARG 9 13.576 8.292 0.176 74 HH21 ARG 9 1HH2 ARG 9 13.949 7.156 -3.161 75 HH22 ARG 9 2HH2 ARG 9 13.631 8.546 -2.216 76 H GLY 10 H GLY 10 11.348 -0.428 -2.660 77 HA2 GLY 10 2HA GLY 10 12.148 -2.595 -2.344 78 HA3 GLY 10 1HA GLY 10 13.264 -1.980 -1.127 79 H VAL 11 H VAL 11 10.526 -0.578 -0.215 80 HA VAL 11 HA VAL 11 9.974 -2.782 1.623 81 HB VAL 11 HB VAL 11 9.151 0.128 1.862 82 HG11 VAL 11 1HG1 VAL 11 8.689 -0.445 4.212 83 HG12 VAL 11 2HG1 VAL 11 9.079 -2.128 3.865 84 HG13 VAL 11 3HG1 VAL 11 7.685 -1.371 3.093 85 HG21 VAL 11 3HG2 VAL 11 11.579 -0.079 1.979 86 HG22 VAL 11 1HG2 VAL 11 11.421 -1.323 3.219 87 HG23 VAL 11 2HG2 VAL 11 10.910 0.327 3.560 88 H CYS 12 H CYS 12 8.362 -3.993 0.946 89 HA CYS 12 HA CYS 12 6.287 -2.744 -0.594 90 HB2 CYS 12 2HB CYS 12 6.769 -5.645 0.007 91 HB3 CYS 12 1HB CYS 12 5.453 -5.039 -0.981 92 H ARG 13 H ARG 13 4.405 -2.337 0.034 93 HA ARG 13 HA ARG 13 3.587 -3.147 2.752 94 HB2 ARG 13 2HB ARG 13 4.510 -0.813 2.695 95 HB3 ARG 13 1HB ARG 13 3.254 -0.409 1.535 96 HG2 ARG 13 2HG ARG 13 2.573 0.379 3.644 97 HG3 ARG 13 1HG ARG 13 1.566 -0.999 3.205 98 HD2 ARG 13 2HD ARG 13 2.911 -2.449 4.635 99 HD3 ARG 13 1HD ARG 13 3.945 -1.099 5.063 100 HE ARG 13 HE ARG 13 1.096 -1.324 5.786 101 HH11 ARG 13 1HH1 ARG 13 4.245 0.086 6.384 102 HH12 ARG 13 2HH1 ARG 13 3.986 0.410 8.033 103 HH21 ARG 13 1HH2 ARG 13 0.651 -0.813 8.011 104 HH22 ARG 13 2HH2 ARG 13 1.856 -0.118 9.000 105 H ABA 14 H ABA 14 1.464 -3.733 2.903 106 HA ABA 14 HA ABA 14 -0.217 -3.303 0.546 107 HB3 ABA 14 1HB ABA 14 -0.468 -5.436 2.697 108 HB2 ABA 14 2HB ABA 14 0.215 -5.703 1.098 109 HG1 ABA 14 3HG ABA 14 -2.064 -6.520 1.204 110 HG3 ABA 14 1HG ABA 14 -1.943 -5.164 0.082 111 HG2 ABA 14 2HG ABA 14 -2.630 -4.921 1.690 112 H VAL 15 H VAL 15 -1.032 -1.391 1.026 113 HA VAL 15 HA VAL 15 -1.952 -0.744 3.716 114 HB VAL 15 HB VAL 15 -2.063 0.960 1.208 115 HG11 VAL 15 1HG1 VAL 15 -2.261 1.696 4.117 116 HG12 VAL 15 2HG1 VAL 15 -3.563 1.725 2.929 117 HG13 VAL 15 3HG1 VAL 15 -2.203 2.839 2.777 118 HG21 VAL 15 3HG2 VAL 15 0.075 0.915 3.337 119 HG22 VAL 15 1HG2 VAL 15 -0.033 2.076 2.012 120 HG23 VAL 15 2HG2 VAL 15 0.254 0.365 1.673 121 H CYS 16 H CYS 16 -4.040 -1.078 4.275 122 HA CYS 16 HA CYS 16 -5.873 -1.470 2.085 123 HB2 CYS 16 2HB CYS 16 -6.123 -2.372 4.970 124 HB3 CYS 16 1HB CYS 16 -7.329 -2.654 3.719 125 H ARG 17 H ARG 17 -7.599 -0.196 1.779 126 HA ARG 17 HA ARG 17 -8.248 1.783 3.776 127 HB2 ARG 17 2HB ARG 17 -8.038 3.595 2.021 128 HB3 ARG 17 1HB ARG 17 -6.530 2.946 2.637 129 HG2 ARG 17 2HG ARG 17 -6.354 1.515 0.627 130 HG3 ARG 17 1HG ARG 17 -7.811 2.272 -0.011 131 HD2 ARG 17 2HD ARG 17 -5.258 3.684 0.708 132 HD3 ARG 17 1HD ARG 17 -5.756 3.271 -0.930 133 HE ARG 17 HE ARG 17 -7.810 4.727 0.112 134 HH11 ARG 17 1HH1 ARG 17 -4.374 5.314 -0.387 135 HH12 ARG 17 2HH1 ARG 17 -4.527 6.994 -0.636 136 HH21 ARG 17 1HH2 ARG 17 -8.049 7.018 -0.212 137 HH22 ARG 17 2HH2 ARG 17 -6.709 7.999 -0.557 138 H ARG 18 H ARG 18 -10.328 1.732 3.967 139 HA ARG 18 HA ARG 18 -12.540 1.568 3.615 140 HB2 ARG 18 2HB ARG 18 -12.000 3.601 2.240 141 HB3 ARG 18 1HB ARG 18 -11.897 2.577 0.831 142 HG2 ARG 18 2HG ARG 18 -14.424 2.156 2.104 143 HG3 ARG 18 1HG ARG 18 -14.171 3.885 1.867 144 HD2 ARG 18 2HD ARG 18 -13.967 1.734 -0.233 145 HD3 ARG 18 1HD ARG 18 -15.271 2.906 -0.084 146 HE ARG 18 HE ARG 18 -13.185 4.517 -0.298 147 HH11 ARG 18 1HH1 ARG 18 -14.091 1.705 -2.268 148 HH12 ARG 18 2HH1 ARG 18 -13.227 2.251 -3.636 149 HH21 ARG 18 1HH2 ARG 18 -12.062 5.245 -2.206 150 HH22 ARG 18 2HH2 ARG 18 -12.090 4.273 -3.603 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -11.217 -0.344 2.506 2 HA2 GLY 1 2HA GLY 1 -11.754 -2.583 2.804 3 HA3 GLY 1 1HA GLY 1 -13.003 -2.418 1.580 4 H VAL 2 H VAL 2 -10.101 -1.200 0.393 5 HA VAL 2 HA VAL 2 -9.554 -3.763 -0.932 6 HB VAL 2 HB VAL 2 -9.117 -0.966 -2.040 7 HG11 VAL 2 1HG1 VAL 2 -8.615 -2.092 -4.161 8 HG12 VAL 2 2HG1 VAL 2 -8.788 -3.658 -3.366 9 HG13 VAL 2 3HG1 VAL 2 -7.486 -2.566 -2.889 10 HG21 VAL 2 3HG2 VAL 2 -10.917 -1.501 -3.626 11 HG22 VAL 2 1HG2 VAL 2 -11.493 -1.474 -1.959 12 HG23 VAL 2 2HG2 VAL 2 -11.209 -3.013 -2.767 13 H CYS 3 H CYS 3 -7.530 -4.515 -0.681 14 HA CYS 3 HA CYS 3 -5.743 -2.763 0.744 15 HB2 CYS 3 2HB CYS 3 -5.609 -5.742 0.397 16 HB3 CYS 3 1HB CYS 3 -4.472 -4.778 1.328 17 H ARG 4 H ARG 4 -4.017 -2.027 0.032 18 HA ARG 4 HA ARG 4 -3.132 -2.733 -2.683 19 HB2 ARG 4 2HB ARG 4 -4.177 -0.520 -2.633 20 HB3 ARG 4 1HB ARG 4 -3.181 -0.065 -1.267 21 HG2 ARG 4 2HG ARG 4 -2.353 0.992 -3.252 22 HG3 ARG 4 1HG ARG 4 -1.197 -0.193 -2.658 23 HD2 ARG 4 2HD ARG 4 -2.001 -1.792 -4.341 24 HD3 ARG 4 1HD ARG 4 -3.118 -0.568 -4.947 25 HE ARG 4 HE ARG 4 -0.527 0.480 -4.936 26 HH11 ARG 4 1HH1 ARG 4 -2.422 -1.933 -6.681 27 HH12 ARG 4 2HH1 ARG 4 -1.534 -1.797 -8.122 28 HH21 ARG 4 1HH2 ARG 4 0.724 0.638 -6.917 29 HH22 ARG 4 2HH2 ARG 4 0.309 -0.312 -8.261 30 H ABA 5 H ABA 5 -1.076 -3.363 -2.855 31 HA ABA 5 HA ABA 5 0.653 -3.112 -0.535 32 HB3 ABA 5 1HB ABA 5 2.139 -4.646 -1.815 33 HB2 ABA 5 2HB ABA 5 0.998 -4.612 -3.150 34 HG1 ABA 5 3HG ABA 5 -0.699 -5.651 -1.732 35 HG3 ABA 5 1HG ABA 5 0.453 -5.704 -0.401 36 HG2 ABA 5 2HG ABA 5 0.750 -6.645 -1.865 37 H VAL 6 H VAL 6 1.423 -1.087 -0.513 38 HA VAL 6 HA VAL 6 2.265 0.104 -3.020 39 HB VAL 6 HB VAL 6 2.641 2.216 -1.734 40 HG11 VAL 6 1HG1 VAL 6 -0.084 1.007 -1.371 41 HG12 VAL 6 2HG1 VAL 6 0.504 1.820 -2.820 42 HG13 VAL 6 3HG1 VAL 6 0.292 2.725 -1.319 43 HG21 VAL 6 3HG2 VAL 6 3.132 1.287 0.467 44 HG22 VAL 6 1HG2 VAL 6 1.483 0.676 0.598 45 HG23 VAL 6 2HG2 VAL 6 1.779 2.414 0.557 46 H CYS 7 H CYS 7 4.294 0.109 -3.671 47 HA CYS 7 HA CYS 7 6.178 -0.872 -1.739 48 HB2 CYS 7 2HB CYS 7 6.130 -1.002 -4.703 49 HB3 CYS 7 1HB CYS 7 7.701 -0.864 -3.940 50 H ARG 8 H ARG 8 7.845 0.024 -1.063 51 HA ARG 8 HA ARG 8 8.669 2.589 -2.125 52 HB2 ARG 8 2HB ARG 8 8.921 3.443 0.193 53 HB3 ARG 8 1HB ARG 8 7.251 3.130 -0.237 54 HG2 ARG 8 2HG ARG 8 7.443 0.953 0.999 55 HG3 ARG 8 1HG ARG 8 9.024 1.500 1.564 56 HD2 ARG 8 2HD ARG 8 7.395 2.016 3.232 57 HD3 ARG 8 1HD ARG 8 7.929 3.524 2.500 58 HE ARG 8 HE ARG 8 5.383 2.164 1.889 59 HH11 ARG 8 1HH1 ARG 8 7.248 5.167 2.132 60 HH12 ARG 8 2HH1 ARG 8 5.917 6.196 1.962 61 HH21 ARG 8 1HH2 ARG 8 3.495 3.607 1.670 62 HH22 ARG 8 2HH2 ARG 8 3.726 5.281 1.693 63 H ARG 9 H ARG 9 10.673 2.420 -2.681 64 HA ARG 9 HA ARG 9 12.763 1.683 -2.986 65 HB2 ARG 9 2HB ARG 9 13.023 2.838 -0.798 66 HB3 ARG 9 1HB ARG 9 12.712 1.327 0.028 67 HG2 ARG 9 2HG ARG 9 15.084 1.891 0.055 68 HG3 ARG 9 1HG ARG 9 14.806 0.413 -0.857 69 HD2 ARG 9 2HD ARG 9 15.048 3.108 -2.183 70 HD3 ARG 9 1HD ARG 9 16.451 2.108 -1.833 71 HE ARG 9 HE ARG 9 14.947 0.406 -3.197 72 HH11 ARG 9 1HH1 ARG 9 15.768 3.778 -3.906 73 HH12 ARG 9 2HH1 ARG 9 15.762 3.586 -5.589 74 HH21 ARG 9 1HH2 ARG 9 14.962 0.134 -5.555 75 HH22 ARG 9 2HH2 ARG 9 15.353 1.451 -6.542 76 H GLY 10 H GLY 10 10.815 -0.173 -3.457 77 HA2 GLY 10 2HA GLY 10 10.926 -2.325 -4.302 78 HA3 GLY 10 1HA GLY 10 12.443 -2.551 -3.449 79 H VAL 11 H VAL 11 10.308 -1.382 -1.223 80 HA VAL 11 HA VAL 11 9.614 -4.115 -0.390 81 HB VAL 11 HB VAL 11 10.035 -1.667 1.365 82 HG11 VAL 11 1HG1 VAL 11 8.364 -3.176 2.308 83 HG12 VAL 11 2HG1 VAL 11 9.851 -3.226 3.255 84 HG13 VAL 11 3HG1 VAL 11 9.477 -4.533 2.132 85 HG21 VAL 11 3HG2 VAL 11 12.024 -2.854 2.199 86 HG22 VAL 11 1HG2 VAL 11 12.145 -2.503 0.475 87 HG23 VAL 11 2HG2 VAL 11 11.744 -4.133 1.016 88 H CYS 12 H CYS 12 7.504 -4.565 -0.524 89 HA CYS 12 HA CYS 12 5.685 -2.349 -0.674 90 HB2 CYS 12 2HB CYS 12 5.408 -5.185 -1.397 91 HB3 CYS 12 1HB CYS 12 3.951 -4.316 -0.959 92 H ARG 13 H ARG 13 4.454 -1.688 0.503 93 HA ARG 13 HA ARG 13 4.073 -2.902 3.170 94 HB2 ARG 13 2HB ARG 13 4.992 -0.503 2.926 95 HB3 ARG 13 1HB ARG 13 3.374 -0.071 2.391 96 HG2 ARG 13 2HG ARG 13 3.602 0.470 4.708 97 HG3 ARG 13 1HG ARG 13 2.466 -0.869 4.509 98 HD2 ARG 13 2HD ARG 13 4.012 -1.246 6.389 99 HD3 ARG 13 1HD ARG 13 4.210 -2.466 5.131 100 HE ARG 13 HE ARG 13 5.959 -0.117 5.334 101 HH11 ARG 13 1HH1 ARG 13 5.626 -3.649 5.057 102 HH12 ARG 13 2HH1 ARG 13 7.281 -3.941 4.894 103 HH21 ARG 13 1HH2 ARG 13 8.218 -0.499 5.096 104 HH22 ARG 13 2HH2 ARG 13 8.844 -2.064 4.927 105 H ABA 14 H ABA 14 2.072 -3.702 3.624 106 HA ABA 14 HA ABA 14 -0.007 -3.402 1.631 107 HB3 ABA 14 1HB ABA 14 0.083 -5.077 4.155 108 HB2 ABA 14 2HB ABA 14 0.481 -5.642 2.537 109 HG1 ABA 14 3HG ABA 14 -1.824 -5.267 1.828 110 HG3 ABA 14 1HG ABA 14 -2.230 -4.700 3.448 111 HG2 ABA 14 2HG ABA 14 -1.734 -6.373 3.198 112 H VAL 15 H VAL 15 -1.284 -1.712 1.749 113 HA VAL 15 HA VAL 15 -2.252 -0.862 4.376 114 HB VAL 15 HB VAL 15 -0.711 0.839 3.425 115 HG11 VAL 15 1HG1 VAL 15 -1.264 2.090 1.394 116 HG12 VAL 15 2HG1 VAL 15 -2.609 0.994 1.096 117 HG13 VAL 15 3HG1 VAL 15 -0.955 0.384 1.063 118 HG21 VAL 15 3HG2 VAL 15 -3.599 1.716 3.429 119 HG22 VAL 15 1HG2 VAL 15 -2.212 2.805 3.510 120 HG23 VAL 15 2HG2 VAL 15 -2.506 1.649 4.811 121 H CYS 16 H CYS 16 -4.491 -0.594 4.506 122 HA CYS 16 HA CYS 16 -5.862 -1.352 2.050 123 HB2 CYS 16 2HB CYS 16 -6.768 -1.916 4.886 124 HB3 CYS 16 1HB CYS 16 -7.588 -2.429 3.419 125 H ARG 17 H ARG 17 -7.579 -0.217 1.359 126 HA ARG 17 HA ARG 17 -8.637 1.908 2.993 127 HB2 ARG 17 2HB ARG 17 -8.212 3.624 1.236 128 HB3 ARG 17 1HB ARG 17 -6.742 3.043 2.006 129 HG2 ARG 17 2HG ARG 17 -6.321 1.585 0.079 130 HG3 ARG 17 1HG ARG 17 -7.783 2.197 -0.692 131 HD2 ARG 17 2HD ARG 17 -5.810 3.323 -1.559 132 HD3 ARG 17 1HD ARG 17 -6.842 4.446 -0.690 133 HE ARG 17 HE ARG 17 -5.282 4.166 1.217 134 HH11 ARG 17 1HH1 ARG 17 -4.079 3.435 -2.030 135 HH12 ARG 17 2HH1 ARG 17 -2.494 3.954 -1.686 136 HH21 ARG 17 1HH2 ARG 17 -3.157 4.844 1.656 137 HH22 ARG 17 2HH2 ARG 17 -1.939 4.793 0.472 138 H ARG 18 H ARG 18 -10.722 2.150 2.598 139 HA ARG 18 HA ARG 18 -12.789 1.926 1.755 140 HB2 ARG 18 2HB ARG 18 -11.800 3.276 -0.118 141 HB3 ARG 18 1HB ARG 18 -11.398 1.786 -0.942 142 HG2 ARG 18 2HG ARG 18 -13.771 1.273 -1.190 143 HG3 ARG 18 1HG ARG 18 -14.185 2.754 -0.327 144 HD2 ARG 18 2HD ARG 18 -14.356 3.097 -2.725 145 HD3 ARG 18 1HD ARG 18 -13.039 4.062 -2.053 146 HE ARG 18 HE ARG 18 -12.471 1.460 -3.254 147 HH11 ARG 18 1HH1 ARG 18 -12.148 4.985 -3.447 148 HH12 ARG 18 2HH1 ARG 18 -10.939 4.962 -4.634 149 HH21 ARG 18 1HH2 ARG 18 -10.808 1.426 -4.887 150 HH22 ARG 18 2HH2 ARG 18 -10.138 2.871 -5.468
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