NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14405 | 1wo4 | 6328 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 -0.782 3.842 2.670 2 2H ALA 1 2HT ALA 1 -1.507 4.780 3.912 3 3H ALA 1 3HT ALA 1 -2.427 4.306 2.542 4 HA ALA 1 HA ALA 1 -1.173 2.306 4.262 5 1HB ALA 1 1HB ALA 1 -2.480 3.894 5.683 6 2HB ALA 1 2HB ALA 1 -3.087 2.238 5.687 7 3HB ALA 1 3HB ALA 1 -3.909 3.477 4.738 8 H VAL 2 H VAL 2 -1.556 0.381 3.527 9 HA VAL 2 HA VAL 2 -2.710 -0.146 1.067 10 HB VAL 2 HB VAL 2 -1.096 -1.555 2.424 11 1HG1 VAL 2 1HG1 VAL 2 -3.447 -3.049 3.470 12 2HG1 VAL 2 2HG1 VAL 2 -2.890 -1.625 4.349 13 3HG1 VAL 2 3HG1 VAL 2 -1.792 -2.977 4.074 14 1HG2 VAL 2 1HG2 VAL 2 -2.068 -3.720 1.473 15 2HG2 VAL 2 2HG2 VAL 2 -1.762 -2.403 0.340 16 3HG2 VAL 2 3HG2 VAL 2 -3.404 -2.723 0.897 17 H SER 3 H SER 3 -4.210 0.188 4.164 18 HA SER 3 HA SER 3 -6.588 -1.273 3.599 19 1HB SER 3 2HB SER 3 -5.565 -0.344 5.883 20 2HB SER 3 1HB SER 3 -6.641 1.004 5.524 21 HG SER 3 HG SER 3 -8.349 -0.541 5.363 22 H ALA 4 H ALA 4 -5.524 2.020 3.106 23 HA ALA 4 HA ALA 4 -8.108 2.647 1.840 24 1HB ALA 4 1HB ALA 4 -6.255 4.850 2.509 25 2HB ALA 4 2HB ALA 4 -7.014 4.016 3.865 26 3HB ALA 4 3HB ALA 4 -8.012 4.770 2.622 27 H CYS 5 H CYS 5 -5.619 1.296 0.756 28 HA CYS 5 HA CYS 5 -4.130 2.865 -0.935 29 1HB CYS 5 2HB CYS 5 -3.656 0.515 -0.675 30 2HB CYS 5 1HB CYS 5 -5.207 0.077 -1.382 31 H ALA 6 H ALA 6 -4.434 3.935 -2.796 32 HA ALA 6 HA ALA 6 -7.116 4.386 -3.703 33 1HB ALA 6 1HB ALA 6 -6.277 6.161 -4.900 34 2HB ALA 6 2HB ALA 6 -4.731 5.368 -5.200 35 3HB ALA 6 3HB ALA 6 -5.090 6.025 -3.603 36 H LEU 7 H LEU 7 -4.367 2.520 -4.826 37 HA LEU 7 HA LEU 7 -5.814 1.836 -7.276 38 1HB LEU 7 2HB LEU 7 -3.652 0.763 -7.938 39 2HB LEU 7 1HB LEU 7 -3.597 2.501 -7.746 40 HG LEU 7 HG LEU 7 -2.771 1.793 -5.300 41 1HD1 LEU 7 1HD1 LEU 7 -2.483 -0.602 -6.972 42 2HD1 LEU 7 2HD1 LEU 7 -2.538 -0.437 -5.217 43 3HD1 LEU 7 3HD1 LEU 7 -1.035 -0.128 -6.085 44 1HD2 LEU 7 1HD2 LEU 7 -1.466 3.277 -6.524 45 2HD2 LEU 7 2HD2 LEU 7 -1.250 2.140 -7.855 46 3HD2 LEU 7 3HD2 LEU 7 -0.410 1.877 -6.327 47 H SER 8 H SER 8 -5.086 -0.593 -7.935 48 HA SER 8 HA SER 8 -6.697 -2.316 -6.570 49 1HB SER 8 2HB SER 8 -4.377 -2.697 -8.398 50 2HB SER 8 1HB SER 8 -4.986 -4.111 -7.537 51 HG SER 8 HG SER 8 -6.377 -4.151 -9.118 52 H LYS 9 H LYS 9 -5.886 -4.452 -5.524 53 HA LYS 9 HA LYS 9 -4.943 -3.904 -2.981 54 1HB LYS 9 2HB LYS 9 -6.031 -6.070 -4.133 55 2HB LYS 9 1HB LYS 9 -4.355 -6.598 -4.081 56 1HG LYS 9 2HG LYS 9 -4.301 -6.232 -1.673 57 2HG LYS 9 1HG LYS 9 -5.974 -5.673 -1.716 58 1HD LYS 9 2HD LYS 9 -6.206 -8.067 -2.962 59 2HD LYS 9 1HD LYS 9 -4.882 -8.404 -1.844 60 1HE LYS 9 2HE LYS 9 -6.210 -8.255 -0.022 61 2HE LYS 9 1HE LYS 9 -7.177 -6.949 -0.705 62 1HZ LYS 9 1HZ LYS 9 -8.360 -9.114 -0.381 63 2HZ LYS 9 2HZ LYS 9 -7.399 -9.761 -1.614 64 3HZ LYS 9 3HZ LYS 9 -8.451 -8.480 -1.947 65 H CYS 10 H CYS 10 -2.987 -3.858 -2.000 66 HA CYS 10 HA CYS 10 -0.626 -4.194 -3.731 67 1HB CYS 10 2HB CYS 10 -1.281 -2.187 -1.610 68 2HB CYS 10 1HB CYS 10 0.402 -2.609 -1.904 69 H ALA 11 H ALA 11 1.337 -4.931 -2.684 70 HA ALA 11 HA ALA 11 2.515 -6.422 -1.432 71 1HB ALA 11 1HB ALA 11 2.045 -4.805 0.354 72 2HB ALA 11 2HB ALA 11 2.117 -6.458 0.965 73 3HB ALA 11 3HB ALA 11 0.556 -5.670 0.735 74 H ALA 12 H ALA 12 2.436 -8.556 -0.409 75 HA ALA 12 HA ALA 12 -0.054 -9.990 -1.077 76 1HB ALA 12 1HB ALA 12 2.813 -10.730 -1.501 77 2HB ALA 12 2HB ALA 12 1.459 -10.799 -2.629 78 3HB ALA 12 3HB ALA 12 1.585 -11.985 -1.330 79 H ALA 13 H ALA 13 0.687 -8.770 1.483 80 HA ALA 13 HA ALA 13 -0.087 -10.851 3.206 81 1HB ALA 13 1HB ALA 13 2.650 -10.102 4.008 82 2HB ALA 13 2HB ALA 13 2.517 -11.174 2.614 83 3HB ALA 13 3HB ALA 13 1.801 -11.641 4.158 84 H ALA 14 H ALA 14 -0.803 -8.147 2.659 85 HA ALA 14 HA ALA 14 -1.490 -6.282 3.766 86 1HB ALA 14 1HB ALA 14 -1.126 -6.528 6.410 87 2HB ALA 14 2HB ALA 14 -1.022 -8.224 5.941 88 3HB ALA 14 3HB ALA 14 -2.461 -7.286 5.544 89 H ASN 15 H ASN 15 1.240 -6.505 2.806 90 HA ASN 15 HA ASN 15 2.931 -5.196 4.737 91 1HB ASN 15 2HB ASN 15 3.614 -6.788 2.783 92 2HB ASN 15 1HB ASN 15 3.541 -5.328 1.801 93 1HD2 ASN 15 1HD2 ASN 15 5.364 -7.162 3.986 94 2HD2 ASN 15 2HD2 ASN 15 6.681 -6.062 4.185 95 H VAL 16 H VAL 16 1.556 -3.371 5.175 96 HA VAL 16 HA VAL 16 0.688 -1.509 3.297 97 HB VAL 16 HB VAL 16 1.546 -0.926 6.135 98 1HG1 VAL 16 1HG1 VAL 16 1.081 1.180 5.555 99 2HG1 VAL 16 2HG1 VAL 16 -0.609 0.677 5.512 100 3HG1 VAL 16 3HG1 VAL 16 0.346 0.686 4.030 101 1HG2 VAL 16 1HG2 VAL 16 -0.358 -1.832 6.919 102 2HG2 VAL 16 2HG2 VAL 16 -0.325 -2.754 5.416 103 3HG2 VAL 16 3HG2 VAL 16 -1.306 -1.294 5.532 104 H ALA 17 H ALA 17 3.753 -1.658 5.081 105 HA ALA 17 HA ALA 17 4.823 0.769 4.246 106 1HB ALA 17 1HB ALA 17 5.924 -1.767 5.284 107 2HB ALA 17 2HB ALA 17 6.184 -0.109 5.828 108 3HB ALA 17 3HB ALA 17 7.054 -0.723 4.422 109 H ALA 18 H ALA 18 4.907 -2.405 2.679 110 HA ALA 18 HA ALA 18 6.553 -1.652 0.507 111 1HB ALA 18 1HB ALA 18 5.512 -3.645 -0.629 112 2HB ALA 18 2HB ALA 18 4.499 -3.838 0.803 113 3HB ALA 18 3HB ALA 18 6.253 -3.975 0.937 114 H HIS 19 H HIS 19 3.178 -1.298 1.211 115 HA HIS 19 HA HIS 19 2.354 -0.592 -1.434 116 1HB HIS 19 2HB HIS 19 0.539 -1.361 -0.284 117 2HB HIS 19 1HB HIS 19 1.129 -0.770 1.259 118 HD2 HIS 19 2HD HIS 19 0.124 1.599 2.086 119 HE1 HIS 19 1HE HIS 19 -2.242 2.345 -1.323 120 HE2 HIS 19 2HE HIS 19 -1.607 3.168 0.985 121 H MET 20 H MET 20 2.651 1.312 1.587 122 HA MET 20 HA MET 20 2.225 3.791 0.365 123 1HB MET 20 2HB MET 20 2.219 3.210 2.848 124 2HB MET 20 1HB MET 20 3.962 3.428 2.785 125 1HG MET 20 2HG MET 20 3.091 5.704 1.589 126 2HG MET 20 1HG MET 20 1.806 5.407 2.760 127 1HE MET 20 1HE MET 20 3.074 8.121 3.666 128 2HE MET 20 2HE MET 20 3.187 7.587 5.344 129 3HE MET 20 3HE MET 20 1.855 7.032 4.330 130 H THR 21 H THR 21 5.087 1.831 0.569 131 HA THR 21 HA THR 21 7.092 3.684 0.141 132 HB THR 21 HB THR 21 7.136 1.063 0.333 133 HG1 THR 21 1HG THR 21 9.127 1.689 0.337 134 1HG2 THR 21 1HG2 THR 21 7.155 -0.221 -1.509 135 2HG2 THR 21 2HG2 THR 21 7.808 1.060 -2.531 136 3HG2 THR 21 3HG2 THR 21 6.091 1.045 -2.123 137 H HIS 22 H HIS 22 4.551 2.638 -1.934 138 HA HIS 22 HA HIS 22 5.502 4.468 -4.020 139 1HB HIS 22 2HB HIS 22 4.610 2.856 -5.721 140 2HB HIS 22 1HB HIS 22 6.017 2.268 -4.838 141 HD1 HIS 22 1HD HIS 22 5.744 -0.137 -4.334 142 HD2 HIS 22 2HD HIS 22 2.148 1.918 -4.081 143 HE1 HIS 22 1HE HIS 22 4.042 -1.841 -3.601 144 HE2 HIS 22 2HE HIS 22 1.905 -0.544 -3.342 145 H CYS 23 H CYS 23 3.021 3.678 -1.892 146 HA CYS 23 HA CYS 23 1.015 4.924 -3.650 147 1HB CYS 23 2HB CYS 23 0.806 2.803 -1.551 148 2HB CYS 23 1HB CYS 23 -0.533 3.920 -1.743 149 H ALA 24 H ALA 24 0.730 6.998 -3.220 150 HA ALA 24 HA ALA 24 0.160 7.883 -0.544 151 1HB ALA 24 1HB ALA 24 2.760 7.870 -0.952 152 2HB ALA 24 2HB ALA 24 1.979 9.195 -0.089 153 3HB ALA 24 3HB ALA 24 2.409 9.383 -1.789 154 H LYS 25 H LYS 25 -1.267 7.814 -3.008 155 HA LYS 25 HA LYS 25 -2.001 10.614 -3.174 156 1HB LYS 25 2HB LYS 25 -1.951 10.586 -5.674 157 2HB LYS 25 1HB LYS 25 -0.362 10.540 -4.926 158 1HG LYS 25 2HG LYS 25 -1.604 7.939 -5.585 159 2HG LYS 25 1HG LYS 25 -1.064 8.943 -6.933 160 1HD LYS 25 2HD LYS 25 0.838 8.703 -4.698 161 2HD LYS 25 1HD LYS 25 0.526 7.211 -5.588 162 1HE LYS 25 2HE LYS 25 1.140 9.760 -7.036 163 2HE LYS 25 1HE LYS 25 2.438 8.767 -6.373 164 1HZ LYS 25 1HZ LYS 25 0.367 7.770 -8.253 165 2HZ LYS 25 2HZ LYS 25 1.732 6.932 -7.710 166 3HZ LYS 25 3HZ LYS 25 1.912 8.277 -8.720 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 -2.477 4.259 2.558 2 2H ALA 1 2HT ALA 1 -0.818 3.841 2.695 3 3H ALA 1 3HT ALA 1 -1.580 4.752 3.934 4 HA ALA 1 HA ALA 1 -1.177 2.283 4.267 5 1HB ALA 1 1HB ALA 1 -2.358 3.256 5.966 6 2HB ALA 1 2HB ALA 1 -3.603 2.200 5.299 7 3HB ALA 1 3HB ALA 1 -3.587 3.915 4.885 8 H VAL 2 H VAL 2 -1.513 0.354 3.520 9 HA VAL 2 HA VAL 2 -2.656 -0.184 1.058 10 HB VAL 2 HB VAL 2 -1.006 -1.562 2.402 11 1HG1 VAL 2 1HG1 VAL 2 -2.798 -1.686 4.330 12 2HG1 VAL 2 2HG1 VAL 2 -1.661 -3.005 4.049 13 3HG1 VAL 2 3HG1 VAL 2 -3.313 -3.123 3.445 14 1HG2 VAL 2 1HG2 VAL 2 -1.620 -2.442 0.331 15 2HG2 VAL 2 2HG2 VAL 2 -3.281 -2.741 0.843 16 3HG2 VAL 2 3HG2 VAL 2 -1.974 -3.754 1.457 17 H SER 3 H SER 3 -4.157 0.077 4.163 18 HA SER 3 HA SER 3 -6.500 -1.433 3.586 19 1HB SER 3 2HB SER 3 -5.852 0.661 5.662 20 2HB SER 3 1HB SER 3 -7.445 -0.083 5.548 21 HG SER 3 HG SER 3 -6.578 -2.036 6.058 22 H ALA 4 H ALA 4 -5.514 1.887 3.118 23 HA ALA 4 HA ALA 4 -8.118 2.463 1.864 24 1HB ALA 4 1HB ALA 4 -6.342 4.720 2.530 25 2HB ALA 4 2HB ALA 4 -7.021 3.841 3.899 26 3HB ALA 4 3HB ALA 4 -8.090 4.561 2.696 27 H CYS 5 H CYS 5 -5.590 1.190 0.766 28 HA CYS 5 HA CYS 5 -4.145 2.812 -0.910 29 1HB CYS 5 2HB CYS 5 -3.613 0.472 -0.678 30 2HB CYS 5 1HB CYS 5 -5.152 0.004 -1.387 31 H ALA 6 H ALA 6 -4.470 3.880 -2.773 32 HA ALA 6 HA ALA 6 -7.174 4.251 -3.677 33 1HB ALA 6 1HB ALA 6 -4.788 5.378 -5.085 34 2HB ALA 6 2HB ALA 6 -5.274 6.001 -3.507 35 3HB ALA 6 3HB ALA 6 -6.393 6.075 -4.867 36 H LEU 7 H LEU 7 -4.339 2.528 -4.803 37 HA LEU 7 HA LEU 7 -5.713 1.856 -7.297 38 1HB LEU 7 2HB LEU 7 -3.503 0.871 -7.937 39 2HB LEU 7 1HB LEU 7 -3.509 2.603 -7.701 40 HG LEU 7 HG LEU 7 -2.713 1.863 -5.257 41 1HD1 LEU 7 1HD1 LEU 7 -2.305 -0.480 -6.980 42 2HD1 LEU 7 2HD1 LEU 7 -2.424 -0.364 -5.225 43 3HD1 LEU 7 3HD1 LEU 7 -0.903 0.016 -6.033 44 1HD2 LEU 7 1HD2 LEU 7 -1.272 2.479 -7.771 45 2HD2 LEU 7 2HD2 LEU 7 -0.315 1.926 -6.396 46 3HD2 LEU 7 3HD2 LEU 7 -1.323 3.365 -6.246 47 H SER 8 H SER 8 -4.878 -0.535 -7.995 48 HA SER 8 HA SER 8 -6.467 -2.345 -6.723 49 1HB SER 8 2HB SER 8 -3.995 -2.679 -8.388 50 2HB SER 8 1HB SER 8 -4.788 -4.092 -7.691 51 HG SER 8 HG SER 8 -5.723 -2.293 -9.630 52 H LYS 9 H LYS 9 -5.634 -4.465 -5.681 53 HA LYS 9 HA LYS 9 -4.790 -3.936 -3.100 54 1HB LYS 9 2HB LYS 9 -4.724 -6.463 -4.736 55 2HB LYS 9 1HB LYS 9 -4.219 -6.432 -3.053 56 1HG LYS 9 2HG LYS 9 -6.853 -5.246 -3.635 57 2HG LYS 9 1HG LYS 9 -6.715 -6.992 -3.847 58 1HD LYS 9 2HD LYS 9 -6.076 -7.314 -1.596 59 2HD LYS 9 1HD LYS 9 -5.777 -5.591 -1.357 60 1HE LYS 9 2HE LYS 9 -7.820 -5.845 -0.328 61 2HE LYS 9 1HE LYS 9 -8.305 -5.360 -1.952 62 1HZ LYS 9 1HZ LYS 9 -8.268 -7.960 -2.294 63 2HZ LYS 9 2HZ LYS 9 -9.629 -7.164 -1.683 64 3HZ LYS 9 3HZ LYS 9 -8.567 -7.951 -0.628 65 H CYS 10 H CYS 10 -2.866 -3.914 -2.036 66 HA CYS 10 HA CYS 10 -0.438 -4.171 -3.689 67 1HB CYS 10 2HB CYS 10 -1.200 -2.158 -1.603 68 2HB CYS 10 1HB CYS 10 0.499 -2.531 -1.878 69 H ALA 11 H ALA 11 0.961 -5.674 -3.067 70 HA ALA 11 HA ALA 11 2.058 -7.232 -1.824 71 1HB ALA 11 1HB ALA 11 1.204 -6.020 0.750 72 2HB ALA 11 2HB ALA 11 2.212 -5.055 -0.330 73 3HB ALA 11 3HB ALA 11 2.785 -6.619 0.249 74 H ALA 12 H ALA 12 1.519 -9.259 -1.289 75 HA ALA 12 HA ALA 12 -1.260 -9.769 -0.524 76 1HB ALA 12 1HB ALA 12 0.874 -11.524 -1.713 77 2HB ALA 12 2HB ALA 12 -0.629 -10.979 -2.457 78 3HB ALA 12 3HB ALA 12 -0.672 -12.147 -1.136 79 H ALA 13 H ALA 13 0.574 -8.787 1.452 80 HA ALA 13 HA ALA 13 0.235 -10.885 3.423 81 1HB ALA 13 1HB ALA 13 2.433 -11.410 2.522 82 2HB ALA 13 2HB ALA 13 2.562 -10.825 4.181 83 3HB ALA 13 3HB ALA 13 2.971 -9.761 2.836 84 H ALA 14 H ALA 14 -0.739 -8.123 2.853 85 HA ALA 14 HA ALA 14 -1.316 -6.262 4.023 86 1HB ALA 14 1HB ALA 14 -1.747 -6.521 6.246 87 2HB ALA 14 2HB ALA 14 -0.206 -7.316 6.566 88 3HB ALA 14 3HB ALA 14 -1.518 -8.214 5.805 89 H ASN 15 H ASN 15 1.331 -6.477 2.833 90 HA ASN 15 HA ASN 15 3.165 -5.154 4.619 91 1HB ASN 15 2HB ASN 15 3.525 -6.704 2.423 92 2HB ASN 15 1HB ASN 15 3.715 -5.105 1.713 93 1HD2 ASN 15 1HD2 ASN 15 4.844 -3.805 3.927 94 2HD2 ASN 15 2HD2 ASN 15 6.433 -4.438 4.170 95 H VAL 16 H VAL 16 1.706 -3.373 5.127 96 HA VAL 16 HA VAL 16 0.773 -1.508 3.275 97 HB VAL 16 HB VAL 16 1.626 -0.942 6.118 98 1HG1 VAL 16 1HG1 VAL 16 -0.580 0.604 5.515 99 2HG1 VAL 16 2HG1 VAL 16 0.384 0.667 4.041 100 3HG1 VAL 16 3HG1 VAL 16 1.093 1.157 5.578 101 1HG2 VAL 16 1HG2 VAL 16 -0.253 -1.903 6.899 102 2HG2 VAL 16 2HG2 VAL 16 -0.191 -2.815 5.390 103 3HG2 VAL 16 3HG2 VAL 16 -1.217 -1.386 5.516 104 H ALA 17 H ALA 17 3.843 -1.597 5.059 105 HA ALA 17 HA ALA 17 4.849 0.864 4.247 106 1HB ALA 17 1HB ALA 17 6.139 -1.704 5.075 107 2HB ALA 17 2HB ALA 17 6.098 -0.151 5.910 108 3HB ALA 17 3HB ALA 17 7.130 -0.364 4.496 109 H ALA 18 H ALA 18 5.013 -2.289 2.644 110 HA ALA 18 HA ALA 18 6.639 -1.472 0.481 111 1HB ALA 18 1HB ALA 18 6.128 -3.526 -0.514 112 2HB ALA 18 2HB ALA 18 4.544 -3.611 0.258 113 3HB ALA 18 3HB ALA 18 6.006 -3.854 1.214 114 H HIS 19 H HIS 19 3.255 -1.206 1.189 115 HA HIS 19 HA HIS 19 2.413 -0.492 -1.448 116 1HB HIS 19 2HB HIS 19 0.617 -1.311 -0.302 117 2HB HIS 19 1HB HIS 19 1.196 -0.718 1.245 118 HD2 HIS 19 2HD HIS 19 0.142 1.623 2.091 119 HE1 HIS 19 1HE HIS 19 -2.244 2.343 -1.310 120 HE2 HIS 19 2HE HIS 19 -1.624 3.161 1.004 121 H MET 20 H MET 20 2.670 1.393 1.589 122 HA MET 20 HA MET 20 2.192 3.873 0.386 123 1HB MET 20 2HB MET 20 2.197 3.271 2.865 124 2HB MET 20 1HB MET 20 3.935 3.530 2.804 125 1HG MET 20 2HG MET 20 3.013 5.793 1.627 126 2HG MET 20 1HG MET 20 1.734 5.458 2.791 127 1HE MET 20 1HE MET 20 2.928 8.095 3.213 128 2HE MET 20 2HE MET 20 3.534 8.121 4.869 129 3HE MET 20 3HE MET 20 1.977 7.374 4.510 130 H THR 21 H THR 21 5.096 1.974 0.581 131 HA THR 21 HA THR 21 7.060 3.874 0.168 132 HB THR 21 HB THR 21 7.162 1.253 0.343 133 HG1 THR 21 1HG THR 21 8.999 2.669 -1.280 134 1HG2 THR 21 1HG2 THR 21 7.835 1.295 -2.524 135 2HG2 THR 21 2HG2 THR 21 6.123 1.219 -2.110 136 3HG2 THR 21 3HG2 THR 21 7.229 -0.017 -1.512 137 H HIS 22 H HIS 22 4.546 2.786 -1.917 138 HA HIS 22 HA HIS 22 5.459 4.650 -3.991 139 1HB HIS 22 2HB HIS 22 4.611 3.031 -5.704 140 2HB HIS 22 1HB HIS 22 6.025 2.464 -4.817 141 HD1 HIS 22 1HD HIS 22 5.796 0.049 -4.339 142 HD2 HIS 22 2HD HIS 22 2.162 2.035 -4.076 143 HE1 HIS 22 1HE HIS 22 4.125 -1.693 -3.625 144 HE2 HIS 22 2HE HIS 22 1.964 -0.438 -3.359 145 H CYS 23 H CYS 23 2.993 3.790 -1.871 146 HA CYS 23 HA CYS 23 0.962 5.000 -3.626 147 1HB CYS 23 2HB CYS 23 0.798 2.864 -1.537 148 2HB CYS 23 1HB CYS 23 -0.567 3.951 -1.728 149 H ALA 24 H ALA 24 0.632 7.066 -3.186 150 HA ALA 24 HA ALA 24 -0.054 7.946 -0.559 151 1HB ALA 24 1HB ALA 24 2.585 8.859 -1.696 152 2HB ALA 24 2HB ALA 24 2.328 7.939 -0.213 153 3HB ALA 24 3HB ALA 24 1.770 9.609 -0.323 154 H LYS 25 H LYS 25 -1.259 7.966 -3.139 155 HA LYS 25 HA LYS 25 -1.882 10.793 -3.314 156 1HB LYS 25 2HB LYS 25 -1.606 10.810 -5.798 157 2HB LYS 25 1HB LYS 25 -0.093 10.694 -4.909 158 1HG LYS 25 2HG LYS 25 -0.564 8.093 -5.274 159 2HG LYS 25 1HG LYS 25 -1.411 8.735 -6.683 160 1HD LYS 25 2HD LYS 25 0.869 10.147 -6.840 161 2HD LYS 25 1HD LYS 25 1.477 8.688 -6.057 162 1HE LYS 25 2HE LYS 25 -0.061 7.605 -7.995 163 2HE LYS 25 1HE LYS 25 0.453 9.092 -8.790 164 1HZ LYS 25 1HZ LYS 25 1.903 7.004 -9.017 165 2HZ LYS 25 2HZ LYS 25 2.423 7.356 -7.448 166 3HZ LYS 25 3HZ LYS 25 2.666 8.477 -8.690 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 -2.423 4.320 2.560 2 2H ALA 1 2HT ALA 1 -0.780 3.837 2.680 3 3H ALA 1 3HT ALA 1 -1.493 4.776 3.927 4 HA ALA 1 HA ALA 1 -1.183 2.305 4.276 5 1HB ALA 1 1HB ALA 1 -2.352 3.284 5.968 6 2HB ALA 1 2HB ALA 1 -3.646 2.314 5.265 7 3HB ALA 1 3HB ALA 1 -3.523 4.030 4.880 8 H VAL 2 H VAL 2 -1.567 0.382 3.534 9 HA VAL 2 HA VAL 2 -2.703 -0.139 1.067 10 HB VAL 2 HB VAL 2 -1.112 -1.558 2.445 11 1HG1 VAL 2 1HG1 VAL 2 -3.471 -3.060 3.452 12 2HG1 VAL 2 2HG1 VAL 2 -2.959 -1.621 4.335 13 3HG1 VAL 2 3HG1 VAL 2 -1.832 -2.957 4.096 14 1HG2 VAL 2 1HG2 VAL 2 -3.408 -2.710 0.886 15 2HG2 VAL 2 2HG2 VAL 2 -2.084 -3.715 1.476 16 3HG2 VAL 2 3HG2 VAL 2 -1.757 -2.397 0.349 17 H SER 3 H SER 3 -4.234 0.207 4.147 18 HA SER 3 HA SER 3 -6.615 -1.239 3.558 19 1HB SER 3 2HB SER 3 -5.697 0.613 5.691 20 2HB SER 3 1HB SER 3 -7.440 0.488 5.454 21 HG SER 3 HG SER 3 -7.089 -1.854 5.589 22 H ALA 4 H ALA 4 -5.528 2.049 3.077 23 HA ALA 4 HA ALA 4 -8.097 2.691 1.786 24 1HB ALA 4 1HB ALA 4 -6.111 4.763 2.649 25 2HB ALA 4 2HB ALA 4 -7.253 4.066 3.799 26 3HB ALA 4 3HB ALA 4 -7.846 4.926 2.378 27 H CYS 5 H CYS 5 -5.610 1.314 0.724 28 HA CYS 5 HA CYS 5 -4.102 2.865 -0.969 29 1HB CYS 5 2HB CYS 5 -3.640 0.516 -0.685 30 2HB CYS 5 1HB CYS 5 -5.185 0.077 -1.401 31 H ALA 6 H ALA 6 -4.402 3.944 -2.818 32 HA ALA 6 HA ALA 6 -7.060 4.425 -3.743 33 1HB ALA 6 1HB ALA 6 -4.615 5.283 -5.238 34 2HB ALA 6 2HB ALA 6 -5.035 6.029 -3.697 35 3HB ALA 6 3HB ALA 6 -6.160 6.113 -5.052 36 H LEU 7 H LEU 7 -4.372 2.459 -4.857 37 HA LEU 7 HA LEU 7 -5.889 1.737 -7.254 38 1HB LEU 7 2HB LEU 7 -3.760 0.620 -7.946 39 2HB LEU 7 1HB LEU 7 -3.678 2.362 -7.802 40 HG LEU 7 HG LEU 7 -2.793 1.704 -5.362 41 1HD1 LEU 7 1HD1 LEU 7 -2.599 -0.739 -6.969 42 2HD1 LEU 7 2HD1 LEU 7 -2.564 -0.522 -5.219 43 3HD1 LEU 7 3HD1 LEU 7 -1.102 -0.259 -6.169 44 1HD2 LEU 7 1HD2 LEU 7 -1.468 3.129 -6.594 45 2HD2 LEU 7 2HD2 LEU 7 -1.383 2.030 -7.971 46 3HD2 LEU 7 3HD2 LEU 7 -0.456 1.687 -6.510 47 H SER 8 H SER 8 -5.230 -0.713 -7.874 48 HA SER 8 HA SER 8 -6.812 -2.377 -6.402 49 1HB SER 8 2HB SER 8 -4.595 -2.826 -8.335 50 2HB SER 8 1HB SER 8 -5.156 -4.215 -7.404 51 HG SER 8 HG SER 8 -6.280 -3.891 -9.416 52 H LYS 9 H LYS 9 -5.975 -4.510 -5.357 53 HA LYS 9 HA LYS 9 -4.915 -3.924 -2.868 54 1HB LYS 9 2HB LYS 9 -6.185 -6.007 -3.601 55 2HB LYS 9 1HB LYS 9 -4.647 -6.617 -4.196 56 1HG LYS 9 2HG LYS 9 -3.733 -6.329 -1.887 57 2HG LYS 9 1HG LYS 9 -5.371 -5.945 -1.355 58 1HD LYS 9 2HD LYS 9 -5.108 -8.409 -2.942 59 2HD LYS 9 1HD LYS 9 -4.315 -8.440 -1.365 60 1HE LYS 9 2HE LYS 9 -6.350 -9.065 -0.633 61 2HE LYS 9 1HE LYS 9 -6.690 -7.336 -0.703 62 1HZ LYS 9 1HZ LYS 9 -7.542 -9.472 -2.526 63 2HZ LYS 9 2HZ LYS 9 -7.338 -7.911 -3.146 64 3HZ LYS 9 3HZ LYS 9 -8.434 -8.184 -1.886 65 H CYS 10 H CYS 10 -2.922 -3.747 -2.030 66 HA CYS 10 HA CYS 10 -0.651 -4.142 -3.856 67 1HB CYS 10 2HB CYS 10 -1.200 -2.197 -1.656 68 2HB CYS 10 1HB CYS 10 0.471 -2.640 -1.992 69 H ALA 11 H ALA 11 1.376 -4.889 -2.904 70 HA ALA 11 HA ALA 11 2.607 -6.428 -1.767 71 1HB ALA 11 1HB ALA 11 2.635 -5.346 0.219 72 2HB ALA 11 2HB ALA 11 1.672 -6.735 0.725 73 3HB ALA 11 3HB ALA 11 0.878 -5.219 0.300 74 H ALA 12 H ALA 12 2.198 -8.461 -0.134 75 HA ALA 12 HA ALA 12 -0.166 -9.929 -1.046 76 1HB ALA 12 1HB ALA 12 2.151 -10.311 -2.352 77 2HB ALA 12 2HB ALA 12 0.941 -11.574 -2.124 78 3HB ALA 12 3HB ALA 12 2.338 -11.488 -1.051 79 H ALA 13 H ALA 13 0.633 -8.742 1.507 80 HA ALA 13 HA ALA 13 -0.124 -10.831 3.228 81 1HB ALA 13 1HB ALA 13 2.358 -11.353 2.622 82 2HB ALA 13 2HB ALA 13 1.808 -11.503 4.292 83 3HB ALA 13 3HB ALA 13 2.711 -10.076 3.785 84 H ALA 14 H ALA 14 -0.840 -8.127 2.725 85 HA ALA 14 HA ALA 14 -1.492 -6.268 3.862 86 1HB ALA 14 1HB ALA 14 -1.050 -6.532 6.495 87 2HB ALA 14 2HB ALA 14 -0.971 -8.226 6.010 88 3HB ALA 14 3HB ALA 14 -2.416 -7.274 5.663 89 H ASN 15 H ASN 15 1.214 -6.504 2.830 90 HA ASN 15 HA ASN 15 2.956 -5.198 4.717 91 1HB ASN 15 2HB ASN 15 3.230 -6.526 2.183 92 2HB ASN 15 1HB ASN 15 4.002 -4.947 2.097 93 1HD2 ASN 15 1HD2 ASN 15 5.800 -4.530 3.331 94 2HD2 ASN 15 2HD2 ASN 15 6.665 -5.764 4.175 95 H VAL 16 H VAL 16 1.572 -3.377 5.177 96 HA VAL 16 HA VAL 16 0.696 -1.512 3.299 97 HB VAL 16 HB VAL 16 1.539 -0.936 6.142 98 1HG1 VAL 16 1HG1 VAL 16 -0.620 0.659 5.520 99 2HG1 VAL 16 2HG1 VAL 16 0.336 0.676 4.037 100 3HG1 VAL 16 3HG1 VAL 16 1.068 1.169 5.565 101 1HG2 VAL 16 1HG2 VAL 16 -0.366 -1.847 6.917 102 2HG2 VAL 16 2HG2 VAL 16 -0.314 -2.774 5.417 103 3HG2 VAL 16 3HG2 VAL 16 -1.308 -1.320 5.522 104 H ALA 17 H ALA 17 3.752 -1.660 5.100 105 HA ALA 17 HA ALA 17 4.821 0.773 4.277 106 1HB ALA 17 1HB ALA 17 6.362 -1.775 4.767 107 2HB ALA 17 2HB ALA 17 5.799 -0.680 6.029 108 3HB ALA 17 3HB ALA 17 6.988 -0.128 4.850 109 H ALA 18 H ALA 18 4.922 -2.398 2.703 110 HA ALA 18 HA ALA 18 6.579 -1.635 0.544 111 1HB ALA 18 1HB ALA 18 6.247 -3.736 -0.242 112 2HB ALA 18 2HB ALA 18 4.508 -3.687 0.046 113 3HB ALA 18 3HB ALA 18 5.615 -3.997 1.383 114 H HIS 19 H HIS 19 3.202 -1.289 1.231 115 HA HIS 19 HA HIS 19 2.389 -0.583 -1.419 116 1HB HIS 19 2HB HIS 19 0.571 -1.363 -0.282 117 2HB HIS 19 1HB HIS 19 1.151 -0.774 1.267 118 HD2 HIS 19 2HD HIS 19 0.127 1.582 2.100 119 HE1 HIS 19 1HE HIS 19 -2.218 2.339 -1.321 120 HE2 HIS 19 2HE HIS 19 -1.604 3.149 0.996 121 H MET 20 H MET 20 2.661 1.316 1.609 122 HA MET 20 HA MET 20 2.234 3.798 0.389 123 1HB MET 20 2HB MET 20 2.220 3.206 2.873 124 2HB MET 20 1HB MET 20 3.961 3.440 2.817 125 1HG MET 20 2HG MET 20 3.794 5.689 2.571 126 2HG MET 20 1HG MET 20 2.258 5.592 1.711 127 1HE MET 20 1HE MET 20 3.709 7.219 4.159 128 2HE MET 20 2HE MET 20 2.613 7.378 5.531 129 3HE MET 20 3HE MET 20 2.136 7.989 3.947 130 H THR 21 H THR 21 5.096 1.841 0.593 131 HA THR 21 HA THR 21 7.102 3.697 0.185 132 HB THR 21 HB THR 21 7.148 1.075 0.357 133 HG1 THR 21 1HG THR 21 9.118 1.796 0.402 134 1HG2 THR 21 1HG2 THR 21 7.265 -0.191 -1.519 135 2HG2 THR 21 2HG2 THR 21 7.764 1.161 -2.536 136 3HG2 THR 21 3HG2 THR 21 6.077 1.002 -2.045 137 H HIS 22 H HIS 22 4.571 2.660 -1.906 138 HA HIS 22 HA HIS 22 5.523 4.510 -3.976 139 1HB HIS 22 2HB HIS 22 4.617 2.909 -5.687 140 2HB HIS 22 1HB HIS 22 6.037 2.324 -4.822 141 HD1 HIS 22 1HD HIS 22 5.791 -0.080 -4.305 142 HD2 HIS 22 2HD HIS 22 2.171 1.934 -4.064 143 HE1 HIS 22 1HE HIS 22 4.105 -1.803 -3.580 144 HE2 HIS 22 2HE HIS 22 1.954 -0.531 -3.324 145 H CYS 23 H CYS 23 3.039 3.679 -1.861 146 HA CYS 23 HA CYS 23 1.034 4.963 -3.589 147 1HB CYS 23 2HB CYS 23 0.825 2.804 -1.525 148 2HB CYS 23 1HB CYS 23 -0.517 3.922 -1.707 149 H ALA 24 H ALA 24 2.892 6.545 -2.274 150 HA ALA 24 HA ALA 24 1.441 7.634 0.035 151 1HB ALA 24 1HB ALA 24 4.059 7.060 -0.152 152 2HB ALA 24 2HB ALA 24 3.413 8.318 0.900 153 3HB ALA 24 3HB ALA 24 4.081 8.744 -0.675 154 H LYS 25 H LYS 25 0.425 8.052 -2.592 155 HA LYS 25 HA LYS 25 1.183 10.582 -3.622 156 1HB LYS 25 2HB LYS 25 -1.408 9.058 -3.954 157 2HB LYS 25 1HB LYS 25 -0.914 10.442 -4.918 158 1HG LYS 25 2HG LYS 25 0.712 7.923 -4.764 159 2HG LYS 25 1HG LYS 25 -0.576 8.158 -5.947 160 1HD LYS 25 2HD LYS 25 0.808 10.451 -6.276 161 2HD LYS 25 1HD LYS 25 2.113 9.362 -5.799 162 1HE LYS 25 2HE LYS 25 0.173 8.452 -7.866 163 2HE LYS 25 1HE LYS 25 1.401 9.631 -8.324 164 1HZ LYS 25 1HZ LYS 25 2.241 7.459 -8.755 165 2HZ LYS 25 2HZ LYS 25 1.859 6.925 -7.197 166 3HZ LYS 25 3HZ LYS 25 3.082 8.072 -7.420 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 -2.410 4.342 2.548 2 2H ALA 1 2HT ALA 1 -0.772 3.849 2.679 3 3H ALA 1 3HT ALA 1 -1.486 4.800 3.917 4 HA ALA 1 HA ALA 1 -1.194 2.329 4.282 5 1HB ALA 1 1HB ALA 1 -2.572 4.025 5.602 6 2HB ALA 1 2HB ALA 1 -3.020 2.327 5.753 7 3HB ALA 1 3HB ALA 1 -3.966 3.401 4.721 8 H VAL 2 H VAL 2 -1.582 0.405 3.545 9 HA VAL 2 HA VAL 2 -2.703 -0.123 1.075 10 HB VAL 2 HB VAL 2 -1.133 -1.545 2.473 11 1HG1 VAL 2 1HG1 VAL 2 -2.977 -1.586 4.357 12 2HG1 VAL 2 2HG1 VAL 2 -1.884 -2.949 4.114 13 3HG1 VAL 2 3HG1 VAL 2 -3.524 -3.009 3.470 14 1HG2 VAL 2 1HG2 VAL 2 -3.425 -2.704 0.910 15 2HG2 VAL 2 2HG2 VAL 2 -2.093 -3.697 1.501 16 3HG2 VAL 2 3HG2 VAL 2 -1.778 -2.380 0.370 17 H SER 3 H SER 3 -4.255 0.247 4.141 18 HA SER 3 HA SER 3 -6.642 -1.187 3.541 19 1HB SER 3 2HB SER 3 -5.728 0.671 5.670 20 2HB SER 3 1HB SER 3 -7.470 0.558 5.421 21 HG SER 3 HG SER 3 -5.774 -1.217 6.572 22 H ALA 4 H ALA 4 -5.536 2.100 3.065 23 HA ALA 4 HA ALA 4 -8.091 2.750 1.749 24 1HB ALA 4 1HB ALA 4 -6.210 4.932 2.402 25 2HB ALA 4 2HB ALA 4 -6.978 4.123 3.768 26 3HB ALA 4 3HB ALA 4 -7.969 4.874 2.518 27 H CYS 5 H CYS 5 -5.611 1.345 0.708 28 HA CYS 5 HA CYS 5 -4.088 2.875 -0.993 29 1HB CYS 5 2HB CYS 5 -3.633 0.528 -0.681 30 2HB CYS 5 1HB CYS 5 -5.176 0.086 -1.399 31 H ALA 6 H ALA 6 -4.385 3.949 -2.843 32 HA ALA 6 HA ALA 6 -7.027 4.444 -3.781 33 1HB ALA 6 1HB ALA 6 -4.313 5.418 -4.425 34 2HB ALA 6 2HB ALA 6 -5.797 6.315 -4.105 35 3HB ALA 6 3HB ALA 6 -5.535 5.578 -5.685 36 H LEU 7 H LEU 7 -4.377 2.412 -4.875 37 HA LEU 7 HA LEU 7 -5.935 1.658 -7.237 38 1HB LEU 7 2HB LEU 7 -3.826 0.509 -7.939 39 2HB LEU 7 1HB LEU 7 -3.727 2.252 -7.832 40 HG LEU 7 HG LEU 7 -2.810 1.635 -5.393 41 1HD1 LEU 7 1HD1 LEU 7 -2.668 -0.841 -6.947 42 2HD1 LEU 7 2HD1 LEU 7 -2.583 -0.585 -5.204 43 3HD1 LEU 7 3HD1 LEU 7 -1.146 -0.357 -6.200 44 1HD2 LEU 7 1HD2 LEU 7 -0.542 1.840 -6.339 45 2HD2 LEU 7 2HD2 LEU 7 -1.661 3.038 -6.988 46 3HD2 LEU 7 3HD2 LEU 7 -1.221 1.629 -7.952 47 H SER 8 H SER 8 -5.311 -0.808 -7.818 48 HA SER 8 HA SER 8 -6.877 -2.427 -6.275 49 1HB SER 8 2HB SER 8 -5.942 -2.909 -8.583 50 2HB SER 8 1HB SER 8 -4.470 -3.452 -7.778 51 HG SER 8 HG SER 8 -6.004 -5.145 -8.238 52 H LYS 9 H LYS 9 -6.017 -4.561 -5.231 53 HA LYS 9 HA LYS 9 -4.895 -3.944 -2.774 54 1HB LYS 9 2HB LYS 9 -5.113 -6.547 -4.272 55 2HB LYS 9 1HB LYS 9 -4.429 -6.461 -2.653 56 1HG LYS 9 2HG LYS 9 -6.446 -5.943 -1.679 57 2HG LYS 9 1HG LYS 9 -7.115 -5.276 -3.170 58 1HD LYS 9 2HD LYS 9 -7.556 -7.388 -4.058 59 2HD LYS 9 1HD LYS 9 -6.440 -8.189 -2.950 60 1HE LYS 9 2HE LYS 9 -7.924 -7.831 -1.101 61 2HE LYS 9 1HE LYS 9 -8.985 -6.827 -2.088 62 1HZ LYS 9 1HZ LYS 9 -8.449 -9.673 -2.712 63 2HZ LYS 9 2HZ LYS 9 -9.676 -8.685 -3.330 64 3HZ LYS 9 3HZ LYS 9 -9.726 -9.183 -1.715 65 H CYS 10 H CYS 10 -2.886 -3.707 -2.014 66 HA CYS 10 HA CYS 10 -0.664 -4.125 -3.890 67 1HB CYS 10 2HB CYS 10 -1.159 -2.202 -1.661 68 2HB CYS 10 1HB CYS 10 0.505 -2.654 -2.019 69 H ALA 11 H ALA 11 1.386 -4.892 -3.009 70 HA ALA 11 HA ALA 11 2.646 -6.448 -1.928 71 1HB ALA 11 1HB ALA 11 1.658 -4.849 0.012 72 2HB ALA 11 2HB ALA 11 2.785 -6.174 0.302 73 3HB ALA 11 3HB ALA 11 1.056 -6.419 0.547 74 H ALA 12 H ALA 12 2.129 -8.436 -0.136 75 HA ALA 12 HA ALA 12 -0.211 -9.905 -1.071 76 1HB ALA 12 1HB ALA 12 2.470 -11.244 -1.209 77 2HB ALA 12 2HB ALA 12 1.805 -10.362 -2.584 78 3HB ALA 12 3HB ALA 12 0.940 -11.751 -1.925 79 H ALA 13 H ALA 13 0.624 -8.731 1.467 80 HA ALA 13 HA ALA 13 -0.096 -10.835 3.192 81 1HB ALA 13 1HB ALA 13 2.127 -11.682 2.831 82 2HB ALA 13 2HB ALA 13 2.016 -11.043 4.472 83 3HB ALA 13 3HB ALA 13 2.831 -10.110 3.215 84 H ALA 14 H ALA 14 -0.835 -8.124 2.688 85 HA ALA 14 HA ALA 14 -1.494 -6.270 3.828 86 1HB ALA 14 1HB ALA 14 -2.035 -6.496 6.046 87 2HB ALA 14 2HB ALA 14 -0.567 -7.398 6.426 88 3HB ALA 14 3HB ALA 14 -1.893 -8.190 5.574 89 H ASN 15 H ASN 15 1.226 -6.506 2.824 90 HA ASN 15 HA ASN 15 2.945 -5.203 4.735 91 1HB ASN 15 2HB ASN 15 3.254 -6.531 2.208 92 2HB ASN 15 1HB ASN 15 4.020 -4.949 2.125 93 1HD2 ASN 15 1HD2 ASN 15 5.691 -4.455 3.594 94 2HD2 ASN 15 2HD2 ASN 15 6.597 -5.707 4.367 95 H VAL 16 H VAL 16 1.561 -3.382 5.183 96 HA VAL 16 HA VAL 16 0.698 -1.515 3.302 97 HB VAL 16 HB VAL 16 1.529 -0.940 6.149 98 1HG1 VAL 16 1HG1 VAL 16 -0.624 0.658 5.523 99 2HG1 VAL 16 2HG1 VAL 16 0.329 0.670 4.039 100 3HG1 VAL 16 3HG1 VAL 16 1.065 1.166 5.563 101 1HG2 VAL 16 1HG2 VAL 16 -0.380 -1.854 6.914 102 2HG2 VAL 16 2HG2 VAL 16 -0.326 -2.776 5.411 103 3HG2 VAL 16 3HG2 VAL 16 -1.317 -1.321 5.519 104 H ALA 17 H ALA 17 3.745 -1.665 5.118 105 HA ALA 17 HA ALA 17 4.819 0.767 4.303 106 1HB ALA 17 1HB ALA 17 5.942 -1.789 5.298 107 2HB ALA 17 2HB ALA 17 6.130 -0.149 5.920 108 3HB ALA 17 3HB ALA 17 7.058 -0.672 4.513 109 H ALA 18 H ALA 18 4.926 -2.399 2.721 110 HA ALA 18 HA ALA 18 6.592 -1.629 0.570 111 1HB ALA 18 1HB ALA 18 5.911 -3.659 -0.494 112 2HB ALA 18 2HB ALA 18 4.458 -3.760 0.500 113 3HB ALA 18 3HB ALA 18 6.046 -3.988 1.233 114 H HIS 19 H HIS 19 3.210 -1.291 1.245 115 HA HIS 19 HA HIS 19 2.408 -0.578 -1.406 116 1HB HIS 19 2HB HIS 19 0.586 -1.363 -0.279 117 2HB HIS 19 1HB HIS 19 1.158 -0.779 1.274 118 HD2 HIS 19 2HD HIS 19 0.137 1.581 2.107 119 HE1 HIS 19 1HE HIS 19 -2.203 2.337 -1.318 120 HE2 HIS 19 2HE HIS 19 -1.592 3.148 1.000 121 H MET 20 H MET 20 2.666 1.311 1.629 122 HA MET 20 HA MET 20 2.237 3.795 0.419 123 1HB MET 20 2HB MET 20 2.216 3.199 2.899 124 2HB MET 20 1HB MET 20 3.958 3.428 2.849 125 1HG MET 20 2HG MET 20 3.798 5.679 2.611 126 2HG MET 20 1HG MET 20 2.265 5.589 1.747 127 1HE MET 20 1HE MET 20 0.906 7.671 3.540 128 2HE MET 20 2HE MET 20 -0.272 6.462 4.051 129 3HE MET 20 3HE MET 20 0.435 6.376 2.438 130 H THR 21 H THR 21 5.105 1.848 0.628 131 HA THR 21 HA THR 21 7.106 3.712 0.227 132 HB THR 21 HB THR 21 7.159 1.090 0.400 133 HG1 THR 21 1HG THR 21 9.154 1.692 0.409 134 1HG2 THR 21 1HG2 THR 21 7.259 -0.178 -1.467 135 2HG2 THR 21 2HG2 THR 21 7.809 1.157 -2.480 136 3HG2 THR 21 3HG2 THR 21 6.109 1.037 -2.026 137 H HIS 22 H HIS 22 4.583 2.670 -1.872 138 HA HIS 22 HA HIS 22 5.540 4.521 -3.939 139 1HB HIS 22 2HB HIS 22 4.659 2.916 -5.656 140 2HB HIS 22 1HB HIS 22 6.069 2.332 -4.774 141 HD1 HIS 22 1HD HIS 22 5.815 -0.076 -4.279 142 HD2 HIS 22 2HD HIS 22 2.198 1.945 -4.039 143 HE1 HIS 22 1HE HIS 22 4.126 -1.799 -3.565 144 HE2 HIS 22 2HE HIS 22 1.975 -0.523 -3.311 145 H CYS 23 H CYS 23 3.048 3.704 -1.833 146 HA CYS 23 HA CYS 23 1.049 4.955 -3.594 147 1HB CYS 23 2HB CYS 23 0.838 2.815 -1.515 148 2HB CYS 23 1HB CYS 23 -0.506 3.930 -1.701 149 H ALA 24 H ALA 24 0.750 7.024 -3.149 150 HA ALA 24 HA ALA 24 0.138 7.892 -0.483 151 1HB ALA 24 1HB ALA 24 2.414 8.097 -0.085 152 2HB ALA 24 2HB ALA 24 1.966 9.716 -0.618 153 3HB ALA 24 3HB ALA 24 2.760 8.608 -1.736 154 H LYS 25 H LYS 25 -1.220 7.861 -2.987 155 HA LYS 25 HA LYS 25 -1.931 10.667 -3.139 156 1HB LYS 25 2HB LYS 25 -1.839 10.590 -5.674 157 2HB LYS 25 1HB LYS 25 -0.291 10.693 -4.846 158 1HG LYS 25 2HG LYS 25 -1.301 7.989 -5.508 159 2HG LYS 25 1HG LYS 25 -0.734 9.001 -6.838 160 1HD LYS 25 2HD LYS 25 1.013 8.936 -4.470 161 2HD LYS 25 1HD LYS 25 0.867 7.409 -5.343 162 1HE LYS 25 2HE LYS 25 1.331 9.889 -6.915 163 2HE LYS 25 1HE LYS 25 2.680 9.227 -5.992 164 1HZ LYS 25 1HZ LYS 25 2.352 8.455 -8.394 165 2HZ LYS 25 2HZ LYS 25 1.088 7.509 -7.788 166 3HZ LYS 25 3HZ LYS 25 2.664 7.277 -7.220 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 -2.414 4.324 2.540 2 2H ALA 1 2HT ALA 1 -0.771 3.844 2.672 3 3H ALA 1 3HT ALA 1 -1.493 4.790 3.909 4 HA ALA 1 HA ALA 1 -1.181 2.317 4.268 5 1HB ALA 1 1HB ALA 1 -3.945 3.409 4.726 6 2HB ALA 1 2HB ALA 1 -2.538 3.985 5.620 7 3HB ALA 1 3HB ALA 1 -3.023 2.293 5.735 8 H VAL 2 H VAL 2 -1.566 0.393 3.531 9 HA VAL 2 HA VAL 2 -2.705 -0.135 1.066 10 HB VAL 2 HB VAL 2 -1.115 -1.551 2.448 11 1HG1 VAL 2 1HG1 VAL 2 -3.486 -3.032 3.465 12 2HG1 VAL 2 2HG1 VAL 2 -2.941 -1.606 4.348 13 3HG1 VAL 2 3HG1 VAL 2 -1.840 -2.960 4.095 14 1HG2 VAL 2 1HG2 VAL 2 -3.413 -2.709 0.896 15 2HG2 VAL 2 2HG2 VAL 2 -2.085 -3.709 1.486 16 3HG2 VAL 2 3HG2 VAL 2 -1.765 -2.394 0.355 17 H SER 3 H SER 3 -4.232 0.220 4.148 18 HA SER 3 HA SER 3 -6.615 -1.225 3.566 19 1HB SER 3 2HB SER 3 -5.692 0.633 5.692 20 2HB SER 3 1HB SER 3 -7.435 0.510 5.458 21 HG SER 3 HG SER 3 -5.665 -1.313 6.496 22 H ALA 4 H ALA 4 -5.525 2.061 3.074 23 HA ALA 4 HA ALA 4 -8.094 2.701 1.783 24 1HB ALA 4 1HB ALA 4 -7.098 5.123 2.062 25 2HB ALA 4 2HB ALA 4 -6.171 4.348 3.348 26 3HB ALA 4 3HB ALA 4 -7.934 4.322 3.391 27 H CYS 5 H CYS 5 -5.607 1.321 0.724 28 HA CYS 5 HA CYS 5 -4.101 2.868 -0.973 29 1HB CYS 5 2HB CYS 5 -3.636 0.520 -0.683 30 2HB CYS 5 1HB CYS 5 -5.182 0.079 -1.397 31 H ALA 6 H ALA 6 -4.402 3.945 -2.824 32 HA ALA 6 HA ALA 6 -7.059 4.424 -3.748 33 1HB ALA 6 1HB ALA 6 -6.134 6.066 -5.139 34 2HB ALA 6 2HB ALA 6 -4.561 5.271 -5.181 35 3HB ALA 6 3HB ALA 6 -5.109 6.065 -3.704 36 H LEU 7 H LEU 7 -4.374 2.450 -4.859 37 HA LEU 7 HA LEU 7 -5.897 1.722 -7.252 38 1HB LEU 7 2HB LEU 7 -3.770 0.602 -7.944 39 2HB LEU 7 1HB LEU 7 -3.687 2.343 -7.806 40 HG LEU 7 HG LEU 7 -2.798 1.692 -5.366 41 1HD1 LEU 7 1HD1 LEU 7 -2.608 -0.755 -6.965 42 2HD1 LEU 7 2HD1 LEU 7 -2.567 -0.532 -5.217 43 3HD1 LEU 7 3HD1 LEU 7 -1.108 -0.274 -6.173 44 1HD2 LEU 7 1HD2 LEU 7 -1.551 3.134 -6.738 45 2HD2 LEU 7 2HD2 LEU 7 -1.301 1.888 -7.960 46 3HD2 LEU 7 3HD2 LEU 7 -0.477 1.776 -6.405 47 H SER 8 H SER 8 -5.240 -0.730 -7.865 48 HA SER 8 HA SER 8 -6.820 -2.389 -6.384 49 1HB SER 8 2HB SER 8 -5.620 -2.735 -8.689 50 2HB SER 8 1HB SER 8 -4.395 -3.543 -7.711 51 HG SER 8 HG SER 8 -5.762 -5.148 -8.146 52 H LYS 9 H LYS 9 -5.982 -4.520 -5.334 53 HA LYS 9 HA LYS 9 -4.913 -3.922 -2.849 54 1HB LYS 9 2HB LYS 9 -5.281 -6.454 -4.392 55 2HB LYS 9 1HB LYS 9 -4.351 -6.500 -2.900 56 1HG LYS 9 2HG LYS 9 -6.216 -5.713 -1.631 57 2HG LYS 9 1HG LYS 9 -7.146 -5.405 -3.099 58 1HD LYS 9 2HD LYS 9 -7.186 -7.785 -3.597 59 2HD LYS 9 1HD LYS 9 -6.193 -8.116 -2.176 60 1HE LYS 9 2HE LYS 9 -8.220 -8.516 -1.244 61 2HE LYS 9 1HE LYS 9 -8.180 -6.770 -1.001 62 1HZ LYS 9 1HZ LYS 9 -9.425 -8.087 -3.351 63 2HZ LYS 9 2HZ LYS 9 -9.512 -6.450 -2.935 64 3HZ LYS 9 3HZ LYS 9 -10.280 -7.608 -1.971 65 H CYS 10 H CYS 10 -2.919 -3.734 -2.023 66 HA CYS 10 HA CYS 10 -0.655 -4.142 -3.856 67 1HB CYS 10 2HB CYS 10 -1.192 -2.195 -1.654 68 2HB CYS 10 1HB CYS 10 0.476 -2.642 -1.995 69 H ALA 11 H ALA 11 1.379 -4.880 -2.900 70 HA ALA 11 HA ALA 11 2.613 -6.421 -1.766 71 1HB ALA 11 1HB ALA 11 0.874 -5.225 0.304 72 2HB ALA 11 2HB ALA 11 2.633 -5.340 0.223 73 3HB ALA 11 3HB ALA 11 1.679 -6.737 0.725 74 H ALA 12 H ALA 12 2.209 -8.459 -0.141 75 HA ALA 12 HA ALA 12 -0.149 -9.931 -1.064 76 1HB ALA 12 1HB ALA 12 1.276 -10.797 -2.637 77 2HB ALA 12 2HB ALA 12 1.534 -11.932 -1.313 78 3HB ALA 12 3HB ALA 12 2.694 -10.635 -1.603 79 H ALA 13 H ALA 13 0.636 -8.745 1.496 80 HA ALA 13 HA ALA 13 -0.131 -10.834 3.211 81 1HB ALA 13 1HB ALA 13 2.137 -11.660 2.807 82 2HB ALA 13 2HB ALA 13 1.916 -11.177 4.489 83 3HB ALA 13 3HB ALA 13 2.797 -10.127 3.379 84 H ALA 14 H ALA 14 -0.842 -8.130 2.711 85 HA ALA 14 HA ALA 14 -1.494 -6.271 3.848 86 1HB ALA 14 1HB ALA 14 -0.978 -8.230 5.995 87 2HB ALA 14 2HB ALA 14 -2.421 -7.278 5.648 88 3HB ALA 14 3HB ALA 14 -1.056 -6.537 6.482 89 H ASN 15 H ASN 15 1.212 -6.508 2.819 90 HA ASN 15 HA ASN 15 2.954 -5.207 4.709 91 1HB ASN 15 2HB ASN 15 3.228 -6.530 2.173 92 2HB ASN 15 1HB ASN 15 4.002 -4.951 2.091 93 1HD2 ASN 15 1HD2 ASN 15 6.021 -5.977 1.925 94 2HD2 ASN 15 2HD2 ASN 15 6.798 -6.657 3.310 95 H VAL 16 H VAL 16 1.566 -3.386 5.169 96 HA VAL 16 HA VAL 16 0.694 -1.517 3.294 97 HB VAL 16 HB VAL 16 1.533 -0.948 6.141 98 1HG1 VAL 16 1HG1 VAL 16 -0.625 0.649 5.516 99 2HG1 VAL 16 2HG1 VAL 16 0.340 0.671 4.039 100 3HG1 VAL 16 3HG1 VAL 16 1.063 1.158 5.572 101 1HG2 VAL 16 1HG2 VAL 16 -0.377 -1.857 6.910 102 2HG2 VAL 16 2HG2 VAL 16 -0.320 -2.783 5.409 103 3HG2 VAL 16 3HG2 VAL 16 -1.313 -1.328 5.512 104 H ALA 17 H ALA 17 3.747 -1.668 5.100 105 HA ALA 17 HA ALA 17 4.817 0.765 4.284 106 1HB ALA 17 1HB ALA 17 5.786 -0.708 6.033 107 2HB ALA 17 2HB ALA 17 6.978 -0.126 4.871 108 3HB ALA 17 3HB ALA 17 6.369 -1.778 4.759 109 H ALA 18 H ALA 18 4.921 -2.401 2.702 110 HA ALA 18 HA ALA 18 6.581 -1.632 0.547 111 1HB ALA 18 1HB ALA 18 5.988 -3.676 -0.468 112 2HB ALA 18 2HB ALA 18 4.443 -3.742 0.380 113 3HB ALA 18 3HB ALA 18 5.947 -3.995 1.266 114 H HIS 19 H HIS 19 3.201 -1.293 1.230 115 HA HIS 19 HA HIS 19 2.392 -0.579 -1.419 116 1HB HIS 19 2HB HIS 19 0.573 -1.361 -0.286 117 2HB HIS 19 1HB HIS 19 1.150 -0.776 1.265 118 HD2 HIS 19 2HD HIS 19 0.132 1.587 2.096 119 HE1 HIS 19 1HE HIS 19 -2.214 2.342 -1.324 120 HE2 HIS 19 2HE HIS 19 -1.597 3.154 0.992 121 H MET 20 H MET 20 2.660 1.311 1.614 122 HA MET 20 HA MET 20 2.232 3.795 0.401 123 1HB MET 20 2HB MET 20 2.214 3.202 2.881 124 2HB MET 20 1HB MET 20 3.956 3.428 2.830 125 1HG MET 20 2HG MET 20 3.801 5.679 2.588 126 2HG MET 20 1HG MET 20 2.265 5.590 1.727 127 1HE MET 20 1HE MET 20 0.768 7.493 3.234 128 2HE MET 20 2HE MET 20 -0.283 6.422 4.159 129 3HE MET 20 3HE MET 20 0.200 5.982 2.522 130 H THR 21 H THR 21 5.098 1.845 0.608 131 HA THR 21 HA THR 21 7.099 3.706 0.202 132 HB THR 21 HB THR 21 7.151 1.084 0.379 133 HG1 THR 21 1HG THR 21 9.268 1.153 -0.369 134 1HG2 THR 21 1HG2 THR 21 7.216 -0.188 -1.478 135 2HG2 THR 21 2HG2 THR 21 7.820 1.124 -2.492 136 3HG2 THR 21 3HG2 THR 21 6.110 1.054 -2.065 137 H HIS 22 H HIS 22 4.573 2.663 -1.892 138 HA HIS 22 HA HIS 22 5.529 4.510 -3.963 139 1HB HIS 22 2HB HIS 22 4.646 2.904 -5.676 140 2HB HIS 22 1HB HIS 22 6.055 2.319 -4.794 141 HD1 HIS 22 1HD HIS 22 5.796 -0.089 -4.298 142 HD2 HIS 22 2HD HIS 22 2.184 1.941 -4.054 143 HE1 HIS 22 1HE HIS 22 4.102 -1.807 -3.580 144 HE2 HIS 22 2HE HIS 22 1.956 -0.525 -3.324 145 H CYS 23 H CYS 23 3.040 3.698 -1.851 146 HA CYS 23 HA CYS 23 1.039 4.950 -3.611 147 1HB CYS 23 2HB CYS 23 0.828 2.813 -1.528 148 2HB CYS 23 1HB CYS 23 -0.514 3.930 -1.715 149 H ALA 24 H ALA 24 0.746 7.020 -3.171 150 HA ALA 24 HA ALA 24 0.061 7.916 -0.554 151 1HB ALA 24 1HB ALA 24 2.827 8.342 -1.539 152 2HB ALA 24 2HB ALA 24 2.230 8.122 0.106 153 3HB ALA 24 3HB ALA 24 2.040 9.679 -0.700 154 H LYS 25 H LYS 25 -1.192 7.984 -3.062 155 HA LYS 25 HA LYS 25 -1.618 10.848 -3.313 156 1HB LYS 25 2HB LYS 25 -1.412 10.855 -5.739 157 2HB LYS 25 1HB LYS 25 0.103 10.356 -5.002 158 1HG LYS 25 2HG LYS 25 -1.746 8.181 -5.722 159 2HG LYS 25 1HG LYS 25 -1.049 9.086 -7.067 160 1HD LYS 25 2HD LYS 25 1.166 8.722 -5.624 161 2HD LYS 25 1HD LYS 25 0.258 7.307 -5.088 162 1HE LYS 25 2HE LYS 25 0.193 6.383 -7.211 163 2HE LYS 25 1HE LYS 25 0.471 7.932 -8.003 164 1HZ LYS 25 1HZ LYS 25 2.727 7.866 -7.513 165 2HZ LYS 25 2HZ LYS 25 2.380 6.265 -7.933 166 3HZ LYS 25 3HZ LYS 25 2.546 6.693 -6.306 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 -2.308 4.532 2.810 2 2H ALA 1 2HT ALA 1 -0.675 4.017 2.930 3 3H ALA 1 3HT ALA 1 -1.359 4.999 4.159 4 HA ALA 1 HA ALA 1 -1.097 2.519 4.542 5 1HB ALA 1 1HB ALA 1 -2.190 3.778 6.179 6 2HB ALA 1 2HB ALA 1 -3.368 2.543 5.733 7 3HB ALA 1 3HB ALA 1 -3.529 4.184 5.106 8 H VAL 2 H VAL 2 -1.575 0.592 3.855 9 HA VAL 2 HA VAL 2 -2.808 0.085 1.422 10 HB VAL 2 HB VAL 2 -1.193 -1.362 2.767 11 1HG1 VAL 2 1HG1 VAL 2 -3.509 -2.880 3.806 12 2HG1 VAL 2 2HG1 VAL 2 -3.074 -1.404 4.667 13 3HG1 VAL 2 3HG1 VAL 2 -1.884 -2.690 4.465 14 1HG2 VAL 2 1HG2 VAL 2 -1.906 -2.172 0.679 15 2HG2 VAL 2 2HG2 VAL 2 -3.546 -2.470 1.257 16 3HG2 VAL 2 3HG2 VAL 2 -2.217 -3.493 1.807 17 H SER 3 H SER 3 -4.200 0.494 4.557 18 HA SER 3 HA SER 3 -6.631 -0.913 4.084 19 1HB SER 3 2HB SER 3 -5.567 -0.121 6.338 20 2HB SER 3 1HB SER 3 -6.425 1.385 6.007 21 HG SER 3 HG SER 3 -7.707 -1.137 5.957 22 H ALA 4 H ALA 4 -5.534 2.379 3.567 23 HA ALA 4 HA ALA 4 -8.174 3.085 2.482 24 1HB ALA 4 1HB ALA 4 -6.010 5.087 2.971 25 2HB ALA 4 2HB ALA 4 -6.971 4.473 4.316 26 3HB ALA 4 3HB ALA 4 -7.760 5.305 2.975 27 H CYS 5 H CYS 5 -5.774 1.588 1.228 28 HA CYS 5 HA CYS 5 -4.643 3.167 -0.786 29 1HB CYS 5 2HB CYS 5 -3.771 0.960 -0.230 30 2HB CYS 5 1HB CYS 5 -5.258 0.207 -0.788 31 H ALA 6 H ALA 6 -5.149 3.457 -2.960 32 HA ALA 6 HA ALA 6 -8.002 3.113 -3.591 33 1HB ALA 6 1HB ALA 6 -7.269 4.917 -5.400 34 2HB ALA 6 2HB ALA 6 -6.037 5.253 -4.183 35 3HB ALA 6 3HB ALA 6 -7.746 5.367 -3.762 36 H LEU 7 H LEU 7 -4.744 2.487 -4.669 37 HA LEU 7 HA LEU 7 -5.758 1.295 -7.143 38 1HB LEU 7 2HB LEU 7 -3.555 1.440 -7.999 39 2HB LEU 7 1HB LEU 7 -3.929 2.983 -7.267 40 HG LEU 7 HG LEU 7 -2.703 1.670 -5.204 41 1HD1 LEU 7 1HD1 LEU 7 -1.886 0.400 -7.698 42 2HD1 LEU 7 2HD1 LEU 7 -1.644 -0.115 -6.029 43 3HD1 LEU 7 3HD1 LEU 7 -0.535 1.041 -6.762 44 1HD2 LEU 7 1HD2 LEU 7 -2.126 3.882 -5.609 45 2HD2 LEU 7 2HD2 LEU 7 -1.726 3.573 -7.298 46 3HD2 LEU 7 3HD2 LEU 7 -0.649 3.009 -6.020 47 H SER 8 H SER 8 -6.263 -0.786 -6.930 48 HA SER 8 HA SER 8 -5.538 -2.515 -4.929 49 1HB SER 8 2HB SER 8 -7.175 -2.703 -7.065 50 2HB SER 8 1HB SER 8 -5.859 -3.745 -7.604 51 HG SER 8 HG SER 8 -7.717 -4.134 -5.614 52 H LYS 9 H LYS 9 -4.351 -4.712 -5.493 53 HA LYS 9 HA LYS 9 -2.375 -5.791 -5.803 54 1HB LYS 9 2HB LYS 9 -2.486 -3.896 -8.066 55 2HB LYS 9 1HB LYS 9 -0.887 -4.517 -7.680 56 1HG LYS 9 2HG LYS 9 -2.003 -5.854 -9.390 57 2HG LYS 9 1HG LYS 9 -1.679 -6.793 -7.931 58 1HD LYS 9 2HD LYS 9 -4.292 -5.464 -7.956 59 2HD LYS 9 1HD LYS 9 -4.083 -6.676 -9.222 60 1HE LYS 9 2HE LYS 9 -4.050 -8.389 -7.756 61 2HE LYS 9 1HE LYS 9 -3.147 -7.474 -6.550 62 1HZ LYS 9 1HZ LYS 9 -5.391 -6.206 -6.319 63 2HZ LYS 9 2HZ LYS 9 -5.173 -7.690 -5.538 64 3HZ LYS 9 3HZ LYS 9 -6.048 -7.617 -6.983 65 H CYS 10 H CYS 10 -1.765 -5.128 -3.673 66 HA CYS 10 HA CYS 10 0.691 -3.595 -3.675 67 1HB CYS 10 2HB CYS 10 -1.720 -2.735 -2.070 68 2HB CYS 10 1HB CYS 10 -0.081 -2.207 -1.710 69 H ALA 11 H ALA 11 1.322 -5.851 -3.259 70 HA ALA 11 HA ALA 11 2.130 -7.460 -1.867 71 1HB ALA 11 1HB ALA 11 1.793 -5.128 -0.078 72 2HB ALA 11 2HB ALA 11 3.223 -6.103 -0.418 73 3HB ALA 11 3HB ALA 11 1.992 -6.701 0.695 74 H ALA 12 H ALA 12 1.163 -9.315 -1.383 75 HA ALA 12 HA ALA 12 -1.626 -9.257 -0.498 76 1HB ALA 12 1HB ALA 12 -0.979 -10.560 -2.525 77 2HB ALA 12 2HB ALA 12 -1.790 -11.512 -1.281 78 3HB ALA 12 3HB ALA 12 -0.040 -11.625 -1.478 79 H ALA 13 H ALA 13 0.442 -8.652 1.397 80 HA ALA 13 HA ALA 13 -0.128 -10.762 3.338 81 1HB ALA 13 1HB ALA 13 2.599 -9.893 2.475 82 2HB ALA 13 2HB ALA 13 1.978 -11.519 2.762 83 3HB ALA 13 3HB ALA 13 2.328 -10.455 4.125 84 H ALA 14 H ALA 14 -1.023 -7.971 2.871 85 HA ALA 14 HA ALA 14 -1.541 -6.126 4.093 86 1HB ALA 14 1HB ALA 14 -2.365 -7.342 5.859 87 2HB ALA 14 2HB ALA 14 -1.091 -6.420 6.658 88 3HB ALA 14 3HB ALA 14 -0.810 -8.100 6.204 89 H ASN 15 H ASN 15 1.114 -6.410 2.915 90 HA ASN 15 HA ASN 15 2.965 -5.168 4.746 91 1HB ASN 15 2HB ASN 15 3.460 -6.765 2.724 92 2HB ASN 15 1HB ASN 15 3.406 -5.278 1.782 93 1HD2 ASN 15 1HD2 ASN 15 5.257 -7.256 3.803 94 2HD2 ASN 15 2HD2 ASN 15 6.630 -6.220 3.969 95 H VAL 16 H VAL 16 1.739 -3.289 5.294 96 HA VAL 16 HA VAL 16 0.778 -1.402 3.478 97 HB VAL 16 HB VAL 16 1.867 -0.835 6.237 98 1HG1 VAL 16 1HG1 VAL 16 -0.210 0.851 5.903 99 2HG1 VAL 16 2HG1 VAL 16 0.380 0.745 4.245 100 3HG1 VAL 16 3HG1 VAL 16 1.462 1.270 5.534 101 1HG2 VAL 16 1HG2 VAL 16 0.018 -1.702 7.178 102 2HG2 VAL 16 2HG2 VAL 16 -0.097 -2.626 5.681 103 3HG2 VAL 16 3HG2 VAL 16 -1.030 -1.143 5.875 104 H ALA 17 H ALA 17 3.962 -1.672 5.017 105 HA ALA 17 HA ALA 17 5.050 0.723 4.097 106 1HB ALA 17 1HB ALA 17 6.832 -1.647 4.205 107 2HB ALA 17 2HB ALA 17 5.982 -1.204 5.684 108 3HB ALA 17 3HB ALA 17 7.043 -0.037 4.894 109 H ALA 18 H ALA 18 4.903 -2.461 2.556 110 HA ALA 18 HA ALA 18 6.411 -1.778 0.261 111 1HB ALA 18 1HB ALA 18 6.024 -4.096 0.822 112 2HB ALA 18 2HB ALA 18 5.331 -3.763 -0.766 113 3HB ALA 18 3HB ALA 18 4.282 -3.884 0.648 114 H HIS 19 H HIS 19 3.129 -1.269 1.228 115 HA HIS 19 HA HIS 19 2.128 -0.581 -1.367 116 1HB HIS 19 2HB HIS 19 0.380 -1.287 -0.077 117 2HB HIS 19 1HB HIS 19 1.096 -0.693 1.411 118 HD2 HIS 19 2HD HIS 19 0.198 1.693 2.286 119 HE1 HIS 19 1HE HIS 19 -2.329 2.513 -0.989 120 HE2 HIS 19 2HE HIS 19 -1.541 3.315 1.278 121 H MET 20 H MET 20 2.709 1.328 1.608 122 HA MET 20 HA MET 20 2.277 3.818 0.405 123 1HB MET 20 2HB MET 20 2.425 3.262 2.884 124 2HB MET 20 1HB MET 20 4.169 3.382 2.697 125 1HG MET 20 2HG MET 20 3.347 5.699 1.550 126 2HG MET 20 1HG MET 20 2.131 5.480 2.806 127 1HE MET 20 1HE MET 20 3.188 7.769 4.584 128 2HE MET 20 2HE MET 20 3.518 6.588 5.852 129 3HE MET 20 3HE MET 20 2.188 6.323 4.724 130 H THR 21 H THR 21 5.062 1.746 0.386 131 HA THR 21 HA THR 21 7.109 3.510 -0.189 132 HB THR 21 HB THR 21 7.061 0.894 -0.012 133 HG1 THR 21 1HG THR 21 9.056 1.528 -0.164 134 1HG2 THR 21 1HG2 THR 21 7.470 0.853 -2.920 135 2HG2 THR 21 2HG2 THR 21 5.797 0.945 -2.372 136 3HG2 THR 21 3HG2 THR 21 6.828 -0.383 -1.840 137 H HIS 22 H HIS 22 4.375 2.580 -2.069 138 HA HIS 22 HA HIS 22 5.233 4.397 -4.209 139 1HB HIS 22 2HB HIS 22 4.115 2.843 -5.838 140 2HB HIS 22 1HB HIS 22 5.576 2.194 -5.095 141 HD1 HIS 22 1HD HIS 22 5.269 -0.198 -4.554 142 HD2 HIS 22 2HD HIS 22 1.776 1.973 -4.013 143 HE1 HIS 22 1HE HIS 22 3.579 -1.846 -3.684 144 HE2 HIS 22 2HE HIS 22 1.527 -0.474 -3.224 145 H CYS 23 H CYS 23 2.899 3.664 -1.897 146 HA CYS 23 HA CYS 23 0.813 5.041 -3.451 147 1HB CYS 23 2HB CYS 23 0.690 2.890 -1.372 148 2HB CYS 23 1HB CYS 23 -0.614 4.065 -1.441 149 H ALA 24 H ALA 24 2.843 6.540 -2.303 150 HA ALA 24 HA ALA 24 1.729 7.639 0.169 151 1HB ALA 24 1HB ALA 24 4.234 7.087 -0.239 152 2HB ALA 24 2HB ALA 24 3.798 8.572 0.606 153 3HB ALA 24 3HB ALA 24 4.250 8.627 -1.098 154 H LYS 25 H LYS 25 0.236 8.058 -2.188 155 HA LYS 25 HA LYS 25 -0.003 10.911 -2.108 156 1HB LYS 25 2HB LYS 25 0.341 11.315 -4.500 157 2HB LYS 25 1HB LYS 25 1.809 10.720 -3.739 158 1HG LYS 25 2HG LYS 25 1.043 8.405 -4.561 159 2HG LYS 25 1HG LYS 25 -0.037 9.311 -5.624 160 1HD LYS 25 2HD LYS 25 2.169 10.635 -6.185 161 2HD LYS 25 1HD LYS 25 2.939 9.151 -5.621 162 1HE LYS 25 2HE LYS 25 0.698 8.873 -7.540 163 2HE LYS 25 1HE LYS 25 2.214 9.527 -8.161 164 1HZ LYS 25 1HZ LYS 25 2.685 7.357 -8.420 165 2HZ LYS 25 2HZ LYS 25 1.594 6.845 -7.232 166 3HZ LYS 25 3HZ LYS 25 3.113 7.442 -6.786 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 -2.382 4.427 2.633 2 2H ALA 1 2HT ALA 1 -0.734 4.014 2.877 3 3H ALA 1 3HT ALA 1 -1.567 4.954 4.046 4 HA ALA 1 HA ALA 1 -1.179 2.469 4.421 5 1HB ALA 1 1HB ALA 1 -2.915 2.493 5.944 6 2HB ALA 1 2HB ALA 1 -3.992 3.380 4.864 7 3HB ALA 1 3HB ALA 1 -2.658 4.216 5.661 8 H VAL 2 H VAL 2 -1.576 0.525 3.725 9 HA VAL 2 HA VAL 2 -2.703 0.002 1.234 10 HB VAL 2 HB VAL 2 -1.061 -1.391 2.595 11 1HG1 VAL 2 1HG1 VAL 2 -3.474 -2.831 3.627 12 2HG1 VAL 2 2HG1 VAL 2 -2.748 -1.512 4.546 13 3HG1 VAL 2 3HG1 VAL 2 -1.795 -2.944 4.155 14 1HG2 VAL 2 1HG2 VAL 2 -3.317 -2.508 0.974 15 2HG2 VAL 2 2HG2 VAL 2 -2.080 -3.576 1.638 16 3HG2 VAL 2 3HG2 VAL 2 -1.626 -2.282 0.529 17 H SER 3 H SER 3 -4.183 0.252 4.356 18 HA SER 3 HA SER 3 -6.547 -1.224 3.755 19 1HB SER 3 2HB SER 3 -5.679 0.624 5.936 20 2HB SER 3 1HB SER 3 -7.401 0.296 5.756 21 HG SER 3 HG SER 3 -5.463 -1.762 5.885 22 H ALA 4 H ALA 4 -5.527 2.094 3.352 23 HA ALA 4 HA ALA 4 -8.179 2.775 2.272 24 1HB ALA 4 1HB ALA 4 -6.185 4.905 2.785 25 2HB ALA 4 2HB ALA 4 -6.896 4.106 4.188 26 3HB ALA 4 3HB ALA 4 -7.935 4.909 3.009 27 H CYS 5 H CYS 5 -5.678 1.432 1.015 28 HA CYS 5 HA CYS 5 -4.559 3.135 -0.892 29 1HB CYS 5 2HB CYS 5 -3.638 0.928 -0.438 30 2HB CYS 5 1HB CYS 5 -5.094 0.165 -1.061 31 H ALA 6 H ALA 6 -5.079 3.668 -2.984 32 HA ALA 6 HA ALA 6 -7.905 3.371 -3.674 33 1HB ALA 6 1HB ALA 6 -7.069 5.068 -5.529 34 2HB ALA 6 2HB ALA 6 -5.777 5.327 -4.356 35 3HB ALA 6 3HB ALA 6 -7.457 5.596 -3.891 36 H LEU 7 H LEU 7 -4.705 2.500 -4.775 37 HA LEU 7 HA LEU 7 -5.830 1.308 -7.202 38 1HB LEU 7 2HB LEU 7 -3.573 1.198 -8.022 39 2HB LEU 7 1HB LEU 7 -3.914 2.822 -7.471 40 HG LEU 7 HG LEU 7 -2.785 1.562 -5.256 41 1HD1 LEU 7 1HD1 LEU 7 -1.188 0.892 -7.721 42 2HD1 LEU 7 2HD1 LEU 7 -2.080 -0.275 -6.746 43 3HD1 LEU 7 3HD1 LEU 7 -0.720 0.601 -6.046 44 1HD2 LEU 7 1HD2 LEU 7 -2.204 3.757 -5.534 45 2HD2 LEU 7 2HD2 LEU 7 -1.927 3.579 -7.267 46 3HD2 LEU 7 3HD2 LEU 7 -0.735 2.974 -6.116 47 H SER 8 H SER 8 -6.595 -0.672 -6.735 48 HA SER 8 HA SER 8 -5.895 -2.398 -4.745 49 1HB SER 8 2HB SER 8 -7.666 -2.516 -6.769 50 2HB SER 8 1HB SER 8 -6.476 -3.677 -7.357 51 HG SER 8 HG SER 8 -8.310 -3.972 -5.416 52 H LYS 9 H LYS 9 -4.798 -4.561 -4.956 53 HA LYS 9 HA LYS 9 -2.913 -5.800 -5.237 54 1HB LYS 9 2HB LYS 9 -2.633 -4.239 -7.811 55 2HB LYS 9 1HB LYS 9 -1.767 -5.713 -7.405 56 1HG LYS 9 2HG LYS 9 -4.761 -5.524 -7.631 57 2HG LYS 9 1HG LYS 9 -3.693 -6.044 -8.935 58 1HD LYS 9 2HD LYS 9 -4.234 -8.080 -8.050 59 2HD LYS 9 1HD LYS 9 -2.814 -7.703 -7.072 60 1HE LYS 9 2HE LYS 9 -4.187 -8.178 -5.352 61 2HE LYS 9 1HE LYS 9 -4.747 -6.525 -5.602 62 1HZ LYS 9 1HZ LYS 9 -5.989 -8.885 -6.900 63 2HZ LYS 9 2HZ LYS 9 -6.585 -7.303 -6.858 64 3HZ LYS 9 3HZ LYS 9 -6.539 -8.225 -5.441 65 H CYS 10 H CYS 10 -1.583 -5.188 -3.625 66 HA CYS 10 HA CYS 10 0.637 -3.474 -4.285 67 1HB CYS 10 2HB CYS 10 -1.469 -2.631 -2.326 68 2HB CYS 10 1HB CYS 10 0.208 -2.172 -2.051 69 H ALA 11 H ALA 11 -1.032 -4.885 -1.467 70 HA ALA 11 HA ALA 11 1.512 -6.181 -0.735 71 1HB ALA 11 1HB ALA 11 1.409 -5.397 1.352 72 2HB ALA 11 2HB ALA 11 -0.314 -5.751 1.493 73 3HB ALA 11 3HB ALA 11 0.219 -4.250 0.737 74 H ALA 12 H ALA 12 1.423 -8.321 -0.773 75 HA ALA 12 HA ALA 12 -1.192 -9.637 -0.767 76 1HB ALA 12 1HB ALA 12 0.870 -9.986 -2.447 77 2HB ALA 12 2HB ALA 12 -0.307 -11.249 -2.082 78 3HB ALA 12 3HB ALA 12 1.249 -11.226 -1.250 79 H ALA 13 H ALA 13 0.096 -8.604 1.680 80 HA ALA 13 HA ALA 13 -0.484 -10.737 3.410 81 1HB ALA 13 1HB ALA 13 2.414 -10.222 3.670 82 2HB ALA 13 2HB ALA 13 1.908 -11.224 2.310 83 3HB ALA 13 3HB ALA 13 1.492 -11.697 3.956 84 H ALA 14 H ALA 14 -1.080 -7.967 3.155 85 HA ALA 14 HA ALA 14 -1.411 -6.148 4.478 86 1HB ALA 14 1HB ALA 14 -1.668 -6.525 6.687 87 2HB ALA 14 2HB ALA 14 -0.074 -7.260 6.856 88 3HB ALA 14 3HB ALA 14 -1.417 -8.207 6.218 89 H ASN 15 H ASN 15 1.060 -6.514 2.964 90 HA ASN 15 HA ASN 15 3.149 -5.301 4.555 91 1HB ASN 15 2HB ASN 15 3.266 -6.959 2.446 92 2HB ASN 15 1HB ASN 15 3.388 -5.421 1.596 93 1HD2 ASN 15 1HD2 ASN 15 5.510 -6.369 1.049 94 2HD2 ASN 15 2HD2 ASN 15 6.827 -6.083 2.130 95 H VAL 16 H VAL 16 1.751 -3.438 5.095 96 HA VAL 16 HA VAL 16 0.846 -1.568 3.234 97 HB VAL 16 HB VAL 16 1.842 -0.974 6.021 98 1HG1 VAL 16 1HG1 VAL 16 -0.247 0.686 5.604 99 2HG1 VAL 16 2HG1 VAL 16 0.409 0.578 3.970 100 3HG1 VAL 16 3HG1 VAL 16 1.435 1.123 5.296 101 1HG2 VAL 16 1HG2 VAL 16 -0.011 -1.873 6.912 102 2HG2 VAL 16 2HG2 VAL 16 -0.100 -2.781 5.403 103 3HG2 VAL 16 3HG2 VAL 16 -1.039 -1.301 5.597 104 H ALA 17 H ALA 17 3.975 -1.791 4.899 105 HA ALA 17 HA ALA 17 5.094 0.596 4.041 106 1HB ALA 17 1HB ALA 17 6.849 -1.801 4.113 107 2HB ALA 17 2HB ALA 17 5.998 -1.358 5.592 108 3HB ALA 17 3HB ALA 17 7.086 -0.203 4.821 109 H ALA 18 H ALA 18 5.002 -2.545 2.402 110 HA ALA 18 HA ALA 18 6.540 -1.789 0.156 111 1HB ALA 18 1HB ALA 18 5.498 -3.737 -0.953 112 2HB ALA 18 2HB ALA 18 4.387 -3.891 0.408 113 3HB ALA 18 3HB ALA 18 6.118 -4.124 0.653 114 H HIS 19 H HIS 19 3.256 -1.273 1.085 115 HA HIS 19 HA HIS 19 2.324 -0.478 -1.516 116 1HB HIS 19 2HB HIS 19 0.538 -1.275 -0.335 117 2HB HIS 19 1HB HIS 19 1.192 -0.763 1.210 118 HD2 HIS 19 2HD HIS 19 0.275 1.594 2.169 119 HE1 HIS 19 1HE HIS 19 -2.201 2.526 -1.114 120 HE2 HIS 19 2HE HIS 19 -1.461 3.241 1.197 121 H MET 20 H MET 20 2.748 1.269 1.585 122 HA MET 20 HA MET 20 2.335 3.818 0.520 123 1HB MET 20 2HB MET 20 2.395 3.142 2.956 124 2HB MET 20 1HB MET 20 4.146 3.232 2.845 125 1HG MET 20 2HG MET 20 4.163 5.497 2.725 126 2HG MET 20 1HG MET 20 2.597 5.577 1.921 127 1HE MET 20 1HE MET 20 2.111 7.787 3.698 128 2HE MET 20 2HE MET 20 0.744 7.197 4.641 129 3HE MET 20 3HE MET 20 0.888 6.772 2.935 130 H THR 21 H THR 21 5.177 1.801 0.529 131 HA THR 21 HA THR 21 7.172 3.658 0.079 132 HB THR 21 HB THR 21 6.798 0.894 -1.010 133 HG1 THR 21 1HG THR 21 7.203 1.312 1.286 134 1HG2 THR 21 1HG2 THR 21 9.147 0.835 -1.594 135 2HG2 THR 21 2HG2 THR 21 9.306 2.539 -1.170 136 3HG2 THR 21 3HG2 THR 21 8.300 2.060 -2.537 137 H HIS 22 H HIS 22 4.525 2.744 -1.911 138 HA HIS 22 HA HIS 22 5.460 4.586 -3.988 139 1HB HIS 22 2HB HIS 22 4.527 3.053 -5.716 140 2HB HIS 22 1HB HIS 22 5.906 2.374 -4.856 141 HD1 HIS 22 1HD HIS 22 5.499 -0.051 -4.569 142 HD2 HIS 22 2HD HIS 22 2.052 2.184 -3.981 143 HE1 HIS 22 1HE HIS 22 3.734 -1.703 -3.871 144 HE2 HIS 22 2HE HIS 22 1.708 -0.301 -3.373 145 H CYS 23 H CYS 23 3.056 3.818 -1.783 146 HA CYS 23 HA CYS 23 1.008 5.140 -3.437 147 1HB CYS 23 2HB CYS 23 0.837 2.935 -1.431 148 2HB CYS 23 1HB CYS 23 -0.478 4.096 -1.484 149 H ALA 24 H ALA 24 0.720 7.194 -2.914 150 HA ALA 24 HA ALA 24 0.163 8.031 -0.261 151 1HB ALA 24 1HB ALA 24 2.808 7.795 -0.564 152 2HB ALA 24 2HB ALA 24 2.066 9.036 0.447 153 3HB ALA 24 3HB ALA 24 2.597 9.431 -1.188 154 H LYS 25 H LYS 25 -1.065 8.218 -2.818 155 HA LYS 25 HA LYS 25 -1.498 11.085 -2.898 156 1HB LYS 25 2HB LYS 25 -1.181 11.270 -5.310 157 2HB LYS 25 1HB LYS 25 0.308 10.758 -4.528 158 1HG LYS 25 2HG LYS 25 -1.509 8.661 -5.587 159 2HG LYS 25 1HG LYS 25 -0.567 9.616 -6.733 160 1HD LYS 25 2HD LYS 25 0.934 8.605 -4.413 161 2HD LYS 25 1HD LYS 25 0.328 7.365 -5.513 162 1HE LYS 25 2HE LYS 25 1.317 9.050 -7.320 163 2HE LYS 25 1HE LYS 25 2.352 9.488 -5.961 164 1HZ LYS 25 1HZ LYS 25 2.908 7.507 -7.629 165 2HZ LYS 25 2HZ LYS 25 2.032 6.642 -6.469 166 3HZ LYS 25 3HZ LYS 25 3.409 7.513 -6.013 Start of MODEL 8 1 1H ALA 1 1HT ALA 1 -1.301 4.693 4.211 2 2H ALA 1 2HT ALA 1 -2.307 4.362 2.861 3 3H ALA 1 3HT ALA 1 -0.697 3.769 2.901 4 HA ALA 1 HA ALA 1 -1.154 2.230 4.508 5 1HB ALA 1 1HB ALA 1 -2.690 4.083 5.663 6 2HB ALA 1 2HB ALA 1 -2.785 2.371 6.077 7 3HB ALA 1 3HB ALA 1 -3.955 3.075 4.961 8 H VAL 2 H VAL 2 -1.590 0.335 3.725 9 HA VAL 2 HA VAL 2 -2.660 -0.097 1.212 10 HB VAL 2 HB VAL 2 -1.165 -1.600 2.597 11 1HG1 VAL 2 1HG1 VAL 2 -2.962 -1.619 4.484 12 2HG1 VAL 2 2HG1 VAL 2 -2.006 -3.067 4.164 13 3HG1 VAL 2 3HG1 VAL 2 -3.655 -2.945 3.550 14 1HG2 VAL 2 1HG2 VAL 2 -2.147 -3.698 1.565 15 2HG2 VAL 2 2HG2 VAL 2 -1.834 -2.357 0.460 16 3HG2 VAL 2 3HG2 VAL 2 -3.479 -2.684 1.008 17 H SER 3 H SER 3 -4.286 0.273 4.235 18 HA SER 3 HA SER 3 -6.688 -1.096 3.565 19 1HB SER 3 2HB SER 3 -5.880 0.865 5.683 20 2HB SER 3 1HB SER 3 -7.592 0.522 5.435 21 HG SER 3 HG SER 3 -7.265 -1.211 6.557 22 H ALA 4 H ALA 4 -5.533 2.201 3.191 23 HA ALA 4 HA ALA 4 -8.044 2.922 1.841 24 1HB ALA 4 1HB ALA 4 -6.059 5.030 2.389 25 2HB ALA 4 2HB ALA 4 -6.792 4.274 3.804 26 3HB ALA 4 3HB ALA 4 -7.811 5.039 2.586 27 H CYS 5 H CYS 5 -5.618 1.390 0.798 28 HA CYS 5 HA CYS 5 -4.096 2.834 -0.984 29 1HB CYS 5 2HB CYS 5 -3.696 0.482 -0.574 30 2HB CYS 5 1HB CYS 5 -5.244 0.055 -1.294 31 H ALA 6 H ALA 6 -4.339 3.682 -2.982 32 HA ALA 6 HA ALA 6 -7.050 4.127 -3.891 33 1HB ALA 6 1HB ALA 6 -4.498 5.137 -5.131 34 2HB ALA 6 2HB ALA 6 -5.325 5.933 -3.794 35 3HB ALA 6 3HB ALA 6 -6.129 5.770 -5.355 36 H LEU 7 H LEU 7 -4.239 2.282 -4.885 37 HA LEU 7 HA LEU 7 -5.614 1.508 -7.355 38 1HB LEU 7 2HB LEU 7 -3.359 0.344 -7.795 39 2HB LEU 7 1HB LEU 7 -3.459 2.085 -7.943 40 HG LEU 7 HG LEU 7 -2.676 1.247 -5.266 41 1HD1 LEU 7 1HD1 LEU 7 -1.634 -0.614 -6.353 42 2HD1 LEU 7 2HD1 LEU 7 -0.387 0.561 -5.935 43 3HD1 LEU 7 3HD1 LEU 7 -0.959 0.434 -7.600 44 1HD2 LEU 7 1HD2 LEU 7 -2.231 3.446 -5.619 45 2HD2 LEU 7 2HD2 LEU 7 -1.892 3.216 -7.334 46 3HD2 LEU 7 3HD2 LEU 7 -0.681 2.775 -6.130 47 H SER 8 H SER 8 -4.874 -0.923 -7.937 48 HA SER 8 HA SER 8 -6.485 -2.633 -6.568 49 1HB SER 8 2HB SER 8 -4.033 -3.095 -8.229 50 2HB SER 8 1HB SER 8 -4.824 -4.459 -7.439 51 HG SER 8 HG SER 8 -5.689 -2.873 -9.547 52 H LYS 9 H LYS 9 -5.815 -4.641 -5.330 53 HA LYS 9 HA LYS 9 -4.794 -3.928 -2.838 54 1HB LYS 9 2HB LYS 9 -5.435 -6.498 -4.195 55 2HB LYS 9 1HB LYS 9 -4.457 -6.574 -2.736 56 1HG LYS 9 2HG LYS 9 -6.161 -5.883 -1.388 57 2HG LYS 9 1HG LYS 9 -6.945 -4.955 -2.667 58 1HD LYS 9 2HD LYS 9 -7.607 -7.084 -3.746 59 2HD LYS 9 1HD LYS 9 -6.907 -7.959 -2.383 60 1HE LYS 9 2HE LYS 9 -8.507 -6.259 -1.057 61 2HE LYS 9 1HE LYS 9 -9.413 -6.402 -2.563 62 1HZ LYS 9 1HZ LYS 9 -8.465 -8.892 -1.401 63 2HZ LYS 9 2HZ LYS 9 -9.941 -8.538 -2.147 64 3HZ LYS 9 3HZ LYS 9 -9.679 -8.091 -0.537 65 H CYS 10 H CYS 10 -2.793 -3.228 -2.480 66 HA CYS 10 HA CYS 10 -0.554 -4.087 -4.057 67 1HB CYS 10 2HB CYS 10 -0.876 -2.256 -1.693 68 2HB CYS 10 1HB CYS 10 0.719 -2.696 -2.294 69 H ALA 11 H ALA 11 1.163 -5.368 -3.447 70 HA ALA 11 HA ALA 11 2.231 -7.094 -2.417 71 1HB ALA 11 1HB ALA 11 2.423 -5.345 -0.632 72 2HB ALA 11 2HB ALA 11 2.489 -7.009 -0.050 73 3HB ALA 11 3HB ALA 11 1.009 -6.067 0.137 74 H ALA 12 H ALA 12 1.629 -8.787 -0.374 75 HA ALA 12 HA ALA 12 -1.103 -9.716 -0.664 76 1HB ALA 12 1HB ALA 12 -0.163 -10.756 -2.592 77 2HB ALA 12 2HB ALA 12 -0.350 -12.002 -1.358 78 3HB ALA 12 3HB ALA 12 1.240 -11.312 -1.679 79 H ALA 13 H ALA 13 0.464 -8.737 1.530 80 HA ALA 13 HA ALA 13 -0.044 -10.845 3.406 81 1HB ALA 13 1HB ALA 13 2.138 -11.573 2.636 82 2HB ALA 13 2HB ALA 13 2.240 -10.991 4.298 83 3HB ALA 13 3HB ALA 13 2.811 -9.978 2.973 84 H ALA 14 H ALA 14 -0.829 -8.067 2.898 85 HA ALA 14 HA ALA 14 -1.348 -6.206 4.096 86 1HB ALA 14 1HB ALA 14 -0.679 -6.496 6.680 87 2HB ALA 14 2HB ALA 14 -0.682 -8.187 6.179 88 3HB ALA 14 3HB ALA 14 -2.129 -7.203 5.968 89 H ASN 15 H ASN 15 1.260 -6.494 2.837 90 HA ASN 15 HA ASN 15 3.175 -5.216 4.571 91 1HB ASN 15 2HB ASN 15 3.438 -6.780 2.370 92 2HB ASN 15 1HB ASN 15 3.645 -5.187 1.650 93 1HD2 ASN 15 1HD2 ASN 15 4.867 -3.909 3.826 94 2HD2 ASN 15 2HD2 ASN 15 6.447 -4.579 4.029 95 H VAL 16 H VAL 16 1.733 -3.413 5.102 96 HA VAL 16 HA VAL 16 0.825 -1.524 3.265 97 HB VAL 16 HB VAL 16 1.708 -0.978 6.100 98 1HG1 VAL 16 1HG1 VAL 16 -0.440 0.620 5.608 99 2HG1 VAL 16 2HG1 VAL 16 0.362 0.611 4.036 100 3HG1 VAL 16 3HG1 VAL 16 1.244 1.128 5.474 101 1HG2 VAL 16 1HG2 VAL 16 -0.158 -1.941 6.897 102 2HG2 VAL 16 2HG2 VAL 16 -0.150 -2.824 5.370 103 3HG2 VAL 16 3HG2 VAL 16 -1.145 -1.379 5.549 104 H ALA 17 H ALA 17 3.903 -1.674 5.030 105 HA ALA 17 HA ALA 17 4.950 0.772 4.236 106 1HB ALA 17 1HB ALA 17 7.209 -0.470 4.461 107 2HB ALA 17 2HB ALA 17 6.222 -1.834 4.985 108 3HB ALA 17 3HB ALA 17 6.175 -0.317 5.883 109 H ALA 18 H ALA 18 5.053 -2.360 2.586 110 HA ALA 18 HA ALA 18 6.660 -1.510 0.413 111 1HB ALA 18 1HB ALA 18 4.642 -3.615 -0.081 112 2HB ALA 18 2HB ALA 18 5.788 -3.915 1.225 113 3HB ALA 18 3HB ALA 18 6.375 -3.604 -0.409 114 H HIS 19 H HIS 19 3.320 -1.194 1.208 115 HA HIS 19 HA HIS 19 2.429 -0.481 -1.427 116 1HB HIS 19 2HB HIS 19 0.657 -1.360 -0.291 117 2HB HIS 19 1HB HIS 19 1.240 -0.800 1.268 118 HD2 HIS 19 2HD HIS 19 0.152 1.497 2.188 119 HE1 HIS 19 1HE HIS 19 -2.259 2.280 -1.181 120 HE2 HIS 19 2HE HIS 19 -1.641 3.040 1.151 121 H MET 20 H MET 20 2.687 1.330 1.654 122 HA MET 20 HA MET 20 2.148 3.835 0.529 123 1HB MET 20 2HB MET 20 2.183 3.185 2.984 124 2HB MET 20 1HB MET 20 3.923 3.421 2.918 125 1HG MET 20 2HG MET 20 3.756 5.677 2.760 126 2HG MET 20 1HG MET 20 2.214 5.613 1.907 127 1HE MET 20 1HE MET 20 1.394 7.461 2.948 128 2HE MET 20 2HE MET 20 0.861 7.655 4.618 129 3HE MET 20 3HE MET 20 -0.058 6.635 3.511 130 H THR 21 H THR 21 5.085 1.979 0.614 131 HA THR 21 HA THR 21 7.020 3.912 0.241 132 HB THR 21 HB THR 21 7.168 1.300 0.311 133 HG1 THR 21 1HG THR 21 9.247 1.454 -0.543 134 1HG2 THR 21 1HG2 THR 21 7.307 0.104 -1.628 135 2HG2 THR 21 2HG2 THR 21 7.611 1.532 -2.617 136 3HG2 THR 21 3HG2 THR 21 5.987 1.210 -2.010 137 H HIS 22 H HIS 22 4.489 2.878 -1.849 138 HA HIS 22 HA HIS 22 5.335 4.848 -3.854 139 1HB HIS 22 2HB HIS 22 4.473 3.291 -5.619 140 2HB HIS 22 1HB HIS 22 5.912 2.706 -4.787 141 HD1 HIS 22 1HD HIS 22 5.723 0.272 -4.396 142 HD2 HIS 22 2HD HIS 22 2.069 2.195 -3.997 143 HE1 HIS 22 1HE HIS 22 4.088 -1.517 -3.719 144 HE2 HIS 22 2HE HIS 22 1.930 -0.294 -3.327 145 H CYS 23 H CYS 23 2.917 3.825 -1.741 146 HA CYS 23 HA CYS 23 0.833 5.092 -3.388 147 1HB CYS 23 2HB CYS 23 0.751 2.864 -1.393 148 2HB CYS 23 1HB CYS 23 -0.634 3.938 -1.499 149 H ALA 24 H ALA 24 2.654 6.708 -2.062 150 HA ALA 24 HA ALA 24 1.288 7.633 0.356 151 1HB ALA 24 1HB ALA 24 3.913 7.326 -0.081 152 2HB ALA 24 2HB ALA 24 3.256 8.515 1.044 153 3HB ALA 24 3HB ALA 24 3.730 9.008 -0.582 154 H LYS 25 H LYS 25 -0.050 8.011 -2.110 155 HA LYS 25 HA LYS 25 -0.357 10.894 -2.028 156 1HB LYS 25 2HB LYS 25 -0.164 11.182 -4.446 157 2HB LYS 25 1HB LYS 25 1.342 10.577 -3.770 158 1HG LYS 25 2HG LYS 25 0.199 8.250 -4.424 159 2HG LYS 25 1HG LYS 25 -0.558 9.294 -5.628 160 1HD LYS 25 2HD LYS 25 2.341 9.666 -5.281 161 2HD LYS 25 1HD LYS 25 1.855 8.102 -5.940 162 1HE LYS 25 2HE LYS 25 0.306 9.724 -7.418 163 2HE LYS 25 1HE LYS 25 1.664 10.807 -7.114 164 1HZ LYS 25 1HZ LYS 25 3.158 9.239 -8.076 165 2HZ LYS 25 2HZ LYS 25 1.881 9.460 -9.162 166 3HZ LYS 25 3HZ LYS 25 1.948 8.064 -8.210 Start of MODEL 9 1 1H ALA 1 1HT ALA 1 -0.731 3.755 2.824 2 2H ALA 1 2HT ALA 1 -1.200 4.674 4.196 3 3H ALA 1 3HT ALA 1 -2.308 4.423 2.909 4 HA ALA 1 HA ALA 1 -1.151 2.240 4.497 5 1HB ALA 1 1HB ALA 1 -2.312 3.263 6.177 6 2HB ALA 1 2HB ALA 1 -3.618 2.332 5.444 7 3HB ALA 1 3HB ALA 1 -3.442 4.046 5.072 8 H VAL 2 H VAL 2 -1.612 0.349 3.716 9 HA VAL 2 HA VAL 2 -2.703 -0.075 1.211 10 HB VAL 2 HB VAL 2 -1.220 -1.593 2.598 11 1HG1 VAL 2 1HG1 VAL 2 -3.856 -2.627 3.635 12 2HG1 VAL 2 2HG1 VAL 2 -2.715 -1.663 4.574 13 3HG1 VAL 2 3HG1 VAL 2 -2.249 -3.260 3.990 14 1HG2 VAL 2 1HG2 VAL 2 -2.213 -3.677 1.561 15 2HG2 VAL 2 2HG2 VAL 2 -1.911 -2.335 0.457 16 3HG2 VAL 2 3HG2 VAL 2 -3.550 -2.662 1.018 17 H SER 3 H SER 3 -4.307 0.316 4.244 18 HA SER 3 HA SER 3 -6.730 -1.021 3.587 19 1HB SER 3 2HB SER 3 -5.797 0.803 5.737 20 2HB SER 3 1HB SER 3 -7.537 0.747 5.452 21 HG SER 3 HG SER 3 -7.593 -1.314 6.065 22 H ALA 4 H ALA 4 -5.533 2.260 3.207 23 HA ALA 4 HA ALA 4 -8.042 3.018 1.876 24 1HB ALA 4 1HB ALA 4 -6.020 5.096 2.408 25 2HB ALA 4 2HB ALA 4 -6.754 4.352 3.829 26 3HB ALA 4 3HB ALA 4 -7.771 5.131 2.618 27 H CYS 5 H CYS 5 -5.643 1.452 0.816 28 HA CYS 5 HA CYS 5 -4.119 2.878 -0.980 29 1HB CYS 5 2HB CYS 5 -3.737 0.523 -0.566 30 2HB CYS 5 1HB CYS 5 -5.294 0.109 -1.274 31 H ALA 6 H ALA 6 -4.366 3.706 -2.991 32 HA ALA 6 HA ALA 6 -7.084 4.168 -3.879 33 1HB ALA 6 1HB ALA 6 -5.636 5.458 -5.713 34 2HB ALA 6 2HB ALA 6 -4.435 5.362 -4.425 35 3HB ALA 6 3HB ALA 6 -5.992 6.136 -4.124 36 H LEU 7 H LEU 7 -4.286 2.311 -4.878 37 HA LEU 7 HA LEU 7 -5.670 1.544 -7.348 38 1HB LEU 7 2HB LEU 7 -3.420 0.375 -7.797 39 2HB LEU 7 1HB LEU 7 -3.512 2.117 -7.937 40 HG LEU 7 HG LEU 7 -2.729 1.273 -5.265 41 1HD1 LEU 7 1HD1 LEU 7 -1.746 -0.606 -6.471 42 2HD1 LEU 7 2HD1 LEU 7 -0.503 0.481 -5.850 43 3HD1 LEU 7 3HD1 LEU 7 -0.932 0.517 -7.561 44 1HD2 LEU 7 1HD2 LEU 7 -1.930 3.229 -7.339 45 2HD2 LEU 7 2HD2 LEU 7 -0.717 2.775 -6.141 46 3HD2 LEU 7 3HD2 LEU 7 -2.255 3.464 -5.621 47 H SER 8 H SER 8 -4.937 -0.889 -7.932 48 HA SER 8 HA SER 8 -6.547 -2.591 -6.548 49 1HB SER 8 2HB SER 8 -5.621 -3.188 -8.709 50 2HB SER 8 1HB SER 8 -3.999 -3.274 -8.025 51 HG SER 8 HG SER 8 -5.503 -5.272 -8.284 52 H LYS 9 H LYS 9 -5.835 -4.629 -5.349 53 HA LYS 9 HA LYS 9 -4.823 -3.941 -2.852 54 1HB LYS 9 2HB LYS 9 -6.119 -6.089 -3.805 55 2HB LYS 9 1HB LYS 9 -4.494 -6.757 -3.729 56 1HG LYS 9 2HG LYS 9 -4.355 -6.390 -1.394 57 2HG LYS 9 1HG LYS 9 -5.817 -5.403 -1.395 58 1HD LYS 9 2HD LYS 9 -5.859 -8.275 -2.269 59 2HD LYS 9 1HD LYS 9 -6.004 -7.825 -0.569 60 1HE LYS 9 2HE LYS 9 -7.980 -6.542 -1.015 61 2HE LYS 9 1HE LYS 9 -7.787 -6.764 -2.754 62 1HZ LYS 9 1HZ LYS 9 -8.031 -9.206 -2.311 63 2HZ LYS 9 2HZ LYS 9 -9.425 -8.284 -2.051 64 3HZ LYS 9 3HZ LYS 9 -8.504 -8.810 -0.735 65 H CYS 10 H CYS 10 -2.840 -3.362 -2.302 66 HA CYS 10 HA CYS 10 -0.571 -4.129 -3.943 67 1HB CYS 10 2HB CYS 10 -0.942 -2.222 -1.645 68 2HB CYS 10 1HB CYS 10 0.661 -2.645 -2.235 69 H ALA 11 H ALA 11 1.415 -4.954 -2.955 70 HA ALA 11 HA ALA 11 2.556 -6.550 -1.804 71 1HB ALA 11 1HB ALA 11 1.582 -6.784 0.686 72 2HB ALA 11 2HB ALA 11 0.883 -5.229 0.238 73 3HB ALA 11 3HB ALA 11 2.630 -5.460 0.175 74 H ALA 12 H ALA 12 2.033 -8.541 -0.149 75 HA ALA 12 HA ALA 12 -0.405 -9.894 -1.033 76 1HB ALA 12 1HB ALA 12 2.383 -10.762 -1.638 77 2HB ALA 12 2HB ALA 12 0.943 -10.809 -2.655 78 3HB ALA 12 3HB ALA 12 1.141 -11.980 -1.352 79 H ALA 13 H ALA 13 0.511 -8.761 1.505 80 HA ALA 13 HA ALA 13 -0.305 -10.822 3.234 81 1HB ALA 13 1HB ALA 13 1.691 -11.943 3.158 82 2HB ALA 13 2HB ALA 13 2.000 -10.836 4.496 83 3HB ALA 13 3HB ALA 13 2.632 -10.476 2.890 84 H ALA 14 H ALA 14 -0.921 -8.092 2.772 85 HA ALA 14 HA ALA 14 -1.479 -6.228 3.949 86 1HB ALA 14 1HB ALA 14 -1.676 -6.343 6.302 87 2HB ALA 14 2HB ALA 14 -0.444 -7.598 6.419 88 3HB ALA 14 3HB ALA 14 -2.013 -7.967 5.703 89 H ASN 15 H ASN 15 1.157 -6.523 2.770 90 HA ASN 15 HA ASN 15 3.034 -5.271 4.563 91 1HB ASN 15 2HB ASN 15 3.133 -6.588 2.010 92 2HB ASN 15 1HB ASN 15 3.937 -5.027 1.889 93 1HD2 ASN 15 1HD2 ASN 15 5.239 -4.619 4.085 94 2HD2 ASN 15 2HD2 ASN 15 6.341 -5.895 4.461 95 H VAL 16 H VAL 16 1.672 -3.434 5.095 96 HA VAL 16 HA VAL 16 0.773 -1.536 3.259 97 HB VAL 16 HB VAL 16 1.690 -0.992 6.083 98 1HG1 VAL 16 1HG1 VAL 16 1.225 1.114 5.464 99 2HG1 VAL 16 2HG1 VAL 16 -0.461 0.614 5.597 100 3HG1 VAL 16 3HG1 VAL 16 0.343 0.599 4.027 101 1HG2 VAL 16 1HG2 VAL 16 -0.999 -1.207 6.250 102 2HG2 VAL 16 2HG2 VAL 16 0.120 -2.525 6.595 103 3HG2 VAL 16 3HG2 VAL 16 -0.653 -2.416 5.014 104 H ALA 17 H ALA 17 3.864 -1.744 4.993 105 HA ALA 17 HA ALA 17 4.943 0.687 4.190 106 1HB ALA 17 1HB ALA 17 6.103 -1.918 5.046 107 2HB ALA 17 2HB ALA 17 6.241 -0.322 5.786 108 3HB ALA 17 3HB ALA 17 7.179 -0.710 4.343 109 H ALA 18 H ALA 18 4.979 -2.451 2.549 110 HA ALA 18 HA ALA 18 6.587 -1.635 0.363 111 1HB ALA 18 1HB ALA 18 6.157 -3.702 -0.551 112 2HB ALA 18 2HB ALA 18 4.491 -3.732 0.028 113 3HB ALA 18 3HB ALA 18 5.821 -4.022 1.150 114 H HIS 19 H HIS 19 3.259 -1.255 1.182 115 HA HIS 19 HA HIS 19 2.364 -0.534 -1.451 116 1HB HIS 19 2HB HIS 19 0.585 -1.383 -0.304 117 2HB HIS 19 1HB HIS 19 1.185 -0.831 1.251 118 HD2 HIS 19 2HD HIS 19 0.141 1.485 2.173 119 HE1 HIS 19 1HE HIS 19 -2.283 2.298 -1.179 120 HE2 HIS 19 2HE HIS 19 -1.636 3.054 1.147 121 H MET 20 H MET 20 2.670 1.277 1.626 122 HA MET 20 HA MET 20 2.165 3.788 0.500 123 1HB MET 20 2HB MET 20 2.202 3.143 2.955 124 2HB MET 20 1HB MET 20 3.946 3.348 2.879 125 1HG MET 20 2HG MET 20 3.094 5.674 1.783 126 2HG MET 20 1HG MET 20 1.806 5.347 2.941 127 1HE MET 20 1HE MET 20 2.638 5.983 6.042 128 2HE MET 20 2HE MET 20 3.664 4.549 6.062 129 3HE MET 20 3HE MET 20 2.165 4.547 5.134 130 H THR 21 H THR 21 5.074 1.888 0.573 131 HA THR 21 HA THR 21 7.035 3.790 0.185 132 HB THR 21 HB THR 21 7.145 1.177 0.259 133 HG1 THR 21 1HG THR 21 8.906 2.643 -1.404 134 1HG2 THR 21 1HG2 THR 21 7.133 -0.041 -1.634 135 2HG2 THR 21 2HG2 THR 21 7.667 1.308 -2.639 136 3HG2 THR 21 3HG2 THR 21 5.981 1.200 -2.128 137 H HIS 22 H HIS 22 4.477 2.790 -1.890 138 HA HIS 22 HA HIS 22 5.341 4.741 -3.904 139 1HB HIS 22 2HB HIS 22 4.451 3.193 -5.661 140 2HB HIS 22 1HB HIS 22 5.882 2.586 -4.831 141 HD1 HIS 22 1HD HIS 22 5.650 0.154 -4.443 142 HD2 HIS 22 2HD HIS 22 2.034 2.146 -4.022 143 HE1 HIS 22 1HE HIS 22 3.986 -1.604 -3.754 144 HE2 HIS 22 2HE HIS 22 1.853 -0.340 -3.350 145 H CYS 23 H CYS 23 2.920 3.761 -1.775 146 HA CYS 23 HA CYS 23 0.846 5.053 -3.416 147 1HB CYS 23 2HB CYS 23 0.741 2.831 -1.414 148 2HB CYS 23 1HB CYS 23 -0.627 3.926 -1.515 149 H ALA 24 H ALA 24 2.297 6.931 -2.472 150 HA ALA 24 HA ALA 24 1.201 7.755 0.131 151 1HB ALA 24 1HB ALA 24 3.778 7.640 -0.504 152 2HB ALA 24 2HB ALA 24 3.132 8.869 0.582 153 3HB ALA 24 3HB ALA 24 3.435 9.260 -1.111 154 H LYS 25 H LYS 25 -0.381 7.940 -2.222 155 HA LYS 25 HA LYS 25 -0.939 10.787 -2.165 156 1HB LYS 25 2HB LYS 25 -0.974 11.037 -4.590 157 2HB LYS 25 1HB LYS 25 0.629 10.564 -4.045 158 1HG LYS 25 2HG LYS 25 -1.241 8.418 -4.881 159 2HG LYS 25 1HG LYS 25 -0.528 9.438 -6.132 160 1HD LYS 25 2HD LYS 25 1.352 8.446 -4.097 161 2HD LYS 25 1HD LYS 25 0.639 7.206 -5.132 162 1HE LYS 25 2HE LYS 25 1.621 9.644 -6.482 163 2HE LYS 25 1HE LYS 25 2.848 8.588 -5.781 164 1HZ LYS 25 1HZ LYS 25 1.853 8.255 -8.217 165 2HZ LYS 25 2HZ LYS 25 0.780 7.279 -7.347 166 3HZ LYS 25 3HZ LYS 25 2.442 6.975 -7.279 Start of MODEL 10 1 1H ALA 1 1HT ALA 1 -0.779 3.745 2.730 2 2H ALA 1 2HT ALA 1 -1.519 4.674 3.968 3 3H ALA 1 3HT ALA 1 -2.411 4.242 2.568 4 HA ALA 1 HA ALA 1 -1.243 2.203 4.306 5 1HB ALA 1 1HB ALA 1 -3.687 3.856 4.783 6 2HB ALA 1 2HB ALA 1 -2.467 3.297 5.928 7 3HB ALA 1 3HB ALA 1 -3.655 2.165 5.282 8 H VAL 2 H VAL 2 -1.603 0.289 3.531 9 HA VAL 2 HA VAL 2 -2.645 -0.206 1.018 10 HB VAL 2 HB VAL 2 -1.110 -1.642 2.436 11 1HG1 VAL 2 1HG1 VAL 2 -2.592 -1.780 4.403 12 2HG1 VAL 2 2HG1 VAL 2 -2.104 -3.367 3.809 13 3HG1 VAL 2 3HG1 VAL 2 -3.721 -2.755 3.461 14 1HG2 VAL 2 1HG2 VAL 2 -1.695 -2.462 0.313 15 2HG2 VAL 2 2HG2 VAL 2 -3.359 -2.784 0.800 16 3HG2 VAL 2 3HG2 VAL 2 -2.047 -3.789 1.420 17 H SER 3 H SER 3 -4.294 0.125 4.036 18 HA SER 3 HA SER 3 -6.653 -1.317 3.347 19 1HB SER 3 2HB SER 3 -5.706 -0.324 5.676 20 2HB SER 3 1HB SER 3 -6.871 0.934 5.265 21 HG SER 3 HG SER 3 -8.414 -0.816 4.994 22 H ALA 4 H ALA 4 -5.558 1.986 2.951 23 HA ALA 4 HA ALA 4 -8.078 2.638 1.574 24 1HB ALA 4 1HB ALA 4 -6.237 4.831 2.273 25 2HB ALA 4 2HB ALA 4 -6.990 3.994 3.630 26 3HB ALA 4 3HB ALA 4 -7.995 4.740 2.389 27 H CYS 5 H CYS 5 -5.563 1.255 0.578 28 HA CYS 5 HA CYS 5 -4.020 2.822 -1.075 29 1HB CYS 5 2HB CYS 5 -3.530 0.482 -0.765 30 2HB CYS 5 1HB CYS 5 -5.049 0.017 -1.520 31 H ALA 6 H ALA 6 -4.339 3.979 -2.855 32 HA ALA 6 HA ALA 6 -6.908 4.511 -3.848 33 1HB ALA 6 1HB ALA 6 -4.336 5.041 -5.317 34 2HB ALA 6 2HB ALA 6 -4.900 6.019 -3.962 35 3HB ALA 6 3HB ALA 6 -5.858 5.923 -5.439 36 H LEU 7 H LEU 7 -4.397 2.298 -4.946 37 HA LEU 7 HA LEU 7 -6.119 1.482 -7.172 38 1HB LEU 7 2HB LEU 7 -4.073 0.271 -7.967 39 2HB LEU 7 1HB LEU 7 -3.968 2.018 -7.969 40 HG LEU 7 HG LEU 7 -2.873 1.520 -5.566 41 1HD1 LEU 7 1HD1 LEU 7 -2.799 -1.012 -7.044 42 2HD1 LEU 7 2HD1 LEU 7 -2.629 -0.697 -5.318 43 3HD1 LEU 7 3HD1 LEU 7 -1.247 -0.485 -6.393 44 1HD2 LEU 7 1HD2 LEU 7 -1.691 2.874 -7.022 45 2HD2 LEU 7 2HD2 LEU 7 -1.685 1.664 -8.304 46 3HD2 LEU 7 3HD2 LEU 7 -0.648 1.458 -6.893 47 H SER 8 H SER 8 -5.629 -0.998 -7.696 48 HA SER 8 HA SER 8 -7.028 -2.505 -5.872 49 1HB SER 8 2HB SER 8 -6.137 -2.949 -8.377 50 2HB SER 8 1HB SER 8 -5.022 -3.978 -7.479 51 HG SER 8 HG SER 8 -6.615 -5.346 -7.496 52 H LYS 9 H LYS 9 -5.898 -4.774 -5.152 53 HA LYS 9 HA LYS 9 -4.509 -4.221 -2.818 54 1HB LYS 9 2HB LYS 9 -4.557 -6.775 -4.433 55 2HB LYS 9 1HB LYS 9 -3.958 -6.650 -2.784 56 1HG LYS 9 2HG LYS 9 -6.031 -6.534 -1.894 57 2HG LYS 9 1HG LYS 9 -6.693 -5.648 -3.268 58 1HD LYS 9 2HD LYS 9 -7.298 -7.531 -4.353 59 2HD LYS 9 1HD LYS 9 -5.856 -8.410 -3.841 60 1HE LYS 9 2HE LYS 9 -6.912 -8.521 -1.540 61 2HE LYS 9 1HE LYS 9 -8.397 -7.945 -2.298 62 1HZ LYS 9 1HZ LYS 9 -7.776 -10.516 -2.046 63 2HZ LYS 9 2HZ LYS 9 -7.121 -10.219 -3.577 64 3HZ LYS 9 3HZ LYS 9 -8.760 -9.918 -3.287 65 H CYS 10 H CYS 10 -2.463 -3.758 -2.350 66 HA CYS 10 HA CYS 10 -0.493 -3.820 -4.505 67 1HB CYS 10 2HB CYS 10 -0.854 -2.259 -2.016 68 2HB CYS 10 1HB CYS 10 0.811 -2.623 -2.460 69 H ALA 11 H ALA 11 -0.432 -4.516 -1.004 70 HA ALA 11 HA ALA 11 1.679 -6.482 -1.476 71 1HB ALA 11 1HB ALA 11 0.600 -5.340 1.099 72 2HB ALA 11 2HB ALA 11 2.083 -4.856 0.278 73 3HB ALA 11 3HB ALA 11 1.945 -6.472 0.969 74 H ALA 12 H ALA 12 1.437 -8.634 -1.176 75 HA ALA 12 HA ALA 12 -1.285 -9.599 -0.695 76 1HB ALA 12 1HB ALA 12 1.109 -10.725 -2.079 77 2HB ALA 12 2HB ALA 12 -0.551 -10.563 -2.653 78 3HB ALA 12 3HB ALA 12 -0.143 -11.812 -1.476 79 H ALA 13 H ALA 13 0.431 -8.672 1.485 80 HA ALA 13 HA ALA 13 0.046 -10.891 3.257 81 1HB ALA 13 1HB ALA 13 2.883 -9.962 2.845 82 2HB ALA 13 2HB ALA 13 2.220 -11.463 2.199 83 3HB ALA 13 3HB ALA 13 2.323 -11.223 3.943 84 H ALA 14 H ALA 14 -0.767 -8.092 2.967 85 HA ALA 14 HA ALA 14 -1.212 -6.311 4.308 86 1HB ALA 14 1HB ALA 14 -1.252 -6.604 6.622 87 2HB ALA 14 2HB ALA 14 0.115 -7.718 6.600 88 3HB ALA 14 3HB ALA 14 -1.456 -8.238 5.989 89 H ASN 15 H ASN 15 1.311 -6.527 2.861 90 HA ASN 15 HA ASN 15 3.294 -5.256 4.542 91 1HB ASN 15 2HB ASN 15 3.567 -6.871 2.423 92 2HB ASN 15 1HB ASN 15 3.619 -5.323 1.585 93 1HD2 ASN 15 1HD2 ASN 15 5.566 -7.584 2.573 94 2HD2 ASN 15 2HD2 ASN 15 6.931 -6.671 3.113 95 H VAL 16 H VAL 16 1.764 -3.478 5.055 96 HA VAL 16 HA VAL 16 0.867 -1.616 3.180 97 HB VAL 16 HB VAL 16 1.658 -1.032 6.034 98 1HG1 VAL 16 1HG1 VAL 16 -0.538 0.485 5.450 99 2HG1 VAL 16 2HG1 VAL 16 0.341 0.506 3.922 100 3HG1 VAL 16 3HG1 VAL 16 1.131 1.053 5.402 101 1HG2 VAL 16 1HG2 VAL 16 0.119 -2.592 6.525 102 2HG2 VAL 16 2HG2 VAL 16 -0.560 -2.578 4.897 103 3HG2 VAL 16 3HG2 VAL 16 -1.042 -1.347 6.066 104 H ALA 17 H ALA 17 3.890 -1.701 5.045 105 HA ALA 17 HA ALA 17 4.925 0.759 4.290 106 1HB ALA 17 1HB ALA 17 7.186 -0.689 4.448 107 2HB ALA 17 2HB ALA 17 6.068 -1.789 5.253 108 3HB ALA 17 3HB ALA 17 6.280 -0.147 5.861 109 H ALA 18 H ALA 18 5.123 -2.359 2.616 110 HA ALA 18 HA ALA 18 6.775 -1.482 0.496 111 1HB ALA 18 1HB ALA 18 6.056 -3.485 -0.670 112 2HB ALA 18 2HB ALA 18 4.711 -3.687 0.454 113 3HB ALA 18 3HB ALA 18 6.371 -3.861 1.024 114 H HIS 19 H HIS 19 3.385 -1.248 1.164 115 HA HIS 19 HA HIS 19 2.582 -0.469 -1.471 116 1HB HIS 19 2HB HIS 19 0.777 -1.359 -0.397 117 2HB HIS 19 1HB HIS 19 1.314 -0.820 1.184 118 HD2 HIS 19 2HD HIS 19 0.196 1.456 2.106 119 HE1 HIS 19 1HE HIS 19 -2.116 2.299 -1.316 120 HE2 HIS 19 2HE HIS 19 -1.569 3.014 1.048 121 H MET 20 H MET 20 2.756 1.304 1.637 122 HA MET 20 HA MET 20 2.252 3.820 0.526 123 1HB MET 20 2HB MET 20 2.241 3.124 2.981 124 2HB MET 20 1HB MET 20 3.975 3.408 2.949 125 1HG MET 20 2HG MET 20 3.035 5.704 1.850 126 2HG MET 20 1HG MET 20 1.749 5.308 2.988 127 1HE MET 20 1HE MET 20 2.741 7.920 4.436 128 2HE MET 20 2HE MET 20 2.824 6.990 5.932 129 3HE MET 20 3HE MET 20 1.623 6.584 4.707 130 H THR 21 H THR 21 5.173 1.950 0.652 131 HA THR 21 HA THR 21 7.123 3.883 0.348 132 HB THR 21 HB THR 21 7.251 1.261 0.391 133 HG1 THR 21 1HG THR 21 9.042 2.730 0.394 134 1HG2 THR 21 1HG2 THR 21 7.336 0.082 -1.525 135 2HG2 THR 21 2HG2 THR 21 7.904 1.454 -2.477 136 3HG2 THR 21 3HG2 THR 21 6.198 1.323 -2.049 137 H HIS 22 H HIS 22 4.636 2.870 -1.809 138 HA HIS 22 HA HIS 22 5.537 4.852 -3.778 139 1HB HIS 22 2HB HIS 22 4.663 3.309 -5.567 140 2HB HIS 22 1HB HIS 22 6.114 2.740 -4.745 141 HD1 HIS 22 1HD HIS 22 5.976 0.311 -4.315 142 HD2 HIS 22 2HD HIS 22 2.270 2.153 -3.998 143 HE1 HIS 22 1HE HIS 22 4.368 -1.514 -3.668 144 HE2 HIS 22 2HE HIS 22 2.166 -0.347 -3.357 145 H CYS 23 H CYS 23 3.074 3.840 -1.718 146 HA CYS 23 HA CYS 23 1.037 5.160 -3.383 147 1HB CYS 23 2HB CYS 23 0.888 2.885 -1.444 148 2HB CYS 23 1HB CYS 23 -0.485 3.974 -1.563 149 H ALA 24 H ALA 24 2.764 6.802 -2.076 150 HA ALA 24 HA ALA 24 1.466 7.623 0.412 151 1HB ALA 24 1HB ALA 24 3.995 7.413 0.150 152 2HB ALA 24 2HB ALA 24 3.379 8.894 0.886 153 3HB ALA 24 3HB ALA 24 3.901 8.897 -0.799 154 H LYS 25 H LYS 25 -0.079 7.976 -1.887 155 HA LYS 25 HA LYS 25 -0.461 10.851 -1.793 156 1HB LYS 25 2HB LYS 25 -0.502 11.130 -4.213 157 2HB LYS 25 1HB LYS 25 1.073 10.547 -3.692 158 1HG LYS 25 2HG LYS 25 -0.870 8.473 -4.461 159 2HG LYS 25 1HG LYS 25 -0.296 9.520 -5.760 160 1HD LYS 25 2HD LYS 25 1.786 8.512 -3.939 161 2HD LYS 25 1HD LYS 25 0.984 7.284 -4.922 162 1HE LYS 25 2HE LYS 25 1.887 9.788 -6.249 163 2HE LYS 25 1HE LYS 25 3.108 8.600 -5.793 164 1HZ LYS 25 1HZ LYS 25 1.800 8.538 -8.100 165 2HZ LYS 25 2HZ LYS 25 0.772 7.562 -7.176 166 3HZ LYS 25 3HZ LYS 25 2.404 7.149 -7.345 Start of MODEL 11 1 1H ALA 1 1HT ALA 1 -2.279 4.561 2.665 2 2H ALA 1 2HT ALA 1 -0.657 4.045 2.882 3 3H ALA 1 3HT ALA 1 -1.411 5.030 4.067 4 HA ALA 1 HA ALA 1 -1.176 2.545 4.462 5 1HB ALA 1 1HB ALA 1 -2.339 3.669 6.091 6 2HB ALA 1 2HB ALA 1 -3.606 2.629 5.441 7 3HB ALA 1 3HB ALA 1 -3.519 4.321 4.953 8 H VAL 2 H VAL 2 -1.640 0.619 3.760 9 HA VAL 2 HA VAL 2 -2.757 0.127 1.264 10 HB VAL 2 HB VAL 2 -1.207 -1.332 2.670 11 1HG1 VAL 2 1HG1 VAL 2 -2.641 -1.450 4.661 12 2HG1 VAL 2 2HG1 VAL 2 -2.235 -3.051 4.041 13 3HG1 VAL 2 3HG1 VAL 2 -3.832 -2.366 3.739 14 1HG2 VAL 2 1HG2 VAL 2 -1.816 -2.153 0.564 15 2HG2 VAL 2 2HG2 VAL 2 -3.494 -2.403 1.045 16 3HG2 VAL 2 3HG2 VAL 2 -2.230 -3.461 1.673 17 H SER 3 H SER 3 -4.294 0.569 4.318 18 HA SER 3 HA SER 3 -6.694 -0.856 3.773 19 1HB SER 3 2HB SER 3 -5.760 1.069 5.833 20 2HB SER 3 1HB SER 3 -7.504 0.944 5.601 21 HG SER 3 HG SER 3 -7.452 -1.142 6.211 22 H ALA 4 H ALA 4 -5.630 2.462 3.269 23 HA ALA 4 HA ALA 4 -8.205 3.081 1.995 24 1HB ALA 4 1HB ALA 4 -7.207 5.475 2.088 25 2HB ALA 4 2HB ALA 4 -6.097 4.777 3.267 26 3HB ALA 4 3HB ALA 4 -7.835 4.740 3.563 27 H CYS 5 H CYS 5 -5.722 1.607 0.910 28 HA CYS 5 HA CYS 5 -4.496 3.177 -1.058 29 1HB CYS 5 2HB CYS 5 -3.595 1.015 -0.419 30 2HB CYS 5 1HB CYS 5 -5.038 0.204 -1.009 31 H ALA 6 H ALA 6 -4.975 3.655 -3.148 32 HA ALA 6 HA ALA 6 -7.760 3.376 -3.928 33 1HB ALA 6 1HB ALA 6 -6.901 4.790 -5.919 34 2HB ALA 6 2HB ALA 6 -5.449 4.990 -4.938 35 3HB ALA 6 3HB ALA 6 -7.009 5.536 -4.325 36 H LEU 7 H LEU 7 -4.593 2.206 -4.876 37 HA LEU 7 HA LEU 7 -5.793 0.708 -7.093 38 1HB LEU 7 2HB LEU 7 -3.530 0.394 -7.893 39 2HB LEU 7 1HB LEU 7 -3.866 2.094 -7.658 40 HG LEU 7 HG LEU 7 -2.711 1.165 -5.254 41 1HD1 LEU 7 1HD1 LEU 7 -1.741 -0.735 -6.185 42 2HD1 LEU 7 2HD1 LEU 7 -0.461 0.476 -6.276 43 3HD1 LEU 7 3HD1 LEU 7 -1.398 0.074 -7.715 44 1HD2 LEU 7 1HD2 LEU 7 -0.782 2.627 -6.151 45 2HD2 LEU 7 2HD2 LEU 7 -2.351 3.377 -5.856 46 3HD2 LEU 7 3HD2 LEU 7 -1.870 2.956 -7.499 47 H SER 8 H SER 8 -6.691 -1.049 -6.090 48 HA SER 8 HA SER 8 -5.832 -2.490 -3.946 49 1HB SER 8 2HB SER 8 -7.915 -2.779 -5.529 50 2HB SER 8 1HB SER 8 -6.902 -4.002 -6.297 51 HG SER 8 HG SER 8 -8.249 -4.814 -4.584 52 H LYS 9 H LYS 9 -4.858 -4.677 -3.844 53 HA LYS 9 HA LYS 9 -3.097 -6.090 -4.115 54 1HB LYS 9 2HB LYS 9 -3.219 -5.166 -6.992 55 2HB LYS 9 1HB LYS 9 -2.331 -6.566 -6.405 56 1HG LYS 9 2HG LYS 9 -4.737 -7.213 -5.481 57 2HG LYS 9 1HG LYS 9 -5.235 -6.204 -6.841 58 1HD LYS 9 2HD LYS 9 -4.523 -7.698 -8.376 59 2HD LYS 9 1HD LYS 9 -3.106 -8.152 -7.426 60 1HE LYS 9 2HE LYS 9 -4.547 -10.055 -7.564 61 2HE LYS 9 1HE LYS 9 -4.615 -9.435 -5.915 62 1HZ LYS 9 1HZ LYS 9 -6.680 -9.469 -7.975 63 2HZ LYS 9 2HZ LYS 9 -6.642 -8.119 -6.959 64 3HZ LYS 9 3HZ LYS 9 -6.818 -9.666 -6.300 65 H CYS 10 H CYS 10 -1.651 -4.985 -2.815 66 HA CYS 10 HA CYS 10 0.456 -3.558 -4.271 67 1HB CYS 10 2HB CYS 10 -1.228 -2.497 -2.074 68 2HB CYS 10 1HB CYS 10 0.496 -2.151 -1.976 69 H ALA 11 H ALA 11 -0.115 -6.215 -2.686 70 HA ALA 11 HA ALA 11 2.488 -6.801 -1.971 71 1HB ALA 11 1HB ALA 11 0.878 -5.669 0.293 72 2HB ALA 11 2HB ALA 11 2.527 -5.283 -0.197 73 3HB ALA 11 3HB ALA 11 2.177 -6.828 0.579 74 H ALA 12 H ALA 12 -0.895 -7.276 -1.076 75 HA ALA 12 HA ALA 12 -2.157 -9.149 -0.806 76 1HB ALA 12 1HB ALA 12 -1.839 -10.853 -2.292 77 2HB ALA 12 2HB ALA 12 -0.092 -10.890 -2.047 78 3HB ALA 12 3HB ALA 12 -0.817 -9.620 -3.033 79 H ALA 13 H ALA 13 -0.114 -8.392 1.187 80 HA ALA 13 HA ALA 13 -0.280 -10.778 2.793 81 1HB ALA 13 1HB ALA 13 1.881 -10.830 1.295 82 2HB ALA 13 2HB ALA 13 1.931 -11.344 2.982 83 3HB ALA 13 3HB ALA 13 2.496 -9.734 2.533 84 H ALA 14 H ALA 14 -1.151 -7.942 2.820 85 HA ALA 14 HA ALA 14 -1.463 -6.280 4.339 86 1HB ALA 14 1HB ALA 14 -2.048 -7.696 6.042 87 2HB ALA 14 2HB ALA 14 -0.634 -6.915 6.751 88 3HB ALA 14 3HB ALA 14 -0.490 -8.522 6.039 89 H ASN 15 H ASN 15 0.985 -6.388 2.760 90 HA ASN 15 HA ASN 15 3.026 -5.271 4.509 91 1HB ASN 15 2HB ASN 15 3.223 -6.810 2.284 92 2HB ASN 15 1HB ASN 15 3.436 -5.211 1.581 93 1HD2 ASN 15 1HD2 ASN 15 4.443 -6.674 4.651 94 2HD2 ASN 15 2HD2 ASN 15 6.125 -6.320 4.464 95 H VAL 16 H VAL 16 1.752 -3.420 5.127 96 HA VAL 16 HA VAL 16 0.802 -1.502 3.305 97 HB VAL 16 HB VAL 16 1.718 -0.990 6.134 98 1HG1 VAL 16 1HG1 VAL 16 -0.451 0.594 5.682 99 2HG1 VAL 16 2HG1 VAL 16 0.326 0.596 4.099 100 3HG1 VAL 16 3HG1 VAL 16 1.227 1.115 5.523 101 1HG2 VAL 16 1HG2 VAL 16 0.174 -2.557 6.632 102 2HG2 VAL 16 2HG2 VAL 16 -0.619 -2.427 5.062 103 3HG2 VAL 16 3HG2 VAL 16 -0.961 -1.243 6.323 104 H ALA 17 H ALA 17 3.893 -1.766 5.027 105 HA ALA 17 HA ALA 17 4.979 0.683 4.275 106 1HB ALA 17 1HB ALA 17 6.376 -1.948 4.762 107 2HB ALA 17 2HB ALA 17 6.047 -0.687 5.950 108 3HB ALA 17 3HB ALA 17 7.188 -0.387 4.640 109 H ALA 18 H ALA 18 4.998 -2.426 2.580 110 HA ALA 18 HA ALA 18 6.619 -1.596 0.414 111 1HB ALA 18 1HB ALA 18 5.350 -3.530 -0.770 112 2HB ALA 18 2HB ALA 18 4.671 -3.834 0.829 113 3HB ALA 18 3HB ALA 18 6.417 -3.902 0.584 114 H HIS 19 H HIS 19 3.280 -1.205 1.216 115 HA HIS 19 HA HIS 19 2.398 -0.423 -1.394 116 1HB HIS 19 2HB HIS 19 0.602 -1.213 -0.233 117 2HB HIS 19 1HB HIS 19 1.229 -0.677 1.317 118 HD2 HIS 19 2HD HIS 19 0.278 1.685 2.234 119 HE1 HIS 19 1HE HIS 19 -2.144 2.563 -1.105 120 HE2 HIS 19 2HE HIS 19 -1.449 3.309 1.211 121 H MET 20 H MET 20 2.772 1.382 1.680 122 HA MET 20 HA MET 20 2.341 3.903 0.550 123 1HB MET 20 2HB MET 20 2.380 3.257 3.008 124 2HB MET 20 1HB MET 20 4.126 3.427 2.917 125 1HG MET 20 2HG MET 20 3.309 5.766 1.819 126 2HG MET 20 1HG MET 20 2.030 5.469 2.994 127 1HE MET 20 1HE MET 20 2.715 6.390 5.889 128 2HE MET 20 2HE MET 20 3.752 5.009 6.247 129 3HE MET 20 3HE MET 20 2.334 4.805 5.216 130 H THR 21 H THR 21 5.187 1.912 0.617 131 HA THR 21 HA THR 21 7.203 3.754 0.204 132 HB THR 21 HB THR 21 7.217 1.129 0.304 133 HG1 THR 21 1HG THR 21 9.305 1.220 -0.304 134 1HG2 THR 21 1HG2 THR 21 7.259 -0.088 -1.607 135 2HG2 THR 21 2HG2 THR 21 7.749 1.281 -2.604 136 3HG2 THR 21 3HG2 THR 21 6.075 1.134 -2.067 137 H HIS 22 H HIS 22 4.601 2.816 -1.844 138 HA HIS 22 HA HIS 22 5.524 4.708 -3.888 139 1HB HIS 22 2HB HIS 22 4.569 3.171 -5.622 140 2HB HIS 22 1HB HIS 22 5.990 2.533 -4.796 141 HD1 HIS 22 1HD HIS 22 5.693 0.114 -4.383 142 HD2 HIS 22 2HD HIS 22 2.135 2.205 -3.950 143 HE1 HIS 22 1HE HIS 22 3.989 -1.594 -3.669 144 HE2 HIS 22 2HE HIS 22 1.889 -0.274 -3.272 145 H CYS 23 H CYS 23 3.083 3.861 -1.730 146 HA CYS 23 HA CYS 23 1.048 5.189 -3.395 147 1HB CYS 23 2HB CYS 23 0.875 2.998 -1.371 148 2HB CYS 23 1HB CYS 23 -0.451 4.146 -1.457 149 H ALA 24 H ALA 24 0.764 7.246 -2.890 150 HA ALA 24 HA ALA 24 0.252 8.068 -0.196 151 1HB ALA 24 1HB ALA 24 2.553 8.189 0.139 152 2HB ALA 24 2HB ALA 24 2.113 9.842 -0.292 153 3HB ALA 24 3HB ALA 24 2.857 8.786 -1.493 154 H LYS 25 H LYS 25 -1.155 8.130 -2.672 155 HA LYS 25 HA LYS 25 -1.799 10.956 -2.745 156 1HB LYS 25 2HB LYS 25 -1.649 11.136 -5.175 157 2HB LYS 25 1HB LYS 25 -0.079 10.751 -4.483 158 1HG LYS 25 2HG LYS 25 -1.783 8.503 -5.405 159 2HG LYS 25 1HG LYS 25 -1.002 9.516 -6.621 160 1HD LYS 25 2HD LYS 25 0.722 8.653 -4.394 161 2HD LYS 25 1HD LYS 25 0.159 7.364 -5.461 162 1HE LYS 25 2HE LYS 25 0.925 8.865 -7.383 163 2HE LYS 25 1HE LYS 25 1.780 9.797 -6.154 164 1HZ LYS 25 1HZ LYS 25 3.257 8.189 -7.110 165 2HZ LYS 25 2HZ LYS 25 2.180 6.925 -6.791 166 3HZ LYS 25 3HZ LYS 25 2.934 7.735 -5.511 Start of MODEL 12 1 1H ALA 1 1HT ALA 1 -2.292 4.569 2.676 2 2H ALA 1 2HT ALA 1 -0.669 4.051 2.885 3 3H ALA 1 3HT ALA 1 -1.417 5.037 4.074 4 HA ALA 1 HA ALA 1 -1.182 2.553 4.471 5 1HB ALA 1 1HB ALA 1 -2.358 3.565 6.127 6 2HB ALA 1 2HB ALA 1 -3.689 2.684 5.375 7 3HB ALA 1 3HB ALA 1 -3.441 4.392 5.007 8 H VAL 2 H VAL 2 -1.646 0.626 3.773 9 HA VAL 2 HA VAL 2 -2.763 0.129 1.276 10 HB VAL 2 HB VAL 2 -1.210 -1.325 2.684 11 1HG1 VAL 2 1HG1 VAL 2 -2.906 -1.369 4.607 12 2HG1 VAL 2 2HG1 VAL 2 -2.071 -2.870 4.207 13 3HG1 VAL 2 3HG1 VAL 2 -3.732 -2.614 3.672 14 1HG2 VAL 2 1HG2 VAL 2 -1.816 -2.152 0.580 15 2HG2 VAL 2 2HG2 VAL 2 -3.496 -2.399 1.059 16 3HG2 VAL 2 3HG2 VAL 2 -2.233 -3.457 1.691 17 H SER 3 H SER 3 -4.300 0.582 4.328 18 HA SER 3 HA SER 3 -6.697 -0.852 3.788 19 1HB SER 3 2HB SER 3 -5.772 1.088 5.841 20 2HB SER 3 1HB SER 3 -7.514 0.940 5.614 21 HG SER 3 HG SER 3 -5.678 -1.125 6.254 22 H ALA 4 H ALA 4 -5.637 2.464 3.272 23 HA ALA 4 HA ALA 4 -8.214 3.076 1.997 24 1HB ALA 4 1HB ALA 4 -7.951 5.272 2.559 25 2HB ALA 4 2HB ALA 4 -6.191 5.195 2.487 26 3HB ALA 4 3HB ALA 4 -7.047 4.523 3.874 27 H CYS 5 H CYS 5 -5.730 1.606 0.915 28 HA CYS 5 HA CYS 5 -4.502 3.175 -1.052 29 1HB CYS 5 2HB CYS 5 -3.603 1.013 -0.415 30 2HB CYS 5 1HB CYS 5 -5.048 0.203 -1.005 31 H ALA 6 H ALA 6 -4.975 3.648 -3.146 32 HA ALA 6 HA ALA 6 -7.760 3.369 -3.929 33 1HB ALA 6 1HB ALA 6 -6.829 4.770 -5.936 34 2HB ALA 6 2HB ALA 6 -5.461 5.030 -4.853 35 3HB ALA 6 3HB ALA 6 -7.081 5.523 -4.361 36 H LEU 7 H LEU 7 -4.588 2.213 -4.872 37 HA LEU 7 HA LEU 7 -5.773 0.722 -7.099 38 1HB LEU 7 2HB LEU 7 -3.504 0.415 -7.888 39 2HB LEU 7 1HB LEU 7 -3.847 2.113 -7.650 40 HG LEU 7 HG LEU 7 -2.702 1.177 -5.242 41 1HD1 LEU 7 1HD1 LEU 7 -1.731 -0.718 -6.196 42 2HD1 LEU 7 2HD1 LEU 7 -0.449 0.492 -6.235 43 3HD1 LEU 7 3HD1 LEU 7 -1.355 0.120 -7.702 44 1HD2 LEU 7 1HD2 LEU 7 -2.347 3.394 -5.829 45 2HD2 LEU 7 2HD2 LEU 7 -1.858 2.984 -7.473 46 3HD2 LEU 7 3HD2 LEU 7 -0.774 2.652 -6.122 47 H SER 8 H SER 8 -6.674 -1.038 -6.103 48 HA SER 8 HA SER 8 -5.820 -2.487 -3.962 49 1HB SER 8 2HB SER 8 -6.951 -3.846 -6.402 50 2HB SER 8 1HB SER 8 -7.197 -4.262 -4.707 51 HG SER 8 HG SER 8 -8.766 -2.812 -6.149 52 H LYS 9 H LYS 9 -4.842 -4.671 -3.863 53 HA LYS 9 HA LYS 9 -3.080 -6.082 -4.136 54 1HB LYS 9 2HB LYS 9 -4.216 -5.967 -6.571 55 2HB LYS 9 1HB LYS 9 -2.629 -5.321 -6.966 56 1HG LYS 9 2HG LYS 9 -2.124 -7.485 -7.277 57 2HG LYS 9 1HG LYS 9 -1.909 -7.475 -5.525 58 1HD LYS 9 2HD LYS 9 -4.514 -8.152 -6.880 59 2HD LYS 9 1HD LYS 9 -3.311 -9.359 -6.424 60 1HE LYS 9 2HE LYS 9 -4.516 -9.437 -4.518 61 2HE LYS 9 1HE LYS 9 -3.538 -8.032 -4.098 62 1HZ LYS 9 1HZ LYS 9 -6.300 -8.042 -5.175 63 2HZ LYS 9 2HZ LYS 9 -5.356 -6.644 -5.052 64 3HZ LYS 9 3HZ LYS 9 -5.787 -7.496 -3.657 65 H CYS 10 H CYS 10 -1.640 -4.981 -2.826 66 HA CYS 10 HA CYS 10 0.472 -3.552 -4.269 67 1HB CYS 10 2HB CYS 10 -1.213 -2.498 -2.067 68 2HB CYS 10 1HB CYS 10 0.509 -2.138 -1.985 69 H ALA 11 H ALA 11 -0.103 -6.211 -2.694 70 HA ALA 11 HA ALA 11 2.494 -6.799 -1.966 71 1HB ALA 11 1HB ALA 11 0.882 -5.650 0.286 72 2HB ALA 11 2HB ALA 11 2.541 -5.289 -0.191 73 3HB ALA 11 3HB ALA 11 2.162 -6.826 0.586 74 H ALA 12 H ALA 12 -0.890 -7.266 -1.067 75 HA ALA 12 HA ALA 12 -2.157 -9.137 -0.798 76 1HB ALA 12 1HB ALA 12 -0.766 -9.612 -3.020 77 2HB ALA 12 2HB ALA 12 -1.866 -10.799 -2.319 78 3HB ALA 12 3HB ALA 12 -0.132 -10.920 -2.022 79 H ALA 13 H ALA 13 -0.110 -8.387 1.192 80 HA ALA 13 HA ALA 13 -0.278 -10.774 2.796 81 1HB ALA 13 1HB ALA 13 2.501 -9.757 2.600 82 2HB ALA 13 2HB ALA 13 1.903 -10.763 1.281 83 3HB ALA 13 3HB ALA 13 1.909 -11.384 2.931 84 H ALA 14 H ALA 14 -1.146 -7.938 2.828 85 HA ALA 14 HA ALA 14 -1.454 -6.278 4.350 86 1HB ALA 14 1HB ALA 14 -0.202 -8.280 6.226 87 2HB ALA 14 2HB ALA 14 -1.924 -8.062 5.909 88 3HB ALA 14 3HB ALA 14 -1.010 -6.793 6.724 89 H ASN 15 H ASN 15 0.991 -6.385 2.766 90 HA ASN 15 HA ASN 15 3.036 -5.272 4.512 91 1HB ASN 15 2HB ASN 15 3.221 -6.807 2.279 92 2HB ASN 15 1HB ASN 15 3.450 -5.205 1.587 93 1HD2 ASN 15 1HD2 ASN 15 4.735 -4.002 3.774 94 2HD2 ASN 15 2HD2 ASN 15 6.304 -4.706 3.931 95 H VAL 16 H VAL 16 1.746 -3.424 5.129 96 HA VAL 16 HA VAL 16 0.800 -1.504 3.311 97 HB VAL 16 HB VAL 16 1.720 -1.000 6.143 98 1HG1 VAL 16 1HG1 VAL 16 1.266 1.111 5.511 99 2HG1 VAL 16 2HG1 VAL 16 -0.415 0.617 5.715 100 3HG1 VAL 16 3HG1 VAL 16 0.321 0.599 4.113 101 1HG2 VAL 16 1HG2 VAL 16 -0.150 -1.944 6.962 102 2HG2 VAL 16 2HG2 VAL 16 -0.145 -2.840 5.444 103 3HG2 VAL 16 3HG2 VAL 16 -1.143 -1.397 5.612 104 H ALA 17 H ALA 17 3.895 -1.764 5.028 105 HA ALA 17 HA ALA 17 4.980 0.683 4.267 106 1HB ALA 17 1HB ALA 17 6.704 -1.756 4.442 107 2HB ALA 17 2HB ALA 17 5.888 -1.143 5.881 108 3HB ALA 17 3HB ALA 17 7.025 -0.116 5.006 109 H ALA 18 H ALA 18 4.993 -2.429 2.579 110 HA ALA 18 HA ALA 18 6.609 -1.606 0.408 111 1HB ALA 18 1HB ALA 18 5.091 -3.538 -0.704 112 2HB ALA 18 2HB ALA 18 4.837 -3.891 1.005 113 3HB ALA 18 3HB ALA 18 6.472 -3.865 0.343 114 H HIS 19 H HIS 19 3.270 -1.215 1.214 115 HA HIS 19 HA HIS 19 2.384 -0.435 -1.395 116 1HB HIS 19 2HB HIS 19 0.590 -1.221 -0.228 117 2HB HIS 19 1HB HIS 19 1.222 -0.683 1.319 118 HD2 HIS 19 2HD HIS 19 0.267 1.674 2.238 119 HE1 HIS 19 1HE HIS 19 -2.153 2.559 -1.101 120 HE2 HIS 19 2HE HIS 19 -1.459 3.302 1.218 121 H MET 20 H MET 20 2.768 1.376 1.675 122 HA MET 20 HA MET 20 2.339 3.897 0.538 123 1HB MET 20 2HB MET 20 2.381 3.253 3.000 124 2HB MET 20 1HB MET 20 4.128 3.424 2.905 125 1HG MET 20 2HG MET 20 4.042 5.682 2.743 126 2HG MET 20 1HG MET 20 2.494 5.672 1.898 127 1HE MET 20 1HE MET 20 2.815 7.937 4.380 128 2HE MET 20 2HE MET 20 1.089 7.700 4.658 129 3HE MET 20 3HE MET 20 1.738 7.613 3.021 130 H THR 21 H THR 21 5.176 1.896 0.598 131 HA THR 21 HA THR 21 7.201 3.729 0.181 132 HB THR 21 HB THR 21 7.207 1.106 0.278 133 HG1 THR 21 1HG THR 21 9.277 1.275 -0.144 134 1HG2 THR 21 1HG2 THR 21 7.782 1.184 -2.605 135 2HG2 THR 21 2HG2 THR 21 6.080 1.195 -2.144 136 3HG2 THR 21 3HG2 THR 21 7.131 -0.115 -1.604 137 H HIS 22 H HIS 22 4.590 2.801 -1.861 138 HA HIS 22 HA HIS 22 5.509 4.699 -3.902 139 1HB HIS 22 2HB HIS 22 4.528 3.167 -5.633 140 2HB HIS 22 1HB HIS 22 5.960 2.529 -4.827 141 HD1 HIS 22 1HD HIS 22 5.679 0.114 -4.391 142 HD2 HIS 22 2HD HIS 22 2.111 2.190 -3.959 143 HE1 HIS 22 1HE HIS 22 3.985 -1.600 -3.667 144 HE2 HIS 22 2HE HIS 22 1.878 -0.289 -3.272 145 H CYS 23 H CYS 23 3.075 3.838 -1.740 146 HA CYS 23 HA CYS 23 1.038 5.197 -3.374 147 1HB CYS 23 2HB CYS 23 0.865 2.987 -1.367 148 2HB CYS 23 1HB CYS 23 -0.458 4.138 -1.447 149 H ALA 24 H ALA 24 2.961 6.723 -2.088 150 HA ALA 24 HA ALA 24 1.711 7.728 0.356 151 1HB ALA 24 1HB ALA 24 4.388 8.120 -0.924 152 2HB ALA 24 2HB ALA 24 3.998 7.535 0.693 153 3HB ALA 24 3HB ALA 24 3.806 9.244 0.304 154 H LYS 25 H LYS 25 0.177 8.157 -1.901 155 HA LYS 25 HA LYS 25 0.099 11.059 -1.940 156 1HB LYS 25 2HB LYS 25 -0.006 11.219 -4.368 157 2HB LYS 25 1HB LYS 25 1.517 10.494 -3.870 158 1HG LYS 25 2HG LYS 25 0.110 8.264 -4.237 159 2HG LYS 25 1HG LYS 25 -0.751 9.319 -5.359 160 1HD LYS 25 2HD LYS 25 2.220 9.329 -5.432 161 2HD LYS 25 1HD LYS 25 1.380 7.929 -6.100 162 1HE LYS 25 2HE LYS 25 -0.057 9.882 -7.234 163 2HE LYS 25 1HE LYS 25 1.480 10.727 -7.058 164 1HZ LYS 25 1HZ LYS 25 1.889 9.751 -9.028 165 2HZ LYS 25 2HZ LYS 25 0.777 8.499 -8.784 166 3HZ LYS 25 3HZ LYS 25 2.309 8.419 -8.073 Start of MODEL 13 1 1H ALA 1 1HT ALA 1 -1.430 4.694 4.208 2 2H ALA 1 2HT ALA 1 -2.359 4.273 2.828 3 3H ALA 1 3HT ALA 1 -0.707 3.820 2.924 4 HA ALA 1 HA ALA 1 -1.071 2.217 4.456 5 1HB ALA 1 1HB ALA 1 -2.242 3.195 6.175 6 2HB ALA 1 2HB ALA 1 -3.461 2.104 5.517 7 3HB ALA 1 3HB ALA 1 -3.501 3.819 5.110 8 H VAL 2 H VAL 2 -1.414 0.325 3.628 9 HA VAL 2 HA VAL 2 -2.552 -0.126 1.154 10 HB VAL 2 HB VAL 2 -0.940 -1.572 2.472 11 1HG1 VAL 2 1HG1 VAL 2 -3.333 -3.060 3.463 12 2HG1 VAL 2 2HG1 VAL 2 -2.679 -1.720 4.406 13 3HG1 VAL 2 3HG1 VAL 2 -1.663 -3.111 4.029 14 1HG2 VAL 2 1HG2 VAL 2 -1.980 -3.724 1.466 15 2HG2 VAL 2 2HG2 VAL 2 -1.518 -2.407 0.386 16 3HG2 VAL 2 3HG2 VAL 2 -3.210 -2.631 0.833 17 H SER 3 H SER 3 -4.080 0.058 4.255 18 HA SER 3 HA SER 3 -6.451 -1.376 3.566 19 1HB SER 3 2HB SER 3 -5.406 -0.570 5.923 20 2HB SER 3 1HB SER 3 -6.594 0.709 5.670 21 HG SER 3 HG SER 3 -7.098 -1.584 6.680 22 H ALA 4 H ALA 4 -5.360 1.924 3.271 23 HA ALA 4 HA ALA 4 -7.995 2.710 2.225 24 1HB ALA 4 1HB ALA 4 -5.850 4.687 2.862 25 2HB ALA 4 2HB ALA 4 -6.798 3.968 4.164 26 3HB ALA 4 3HB ALA 4 -7.603 4.882 2.889 27 H CYS 5 H CYS 5 -5.523 1.326 0.924 28 HA CYS 5 HA CYS 5 -4.364 3.015 -0.958 29 1HB CYS 5 2HB CYS 5 -3.577 0.733 -0.551 30 2HB CYS 5 1HB CYS 5 -5.060 0.084 -1.238 31 H ALA 6 H ALA 6 -4.887 3.653 -3.019 32 HA ALA 6 HA ALA 6 -7.733 3.519 -3.669 33 1HB ALA 6 1HB ALA 6 -5.767 5.202 -5.161 34 2HB ALA 6 2HB ALA 6 -6.310 5.685 -3.554 35 3HB ALA 6 3HB ALA 6 -7.481 5.483 -4.858 36 H LEU 7 H LEU 7 -4.635 2.430 -4.835 37 HA LEU 7 HA LEU 7 -5.759 1.651 -7.401 38 1HB LEU 7 2HB LEU 7 -3.614 1.381 -8.162 39 2HB LEU 7 1HB LEU 7 -3.404 2.648 -6.976 40 HG LEU 7 HG LEU 7 -2.923 0.461 -5.448 41 1HD1 LEU 7 1HD1 LEU 7 -2.999 -0.623 -7.975 42 2HD1 LEU 7 2HD1 LEU 7 -2.209 -1.331 -6.566 43 3HD1 LEU 7 3HD1 LEU 7 -1.278 -0.356 -7.703 44 1HD2 LEU 7 1HD2 LEU 7 -1.582 2.575 -5.797 45 2HD2 LEU 7 2HD2 LEU 7 -0.799 1.746 -7.143 46 3HD2 LEU 7 3HD2 LEU 7 -0.650 1.107 -5.507 47 H SER 8 H SER 8 -5.004 -0.617 -8.173 48 HA SER 8 HA SER 8 -6.448 -2.541 -6.850 49 1HB SER 8 2HB SER 8 -4.354 -2.586 -8.952 50 2HB SER 8 1HB SER 8 -4.718 -4.118 -8.158 51 HG SER 8 HG SER 8 -6.072 -2.962 -10.085 52 H LYS 9 H LYS 9 -5.191 -4.792 -6.335 53 HA LYS 9 HA LYS 9 -4.271 -4.630 -3.761 54 1HB LYS 9 2HB LYS 9 -3.940 -6.665 -5.920 55 2HB LYS 9 1HB LYS 9 -3.028 -6.865 -4.432 56 1HG LYS 9 2HG LYS 9 -5.094 -6.844 -3.145 57 2HG LYS 9 1HG LYS 9 -6.022 -6.605 -4.627 58 1HD LYS 9 2HD LYS 9 -5.674 -8.758 -5.351 59 2HD LYS 9 1HD LYS 9 -4.163 -8.928 -4.456 60 1HE LYS 9 2HE LYS 9 -5.461 -10.210 -3.116 61 2HE LYS 9 1HE LYS 9 -5.849 -8.646 -2.401 62 1HZ LYS 9 1HZ LYS 9 -7.486 -10.371 -4.103 63 2HZ LYS 9 2HZ LYS 9 -7.692 -8.700 -4.254 64 3HZ LYS 9 3HZ LYS 9 -7.930 -9.448 -2.756 65 H CYS 10 H CYS 10 -2.353 -4.342 -2.738 66 HA CYS 10 HA CYS 10 -0.034 -3.685 -4.432 67 1HB CYS 10 2HB CYS 10 -1.205 -2.323 -2.062 68 2HB CYS 10 1HB CYS 10 0.551 -2.336 -2.195 69 H ALA 11 H ALA 11 -1.104 -5.090 -1.372 70 HA ALA 11 HA ALA 11 1.341 -6.711 -1.347 71 1HB ALA 11 1HB ALA 11 0.229 -5.382 1.119 72 2HB ALA 11 2HB ALA 11 1.623 -4.798 0.211 73 3HB ALA 11 3HB ALA 11 1.684 -6.371 1.006 74 H ALA 12 H ALA 12 0.961 -8.808 -1.019 75 HA ALA 12 HA ALA 12 -1.759 -9.618 -0.296 76 1HB ALA 12 1HB ALA 12 0.474 -10.937 -1.782 77 2HB ALA 12 2HB ALA 12 -1.204 -10.692 -2.265 78 3HB ALA 12 3HB ALA 12 -0.804 -11.914 -1.058 79 H ALA 13 H ALA 13 0.198 -8.682 1.686 80 HA ALA 13 HA ALA 13 -0.138 -10.820 3.581 81 1HB ALA 13 1HB ALA 13 1.912 -11.565 2.524 82 2HB ALA 13 2HB ALA 13 2.244 -11.012 4.165 83 3HB ALA 13 3HB ALA 13 2.650 -9.986 2.788 84 H ALA 14 H ALA 14 -0.901 -7.998 3.206 85 HA ALA 14 HA ALA 14 -1.233 -6.156 4.498 86 1HB ALA 14 1HB ALA 14 0.177 -7.338 6.833 87 2HB ALA 14 2HB ALA 14 -1.297 -8.121 6.263 88 3HB ALA 14 3HB ALA 14 -1.334 -6.430 6.763 89 H ASN 15 H ASN 15 1.207 -6.488 2.939 90 HA ASN 15 HA ASN 15 3.319 -5.246 4.471 91 1HB ASN 15 2HB ASN 15 3.332 -6.853 2.275 92 2HB ASN 15 1HB ASN 15 3.534 -5.273 1.525 93 1HD2 ASN 15 1HD2 ASN 15 4.979 -4.028 3.584 94 2HD2 ASN 15 2HD2 ASN 15 6.545 -4.753 3.658 95 H VAL 16 H VAL 16 1.860 -3.429 5.066 96 HA VAL 16 HA VAL 16 0.920 -1.544 3.229 97 HB VAL 16 HB VAL 16 1.845 -0.995 6.050 98 1HG1 VAL 16 1HG1 VAL 16 -0.328 0.596 5.542 99 2HG1 VAL 16 2HG1 VAL 16 0.524 0.608 3.998 100 3HG1 VAL 16 3HG1 VAL 16 1.357 1.111 5.469 101 1HG2 VAL 16 1HG2 VAL 16 -0.022 -2.840 5.367 102 2HG2 VAL 16 2HG2 VAL 16 -1.018 -1.394 5.526 103 3HG2 VAL 16 3HG2 VAL 16 -0.025 -1.933 6.879 104 H ALA 17 H ALA 17 4.016 -1.705 4.960 105 HA ALA 17 HA ALA 17 5.078 0.729 4.169 106 1HB ALA 17 1HB ALA 17 6.360 -1.904 4.817 107 2HB ALA 17 2HB ALA 17 6.300 -0.432 5.786 108 3HB ALA 17 3HB ALA 17 7.326 -0.503 4.354 109 H ALA 18 H ALA 18 5.124 -2.380 2.473 110 HA ALA 18 HA ALA 18 6.702 -1.531 0.286 111 1HB ALA 18 1HB ALA 18 6.313 -3.593 -0.602 112 2HB ALA 18 2HB ALA 18 4.603 -3.578 -0.169 113 3HB ALA 18 3HB ALA 18 5.821 -3.926 1.058 114 H HIS 19 H HIS 19 3.350 -1.223 1.103 115 HA HIS 19 HA HIS 19 2.450 -0.409 -1.490 116 1HB HIS 19 2HB HIS 19 0.675 -1.267 -0.342 117 2HB HIS 19 1HB HIS 19 1.294 -0.749 1.217 118 HD2 HIS 19 2HD HIS 19 0.262 1.540 2.201 119 HE1 HIS 19 1HE HIS 19 -2.181 2.454 -1.111 120 HE2 HIS 19 2HE HIS 19 -1.516 3.142 1.231 121 H MET 20 H MET 20 2.803 1.338 1.618 122 HA MET 20 HA MET 20 2.305 3.873 0.543 123 1HB MET 20 2HB MET 20 2.393 3.147 2.995 124 2HB MET 20 1HB MET 20 4.125 3.427 2.887 125 1HG MET 20 2HG MET 20 3.897 5.680 2.763 126 2HG MET 20 1HG MET 20 2.333 5.587 1.956 127 1HE MET 20 1HE MET 20 0.924 6.862 2.784 128 2HE MET 20 2HE MET 20 1.335 7.738 4.259 129 3HE MET 20 3HE MET 20 0.000 6.586 4.261 130 H THR 21 H THR 21 5.186 1.939 0.527 131 HA THR 21 HA THR 21 7.166 3.831 0.158 132 HB THR 21 HB THR 21 7.238 1.208 0.171 133 HG1 THR 21 1HG THR 21 9.304 1.419 -0.310 134 1HG2 THR 21 1HG2 THR 21 7.220 0.046 -1.762 135 2HG2 THR 21 2HG2 THR 21 7.743 1.425 -2.729 136 3HG2 THR 21 3HG2 THR 21 6.064 1.302 -2.205 137 H HIS 22 H HIS 22 4.566 2.898 -1.898 138 HA HIS 22 HA HIS 22 5.422 4.883 -3.884 139 1HB HIS 22 2HB HIS 22 4.430 3.376 -5.646 140 2HB HIS 22 1HB HIS 22 5.907 2.772 -4.901 141 HD1 HIS 22 1HD HIS 22 5.750 0.347 -4.462 142 HD2 HIS 22 2HD HIS 22 2.086 2.241 -4.003 143 HE1 HIS 22 1HE HIS 22 4.140 -1.457 -3.762 144 HE2 HIS 22 2HE HIS 22 1.969 -0.257 -3.366 145 H CYS 23 H CYS 23 3.029 3.890 -1.730 146 HA CYS 23 HA CYS 23 0.947 5.272 -3.285 147 1HB CYS 23 2HB CYS 23 0.840 2.986 -1.355 148 2HB CYS 23 1HB CYS 23 -0.516 4.099 -1.414 149 H ALA 24 H ALA 24 2.788 6.847 -2.020 150 HA ALA 24 HA ALA 24 1.591 7.683 0.514 151 1HB ALA 24 1HB ALA 24 4.204 8.238 -0.832 152 2HB ALA 24 2HB ALA 24 3.890 7.590 0.779 153 3HB ALA 24 3HB ALA 24 3.614 9.300 0.446 154 H LYS 25 H LYS 25 0.025 8.119 -1.772 155 HA LYS 25 HA LYS 25 -0.261 11.003 -1.620 156 1HB LYS 25 2HB LYS 25 -0.327 11.327 -4.032 157 2HB LYS 25 1HB LYS 25 1.234 10.678 -3.548 158 1HG LYS 25 2HG LYS 25 -0.798 8.691 -4.323 159 2HG LYS 25 1HG LYS 25 -0.203 9.740 -5.611 160 1HD LYS 25 2HD LYS 25 1.860 8.612 -3.836 161 2HD LYS 25 1HD LYS 25 1.003 7.444 -4.846 162 1HE LYS 25 2HE LYS 25 1.499 9.383 -6.656 163 2HE LYS 25 1HE LYS 25 2.891 9.581 -5.594 164 1HZ LYS 25 1HZ LYS 25 2.110 7.222 -7.185 165 2HZ LYS 25 2HZ LYS 25 3.134 7.062 -5.848 166 3HZ LYS 25 3HZ LYS 25 3.594 8.036 -7.152 Start of MODEL 14 1 1H ALA 1 1HT ALA 1 -2.298 4.574 2.668 2 2H ALA 1 2HT ALA 1 -0.674 4.062 2.878 3 3H ALA 1 3HT ALA 1 -1.426 5.046 4.066 4 HA ALA 1 HA ALA 1 -1.182 2.563 4.464 5 1HB ALA 1 1HB ALA 1 -2.362 3.570 6.120 6 2HB ALA 1 2HB ALA 1 -3.689 2.687 5.368 7 3HB ALA 1 3HB ALA 1 -3.447 4.395 5.001 8 H VAL 2 H VAL 2 -1.635 0.634 3.763 9 HA VAL 2 HA VAL 2 -2.747 0.130 1.269 10 HB VAL 2 HB VAL 2 -1.197 -1.319 2.685 11 1HG1 VAL 2 1HG1 VAL 2 -3.088 -1.352 4.532 12 2HG1 VAL 2 2HG1 VAL 2 -1.985 -2.709 4.312 13 3HG1 VAL 2 3HG1 VAL 2 -3.609 -2.774 3.629 14 1HG2 VAL 2 1HG2 VAL 2 -2.210 -3.453 1.690 15 2HG2 VAL 2 2HG2 VAL 2 -1.793 -2.148 0.579 16 3HG2 VAL 2 3HG2 VAL 2 -3.473 -2.400 1.052 17 H SER 3 H SER 3 -4.293 0.578 4.319 18 HA SER 3 HA SER 3 -6.688 -0.855 3.766 19 1HB SER 3 2HB SER 3 -6.556 1.502 5.628 20 2HB SER 3 1HB SER 3 -7.511 0.027 5.776 21 HG SER 3 HG SER 3 -5.495 -1.089 6.091 22 H ALA 4 H ALA 4 -5.620 2.458 3.254 23 HA ALA 4 HA ALA 4 -8.197 3.082 1.987 24 1HB ALA 4 1HB ALA 4 -6.159 4.708 3.394 25 2HB ALA 4 2HB ALA 4 -7.919 4.812 3.432 26 3HB ALA 4 3HB ALA 4 -7.026 5.470 2.061 27 H CYS 5 H CYS 5 -5.713 1.605 0.903 28 HA CYS 5 HA CYS 5 -4.486 3.172 -1.067 29 1HB CYS 5 2HB CYS 5 -3.594 1.004 -0.427 30 2HB CYS 5 1HB CYS 5 -5.039 0.201 -1.024 31 H ALA 6 H ALA 6 -4.966 3.654 -3.155 32 HA ALA 6 HA ALA 6 -7.751 3.386 -3.933 33 1HB ALA 6 1HB ALA 6 -5.699 4.715 -5.646 34 2HB ALA 6 2HB ALA 6 -6.216 5.491 -4.149 35 3HB ALA 6 3HB ALA 6 -7.398 5.122 -5.405 36 H LEU 7 H LEU 7 -4.592 2.199 -4.885 37 HA LEU 7 HA LEU 7 -5.802 0.708 -7.099 38 1HB LEU 7 2HB LEU 7 -3.543 0.385 -7.906 39 2HB LEU 7 1HB LEU 7 -3.870 2.086 -7.667 40 HG LEU 7 HG LEU 7 -2.715 1.151 -5.267 41 1HD1 LEU 7 1HD1 LEU 7 -1.262 0.183 -7.720 42 2HD1 LEU 7 2HD1 LEU 7 -1.858 -0.790 -6.374 43 3HD1 LEU 7 3HD1 LEU 7 -0.527 0.340 -6.125 44 1HD2 LEU 7 1HD2 LEU 7 -0.778 2.598 -6.165 45 2HD2 LEU 7 2HD2 LEU 7 -2.342 3.360 -5.877 46 3HD2 LEU 7 3HD2 LEU 7 -1.860 2.930 -7.518 47 H SER 8 H SER 8 -6.702 -1.051 -6.107 48 HA SER 8 HA SER 8 -5.852 -2.496 -3.961 49 1HB SER 8 2HB SER 8 -7.884 -2.777 -5.709 50 2HB SER 8 1HB SER 8 -6.869 -4.127 -6.217 51 HG SER 8 HG SER 8 -8.399 -4.646 -4.538 52 H LYS 9 H LYS 9 -4.885 -4.688 -3.862 53 HA LYS 9 HA LYS 9 -3.122 -6.099 -4.127 54 1HB LYS 9 2HB LYS 9 -3.270 -5.181 -7.004 55 2HB LYS 9 1HB LYS 9 -2.345 -6.561 -6.426 56 1HG LYS 9 2HG LYS 9 -5.336 -6.280 -6.216 57 2HG LYS 9 1HG LYS 9 -4.484 -7.199 -7.459 58 1HD LYS 9 2HD LYS 9 -4.920 -8.880 -5.973 59 2HD LYS 9 1HD LYS 9 -3.365 -8.330 -5.346 60 1HE LYS 9 2HE LYS 9 -4.471 -8.232 -3.389 61 2HE LYS 9 1HE LYS 9 -5.044 -6.686 -4.014 62 1HZ LYS 9 1HZ LYS 9 -6.470 -9.281 -4.254 63 2HZ LYS 9 2HZ LYS 9 -7.023 -7.794 -4.843 64 3HZ LYS 9 3HZ LYS 9 -6.863 -8.036 -3.177 65 H CYS 10 H CYS 10 -1.678 -4.985 -2.828 66 HA CYS 10 HA CYS 10 0.426 -3.561 -4.290 67 1HB CYS 10 2HB CYS 10 -1.263 -2.501 -2.104 68 2HB CYS 10 1HB CYS 10 0.462 -2.173 -1.971 69 H ALA 11 H ALA 11 -0.144 -6.221 -2.699 70 HA ALA 11 HA ALA 11 2.462 -6.814 -2.005 71 1HB ALA 11 1HB ALA 11 2.531 -5.296 -0.237 72 2HB ALA 11 2HB ALA 11 2.170 -6.833 0.549 73 3HB ALA 11 3HB ALA 11 0.881 -5.662 0.268 74 H ALA 12 H ALA 12 -0.911 -7.272 -1.062 75 HA ALA 12 HA ALA 12 -2.178 -9.138 -0.773 76 1HB ALA 12 1HB ALA 12 -0.774 -9.627 -3.003 77 2HB ALA 12 2HB ALA 12 -1.925 -10.773 -2.317 78 3HB ALA 12 3HB ALA 12 -0.201 -10.959 -1.999 79 H ALA 13 H ALA 13 -0.099 -8.386 1.186 80 HA ALA 13 HA ALA 13 -0.250 -10.774 2.796 81 1HB ALA 13 1HB ALA 13 2.454 -9.684 2.025 82 2HB ALA 13 2HB ALA 13 1.772 -11.228 1.513 83 3HB ALA 13 3HB ALA 13 2.152 -10.951 3.213 84 H ALA 14 H ALA 14 -1.123 -7.934 2.828 85 HA ALA 14 HA ALA 14 -1.426 -6.272 4.351 86 1HB ALA 14 1HB ALA 14 -1.503 -6.859 6.563 87 2HB ALA 14 2HB ALA 14 -0.017 -7.805 6.478 88 3HB ALA 14 3HB ALA 14 -1.516 -8.456 5.815 89 H ASN 15 H ASN 15 1.013 -6.379 2.759 90 HA ASN 15 HA ASN 15 3.068 -5.272 4.498 91 1HB ASN 15 2HB ASN 15 3.272 -6.811 2.294 92 2HB ASN 15 1HB ASN 15 3.424 -5.220 1.555 93 1HD2 ASN 15 1HD2 ASN 15 5.545 -6.591 1.197 94 2HD2 ASN 15 2HD2 ASN 15 6.823 -6.196 2.292 95 H VAL 16 H VAL 16 1.733 -3.437 5.119 96 HA VAL 16 HA VAL 16 0.799 -1.506 3.314 97 HB VAL 16 HB VAL 16 1.713 -1.020 6.150 98 1HG1 VAL 16 1HG1 VAL 16 -0.421 0.601 5.724 99 2HG1 VAL 16 2HG1 VAL 16 0.328 0.597 4.128 100 3HG1 VAL 16 3HG1 VAL 16 1.262 1.097 5.538 101 1HG2 VAL 16 1HG2 VAL 16 -0.153 -2.851 5.431 102 2HG2 VAL 16 2HG2 VAL 16 -1.148 -1.407 5.612 103 3HG2 VAL 16 3HG2 VAL 16 -0.159 -1.969 6.958 104 H ALA 17 H ALA 17 3.891 -1.762 5.039 105 HA ALA 17 HA ALA 17 4.971 0.688 4.282 106 1HB ALA 17 1HB ALA 17 7.211 -0.607 4.476 107 2HB ALA 17 2HB ALA 17 6.194 -1.947 5.006 108 3HB ALA 17 3HB ALA 17 6.193 -0.431 5.907 109 H ALA 18 H ALA 18 4.999 -2.423 2.594 110 HA ALA 18 HA ALA 18 6.619 -1.599 0.427 111 1HB ALA 18 1HB ALA 18 6.135 -3.637 -0.537 112 2HB ALA 18 2HB ALA 18 4.479 -3.651 0.069 113 3HB ALA 18 3HB ALA 18 5.820 -3.984 1.162 114 H HIS 19 H HIS 19 3.277 -1.209 1.223 115 HA HIS 19 HA HIS 19 2.402 -0.428 -1.389 116 1HB HIS 19 2HB HIS 19 0.603 -1.218 -0.232 117 2HB HIS 19 1HB HIS 19 1.227 -0.682 1.320 118 HD2 HIS 19 2HD HIS 19 0.268 1.675 2.237 119 HE1 HIS 19 1HE HIS 19 -2.144 2.558 -1.108 120 HE2 HIS 19 2HE HIS 19 -1.458 3.299 1.213 121 H MET 20 H MET 20 2.766 1.381 1.685 122 HA MET 20 HA MET 20 2.340 3.901 0.552 123 1HB MET 20 2HB MET 20 2.373 3.253 3.012 124 2HB MET 20 1HB MET 20 4.119 3.430 2.924 125 1HG MET 20 2HG MET 20 3.296 5.765 1.821 126 2HG MET 20 1HG MET 20 2.014 5.463 2.994 127 1HE MET 20 1HE MET 20 3.278 7.444 5.616 128 2HE MET 20 2HE MET 20 2.708 5.816 5.979 129 3HE MET 20 3HE MET 20 1.982 6.729 4.658 130 H THR 21 H THR 21 5.181 1.907 0.621 131 HA THR 21 HA THR 21 7.203 3.744 0.215 132 HB THR 21 HB THR 21 7.216 1.122 0.311 133 HG1 THR 21 1HG THR 21 9.241 1.572 0.189 134 1HG2 THR 21 1HG2 THR 21 7.169 -0.099 -1.576 135 2HG2 THR 21 2HG2 THR 21 7.783 1.216 -2.577 136 3HG2 THR 21 3HG2 THR 21 6.085 1.190 -2.100 137 H HIS 22 H HIS 22 4.604 2.812 -1.840 138 HA HIS 22 HA HIS 22 5.528 4.713 -3.876 139 1HB HIS 22 2HB HIS 22 4.562 3.180 -5.613 140 2HB HIS 22 1HB HIS 22 5.988 2.543 -4.798 141 HD1 HIS 22 1HD HIS 22 5.705 0.125 -4.371 142 HD2 HIS 22 2HD HIS 22 2.135 2.201 -3.948 143 HE1 HIS 22 1HE HIS 22 4.007 -1.590 -3.658 144 HE2 HIS 22 2HE HIS 22 1.900 -0.279 -3.268 145 H CYS 23 H CYS 23 3.085 3.846 -1.726 146 HA CYS 23 HA CYS 23 1.053 5.199 -3.370 147 1HB CYS 23 2HB CYS 23 0.877 2.988 -1.366 148 2HB CYS 23 1HB CYS 23 -0.448 4.138 -1.446 149 H ALA 24 H ALA 24 2.582 7.025 -2.439 150 HA ALA 24 HA ALA 24 1.255 8.043 -0.012 151 1HB ALA 24 1HB ALA 24 3.400 7.540 0.758 152 2HB ALA 24 2HB ALA 24 3.476 9.263 0.391 153 3HB ALA 24 3HB ALA 24 4.166 8.092 -0.732 154 H LYS 25 H LYS 25 -0.129 8.878 -1.881 155 HA LYS 25 HA LYS 25 0.667 11.621 -2.387 156 1HB LYS 25 2HB LYS 25 0.176 11.482 -4.803 157 2HB LYS 25 1HB LYS 25 1.566 10.508 -4.346 158 1HG LYS 25 2HG LYS 25 -1.047 9.135 -4.369 159 2HG LYS 25 1HG LYS 25 -0.396 9.627 -5.934 160 1HD LYS 25 2HD LYS 25 1.494 8.307 -4.085 161 2HD LYS 25 1HD LYS 25 0.207 7.293 -4.741 162 1HE LYS 25 2HE LYS 25 1.036 7.371 -6.845 163 2HE LYS 25 1HE LYS 25 1.592 9.036 -6.676 164 1HZ LYS 25 1HZ LYS 25 3.594 8.384 -5.876 165 2HZ LYS 25 2HZ LYS 25 3.254 7.007 -6.798 166 3HZ LYS 25 3HZ LYS 25 2.990 6.992 -5.128 Start of MODEL 15 1 1H ALA 1 1HT ALA 1 -1.651 5.009 3.795 2 2H ALA 1 2HT ALA 1 -2.507 4.436 2.422 3 3H ALA 1 3HT ALA 1 -0.865 3.997 2.656 4 HA ALA 1 HA ALA 1 -1.320 2.563 4.320 5 1HB ALA 1 1HB ALA 1 -2.550 3.602 5.918 6 2HB ALA 1 2HB ALA 1 -3.838 2.635 5.202 7 3HB ALA 1 3HB ALA 1 -3.656 4.330 4.752 8 H VAL 2 H VAL 2 -1.672 0.592 3.701 9 HA VAL 2 HA VAL 2 -2.730 -0.099 1.238 10 HB VAL 2 HB VAL 2 -1.166 -1.409 2.747 11 1HG1 VAL 2 1HG1 VAL 2 -2.866 -1.369 4.663 12 2HG1 VAL 2 2HG1 VAL 2 -1.996 -2.874 4.368 13 3HG1 VAL 2 3HG1 VAL 2 -3.660 -2.694 3.812 14 1HG2 VAL 2 1HG2 VAL 2 -3.395 -2.639 1.163 15 2HG2 VAL 2 2HG2 VAL 2 -2.154 -3.644 1.916 16 3HG2 VAL 2 3HG2 VAL 2 -1.700 -2.427 0.722 17 H SER 3 H SER 3 -4.349 0.436 4.243 18 HA SER 3 HA SER 3 -6.705 -1.066 3.661 19 1HB SER 3 2HB SER 3 -5.753 -0.024 5.939 20 2HB SER 3 1HB SER 3 -6.850 1.280 5.488 21 HG SER 3 HG SER 3 -7.643 -1.436 5.559 22 H ALA 4 H ALA 4 -5.614 2.202 3.072 23 HA ALA 4 HA ALA 4 -8.159 2.789 1.709 24 1HB ALA 4 1HB ALA 4 -6.138 4.793 2.700 25 2HB ALA 4 2HB ALA 4 -7.552 4.277 3.618 26 3HB ALA 4 3HB ALA 4 -7.757 5.119 2.082 27 H CYS 5 H CYS 5 -5.665 1.362 0.741 28 HA CYS 5 HA CYS 5 -4.116 2.828 -0.983 29 1HB CYS 5 2HB CYS 5 -3.698 0.480 -0.619 30 2HB CYS 5 1HB CYS 5 -5.240 0.046 -1.345 31 H ALA 6 H ALA 6 -4.388 3.889 -2.840 32 HA ALA 6 HA ALA 6 -7.014 4.384 -3.823 33 1HB ALA 6 1HB ALA 6 -4.283 5.207 -4.772 34 2HB ALA 6 2HB ALA 6 -5.494 6.181 -3.938 35 3HB ALA 6 3HB ALA 6 -5.763 5.678 -5.606 36 H LEU 7 H LEU 7 -4.361 2.323 -4.856 37 HA LEU 7 HA LEU 7 -5.888 1.549 -7.230 38 1HB LEU 7 2HB LEU 7 -3.782 0.396 -7.903 39 2HB LEU 7 1HB LEU 7 -3.659 2.137 -7.780 40 HG LEU 7 HG LEU 7 -2.790 1.502 -5.335 41 1HD1 LEU 7 1HD1 LEU 7 -2.702 -0.988 -6.863 42 2HD1 LEU 7 2HD1 LEU 7 -2.603 -0.716 -5.124 43 3HD1 LEU 7 3HD1 LEU 7 -1.164 -0.540 -6.126 44 1HD2 LEU 7 1HD2 LEU 7 -1.072 1.350 -7.807 45 2HD2 LEU 7 2HD2 LEU 7 -0.541 1.763 -6.177 46 3HD2 LEU 7 3HD2 LEU 7 -1.628 2.842 -7.050 47 H SER 8 H SER 8 -5.233 -0.934 -7.763 48 HA SER 8 HA SER 8 -6.827 -2.504 -6.159 49 1HB SER 8 2HB SER 8 -6.141 -3.069 -8.477 50 2HB SER 8 1HB SER 8 -4.533 -3.473 -7.876 51 HG SER 8 HG SER 8 -6.731 -4.993 -7.922 52 H LYS 9 H LYS 9 -5.611 -4.818 -5.479 53 HA LYS 9 HA LYS 9 -4.661 -4.389 -2.923 54 1HB LYS 9 2HB LYS 9 -4.527 -6.696 -4.815 55 2HB LYS 9 1HB LYS 9 -3.596 -6.773 -3.325 56 1HG LYS 9 2HG LYS 9 -5.902 -6.066 -2.257 57 2HG LYS 9 1HG LYS 9 -6.536 -6.797 -3.733 58 1HD LYS 9 2HD LYS 9 -5.246 -8.847 -3.220 59 2HD LYS 9 1HD LYS 9 -4.731 -8.111 -1.702 60 1HE LYS 9 2HE LYS 9 -6.627 -9.633 -1.382 61 2HE LYS 9 1HE LYS 9 -7.039 -7.972 -0.959 62 1HZ LYS 9 1HZ LYS 9 -7.600 -8.914 -3.681 63 2HZ LYS 9 2HZ LYS 9 -8.416 -7.759 -2.753 64 3HZ LYS 9 3HZ LYS 9 -8.625 -9.406 -2.428 65 H CYS 10 H CYS 10 -2.586 -4.612 -1.963 66 HA CYS 10 HA CYS 10 -0.299 -4.229 -3.764 67 1HB CYS 10 2HB CYS 10 -1.274 -2.393 -1.632 68 2HB CYS 10 1HB CYS 10 0.466 -2.592 -1.801 69 H ALA 11 H ALA 11 1.498 -5.316 -3.186 70 HA ALA 11 HA ALA 11 2.979 -6.552 -1.960 71 1HB ALA 11 1HB ALA 11 2.372 -4.895 -0.118 72 2HB ALA 11 2HB ALA 11 3.034 -6.451 0.380 73 3HB ALA 11 3HB ALA 11 1.300 -6.153 0.496 74 H ALA 12 H ALA 12 -0.320 -7.159 -0.722 75 HA ALA 12 HA ALA 12 -1.614 -9.043 -0.794 76 1HB ALA 12 1HB ALA 12 -0.107 -9.391 -3.006 77 2HB ALA 12 2HB ALA 12 -1.318 -10.546 -2.447 78 3HB ALA 12 3HB ALA 12 0.384 -10.797 -2.060 79 H ALA 13 H ALA 13 0.291 -8.371 1.291 80 HA ALA 13 HA ALA 13 0.177 -10.841 2.753 81 1HB ALA 13 1HB ALA 13 2.728 -9.885 1.607 82 2HB ALA 13 2HB ALA 13 2.206 -11.520 2.015 83 3HB ALA 13 3HB ALA 13 2.770 -10.432 3.283 84 H ALA 14 H ALA 14 -0.815 -8.084 2.921 85 HA ALA 14 HA ALA 14 -1.221 -6.504 4.504 86 1HB ALA 14 1HB ALA 14 -1.059 -7.111 6.786 87 2HB ALA 14 2HB ALA 14 0.214 -8.287 6.458 88 3HB ALA 14 3HB ALA 14 -1.433 -8.594 5.908 89 H ASN 15 H ASN 15 1.238 -6.418 2.946 90 HA ASN 15 HA ASN 15 3.165 -5.216 4.782 91 1HB ASN 15 2HB ASN 15 3.606 -6.814 2.678 92 2HB ASN 15 1HB ASN 15 3.665 -5.261 1.852 93 1HD2 ASN 15 1HD2 ASN 15 5.612 -7.473 2.943 94 2HD2 ASN 15 2HD2 ASN 15 6.916 -6.526 3.567 95 H VAL 16 H VAL 16 1.713 -3.430 5.266 96 HA VAL 16 HA VAL 16 0.758 -1.609 3.376 97 HB VAL 16 HB VAL 16 1.607 -0.969 6.203 98 1HG1 VAL 16 1HG1 VAL 16 1.038 1.101 5.582 99 2HG1 VAL 16 2HG1 VAL 16 -0.626 0.516 5.604 100 3HG1 VAL 16 3HG1 VAL 16 0.280 0.541 4.091 101 1HG2 VAL 16 1HG2 VAL 16 -0.132 -2.114 6.995 102 2HG2 VAL 16 2HG2 VAL 16 -0.283 -2.843 5.398 103 3HG2 VAL 16 3HG2 VAL 16 -1.225 -1.409 5.804 104 H ALA 17 H ALA 17 3.828 -1.655 5.160 105 HA ALA 17 HA ALA 17 4.819 0.803 4.319 106 1HB ALA 17 1HB ALA 17 5.820 -0.722 6.058 107 2HB ALA 17 2HB ALA 17 6.976 0.031 4.959 108 3HB ALA 17 3HB ALA 17 6.511 -1.656 4.731 109 H ALA 18 H ALA 18 5.001 -2.369 2.754 110 HA ALA 18 HA ALA 18 6.621 -1.578 0.581 111 1HB ALA 18 1HB ALA 18 6.070 -3.636 -0.413 112 2HB ALA 18 2HB ALA 18 4.519 -3.722 0.422 113 3HB ALA 18 3HB ALA 18 6.019 -3.949 1.322 114 H HIS 19 H HIS 19 3.237 -1.298 1.284 115 HA HIS 19 HA HIS 19 2.397 -0.613 -1.360 116 1HB HIS 19 2HB HIS 19 0.596 -1.406 -0.204 117 2HB HIS 19 1HB HIS 19 1.179 -0.797 1.335 118 HD2 HIS 19 2HD HIS 19 0.147 1.567 2.147 119 HE1 HIS 19 1HE HIS 19 -2.239 2.254 -1.260 120 HE2 HIS 19 2HE HIS 19 -1.610 3.101 1.040 121 H MET 20 H MET 20 2.655 1.315 1.649 122 HA MET 20 HA MET 20 2.192 3.778 0.411 123 1HB MET 20 2HB MET 20 2.190 3.214 2.897 124 2HB MET 20 1HB MET 20 3.930 3.459 2.837 125 1HG MET 20 2HG MET 20 3.027 5.712 1.625 126 2HG MET 20 1HG MET 20 1.744 5.404 2.793 127 1HE MET 20 1HE MET 20 2.830 7.867 4.828 128 2HE MET 20 2HE MET 20 2.558 6.438 5.825 129 3HE MET 20 3HE MET 20 1.607 6.686 4.360 130 H THR 21 H THR 21 5.086 1.869 0.634 131 HA THR 21 HA THR 21 7.059 3.754 0.196 132 HB THR 21 HB THR 21 7.144 1.132 0.407 133 HG1 THR 21 1HG THR 21 9.264 1.224 -0.340 134 1HG2 THR 21 1HG2 THR 21 7.204 -0.158 -1.430 135 2HG2 THR 21 2HG2 THR 21 7.848 1.129 -2.449 136 3HG2 THR 21 3HG2 THR 21 6.127 1.088 -2.062 137 H HIS 22 H HIS 22 4.541 2.649 -1.875 138 HA HIS 22 HA HIS 22 5.467 4.477 -3.975 139 1HB HIS 22 2HB HIS 22 4.605 2.838 -5.665 140 2HB HIS 22 1HB HIS 22 6.019 2.278 -4.772 141 HD1 HIS 22 1HD HIS 22 5.780 -0.128 -4.257 142 HD2 HIS 22 2HD HIS 22 2.153 1.875 -4.022 143 HE1 HIS 22 1HE HIS 22 4.103 -1.853 -3.518 144 HE2 HIS 22 2HE HIS 22 1.946 -0.586 -3.269 145 H CYS 23 H CYS 23 2.996 3.663 -1.844 146 HA CYS 23 HA CYS 23 0.970 4.858 -3.614 147 1HB CYS 23 2HB CYS 23 0.798 2.753 -1.497 148 2HB CYS 23 1HB CYS 23 -0.560 3.848 -1.694 149 H ALA 24 H ALA 24 0.641 6.930 -3.204 150 HA ALA 24 HA ALA 24 0.013 7.843 -0.564 151 1HB ALA 24 1HB ALA 24 2.652 8.549 -1.791 152 2HB ALA 24 2HB ALA 24 2.289 8.042 -0.141 153 3HB ALA 24 3HB ALA 24 1.843 9.660 -0.686 154 H LYS 25 H LYS 25 -1.308 7.777 -3.086 155 HA LYS 25 HA LYS 25 -2.008 10.582 -3.293 156 1HB LYS 25 2HB LYS 25 -1.848 10.551 -5.785 157 2HB LYS 25 1HB LYS 25 -0.292 10.485 -4.969 158 1HG LYS 25 2HG LYS 25 -0.748 7.861 -5.258 159 2HG LYS 25 1HG LYS 25 -1.638 8.475 -6.654 160 1HD LYS 25 2HD LYS 25 0.532 9.870 -7.062 161 2HD LYS 25 1HD LYS 25 1.282 8.645 -6.038 162 1HE LYS 25 2HE LYS 25 -0.132 7.080 -7.726 163 2HE LYS 25 1HE LYS 25 0.231 8.442 -8.783 164 1HZ LYS 25 1HZ LYS 25 2.116 7.285 -9.114 165 2HZ LYS 25 2HZ LYS 25 2.015 6.452 -7.645 166 3HZ LYS 25 3HZ LYS 25 2.612 8.034 -7.680 Start of MODEL 16 1 1H ALA 1 1HT ALA 1 -1.402 4.711 4.115 2 2H ALA 1 2HT ALA 1 -2.367 4.321 2.751 3 3H ALA 1 3HT ALA 1 -0.735 3.794 2.829 4 HA ALA 1 HA ALA 1 -1.155 2.233 4.401 5 1HB ALA 1 1HB ALA 1 -2.310 3.153 6.124 6 2HB ALA 1 2HB ALA 1 -3.641 2.278 5.368 7 3HB ALA 1 3HB ALA 1 -3.435 4.004 5.065 8 H VAL 2 H VAL 2 -1.546 0.348 3.586 9 HA VAL 2 HA VAL 2 -2.669 -0.113 1.116 10 HB VAL 2 HB VAL 2 -1.149 -1.598 2.485 11 1HG1 VAL 2 1HG1 VAL 2 -2.635 -1.663 4.484 12 2HG1 VAL 2 2HG1 VAL 2 -2.106 -3.251 3.929 13 3HG1 VAL 2 3HG1 VAL 2 -3.739 -2.692 3.572 14 1HG2 VAL 2 1HG2 VAL 2 -3.480 -2.678 0.923 15 2HG2 VAL 2 2HG2 VAL 2 -2.180 -3.720 1.506 16 3HG2 VAL 2 3HG2 VAL 2 -1.822 -2.407 0.383 17 H SER 3 H SER 3 -4.253 0.200 4.181 18 HA SER 3 HA SER 3 -6.667 -1.146 3.491 19 1HB SER 3 2HB SER 3 -5.668 -0.320 5.836 20 2HB SER 3 1HB SER 3 -6.719 1.055 5.495 21 HG SER 3 HG SER 3 -7.510 -1.672 5.547 22 H ALA 4 H ALA 4 -5.460 2.119 3.147 23 HA ALA 4 HA ALA 4 -8.006 2.928 1.911 24 1HB ALA 4 1HB ALA 4 -5.878 4.890 2.643 25 2HB ALA 4 2HB ALA 4 -6.908 4.210 3.902 26 3HB ALA 4 3HB ALA 4 -7.627 5.104 2.563 27 H CYS 5 H CYS 5 -5.579 1.424 0.781 28 HA CYS 5 HA CYS 5 -4.131 2.958 -1.006 29 1HB CYS 5 2HB CYS 5 -3.633 0.616 -0.622 30 2HB CYS 5 1HB CYS 5 -5.169 0.139 -1.333 31 H ALA 6 H ALA 6 -4.475 3.858 -2.956 32 HA ALA 6 HA ALA 6 -7.189 4.273 -3.784 33 1HB ALA 6 1HB ALA 6 -4.527 5.265 -4.717 34 2HB ALA 6 2HB ALA 6 -5.888 6.168 -4.051 35 3HB ALA 6 3HB ALA 6 -5.971 5.530 -5.693 36 H LEU 7 H LEU 7 -4.482 2.324 -4.896 37 HA LEU 7 HA LEU 7 -6.077 1.439 -7.189 38 1HB LEU 7 2HB LEU 7 -3.957 0.432 -7.984 39 2HB LEU 7 1HB LEU 7 -3.906 2.175 -7.833 40 HG LEU 7 HG LEU 7 -2.934 0.602 -5.520 41 1HD1 LEU 7 1HD1 LEU 7 -2.015 -0.603 -7.473 42 2HD1 LEU 7 2HD1 LEU 7 -0.775 0.191 -6.502 43 3HD1 LEU 7 3HD1 LEU 7 -1.294 0.907 -8.028 44 1HD2 LEU 7 1HD2 LEU 7 -2.552 2.775 -5.062 45 2HD2 LEU 7 2HD2 LEU 7 -2.535 3.241 -6.762 46 3HD2 LEU 7 3HD2 LEU 7 -1.103 2.510 -6.034 47 H SER 8 H SER 8 -5.372 -0.995 -7.744 48 HA SER 8 HA SER 8 -6.728 -2.630 -5.985 49 1HB SER 8 2HB SER 8 -5.811 -2.961 -8.482 50 2HB SER 8 1HB SER 8 -4.596 -3.900 -7.616 51 HG SER 8 HG SER 8 -7.300 -4.392 -7.983 52 H LYS 9 H LYS 9 -5.345 -4.877 -5.422 53 HA LYS 9 HA LYS 9 -4.142 -4.374 -2.987 54 1HB LYS 9 2HB LYS 9 -3.849 -6.721 -4.859 55 2HB LYS 9 1HB LYS 9 -3.160 -6.698 -3.242 56 1HG LYS 9 2HG LYS 9 -5.164 -6.968 -2.234 57 2HG LYS 9 1HG LYS 9 -6.031 -6.041 -3.460 58 1HD LYS 9 2HD LYS 9 -6.445 -7.862 -4.727 59 2HD LYS 9 1HD LYS 9 -4.871 -8.584 -4.384 60 1HE LYS 9 2HE LYS 9 -5.605 -9.544 -2.398 61 2HE LYS 9 1HE LYS 9 -6.980 -8.448 -2.265 62 1HZ LYS 9 1HZ LYS 9 -7.187 -10.953 -3.114 63 2HZ LYS 9 2HZ LYS 9 -6.949 -10.179 -4.599 64 3HZ LYS 9 3HZ LYS 9 -8.239 -9.723 -3.606 65 H CYS 10 H CYS 10 -2.060 -4.142 -2.256 66 HA CYS 10 HA CYS 10 0.000 -3.723 -4.322 67 1HB CYS 10 2HB CYS 10 -0.737 -2.109 -1.920 68 2HB CYS 10 1HB CYS 10 0.951 -2.151 -2.418 69 H ALA 11 H ALA 11 -0.713 -6.106 -2.613 70 HA ALA 11 HA ALA 11 1.862 -7.067 -2.147 71 1HB ALA 11 1HB ALA 11 2.388 -6.651 0.001 72 2HB ALA 11 2HB ALA 11 0.715 -6.781 0.546 73 3HB ALA 11 3HB ALA 11 1.290 -5.284 -0.189 74 H ALA 12 H ALA 12 1.532 -8.890 -0.149 75 HA ALA 12 HA ALA 12 -1.001 -10.265 -0.635 76 1HB ALA 12 1HB ALA 12 1.666 -11.195 -1.537 77 2HB ALA 12 2HB ALA 12 0.077 -11.430 -2.264 78 3HB ALA 12 3HB ALA 12 0.563 -12.399 -0.873 79 H ALA 13 H ALA 13 0.292 -8.921 1.660 80 HA ALA 13 HA ALA 13 -0.344 -10.842 3.648 81 1HB ALA 13 1HB ALA 13 1.841 -11.741 3.069 82 2HB ALA 13 2HB ALA 13 1.861 -11.056 4.694 83 3HB ALA 13 3HB ALA 13 2.580 -10.165 3.353 84 H ALA 14 H ALA 14 -0.999 -8.110 2.919 85 HA ALA 14 HA ALA 14 -1.482 -6.138 3.941 86 1HB ALA 14 1HB ALA 14 -1.537 -6.056 6.357 87 2HB ALA 14 2HB ALA 14 -0.531 -7.501 6.457 88 3HB ALA 14 3HB ALA 14 -2.164 -7.607 5.800 89 H ASN 15 H ASN 15 1.072 -6.462 2.724 90 HA ASN 15 HA ASN 15 3.048 -5.243 4.434 91 1HB ASN 15 2HB ASN 15 3.019 -6.577 1.889 92 2HB ASN 15 1HB ASN 15 3.838 -5.028 1.719 93 1HD2 ASN 15 1HD2 ASN 15 5.393 -4.571 3.599 94 2HD2 ASN 15 2HD2 ASN 15 6.435 -5.879 4.035 95 H VAL 16 H VAL 16 1.725 -3.386 5.010 96 HA VAL 16 HA VAL 16 0.831 -1.470 3.174 97 HB VAL 16 HB VAL 16 1.737 -0.947 6.006 98 1HG1 VAL 16 1HG1 VAL 16 1.260 1.158 5.399 99 2HG1 VAL 16 2HG1 VAL 16 -0.424 0.649 5.516 100 3HG1 VAL 16 3HG1 VAL 16 0.391 0.646 3.952 101 1HG2 VAL 16 1HG2 VAL 16 0.159 -2.442 6.559 102 2HG2 VAL 16 2HG2 VAL 16 -0.557 -2.428 4.948 103 3HG2 VAL 16 3HG2 VAL 16 -0.980 -1.173 6.111 104 H ALA 17 H ALA 17 3.906 -1.730 4.931 105 HA ALA 17 HA ALA 17 5.018 0.700 4.178 106 1HB ALA 17 1HB ALA 17 5.879 -1.315 5.708 107 2HB ALA 17 2HB ALA 17 6.956 -0.070 5.077 108 3HB ALA 17 3HB ALA 17 6.842 -1.631 4.265 109 H ALA 18 H ALA 18 5.030 -2.401 2.466 110 HA ALA 18 HA ALA 18 6.655 -1.545 0.307 111 1HB ALA 18 1HB ALA 18 6.169 -3.579 -0.695 112 2HB ALA 18 2HB ALA 18 4.545 -3.644 -0.012 113 3HB ALA 18 3HB ALA 18 5.947 -3.945 1.015 114 H HIS 19 H HIS 19 3.324 -1.179 1.115 115 HA HIS 19 HA HIS 19 2.449 -0.392 -1.507 116 1HB HIS 19 2HB HIS 19 0.664 -1.281 -0.400 117 2HB HIS 19 1HB HIS 19 1.247 -0.774 1.174 118 HD2 HIS 19 2HD HIS 19 0.170 1.494 2.163 119 HE1 HIS 19 1HE HIS 19 -2.223 2.409 -1.183 120 HE2 HIS 19 2HE HIS 19 -1.609 3.083 1.176 121 H MET 20 H MET 20 2.743 1.327 1.621 122 HA MET 20 HA MET 20 2.223 3.868 0.572 123 1HB MET 20 2HB MET 20 2.283 3.132 3.011 124 2HB MET 20 1HB MET 20 4.019 3.392 2.929 125 1HG MET 20 2HG MET 20 3.082 5.721 1.903 126 2HG MET 20 1HG MET 20 1.824 5.322 3.072 127 1HE MET 20 1HE MET 20 2.362 4.672 5.574 128 2HE MET 20 2HE MET 20 3.892 5.001 6.387 129 3HE MET 20 3HE MET 20 3.773 3.668 5.239 130 H THR 21 H THR 21 5.128 1.970 0.562 131 HA THR 21 HA THR 21 7.092 3.884 0.235 132 HB THR 21 HB THR 21 7.196 1.268 0.214 133 HG1 THR 21 1HG THR 21 8.954 2.780 -1.412 134 1HG2 THR 21 1HG2 THR 21 7.717 1.489 -2.675 135 2HG2 THR 21 2HG2 THR 21 6.026 1.400 -2.178 136 3HG2 THR 21 3HG2 THR 21 7.150 0.120 -1.718 137 H HIS 22 H HIS 22 4.520 2.958 -1.861 138 HA HIS 22 HA HIS 22 5.374 4.982 -3.807 139 1HB HIS 22 2HB HIS 22 4.428 3.493 -5.605 140 2HB HIS 22 1HB HIS 22 5.898 2.887 -4.844 141 HD1 HIS 22 1HD HIS 22 5.743 0.451 -4.467 142 HD2 HIS 22 2HD HIS 22 2.070 2.325 -3.996 143 HE1 HIS 22 1HE HIS 22 4.136 -1.370 -3.810 144 HE2 HIS 22 2HE HIS 22 1.966 -0.180 -3.381 145 H CYS 23 H CYS 23 2.967 3.923 -1.699 146 HA CYS 23 HA CYS 23 0.887 5.301 -3.259 147 1HB CYS 23 2HB CYS 23 0.786 2.985 -1.367 148 2HB CYS 23 1HB CYS 23 -0.581 4.085 -1.414 149 H ALA 24 H ALA 24 2.756 6.817 -1.880 150 HA ALA 24 HA ALA 24 1.364 7.691 0.552 151 1HB ALA 24 1HB ALA 24 3.937 7.166 0.354 152 2HB ALA 24 2HB ALA 24 3.351 8.493 1.357 153 3HB ALA 24 3HB ALA 24 3.998 8.820 -0.252 154 H LYS 25 H LYS 25 0.223 8.284 -1.979 155 HA LYS 25 HA LYS 25 0.125 11.176 -1.762 156 1HB LYS 25 2HB LYS 25 0.486 11.555 -4.152 157 2HB LYS 25 1HB LYS 25 1.903 10.827 -3.408 158 1HG LYS 25 2HG LYS 25 0.754 8.597 -4.229 159 2HG LYS 25 1HG LYS 25 0.005 9.697 -5.388 160 1HD LYS 25 2HD LYS 25 2.904 10.042 -5.021 161 2HD LYS 25 1HD LYS 25 2.414 8.509 -5.745 162 1HE LYS 25 2HE LYS 25 1.261 11.073 -6.759 163 2HE LYS 25 1HE LYS 25 2.879 10.581 -7.258 164 1HZ LYS 25 1HZ LYS 25 0.831 9.873 -8.648 165 2HZ LYS 25 2HZ LYS 25 0.651 8.673 -7.471 166 3HZ LYS 25 3HZ LYS 25 2.076 8.758 -8.377 Start of MODEL 17 1 1H ALA 1 1HT ALA 1 -1.426 4.657 4.189 2 2H ALA 1 2HT ALA 1 -2.360 4.239 2.811 3 3H ALA 1 3HT ALA 1 -0.710 3.776 2.905 4 HA ALA 1 HA ALA 1 -1.083 2.177 4.439 5 1HB ALA 1 1HB ALA 1 -2.245 3.060 6.183 6 2HB ALA 1 2HB ALA 1 -3.547 2.127 5.442 7 3HB ALA 1 3HB ALA 1 -3.421 3.861 5.141 8 H VAL 2 H VAL 2 -1.433 0.290 3.605 9 HA VAL 2 HA VAL 2 -2.584 -0.158 1.138 10 HB VAL 2 HB VAL 2 -0.985 -1.616 2.464 11 1HG1 VAL 2 1HG1 VAL 2 -2.406 -1.816 4.475 12 2HG1 VAL 2 2HG1 VAL 2 -1.906 -3.380 3.830 13 3HG1 VAL 2 3HG1 VAL 2 -3.544 -2.790 3.544 14 1HG2 VAL 2 1HG2 VAL 2 -1.574 -2.435 0.369 15 2HG2 VAL 2 2HG2 VAL 2 -3.261 -2.667 0.823 16 3HG2 VAL 2 3HG2 VAL 2 -2.022 -3.757 1.448 17 H SER 3 H SER 3 -4.104 0.032 4.244 18 HA SER 3 HA SER 3 -6.489 -1.377 3.563 19 1HB SER 3 2HB SER 3 -5.571 0.322 5.828 20 2HB SER 3 1HB SER 3 -7.312 0.156 5.601 21 HG SER 3 HG SER 3 -6.948 -2.149 5.606 22 H ALA 4 H ALA 4 -5.373 1.913 3.257 23 HA ALA 4 HA ALA 4 -7.995 2.709 2.186 24 1HB ALA 4 1HB ALA 4 -5.797 4.598 2.974 25 2HB ALA 4 2HB ALA 4 -6.975 3.987 4.134 26 3HB ALA 4 3HB ALA 4 -7.512 4.940 2.750 27 H CYS 5 H CYS 5 -5.531 1.311 0.909 28 HA CYS 5 HA CYS 5 -4.309 2.978 -0.944 29 1HB CYS 5 2HB CYS 5 -3.591 0.674 -0.566 30 2HB CYS 5 1HB CYS 5 -5.094 0.074 -1.256 31 H ALA 6 H ALA 6 -4.801 3.700 -2.974 32 HA ALA 6 HA ALA 6 -7.635 3.683 -3.659 33 1HB ALA 6 1HB ALA 6 -5.660 5.248 -5.230 34 2HB ALA 6 2HB ALA 6 -5.985 5.742 -3.568 35 3HB ALA 6 3HB ALA 6 -7.302 5.663 -4.739 36 H LEU 7 H LEU 7 -4.587 2.448 -4.828 37 HA LEU 7 HA LEU 7 -5.772 1.697 -7.378 38 1HB LEU 7 2HB LEU 7 -3.646 1.363 -8.172 39 2HB LEU 7 1HB LEU 7 -3.388 2.639 -7.006 40 HG LEU 7 HG LEU 7 -2.941 0.435 -5.471 41 1HD1 LEU 7 1HD1 LEU 7 -2.393 -0.268 -8.306 42 2HD1 LEU 7 2HD1 LEU 7 -2.940 -1.284 -6.972 43 3HD1 LEU 7 3HD1 LEU 7 -1.248 -0.797 -7.074 44 1HD2 LEU 7 1HD2 LEU 7 -1.580 2.545 -5.821 45 2HD2 LEU 7 2HD2 LEU 7 -0.798 1.700 -7.156 46 3HD2 LEU 7 3HD2 LEU 7 -0.669 1.067 -5.515 47 H SER 8 H SER 8 -5.013 -0.603 -8.135 48 HA SER 8 HA SER 8 -6.509 -2.481 -6.787 49 1HB SER 8 2HB SER 8 -5.304 -2.450 -9.182 50 2HB SER 8 1HB SER 8 -4.177 -3.496 -8.317 51 HG SER 8 HG SER 8 -5.583 -5.024 -8.545 52 H LYS 9 H LYS 9 -5.155 -4.776 -6.387 53 HA LYS 9 HA LYS 9 -4.271 -4.647 -3.782 54 1HB LYS 9 2HB LYS 9 -3.859 -6.641 -5.978 55 2HB LYS 9 1HB LYS 9 -3.031 -6.859 -4.443 56 1HG LYS 9 2HG LYS 9 -4.973 -7.265 -3.293 57 2HG LYS 9 1HG LYS 9 -5.967 -6.366 -4.441 58 1HD LYS 9 2HD LYS 9 -6.251 -8.153 -5.790 59 2HD LYS 9 1HD LYS 9 -4.604 -8.734 -5.536 60 1HE LYS 9 2HE LYS 9 -5.625 -10.365 -4.369 61 2HE LYS 9 1HE LYS 9 -5.660 -9.155 -3.086 62 1HZ LYS 9 1HZ LYS 9 -7.873 -8.879 -3.287 63 2HZ LYS 9 2HZ LYS 9 -7.818 -10.437 -3.944 64 3HZ LYS 9 3HZ LYS 9 -7.877 -9.091 -4.966 65 H CYS 10 H CYS 10 -2.328 -4.439 -2.754 66 HA CYS 10 HA CYS 10 -0.021 -3.716 -4.438 67 1HB CYS 10 2HB CYS 10 -1.213 -2.362 -2.073 68 2HB CYS 10 1HB CYS 10 0.544 -2.365 -2.196 69 H ALA 11 H ALA 11 -1.073 -5.080 -1.346 70 HA ALA 11 HA ALA 11 1.378 -6.699 -1.322 71 1HB ALA 11 1HB ALA 11 0.230 -5.398 1.142 72 2HB ALA 11 2HB ALA 11 1.614 -4.779 0.242 73 3HB ALA 11 3HB ALA 11 1.707 -6.355 1.027 74 H ALA 12 H ALA 12 1.018 -8.801 -0.997 75 HA ALA 12 HA ALA 12 -1.700 -9.642 -0.302 76 1HB ALA 12 1HB ALA 12 -1.089 -10.693 -2.276 77 2HB ALA 12 2HB ALA 12 -0.738 -11.923 -1.062 78 3HB ALA 12 3HB ALA 12 0.571 -10.956 -1.742 79 H ALA 13 H ALA 13 0.229 -8.684 1.700 80 HA ALA 13 HA ALA 13 -0.109 -10.820 3.595 81 1HB ALA 13 1HB ALA 13 2.713 -9.969 3.508 82 2HB ALA 13 2HB ALA 13 2.183 -11.023 2.198 83 3HB ALA 13 3HB ALA 13 2.011 -11.545 3.873 84 H ALA 14 H ALA 14 -0.884 -8.005 3.212 85 HA ALA 14 HA ALA 14 -1.231 -6.161 4.494 86 1HB ALA 14 1HB ALA 14 -1.167 -6.354 6.824 87 2HB ALA 14 2HB ALA 14 0.150 -7.527 6.781 88 3HB ALA 14 3HB ALA 14 -1.468 -7.998 6.261 89 H ASN 15 H ASN 15 1.225 -6.491 2.957 90 HA ASN 15 HA ASN 15 3.320 -5.235 4.499 91 1HB ASN 15 2HB ASN 15 3.452 -6.880 2.405 92 2HB ASN 15 1HB ASN 15 3.446 -5.355 1.524 93 1HD2 ASN 15 1HD2 ASN 15 5.467 -7.580 2.361 94 2HD2 ASN 15 2HD2 ASN 15 6.863 -6.664 2.804 95 H VAL 16 H VAL 16 1.858 -3.418 5.082 96 HA VAL 16 HA VAL 16 0.914 -1.545 3.236 97 HB VAL 16 HB VAL 16 1.844 -0.968 6.050 98 1HG1 VAL 16 1HG1 VAL 16 -0.360 0.584 5.531 99 2HG1 VAL 16 2HG1 VAL 16 0.497 0.599 3.989 100 3HG1 VAL 16 3HG1 VAL 16 1.316 1.124 5.460 101 1HG2 VAL 16 1HG2 VAL 16 0.288 -2.470 6.640 102 2HG2 VAL 16 2HG2 VAL 16 -0.434 -2.496 5.031 103 3HG2 VAL 16 3HG2 VAL 16 -0.873 -1.227 6.174 104 H ALA 17 H ALA 17 4.013 -1.691 4.967 105 HA ALA 17 HA ALA 17 5.067 0.743 4.164 106 1HB ALA 17 1HB ALA 17 5.999 -1.196 5.717 107 2HB ALA 17 2HB ALA 17 7.063 0.008 4.990 108 3HB ALA 17 3HB ALA 17 6.906 -1.588 4.257 109 H ALA 18 H ALA 18 5.122 -2.376 2.484 110 HA ALA 18 HA ALA 18 6.695 -1.534 0.291 111 1HB ALA 18 1HB ALA 18 4.563 -3.641 0.101 112 2HB ALA 18 2HB ALA 18 6.065 -3.922 0.981 113 3HB ALA 18 3HB ALA 18 6.109 -3.554 -0.743 114 H HIS 19 H HIS 19 3.343 -1.232 1.108 115 HA HIS 19 HA HIS 19 2.442 -0.431 -1.489 116 1HB HIS 19 2HB HIS 19 0.669 -1.292 -0.338 117 2HB HIS 19 1HB HIS 19 1.285 -0.765 1.219 118 HD2 HIS 19 2HD HIS 19 0.240 1.523 2.194 119 HE1 HIS 19 1HE HIS 19 -2.199 2.417 -1.125 120 HE2 HIS 19 2HE HIS 19 -1.542 3.114 1.216 121 H MET 20 H MET 20 2.788 1.328 1.612 122 HA MET 20 HA MET 20 2.282 3.857 0.528 123 1HB MET 20 2HB MET 20 2.373 3.140 2.982 124 2HB MET 20 1HB MET 20 4.103 3.425 2.872 125 1HG MET 20 2HG MET 20 3.106 5.721 1.819 126 2HG MET 20 1HG MET 20 1.882 5.322 3.023 127 1HE MET 20 1HE MET 20 3.243 8.052 3.611 128 2HE MET 20 2HE MET 20 3.562 7.782 5.325 129 3HE MET 20 3HE MET 20 2.085 7.155 4.593 130 H THR 21 H THR 21 5.169 1.933 0.517 131 HA THR 21 HA THR 21 7.143 3.827 0.142 132 HB THR 21 HB THR 21 7.223 1.206 0.161 133 HG1 THR 21 1HG THR 21 9.297 1.335 -0.626 134 1HG2 THR 21 1HG2 THR 21 7.728 1.410 -2.738 135 2HG2 THR 21 2HG2 THR 21 6.047 1.294 -2.217 136 3HG2 THR 21 3HG2 THR 21 7.199 0.038 -1.766 137 H HIS 22 H HIS 22 4.544 2.881 -1.911 138 HA HIS 22 HA HIS 22 5.394 4.862 -3.904 139 1HB HIS 22 2HB HIS 22 4.402 3.348 -5.659 140 2HB HIS 22 1HB HIS 22 5.884 2.753 -4.916 141 HD1 HIS 22 1HD HIS 22 5.738 0.328 -4.466 142 HD2 HIS 22 2HD HIS 22 2.066 2.209 -4.012 143 HE1 HIS 22 1HE HIS 22 4.138 -1.479 -3.758 144 HE2 HIS 22 2HE HIS 22 1.961 -0.289 -3.364 145 H CYS 23 H CYS 23 3.005 3.869 -1.746 146 HA CYS 23 HA CYS 23 0.919 5.242 -3.301 147 1HB CYS 23 2HB CYS 23 0.818 2.960 -1.367 148 2HB CYS 23 1HB CYS 23 -0.541 4.069 -1.428 149 H ALA 24 H ALA 24 2.400 7.073 -2.331 150 HA ALA 24 HA ALA 24 1.512 7.776 0.373 151 1HB ALA 24 1HB ALA 24 3.760 8.723 -1.368 152 2HB ALA 24 2HB ALA 24 3.825 8.018 0.247 153 3HB ALA 24 3HB ALA 24 3.229 9.663 0.026 154 H LYS 25 H LYS 25 -0.360 7.901 -1.786 155 HA LYS 25 HA LYS 25 -1.177 10.662 -1.490 156 1HB LYS 25 2HB LYS 25 -1.460 11.073 -3.875 157 2HB LYS 25 1HB LYS 25 0.227 10.734 -3.509 158 1HG LYS 25 2HG LYS 25 -1.416 8.416 -4.293 159 2HG LYS 25 1HG LYS 25 -1.107 9.619 -5.548 160 1HD LYS 25 2HD LYS 25 1.221 8.821 -3.921 161 2HD LYS 25 1HD LYS 25 0.561 7.578 -4.984 162 1HE LYS 25 2HE LYS 25 0.592 9.695 -6.660 163 2HE LYS 25 1HE LYS 25 1.973 10.081 -5.635 164 1HZ LYS 25 1HZ LYS 25 2.131 8.514 -7.769 165 2HZ LYS 25 2HZ LYS 25 1.818 7.341 -6.592 166 3HZ LYS 25 3HZ LYS 25 3.159 8.359 -6.434 Start of MODEL 18 1 1H ALA 1 1HT ALA 1 -1.404 5.033 4.078 2 2H ALA 1 2HT ALA 1 -2.287 4.570 2.680 3 3H ALA 1 3HT ALA 1 -0.663 4.052 2.884 4 HA ALA 1 HA ALA 1 -1.173 2.550 4.469 5 1HB ALA 1 1HB ALA 1 -2.572 4.353 5.694 6 2HB ALA 1 2HB ALA 1 -2.951 2.651 5.952 7 3HB ALA 1 3HB ALA 1 -3.942 3.618 4.860 8 H VAL 2 H VAL 2 -1.630 0.625 3.760 9 HA VAL 2 HA VAL 2 -2.744 0.132 1.265 10 HB VAL 2 HB VAL 2 -1.196 -1.325 2.676 11 1HG1 VAL 2 1HG1 VAL 2 -3.065 -1.361 4.532 12 2HG1 VAL 2 2HG1 VAL 2 -1.995 -2.741 4.284 13 3HG1 VAL 2 3HG1 VAL 2 -3.628 -2.759 3.617 14 1HG2 VAL 2 1HG2 VAL 2 -3.474 -2.396 1.040 15 2HG2 VAL 2 2HG2 VAL 2 -2.212 -3.454 1.673 16 3HG2 VAL 2 3HG2 VAL 2 -1.795 -2.145 0.566 17 H SER 3 H SER 3 -4.288 0.572 4.316 18 HA SER 3 HA SER 3 -6.686 -0.855 3.762 19 1HB SER 3 2HB SER 3 -5.707 0.079 6.031 20 2HB SER 3 1HB SER 3 -6.661 1.500 5.608 21 HG SER 3 HG SER 3 -7.746 -1.113 5.622 22 H ALA 4 H ALA 4 -5.618 2.460 3.258 23 HA ALA 4 HA ALA 4 -8.194 3.085 1.988 24 1HB ALA 4 1HB ALA 4 -7.005 5.471 2.062 25 2HB ALA 4 2HB ALA 4 -6.161 4.703 3.406 26 3HB ALA 4 3HB ALA 4 -7.920 4.821 3.421 27 H CYS 5 H CYS 5 -5.711 1.606 0.903 28 HA CYS 5 HA CYS 5 -4.486 3.173 -1.069 29 1HB CYS 5 2HB CYS 5 -3.590 1.008 -0.427 30 2HB CYS 5 1HB CYS 5 -5.034 0.202 -1.023 31 H ALA 6 H ALA 6 -4.969 3.652 -3.158 32 HA ALA 6 HA ALA 6 -7.754 3.379 -3.932 33 1HB ALA 6 1HB ALA 6 -5.856 4.671 -5.783 34 2HB ALA 6 2HB ALA 6 -6.029 5.429 -4.201 35 3HB ALA 6 3HB ALA 6 -7.443 5.202 -5.229 36 H LEU 7 H LEU 7 -4.595 2.193 -4.885 37 HA LEU 7 HA LEU 7 -5.807 0.695 -7.094 38 1HB LEU 7 2HB LEU 7 -3.551 0.374 -7.905 39 2HB LEU 7 1HB LEU 7 -3.878 2.076 -7.668 40 HG LEU 7 HG LEU 7 -2.717 1.146 -5.270 41 1HD1 LEU 7 1HD1 LEU 7 -1.443 0.016 -7.729 42 2HD1 LEU 7 2HD1 LEU 7 -1.749 -0.758 -6.174 43 3HD1 LEU 7 3HD1 LEU 7 -0.472 0.448 -6.322 44 1HD2 LEU 7 1HD2 LEU 7 -2.344 3.354 -5.887 45 2HD2 LEU 7 2HD2 LEU 7 -1.866 2.918 -7.527 46 3HD2 LEU 7 3HD2 LEU 7 -0.782 2.591 -6.176 47 H SER 8 H SER 8 -6.700 -1.066 -6.098 48 HA SER 8 HA SER 8 -5.848 -2.502 -3.950 49 1HB SER 8 2HB SER 8 -6.933 -3.959 -6.340 50 2HB SER 8 1HB SER 8 -7.281 -4.217 -4.630 51 HG SER 8 HG SER 8 -8.381 -2.410 -6.416 52 H LYS 9 H LYS 9 -4.895 -4.716 -3.869 53 HA LYS 9 HA LYS 9 -3.120 -6.113 -4.120 54 1HB LYS 9 2HB LYS 9 -3.430 -5.212 -6.984 55 2HB LYS 9 1HB LYS 9 -2.281 -6.446 -6.485 56 1HG LYS 9 2HG LYS 9 -5.274 -6.575 -6.177 57 2HG LYS 9 1HG LYS 9 -4.301 -7.456 -7.357 58 1HD LYS 9 2HD LYS 9 -4.444 -9.085 -5.785 59 2HD LYS 9 1HD LYS 9 -3.055 -8.225 -5.119 60 1HE LYS 9 2HE LYS 9 -4.279 -8.213 -3.231 61 2HE LYS 9 1HE LYS 9 -5.086 -6.843 -3.991 62 1HZ LYS 9 1HZ LYS 9 -6.393 -8.943 -3.070 63 2HZ LYS 9 2HZ LYS 9 -6.109 -9.491 -4.644 64 3HZ LYS 9 3HZ LYS 9 -6.942 -8.041 -4.392 65 H CYS 10 H CYS 10 -1.685 -4.985 -2.821 66 HA CYS 10 HA CYS 10 0.418 -3.560 -4.287 67 1HB CYS 10 2HB CYS 10 -1.279 -2.500 -2.111 68 2HB CYS 10 1HB CYS 10 0.445 -2.177 -1.959 69 H ALA 11 H ALA 11 -0.149 -6.218 -2.686 70 HA ALA 11 HA ALA 11 2.461 -6.805 -1.995 71 1HB ALA 11 1HB ALA 11 0.884 -5.617 0.255 72 2HB ALA 11 2HB ALA 11 2.557 -5.320 -0.216 73 3HB ALA 11 3HB ALA 11 2.119 -6.835 0.573 74 H ALA 12 H ALA 12 -0.914 -7.276 -1.077 75 HA ALA 12 HA ALA 12 -2.176 -9.146 -0.789 76 1HB ALA 12 1HB ALA 12 -0.769 -9.628 -3.013 77 2HB ALA 12 2HB ALA 12 -1.903 -10.789 -2.325 78 3HB ALA 12 3HB ALA 12 -0.175 -10.950 -2.009 79 H ALA 13 H ALA 13 -0.113 -8.387 1.183 80 HA ALA 13 HA ALA 13 -0.268 -10.771 2.794 81 1HB ALA 13 1HB ALA 13 1.720 -11.434 1.776 82 2HB ALA 13 2HB ALA 13 2.258 -10.653 3.263 83 3HB ALA 13 3HB ALA 13 2.355 -9.790 1.728 84 H ALA 14 H ALA 14 -1.140 -7.935 2.823 85 HA ALA 14 HA ALA 14 -1.444 -6.270 4.341 86 1HB ALA 14 1HB ALA 14 -0.039 -7.726 6.507 87 2HB ALA 14 2HB ALA 14 -1.467 -8.490 5.808 88 3HB ALA 14 3HB ALA 14 -1.589 -6.883 6.523 89 H ASN 15 H ASN 15 0.998 -6.381 2.752 90 HA ASN 15 HA ASN 15 3.051 -5.272 4.490 91 1HB ASN 15 2HB ASN 15 3.216 -6.796 2.242 92 2HB ASN 15 1HB ASN 15 3.455 -5.189 1.565 93 1HD2 ASN 15 1HD2 ASN 15 4.754 -4.014 3.759 94 2HD2 ASN 15 2HD2 ASN 15 6.319 -4.733 3.907 95 H VAL 16 H VAL 16 1.740 -3.432 5.114 96 HA VAL 16 HA VAL 16 0.801 -1.502 3.304 97 HB VAL 16 HB VAL 16 1.709 -1.013 6.142 98 1HG1 VAL 16 1HG1 VAL 16 -0.433 0.600 5.703 99 2HG1 VAL 16 2HG1 VAL 16 0.334 0.602 4.115 100 3HG1 VAL 16 3HG1 VAL 16 1.251 1.101 5.536 101 1HG2 VAL 16 1HG2 VAL 16 -0.163 -1.964 6.949 102 2HG2 VAL 16 2HG2 VAL 16 -0.152 -2.851 5.424 103 3HG2 VAL 16 3HG2 VAL 16 -1.151 -1.408 5.597 104 H ALA 17 H ALA 17 3.890 -1.765 5.033 105 HA ALA 17 HA ALA 17 4.974 0.687 4.285 106 1HB ALA 17 1HB ALA 17 6.540 -1.869 4.602 107 2HB ALA 17 2HB ALA 17 5.940 -0.909 5.955 108 3HB ALA 17 3HB ALA 17 7.117 -0.219 4.837 109 H ALA 18 H ALA 18 5.001 -2.419 2.589 110 HA ALA 18 HA ALA 18 6.626 -1.587 0.427 111 1HB ALA 18 1HB ALA 18 5.116 -3.520 -0.695 112 2HB ALA 18 2HB ALA 18 4.859 -3.878 1.013 113 3HB ALA 18 3HB ALA 18 6.495 -3.845 0.355 114 H HIS 19 H HIS 19 3.283 -1.203 1.221 115 HA HIS 19 HA HIS 19 2.407 -0.419 -1.390 116 1HB HIS 19 2HB HIS 19 0.609 -1.212 -0.232 117 2HB HIS 19 1HB HIS 19 1.234 -0.677 1.319 118 HD2 HIS 19 2HD HIS 19 0.274 1.680 2.238 119 HE1 HIS 19 1HE HIS 19 -2.140 2.562 -1.106 120 HE2 HIS 19 2HE HIS 19 -1.453 3.304 1.214 121 H MET 20 H MET 20 2.771 1.386 1.686 122 HA MET 20 HA MET 20 2.343 3.908 0.553 123 1HB MET 20 2HB MET 20 2.377 3.260 3.013 124 2HB MET 20 1HB MET 20 4.122 3.435 2.925 125 1HG MET 20 2HG MET 20 4.029 5.696 2.752 126 2HG MET 20 1HG MET 20 2.474 5.678 1.924 127 1HE MET 20 1HE MET 20 1.038 7.426 3.246 128 2HE MET 20 2HE MET 20 0.080 6.668 4.517 129 3HE MET 20 3HE MET 20 0.259 5.870 2.955 130 H THR 21 H THR 21 5.185 1.914 0.621 131 HA THR 21 HA THR 21 7.206 3.753 0.218 132 HB THR 21 HB THR 21 7.220 1.130 0.313 133 HG1 THR 21 1HG THR 21 9.250 1.552 0.175 134 1HG2 THR 21 1HG2 THR 21 7.233 -0.088 -1.593 135 2HG2 THR 21 2HG2 THR 21 7.755 1.269 -2.593 136 3HG2 THR 21 3HG2 THR 21 6.075 1.155 -2.067 137 H HIS 22 H HIS 22 4.607 2.820 -1.838 138 HA HIS 22 HA HIS 22 5.532 4.721 -3.874 139 1HB HIS 22 2HB HIS 22 4.569 3.189 -5.612 140 2HB HIS 22 1HB HIS 22 5.994 2.552 -4.795 141 HD1 HIS 22 1HD HIS 22 5.711 0.134 -4.371 142 HD2 HIS 22 2HD HIS 22 2.141 2.208 -3.949 143 HE1 HIS 22 1HE HIS 22 4.012 -1.581 -3.660 144 HE2 HIS 22 2HE HIS 22 1.905 -0.271 -3.270 145 H CYS 23 H CYS 23 3.089 3.854 -1.724 146 HA CYS 23 HA CYS 23 1.056 5.204 -3.370 147 1HB CYS 23 2HB CYS 23 0.881 2.993 -1.365 148 2HB CYS 23 1HB CYS 23 -0.445 4.141 -1.446 149 H ALA 24 H ALA 24 2.576 7.035 -2.442 150 HA ALA 24 HA ALA 24 1.302 8.017 0.029 151 1HB ALA 24 1HB ALA 24 3.897 7.392 -0.099 152 2HB ALA 24 2HB ALA 24 3.278 8.710 0.896 153 3HB ALA 24 3HB ALA 24 3.980 9.053 -0.686 154 H LYS 25 H LYS 25 -0.208 8.752 -1.813 155 HA LYS 25 HA LYS 25 0.046 11.541 -2.091 156 1HB LYS 25 2HB LYS 25 0.325 11.727 -4.516 157 2HB LYS 25 1HB LYS 25 1.727 10.968 -3.775 158 1HG LYS 25 2HG LYS 25 0.415 8.761 -4.386 159 2HG LYS 25 1HG LYS 25 -0.318 9.820 -5.593 160 1HD LYS 25 2HD LYS 25 2.298 10.460 -5.880 161 2HD LYS 25 1HD LYS 25 2.424 8.762 -5.411 162 1HE LYS 25 2HE LYS 25 0.809 8.200 -7.207 163 2HE LYS 25 1HE LYS 25 0.830 9.889 -7.709 164 1HZ LYS 25 1HZ LYS 25 2.432 9.120 -9.074 165 2HZ LYS 25 2HZ LYS 25 2.843 7.820 -8.073 166 3HZ LYS 25 3HZ LYS 25 3.424 9.370 -7.726 Start of MODEL 19 1 1H ALA 1 1HT ALA 1 -2.335 4.238 2.820 2 2H ALA 1 2HT ALA 1 -0.689 3.762 2.911 3 3H ALA 1 3HT ALA 1 -1.401 4.647 4.198 4 HA ALA 1 HA ALA 1 -1.074 2.165 4.446 5 1HB ALA 1 1HB ALA 1 -3.523 2.119 5.458 6 2HB ALA 1 2HB ALA 1 -3.419 3.850 5.136 7 3HB ALA 1 3HB ALA 1 -2.231 3.076 6.184 8 H VAL 2 H VAL 2 -1.432 0.281 3.604 9 HA VAL 2 HA VAL 2 -2.582 -0.155 1.138 10 HB VAL 2 HB VAL 2 -0.993 -1.625 2.464 11 1HG1 VAL 2 1HG1 VAL 2 -3.548 -2.821 3.525 12 2HG1 VAL 2 2HG1 VAL 2 -2.454 -1.807 4.465 13 3HG1 VAL 2 3HG1 VAL 2 -1.901 -3.363 3.846 14 1HG2 VAL 2 1HG2 VAL 2 -2.029 -3.757 1.440 15 2HG2 VAL 2 2HG2 VAL 2 -1.591 -2.429 0.362 16 3HG2 VAL 2 3HG2 VAL 2 -3.276 -2.670 0.825 17 H SER 3 H SER 3 -4.106 0.039 4.241 18 HA SER 3 HA SER 3 -6.496 -1.360 3.559 19 1HB SER 3 2HB SER 3 -5.649 0.438 5.802 20 2HB SER 3 1HB SER 3 -7.362 0.072 5.593 21 HG SER 3 HG SER 3 -6.724 -2.182 5.625 22 H ALA 4 H ALA 4 -5.369 1.929 3.252 23 HA ALA 4 HA ALA 4 -7.986 2.731 2.172 24 1HB ALA 4 1HB ALA 4 -5.793 4.636 2.920 25 2HB ALA 4 2HB ALA 4 -6.918 4.003 4.120 26 3HB ALA 4 3HB ALA 4 -7.520 4.946 2.757 27 H CYS 5 H CYS 5 -5.525 1.318 0.904 28 HA CYS 5 HA CYS 5 -4.301 2.976 -0.958 29 1HB CYS 5 2HB CYS 5 -3.580 0.676 -0.564 30 2HB CYS 5 1HB CYS 5 -5.081 0.069 -1.251 31 H ALA 6 H ALA 6 -4.788 3.677 -2.998 32 HA ALA 6 HA ALA 6 -7.623 3.652 -3.685 33 1HB ALA 6 1HB ALA 6 -5.368 5.271 -4.861 34 2HB ALA 6 2HB ALA 6 -6.464 5.805 -3.586 35 3HB ALA 6 3HB ALA 6 -7.085 5.475 -5.203 36 H LEU 7 H LEU 7 -4.566 2.424 -4.841 37 HA LEU 7 HA LEU 7 -5.746 1.642 -7.384 38 1HB LEU 7 2HB LEU 7 -3.618 1.312 -8.176 39 2HB LEU 7 1HB LEU 7 -3.374 2.610 -7.031 40 HG LEU 7 HG LEU 7 -2.906 0.424 -5.466 41 1HD1 LEU 7 1HD1 LEU 7 -2.235 -0.262 -8.292 42 2HD1 LEU 7 2HD1 LEU 7 -2.918 -1.276 -7.023 43 3HD1 LEU 7 3HD1 LEU 7 -1.210 -0.839 -6.979 44 1HD2 LEU 7 1HD2 LEU 7 -1.580 2.552 -5.807 45 2HD2 LEU 7 2HD2 LEU 7 -0.781 1.729 -7.147 46 3HD2 LEU 7 3HD2 LEU 7 -0.640 1.091 -5.509 47 H SER 8 H SER 8 -5.030 -0.651 -8.134 48 HA SER 8 HA SER 8 -6.488 -2.530 -6.760 49 1HB SER 8 2HB SER 8 -4.456 -2.620 -8.911 50 2HB SER 8 1HB SER 8 -4.762 -4.139 -8.070 51 HG SER 8 HG SER 8 -6.637 -2.503 -9.427 52 H LYS 9 H LYS 9 -5.233 -4.799 -6.252 53 HA LYS 9 HA LYS 9 -4.282 -4.612 -3.685 54 1HB LYS 9 2HB LYS 9 -3.806 -6.699 -5.804 55 2HB LYS 9 1HB LYS 9 -3.200 -6.884 -4.164 56 1HG LYS 9 2HG LYS 9 -5.307 -7.126 -3.266 57 2HG LYS 9 1HG LYS 9 -6.088 -6.289 -4.610 58 1HD LYS 9 2HD LYS 9 -6.668 -8.472 -5.053 59 2HD LYS 9 1HD LYS 9 -5.187 -8.317 -6.000 60 1HE LYS 9 2HE LYS 9 -3.908 -9.367 -4.231 61 2HE LYS 9 1HE LYS 9 -5.340 -9.441 -3.206 62 1HZ LYS 9 1HZ LYS 9 -4.608 -11.504 -4.573 63 2HZ LYS 9 2HZ LYS 9 -5.397 -10.724 -5.850 64 3HZ LYS 9 3HZ LYS 9 -6.252 -11.122 -4.446 65 H CYS 10 H CYS 10 -2.350 -4.315 -2.699 66 HA CYS 10 HA CYS 10 -0.051 -3.712 -4.442 67 1HB CYS 10 2HB CYS 10 -1.154 -2.333 -2.049 68 2HB CYS 10 1HB CYS 10 0.598 -2.365 -2.223 69 H ALA 11 H ALA 11 -1.088 -5.123 -1.377 70 HA ALA 11 HA ALA 11 1.341 -6.765 -1.392 71 1HB ALA 11 1HB ALA 11 1.725 -4.890 0.156 72 2HB ALA 11 2HB ALA 11 1.687 -6.447 0.985 73 3HB ALA 11 3HB ALA 11 0.293 -5.369 1.068 74 H ALA 12 H ALA 12 0.951 -8.858 -1.030 75 HA ALA 12 HA ALA 12 -1.770 -9.637 -0.277 76 1HB ALA 12 1HB ALA 12 0.420 -10.939 -1.818 77 2HB ALA 12 2HB ALA 12 -1.292 -10.774 -2.208 78 3HB ALA 12 3HB ALA 12 -0.771 -11.956 -1.007 79 H ALA 13 H ALA 13 0.204 -8.698 1.683 80 HA ALA 13 HA ALA 13 -0.125 -10.824 3.595 81 1HB ALA 13 1HB ALA 13 2.006 -11.532 3.873 82 2HB ALA 13 2HB ALA 13 2.699 -9.970 3.437 83 3HB ALA 13 3HB ALA 13 2.135 -11.066 2.177 84 H ALA 14 H ALA 14 -0.899 -8.007 3.207 85 HA ALA 14 HA ALA 14 -1.226 -6.156 4.484 86 1HB ALA 14 1HB ALA 14 -1.798 -7.149 6.429 87 2HB ALA 14 2HB ALA 14 -0.245 -6.508 6.965 88 3HB ALA 14 3HB ALA 14 -0.374 -8.188 6.445 89 H ASN 15 H ASN 15 1.213 -6.500 2.924 90 HA ASN 15 HA ASN 15 3.331 -5.252 4.437 91 1HB ASN 15 2HB ASN 15 3.324 -6.853 2.236 92 2HB ASN 15 1HB ASN 15 3.524 -5.272 1.490 93 1HD2 ASN 15 1HD2 ASN 15 4.986 -4.037 3.543 94 2HD2 ASN 15 2HD2 ASN 15 6.552 -4.765 3.603 95 H VAL 16 H VAL 16 1.879 -3.437 5.048 96 HA VAL 16 HA VAL 16 0.927 -1.549 3.214 97 HB VAL 16 HB VAL 16 1.850 -0.996 6.036 98 1HG1 VAL 16 1HG1 VAL 16 -0.356 0.555 5.527 99 2HG1 VAL 16 2HG1 VAL 16 0.501 0.583 3.986 100 3HG1 VAL 16 3HG1 VAL 16 1.319 1.099 5.461 101 1HG2 VAL 16 1HG2 VAL 16 0.301 -2.515 6.604 102 2HG2 VAL 16 2HG2 VAL 16 -0.428 -2.514 4.998 103 3HG2 VAL 16 3HG2 VAL 16 -0.861 -1.263 6.163 104 H ALA 17 H ALA 17 4.023 -1.712 4.950 105 HA ALA 17 HA ALA 17 5.076 0.733 4.174 106 1HB ALA 17 1HB ALA 17 6.446 -1.895 4.709 107 2HB ALA 17 2HB ALA 17 6.229 -0.541 5.816 108 3HB ALA 17 3HB ALA 17 7.317 -0.386 4.438 109 H ALA 18 H ALA 18 5.139 -2.369 2.462 110 HA ALA 18 HA ALA 18 6.718 -1.498 0.284 111 1HB ALA 18 1HB ALA 18 4.655 -3.549 -0.240 112 2HB ALA 18 2HB ALA 18 5.797 -3.905 1.056 113 3HB ALA 18 3HB ALA 18 6.387 -3.570 -0.572 114 H HIS 19 H HIS 19 3.361 -1.226 1.093 115 HA HIS 19 HA HIS 19 2.462 -0.405 -1.498 116 1HB HIS 19 2HB HIS 19 0.691 -1.282 -0.356 117 2HB HIS 19 1HB HIS 19 1.302 -0.766 1.205 118 HD2 HIS 19 2HD HIS 19 0.255 1.517 2.194 119 HE1 HIS 19 1HE HIS 19 -2.191 2.418 -1.118 120 HE2 HIS 19 2HE HIS 19 -1.533 3.108 1.225 121 H MET 20 H MET 20 2.799 1.328 1.619 122 HA MET 20 HA MET 20 2.275 3.863 0.558 123 1HB MET 20 2HB MET 20 2.370 3.127 3.005 124 2HB MET 20 1HB MET 20 4.099 3.423 2.898 125 1HG MET 20 2HG MET 20 3.849 5.675 2.786 126 2HG MET 20 1HG MET 20 2.287 5.571 1.978 127 1HE MET 20 1HE MET 20 0.890 7.457 3.805 128 2HE MET 20 2HE MET 20 -0.181 6.231 4.482 129 3HE MET 20 3HE MET 20 0.364 6.099 2.810 130 H THR 21 H THR 21 5.177 1.961 0.539 131 HA THR 21 HA THR 21 7.136 3.876 0.176 132 HB THR 21 HB THR 21 7.236 1.254 0.185 133 HG1 THR 21 1HG THR 21 9.014 2.699 -1.476 134 1HG2 THR 21 1HG2 THR 21 7.786 1.438 -2.696 135 2HG2 THR 21 2HG2 THR 21 6.087 1.387 -2.227 136 3HG2 THR 21 3HG2 THR 21 7.177 0.092 -1.733 137 H HIS 22 H HIS 22 4.547 2.925 -1.884 138 HA HIS 22 HA HIS 22 5.390 4.919 -3.867 139 1HB HIS 22 2HB HIS 22 4.431 3.404 -5.635 140 2HB HIS 22 1HB HIS 22 5.907 2.811 -4.876 141 HD1 HIS 22 1HD HIS 22 5.761 0.381 -4.458 142 HD2 HIS 22 2HD HIS 22 2.084 2.251 -4.000 143 HE1 HIS 22 1HE HIS 22 4.161 -1.434 -3.770 144 HE2 HIS 22 2HE HIS 22 1.981 -0.251 -3.373 145 H CYS 23 H CYS 23 2.999 3.921 -1.717 146 HA CYS 23 HA CYS 23 0.910 5.255 -3.304 147 1HB CYS 23 2HB CYS 23 0.820 2.988 -1.354 148 2HB CYS 23 1HB CYS 23 -0.548 4.087 -1.418 149 H ALA 24 H ALA 24 0.620 7.290 -2.718 150 HA ALA 24 HA ALA 24 0.120 7.976 0.026 151 1HB ALA 24 1HB ALA 24 2.710 8.024 -0.461 152 2HB ALA 24 2HB ALA 24 1.941 9.264 0.529 153 3HB ALA 24 3HB ALA 24 2.316 9.593 -1.162 154 H LYS 25 H LYS 25 -1.386 8.065 -2.379 155 HA LYS 25 HA LYS 25 -2.129 10.871 -2.341 156 1HB LYS 25 2HB LYS 25 -2.104 11.118 -4.766 157 2HB LYS 25 1HB LYS 25 -0.492 10.748 -4.171 158 1HG LYS 25 2HG LYS 25 -2.177 8.473 -5.040 159 2HG LYS 25 1HG LYS 25 -1.541 9.547 -6.288 160 1HD LYS 25 2HD LYS 25 0.400 8.718 -4.237 161 2HD LYS 25 1HD LYS 25 -0.202 7.421 -5.272 162 1HE LYS 25 2HE LYS 25 0.292 9.331 -7.115 163 2HE LYS 25 1HE LYS 25 1.527 9.717 -5.917 164 1HZ LYS 25 1HZ LYS 25 2.494 8.194 -7.402 165 2HZ LYS 25 2HZ LYS 25 1.149 7.169 -7.378 166 3HZ LYS 25 3HZ LYS 25 2.139 7.296 -6.012 Start of MODEL 20 1 1H ALA 1 1HT ALA 1 -2.293 4.573 2.664 2 2H ALA 1 2HT ALA 1 -0.668 4.064 2.874 3 3H ALA 1 3HT ALA 1 -1.422 5.045 4.062 4 HA ALA 1 HA ALA 1 -1.174 2.563 4.459 5 1HB ALA 1 1HB ALA 1 -2.358 3.565 6.116 6 2HB ALA 1 2HB ALA 1 -3.685 2.683 5.359 7 3HB ALA 1 3HB ALA 1 -3.441 4.392 4.997 8 H VAL 2 H VAL 2 -1.624 0.634 3.758 9 HA VAL 2 HA VAL 2 -2.732 0.129 1.262 10 HB VAL 2 HB VAL 2 -1.180 -1.318 2.676 11 1HG1 VAL 2 1HG1 VAL 2 -3.677 -2.653 3.650 12 2HG1 VAL 2 2HG1 VAL 2 -2.926 -1.357 4.581 13 3HG1 VAL 2 3HG1 VAL 2 -2.019 -2.827 4.225 14 1HG2 VAL 2 1HG2 VAL 2 -2.205 -3.457 1.688 15 2HG2 VAL 2 2HG2 VAL 2 -1.769 -2.158 0.577 16 3HG2 VAL 2 3HG2 VAL 2 -3.454 -2.393 1.040 17 H SER 3 H SER 3 -4.283 0.574 4.310 18 HA SER 3 HA SER 3 -6.675 -0.864 3.754 19 1HB SER 3 2HB SER 3 -5.766 1.076 5.818 20 2HB SER 3 1HB SER 3 -7.507 0.909 5.586 21 HG SER 3 HG SER 3 -7.095 -1.424 5.800 22 H ALA 4 H ALA 4 -5.611 2.451 3.244 23 HA ALA 4 HA ALA 4 -8.189 3.070 1.973 24 1HB ALA 4 1HB ALA 4 -6.020 4.882 3.017 25 2HB ALA 4 2HB ALA 4 -7.629 4.635 3.695 26 3HB ALA 4 3HB ALA 4 -7.442 5.442 2.138 27 H CYS 5 H CYS 5 -5.701 1.598 0.891 28 HA CYS 5 HA CYS 5 -4.474 3.166 -1.077 29 1HB CYS 5 2HB CYS 5 -3.578 1.001 -0.437 30 2HB CYS 5 1HB CYS 5 -5.022 0.194 -1.033 31 H ALA 6 H ALA 6 -4.960 3.658 -3.160 32 HA ALA 6 HA ALA 6 -7.740 3.392 -3.941 33 1HB ALA 6 1HB ALA 6 -5.448 5.068 -4.773 34 2HB ALA 6 2HB ALA 6 -7.133 5.507 -4.488 35 3HB ALA 6 3HB ALA 6 -6.669 4.721 -5.997 36 H LEU 7 H LEU 7 -4.589 2.184 -4.892 37 HA LEU 7 HA LEU 7 -5.814 0.679 -7.090 38 1HB LEU 7 2HB LEU 7 -3.560 0.347 -7.909 39 2HB LEU 7 1HB LEU 7 -3.884 2.050 -7.682 40 HG LEU 7 HG LEU 7 -2.714 1.133 -5.282 41 1HD1 LEU 7 1HD1 LEU 7 -1.861 -0.813 -6.382 42 2HD1 LEU 7 2HD1 LEU 7 -0.531 0.321 -6.150 43 3HD1 LEU 7 3HD1 LEU 7 -1.278 0.151 -7.738 44 1HD2 LEU 7 1HD2 LEU 7 -1.873 2.897 -7.549 45 2HD2 LEU 7 2HD2 LEU 7 -0.787 2.579 -6.197 46 3HD2 LEU 7 3HD2 LEU 7 -2.352 3.340 -5.910 47 H SER 8 H SER 8 -6.715 -1.062 -6.061 48 HA SER 8 HA SER 8 -5.836 -2.491 -3.915 49 1HB SER 8 2HB SER 8 -7.097 -3.733 -6.367 50 2HB SER 8 1HB SER 8 -7.161 -4.350 -4.716 51 HG SER 8 HG SER 8 -8.582 -2.828 -4.180 52 H LYS 9 H LYS 9 -4.891 -4.700 -3.823 53 HA LYS 9 HA LYS 9 -3.145 -6.126 -4.110 54 1HB LYS 9 2HB LYS 9 -3.336 -5.220 -6.988 55 2HB LYS 9 1HB LYS 9 -2.409 -6.602 -6.422 56 1HG LYS 9 2HG LYS 9 -5.398 -6.275 -6.294 57 2HG LYS 9 1HG LYS 9 -4.495 -7.343 -7.369 58 1HD LYS 9 2HD LYS 9 -4.921 -8.883 -5.779 59 2HD LYS 9 1HD LYS 9 -3.541 -8.139 -4.970 60 1HE LYS 9 2HE LYS 9 -4.966 -6.790 -3.616 61 2HE LYS 9 1HE LYS 9 -6.388 -7.251 -4.553 62 1HZ LYS 9 1HZ LYS 9 -5.716 -9.626 -3.785 63 2HZ LYS 9 2HZ LYS 9 -6.570 -8.609 -2.735 64 3HZ LYS 9 3HZ LYS 9 -4.899 -8.803 -2.552 65 H CYS 10 H CYS 10 -1.719 -4.943 -2.818 66 HA CYS 10 HA CYS 10 0.385 -3.558 -4.329 67 1HB CYS 10 2HB CYS 10 -1.274 -2.493 -2.132 68 2HB CYS 10 1HB CYS 10 0.455 -2.194 -1.982 69 H ALA 11 H ALA 11 -0.210 -6.197 -2.645 70 HA ALA 11 HA ALA 11 2.431 -6.803 -2.036 71 1HB ALA 11 1HB ALA 11 1.460 -5.044 -0.144 72 2HB ALA 11 2HB ALA 11 2.859 -6.102 0.039 73 3HB ALA 11 3HB ALA 11 1.280 -6.620 0.627 74 H ALA 12 H ALA 12 -0.930 -7.267 -1.070 75 HA ALA 12 HA ALA 12 -2.193 -9.135 -0.768 76 1HB ALA 12 1HB ALA 12 -0.830 -9.619 -3.011 77 2HB ALA 12 2HB ALA 12 -1.937 -10.792 -2.297 78 3HB ALA 12 3HB ALA 12 -0.201 -10.934 -2.018 79 H ALA 13 H ALA 13 -0.114 -8.380 1.183 80 HA ALA 13 HA ALA 13 -0.243 -10.773 2.788 81 1HB ALA 13 1HB ALA 13 1.973 -11.320 2.938 82 2HB ALA 13 2HB ALA 13 2.517 -9.699 2.509 83 3HB ALA 13 3HB ALA 13 1.903 -10.782 1.260 84 H ALA 14 H ALA 14 -1.138 -7.940 2.830 85 HA ALA 14 HA ALA 14 -1.443 -6.280 4.352 86 1HB ALA 14 1HB ALA 14 -1.656 -6.943 6.499 87 2HB ALA 14 2HB ALA 14 -0.051 -7.672 6.545 88 3HB ALA 14 3HB ALA 14 -1.394 -8.545 5.808 89 H ASN 15 H ASN 15 1.003 -6.382 2.769 90 HA ASN 15 HA ASN 15 3.043 -5.267 4.520 91 1HB ASN 15 2HB ASN 15 3.023 -6.580 1.968 92 2HB ASN 15 1HB ASN 15 3.817 -5.017 1.805 93 1HD2 ASN 15 1HD2 ASN 15 5.661 -4.581 3.070 94 2HD2 ASN 15 2HD2 ASN 15 6.614 -5.863 3.728 95 H VAL 16 H VAL 16 1.751 -3.416 5.131 96 HA VAL 16 HA VAL 16 0.808 -1.502 3.303 97 HB VAL 16 HB VAL 16 1.715 -0.989 6.137 98 1HG1 VAL 16 1HG1 VAL 16 -0.436 0.613 5.677 99 2HG1 VAL 16 2HG1 VAL 16 0.343 0.607 4.094 100 3HG1 VAL 16 3HG1 VAL 16 1.247 1.119 5.520 101 1HG2 VAL 16 1HG2 VAL 16 -0.146 -1.949 6.951 102 2HG2 VAL 16 2HG2 VAL 16 -0.150 -2.832 5.425 103 3HG2 VAL 16 3HG2 VAL 16 -1.145 -1.388 5.611 104 H ALA 17 H ALA 17 3.893 -1.756 5.037 105 HA ALA 17 HA ALA 17 4.984 0.689 4.280 106 1HB ALA 17 1HB ALA 17 6.644 -1.804 4.511 107 2HB ALA 17 2HB ALA 17 5.904 -1.049 5.924 108 3HB ALA 17 3HB ALA 17 7.068 -0.149 4.950 109 H ALA 18 H ALA 18 5.007 -2.423 2.592 110 HA ALA 18 HA ALA 18 6.631 -1.600 0.427 111 1HB ALA 18 1HB ALA 18 4.473 -3.699 0.293 112 2HB ALA 18 2HB ALA 18 6.039 -3.976 1.056 113 3HB ALA 18 3HB ALA 18 5.951 -3.595 -0.664 114 H HIS 19 H HIS 19 3.292 -1.199 1.221 115 HA HIS 19 HA HIS 19 2.422 -0.415 -1.394 116 1HB HIS 19 2HB HIS 19 0.620 -1.213 -0.247 117 2HB HIS 19 1HB HIS 19 1.238 -0.684 1.309 118 HD2 HIS 19 2HD HIS 19 0.279 1.672 2.231 119 HE1 HIS 19 1HE HIS 19 -2.132 2.560 -1.112 120 HE2 HIS 19 2HE HIS 19 -1.448 3.297 1.209 121 H MET 20 H MET 20 2.774 1.380 1.688 122 HA MET 20 HA MET 20 2.342 3.904 0.567 123 1HB MET 20 2HB MET 20 2.372 3.250 3.023 124 2HB MET 20 1HB MET 20 4.119 3.421 2.939 125 1HG MET 20 2HG MET 20 3.304 5.764 1.846 126 2HG MET 20 1HG MET 20 2.020 5.461 3.016 127 1HE MET 20 1HE MET 20 2.906 7.886 4.042 128 2HE MET 20 2HE MET 20 3.605 7.572 5.630 129 3HE MET 20 3HE MET 20 2.156 6.708 5.118 130 H THR 21 H THR 21 5.193 1.922 0.635 131 HA THR 21 HA THR 21 7.206 3.770 0.238 132 HB THR 21 HB THR 21 7.228 1.146 0.325 133 HG1 THR 21 1HG THR 21 9.193 1.926 0.354 134 1HG2 THR 21 1HG2 THR 21 7.158 -0.067 -1.557 135 2HG2 THR 21 2HG2 THR 21 7.841 1.223 -2.546 136 3HG2 THR 21 3HG2 THR 21 6.130 1.252 -2.117 137 H HIS 22 H HIS 22 4.613 2.835 -1.824 138 HA HIS 22 HA HIS 22 5.538 4.743 -3.854 139 1HB HIS 22 2HB HIS 22 4.593 3.210 -5.600 140 2HB HIS 22 1HB HIS 22 6.013 2.574 -4.774 141 HD1 HIS 22 1HD HIS 22 5.726 0.152 -4.372 142 HD2 HIS 22 2HD HIS 22 2.157 2.228 -3.941 143 HE1 HIS 22 1HE HIS 22 4.026 -1.565 -3.670 144 HE2 HIS 22 2HE HIS 22 1.920 -0.255 -3.274 145 H CYS 23 H CYS 23 3.092 3.875 -1.711 146 HA CYS 23 HA CYS 23 1.059 5.207 -3.375 147 1HB CYS 23 2HB CYS 23 0.886 3.003 -1.364 148 2HB CYS 23 1HB CYS 23 -0.442 4.149 -1.447 149 H ALA 24 H ALA 24 0.765 7.260 -2.861 150 HA ALA 24 HA ALA 24 0.279 8.057 -0.146 151 1HB ALA 24 1HB ALA 24 2.767 8.051 -0.270 152 2HB ALA 24 2HB ALA 24 2.070 9.629 0.101 153 3HB ALA 24 3HB ALA 24 2.661 9.286 -1.525 154 H LYS 25 H LYS 25 -1.211 8.084 -2.567 155 HA LYS 25 HA LYS 25 -1.919 10.896 -2.625 156 1HB LYS 25 2HB LYS 25 -1.901 11.018 -5.086 157 2HB LYS 25 1HB LYS 25 -0.290 10.773 -4.426 158 1HG LYS 25 2HG LYS 25 -1.809 8.354 -5.195 159 2HG LYS 25 1HG LYS 25 -1.226 9.394 -6.496 160 1HD LYS 25 2HD LYS 25 0.732 8.817 -4.377 161 2HD LYS 25 1HD LYS 25 0.234 7.425 -5.341 162 1HE LYS 25 2HE LYS 25 0.849 9.870 -6.862 163 2HE LYS 25 1HE LYS 25 2.218 9.126 -6.036 164 1HZ LYS 25 1HZ LYS 25 1.873 8.311 -8.327 165 2HZ LYS 25 2HZ LYS 25 0.380 7.670 -7.856 166 3HZ LYS 25 3HZ LYS 25 1.807 7.078 -7.170
Contact the webmaster for help, if required. Thursday, May 23, 2024 7:07:12 PM GMT (wattos1)