NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
538136 | 2lj9 | 17926 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 57 1H SER 57 -11.848 -0.940 3.685 2 HA SER 57 HA SER 57 -12.539 1.305 5.440 3 HB3 SER 57 HB2 SER 57 -9.788 1.381 4.960 4 HG SER 57 HG SER 57 -11.328 0.640 7.220 5 H ASP 58 H ASP 58 -10.972 3.143 4.507 6 HA ASP 58 HA ASP 58 -11.971 3.789 1.957 7 HB3 ASP 58 HB2 ASP 58 -9.531 5.223 2.583 8 HA PRO 59 HA PRO 59 -9.372 1.991 -1.090 9 HB3 PRO 59 HB2 PRO 59 -9.080 3.445 -2.853 10 HG3 PRO 59 HG2 PRO 59 -11.306 3.798 -2.280 11 HD3 PRO 59 2HD PRO 59 -11.934 4.282 -0.119 12 H LEU 60 H LEU 60 -8.081 4.001 1.280 13 HA LEU 60 HA LEU 60 -5.343 3.959 0.608 14 HB3 LEU 60 HB2 LEU 60 -6.721 4.243 3.275 15 HG LEU 60 HG LEU 60 -4.192 3.609 3.332 16 HD11 LEU 60 1HD1 LEU 60 -3.688 5.310 1.518 17 HD12 LEU 60 2HD1 LEU 60 -2.647 5.337 2.941 18 HD13 LEU 60 3HD1 LEU 60 -3.919 6.545 2.756 19 HD21 LEU 60 3HD2 LEU 60 -4.607 6.122 4.809 20 HD22 LEU 60 1HD2 LEU 60 -4.153 4.521 5.392 21 HD23 LEU 60 2HD2 LEU 60 -5.843 4.884 5.040 22 H GLU 61 H GLU 61 -7.341 1.816 2.599 23 HA GLU 61 HA GLU 61 -5.216 0.167 3.468 24 HB3 GLU 61 HB2 GLU 61 -8.096 -0.671 3.185 25 HG3 GLU 61 HG2 GLU 61 -5.832 -1.546 4.933 26 H GLU 62 H GLU 62 -7.676 -0.351 0.963 27 HA GLU 62 HA GLU 62 -6.701 -2.787 0.019 28 HB3 GLU 62 HB2 GLU 62 -7.789 -2.042 -2.187 29 HG3 GLU 62 HG2 GLU 62 -9.567 -1.901 0.237 30 H TYR 63 H TYR 63 -5.606 0.474 -0.532 31 HA TYR 63 HA TYR 63 -4.123 0.006 -2.884 32 HB3 TYR 63 HB2 TYR 63 -2.652 1.877 -1.510 33 HD1 TYR 63 1HD TYR 63 -6.042 1.753 -3.093 34 HD2 TYR 63 2HD TYR 63 -2.165 3.494 -3.045 35 HE1 TYR 63 1HE TYR 63 -6.604 3.047 -5.104 36 HE2 TYR 63 2HE TYR 63 -2.710 4.791 -5.049 37 HH TYR 63 HH TYR 63 -4.241 4.759 -6.911 38 H CYS 64 H CYS 64 -2.928 0.336 0.464 39 HA CYS 64 HA CYS 64 -0.390 -0.550 -0.111 40 HB3 CYS 64 HB2 CYS 64 -0.513 -1.382 2.436 41 H LYS 65 H LYS 65 -3.273 -2.323 -0.141 42 HA LYS 65 HA LYS 65 -1.977 -4.888 0.240 43 HB3 LYS 65 HB2 LYS 65 -4.782 -4.099 -0.574 44 HG3 LYS 65 HG2 LYS 65 -4.151 -6.876 0.265 45 HD3 LYS 65 HD2 LYS 65 -6.473 -6.125 0.033 46 HE3 LYS 65 2HE LYS 65 -5.492 -4.821 -2.271 47 HZ1 LYS 65 3HZ LYS 65 -7.268 -5.565 -3.844 48 HZ2 LYS 65 1HZ LYS 65 -7.480 -6.936 -2.875 49 HZ3 LYS 65 2HZ LYS 65 -5.997 -6.662 -3.641 50 H ASP 66 H ASP 66 -3.275 -2.862 -2.368 51 HA ASP 66 HA ASP 66 -2.345 -4.749 -4.397 52 HB3 ASP 66 HB2 ASP 66 -3.634 -3.244 -5.927 53 H ASN 67 H ASN 67 -0.825 -2.219 -2.883 54 HA ASN 67 HA ASN 67 0.220 -1.005 -5.276 55 HB3 ASN 67 HB2 ASN 67 1.385 0.466 -3.535 56 HD21 ASN 67 1HD2 ASN 67 -1.986 -0.371 -3.386 57 HD22 ASN 67 2HD2 ASN 67 -2.573 1.077 -4.095 58 HA PRO 68 HA PRO 68 3.554 -4.130 -5.151 59 HB3 PRO 68 HB2 PRO 68 3.834 -4.406 -7.375 60 HG3 PRO 68 HG2 PRO 68 1.920 -3.784 -8.387 61 HD3 PRO 68 HD2 PRO 68 0.662 -3.582 -6.489 62 H GLU 69 H GLU 69 3.420 -0.663 -5.402 63 HA GLU 69 HA GLU 69 6.209 -0.432 -4.490 64 HB3 GLU 69 HB2 GLU 69 5.795 0.830 -6.513 65 HG3 GLU 69 HG2 GLU 69 4.054 2.877 -5.525 66 H THR 70 H THR 70 2.881 0.325 -3.773 67 HA THR 70 HA THR 70 3.661 1.440 -1.151 68 HB THR 70 HB THR 70 0.866 1.859 -1.881 69 HG1 THR 70 1HG THR 70 1.087 2.868 -3.716 70 HG21 THR 70 3HG2 THR 70 2.596 4.194 -1.664 71 HG22 THR 70 1HG2 THR 70 2.681 3.108 -0.277 72 HG23 THR 70 2HG2 THR 70 1.128 3.775 -0.781 73 H ASN 71 H ASN 71 2.674 -1.357 -2.479 74 HA ASN 71 HA ASN 71 0.940 -2.094 -0.264 75 HB3 ASN 71 HB2 ASN 71 1.142 -3.117 -2.892 76 HD21 ASN 71 1HD2 ASN 71 3.640 -3.752 -2.273 77 HD22 ASN 71 2HD2 ASN 71 3.834 -5.466 -2.150 78 H GLU 72 H GLU 72 4.000 -1.673 -1.240 79 HA GLU 72 HA GLU 72 5.250 -3.531 0.676 80 HB3 GLU 72 HB2 GLU 72 7.253 -3.244 -0.439 81 HG3 GLU 72 HG2 GLU 72 6.865 -2.700 -2.917 82 H CYS 73 H CYS 73 3.712 -0.739 0.494 83 HA CYS 73 HA CYS 73 5.162 1.251 1.453 84 HB3 CYS 73 HB2 CYS 73 2.730 1.379 0.915 85 H ARG 74 H ARG 74 3.989 -1.508 3.127 86 HA ARG 74 HA ARG 74 4.438 -0.645 5.799 87 HB3 ARG 74 HB2 ARG 74 4.248 -3.428 4.635 88 HG3 ARG 74 HG2 ARG 74 4.781 -2.551 7.359 89 HD3 ARG 74 HD2 ARG 74 2.475 -4.420 6.821 90 HE ARG 74 HE ARG 74 3.215 -5.348 8.777 91 HH11 ARG 74 1HH1 ARG 74 3.529 -1.878 8.987 92 HH12 ARG 74 2HH1 ARG 74 3.964 -1.894 10.663 93 HH21 ARG 74 1HH2 ARG 74 3.784 -5.371 10.980 94 HH22 ARG 74 2HH2 ARG 74 4.109 -3.878 11.795 95 H THR 75 H THR 75 6.422 -2.251 3.393 96 HA THR 75 HA THR 75 8.618 -2.549 5.292 97 HB THR 75 HB THR 75 8.960 -3.266 2.429 98 HG1 THR 75 1HG THR 75 7.146 -4.542 4.177 99 HG21 THR 75 3HG2 THR 75 10.266 -4.994 3.195 100 HG22 THR 75 1HG2 THR 75 9.452 -5.058 4.757 101 HG23 THR 75 2HG2 THR 75 10.569 -3.742 4.399 102 H TYR 76 H TYR 76 8.326 -1.333 1.947 103 HA TYR 76 HA TYR 76 10.575 0.458 2.427 104 HB3 TYR 76 HB2 TYR 76 9.031 -0.016 -0.130 105 HD1 TYR 76 1HD TYR 76 12.590 0.534 0.855 106 HD2 TYR 76 2HD TYR 76 9.286 1.849 -1.481 107 HE1 TYR 76 1HE TYR 76 14.025 2.221 -0.213 108 HE2 TYR 76 2HE TYR 76 10.712 3.540 -2.556 109 HH TYR 76 HH TYR 76 13.320 3.744 -2.989 110 H ASP 77 H ASP 77 10.390 2.686 1.441 111 HA ASP 77 HA ASP 77 7.873 3.889 2.354 112 HB3 ASP 77 HB2 ASP 77 9.917 5.837 1.809 113 H ASN 78 H ASN 78 6.677 5.234 1.068 114 HA ASN 78 HA ASN 78 7.644 5.811 -1.633 115 HB3 ASN 78 HB2 ASN 78 4.827 5.031 -1.629 116 HD21 ASN 78 1HD2 ASN 78 7.775 3.343 -2.603 117 HD22 ASN 78 2HD2 ASN 78 7.528 3.525 -4.303 Start of MODEL 2 1 H SER 57 1H SER 57 -12.681 -0.516 5.437 2 HA SER 57 HA SER 57 -11.366 0.329 7.387 3 HB3 SER 57 HB2 SER 57 -8.818 -0.146 6.301 4 HG SER 57 HG SER 57 -9.530 -0.020 8.556 5 H ASP 58 H ASP 58 -9.368 1.883 6.742 6 HA ASP 58 HA ASP 58 -10.409 3.730 4.900 7 HB3 ASP 58 HB2 ASP 58 -7.546 4.025 5.256 8 HA PRO 59 HA PRO 59 -9.138 2.623 0.845 9 HB3 PRO 59 HB2 PRO 59 -8.581 4.504 -0.362 10 HG3 PRO 59 HG2 PRO 59 -10.414 5.228 0.874 11 HD3 PRO 59 2HD PRO 59 -10.504 4.972 3.160 12 H LEU 60 H LEU 60 -6.864 3.074 3.289 13 HA LEU 60 HA LEU 60 -4.442 2.574 2.001 14 HB3 LEU 60 HB2 LEU 60 -5.323 1.858 4.796 15 HG LEU 60 HG LEU 60 -3.171 0.697 3.934 16 HD11 LEU 60 1HD1 LEU 60 -2.501 3.149 3.070 17 HD12 LEU 60 2HD1 LEU 60 -1.321 1.911 3.500 18 HD13 LEU 60 3HD1 LEU 60 -1.741 3.170 4.661 19 HD21 LEU 60 3HD2 LEU 60 -3.585 2.235 6.449 20 HD22 LEU 60 1HD2 LEU 60 -2.019 1.472 6.167 21 HD23 LEU 60 2HD2 LEU 60 -3.484 0.493 6.193 22 H GLU 61 H GLU 61 -7.011 0.416 2.970 23 HA GLU 61 HA GLU 61 -5.587 -2.003 2.844 24 HB3 GLU 61 HB2 GLU 61 -8.381 -2.164 1.978 25 HG3 GLU 61 HG2 GLU 61 -7.346 -3.129 4.601 26 H GLU 62 H GLU 62 -7.655 -0.459 0.418 27 HA GLU 62 HA GLU 62 -7.096 -2.295 -1.641 28 HB3 GLU 62 HB2 GLU 62 -7.832 -0.415 -3.167 29 HG3 GLU 62 HG2 GLU 62 -9.365 -2.108 -1.807 30 H TYR 63 H TYR 63 -5.401 0.429 -0.395 31 HA TYR 63 HA TYR 63 -3.835 1.025 -2.620 32 HB3 TYR 63 HB2 TYR 63 -2.159 1.576 -0.560 33 HD1 TYR 63 1HD TYR 63 -2.473 2.609 -3.094 34 HD2 TYR 63 2HD TYR 63 -4.550 3.774 0.420 35 HE1 TYR 63 1HE TYR 63 -2.911 4.780 -4.097 36 HE2 TYR 63 2HE TYR 63 -4.999 5.971 -0.570 37 HH TYR 63 HH TYR 63 -4.143 7.437 -2.288 38 H CYS 64 H CYS 64 -2.852 -0.942 0.220 39 HA CYS 64 HA CYS 64 -0.533 -1.820 -1.091 40 HB3 CYS 64 HB2 CYS 64 -0.877 -3.859 0.632 41 H LYS 65 H LYS 65 -3.830 -2.662 -1.458 42 HA LYS 65 HA LYS 65 -3.482 -5.288 -2.500 43 HB3 LYS 65 HB2 LYS 65 -5.689 -3.284 -3.035 44 HG3 LYS 65 HG2 LYS 65 -6.365 -6.116 -3.070 45 HD3 LYS 65 2HD LYS 65 -7.923 -4.333 -3.693 46 HE3 LYS 65 2HE LYS 65 -5.731 -3.275 -5.068 47 HZ1 LYS 65 3HZ LYS 65 -6.870 -4.846 -6.884 48 HZ2 LYS 65 1HZ LYS 65 -6.124 -3.376 -7.267 49 HZ3 LYS 65 2HZ LYS 65 -7.805 -3.452 -7.093 50 H ASP 66 H ASP 66 -3.551 -2.026 -3.878 51 HA ASP 66 HA ASP 66 -3.035 -3.040 -6.559 52 HB3 ASP 66 HB2 ASP 66 -2.655 -0.161 -6.089 53 H ASN 67 H ASN 67 -1.342 -1.501 -3.900 54 HA ASN 67 HA ASN 67 1.232 -1.934 -5.251 55 HB3 ASN 67 HB2 ASN 67 2.010 0.057 -4.381 56 HD21 ASN 67 1HD2 ASN 67 -1.376 0.447 -3.646 57 HD22 ASN 67 2HD2 ASN 67 -1.702 1.570 -4.907 58 HA PRO 68 HA PRO 68 0.780 -4.432 -1.372 59 HB3 PRO 68 HB2 PRO 68 -0.263 -6.115 -2.529 60 HG3 PRO 68 HG2 PRO 68 0.195 -6.508 -4.770 61 HD3 PRO 68 2HD PRO 68 -0.201 -4.264 -4.953 62 H GLU 69 H GLU 69 3.436 -3.407 -3.101 63 HA GLU 69 HA GLU 69 5.158 -5.209 -1.525 64 HB3 GLU 69 HB2 GLU 69 6.202 -3.393 -3.661 65 HG3 GLU 69 HG2 GLU 69 7.026 -6.180 -2.889 66 H THR 70 H THR 70 5.219 -1.679 -2.482 67 HA THR 70 HA THR 70 5.774 -1.133 0.256 68 HB THR 70 HB THR 70 8.014 -1.745 -0.691 69 HG1 THR 70 1HG THR 70 8.150 -0.548 1.107 70 HG21 THR 70 3HG2 THR 70 8.044 -0.821 -2.847 71 HG22 THR 70 1HG2 THR 70 9.170 0.149 -1.896 72 HG23 THR 70 2HG2 THR 70 7.559 0.770 -2.260 73 H ASN 71 H ASN 71 5.176 0.114 -2.864 74 HA ASN 71 HA ASN 71 5.301 2.761 -2.451 75 HB3 ASN 71 HB2 ASN 71 3.766 3.102 -4.186 76 HD21 ASN 71 1HD2 ASN 71 3.786 -0.422 -4.103 77 HD22 ASN 71 2HD2 ASN 71 4.824 -0.627 -5.470 78 H GLU 72 H GLU 72 2.692 0.672 -1.509 79 HA GLU 72 HA GLU 72 1.667 2.826 0.221 80 HB3 GLU 72 HB2 GLU 72 -0.451 1.717 0.222 81 HG3 GLU 72 HG2 GLU 72 -1.015 1.586 -2.187 82 H CYS 73 H CYS 73 3.201 -0.137 -0.116 83 HA CYS 73 HA CYS 73 2.580 -0.941 2.506 84 HB3 CYS 73 HB2 CYS 73 4.162 -2.805 1.250 85 H ARG 74 H ARG 74 4.420 1.301 2.043 86 HA ARG 74 HA ARG 74 7.092 0.465 2.484 87 HB3 ARG 74 HB2 ARG 74 5.762 3.113 3.088 88 HG3 ARG 74 HG2 ARG 74 8.656 2.328 2.998 89 HD3 ARG 74 2HD ARG 74 9.008 4.857 3.191 90 HE ARG 74 HE ARG 74 8.622 3.362 0.768 91 HH11 ARG 74 1HH1 ARG 74 9.456 6.476 2.105 92 HH12 ARG 74 2HH1 ARG 74 10.335 6.983 0.702 93 HH21 ARG 74 1HH2 ARG 74 9.780 4.026 -1.078 94 HH22 ARG 74 2HH2 ARG 74 10.520 5.592 -1.106 95 H THR 75 H THR 75 4.387 1.160 4.582 96 HA THR 75 HA THR 75 6.077 0.593 6.926 97 HB THR 75 HB THR 75 3.431 2.056 6.800 98 HG1 THR 75 1HG THR 75 4.563 3.851 6.832 99 HG21 THR 75 3HG2 THR 75 3.344 2.151 9.020 100 HG22 THR 75 1HG2 THR 75 5.084 2.399 9.172 101 HG23 THR 75 2HG2 THR 75 4.440 0.769 8.984 102 H TYR 76 H TYR 76 3.080 -0.182 5.267 103 HA TYR 76 HA TYR 76 2.204 -2.071 7.245 104 HB3 TYR 76 HB2 TYR 76 1.068 -2.391 4.568 105 HD1 TYR 76 1HD TYR 76 0.541 -1.092 8.024 106 HD2 TYR 76 2HD TYR 76 -1.092 -3.233 4.729 107 HE1 TYR 76 1HE TYR 76 -1.430 -1.664 9.379 108 HE2 TYR 76 2HE TYR 76 -3.068 -3.808 6.076 109 HH TYR 76 HH TYR 76 -3.748 -3.989 8.364 110 H ASP 77 H ASP 77 1.422 -4.284 5.931 111 HA ASP 77 HA ASP 77 2.124 -6.346 5.288 112 HB3 ASP 77 HB2 ASP 77 3.916 -4.620 3.582 113 H ASN 78 H ASN 78 3.934 -7.904 5.389 114 HA ASN 78 HA ASN 78 5.777 -7.146 7.534 115 HB3 ASN 78 HB2 ASN 78 5.896 -9.944 6.867 116 HD21 ASN 78 1HD2 ASN 78 7.331 -8.904 8.656 117 HD22 ASN 78 2HD2 ASN 78 6.721 -9.085 10.262 Start of MODEL 3 1 H SER 57 1H SER 57 -12.068 -2.013 1.750 2 HA SER 57 HA SER 57 -12.973 -1.113 4.404 3 HB3 SER 57 HB2 SER 57 -10.182 -1.092 4.227 4 HG SER 57 HG SER 57 -10.833 -3.312 5.412 5 H ASP 58 H ASP 58 -11.160 0.673 4.956 6 HA ASP 58 HA ASP 58 -11.815 2.919 3.383 7 HB3 ASP 58 HB2 ASP 58 -9.387 3.308 4.919 8 HA PRO 59 HA PRO 59 -8.978 3.167 0.040 9 HB3 PRO 59 HB2 PRO 59 -8.381 5.359 -0.341 10 HG3 PRO 59 HG2 PRO 59 -10.635 5.549 0.204 11 HD3 PRO 59 2HD PRO 59 -11.495 4.613 2.122 12 H LEU 60 H LEU 60 -7.868 3.023 3.215 13 HA LEU 60 HA LEU 60 -5.067 3.010 2.753 14 HB3 LEU 60 HB2 LEU 60 -6.779 2.040 5.031 15 HG LEU 60 HG LEU 60 -3.862 1.680 4.675 16 HD11 LEU 60 1HD1 LEU 60 -3.894 1.849 7.343 17 HD12 LEU 60 2HD1 LEU 60 -5.051 3.124 6.962 18 HD13 LEU 60 3HD1 LEU 60 -3.418 3.189 6.300 19 HD21 LEU 60 3HD2 LEU 60 -4.273 -0.335 5.585 20 HD22 LEU 60 1HD2 LEU 60 -5.947 0.029 5.166 21 HD23 LEU 60 2HD2 LEU 60 -5.364 0.320 6.805 22 H GLU 61 H GLU 61 -7.414 0.398 3.344 23 HA GLU 61 HA GLU 61 -5.577 -1.703 3.006 24 HB3 GLU 61 HB2 GLU 61 -7.901 -2.900 2.359 25 HG3 GLU 61 HG2 GLU 61 -8.302 -2.548 5.050 26 H GLU 62 H GLU 62 -7.741 -0.096 0.726 27 HA GLU 62 HA GLU 62 -7.340 -1.810 -1.448 28 HB3 GLU 62 HB2 GLU 62 -7.841 0.275 -2.835 29 HG3 GLU 62 HG2 GLU 62 -10.180 0.419 -2.153 30 H TYR 63 H TYR 63 -5.376 0.788 -0.164 31 HA TYR 63 HA TYR 63 -3.735 1.131 -2.435 32 HB3 TYR 63 HB2 TYR 63 -2.081 1.601 -0.274 33 HD1 TYR 63 1HD TYR 63 -5.108 3.343 -1.632 34 HD2 TYR 63 2HD TYR 63 -0.901 3.408 -1.027 35 HE1 TYR 63 1HE TYR 63 -4.983 5.507 -2.785 36 HE2 TYR 63 2HE TYR 63 -0.756 5.567 -2.177 37 HH TYR 63 HH TYR 63 -1.962 6.940 -3.688 38 H CYS 64 H CYS 64 -2.967 -0.560 0.620 39 HA CYS 64 HA CYS 64 -0.640 -1.706 -0.289 40 HB3 CYS 64 HB2 CYS 64 -1.126 -3.517 1.466 41 H LYS 65 H LYS 65 -3.852 -2.417 -1.203 42 HA LYS 65 HA LYS 65 -3.257 -5.037 -2.287 43 HB3 LYS 65 HB2 LYS 65 -5.647 -3.192 -2.549 44 HG3 LYS 65 HG2 LYS 65 -6.650 -5.560 -3.281 45 HD3 LYS 65 2HD LYS 65 -6.591 -4.768 -5.595 46 HE3 LYS 65 2HE LYS 65 -6.829 -2.160 -4.313 47 HZ1 LYS 65 3HZ LYS 65 -9.286 -2.873 -4.931 48 HZ2 LYS 65 1HZ LYS 65 -8.461 -3.980 -5.909 49 HZ3 LYS 65 2HZ LYS 65 -8.193 -2.319 -6.097 50 H ASP 66 H ASP 66 -3.659 -1.689 -3.321 51 HA ASP 66 HA ASP 66 -2.959 -2.282 -6.082 52 HB3 ASP 66 HB2 ASP 66 -3.079 0.292 -6.212 53 H ASN 67 H ASN 67 -1.296 -1.951 -3.268 54 HA ASN 67 HA ASN 67 1.040 -0.527 -4.301 55 HB3 ASN 67 HB2 ASN 67 1.705 -0.900 -1.841 56 HD21 ASN 67 1HD2 ASN 67 -1.289 0.335 -3.153 57 HD22 ASN 67 2HD2 ASN 67 -1.040 1.953 -2.661 58 HA PRO 68 HA PRO 68 2.433 -4.916 -4.883 59 HB3 PRO 68 HB2 PRO 68 1.803 -4.945 -7.113 60 HG3 PRO 68 HG2 PRO 68 1.568 -2.977 -8.313 61 HD3 PRO 68 2HD PRO 68 0.351 -2.359 -6.482 62 H GLU 69 H GLU 69 4.017 -1.989 -6.133 63 HA GLU 69 HA GLU 69 6.586 -2.835 -5.025 64 HB3 GLU 69 HB2 GLU 69 6.678 -1.988 -7.296 65 HG3 GLU 69 HG2 GLU 69 5.281 0.425 -6.189 66 H THR 70 H THR 70 3.904 -1.485 -3.969 67 HA THR 70 HA THR 70 5.215 0.191 -1.955 68 HB THR 70 HB THR 70 2.843 1.333 -1.958 69 HG1 THR 70 1HG THR 70 2.018 1.502 -4.067 70 HG21 THR 70 3HG2 THR 70 4.943 1.987 -3.999 71 HG22 THR 70 1HG2 THR 70 4.841 2.596 -2.348 72 HG23 THR 70 2HG2 THR 70 3.615 3.050 -3.532 73 H ASN 71 H ASN 71 4.226 -2.676 -2.403 74 HA ASN 71 HA ASN 71 2.185 -3.147 -0.454 75 HB3 ASN 71 HB2 ASN 71 3.229 -4.798 -2.257 76 HD21 ASN 71 1HD2 ASN 71 5.628 -3.599 -1.357 77 HD22 ASN 71 2HD2 ASN 71 6.719 -4.865 -0.928 78 H GLU 72 H GLU 72 4.914 -1.688 -0.572 79 HA GLU 72 HA GLU 72 6.099 -2.342 2.032 80 HB3 GLU 72 HB2 GLU 72 7.593 -2.023 0.031 81 HG3 GLU 72 HG2 GLU 72 6.125 0.475 -0.186 82 H CYS 73 H CYS 73 3.606 -0.941 0.893 83 HA CYS 73 HA CYS 73 3.376 1.620 1.220 84 HB3 CYS 73 HB2 CYS 73 1.438 0.690 0.440 85 H ARG 74 H ARG 74 4.951 0.569 3.340 86 HA ARG 74 HA ARG 74 3.528 1.142 5.821 87 HB3 ARG 74 HB2 ARG 74 6.371 0.276 5.277 88 HG3 ARG 74 HG2 ARG 74 5.130 1.247 7.737 89 HD3 ARG 74 2HD ARG 74 6.919 -1.140 7.999 90 HE ARG 74 HE ARG 74 6.609 -0.516 10.164 91 HH11 ARG 74 1HH1 ARG 74 3.644 0.103 8.432 92 HH12 ARG 74 2HH1 ARG 74 2.783 0.628 9.840 93 HH21 ARG 74 1HH2 ARG 74 5.478 0.168 12.018 94 HH22 ARG 74 2HH2 ARG 74 3.826 0.664 11.877 95 H THR 75 H THR 75 4.581 3.083 3.557 96 HA THR 75 HA THR 75 5.470 5.149 3.352 97 HB THR 75 HB THR 75 3.662 6.131 4.259 98 HG1 THR 75 1HG THR 75 4.859 7.642 5.091 99 HG21 THR 75 3HG2 THR 75 4.042 4.789 6.917 100 HG22 THR 75 1HG2 THR 75 2.996 4.189 5.631 101 HG23 THR 75 2HG2 THR 75 2.659 5.746 6.389 102 H TYR 76 H TYR 76 6.687 6.976 4.630 103 HA TYR 76 HA TYR 76 8.995 5.655 5.896 104 HB3 TYR 76 HB2 TYR 76 9.252 8.433 4.885 105 HD1 TYR 76 1HD TYR 76 11.104 7.832 6.708 106 HD2 TYR 76 2HD TYR 76 10.899 6.161 2.799 107 HE1 TYR 76 1HE TYR 76 13.497 7.280 6.824 108 HE2 TYR 76 2HE TYR 76 13.291 5.605 2.905 109 HH TYR 76 HH TYR 76 15.103 5.823 5.825 110 H ASP 77 H ASP 77 7.342 8.818 5.944 111 HA ASP 77 HA ASP 77 8.246 9.295 8.654 112 HB3 ASP 77 HB2 ASP 77 6.494 11.331 8.080 113 H ASN 78 H ASN 78 6.700 9.952 10.348 114 HA ASN 78 HA ASN 78 4.401 8.147 10.342 115 HB3 ASN 78 HB2 ASN 78 4.341 8.616 12.791 116 HD21 ASN 78 1HD2 ASN 78 5.508 7.297 14.205 117 HD22 ASN 78 2HD2 ASN 78 6.703 6.188 13.632 Start of MODEL 4 1 H SER 57 1H SER 57 -13.243 -1.322 4.685 2 HA SER 57 HA SER 57 -12.053 -0.348 6.373 3 HB3 SER 57 HB2 SER 57 -9.345 -0.578 5.682 4 HG SER 57 HG SER 57 -10.137 -0.635 7.799 5 H ASP 58 H ASP 58 -10.135 1.391 6.144 6 HA ASP 58 HA ASP 58 -11.017 3.265 4.248 7 HB3 ASP 58 HB2 ASP 58 -8.294 3.773 5.102 8 HA PRO 59 HA PRO 59 -9.013 2.551 0.411 9 HB3 PRO 59 HB2 PRO 59 -8.406 4.548 -0.569 10 HG3 PRO 59 HG2 PRO 59 -10.479 5.039 0.369 11 HD3 PRO 59 2HD PRO 59 -10.932 4.611 2.584 12 H LEU 60 H LEU 60 -7.201 2.961 3.220 13 HA LEU 60 HA LEU 60 -4.573 2.690 2.277 14 HB3 LEU 60 HB2 LEU 60 -3.956 2.141 4.510 15 HG LEU 60 HG LEU 60 -6.315 4.009 4.520 16 HD11 LEU 60 1HD1 LEU 60 -6.021 4.497 6.765 17 HD12 LEU 60 2HD1 LEU 60 -4.435 3.729 6.830 18 HD13 LEU 60 3HD1 LEU 60 -5.890 2.739 6.727 19 HD21 LEU 60 3HD2 LEU 60 -3.476 4.715 5.115 20 HD22 LEU 60 1HD2 LEU 60 -4.765 5.713 4.443 21 HD23 LEU 60 2HD2 LEU 60 -3.987 4.486 3.443 22 H GLU 61 H GLU 61 -7.004 0.292 3.180 23 HA GLU 61 HA GLU 61 -5.368 -1.976 2.979 24 HB3 GLU 61 HB2 GLU 61 -8.016 -2.662 2.183 25 HG3 GLU 61 HG2 GLU 61 -6.533 -3.960 3.701 26 H GLU 62 H GLU 62 -7.573 -0.549 0.605 27 HA GLU 62 HA GLU 62 -6.953 -2.339 -1.479 28 HB3 GLU 62 HB2 GLU 62 -7.828 -0.504 -2.976 29 HG3 GLU 62 HG2 GLU 62 -9.842 -0.746 -0.827 30 H TYR 63 H TYR 63 -5.370 0.484 -0.247 31 HA TYR 63 HA TYR 63 -3.885 1.220 -2.470 32 HB3 TYR 63 HB2 TYR 63 -2.146 1.520 -0.314 33 HD1 TYR 63 1HD TYR 63 -5.151 2.929 -1.963 34 HD2 TYR 63 2HD TYR 63 -1.290 3.688 -0.374 35 HE1 TYR 63 1HE TYR 63 -5.208 5.174 -2.934 36 HE2 TYR 63 2HE TYR 63 -1.319 5.934 -1.341 37 HH TYR 63 HH TYR 63 -3.426 6.907 -3.687 38 H CYS 64 H CYS 64 -2.765 -0.901 0.198 39 HA CYS 64 HA CYS 64 -0.493 -1.686 -1.259 40 HB3 CYS 64 HB2 CYS 64 -1.795 -3.335 0.922 41 H LYS 65 H LYS 65 -3.798 -2.575 -1.491 42 HA LYS 65 HA LYS 65 -3.491 -5.157 -2.625 43 HB3 LYS 65 HB2 LYS 65 -5.673 -3.124 -3.161 44 HG3 LYS 65 HG2 LYS 65 -6.282 -5.998 -3.131 45 HD3 LYS 65 2HD LYS 65 -7.985 -4.305 -3.579 46 HE3 LYS 65 2HE LYS 65 -6.069 -3.512 -5.735 47 HZ1 LYS 65 3HZ LYS 65 -8.142 -2.109 -6.448 48 HZ2 LYS 65 1HZ LYS 65 -8.994 -3.447 -5.858 49 HZ3 LYS 65 2HZ LYS 65 -7.867 -3.644 -7.104 50 H ASP 66 H ASP 66 -3.519 -1.870 -3.911 51 HA ASP 66 HA ASP 66 -2.979 -2.807 -6.619 52 HB3 ASP 66 HB2 ASP 66 -2.525 -0.037 -6.507 53 H ASN 67 H ASN 67 -1.365 -1.380 -3.861 54 HA ASN 67 HA ASN 67 1.259 -1.636 -5.177 55 HB3 ASN 67 HB2 ASN 67 1.973 0.120 -3.693 56 HD21 ASN 67 1HD2 ASN 67 -1.435 0.706 -3.701 57 HD22 ASN 67 2HD2 ASN 67 -1.429 1.893 -4.953 58 HA PRO 68 HA PRO 68 0.576 -4.952 -1.977 59 HB3 PRO 68 HB2 PRO 68 -0.019 -6.461 -3.567 60 HG3 PRO 68 HG2 PRO 68 0.688 -6.222 -5.774 61 HD3 PRO 68 2HD PRO 68 -0.186 -4.136 -5.324 62 H GLU 69 H GLU 69 3.490 -3.621 -3.329 63 HA GLU 69 HA GLU 69 4.950 -5.408 -1.491 64 HB3 GLU 69 HB2 GLU 69 6.978 -4.357 -2.764 65 HG3 GLU 69 HG2 GLU 69 5.542 -6.050 -4.659 66 H THR 70 H THR 70 5.269 -1.856 -2.394 67 HA THR 70 HA THR 70 5.503 -1.377 0.409 68 HB THR 70 HB THR 70 7.800 -2.113 -0.251 69 HG1 THR 70 1HG THR 70 8.804 -0.390 0.870 70 HG21 THR 70 3HG2 THR 70 8.002 0.561 -1.602 71 HG22 THR 70 1HG2 THR 70 7.824 -0.964 -2.469 72 HG23 THR 70 2HG2 THR 70 9.246 -0.683 -1.464 73 H ASN 71 H ASN 71 5.396 -0.077 -2.750 74 HA ASN 71 HA ASN 71 5.662 2.528 -2.399 75 HB3 ASN 71 HB2 ASN 71 4.248 2.953 -4.204 76 HD21 ASN 71 1HD2 ASN 71 3.789 -0.528 -4.017 77 HD22 ASN 71 2HD2 ASN 71 4.851 -0.922 -5.324 78 H GLU 72 H GLU 72 2.818 0.737 -1.514 79 HA GLU 72 HA GLU 72 1.989 3.029 0.147 80 HB3 GLU 72 HB2 GLU 72 -0.252 2.238 0.037 81 HG3 GLU 72 HG2 GLU 72 -0.719 2.163 -2.363 82 H CYS 73 H CYS 73 3.191 -0.084 -0.061 83 HA CYS 73 HA CYS 73 2.351 -0.739 2.558 84 HB3 CYS 73 HB2 CYS 73 3.909 -2.717 1.215 85 H ARG 74 H ARG 74 4.503 1.229 2.000 86 HA ARG 74 HA ARG 74 6.949 -0.004 2.893 87 HB3 ARG 74 HB2 ARG 74 6.216 2.913 2.565 88 HG3 ARG 74 HG2 ARG 74 9.019 1.937 2.445 89 HD3 ARG 74 2HD ARG 74 8.140 4.457 3.744 90 HE ARG 74 HE ARG 74 10.542 3.514 2.631 91 HH11 ARG 74 1HH1 ARG 74 8.614 6.419 2.786 92 HH12 ARG 74 2HH1 ARG 74 9.971 7.479 2.609 93 HH21 ARG 74 1HH2 ARG 74 12.329 4.908 2.397 94 HH22 ARG 74 2HH2 ARG 74 12.080 6.622 2.388 95 H THR 75 H THR 75 4.271 1.712 4.311 96 HA THR 75 HA THR 75 5.505 2.353 6.786 97 HB THR 75 HB THR 75 2.589 1.884 6.783 98 HG1 THR 75 1HG THR 75 3.685 3.921 5.150 99 HG21 THR 75 3HG2 THR 75 3.487 4.599 7.165 100 HG22 THR 75 1HG2 THR 75 4.340 3.468 8.214 101 HG23 THR 75 2HG2 THR 75 2.578 3.544 8.247 102 H TYR 76 H TYR 76 3.689 1.375 8.685 103 HA TYR 76 HA TYR 76 4.839 -1.137 9.274 104 HB3 TYR 76 HB2 TYR 76 2.449 -0.759 10.784 105 HD1 TYR 76 1HD TYR 76 4.867 -2.521 10.875 106 HD2 TYR 76 2HD TYR 76 4.062 1.210 12.754 107 HE1 TYR 76 1HE TYR 76 6.443 -3.094 12.673 108 HE2 TYR 76 2HE TYR 76 5.636 0.649 14.557 109 HH TYR 76 HH TYR 76 7.678 -0.881 14.808 110 H ASP 77 H ASP 77 2.814 -2.715 10.250 111 HA ASP 77 HA ASP 77 0.896 -3.198 8.128 112 HB3 ASP 77 HB2 ASP 77 2.590 -5.545 8.874 113 H ASN 78 H ASN 78 -0.714 -4.787 8.700 114 HA ASN 78 HA ASN 78 -0.803 -6.137 11.155 115 HB3 ASN 78 HB2 ASN 78 -2.334 -3.526 11.147 116 HD21 ASN 78 1HD2 ASN 78 -1.369 -4.158 14.134 117 HD22 ASN 78 2HD2 ASN 78 -2.736 -5.020 14.745 Start of MODEL 5 1 H SER 57 1H SER 57 -11.562 -1.851 4.592 2 HA SER 57 HA SER 57 -11.517 -0.461 7.172 3 HB3 SER 57 HB2 SER 57 -9.380 -1.067 7.548 4 HG SER 57 HG SER 57 -9.712 -2.796 5.320 5 H ASP 58 H ASP 58 -9.743 1.384 6.657 6 HA ASP 58 HA ASP 58 -10.989 3.172 4.899 7 HB3 ASP 58 HB2 ASP 58 -8.203 3.837 5.285 8 HA PRO 59 HA PRO 59 -9.587 2.469 0.800 9 HB3 PRO 59 HB2 PRO 59 -9.246 4.469 -0.293 10 HG3 PRO 59 HG2 PRO 59 -11.157 4.900 0.958 11 HD3 PRO 59 2HD PRO 59 -11.236 4.485 3.219 12 H LEU 60 H LEU 60 -7.373 3.044 3.280 13 HA LEU 60 HA LEU 60 -4.927 2.842 1.914 14 HB3 LEU 60 HB2 LEU 60 -4.946 3.641 4.165 15 HG LEU 60 HG LEU 60 -6.861 1.907 4.844 16 HD11 LEU 60 1HD1 LEU 60 -4.826 0.165 4.693 17 HD12 LEU 60 2HD1 LEU 60 -6.191 -0.027 5.792 18 HD13 LEU 60 3HD1 LEU 60 -4.676 0.659 6.380 19 HD21 LEU 60 3HD2 LEU 60 -5.045 2.553 7.077 20 HD22 LEU 60 1HD2 LEU 60 -6.763 2.898 6.870 21 HD23 LEU 60 2HD2 LEU 60 -5.558 3.908 6.072 22 H GLU 61 H GLU 61 -7.217 0.439 3.007 23 HA GLU 61 HA GLU 61 -5.556 -1.818 2.881 24 HB3 GLU 61 HB2 GLU 61 -7.647 -2.069 3.969 25 HG3 GLU 61 HG2 GLU 61 -8.700 -0.396 2.041 26 H GLU 62 H GLU 62 -7.620 -0.333 0.426 27 HA GLU 62 HA GLU 62 -7.038 -2.214 -1.603 28 HB3 GLU 62 HB2 GLU 62 -7.827 -0.424 -3.166 29 HG3 GLU 62 HG2 GLU 62 -10.138 -0.278 -2.322 30 H TYR 63 H TYR 63 -5.377 0.571 -0.379 31 HA TYR 63 HA TYR 63 -3.793 1.178 -2.585 32 HB3 TYR 63 HB2 TYR 63 -2.128 1.512 -0.373 33 HD1 TYR 63 1HD TYR 63 -5.022 2.955 -2.186 34 HD2 TYR 63 2HD TYR 63 -1.194 3.648 -0.486 35 HE1 TYR 63 1HE TYR 63 -4.970 5.167 -3.233 36 HE2 TYR 63 2HE TYR 63 -1.115 5.859 -1.532 37 HH TYR 63 HH TYR 63 -3.842 7.349 -2.891 38 H CYS 64 H CYS 64 -2.842 -0.858 0.213 39 HA CYS 64 HA CYS 64 -0.545 -1.796 -1.093 40 HB3 CYS 64 HB2 CYS 64 -0.939 -3.823 0.611 41 H LYS 65 H LYS 65 -3.870 -2.558 -1.478 42 HA LYS 65 HA LYS 65 -3.581 -5.186 -2.520 43 HB3 LYS 65 HB2 LYS 65 -5.715 -3.131 -3.146 44 HG3 LYS 65 HG2 LYS 65 -7.007 -5.470 -3.212 45 HD3 LYS 65 2HD LYS 65 -6.925 -5.344 -5.644 46 HE3 LYS 65 2HE LYS 65 -6.737 -2.473 -5.094 47 HZ1 LYS 65 3HZ LYS 65 -9.161 -4.043 -5.716 48 HZ2 LYS 65 1HZ LYS 65 -8.018 -3.686 -6.911 49 HZ3 LYS 65 2HZ LYS 65 -8.817 -2.434 -6.104 50 H ASP 66 H ASP 66 -3.515 -1.930 -3.898 51 HA ASP 66 HA ASP 66 -2.944 -2.969 -6.564 52 HB3 ASP 66 HB2 ASP 66 -2.551 -0.335 -6.862 53 H ASN 67 H ASN 67 -1.329 -1.430 -3.855 54 HA ASN 67 HA ASN 67 1.293 -1.856 -5.127 55 HB3 ASN 67 HB2 ASN 67 2.040 0.106 -4.107 56 HD21 ASN 67 1HD2 ASN 67 -1.341 0.625 -3.549 57 HD22 ASN 67 2HD2 ASN 67 -1.585 1.716 -4.860 58 HA PRO 68 HA PRO 68 0.679 -4.455 -1.331 59 HB3 PRO 68 HB2 PRO 68 -0.369 -6.077 -2.571 60 HG3 PRO 68 HG2 PRO 68 0.181 -6.449 -4.800 61 HD3 PRO 68 2HD PRO 68 -0.189 -4.195 -4.939 62 H GLU 69 H GLU 69 3.446 -3.555 -3.049 63 HA GLU 69 HA GLU 69 5.022 -5.383 -1.360 64 HB3 GLU 69 HB2 GLU 69 6.895 -4.982 -2.830 65 HG3 GLU 69 HG2 GLU 69 4.683 -5.278 -4.793 66 H THR 70 H THR 70 5.336 -1.890 -2.435 67 HA THR 70 HA THR 70 5.854 -1.301 0.298 68 HB THR 70 HB THR 70 8.063 -2.127 -0.555 69 HG1 THR 70 1HG THR 70 9.112 -0.696 0.673 70 HG21 THR 70 3HG2 THR 70 9.148 0.148 -1.664 71 HG22 THR 70 1HG2 THR 70 7.611 -0.041 -2.509 72 HG23 THR 70 2HG2 THR 70 8.782 -1.360 -2.504 73 H ASN 71 H ASN 71 5.457 -0.099 -2.873 74 HA ASN 71 HA ASN 71 5.804 2.533 -2.524 75 HB3 ASN 71 HB2 ASN 71 4.340 2.961 -4.299 76 HD21 ASN 71 1HD2 ASN 71 3.905 -0.516 -4.198 77 HD22 ASN 71 2HD2 ASN 71 4.982 -0.879 -5.501 78 H GLU 72 H GLU 72 2.976 0.732 -1.631 79 HA GLU 72 HA GLU 72 2.150 2.988 0.075 80 HB3 GLU 72 HB2 GLU 72 -0.090 2.185 -0.040 81 HG3 GLU 72 HG2 GLU 72 -0.584 2.204 -2.422 82 H CYS 73 H CYS 73 3.366 -0.113 -0.222 83 HA CYS 73 HA CYS 73 2.536 -0.867 2.364 84 HB3 CYS 73 HB2 CYS 73 4.078 -2.818 1.069 85 H ARG 74 H ARG 74 4.665 1.171 1.908 86 HA ARG 74 HA ARG 74 7.170 0.013 2.604 87 HB3 ARG 74 HB2 ARG 74 6.238 2.871 2.929 88 HG3 ARG 74 HG2 ARG 74 9.056 2.116 2.357 89 HD3 ARG 74 2HD ARG 74 8.212 4.262 4.225 90 HE ARG 74 HE ARG 74 10.503 3.725 2.654 91 HH11 ARG 74 1HH1 ARG 74 8.546 6.363 3.831 92 HH12 ARG 74 2HH1 ARG 74 9.849 7.506 3.806 93 HH21 ARG 74 1HH2 ARG 74 12.217 5.224 2.621 94 HH22 ARG 74 2HH2 ARG 74 11.932 6.859 3.119 95 H THR 75 H THR 75 4.596 1.596 4.432 96 HA THR 75 HA THR 75 4.274 1.919 6.671 97 HB THR 75 HB THR 75 3.420 -0.229 6.694 98 HG1 THR 75 1HG THR 75 3.781 -0.503 8.710 99 HG21 THR 75 3HG2 THR 75 4.958 -1.288 5.134 100 HG22 THR 75 1HG2 THR 75 4.681 -2.293 6.556 101 HG23 THR 75 2HG2 THR 75 6.180 -1.378 6.402 102 H TYR 76 H TYR 76 5.403 0.900 8.932 103 HA TYR 76 HA TYR 76 8.154 1.963 8.835 104 HB3 TYR 76 HB2 TYR 76 6.251 2.123 11.180 105 HD1 TYR 76 1HD TYR 76 7.976 1.552 12.801 106 HD2 TYR 76 2HD TYR 76 8.547 4.725 10.025 107 HE1 TYR 76 1HE TYR 76 9.876 2.366 14.132 108 HE2 TYR 76 2HE TYR 76 10.449 5.549 11.348 109 HH TYR 76 HH TYR 76 11.858 3.718 13.877 110 H ASP 77 H ASP 77 5.978 -0.199 10.629 111 HA ASP 77 HA ASP 77 8.121 -2.150 10.850 112 HB3 ASP 77 HB2 ASP 77 6.781 -1.886 13.422 113 H ASN 78 H ASN 78 7.264 -4.199 11.943 114 HA ASN 78 HA ASN 78 4.388 -4.564 11.608 115 HB3 ASN 78 HB2 ASN 78 5.909 -6.757 10.393 116 HD21 ASN 78 1HD2 ASN 78 3.299 -6.436 11.334 117 HD22 ASN 78 2HD2 ASN 78 2.221 -6.483 9.985 Start of MODEL 6 1 H SER 57 1H SER 57 -12.355 -2.838 5.508 2 HA SER 57 HA SER 57 -10.982 -1.832 7.024 3 HB3 SER 57 HB2 SER 57 -8.528 -1.404 5.731 4 HG SER 57 HG SER 57 -7.801 -2.924 7.333 5 H ASP 58 H ASP 58 -9.526 0.289 6.679 6 HA ASP 58 HA ASP 58 -11.160 2.144 5.354 7 HB3 ASP 58 HB2 ASP 58 -8.456 3.126 5.649 8 HA PRO 59 HA PRO 59 -10.079 2.327 1.105 9 HB3 PRO 59 HB2 PRO 59 -10.070 4.511 0.360 10 HG3 PRO 59 HG2 PRO 59 -11.903 4.465 1.790 11 HD3 PRO 59 2HD PRO 59 -11.734 3.662 3.936 12 H LEU 60 H LEU 60 -7.719 2.784 3.478 13 HA LEU 60 HA LEU 60 -5.430 3.015 1.805 14 HB3 LEU 60 HB2 LEU 60 -5.490 3.719 4.185 15 HG LEU 60 HG LEU 60 -6.543 1.338 4.863 16 HD11 LEU 60 1HD1 LEU 60 -4.194 0.392 4.209 17 HD12 LEU 60 2HD1 LEU 60 -5.034 -0.208 5.638 18 HD13 LEU 60 3HD1 LEU 60 -3.739 0.978 5.809 19 HD21 LEU 60 3HD2 LEU 60 -5.084 3.456 6.298 20 HD22 LEU 60 1HD2 LEU 60 -5.311 1.947 7.182 21 HD23 LEU 60 2HD2 LEU 60 -6.709 2.819 6.554 22 H GLU 61 H GLU 61 -7.360 0.364 2.919 23 HA GLU 61 HA GLU 61 -5.508 -1.723 2.701 24 HB3 GLU 61 HB2 GLU 61 -8.295 -2.285 1.882 25 HG3 GLU 61 HG2 GLU 61 -7.284 -3.473 4.338 26 H GLU 62 H GLU 62 -7.666 -0.287 0.301 27 HA GLU 62 HA GLU 62 -7.051 -2.058 -1.800 28 HB3 GLU 62 HB2 GLU 62 -7.812 -0.143 -3.278 29 HG3 GLU 62 HG2 GLU 62 -9.669 -0.892 -1.027 30 H TYR 63 H TYR 63 -5.394 0.707 -0.500 31 HA TYR 63 HA TYR 63 -3.798 1.315 -2.722 32 HB3 TYR 63 HB2 TYR 63 -2.184 1.796 -0.530 33 HD1 TYR 63 1HD TYR 63 -5.370 3.314 -1.756 34 HD2 TYR 63 2HD TYR 63 -1.172 3.727 -1.219 35 HE1 TYR 63 1HE TYR 63 -5.464 5.535 -2.791 36 HE2 TYR 63 2HE TYR 63 -1.250 5.948 -2.253 37 HH TYR 63 HH TYR 63 -2.808 7.160 -3.912 38 H CYS 64 H CYS 64 -2.863 -0.578 0.187 39 HA CYS 64 HA CYS 64 -0.477 -1.488 -0.933 40 HB3 CYS 64 HB2 CYS 64 -0.952 -3.532 0.729 41 H LYS 65 H LYS 65 -3.727 -2.334 -1.631 42 HA LYS 65 HA LYS 65 -3.168 -4.925 -2.746 43 HB3 LYS 65 HB2 LYS 65 -5.520 -3.057 -3.151 44 HG3 LYS 65 HG2 LYS 65 -5.824 -5.957 -3.583 45 HD3 LYS 65 2HD LYS 65 -7.704 -4.388 -3.753 46 HE3 LYS 65 2HE LYS 65 -5.852 -2.770 -5.098 47 HZ1 LYS 65 3HZ LYS 65 -7.719 -4.042 -6.923 48 HZ2 LYS 65 1HZ LYS 65 -6.229 -3.302 -7.237 49 HZ3 LYS 65 2HZ LYS 65 -7.618 -2.357 -7.037 50 H ASP 66 H ASP 66 -3.484 -1.599 -3.895 51 HA ASP 66 HA ASP 66 -2.890 -2.270 -6.648 52 HB3 ASP 66 HB2 ASP 66 -2.423 0.394 -6.524 53 H ASN 67 H ASN 67 -1.258 -1.400 -3.754 54 HA ASN 67 HA ASN 67 1.398 -1.477 -5.011 55 HB3 ASN 67 HB2 ASN 67 2.067 0.020 -3.243 56 HD21 ASN 67 1HD2 ASN 67 -0.712 1.555 -2.660 57 HD22 ASN 67 2HD2 ASN 67 -0.807 2.577 -4.046 58 HA PRO 68 HA PRO 68 0.266 -5.353 -2.650 59 HB3 PRO 68 HB2 PRO 68 0.837 -7.037 -4.079 60 HG3 PRO 68 HG2 PRO 68 -0.394 -5.692 -5.494 61 HD3 PRO 68 2HD PRO 68 0.007 -3.455 -5.639 62 H GLU 69 H GLU 69 3.584 -4.159 -3.375 63 HA GLU 69 HA GLU 69 4.349 -5.796 -1.048 64 HB3 GLU 69 HB2 GLU 69 5.514 -6.309 -3.079 65 HG3 GLU 69 HG2 GLU 69 7.103 -3.825 -3.057 66 H THR 70 H THR 70 5.447 -2.463 -2.192 67 HA THR 70 HA THR 70 5.416 -1.796 0.599 68 HB THR 70 HB THR 70 8.043 -1.169 -0.512 69 HG1 THR 70 1HG THR 70 7.451 -3.864 0.118 70 HG21 THR 70 3HG2 THR 70 6.849 -1.841 2.041 71 HG22 THR 70 1HG2 THR 70 8.284 -0.885 1.674 72 HG23 THR 70 2HG2 THR 70 8.393 -2.642 1.763 73 H ASN 71 H ASN 71 5.855 -0.672 -2.647 74 HA ASN 71 HA ASN 71 6.585 1.857 -2.219 75 HB3 ASN 71 HB2 ASN 71 6.148 1.083 -4.465 76 HD21 ASN 71 1HD2 ASN 71 4.805 -0.941 -3.845 77 HD22 ASN 71 2HD2 ASN 71 3.196 -0.953 -4.460 78 H GLU 72 H GLU 72 3.412 0.555 -1.620 79 HA GLU 72 HA GLU 72 2.764 3.110 -0.284 80 HB3 GLU 72 HB2 GLU 72 1.184 1.653 -2.037 81 HG3 GLU 72 HG2 GLU 72 0.745 0.124 -0.014 82 H CYS 73 H CYS 73 3.512 -0.176 -0.077 83 HA CYS 73 HA CYS 73 2.444 -0.457 2.507 84 HB3 CYS 73 HB2 CYS 73 3.917 -2.689 1.561 85 H ARG 74 H ARG 74 4.809 1.273 1.998 86 HA ARG 74 HA ARG 74 7.125 0.012 3.043 87 HB3 ARG 74 HB2 ARG 74 7.345 2.015 1.714 88 HG3 ARG 74 HG2 ARG 74 5.839 3.426 3.907 89 HD3 ARG 74 2HD ARG 74 6.719 4.782 1.418 90 HE ARG 74 HE ARG 74 5.738 6.370 2.746 91 HH11 ARG 74 1HH1 ARG 74 7.953 4.486 4.675 92 HH12 ARG 74 2HH1 ARG 74 7.827 5.522 6.057 93 HH21 ARG 74 1HH2 ARG 74 5.571 7.734 4.562 94 HH22 ARG 74 2HH2 ARG 74 6.475 7.367 5.993 95 H THR 75 H THR 75 4.378 1.602 4.482 96 HA THR 75 HA THR 75 5.615 1.420 7.138 97 HB THR 75 HB THR 75 2.942 2.652 6.869 98 HG1 THR 75 1HG THR 75 5.244 3.882 5.761 99 HG21 THR 75 3HG2 THR 75 3.686 3.222 8.903 100 HG22 THR 75 1HG2 THR 75 4.508 4.509 8.022 101 HG23 THR 75 2HG2 THR 75 5.382 3.040 8.455 102 H TYR 76 H TYR 76 3.367 1.255 8.717 103 HA TYR 76 HA TYR 76 2.387 -1.445 8.070 104 HB3 TYR 76 HB2 TYR 76 2.150 -0.402 10.839 105 HD1 TYR 76 1HD TYR 76 3.610 -3.124 8.727 106 HD2 TYR 76 2HD TYR 76 1.396 -2.094 12.211 107 HE1 TYR 76 1HE TYR 76 3.281 -5.511 9.216 108 HE2 TYR 76 2HE TYR 76 1.063 -4.477 12.712 109 HH TYR 76 HH TYR 76 2.207 -6.649 12.184 110 H ASP 77 H ASP 77 1.373 1.538 9.740 111 HA ASP 77 HA ASP 77 -1.124 1.631 8.397 112 HB3 ASP 77 HB2 ASP 77 -1.493 1.092 11.319 113 H ASN 78 H ASN 78 -2.564 3.354 9.346 114 HA ASN 78 HA ASN 78 -1.004 5.357 10.833 115 HB3 ASN 78 HB2 ASN 78 -0.954 6.034 8.511 116 HD21 ASN 78 1HD2 ASN 78 -1.710 5.039 6.766 117 HD22 ASN 78 2HD2 ASN 78 -3.364 5.008 6.270 Start of MODEL 7 1 H SER 57 1H SER 57 -12.953 -2.392 5.109 2 HA SER 57 HA SER 57 -12.476 -0.379 6.050 3 HB3 SER 57 HB2 SER 57 -9.723 -0.536 5.506 4 HG SER 57 HG SER 57 -11.264 -2.027 7.373 5 H ASP 58 H ASP 58 -10.596 1.416 5.885 6 HA ASP 58 HA ASP 58 -11.434 3.229 3.919 7 HB3 ASP 58 HB2 ASP 58 -8.762 3.827 4.859 8 HA PRO 59 HA PRO 59 -9.264 2.493 0.176 9 HB3 PRO 59 HB2 PRO 59 -8.644 4.484 -0.810 10 HG3 PRO 59 HG2 PRO 59 -10.761 4.965 0.025 11 HD3 PRO 59 2HD PRO 59 -11.313 4.544 2.218 12 H LEU 60 H LEU 60 -7.567 3.008 3.050 13 HA LEU 60 HA LEU 60 -4.905 2.757 2.239 14 HB3 LEU 60 HB2 LEU 60 -5.340 3.450 4.464 15 HG LEU 60 HG LEU 60 -7.452 1.727 4.575 16 HD11 LEU 60 1HD1 LEU 60 -7.078 -0.054 5.994 17 HD12 LEU 60 2HD1 LEU 60 -5.574 0.622 6.620 18 HD13 LEU 60 3HD1 LEU 60 -5.625 -0.068 4.997 19 HD21 LEU 60 3HD2 LEU 60 -6.968 3.824 5.885 20 HD22 LEU 60 1HD2 LEU 60 -6.065 2.814 7.016 21 HD23 LEU 60 2HD2 LEU 60 -7.791 2.542 6.774 22 H GLU 61 H GLU 61 -7.297 0.291 3.116 23 HA GLU 61 HA GLU 61 -5.595 -1.929 2.933 24 HB3 GLU 61 HB2 GLU 61 -7.888 -3.094 2.331 25 HG3 GLU 61 HG2 GLU 61 -8.614 -3.001 4.681 26 H GLU 62 H GLU 62 -7.651 -0.375 0.522 27 HA GLU 62 HA GLU 62 -7.077 -2.186 -1.572 28 HB3 GLU 62 HB2 GLU 62 -7.847 -0.322 -3.066 29 HG3 GLU 62 HG2 GLU 62 -9.542 -1.217 -0.764 30 H TYR 63 H TYR 63 -5.400 0.548 -0.253 31 HA TYR 63 HA TYR 63 -3.811 1.209 -2.444 32 HB3 TYR 63 HB2 TYR 63 -2.157 1.511 -0.225 33 HD1 TYR 63 1HD TYR 63 -5.097 3.005 -1.935 34 HD2 TYR 63 2HD TYR 63 -1.205 3.622 -0.356 35 HE1 TYR 63 1HE TYR 63 -5.061 5.242 -2.929 36 HE2 TYR 63 2HE TYR 63 -1.145 5.859 -1.345 37 HH TYR 63 HH TYR 63 -2.810 7.595 -2.086 38 H CYS 64 H CYS 64 -2.863 -0.873 0.323 39 HA CYS 64 HA CYS 64 -0.560 -1.778 -1.011 40 HB3 CYS 64 HB2 CYS 64 -0.931 -3.825 0.680 41 H LYS 65 H LYS 65 -3.879 -2.544 -1.379 42 HA LYS 65 HA LYS 65 -3.587 -5.160 -2.457 43 HB3 LYS 65 HB2 LYS 65 -5.745 -3.086 -2.909 44 HG3 LYS 65 HG2 LYS 65 -6.913 -5.549 -3.196 45 HD3 LYS 65 2HD LYS 65 -7.141 -4.945 -5.562 46 HE3 LYS 65 2HE LYS 65 -8.314 -2.930 -5.283 47 HZ1 LYS 65 3HZ LYS 65 -9.627 -3.420 -3.523 48 HZ2 LYS 65 1HZ LYS 65 -8.335 -3.658 -2.457 49 HZ3 LYS 65 2HZ LYS 65 -8.754 -4.868 -3.563 50 H ASP 66 H ASP 66 -3.564 -1.883 -3.783 51 HA ASP 66 HA ASP 66 -3.038 -2.871 -6.475 52 HB3 ASP 66 HB2 ASP 66 -2.657 0.004 -5.943 53 H ASN 67 H ASN 67 -1.379 -1.376 -3.768 54 HA ASN 67 HA ASN 67 1.217 -1.777 -5.097 55 HB3 ASN 67 HB2 ASN 67 1.983 0.172 -4.070 56 HD21 ASN 67 1HD2 ASN 67 -1.375 0.703 -3.403 57 HD22 ASN 67 2HD2 ASN 67 -1.657 1.799 -4.702 58 HA PRO 68 HA PRO 68 0.700 -4.424 -1.320 59 HB3 PRO 68 HB2 PRO 68 -0.382 -6.031 -2.552 60 HG3 PRO 68 HG2 PRO 68 0.102 -6.372 -4.799 61 HD3 PRO 68 2HD PRO 68 -0.258 -4.116 -4.907 62 H GLU 69 H GLU 69 3.415 -3.483 -3.090 63 HA GLU 69 HA GLU 69 5.046 -5.343 -1.489 64 HB3 GLU 69 HB2 GLU 69 6.906 -4.380 -3.054 65 HG3 GLU 69 HG2 GLU 69 4.799 -6.195 -4.203 66 H THR 70 H THR 70 5.316 -1.829 -2.498 67 HA THR 70 HA THR 70 5.913 -1.293 0.229 68 HB THR 70 HB THR 70 8.101 -2.087 -0.704 69 HG1 THR 70 1HG THR 70 8.482 -0.937 1.037 70 HG21 THR 70 3HG2 THR 70 7.618 -0.528 -2.842 71 HG22 THR 70 1HG2 THR 70 9.225 -1.050 -2.340 72 HG23 THR 70 2HG2 THR 70 8.634 0.547 -1.882 73 H ASN 71 H ASN 71 5.412 -0.033 -2.902 74 HA ASN 71 HA ASN 71 5.757 2.594 -2.507 75 HB3 ASN 71 HB2 ASN 71 4.244 3.052 -4.232 76 HD21 ASN 71 1HD2 ASN 71 3.851 -0.432 -4.193 77 HD22 ASN 71 2HD2 ASN 71 4.892 -0.753 -5.535 78 H GLU 72 H GLU 72 2.961 0.761 -1.583 79 HA GLU 72 HA GLU 72 2.169 2.978 0.189 80 HB3 GLU 72 HB2 GLU 72 -0.071 2.176 0.107 81 HG3 GLU 72 HG2 GLU 72 -0.622 2.232 -2.259 82 H CYS 73 H CYS 73 3.384 -0.115 -0.197 83 HA CYS 73 HA CYS 73 2.633 -0.903 2.407 84 HB3 CYS 73 HB2 CYS 73 4.084 -2.858 1.013 85 H ARG 74 H ARG 74 4.768 1.106 1.891 86 HA ARG 74 HA ARG 74 7.302 -0.046 2.380 87 HB3 ARG 74 HB2 ARG 74 6.342 2.754 3.002 88 HG3 ARG 74 HG2 ARG 74 9.131 1.714 2.544 89 HD3 ARG 74 2HD ARG 74 8.067 4.501 2.976 90 HE ARG 74 HE ARG 74 10.901 4.184 2.618 91 HH11 ARG 74 1HH1 ARG 74 8.320 4.383 4.960 92 HH12 ARG 74 2HH1 ARG 74 9.356 4.915 6.240 93 HH21 ARG 74 1HH2 ARG 74 12.263 4.884 4.301 94 HH22 ARG 74 2HH2 ARG 74 11.594 5.200 5.868 95 H THR 75 H THR 75 4.716 1.041 4.477 96 HA THR 75 HA THR 75 6.349 0.532 6.852 97 HB THR 75 HB THR 75 3.521 1.585 6.745 98 HG1 THR 75 1HG THR 75 4.397 3.619 6.756 99 HG21 THR 75 3HG2 THR 75 3.675 2.095 8.931 100 HG22 THR 75 1HG2 THR 75 5.412 2.385 8.858 101 HG23 THR 75 2HG2 THR 75 4.796 0.733 8.925 102 H TYR 76 H TYR 76 3.599 -0.701 5.084 103 HA TYR 76 HA TYR 76 2.764 -2.533 7.121 104 HB3 TYR 76 HB2 TYR 76 1.937 -3.318 4.464 105 HD1 TYR 76 1HD TYR 76 0.512 -0.887 6.914 106 HD2 TYR 76 2HD TYR 76 0.280 -4.768 5.187 107 HE1 TYR 76 1HE TYR 76 -1.566 -1.310 8.159 108 HE2 TYR 76 2HE TYR 76 -1.799 -5.203 6.426 109 HH TYR 76 HH TYR 76 -2.774 -4.026 8.855 110 H ASP 77 H ASP 77 2.401 -4.922 5.856 111 HA ASP 77 HA ASP 77 5.164 -5.880 5.607 112 HB3 ASP 77 HB2 ASP 77 3.492 -8.106 5.798 113 H ASN 78 H ASN 78 5.392 -7.872 4.167 114 HA ASN 78 HA ASN 78 4.007 -7.331 1.625 115 HB3 ASN 78 HB2 ASN 78 6.064 -8.679 0.721 116 HD21 ASN 78 1HD2 ASN 78 6.401 -5.842 2.830 117 HD22 ASN 78 2HD2 ASN 78 6.788 -4.735 1.562 Start of MODEL 8 1 H SER 57 1H SER 57 -11.280 -2.241 5.439 2 HA SER 57 HA SER 57 -11.905 0.121 5.923 3 HB3 SER 57 HB2 SER 57 -9.769 0.203 6.624 4 HG SER 57 HG SER 57 -9.517 -1.939 6.550 5 H ASP 58 H ASP 58 -10.548 2.205 5.074 6 HA ASP 58 HA ASP 58 -11.942 3.087 2.782 7 HB3 ASP 58 HB2 ASP 58 -9.575 4.666 3.331 8 HA PRO 59 HA PRO 59 -9.603 1.977 -0.761 9 HB3 PRO 59 HB2 PRO 59 -9.664 3.669 -2.322 10 HG3 PRO 59 HG2 PRO 59 -11.822 3.713 -1.453 11 HD3 PRO 59 2HD PRO 59 -12.208 3.853 0.813 12 H LEU 60 H LEU 60 -8.198 3.776 1.710 13 HA LEU 60 HA LEU 60 -5.552 3.993 0.678 14 HB3 LEU 60 HB2 LEU 60 -6.279 5.492 2.417 15 HG LEU 60 HG LEU 60 -7.659 3.550 3.619 16 HD11 LEU 60 1HD1 LEU 60 -5.181 2.715 4.267 17 HD12 LEU 60 2HD1 LEU 60 -6.612 2.414 5.254 18 HD13 LEU 60 3HD1 LEU 60 -5.537 3.756 5.646 19 HD21 LEU 60 3HD2 LEU 60 -7.742 5.017 5.616 20 HD22 LEU 60 1HD2 LEU 60 -7.933 5.892 4.096 21 HD23 LEU 60 2HD2 LEU 60 -6.392 5.938 4.953 22 H GLU 61 H GLU 61 -7.128 1.757 2.945 23 HA GLU 61 HA GLU 61 -4.868 0.195 3.501 24 HB3 GLU 61 HB2 GLU 61 -7.635 -0.963 3.432 25 HG3 GLU 61 HG2 GLU 61 -6.425 -1.387 5.903 26 H GLU 62 H GLU 62 -7.408 -0.194 1.072 27 HA GLU 62 HA GLU 62 -6.557 -2.627 0.001 28 HB3 GLU 62 HB2 GLU 62 -7.652 -1.762 -2.140 29 HG3 GLU 62 HG2 GLU 62 -9.277 -1.667 0.395 30 H TYR 63 H TYR 63 -5.358 0.624 -0.459 31 HA TYR 63 HA TYR 63 -3.918 0.182 -2.832 32 HB3 TYR 63 HB2 TYR 63 -2.362 1.958 -1.417 33 HD1 TYR 63 1HD TYR 63 -5.816 2.119 -2.854 34 HD2 TYR 63 2HD TYR 63 -1.785 3.457 -3.036 35 HE1 TYR 63 1HE TYR 63 -6.363 3.476 -4.827 36 HE2 TYR 63 2HE TYR 63 -2.315 4.817 -5.004 37 HH TYR 63 HH TYR 63 -3.954 4.942 -6.777 38 H CYS 64 H CYS 64 -2.649 0.314 0.516 39 HA CYS 64 HA CYS 64 -0.173 -0.659 -0.191 40 HB3 CYS 64 HB2 CYS 64 -1.158 -1.488 2.495 41 H LYS 65 H LYS 65 -3.126 -2.295 -0.188 42 HA LYS 65 HA LYS 65 -1.946 -4.924 0.086 43 HB3 LYS 65 HB2 LYS 65 -4.727 -3.974 -0.617 44 HG3 LYS 65 HG2 LYS 65 -5.140 -6.533 0.029 45 HD3 LYS 65 2HD LYS 65 -5.413 -6.997 -2.357 46 HE3 LYS 65 2HE LYS 65 -6.221 -4.206 -2.458 47 HZ1 LYS 65 3HZ LYS 65 -7.495 -5.681 -3.685 48 HZ2 LYS 65 1HZ LYS 65 -8.459 -5.413 -2.320 49 HZ3 LYS 65 2HZ LYS 65 -7.557 -6.837 -2.450 50 H ASP 66 H ASP 66 -3.187 -2.782 -2.464 51 HA ASP 66 HA ASP 66 -2.411 -4.705 -4.526 52 HB3 ASP 66 HB2 ASP 66 -3.609 -3.001 -6.008 53 H ASN 67 H ASN 67 -0.814 -2.118 -3.065 54 HA ASN 67 HA ASN 67 0.348 -1.119 -5.513 55 HB3 ASN 67 HB2 ASN 67 1.469 0.480 -3.906 56 HD21 ASN 67 1HD2 ASN 67 -1.885 -0.251 -3.369 57 HD22 ASN 67 2HD2 ASN 67 -2.515 1.112 -4.207 58 HA PRO 68 HA PRO 68 3.576 -4.356 -4.974 59 HB3 PRO 68 HB2 PRO 68 4.109 -4.728 -7.148 60 HG3 PRO 68 HG2 PRO 68 2.110 -4.431 -8.134 61 HD3 PRO 68 2HD PRO 68 0.746 -3.847 -6.421 62 H GLU 69 H GLU 69 3.646 -0.918 -5.646 63 HA GLU 69 HA GLU 69 6.363 -0.683 -4.545 64 HB3 GLU 69 HB2 GLU 69 5.538 1.855 -5.343 65 HG3 GLU 69 HG2 GLU 69 7.709 0.496 -5.797 66 H THR 70 H THR 70 3.040 0.129 -3.974 67 HA THR 70 HA THR 70 3.765 1.424 -1.424 68 HB THR 70 HB THR 70 1.013 1.892 -2.252 69 HG1 THR 70 1HG THR 70 1.481 3.206 -4.014 70 HG21 THR 70 3HG2 THR 70 3.264 3.410 -1.159 71 HG22 THR 70 1HG2 THR 70 1.539 3.503 -0.799 72 HG23 THR 70 2HG2 THR 70 2.189 4.325 -2.217 73 H ASN 71 H ASN 71 2.866 -1.411 -2.595 74 HA ASN 71 HA ASN 71 0.943 -2.060 -0.519 75 HB3 ASN 71 HB2 ASN 71 0.977 -3.155 -2.934 76 HD21 ASN 71 1HD2 ASN 71 3.750 -2.990 -2.656 77 HD22 ASN 71 2HD2 ASN 71 4.424 -4.561 -2.886 78 H GLU 72 H GLU 72 4.084 -1.662 -1.219 79 HA GLU 72 HA GLU 72 5.102 -3.417 0.913 80 HB3 GLU 72 HB2 GLU 72 6.350 -3.431 -1.230 81 HG3 GLU 72 HG2 GLU 72 6.198 -0.531 -0.915 82 H CYS 73 H CYS 73 3.683 -0.562 0.401 83 HA CYS 73 HA CYS 73 5.163 1.356 1.501 84 HB3 CYS 73 HB2 CYS 73 2.755 1.450 0.526 85 H ARG 74 H ARG 74 3.544 -1.225 3.033 86 HA ARG 74 HA ARG 74 4.173 -0.202 5.716 87 HB3 ARG 74 HB2 ARG 74 2.425 -2.540 4.928 88 HG3 ARG 74 HG2 ARG 74 3.149 -2.884 7.166 89 HD3 ARG 74 2HD ARG 74 2.829 0.052 7.362 90 HE ARG 74 HE ARG 74 2.686 -1.257 9.928 91 HH11 ARG 74 1HH1 ARG 74 0.874 0.272 7.366 92 HH12 ARG 74 2HH1 ARG 74 -0.468 0.669 8.384 93 HH21 ARG 74 1HH2 ARG 74 0.922 -0.735 11.266 94 HH22 ARG 74 2HH2 ARG 74 -0.442 0.098 10.598 95 H THR 75 H THR 75 5.017 -2.641 3.411 96 HA THR 75 HA THR 75 6.278 -4.437 5.228 97 HB THR 75 HB THR 75 6.704 -4.088 2.254 98 HG1 THR 75 1HG THR 75 5.122 -5.579 2.011 99 HG21 THR 75 3HG2 THR 75 8.038 -5.857 2.222 100 HG22 THR 75 1HG2 THR 75 7.005 -6.759 3.333 101 HG23 THR 75 2HG2 THR 75 8.205 -5.630 3.964 102 H TYR 76 H TYR 76 7.727 -2.316 2.744 103 HA TYR 76 HA TYR 76 10.350 -2.522 3.686 104 HB3 TYR 76 HB2 TYR 76 9.536 0.038 2.418 105 HD1 TYR 76 1HD TYR 76 11.402 -3.120 1.657 106 HD2 TYR 76 2HD TYR 76 11.498 1.126 1.917 107 HE1 TYR 76 1HE TYR 76 13.753 -3.136 0.939 108 HE2 TYR 76 2HE TYR 76 13.850 1.122 1.198 109 HH TYR 76 HH TYR 76 15.807 -0.616 1.305 110 H ASP 77 H ASP 77 11.471 -0.171 4.170 111 HA ASP 77 HA ASP 77 10.378 0.547 6.783 112 HB3 ASP 77 HB2 ASP 77 12.952 1.714 5.909 113 H ASN 78 H ASN 78 10.850 2.936 7.401 114 HA ASN 78 HA ASN 78 9.675 4.602 5.284 115 HB3 ASN 78 HB2 ASN 78 8.924 6.080 7.095 116 HD21 ASN 78 1HD2 ASN 78 6.937 5.766 8.102 117 HD22 ASN 78 2HD2 ASN 78 6.065 4.281 7.962 Start of MODEL 9 1 H SER 57 1H SER 57 -12.490 -1.269 6.189 2 HA SER 57 HA SER 57 -10.927 -0.431 7.617 3 HB3 SER 57 HB2 SER 57 -8.446 -0.760 6.302 4 HG SER 57 HG SER 57 -8.261 -0.930 8.407 5 H ASP 58 H ASP 58 -8.878 1.147 6.951 6 HA ASP 58 HA ASP 58 -10.090 3.187 5.401 7 HB3 ASP 58 HB2 ASP 58 -7.232 3.548 5.717 8 HA PRO 59 HA PRO 59 -8.894 2.568 1.221 9 HB3 PRO 59 HB2 PRO 59 -8.507 4.594 0.212 10 HG3 PRO 59 HG2 PRO 59 -10.316 5.070 1.599 11 HD3 PRO 59 2HD PRO 59 -10.265 4.604 3.857 12 H LEU 60 H LEU 60 -6.594 2.788 3.636 13 HA LEU 60 HA LEU 60 -4.201 2.587 2.154 14 HB3 LEU 60 HB2 LEU 60 -4.871 1.759 4.974 15 HG LEU 60 HG LEU 60 -2.707 0.728 3.880 16 HD11 LEU 60 1HD1 LEU 60 -0.933 2.067 3.539 17 HD12 LEU 60 2HD1 LEU 60 -1.351 3.142 4.874 18 HD13 LEU 60 3HD1 LEU 60 -2.166 3.310 3.320 19 HD21 LEU 60 3HD2 LEU 60 -3.399 0.594 6.251 20 HD22 LEU 60 1HD2 LEU 60 -2.610 2.145 6.538 21 HD23 LEU 60 2HD2 LEU 60 -1.654 0.747 6.048 22 H GLU 61 H GLU 61 -6.610 0.256 3.080 23 HA GLU 61 HA GLU 61 -5.011 -2.061 2.810 24 HB3 GLU 61 HB2 GLU 61 -7.353 -3.143 2.424 25 HG3 GLU 61 HG2 GLU 61 -7.979 -2.850 4.816 26 H GLU 62 H GLU 62 -7.393 -0.631 0.598 27 HA GLU 62 HA GLU 62 -6.883 -2.393 -1.529 28 HB3 GLU 62 HB2 GLU 62 -8.840 -1.266 -1.909 29 HG3 GLU 62 HG2 GLU 62 -7.536 0.958 -0.554 30 H TYR 63 H TYR 63 -5.214 0.403 -0.403 31 HA TYR 63 HA TYR 63 -3.879 0.978 -2.806 32 HB3 TYR 63 HB2 TYR 63 -2.147 1.799 -0.850 33 HD1 TYR 63 1HD TYR 63 -2.196 2.677 -3.343 34 HD2 TYR 63 2HD TYR 63 -4.903 3.854 -0.293 35 HE1 TYR 63 1HE TYR 63 -2.699 4.698 -4.601 36 HE2 TYR 63 2HE TYR 63 -5.427 5.898 -1.540 37 HH TYR 63 HH TYR 63 -4.489 6.368 -4.786 38 H CYS 64 H CYS 64 -2.613 -0.786 0.083 39 HA CYS 64 HA CYS 64 -0.263 -1.533 -1.255 40 HB3 CYS 64 HB2 CYS 64 -1.656 -3.080 0.959 41 H LYS 65 H LYS 65 -3.513 -2.561 -1.643 42 HA LYS 65 HA LYS 65 -2.934 -5.112 -2.817 43 HB3 LYS 65 HB2 LYS 65 -5.371 -3.323 -2.990 44 HG3 LYS 65 HG2 LYS 65 -5.340 -6.227 -3.718 45 HD3 LYS 65 2HD LYS 65 -7.491 -5.222 -3.121 46 HE3 LYS 65 2HE LYS 65 -6.721 -3.235 -5.239 47 HZ1 LYS 65 3HZ LYS 65 -9.445 -3.640 -4.130 48 HZ2 LYS 65 1HZ LYS 65 -8.973 -4.083 -5.694 49 HZ3 LYS 65 2HZ LYS 65 -8.971 -2.453 -5.238 50 H ASP 66 H ASP 66 -3.456 -1.797 -3.923 51 HA ASP 66 HA ASP 66 -3.070 -2.412 -6.714 52 HB3 ASP 66 HB2 ASP 66 -2.491 0.347 -5.902 53 H ASN 67 H ASN 67 -1.157 -1.442 -3.983 54 HA ASN 67 HA ASN 67 1.345 -1.660 -5.504 55 HB3 ASN 67 HB2 ASN 67 2.247 -0.062 -3.949 56 HD21 ASN 67 1HD2 ASN 67 -1.181 0.545 -3.999 57 HD22 ASN 67 2HD2 ASN 67 -1.113 1.872 -5.097 58 HA PRO 68 HA PRO 68 0.494 -5.357 -2.759 59 HB3 PRO 68 HB2 PRO 68 0.935 -7.135 -4.123 60 HG3 PRO 68 HG2 PRO 68 -0.465 -5.896 -5.477 61 HD3 PRO 68 2HD PRO 68 -0.114 -3.666 -5.814 62 H GLU 69 H GLU 69 3.542 -3.770 -3.592 63 HA GLU 69 HA GLU 69 4.757 -5.550 -1.573 64 HB3 GLU 69 HB2 GLU 69 6.874 -4.214 -2.644 65 HG3 GLU 69 HG2 GLU 69 6.488 -6.703 -2.404 66 H THR 70 H THR 70 5.156 -1.973 -2.329 67 HA THR 70 HA THR 70 5.139 -1.597 0.516 68 HB THR 70 HB THR 70 7.478 -2.282 -0.015 69 HG1 THR 70 1HG THR 70 8.024 0.181 0.872 70 HG21 THR 70 3HG2 THR 70 7.576 0.369 -1.434 71 HG22 THR 70 1HG2 THR 70 7.792 -1.224 -2.160 72 HG23 THR 70 2HG2 THR 70 8.975 -0.613 -1.003 73 H ASN 71 H ASN 71 5.245 -0.191 -2.602 74 HA ASN 71 HA ASN 71 5.453 2.406 -2.174 75 HB3 ASN 71 HB2 ASN 71 4.196 2.861 -4.075 76 HD21 ASN 71 1HD2 ASN 71 3.872 -0.660 -3.815 77 HD22 ASN 71 2HD2 ASN 71 4.946 -1.025 -5.120 78 H GLU 72 H GLU 72 2.605 0.540 -1.427 79 HA GLU 72 HA GLU 72 1.606 2.861 0.102 80 HB3 GLU 72 HB2 GLU 72 -0.572 1.897 0.011 81 HG3 GLU 72 HG2 GLU 72 -0.915 1.625 -2.451 82 H CYS 73 H CYS 73 2.945 -0.206 0.099 83 HA CYS 73 HA CYS 73 1.939 -0.861 2.618 84 HB3 CYS 73 HB2 CYS 73 3.958 -2.612 1.655 85 H ARG 74 H ARG 74 4.002 1.366 2.114 86 HA ARG 74 HA ARG 74 5.950 0.524 4.157 87 HB3 ARG 74 HB2 ARG 74 6.375 2.927 2.423 88 HG3 ARG 74 HG2 ARG 74 8.476 0.939 3.093 89 HD3 ARG 74 2HD ARG 74 8.265 3.868 2.557 90 HE ARG 74 HE ARG 74 9.857 4.261 4.135 91 HH11 ARG 74 1HH1 ARG 74 10.425 1.092 2.790 92 HH12 ARG 74 2HH1 ARG 74 11.888 0.838 3.681 93 HH21 ARG 74 1HH2 ARG 74 11.783 3.931 5.305 94 HH22 ARG 74 2HH2 ARG 74 12.659 2.450 5.108 95 H THR 75 H THR 75 3.891 3.123 3.002 96 HA THR 75 HA THR 75 3.204 3.961 5.643 97 HB THR 75 HB THR 75 4.541 6.104 4.028 98 HG1 THR 75 1HG THR 75 6.170 4.620 4.234 99 HG21 THR 75 3HG2 THR 75 5.142 6.579 6.617 100 HG22 THR 75 1HG2 THR 75 3.570 5.796 6.773 101 HG23 THR 75 2HG2 THR 75 3.741 7.241 5.778 102 H TYR 76 H TYR 76 1.856 6.126 5.420 103 HA TYR 76 HA TYR 76 -0.334 5.609 3.806 104 HB3 TYR 76 HB2 TYR 76 0.393 8.426 4.558 105 HD1 TYR 76 1HD TYR 76 -1.305 8.457 2.475 106 HD2 TYR 76 2HD TYR 76 -2.279 7.219 6.427 107 HE1 TYR 76 1HE TYR 76 -3.679 8.921 2.030 108 HE2 TYR 76 2HE TYR 76 -4.654 7.679 5.993 109 HH TYR 76 HH TYR 76 -5.973 7.964 3.089 110 H ASP 77 H ASP 77 2.503 7.591 3.145 111 HA ASP 77 HA ASP 77 3.317 8.534 1.246 112 HB3 ASP 77 HB2 ASP 77 1.654 6.308 0.070 113 H ASN 78 H ASN 78 2.766 9.813 -0.688 114 HA ASN 78 HA ASN 78 -0.013 10.787 -0.633 115 HB3 ASN 78 HB2 ASN 78 2.392 12.555 -1.087 116 HD21 ASN 78 1HD2 ASN 78 0.922 14.351 0.816 117 HD22 ASN 78 2HD2 ASN 78 -0.299 15.098 -0.153 Start of MODEL 10 1 H SER 57 1H SER 57 -10.789 -1.358 7.007 2 HA SER 57 HA SER 57 -11.340 1.063 7.084 3 HB3 SER 57 HB2 SER 57 -8.916 1.277 5.710 4 HG SER 57 HG SER 57 -9.388 1.926 7.888 5 H ASP 58 H ASP 58 -10.317 2.920 5.578 6 HA ASP 58 HA ASP 58 -12.157 3.284 3.474 7 HB3 ASP 58 HB2 ASP 58 -9.821 4.954 3.161 8 HA PRO 59 HA PRO 59 -10.521 1.437 -0.160 9 HB3 PRO 59 HB2 PRO 59 -10.959 2.760 -1.992 10 HG3 PRO 59 HG2 PRO 59 -12.905 2.986 -0.738 11 HD3 PRO 59 2HD PRO 59 -12.846 3.594 1.481 12 H LEU 60 H LEU 60 -8.737 3.715 1.552 13 HA LEU 60 HA LEU 60 -6.359 3.696 -0.024 14 HB3 LEU 60 HB2 LEU 60 -6.815 5.565 1.425 15 HG LEU 60 HG LEU 60 -7.820 3.952 3.304 16 HD11 LEU 60 1HD1 LEU 60 -6.410 3.334 4.970 17 HD12 LEU 60 2HD1 LEU 60 -5.300 4.674 4.682 18 HD13 LEU 60 3HD1 LEU 60 -5.271 3.263 3.625 19 HD21 LEU 60 3HD2 LEU 60 -6.503 6.337 4.431 20 HD22 LEU 60 1HD2 LEU 60 -8.200 5.860 4.448 21 HD23 LEU 60 2HD2 LEU 60 -7.510 6.607 3.008 22 H GLU 61 H GLU 61 -7.619 1.749 2.585 23 HA GLU 61 HA GLU 61 -5.236 0.525 3.415 24 HB3 GLU 61 HB2 GLU 61 -7.934 -0.813 3.388 25 HG3 GLU 61 HG2 GLU 61 -6.223 -0.925 5.765 26 H GLU 62 H GLU 62 -7.625 -0.493 1.013 27 HA GLU 62 HA GLU 62 -6.385 -2.892 0.271 28 HB3 GLU 62 HB2 GLU 62 -7.584 -2.470 -1.964 29 HG3 GLU 62 HG2 GLU 62 -9.296 -2.365 0.510 30 H TYR 63 H TYR 63 -5.719 0.415 -0.574 31 HA TYR 63 HA TYR 63 -4.251 -0.012 -2.917 32 HB3 TYR 63 HB2 TYR 63 -2.971 2.099 -1.657 33 HD1 TYR 63 1HD TYR 63 -6.347 1.531 -3.151 34 HD2 TYR 63 2HD TYR 63 -2.611 3.545 -3.392 35 HE1 TYR 63 1HE TYR 63 -7.057 2.579 -5.252 36 HE2 TYR 63 2HE TYR 63 -3.307 4.602 -5.492 37 HH TYR 63 HH TYR 63 -4.882 4.272 -7.292 38 H CYS 64 H CYS 64 -2.959 0.536 0.382 39 HA CYS 64 HA CYS 64 -0.361 -0.066 -0.262 40 HB3 CYS 64 HB2 CYS 64 -0.483 -1.009 2.320 41 H LYS 65 H LYS 65 -3.047 -2.160 0.094 42 HA LYS 65 HA LYS 65 -1.439 -4.562 0.256 43 HB3 LYS 65 HB2 LYS 65 -4.410 -4.106 -0.050 44 HG3 LYS 65 HG2 LYS 65 -3.897 -6.690 0.947 45 HD3 LYS 65 2HD LYS 65 -5.904 -5.926 -0.271 46 HE3 LYS 65 2HE LYS 65 -3.988 -5.891 -2.587 47 HZ1 LYS 65 3HZ LYS 65 -5.678 -6.969 -3.633 48 HZ2 LYS 65 1HZ LYS 65 -6.251 -5.384 -3.779 49 HZ3 LYS 65 2HZ LYS 65 -6.871 -6.399 -2.577 50 H ASP 66 H ASP 66 -3.003 -2.618 -2.193 51 HA ASP 66 HA ASP 66 -2.792 -4.704 -4.195 52 HB3 ASP 66 HB2 ASP 66 -3.509 -2.058 -5.182 53 H ASN 67 H ASN 67 -1.036 -1.654 -3.501 54 HA ASN 67 HA ASN 67 0.503 -2.130 -5.907 55 HB3 ASN 67 HB2 ASN 67 1.006 0.108 -6.014 56 HD21 ASN 67 1HD2 ASN 67 -1.550 0.061 -3.619 57 HD22 ASN 67 2HD2 ASN 67 -2.789 0.589 -4.691 58 HA PRO 68 HA PRO 68 3.438 -4.004 -3.037 59 HB3 PRO 68 HB2 PRO 68 3.352 -5.932 -4.240 60 HG3 PRO 68 HG2 PRO 68 2.565 -5.915 -6.425 61 HD3 PRO 68 2HD PRO 68 0.955 -4.674 -5.304 62 H GLU 69 H GLU 69 3.787 -1.600 -5.408 63 HA GLU 69 HA GLU 69 6.659 -1.545 -5.482 64 HB3 GLU 69 HB2 GLU 69 5.550 1.028 -6.075 65 HG3 GLU 69 HG2 GLU 69 6.751 -1.184 -7.689 66 H THR 70 H THR 70 4.205 0.439 -3.878 67 HA THR 70 HA THR 70 6.033 0.924 -1.644 68 HB THR 70 HB THR 70 4.612 3.143 -3.162 69 HG1 THR 70 1HG THR 70 6.512 2.730 -4.162 70 HG21 THR 70 3HG2 THR 70 6.069 3.189 -0.548 71 HG22 THR 70 1HG2 THR 70 4.467 3.815 -0.931 72 HG23 THR 70 2HG2 THR 70 5.901 4.624 -1.560 73 H ASN 71 H ASN 71 2.790 0.760 -2.952 74 HA ASN 71 HA ASN 71 1.456 1.370 -0.532 75 HB3 ASN 71 HB2 ASN 71 -0.146 -0.475 -1.828 76 HD21 ASN 71 1HD2 ASN 71 -0.197 1.826 -0.187 77 HD22 ASN 71 2HD2 ASN 71 -1.213 3.000 -0.938 78 H GLU 72 H GLU 72 3.427 -0.999 -1.668 79 HA GLU 72 HA GLU 72 2.906 -3.256 -0.037 80 HB3 GLU 72 HB2 GLU 72 4.472 -2.901 -2.167 81 HG3 GLU 72 HG2 GLU 72 6.018 -1.492 -0.460 82 H CYS 73 H CYS 73 3.221 -0.289 0.660 83 HA CYS 73 HA CYS 73 5.212 0.595 1.964 84 HB3 CYS 73 HB2 CYS 73 3.046 1.750 1.660 85 H ARG 74 H ARG 74 4.965 -2.124 2.616 86 HA ARG 74 HA ARG 74 4.422 -2.419 5.444 87 HB3 ARG 74 HB2 ARG 74 5.756 -4.383 3.575 88 HG3 ARG 74 HG2 ARG 74 5.415 -4.540 6.317 89 HD3 ARG 74 2HD ARG 74 2.927 -4.999 5.457 90 HE ARG 74 HE ARG 74 4.235 -7.319 4.576 91 HH11 ARG 74 1HH1 ARG 74 1.421 -6.363 6.402 92 HH12 ARG 74 2HH1 ARG 74 0.514 -7.779 5.984 93 HH21 ARG 74 1HH2 ARG 74 3.042 -9.177 4.018 94 HH22 ARG 74 2HH2 ARG 74 1.435 -9.376 4.629 95 H THR 75 H THR 75 7.091 -1.567 3.483 96 HA THR 75 HA THR 75 9.235 -1.008 3.915 97 HB THR 75 HB THR 75 7.916 -0.793 6.569 98 HG1 THR 75 1HG THR 75 7.939 0.844 4.858 99 HG21 THR 75 3HG2 THR 75 9.856 -1.348 7.607 100 HG22 THR 75 1HG2 THR 75 10.220 0.338 7.234 101 HG23 THR 75 2HG2 THR 75 10.850 -0.948 6.206 102 H TYR 76 H TYR 76 8.710 -2.925 6.862 103 HA TYR 76 HA TYR 76 11.085 -4.261 6.883 104 HB3 TYR 76 HB2 TYR 76 8.870 -5.997 7.699 105 HD1 TYR 76 1HD TYR 76 11.188 -7.188 7.915 106 HD2 TYR 76 2HD TYR 76 9.964 -3.895 10.313 107 HE1 TYR 76 1HE TYR 76 12.851 -7.817 9.615 108 HE2 TYR 76 2HE TYR 76 11.624 -4.511 12.019 109 HH TYR 76 HH TYR 76 12.894 -6.426 12.747 110 H ASP 77 H ASP 77 8.155 -6.047 5.908 111 HA ASP 77 HA ASP 77 9.576 -8.058 4.569 112 HB3 ASP 77 HB2 ASP 77 6.980 -7.843 3.413 113 H ASN 78 H ASN 78 10.071 -8.414 2.431 114 HA ASN 78 HA ASN 78 9.853 -6.061 0.673 115 HB3 ASN 78 HB2 ASN 78 11.838 -8.189 0.075 116 HD21 ASN 78 1HD2 ASN 78 12.008 -4.814 1.110 117 HD22 ASN 78 2HD2 ASN 78 12.633 -4.205 -0.381 Start of MODEL 11 1 H SER 57 1H SER 57 -12.235 -1.259 4.000 2 HA SER 57 HA SER 57 -12.455 0.392 6.413 3 HB3 SER 57 HB2 SER 57 -9.739 -0.015 5.810 4 HG SER 57 HG SER 57 -10.436 0.222 7.901 5 H ASP 58 H ASP 58 -10.433 2.005 6.027 6 HA ASP 58 HA ASP 58 -11.211 3.700 3.928 7 HB3 ASP 58 HB2 ASP 58 -8.470 4.159 4.754 8 HA PRO 59 HA PRO 59 -9.203 2.451 0.226 9 HB3 PRO 59 HB2 PRO 59 -8.523 4.292 -0.976 10 HG3 PRO 59 HG2 PRO 59 -10.573 4.982 -0.120 11 HD3 PRO 59 2HD PRO 59 -11.050 4.843 2.129 12 H LEU 60 H LEU 60 -7.413 3.136 2.996 13 HA LEU 60 HA LEU 60 -4.779 2.737 2.215 14 HB3 LEU 60 HB2 LEU 60 -6.010 1.800 4.805 15 HG LEU 60 HG LEU 60 -3.660 1.128 4.578 16 HD11 LEU 60 1HD1 LEU 60 -1.913 2.837 4.424 17 HD12 LEU 60 2HD1 LEU 60 -3.149 4.075 4.195 18 HD13 LEU 60 3HD1 LEU 60 -2.931 2.811 2.985 19 HD21 LEU 60 3HD2 LEU 60 -4.428 3.257 6.535 20 HD22 LEU 60 1HD2 LEU 60 -2.805 2.567 6.557 21 HD23 LEU 60 2HD2 LEU 60 -4.210 1.525 6.792 22 H GLU 61 H GLU 61 -7.258 0.365 3.094 23 HA GLU 61 HA GLU 61 -5.608 -1.907 2.993 24 HB3 GLU 61 HB2 GLU 61 -8.518 -1.955 2.248 25 HG3 GLU 61 HG2 GLU 61 -8.045 -3.868 4.159 26 H GLU 62 H GLU 62 -7.686 -0.441 0.540 27 HA GLU 62 HA GLU 62 -7.078 -2.289 -1.506 28 HB3 GLU 62 HB2 GLU 62 -7.843 -0.420 -3.042 29 HG3 GLU 62 HG2 GLU 62 -9.779 -0.966 -0.807 30 H TYR 63 H TYR 63 -5.444 0.498 -0.254 31 HA TYR 63 HA TYR 63 -3.865 1.155 -2.445 32 HB3 TYR 63 HB2 TYR 63 -2.201 1.474 -0.237 33 HD1 TYR 63 1HD TYR 63 -5.162 2.923 -1.943 34 HD2 TYR 63 2HD TYR 63 -1.285 3.604 -0.356 35 HE1 TYR 63 1HE TYR 63 -5.161 5.161 -2.939 36 HE2 TYR 63 2HE TYR 63 -1.256 5.841 -1.353 37 HH TYR 63 HH TYR 63 -3.618 6.876 -3.628 38 H CYS 64 H CYS 64 -2.887 -0.919 0.317 39 HA CYS 64 HA CYS 64 -0.577 -1.798 -1.019 40 HB3 CYS 64 HB2 CYS 64 -0.926 -3.850 0.670 41 H LYS 65 H LYS 65 -3.887 -2.606 -1.390 42 HA LYS 65 HA LYS 65 -3.562 -5.219 -2.466 43 HB3 LYS 65 HB2 LYS 65 -5.744 -3.176 -2.959 44 HG3 LYS 65 HG2 LYS 65 -6.371 -6.034 -3.153 45 HD3 LYS 65 2HD LYS 65 -7.970 -4.151 -3.540 46 HE3 LYS 65 2HE LYS 65 -6.531 -2.582 -4.677 47 HZ1 LYS 65 3HZ LYS 65 -6.185 -3.304 -7.193 48 HZ2 LYS 65 1HZ LYS 65 -6.067 -4.830 -6.468 49 HZ3 LYS 65 2HZ LYS 65 -5.022 -3.586 -5.998 50 H ASP 66 H ASP 66 -3.573 -1.942 -3.798 51 HA ASP 66 HA ASP 66 -3.028 -2.929 -6.486 52 HB3 ASP 66 HB2 ASP 66 -2.659 -0.257 -6.691 53 H ASN 67 H ASN 67 -1.396 -1.405 -3.779 54 HA ASN 67 HA ASN 67 1.208 -1.772 -5.102 55 HB3 ASN 67 HB2 ASN 67 1.943 0.190 -4.077 56 HD21 ASN 67 1HD2 ASN 67 -1.420 0.675 -3.408 57 HD22 ASN 67 2HD2 ASN 67 -1.719 1.767 -4.706 58 HA PRO 68 HA PRO 68 0.723 -4.420 -1.322 59 HB3 PRO 68 HB2 PRO 68 -0.340 -6.043 -2.552 60 HG3 PRO 68 HG2 PRO 68 0.154 -6.382 -4.798 61 HD3 PRO 68 2HD PRO 68 -0.235 -4.132 -4.912 62 H GLU 69 H GLU 69 3.424 -3.448 -3.092 63 HA GLU 69 HA GLU 69 5.079 -5.288 -1.491 64 HB3 GLU 69 HB2 GLU 69 6.939 -4.382 -3.037 65 HG3 GLU 69 HG2 GLU 69 4.828 -5.937 -4.483 66 H THR 70 H THR 70 5.303 -1.768 -2.496 67 HA THR 70 HA THR 70 5.902 -1.229 0.229 68 HB THR 70 HB THR 70 8.096 -1.993 -0.715 69 HG1 THR 70 1HG THR 70 8.522 -0.842 1.003 70 HG21 THR 70 3HG2 THR 70 9.363 -0.642 -2.145 71 HG22 THR 70 1HG2 THR 70 8.212 0.690 -2.044 72 HG23 THR 70 2HG2 THR 70 7.782 -0.782 -2.915 73 H ASN 71 H ASN 71 5.371 0.031 -2.894 74 HA ASN 71 HA ASN 71 5.679 2.663 -2.494 75 HB3 ASN 71 HB2 ASN 71 4.159 3.102 -4.217 76 HD21 ASN 71 1HD2 ASN 71 3.816 -0.386 -4.190 77 HD22 ASN 71 2HD2 ASN 71 4.863 -0.688 -5.532 78 H GLU 72 H GLU 72 2.910 0.787 -1.579 79 HA GLU 72 HA GLU 72 2.084 2.984 0.202 80 HB3 GLU 72 HB2 GLU 72 -0.144 2.157 0.111 81 HG3 GLU 72 HG2 GLU 72 -0.693 2.209 -2.255 82 H CYS 73 H CYS 73 3.346 -0.087 -0.195 83 HA CYS 73 HA CYS 73 2.607 -0.895 2.410 84 HB3 CYS 73 HB2 CYS 73 4.079 -2.828 1.009 85 H ARG 74 H ARG 74 4.698 1.148 1.915 86 HA ARG 74 HA ARG 74 7.280 0.165 2.264 87 HB3 ARG 74 HB2 ARG 74 6.085 2.745 3.292 88 HG3 ARG 74 HG2 ARG 74 8.313 2.149 4.294 89 HD3 ARG 74 2HD ARG 74 8.922 1.721 1.510 90 HE ARG 74 HE ARG 74 9.944 4.119 2.207 91 HH11 ARG 74 1HH1 ARG 74 11.394 0.984 1.697 92 HH12 ARG 74 2HH1 ARG 74 12.907 1.634 1.159 93 HH21 ARG 74 1HH2 ARG 74 11.934 4.973 1.500 94 HH22 ARG 74 2HH2 ARG 74 13.214 3.897 1.047 95 H THR 75 H THR 75 4.690 0.603 4.566 96 HA THR 75 HA THR 75 6.439 0.060 6.828 97 HB THR 75 HB THR 75 3.486 0.164 7.157 98 HG1 THR 75 1HG THR 75 3.427 2.365 6.886 99 HG21 THR 75 3HG2 THR 75 5.863 0.787 8.729 100 HG22 THR 75 1HG2 THR 75 4.248 0.305 9.246 101 HG23 THR 75 2HG2 THR 75 4.580 1.992 8.848 102 H TYR 76 H TYR 76 5.497 -1.555 8.486 103 HA TYR 76 HA TYR 76 5.025 -4.063 7.044 104 HB3 TYR 76 HB2 TYR 76 5.787 -3.742 9.949 105 HD1 TYR 76 1HD TYR 76 6.930 -5.904 7.141 106 HD2 TYR 76 2HD TYR 76 4.994 -5.709 10.924 107 HE1 TYR 76 1HE TYR 76 6.903 -8.360 7.247 108 HE2 TYR 76 2HE TYR 76 4.963 -8.166 11.041 109 HH TYR 76 HH TYR 76 5.714 -10.144 8.345 110 H ASP 77 H ASP 77 4.033 -2.682 10.184 111 HA ASP 77 HA ASP 77 1.285 -3.542 9.622 112 HB3 ASP 77 HB2 ASP 77 2.335 -3.922 12.393 113 H ASN 78 H ASN 78 -0.327 -2.463 10.927 114 HA ASN 78 HA ASN 78 0.616 0.034 12.165 115 HB3 ASN 78 HB2 ASN 78 -1.909 -0.071 10.528 116 HD21 ASN 78 1HD2 ASN 78 -2.760 1.411 12.014 117 HD22 ASN 78 2HD2 ASN 78 -2.213 3.049 12.068 Start of MODEL 12 1 H SER 57 1H SER 57 -11.919 -1.295 5.616 2 HA SER 57 HA SER 57 -12.006 1.149 6.081 3 HB3 SER 57 HB2 SER 57 -9.892 0.734 6.723 4 HG SER 57 HG SER 57 -10.145 -1.424 6.535 5 H ASP 58 H ASP 58 -10.209 2.851 5.124 6 HA ASP 58 HA ASP 58 -11.488 3.959 2.833 7 HB3 ASP 58 HB2 ASP 58 -8.919 5.158 3.320 8 HA PRO 59 HA PRO 59 -9.347 2.391 -0.666 9 HB3 PRO 59 HB2 PRO 59 -9.123 4.035 -2.261 10 HG3 PRO 59 HG2 PRO 59 -11.245 4.461 -1.407 11 HD3 PRO 59 2HD PRO 59 -11.608 4.718 0.852 12 H LEU 60 H LEU 60 -7.682 3.976 1.785 13 HA LEU 60 HA LEU 60 -5.030 3.786 0.790 14 HB3 LEU 60 HB2 LEU 60 -4.319 4.368 2.988 15 HG LEU 60 HG LEU 60 -6.992 5.693 2.527 16 HD11 LEU 60 1HD1 LEU 60 -5.788 7.525 3.906 17 HD12 LEU 60 2HD1 LEU 60 -4.805 6.190 4.503 18 HD13 LEU 60 3HD1 LEU 60 -6.553 6.176 4.745 19 HD21 LEU 60 3HD2 LEU 60 -5.388 5.970 0.691 20 HD22 LEU 60 1HD2 LEU 60 -4.195 6.584 1.836 21 HD23 LEU 60 2HD2 LEU 60 -5.681 7.486 1.544 22 H GLU 61 H GLU 61 -7.028 1.716 2.849 23 HA GLU 61 HA GLU 61 -5.048 -0.150 3.521 24 HB3 GLU 61 HB2 GLU 61 -8.029 -0.538 3.238 25 HG3 GLU 61 HG2 GLU 61 -7.232 -2.184 5.253 26 H GLU 62 H GLU 62 -7.516 -0.325 0.977 27 HA GLU 62 HA GLU 62 -6.674 -2.735 -0.150 28 HB3 GLU 62 HB2 GLU 62 -7.744 -1.848 -2.268 29 HG3 GLU 62 HG2 GLU 62 -8.972 -2.605 0.150 30 H TYR 63 H TYR 63 -5.412 0.498 -0.444 31 HA TYR 63 HA TYR 63 -3.955 0.136 -2.825 32 HB3 TYR 63 HB2 TYR 63 -2.401 1.839 -1.316 33 HD1 TYR 63 1HD TYR 63 -5.831 2.111 -2.798 34 HD2 TYR 63 2HD TYR 63 -1.770 3.369 -2.887 35 HE1 TYR 63 1HE TYR 63 -6.325 3.545 -4.729 36 HE2 TYR 63 2HE TYR 63 -2.249 4.805 -4.817 37 HH TYR 63 HH TYR 63 -4.117 5.902 -5.884 38 H CYS 64 H CYS 64 -2.729 0.107 0.542 39 HA CYS 64 HA CYS 64 -0.258 -0.864 -0.182 40 HB3 CYS 64 HB2 CYS 64 -1.231 -1.826 2.450 41 H LYS 65 H LYS 65 -3.228 -2.466 -0.281 42 HA LYS 65 HA LYS 65 -2.084 -5.119 -0.102 43 HB3 LYS 65 HB2 LYS 65 -4.840 -4.116 -0.850 44 HG3 LYS 65 HG2 LYS 65 -4.412 -6.966 -0.166 45 HD3 LYS 65 2HD LYS 65 -6.665 -6.062 -0.433 46 HE3 LYS 65 2HE LYS 65 -5.483 -4.920 -2.854 47 HZ1 LYS 65 3HZ LYS 65 -7.976 -5.074 -3.749 48 HZ2 LYS 65 1HZ LYS 65 -7.844 -6.605 -3.039 49 HZ3 LYS 65 2HZ LYS 65 -6.752 -6.134 -4.243 50 H ASP 66 H ASP 66 -3.259 -2.863 -2.591 51 HA ASP 66 HA ASP 66 -2.442 -4.712 -4.708 52 HB3 ASP 66 HB2 ASP 66 -3.587 -2.890 -6.137 53 H ASN 67 H ASN 67 -0.885 -2.171 -3.123 54 HA ASN 67 HA ASN 67 0.322 -1.099 -5.516 55 HB3 ASN 67 HB2 ASN 67 1.383 0.478 -3.858 56 HD21 ASN 67 1HD2 ASN 67 -1.959 -0.318 -3.355 57 HD22 ASN 67 2HD2 ASN 67 -2.608 1.053 -4.167 58 HA PRO 68 HA PRO 68 3.582 -4.300 -4.986 59 HB3 PRO 68 HB2 PRO 68 4.141 -4.634 -7.157 60 HG3 PRO 68 HG2 PRO 68 2.168 -4.320 -8.188 61 HD3 PRO 68 2HD PRO 68 0.765 -3.802 -6.481 62 H GLU 69 H GLU 69 3.601 -0.850 -5.602 63 HA GLU 69 HA GLU 69 6.296 -0.576 -4.462 64 HB3 GLU 69 HB2 GLU 69 5.496 1.957 -5.202 65 HG3 GLU 69 HG2 GLU 69 6.626 1.031 -7.517 66 H THR 70 H THR 70 2.948 0.148 -3.915 67 HA THR 70 HA THR 70 3.615 1.391 -1.323 68 HB THR 70 HB THR 70 0.864 1.824 -2.190 69 HG1 THR 70 1HG THR 70 2.935 2.915 -3.790 70 HG21 THR 70 3HG2 THR 70 2.051 4.276 -2.037 71 HG22 THR 70 1HG2 THR 70 3.020 3.310 -0.924 72 HG23 THR 70 2HG2 THR 70 1.274 3.423 -0.704 73 H ASN 71 H ASN 71 2.805 -1.432 -2.563 74 HA ASN 71 HA ASN 71 0.860 -2.178 -0.536 75 HB3 ASN 71 HB2 ASN 71 0.971 -3.218 -2.977 76 HD21 ASN 71 1HD2 ASN 71 3.728 -2.978 -2.660 77 HD22 ASN 71 2HD2 ASN 71 4.452 -4.525 -2.900 78 H GLU 72 H GLU 72 3.988 -1.680 -1.200 79 HA GLU 72 HA GLU 72 5.058 -3.397 0.935 80 HB3 GLU 72 HB2 GLU 72 6.305 -3.389 -1.209 81 HG3 GLU 72 HG2 GLU 72 6.275 -0.453 -0.793 82 H CYS 73 H CYS 73 3.516 -0.621 0.446 83 HA CYS 73 HA CYS 73 4.908 1.388 1.465 84 HB3 CYS 73 HB2 CYS 73 2.481 1.365 0.599 85 H ARG 74 H ARG 74 3.644 -1.299 3.120 86 HA ARG 74 HA ARG 74 3.425 -0.464 5.749 87 HB3 ARG 74 HB2 ARG 74 4.552 -3.091 4.759 88 HG3 ARG 74 HG2 ARG 74 2.951 -3.271 7.135 89 HD3 ARG 74 2HD ARG 74 5.595 -3.980 7.698 90 HE ARG 74 HE ARG 74 4.154 -5.675 8.253 91 HH11 ARG 74 1HH1 ARG 74 3.871 -5.007 4.839 92 HH12 ARG 74 2HH1 ARG 74 2.886 -6.394 4.522 93 HH21 ARG 74 1HH2 ARG 74 2.858 -7.502 7.837 94 HH22 ARG 74 2HH2 ARG 74 2.310 -7.811 6.223 95 H THR 75 H THR 75 6.259 -0.900 3.806 96 HA THR 75 HA THR 75 7.953 -0.194 6.112 97 HB THR 75 HB THR 75 9.232 -1.425 3.739 98 HG1 THR 75 1HG THR 75 8.450 -3.398 4.043 99 HG21 THR 75 3HG2 THR 75 9.912 -0.985 6.423 100 HG22 THR 75 1HG2 THR 75 10.861 -1.802 5.179 101 HG23 THR 75 2HG2 THR 75 9.779 -2.733 6.216 102 H TYR 76 H TYR 76 10.268 0.378 4.525 103 HA TYR 76 HA TYR 76 9.419 2.956 3.446 104 HB3 TYR 76 HB2 TYR 76 12.282 2.091 3.744 105 HD1 TYR 76 1HD TYR 76 10.165 4.933 4.913 106 HD2 TYR 76 2HD TYR 76 13.410 3.672 2.468 107 HE1 TYR 76 1HE TYR 76 10.652 7.279 4.361 108 HE2 TYR 76 2HE TYR 76 13.906 6.015 1.909 109 HH TYR 76 HH TYR 76 13.533 8.224 2.723 110 H ASP 77 H ASP 77 11.902 0.574 2.490 111 HA ASP 77 HA ASP 77 10.856 0.246 -0.130 112 HB3 ASP 77 HB2 ASP 77 13.487 1.653 -0.225 113 H ASN 78 H ASN 78 12.631 -0.815 -1.587 114 HA ASN 78 HA ASN 78 13.985 -2.608 -1.927 115 HB3 ASN 78 HB2 ASN 78 15.339 -2.290 0.704 116 HD21 ASN 78 1HD2 ASN 78 17.505 -1.078 -1.079 117 HD22 ASN 78 2HD2 ASN 78 18.213 -2.455 -1.845 Start of MODEL 13 1 H SER 57 1H SER 57 -13.276 -1.608 1.420 2 HA SER 57 HA SER 57 -12.818 -1.526 3.797 3 HB3 SER 57 HB2 SER 57 -10.963 -2.490 4.625 4 HG SER 57 HG SER 57 -11.268 -4.025 2.968 5 H ASP 58 H ASP 58 -10.917 0.130 4.606 6 HA ASP 58 HA ASP 58 -11.497 2.557 3.251 7 HB3 ASP 58 HB2 ASP 58 -9.196 2.735 5.009 8 HA PRO 59 HA PRO 59 -8.393 3.102 0.190 9 HB3 PRO 59 HB2 PRO 59 -7.774 5.319 0.076 10 HG3 PRO 59 HG2 PRO 59 -10.070 5.454 0.440 11 HD3 PRO 59 2HD PRO 59 -11.082 4.351 2.190 12 H LEU 60 H LEU 60 -7.555 2.629 3.414 13 HA LEU 60 HA LEU 60 -4.715 2.658 3.160 14 HB3 LEU 60 HB2 LEU 60 -6.553 1.494 5.245 15 HG LEU 60 HG LEU 60 -4.174 0.443 5.146 16 HD11 LEU 60 1HD1 LEU 60 -3.201 2.826 4.892 17 HD12 LEU 60 2HD1 LEU 60 -2.384 1.670 5.945 18 HD13 LEU 60 3HD1 LEU 60 -3.417 2.919 6.639 19 HD21 LEU 60 3HD2 LEU 60 -4.469 -0.096 7.310 20 HD22 LEU 60 1HD2 LEU 60 -5.992 0.769 7.114 21 HD23 LEU 60 2HD2 LEU 60 -4.601 1.586 7.823 22 H GLU 61 H GLU 61 -7.067 -0.007 3.500 23 HA GLU 61 HA GLU 61 -5.138 -2.031 3.036 24 HB3 GLU 61 HB2 GLU 61 -7.932 -2.690 2.386 25 HG3 GLU 61 HG2 GLU 61 -7.476 -4.232 4.429 26 H GLU 62 H GLU 62 -7.440 -0.372 0.949 27 HA GLU 62 HA GLU 62 -7.022 -1.989 -1.322 28 HB3 GLU 62 HB2 GLU 62 -7.834 0.067 -2.582 29 HG3 GLU 62 HG2 GLU 62 -9.681 -0.722 -0.352 30 H TYR 63 H TYR 63 -5.221 0.675 0.029 31 HA TYR 63 HA TYR 63 -3.835 1.316 -2.358 32 HB3 TYR 63 HB2 TYR 63 -2.120 1.879 -0.209 33 HD1 TYR 63 1HD TYR 63 -5.145 3.225 -1.920 34 HD2 TYR 63 2HD TYR 63 -1.111 3.882 -0.753 35 HE1 TYR 63 1HE TYR 63 -5.141 5.334 -3.170 36 HE2 TYR 63 2HE TYR 63 -1.084 5.997 -1.994 37 HH TYR 63 HH TYR 63 -2.988 7.721 -2.742 38 H CYS 64 H CYS 64 -2.654 -0.405 0.547 39 HA CYS 64 HA CYS 64 -0.285 -1.223 -0.613 40 HB3 CYS 64 HB2 CYS 64 -0.782 -3.274 1.121 41 H LYS 65 H LYS 65 -3.487 -2.349 -1.225 42 HA LYS 65 HA LYS 65 -2.614 -4.818 -2.457 43 HB3 LYS 65 HB2 LYS 65 -5.008 -4.219 -1.482 44 HG3 LYS 65 HG2 LYS 65 -5.087 -2.562 -3.729 45 HD3 LYS 65 2HD LYS 65 -6.861 -4.969 -4.105 46 HE3 LYS 65 2HE LYS 65 -6.849 -2.219 -5.182 47 HZ1 LYS 65 3HZ LYS 65 -6.315 -3.050 -7.225 48 HZ2 LYS 65 1HZ LYS 65 -7.987 -3.311 -7.245 49 HZ3 LYS 65 2HZ LYS 65 -6.936 -4.592 -6.908 50 H ASP 66 H ASP 66 -3.496 -1.530 -3.334 51 HA ASP 66 HA ASP 66 -3.136 -1.809 -6.152 52 HB3 ASP 66 HB2 ASP 66 -3.055 0.690 -6.081 53 H ASN 67 H ASN 67 -1.098 -1.334 -3.424 54 HA ASN 67 HA ASN 67 1.224 -0.441 -4.901 55 HB3 ASN 67 HB2 ASN 67 2.154 -0.143 -2.718 56 HD21 ASN 67 1HD2 ASN 67 -0.319 0.632 -0.993 57 HD22 ASN 67 2HD2 ASN 67 -0.804 2.125 -1.700 58 HA PRO 68 HA PRO 68 2.147 -4.950 -5.186 59 HB3 PRO 68 HB2 PRO 68 1.835 -4.898 -7.473 60 HG3 PRO 68 HG2 PRO 68 1.993 -2.891 -8.654 61 HD3 PRO 68 2HD PRO 68 0.517 -2.390 -6.941 62 H GLU 69 H GLU 69 4.259 -2.234 -6.063 63 HA GLU 69 HA GLU 69 6.511 -3.511 -4.682 64 HB3 GLU 69 HB2 GLU 69 7.832 -1.636 -5.793 65 HG3 GLU 69 HG2 GLU 69 6.879 -2.779 -8.195 66 H THR 70 H THR 70 4.044 -1.848 -3.795 67 HA THR 70 HA THR 70 5.411 -0.361 -1.698 68 HB THR 70 HB THR 70 4.995 1.561 -2.853 69 HG1 THR 70 1HG THR 70 3.464 2.432 -1.748 70 HG21 THR 70 3HG2 THR 70 4.304 1.167 -4.947 71 HG22 THR 70 1HG2 THR 70 2.741 1.658 -4.294 72 HG23 THR 70 2HG2 THR 70 3.132 -0.054 -4.450 73 H ASN 71 H ASN 71 3.832 -2.904 -2.196 74 HA ASN 71 HA ASN 71 1.399 -2.693 -0.699 75 HB3 ASN 71 HB2 ASN 71 1.459 -4.773 -1.755 76 HD21 ASN 71 1HD2 ASN 71 4.685 -4.149 -0.460 77 HD22 ASN 71 2HD2 ASN 71 5.522 -5.146 -1.591 78 H GLU 72 H GLU 72 4.357 -1.942 -0.272 79 HA GLU 72 HA GLU 72 4.781 -2.592 2.559 80 HB3 GLU 72 HB2 GLU 72 7.015 -2.263 2.195 81 HG3 GLU 72 HG2 GLU 72 6.188 -2.472 -0.692 82 H CYS 73 H CYS 73 3.044 -0.707 0.818 83 HA CYS 73 HA CYS 73 3.577 1.828 0.949 84 HB3 CYS 73 HB2 CYS 73 1.550 0.791 -0.094 85 H ARG 74 H ARG 74 4.290 0.674 3.391 86 HA ARG 74 HA ARG 74 2.717 1.589 5.580 87 HB3 ARG 74 HB2 ARG 74 5.645 0.861 5.382 88 HG3 ARG 74 HG2 ARG 74 4.427 2.272 7.503 89 HD3 ARG 74 2HD ARG 74 5.432 -0.220 8.695 90 HE ARG 74 HE ARG 74 3.576 1.864 9.441 91 HH11 ARG 74 1HH1 ARG 74 4.805 -1.317 10.190 92 HH12 ARG 74 2HH1 ARG 74 4.334 -1.243 11.855 93 HH21 ARG 74 1HH2 ARG 74 2.951 1.960 11.628 94 HH22 ARG 74 2HH2 ARG 74 3.278 0.619 12.671 95 H THR 75 H THR 75 5.115 3.054 3.530 96 HA THR 75 HA THR 75 5.411 5.390 5.224 97 HB THR 75 HB THR 75 6.453 5.455 2.457 98 HG1 THR 75 1HG THR 75 7.341 3.554 4.358 99 HG21 THR 75 3HG2 THR 75 8.418 5.643 4.533 100 HG22 THR 75 1HG2 THR 75 7.053 6.707 4.873 101 HG23 THR 75 2HG2 THR 75 7.918 6.844 3.344 102 H TYR 76 H TYR 76 5.583 7.405 3.297 103 HA TYR 76 HA TYR 76 2.748 7.704 2.591 104 HB3 TYR 76 HB2 TYR 76 4.481 10.084 2.466 105 HD1 TYR 76 1HD TYR 76 2.513 11.006 1.325 106 HD2 TYR 76 2HD TYR 76 2.249 9.440 5.270 107 HE1 TYR 76 1HE TYR 76 0.344 12.127 1.617 108 HE2 TYR 76 2HE TYR 76 0.078 10.556 5.575 109 HH TYR 76 HH TYR 76 -1.726 11.465 4.276 110 H ASP 77 H ASP 77 5.769 9.118 1.320 111 HA ASP 77 HA ASP 77 4.723 9.262 -1.328 112 HB3 ASP 77 HB2 ASP 77 7.659 9.400 -0.941 113 H ASN 78 H ASN 78 6.247 8.401 -3.169 114 HA ASN 78 HA ASN 78 6.163 5.527 -2.958 115 HB3 ASN 78 HB2 ASN 78 7.231 5.914 -5.390 116 HD21 ASN 78 1HD2 ASN 78 4.643 7.699 -6.055 117 HD22 ASN 78 2HD2 ASN 78 3.424 6.479 -6.148 Start of MODEL 14 1 H SER 57 1H SER 57 -11.979 -1.638 7.049 2 HA SER 57 HA SER 57 -11.129 0.384 7.669 3 HB3 SER 57 HB2 SER 57 -8.640 -0.056 6.456 4 HG SER 57 HG SER 57 -9.369 -1.625 8.642 5 H ASP 58 H ASP 58 -9.227 1.975 6.874 6 HA ASP 58 HA ASP 58 -10.419 3.733 5.037 7 HB3 ASP 58 HB2 ASP 58 -7.575 4.175 5.222 8 HA PRO 59 HA PRO 59 -9.291 2.547 0.963 9 HB3 PRO 59 HB2 PRO 59 -8.866 4.408 -0.326 10 HG3 PRO 59 HG2 PRO 59 -10.663 5.106 0.976 11 HD3 PRO 59 2HD PRO 59 -10.634 4.918 3.272 12 H LEU 60 H LEU 60 -6.930 3.157 3.285 13 HA LEU 60 HA LEU 60 -4.550 2.707 1.898 14 HB3 LEU 60 HB2 LEU 60 -5.265 2.052 4.756 15 HG LEU 60 HG LEU 60 -3.114 0.951 3.838 16 HD11 LEU 60 1HD1 LEU 60 -2.196 2.725 2.560 17 HD12 LEU 60 2HD1 LEU 60 -1.162 2.532 3.976 18 HD13 LEU 60 3HD1 LEU 60 -2.327 3.854 3.910 19 HD21 LEU 60 3HD2 LEU 60 -3.550 2.509 6.308 20 HD22 LEU 60 1HD2 LEU 60 -1.894 1.999 5.979 21 HD23 LEU 60 2HD2 LEU 60 -3.181 0.799 6.093 22 H GLU 61 H GLU 61 -7.003 0.497 3.023 23 HA GLU 61 HA GLU 61 -5.501 -1.875 2.961 24 HB3 GLU 61 HB2 GLU 61 -8.290 -2.181 2.128 25 HG3 GLU 61 HG2 GLU 61 -6.956 -2.991 4.699 26 H GLU 62 H GLU 62 -7.648 -0.500 0.497 27 HA GLU 62 HA GLU 62 -7.035 -2.398 -1.493 28 HB3 GLU 62 HB2 GLU 62 -7.834 -0.595 -3.087 29 HG3 GLU 62 HG2 GLU 62 -9.325 -2.121 -1.224 30 H TYR 63 H TYR 63 -5.430 0.450 -0.359 31 HA TYR 63 HA TYR 63 -3.892 1.084 -2.573 32 HB3 TYR 63 HB2 TYR 63 -2.184 1.434 -0.401 33 HD1 TYR 63 1HD TYR 63 -5.155 2.802 -2.138 34 HD2 TYR 63 2HD TYR 63 -1.332 3.609 -0.482 35 HE1 TYR 63 1HE TYR 63 -5.198 5.025 -3.156 36 HE2 TYR 63 2HE TYR 63 -1.345 5.831 -1.504 37 HH TYR 63 HH TYR 63 -3.688 6.775 -3.838 38 H CYS 64 H CYS 64 -2.854 -0.973 0.175 39 HA CYS 64 HA CYS 64 -0.560 -1.839 -1.176 40 HB3 CYS 64 HB2 CYS 64 -0.871 -3.910 0.479 41 H LYS 65 H LYS 65 -3.878 -2.687 -1.510 42 HA LYS 65 HA LYS 65 -3.562 -5.276 -2.623 43 HB3 LYS 65 HB2 LYS 65 -5.714 -3.246 -3.263 44 HG3 LYS 65 HG2 LYS 65 -6.357 -6.106 -3.108 45 HD3 LYS 65 2HD LYS 65 -8.020 -4.418 -3.700 46 HE3 LYS 65 2HE LYS 65 -5.928 -3.332 -5.245 47 HZ1 LYS 65 3HZ LYS 65 -6.377 -4.198 -7.259 48 HZ2 LYS 65 1HZ LYS 65 -7.609 -3.038 -7.275 49 HZ3 LYS 65 2HZ LYS 65 -7.961 -4.639 -6.859 50 H ASP 66 H ASP 66 -3.523 -2.000 -3.952 51 HA ASP 66 HA ASP 66 -2.937 -2.995 -6.633 52 HB3 ASP 66 HB2 ASP 66 -2.593 -0.117 -6.154 53 H ASN 67 H ASN 67 -1.361 -1.467 -3.903 54 HA ASN 67 HA ASN 67 1.277 -1.794 -5.172 55 HB3 ASN 67 HB2 ASN 67 1.972 0.134 -4.023 56 HD21 ASN 67 1HD2 ASN 67 -1.456 0.528 -3.651 57 HD22 ASN 67 2HD2 ASN 67 -1.655 1.665 -4.929 58 HA PRO 68 HA PRO 68 0.668 -4.607 -1.528 59 HB3 PRO 68 HB2 PRO 68 -0.235 -6.219 -2.877 60 HG3 PRO 68 HG2 PRO 68 0.395 -6.429 -5.110 61 HD3 PRO 68 2HD PRO 68 -0.151 -4.203 -5.085 62 H GLU 69 H GLU 69 3.472 -3.534 -3.138 63 HA GLU 69 HA GLU 69 5.039 -5.324 -1.395 64 HB3 GLU 69 HB2 GLU 69 6.966 -4.259 -2.868 65 HG3 GLU 69 HG2 GLU 69 5.131 -6.517 -3.449 66 H THR 70 H THR 70 5.310 -1.806 -2.420 67 HA THR 70 HA THR 70 5.710 -1.241 0.332 68 HB THR 70 HB THR 70 7.985 -0.327 -1.349 69 HG1 THR 70 1HG THR 70 9.057 -2.214 -1.036 70 HG21 THR 70 3HG2 THR 70 7.723 -1.086 1.539 71 HG22 THR 70 1HG2 THR 70 7.840 0.545 0.880 72 HG23 THR 70 2HG2 THR 70 9.211 -0.557 0.754 73 H ASN 71 H ASN 71 5.397 -0.015 -2.845 74 HA ASN 71 HA ASN 71 5.672 2.617 -2.488 75 HB3 ASN 71 HB2 ASN 71 4.234 3.020 -4.286 76 HD21 ASN 71 1HD2 ASN 71 3.833 -0.464 -4.176 77 HD22 ASN 71 2HD2 ASN 71 4.927 -0.818 -5.468 78 H GLU 72 H GLU 72 2.871 0.759 -1.622 79 HA GLU 72 HA GLU 72 1.981 3.004 0.067 80 HB3 GLU 72 HB2 GLU 72 -0.241 2.163 -0.071 81 HG3 GLU 72 HG2 GLU 72 -0.702 2.124 -2.468 82 H CYS 73 H CYS 73 3.273 -0.064 -0.203 83 HA CYS 73 HA CYS 73 2.417 -0.863 2.347 84 HB3 CYS 73 HB2 CYS 73 4.110 -2.723 1.132 85 H ARG 74 H ARG 74 4.406 1.306 2.026 86 HA ARG 74 HA ARG 74 6.965 0.335 2.783 87 HB3 ARG 74 HB2 ARG 74 5.740 3.077 3.140 88 HG3 ARG 74 HG2 ARG 74 8.673 2.503 2.946 89 HD3 ARG 74 2HD ARG 74 8.947 4.691 3.752 90 HE ARG 74 HE ARG 74 8.263 5.103 1.559 91 HH11 ARG 74 1HH1 ARG 74 5.520 4.957 3.724 92 HH12 ARG 74 2HH1 ARG 74 4.438 5.698 2.596 93 HH21 ARG 74 1HH2 ARG 74 6.834 6.076 0.082 94 HH22 ARG 74 2HH2 ARG 74 5.181 6.332 0.531 95 H THR 75 H THR 75 4.188 1.589 4.567 96 HA THR 75 HA THR 75 3.741 1.761 6.800 97 HB THR 75 HB THR 75 3.063 -0.427 6.755 98 HG1 THR 75 1HG THR 75 3.507 -0.671 8.768 99 HG21 THR 75 3HG2 THR 75 4.649 -1.226 5.069 100 HG22 THR 75 1HG2 THR 75 4.416 -2.381 6.380 101 HG23 THR 75 2HG2 THR 75 5.875 -1.393 6.327 102 H TYR 76 H TYR 76 4.850 0.768 9.076 103 HA TYR 76 HA TYR 76 6.788 2.639 9.738 104 HB3 TYR 76 HB2 TYR 76 6.987 0.166 11.297 105 HD1 TYR 76 1HD TYR 76 5.438 3.571 11.258 106 HD2 TYR 76 2HD TYR 76 7.789 0.731 13.380 107 HE1 TYR 76 1HE TYR 76 5.786 5.212 13.056 108 HE2 TYR 76 2HE TYR 76 8.144 2.364 15.185 109 HH TYR 76 HH TYR 76 6.496 4.704 15.900 110 H ASP 77 H ASP 77 7.168 -0.675 8.597 111 HA ASP 77 HA ASP 77 9.824 -0.125 7.673 112 HB3 ASP 77 HB2 ASP 77 9.741 -2.414 9.590 113 H ASN 78 H ASN 78 10.730 -1.914 6.442 114 HA ASN 78 HA ASN 78 9.075 -4.211 5.909 115 HB3 ASN 78 HB2 ASN 78 9.626 -2.694 3.427 116 HD21 ASN 78 1HD2 ASN 78 6.439 -3.001 4.638 117 HD22 ASN 78 2HD2 ASN 78 5.980 -4.387 3.716 Start of MODEL 15 1 H SER 57 1H SER 57 -12.938 -2.686 4.691 2 HA SER 57 HA SER 57 -12.454 -0.757 5.854 3 HB3 SER 57 HB2 SER 57 -9.718 -0.941 5.266 4 HG SER 57 HG SER 57 -11.203 -2.696 6.932 5 H ASP 58 H ASP 58 -10.561 1.003 5.880 6 HA ASP 58 HA ASP 58 -11.346 3.032 4.113 7 HB3 ASP 58 HB2 ASP 58 -8.669 3.469 5.118 8 HA PRO 59 HA PRO 59 -9.167 2.640 0.324 9 HB3 PRO 59 HB2 PRO 59 -8.554 4.715 -0.467 10 HG3 PRO 59 HG2 PRO 59 -10.662 5.117 0.434 11 HD3 PRO 59 2HD PRO 59 -11.187 4.517 2.595 12 H LEU 60 H LEU 60 -7.490 2.823 3.234 13 HA LEU 60 HA LEU 60 -4.819 2.640 2.361 14 HB3 LEU 60 HB2 LEU 60 -4.275 1.961 4.582 15 HG LEU 60 HG LEU 60 -6.587 3.875 4.560 16 HD11 LEU 60 1HD1 LEU 60 -6.570 4.151 6.829 17 HD12 LEU 60 2HD1 LEU 60 -4.930 3.524 7.005 18 HD13 LEU 60 3HD1 LEU 60 -6.273 2.416 6.725 19 HD21 LEU 60 3HD2 LEU 60 -4.028 4.223 3.811 20 HD22 LEU 60 1HD2 LEU 60 -3.896 4.599 5.529 21 HD23 LEU 60 2HD2 LEU 60 -5.021 5.501 4.511 22 H GLU 61 H GLU 61 -7.253 0.186 3.101 23 HA GLU 61 HA GLU 61 -5.608 -2.062 2.805 24 HB3 GLU 61 HB2 GLU 61 -8.074 -2.951 1.984 25 HG3 GLU 61 HG2 GLU 61 -8.552 -3.430 4.363 26 H GLU 62 H GLU 62 -7.660 -0.397 0.456 27 HA GLU 62 HA GLU 62 -7.071 -2.105 -1.711 28 HB3 GLU 62 HB2 GLU 62 -7.805 -0.145 -3.123 29 HG3 GLU 62 HG2 GLU 62 -9.696 -0.843 -0.885 30 H TYR 63 H TYR 63 -5.383 0.566 -0.268 31 HA TYR 63 HA TYR 63 -3.787 1.312 -2.429 32 HB3 TYR 63 HB2 TYR 63 -2.114 1.506 -0.223 33 HD1 TYR 63 1HD TYR 63 -5.173 3.150 -1.579 34 HD2 TYR 63 2HD TYR 63 -1.095 3.552 -0.477 35 HE1 TYR 63 1HE TYR 63 -5.171 5.438 -2.458 36 HE2 TYR 63 2HE TYR 63 -1.064 5.831 -1.361 37 HH TYR 63 HH TYR 63 -2.869 7.680 -1.755 38 H CYS 64 H CYS 64 -2.867 -0.909 0.238 39 HA CYS 64 HA CYS 64 -0.596 -1.788 -1.178 40 HB3 CYS 64 HB2 CYS 64 -0.872 -3.862 0.460 41 H LYS 65 H LYS 65 -3.933 -2.490 -1.475 42 HA LYS 65 HA LYS 65 -3.751 -5.084 -2.607 43 HB3 LYS 65 HB2 LYS 65 -5.803 -2.914 -3.110 44 HG3 LYS 65 HG2 LYS 65 -7.168 -5.213 -3.358 45 HD3 LYS 65 2HD LYS 65 -7.102 -4.850 -5.780 46 HE3 LYS 65 2HE LYS 65 -7.034 -2.063 -5.198 47 HZ1 LYS 65 3HZ LYS 65 -8.660 -3.648 -6.506 48 HZ2 LYS 65 1HZ LYS 65 -9.176 -2.157 -5.894 49 HZ3 LYS 65 2HZ LYS 65 -9.523 -3.583 -5.055 50 H ASP 66 H ASP 66 -3.560 -1.798 -3.882 51 HA ASP 66 HA ASP 66 -3.017 -2.776 -6.579 52 HB3 ASP 66 HB2 ASP 66 -2.543 -0.102 -6.714 53 H ASN 67 H ASN 67 -1.386 -1.339 -3.819 54 HA ASN 67 HA ASN 67 1.233 -1.781 -5.098 55 HB3 ASN 67 HB2 ASN 67 2.008 0.148 -4.015 56 HD21 ASN 67 1HD2 ASN 67 -1.417 0.624 -3.647 57 HD22 ASN 67 2HD2 ASN 67 -1.583 1.766 -4.927 58 HA PRO 68 HA PRO 68 0.582 -4.405 -1.319 59 HB3 PRO 68 HB2 PRO 68 -0.531 -5.989 -2.557 60 HG3 PRO 68 HG2 PRO 68 -0.028 -6.352 -4.795 61 HD3 PRO 68 2HD PRO 68 -0.312 -4.088 -4.928 62 H GLU 69 H GLU 69 3.348 -3.578 -3.075 63 HA GLU 69 HA GLU 69 4.895 -5.482 -1.454 64 HB3 GLU 69 HB2 GLU 69 6.343 -3.915 -3.465 65 HG3 GLU 69 HG2 GLU 69 6.806 -6.441 -4.124 66 H THR 70 H THR 70 5.317 -1.996 -2.471 67 HA THR 70 HA THR 70 6.056 -1.508 0.247 68 HB THR 70 HB THR 70 8.177 -2.257 -0.417 69 HG1 THR 70 1HG THR 70 9.365 -0.513 -0.014 70 HG21 THR 70 3HG2 THR 70 9.367 -1.381 -2.393 71 HG22 THR 70 1HG2 THR 70 7.874 -0.586 -2.892 72 HG23 THR 70 2HG2 THR 70 7.946 -2.345 -2.791 73 H ASN 71 H ASN 71 5.463 -0.178 -2.842 74 HA ASN 71 HA ASN 71 5.973 2.430 -2.337 75 HB3 ASN 71 HB2 ASN 71 4.698 2.995 -4.171 76 HD21 ASN 71 1HD2 ASN 71 3.859 -0.425 -4.050 77 HD22 ASN 71 2HD2 ASN 71 4.862 -0.903 -5.376 78 H GLU 72 H GLU 72 3.065 0.683 -1.556 79 HA GLU 72 HA GLU 72 2.252 2.971 0.118 80 HB3 GLU 72 HB2 GLU 72 0.003 2.260 -0.075 81 HG3 GLU 72 HG2 GLU 72 -0.360 2.057 -2.529 82 H CYS 73 H CYS 73 3.462 -0.125 -0.040 83 HA CYS 73 HA CYS 73 2.328 -0.874 2.404 84 HB3 CYS 73 HB2 CYS 73 4.126 -2.782 1.430 85 H ARG 74 H ARG 74 5.321 0.508 1.467 86 HA ARG 74 HA ARG 74 6.475 -0.257 4.073 87 HB3 ARG 74 HB2 ARG 74 8.670 0.475 2.984 88 HG3 ARG 74 HG2 ARG 74 8.597 -1.658 1.408 89 HD3 ARG 74 2HD ARG 74 8.684 -1.444 4.388 90 HE ARG 74 HE ARG 74 9.448 -3.998 3.262 91 HH11 ARG 74 1HH1 ARG 74 6.982 -2.180 4.938 92 HH12 ARG 74 2HH1 ARG 74 6.231 -3.585 5.613 93 HH21 ARG 74 1HH2 ARG 74 8.456 -5.846 4.147 94 HH22 ARG 74 2HH2 ARG 74 7.066 -5.665 5.164 95 H THR 75 H THR 75 6.068 2.415 1.799 96 HA THR 75 HA THR 75 6.652 4.281 4.007 97 HB THR 75 HB THR 75 6.756 5.163 1.159 98 HG1 THR 75 1HG THR 75 8.855 3.760 2.448 99 HG21 THR 75 3HG2 THR 75 8.867 6.287 2.194 100 HG22 THR 75 1HG2 THR 75 8.047 5.953 3.718 101 HG23 THR 75 2HG2 THR 75 7.259 6.950 2.495 102 H TYR 76 H TYR 76 4.717 4.038 1.020 103 HA TYR 76 HA TYR 76 2.691 4.864 0.445 104 HB3 TYR 76 HB2 TYR 76 2.440 4.295 3.363 105 HD1 TYR 76 1HD TYR 76 0.098 5.243 0.596 106 HD2 TYR 76 2HD TYR 76 0.991 5.429 4.750 107 HE1 TYR 76 1HE TYR 76 -1.961 6.532 0.975 108 HE2 TYR 76 2HE TYR 76 -1.064 6.719 5.141 109 HH TYR 76 HH TYR 76 -2.893 8.079 2.601 110 H ASP 77 H ASP 77 2.719 6.480 3.597 111 HA ASP 77 HA ASP 77 2.515 9.044 2.199 112 HB3 ASP 77 HB2 ASP 77 2.244 9.008 5.136 113 H ASN 78 H ASN 78 3.946 10.700 2.472 114 HA ASN 78 HA ASN 78 6.604 10.088 3.138 115 HB3 ASN 78 HB2 ASN 78 6.523 12.822 3.302 116 HD21 ASN 78 1HD2 ASN 78 8.531 11.674 2.585 117 HD22 ASN 78 2HD2 ASN 78 8.813 11.573 0.884 Start of MODEL 16 1 H SER 57 1H SER 57 -13.343 -0.950 4.318 2 HA SER 57 HA SER 57 -12.841 1.023 5.726 3 HB3 SER 57 HB2 SER 57 -10.107 1.242 5.198 4 HG SER 57 HG SER 57 -10.210 0.556 7.646 5 H ASP 58 H ASP 58 -11.424 2.878 4.612 6 HA ASP 58 HA ASP 58 -12.488 3.221 2.030 7 HB3 ASP 58 HB2 ASP 58 -10.152 4.874 2.487 8 HA PRO 59 HA PRO 59 -9.798 1.346 -0.887 9 HB3 PRO 59 HB2 PRO 59 -9.624 2.657 -2.774 10 HG3 PRO 59 HG2 PRO 59 -11.865 2.905 -2.199 11 HD3 PRO 59 2HD PRO 59 -12.505 3.535 -0.079 12 H LEU 60 H LEU 60 -8.629 3.641 1.279 13 HA LEU 60 HA LEU 60 -5.925 3.817 0.600 14 HB3 LEU 60 HB2 LEU 60 -7.257 3.954 3.304 15 HG LEU 60 HG LEU 60 -4.644 3.646 3.218 16 HD11 LEU 60 1HD1 LEU 60 -4.867 6.609 2.752 17 HD12 LEU 60 2HD1 LEU 60 -4.437 5.461 1.484 18 HD13 LEU 60 3HD1 LEU 60 -3.402 5.637 2.902 19 HD21 LEU 60 3HD2 LEU 60 -5.387 4.024 5.325 20 HD22 LEU 60 1HD2 LEU 60 -6.378 5.402 4.849 21 HD23 LEU 60 2HD2 LEU 60 -4.636 5.595 5.043 22 H GLU 61 H GLU 61 -7.568 1.583 2.832 23 HA GLU 61 HA GLU 61 -5.296 0.147 3.597 24 HB3 GLU 61 HB2 GLU 61 -7.667 -1.523 3.468 25 HG3 GLU 61 HG2 GLU 61 -7.446 -1.067 6.045 26 H GLU 62 H GLU 62 -7.644 -0.528 1.037 27 HA GLU 62 HA GLU 62 -6.432 -2.894 0.121 28 HB3 GLU 62 HB2 GLU 62 -7.638 -2.369 -2.043 29 HG3 GLU 62 HG2 GLU 62 -9.476 -2.138 0.318 30 H TYR 63 H TYR 63 -5.701 0.458 -0.413 31 HA TYR 63 HA TYR 63 -4.258 0.174 -2.808 32 HB3 TYR 63 HB2 TYR 63 -2.953 2.184 -1.431 33 HD1 TYR 63 1HD TYR 63 -6.372 1.802 -2.904 34 HD2 TYR 63 2HD TYR 63 -2.581 3.719 -3.082 35 HE1 TYR 63 1HE TYR 63 -7.087 3.014 -4.916 36 HE2 TYR 63 2HE TYR 63 -3.281 4.936 -5.094 37 HH TYR 63 HH TYR 63 -4.893 4.782 -6.877 38 H CYS 64 H CYS 64 -2.964 0.514 0.516 39 HA CYS 64 HA CYS 64 -0.370 -0.035 -0.168 40 HB3 CYS 64 HB2 CYS 64 -0.442 -1.074 2.366 41 H LYS 65 H LYS 65 -2.985 -2.292 0.318 42 HA LYS 65 HA LYS 65 -1.166 -4.547 0.186 43 HB3 LYS 65 HB2 LYS 65 -3.226 -4.633 1.590 44 HG3 LYS 65 HG2 LYS 65 -4.621 -3.597 -0.418 45 HD3 LYS 65 2HD LYS 65 -5.034 -6.574 -0.652 46 HE3 LYS 65 2HE LYS 65 -6.452 -5.353 -2.659 47 HZ1 LYS 65 3HZ LYS 65 -7.151 -7.216 -1.206 48 HZ2 LYS 65 1HZ LYS 65 -8.379 -6.087 -1.493 49 HZ3 LYS 65 2HZ LYS 65 -7.566 -6.095 -0.010 50 H ASP 66 H ASP 66 -2.991 -2.576 -1.995 51 HA ASP 66 HA ASP 66 -2.987 -4.568 -4.097 52 HB3 ASP 66 HB2 ASP 66 -3.887 -2.481 -5.403 53 H ASN 67 H ASN 67 -1.111 -1.586 -3.386 54 HA ASN 67 HA ASN 67 0.309 -2.030 -5.873 55 HB3 ASN 67 HB2 ASN 67 0.866 0.201 -5.952 56 HD21 ASN 67 1HD2 ASN 67 -1.638 0.161 -3.510 57 HD22 ASN 67 2HD2 ASN 67 -2.888 0.737 -4.545 58 HA PRO 68 HA PRO 68 3.309 -3.990 -3.142 59 HB3 PRO 68 HB2 PRO 68 3.173 -5.886 -4.384 60 HG3 PRO 68 HG2 PRO 68 2.321 -5.815 -6.545 61 HD3 PRO 68 2HD PRO 68 0.760 -4.583 -5.345 62 H GLU 69 H GLU 69 3.624 -1.526 -5.454 63 HA GLU 69 HA GLU 69 6.495 -1.507 -5.609 64 HB3 GLU 69 HB2 GLU 69 6.101 0.858 -6.487 65 HG3 GLU 69 HG2 GLU 69 4.857 0.082 -8.551 66 H THR 70 H THR 70 4.118 0.486 -3.905 67 HA THR 70 HA THR 70 6.009 0.898 -1.708 68 HB THR 70 HB THR 70 4.596 3.174 -3.150 69 HG1 THR 70 1HG THR 70 7.351 2.601 -2.797 70 HG21 THR 70 3HG2 THR 70 5.462 4.689 -1.589 71 HG22 THR 70 1HG2 THR 70 6.479 3.460 -0.837 72 HG23 THR 70 2HG2 THR 70 4.727 3.400 -0.637 73 H ASN 71 H ASN 71 2.734 0.817 -2.941 74 HA ASN 71 HA ASN 71 1.467 1.412 -0.484 75 HB3 ASN 71 HB2 ASN 71 -0.183 -0.405 -1.756 76 HD21 ASN 71 1HD2 ASN 71 -0.186 1.869 -0.087 77 HD22 ASN 71 2HD2 ASN 71 -1.202 3.065 -0.803 78 H GLU 72 H GLU 72 3.382 -0.975 -1.703 79 HA GLU 72 HA GLU 72 2.894 -3.254 -0.095 80 HB3 GLU 72 HB2 GLU 72 4.356 -3.184 -2.173 81 HG3 GLU 72 HG2 GLU 72 5.762 -1.215 -0.735 82 H CYS 73 H CYS 73 3.213 -0.297 0.649 83 HA CYS 73 HA CYS 73 5.207 0.572 1.955 84 HB3 CYS 73 HB2 CYS 73 3.011 1.698 1.664 85 H ARG 74 H ARG 74 4.964 -2.160 2.577 86 HA ARG 74 HA ARG 74 4.223 -2.825 5.191 87 HB3 ARG 74 HB2 ARG 74 6.418 -3.952 3.447 88 HG3 ARG 74 HG2 ARG 74 6.018 -4.478 6.199 89 HD3 ARG 74 2HD ARG 74 4.859 -6.502 4.362 90 HE ARG 74 HE ARG 74 6.988 -7.373 5.730 91 HH11 ARG 74 1HH1 ARG 74 3.566 -7.834 6.252 92 HH12 ARG 74 2HH1 ARG 74 3.765 -9.378 7.008 93 HH21 ARG 74 1HH2 ARG 74 7.247 -9.406 6.724 94 HH22 ARG 74 2HH2 ARG 74 5.850 -10.271 7.277 95 H THR 75 H THR 75 7.027 -1.161 3.976 96 HA THR 75 HA THR 75 8.091 -0.964 6.716 97 HB THR 75 HB THR 75 9.854 -0.239 4.455 98 HG1 THR 75 1HG THR 75 10.026 -2.183 3.625 99 HG21 THR 75 3HG2 THR 75 10.212 -0.836 7.127 100 HG22 THR 75 1HG2 THR 75 11.471 -0.671 5.903 101 HG23 THR 75 2HG2 THR 75 10.809 -2.262 6.280 102 H TYR 76 H TYR 76 9.856 1.170 6.236 103 HA TYR 76 HA TYR 76 7.984 3.361 5.617 104 HB3 TYR 76 HB2 TYR 76 10.195 3.968 7.472 105 HD1 TYR 76 1HD TYR 76 6.510 3.574 7.876 106 HD2 TYR 76 2HD TYR 76 9.804 6.254 7.620 107 HE1 TYR 76 1HE TYR 76 5.016 5.451 8.419 108 HE2 TYR 76 2HE TYR 76 8.320 8.139 8.162 109 HH TYR 76 HH TYR 76 5.199 8.166 7.864 110 H ASP 77 H ASP 77 11.489 3.131 6.252 111 HA ASP 77 HA ASP 77 12.144 5.096 4.343 112 HB3 ASP 77 HB2 ASP 77 13.653 4.798 6.138 113 H ASN 78 H ASN 78 13.545 4.763 2.460 114 HA ASN 78 HA ASN 78 13.750 2.204 1.227 115 HB3 ASN 78 HB2 ASN 78 12.174 3.719 -0.652 116 HD21 ASN 78 1HD2 ASN 78 9.879 2.285 -0.612 117 HD22 ASN 78 2HD2 ASN 78 10.221 0.605 -0.824 Start of MODEL 17 1 H SER 57 1H SER 57 -12.537 -1.798 5.171 2 HA SER 57 HA SER 57 -11.317 -0.954 7.151 3 HB3 SER 57 HB2 SER 57 -8.753 -0.850 5.992 4 HG SER 57 HG SER 57 -8.197 -1.988 7.843 5 H ASP 58 H ASP 58 -9.642 0.996 6.690 6 HA ASP 58 HA ASP 58 -11.036 2.833 5.096 7 HB3 ASP 58 HB2 ASP 58 -8.265 3.596 5.429 8 HA PRO 59 HA PRO 59 -9.767 2.471 0.913 9 HB3 PRO 59 HB2 PRO 59 -9.531 4.554 -0.047 10 HG3 PRO 59 HG2 PRO 59 -11.418 4.821 1.286 11 HD3 PRO 59 2HD PRO 59 -11.409 4.237 3.510 12 H LEU 60 H LEU 60 -7.478 2.971 3.346 13 HA LEU 60 HA LEU 60 -5.090 2.898 1.841 14 HB3 LEU 60 HB2 LEU 60 -5.636 2.097 4.699 15 HG LEU 60 HG LEU 60 -3.436 1.207 3.738 16 HD11 LEU 60 1HD1 LEU 60 -2.906 3.171 2.373 17 HD12 LEU 60 2HD1 LEU 60 -1.629 2.819 3.538 18 HD13 LEU 60 3HD1 LEU 60 -2.757 4.142 3.837 19 HD21 LEU 60 3HD2 LEU 60 -3.876 2.810 6.181 20 HD22 LEU 60 1HD2 LEU 60 -2.202 2.431 5.773 21 HD23 LEU 60 2HD2 LEU 60 -3.371 1.130 5.998 22 H GLU 61 H GLU 61 -7.284 0.434 2.947 23 HA GLU 61 HA GLU 61 -5.596 -1.794 2.806 24 HB3 GLU 61 HB2 GLU 61 -8.103 -2.706 1.997 25 HG3 GLU 61 HG2 GLU 61 -8.431 -3.422 4.252 26 H GLU 62 H GLU 62 -7.632 -0.291 0.344 27 HA GLU 62 HA GLU 62 -7.038 -2.136 -1.709 28 HB3 GLU 62 HB2 GLU 62 -7.767 -0.278 -3.245 29 HG3 GLU 62 HG2 GLU 62 -9.459 -1.316 -1.031 30 H TYR 63 H TYR 63 -5.354 0.616 -0.429 31 HA TYR 63 HA TYR 63 -3.739 1.210 -2.623 32 HB3 TYR 63 HB2 TYR 63 -2.107 1.550 -0.386 33 HD1 TYR 63 1HD TYR 63 -4.984 3.021 -2.216 34 HD2 TYR 63 2HD TYR 63 -1.134 3.655 -0.544 35 HE1 TYR 63 1HE TYR 63 -4.899 5.225 -3.278 36 HE2 TYR 63 2HE TYR 63 -1.025 5.861 -1.601 37 HH TYR 63 HH TYR 63 -3.735 7.388 -2.955 38 H CYS 64 H CYS 64 -2.844 -0.811 0.206 39 HA CYS 64 HA CYS 64 -0.539 -1.780 -1.077 40 HB3 CYS 64 HB2 CYS 64 -0.949 -3.778 0.655 41 H LYS 65 H LYS 65 -3.864 -2.502 -1.470 42 HA LYS 65 HA LYS 65 -3.610 -5.148 -2.479 43 HB3 LYS 65 HB2 LYS 65 -5.713 -3.067 -3.125 44 HG3 LYS 65 HG2 LYS 65 -6.334 -5.955 -3.076 45 HD3 LYS 65 2HD LYS 65 -8.075 -4.271 -3.437 46 HE3 LYS 65 2HE LYS 65 -6.236 -3.436 -5.639 47 HZ1 LYS 65 3HZ LYS 65 -8.222 -2.130 -6.476 48 HZ2 LYS 65 1HZ LYS 65 -9.187 -3.247 -5.647 49 HZ3 LYS 65 2HZ LYS 65 -8.162 -3.769 -6.889 50 H ASP 66 H ASP 66 -3.496 -1.907 -3.886 51 HA ASP 66 HA ASP 66 -2.934 -2.975 -6.541 52 HB3 ASP 66 HB2 ASP 66 -2.473 -0.303 -6.767 53 H ASN 67 H ASN 67 -1.306 -1.430 -3.842 54 HA ASN 67 HA ASN 67 1.311 -1.904 -5.107 55 HB3 ASN 67 HB2 ASN 67 2.082 0.062 -4.115 56 HD21 ASN 67 1HD2 ASN 67 -1.285 0.643 -3.547 57 HD22 ASN 67 2HD2 ASN 67 -1.523 1.712 -4.877 58 HA PRO 68 HA PRO 68 0.675 -4.448 -1.279 59 HB3 PRO 68 HB2 PRO 68 -0.388 -6.079 -2.497 60 HG3 PRO 68 HG2 PRO 68 0.149 -6.476 -4.725 61 HD3 PRO 68 2HD PRO 68 -0.204 -4.221 -4.883 62 H GLU 69 H GLU 69 3.443 -3.583 -3.012 63 HA GLU 69 HA GLU 69 5.012 -5.411 -1.313 64 HB3 GLU 69 HB2 GLU 69 6.168 -3.772 -3.539 65 HG3 GLU 69 HG2 GLU 69 6.918 -6.439 -2.363 66 H THR 70 H THR 70 5.352 -1.932 -2.419 67 HA THR 70 HA THR 70 5.889 -1.321 0.304 68 HB THR 70 HB THR 70 8.089 -2.167 -0.527 69 HG1 THR 70 1HG THR 70 7.835 0.479 0.422 70 HG21 THR 70 3HG2 THR 70 7.780 0.142 -2.374 71 HG22 THR 70 1HG2 THR 70 8.466 -1.457 -2.663 72 HG23 THR 70 2HG2 THR 70 9.381 -0.257 -1.752 73 H ASN 71 H ASN 71 5.482 -0.147 -2.874 74 HA ASN 71 HA ASN 71 5.850 2.485 -2.553 75 HB3 ASN 71 HB2 ASN 71 4.378 2.907 -4.326 76 HD21 ASN 71 1HD2 ASN 71 3.943 -0.569 -4.188 77 HD22 ASN 71 2HD2 ASN 71 5.009 -0.943 -5.496 78 H GLU 72 H GLU 72 3.012 0.714 -1.635 79 HA GLU 72 HA GLU 72 2.207 2.993 0.052 80 HB3 GLU 72 HB2 GLU 72 -0.039 2.207 -0.055 81 HG3 GLU 72 HG2 GLU 72 -0.538 2.210 -2.433 82 H CYS 73 H CYS 73 3.395 -0.122 -0.217 83 HA CYS 73 HA CYS 73 2.577 -0.832 2.388 84 HB3 CYS 73 HB2 CYS 73 4.068 -2.827 1.097 85 H ARG 74 H ARG 74 4.711 1.169 1.895 86 HA ARG 74 HA ARG 74 7.244 0.061 2.461 87 HB3 ARG 74 HB2 ARG 74 7.226 2.239 1.551 88 HG3 ARG 74 HG2 ARG 74 5.317 2.931 3.754 89 HD3 ARG 74 2HD ARG 74 5.786 5.257 2.343 90 HE ARG 74 HE ARG 74 6.762 4.516 5.025 91 HH11 ARG 74 1HH1 ARG 74 5.203 6.790 2.867 92 HH12 ARG 74 2HH1 ARG 74 4.806 7.898 4.132 93 HH21 ARG 74 1HH2 ARG 74 6.237 5.983 6.677 94 HH22 ARG 74 2HH2 ARG 74 5.391 7.445 6.290 95 H THR 75 H THR 75 4.529 0.843 4.465 96 HA THR 75 HA THR 75 5.703 1.235 6.940 97 HB THR 75 HB THR 75 3.270 -0.459 6.880 98 HG1 THR 75 1HG THR 75 3.231 2.197 5.895 99 HG21 THR 75 3HG2 THR 75 3.013 0.485 8.856 100 HG22 THR 75 1HG2 THR 75 2.801 2.043 8.059 101 HG23 THR 75 2HG2 THR 75 4.407 1.530 8.577 102 H TYR 76 H TYR 76 5.175 -0.535 8.780 103 HA TYR 76 HA TYR 76 6.990 -2.716 8.184 104 HB3 TYR 76 HB2 TYR 76 5.792 -2.738 10.845 105 HD1 TYR 76 1HD TYR 76 8.922 -1.050 9.836 106 HD2 TYR 76 2HD TYR 76 7.158 -4.618 11.336 107 HE1 TYR 76 1HE TYR 76 11.157 -1.918 10.379 108 HE2 TYR 76 2HE TYR 76 9.388 -5.498 11.884 109 HH TYR 76 HH TYR 76 11.682 -4.511 12.394 110 H ASP 77 H ASP 77 3.817 -2.526 9.811 111 HA ASP 77 HA ASP 77 3.306 -5.313 9.329 112 HB3 ASP 77 HB2 ASP 77 1.168 -3.402 10.186 113 H ASN 78 H ASN 78 1.435 -6.124 8.175 114 HA ASN 78 HA ASN 78 0.173 -6.360 6.297 115 HB3 ASN 78 HB2 ASN 78 -0.199 -3.444 5.916 116 HD21 ASN 78 1HD2 ASN 78 -2.579 -5.203 7.580 117 HD22 ASN 78 2HD2 ASN 78 -3.589 -5.574 6.229 Start of MODEL 18 1 H SER 57 1H SER 57 -11.667 -1.986 3.988 2 HA SER 57 HA SER 57 -11.678 -0.807 6.682 3 HB3 SER 57 HB2 SER 57 -9.060 -0.910 5.682 4 HG SER 57 HG SER 57 -9.588 -1.179 7.854 5 H ASP 58 H ASP 58 -9.813 0.987 6.418 6 HA ASP 58 HA ASP 58 -10.920 3.016 4.827 7 HB3 ASP 58 HB2 ASP 58 -8.124 3.496 5.412 8 HA PRO 59 HA PRO 59 -9.351 2.710 0.740 9 HB3 PRO 59 HB2 PRO 59 -8.905 4.805 -0.106 10 HG3 PRO 59 HG2 PRO 59 -10.860 5.152 1.110 11 HD3 PRO 59 2HD PRO 59 -11.037 4.515 3.317 12 H LEU 60 H LEU 60 -7.246 2.900 3.359 13 HA LEU 60 HA LEU 60 -4.752 2.725 2.022 14 HB3 LEU 60 HB2 LEU 60 -3.798 2.261 4.132 15 HG LEU 60 HG LEU 60 -6.196 4.033 4.428 16 HD11 LEU 60 1HD1 LEU 60 -5.959 4.315 6.660 17 HD12 LEU 60 2HD1 LEU 60 -4.233 3.948 6.637 18 HD13 LEU 60 3HD1 LEU 60 -5.415 2.640 6.568 19 HD21 LEU 60 3HD2 LEU 60 -4.739 5.730 4.119 20 HD22 LEU 60 1HD2 LEU 60 -3.784 4.479 3.326 21 HD23 LEU 60 2HD2 LEU 60 -3.443 4.922 4.999 22 H GLU 61 H GLU 61 -7.157 0.395 3.000 23 HA GLU 61 HA GLU 61 -5.621 -1.938 2.838 24 HB3 GLU 61 HB2 GLU 61 -8.558 -1.574 2.238 25 HG3 GLU 61 HG2 GLU 61 -7.957 -4.061 3.476 26 H GLU 62 H GLU 62 -7.705 -0.460 0.386 27 HA GLU 62 HA GLU 62 -7.058 -2.250 -1.679 28 HB3 GLU 62 HB2 GLU 62 -7.800 -0.367 -3.201 29 HG3 GLU 62 HG2 GLU 62 -10.005 -0.427 -1.318 30 H TYR 63 H TYR 63 -5.417 0.512 -0.382 31 HA TYR 63 HA TYR 63 -3.818 1.176 -2.558 32 HB3 TYR 63 HB2 TYR 63 -2.169 1.472 -0.335 33 HD1 TYR 63 1HD TYR 63 -5.132 2.973 -2.004 34 HD2 TYR 63 2HD TYR 63 -1.214 3.576 -0.485 35 HE1 TYR 63 1HE TYR 63 -5.108 5.217 -2.987 36 HE2 TYR 63 2HE TYR 63 -1.166 5.819 -1.464 37 HH TYR 63 HH TYR 63 -2.503 6.945 -3.571 38 H CYS 64 H CYS 64 -2.890 -0.919 0.201 39 HA CYS 64 HA CYS 64 -0.580 -1.817 -1.127 40 HB3 CYS 64 HB2 CYS 64 -0.911 -3.850 0.570 41 H LYS 65 H LYS 65 -3.895 -2.587 -1.501 42 HA LYS 65 HA LYS 65 -3.610 -5.208 -2.559 43 HB3 LYS 65 HB2 LYS 65 -5.739 -3.129 -3.121 44 HG3 LYS 65 HG2 LYS 65 -6.641 -5.850 -3.223 45 HD3 LYS 65 2HD LYS 65 -7.872 -3.944 -4.122 46 HE3 LYS 65 2HE LYS 65 -5.466 -3.705 -5.902 47 HZ1 LYS 65 3HZ LYS 65 -7.137 -3.620 -7.490 48 HZ2 LYS 65 1HZ LYS 65 -6.936 -1.991 -7.072 49 HZ3 LYS 65 2HZ LYS 65 -8.243 -2.869 -6.453 50 H ASP 66 H ASP 66 -3.531 -1.944 -3.910 51 HA ASP 66 HA ASP 66 -2.949 -2.962 -6.583 52 HB3 ASP 66 HB2 ASP 66 -2.600 -0.076 -6.034 53 H ASN 67 H ASN 67 -1.355 -1.437 -3.853 54 HA ASN 67 HA ASN 67 1.274 -1.842 -5.118 55 HB3 ASN 67 HB2 ASN 67 2.010 0.112 -4.056 56 HD21 ASN 67 1HD2 ASN 67 -1.382 0.622 -3.567 57 HD22 ASN 67 2HD2 ASN 67 -1.603 1.716 -4.881 58 HA PRO 68 HA PRO 68 0.655 -4.482 -1.351 59 HB3 PRO 68 HB2 PRO 68 -0.373 -6.097 -2.613 60 HG3 PRO 68 HG2 PRO 68 0.190 -6.442 -4.843 61 HD3 PRO 68 2HD PRO 68 -0.201 -4.190 -4.953 62 H GLU 69 H GLU 69 3.432 -3.553 -3.051 63 HA GLU 69 HA GLU 69 5.003 -5.384 -1.354 64 HB3 GLU 69 HB2 GLU 69 6.724 -3.983 -3.106 65 HG3 GLU 69 HG2 GLU 69 5.678 -6.761 -3.543 66 H THR 70 H THR 70 5.319 -1.892 -2.425 67 HA THR 70 HA THR 70 5.808 -1.299 0.312 68 HB THR 70 HB THR 70 8.029 -2.120 -0.516 69 HG1 THR 70 1HG THR 70 8.041 0.587 0.308 70 HG21 THR 70 3HG2 THR 70 8.111 0.501 -1.986 71 HG22 THR 70 1HG2 THR 70 7.948 -1.079 -2.751 72 HG23 THR 70 2HG2 THR 70 9.409 -0.684 -1.845 73 H ASN 71 H ASN 71 5.443 -0.104 -2.867 74 HA ASN 71 HA ASN 71 5.780 2.528 -2.529 75 HB3 ASN 71 HB2 ASN 71 4.326 2.947 -4.311 76 HD21 ASN 71 1HD2 ASN 71 3.868 -0.527 -4.179 77 HD22 ASN 71 2HD2 ASN 71 4.939 -0.907 -5.482 78 H GLU 72 H GLU 72 2.956 0.728 -1.623 79 HA GLU 72 HA GLU 72 2.125 2.998 0.062 80 HB3 GLU 72 HB2 GLU 72 -0.112 2.177 -0.040 81 HG3 GLU 72 HG2 GLU 72 -0.604 2.183 -2.427 82 H CYS 73 H CYS 73 3.339 -0.104 -0.204 83 HA CYS 73 HA CYS 73 2.512 -0.841 2.385 84 HB3 CYS 73 HB2 CYS 73 4.076 -2.791 1.118 85 H ARG 74 H ARG 74 4.616 1.216 1.925 86 HA ARG 74 HA ARG 74 7.097 0.018 2.756 87 HB3 ARG 74 HB2 ARG 74 7.116 2.008 1.341 88 HG3 ARG 74 HG2 ARG 74 6.076 3.571 3.687 89 HD3 ARG 74 2HD ARG 74 7.198 4.206 1.049 90 HE ARG 74 HE ARG 74 4.541 5.013 1.502 91 HH11 ARG 74 1HH1 ARG 74 7.630 6.328 0.547 92 HH12 ARG 74 2HH1 ARG 74 6.936 7.605 -0.393 93 HH21 ARG 74 1HH2 ARG 74 3.627 6.692 0.264 94 HH22 ARG 74 2HH2 ARG 74 4.663 7.812 -0.554 95 H THR 75 H THR 75 4.411 1.647 4.281 96 HA THR 75 HA THR 75 3.841 2.031 6.439 97 HB THR 75 HB THR 75 5.523 -0.429 6.563 98 HG1 THR 75 1HG THR 75 2.811 0.200 7.044 99 HG21 THR 75 3HG2 THR 75 6.072 0.057 8.704 100 HG22 THR 75 1HG2 THR 75 4.443 -0.558 8.990 101 HG23 THR 75 2HG2 THR 75 4.729 1.181 8.912 102 H TYR 76 H TYR 76 7.125 0.951 7.212 103 HA TYR 76 HA TYR 76 7.702 2.951 9.018 104 HB3 TYR 76 HB2 TYR 76 9.875 1.821 7.284 105 HD1 TYR 76 1HD TYR 76 8.784 1.840 10.865 106 HD2 TYR 76 2HD TYR 76 11.844 2.737 8.048 107 HE1 TYR 76 1HE TYR 76 10.254 2.562 12.700 108 HE2 TYR 76 2HE TYR 76 13.323 3.459 9.875 109 HH TYR 76 HH TYR 76 13.540 2.993 12.361 110 H ASP 77 H ASP 77 9.112 2.825 5.742 111 HA ASP 77 HA ASP 77 9.963 5.516 5.785 112 HB3 ASP 77 HB2 ASP 77 9.426 4.303 3.142 113 H ASN 78 H ASN 78 9.242 7.111 4.045 114 HA ASN 78 HA ASN 78 6.553 7.030 3.125 115 HB3 ASN 78 HB2 ASN 78 6.003 7.437 5.449 116 HD21 ASN 78 1HD2 ASN 78 6.041 8.831 7.296 117 HD22 ASN 78 2HD2 ASN 78 7.473 9.715 7.683 Start of MODEL 19 1 H SER 57 1H SER 57 -12.078 -1.803 4.821 2 HA SER 57 HA SER 57 -12.460 0.600 5.341 3 HB3 SER 57 HB2 SER 57 -10.423 0.368 6.266 4 HG SER 57 HG SER 57 -10.032 -1.710 4.368 5 H ASP 58 H ASP 58 -10.657 2.467 4.697 6 HA ASP 58 HA ASP 58 -11.701 3.607 2.314 7 HB3 ASP 58 HB2 ASP 58 -9.321 4.951 3.098 8 HA PRO 59 HA PRO 59 -9.043 2.273 -0.926 9 HB3 PRO 59 HB2 PRO 59 -9.349 3.985 -2.347 10 HG3 PRO 59 HG2 PRO 59 -10.293 5.910 -1.516 11 HD3 PRO 59 2HD PRO 59 -11.456 4.335 -0.261 12 H LEU 60 H LEU 60 -7.826 3.924 1.729 13 HA LEU 60 HA LEU 60 -5.058 3.907 1.141 14 HB3 LEU 60 HB2 LEU 60 -6.535 3.973 3.770 15 HG LEU 60 HG LEU 60 -4.080 3.228 3.945 16 HD11 LEU 60 1HD1 LEU 60 -2.382 4.751 3.562 17 HD12 LEU 60 2HD1 LEU 60 -3.480 6.130 3.545 18 HD13 LEU 60 3HD1 LEU 60 -3.447 5.011 2.181 19 HD21 LEU 60 3HD2 LEU 60 -3.700 4.885 5.830 20 HD22 LEU 60 1HD2 LEU 60 -5.187 3.938 5.898 21 HD23 LEU 60 2HD2 LEU 60 -5.232 5.618 5.357 22 H GLU 61 H GLU 61 -7.208 1.600 2.722 23 HA GLU 61 HA GLU 61 -5.121 -0.182 3.496 24 HB3 GLU 61 HB2 GLU 61 -7.732 -1.429 3.196 25 HG3 GLU 61 HG2 GLU 61 -7.546 -1.664 5.658 26 H GLU 62 H GLU 62 -7.542 -0.250 0.909 27 HA GLU 62 HA GLU 62 -6.742 -2.661 -0.254 28 HB3 GLU 62 HB2 GLU 62 -7.705 -1.669 -2.387 29 HG3 GLU 62 HG2 GLU 62 -9.087 -3.039 -0.921 30 H TYR 63 H TYR 63 -5.394 0.537 -0.444 31 HA TYR 63 HA TYR 63 -3.916 0.151 -2.819 32 HB3 TYR 63 HB2 TYR 63 -2.394 1.897 -1.359 33 HD1 TYR 63 1HD TYR 63 -5.841 2.062 -2.811 34 HD2 TYR 63 2HD TYR 63 -1.827 3.459 -2.921 35 HE1 TYR 63 1HE TYR 63 -6.389 3.465 -4.753 36 HE2 TYR 63 2HE TYR 63 -2.358 4.862 -4.860 37 HH TYR 63 HH TYR 63 -5.028 5.893 -5.713 38 H CYS 64 H CYS 64 -2.741 0.195 0.567 39 HA CYS 64 HA CYS 64 -0.247 -0.719 -0.141 40 HB3 CYS 64 HB2 CYS 64 -1.195 -1.603 2.533 41 H LYS 65 H LYS 65 -3.155 -2.489 -0.145 42 HA LYS 65 HA LYS 65 -1.752 -5.024 0.065 43 HB3 LYS 65 HB2 LYS 65 -4.100 -4.744 0.932 44 HG3 LYS 65 HG2 LYS 65 -4.675 -4.435 -1.973 45 HD3 LYS 65 2HD LYS 65 -6.565 -5.623 0.055 46 HE3 LYS 65 2HE LYS 65 -7.088 -4.054 -2.216 47 HZ1 LYS 65 3HZ LYS 65 -7.203 -6.907 -2.787 48 HZ2 LYS 65 1HZ LYS 65 -7.022 -5.597 -3.841 49 HZ3 LYS 65 2HZ LYS 65 -8.553 -5.999 -3.248 50 H ASP 66 H ASP 66 -3.193 -2.924 -2.404 51 HA ASP 66 HA ASP 66 -2.403 -4.789 -4.509 52 HB3 ASP 66 HB2 ASP 66 -3.731 -3.270 -5.953 53 H ASN 67 H ASN 67 -0.842 -2.164 -3.052 54 HA ASN 67 HA ASN 67 0.256 -1.135 -5.519 55 HB3 ASN 67 HB2 ASN 67 1.382 0.475 -3.910 56 HD21 ASN 67 1HD2 ASN 67 -1.960 -0.225 -3.318 57 HD22 ASN 67 2HD2 ASN 67 -2.599 1.118 -4.183 58 HA PRO 68 HA PRO 68 3.556 -4.313 -5.049 59 HB3 PRO 68 HB2 PRO 68 4.132 -4.601 -7.231 60 HG3 PRO 68 HG2 PRO 68 2.073 -4.439 -8.125 61 HD3 PRO 68 2HD PRO 68 0.700 -3.837 -6.433 62 H GLU 69 H GLU 69 3.574 -0.862 -5.663 63 HA GLU 69 HA GLU 69 6.287 -0.603 -4.555 64 HB3 GLU 69 HB2 GLU 69 4.697 1.658 -5.733 65 HG3 GLU 69 HG2 GLU 69 7.426 1.582 -6.524 66 H THR 70 H THR 70 2.955 0.168 -3.985 67 HA THR 70 HA THR 70 3.652 1.454 -1.423 68 HB THR 70 HB THR 70 0.897 1.890 -2.240 69 HG1 THR 70 1HG THR 70 1.191 2.938 -4.094 70 HG21 THR 70 3HG2 THR 70 1.201 3.850 -1.249 71 HG22 THR 70 1HG2 THR 70 2.633 4.213 -2.213 72 HG23 THR 70 2HG2 THR 70 2.775 3.229 -0.756 73 H ASN 71 H ASN 71 2.806 -1.386 -2.615 74 HA ASN 71 HA ASN 71 0.880 -2.079 -0.558 75 HB3 ASN 71 HB2 ASN 71 0.949 -3.166 -2.973 76 HD21 ASN 71 1HD2 ASN 71 3.716 -2.933 -2.684 77 HD22 ASN 71 2HD2 ASN 71 4.427 -4.488 -2.922 78 H GLU 72 H GLU 72 4.018 -1.622 -1.231 79 HA GLU 72 HA GLU 72 5.051 -3.365 0.904 80 HB3 GLU 72 HB2 GLU 72 6.322 -3.368 -1.214 81 HG3 GLU 72 HG2 GLU 72 6.276 -0.427 -0.824 82 H CYS 73 H CYS 73 3.587 -0.533 0.394 83 HA CYS 73 HA CYS 73 5.030 1.402 1.512 84 HB3 CYS 73 HB2 CYS 73 2.628 1.463 0.517 85 H ARG 74 H ARG 74 3.461 -1.214 3.027 86 HA ARG 74 HA ARG 74 3.524 -0.216 5.711 87 HB3 ARG 74 HB2 ARG 74 1.929 -1.955 4.978 88 HG3 ARG 74 HG2 ARG 74 4.417 -3.499 4.493 89 HD3 ARG 74 2HD ARG 74 2.917 -5.577 4.639 90 HE ARG 74 HE ARG 74 3.466 -4.727 7.346 91 HH11 ARG 74 1HH1 ARG 74 4.806 -5.968 4.370 92 HH12 ARG 74 2HH1 ARG 74 6.207 -6.638 5.137 93 HH21 ARG 74 1HH2 ARG 74 5.308 -5.606 8.352 94 HH22 ARG 74 2HH2 ARG 74 6.493 -6.432 7.396 95 H THR 75 H THR 75 5.762 -1.874 3.646 96 HA THR 75 HA THR 75 7.527 -2.542 5.870 97 HB THR 75 HB THR 75 8.523 -2.974 3.138 98 HG1 THR 75 1HG THR 75 6.176 -4.292 4.026 99 HG21 THR 75 3HG2 THR 75 8.003 -5.170 5.060 100 HG22 THR 75 1HG2 THR 75 9.258 -3.992 5.447 101 HG23 THR 75 2HG2 THR 75 9.352 -4.925 3.953 102 H TYR 76 H TYR 76 10.006 -2.228 4.751 103 HA TYR 76 HA TYR 76 10.480 0.533 5.161 104 HB3 TYR 76 HB2 TYR 76 12.483 -0.294 5.683 105 HD1 TYR 76 1HD TYR 76 11.536 -2.100 7.135 106 HD2 TYR 76 2HD TYR 76 12.813 -2.836 3.144 107 HE1 TYR 76 1HE TYR 76 11.624 -4.510 7.614 108 HE2 TYR 76 2HE TYR 76 12.903 -5.249 3.612 109 HH TYR 76 HH TYR 76 11.430 -6.705 6.058 110 H ASP 77 H ASP 77 12.426 1.235 3.363 111 HA ASP 77 HA ASP 77 10.853 1.575 0.914 112 HB3 ASP 77 HB2 ASP 77 13.308 3.145 1.272 113 H ASN 78 H ASN 78 12.341 -0.759 1.512 114 HA ASN 78 HA ASN 78 14.035 -0.844 -0.870 115 HB3 ASN 78 HB2 ASN 78 15.013 -2.406 1.455 116 HD21 ASN 78 1HD2 ASN 78 17.199 -2.811 1.293 117 HD22 ASN 78 2HD2 ASN 78 18.104 -2.472 -0.139 Start of MODEL 20 1 H SER 57 1H SER 57 -10.660 -3.746 2.824 2 HA SER 57 HA SER 57 -10.827 -3.524 5.747 3 HB3 SER 57 HB2 SER 57 -8.387 -2.460 4.895 4 HG SER 57 HG SER 57 -7.801 -4.760 5.864 5 H ASP 58 H ASP 58 -9.507 -1.224 5.994 6 HA ASP 58 HA ASP 58 -11.341 0.722 5.073 7 HB3 ASP 58 HB2 ASP 58 -8.916 1.967 5.883 8 HA PRO 59 HA PRO 59 -9.895 2.065 1.140 9 HB3 PRO 59 HB2 PRO 59 -10.789 4.127 1.146 10 HG3 PRO 59 HG2 PRO 59 -11.481 4.997 3.162 11 HD3 PRO 59 2HD PRO 59 -12.048 2.760 3.468 12 H LEU 60 H LEU 60 -7.939 2.255 3.854 13 HA LEU 60 HA LEU 60 -5.552 3.244 2.677 14 HB3 LEU 60 HB2 LEU 60 -4.458 2.560 4.700 15 HG LEU 60 HG LEU 60 -7.238 3.575 5.216 16 HD11 LEU 60 1HD1 LEU 60 -5.225 2.593 7.137 17 HD12 LEU 60 2HD1 LEU 60 -6.980 2.705 7.284 18 HD13 LEU 60 3HD1 LEU 60 -5.982 4.142 7.510 19 HD21 LEU 60 3HD2 LEU 60 -5.153 4.857 4.158 20 HD22 LEU 60 1HD2 LEU 60 -4.769 5.076 5.866 21 HD23 LEU 60 2HD2 LEU 60 -6.311 5.647 5.228 22 H GLU 61 H GLU 61 -6.586 -0.029 3.597 23 HA GLU 61 HA GLU 61 -4.370 -1.391 2.615 24 HB3 GLU 61 HB2 GLU 61 -6.402 -3.198 2.257 25 HG3 GLU 61 HG2 GLU 61 -6.060 -3.280 4.983 26 H GLU 62 H GLU 62 -7.000 0.054 0.909 27 HA GLU 62 HA GLU 62 -7.161 -1.424 -1.400 28 HB3 GLU 62 HB2 GLU 62 -7.406 0.861 -2.568 29 HG3 GLU 62 HG2 GLU 62 -9.192 -0.022 -0.322 30 H TYR 63 H TYR 63 -4.727 1.090 -0.623 31 HA TYR 63 HA TYR 63 -3.391 0.670 -3.084 32 HB3 TYR 63 HB2 TYR 63 -3.145 2.807 -2.244 33 HD1 TYR 63 1HD TYR 63 -1.215 1.015 0.317 34 HD2 TYR 63 2HD TYR 63 -4.188 3.943 -0.439 35 HE1 TYR 63 1HE TYR 63 -1.189 1.617 2.687 36 HE2 TYR 63 2HE TYR 63 -4.189 4.564 1.942 37 HH TYR 63 HH TYR 63 -2.505 2.699 4.331 38 H CYS 64 H CYS 64 -3.022 -0.419 0.281 39 HA CYS 64 HA CYS 64 -0.525 -1.592 -0.041 40 HB3 CYS 64 HB2 CYS 64 -1.540 -3.470 1.564 41 H LYS 65 H LYS 65 -3.629 -2.369 -1.297 42 HA LYS 65 HA LYS 65 -2.830 -4.932 -2.392 43 HB3 LYS 65 HB2 LYS 65 -5.185 -4.369 -3.616 44 HG3 LYS 65 HG2 LYS 65 -4.434 -6.161 -1.759 45 HD3 LYS 65 2HD LYS 65 -4.945 -4.464 0.041 46 HE3 LYS 65 2HE LYS 65 -7.220 -3.988 -1.358 47 HZ1 LYS 65 3HZ LYS 65 -9.042 -4.800 0.047 48 HZ2 LYS 65 1HZ LYS 65 -7.955 -5.784 0.892 49 HZ3 LYS 65 2HZ LYS 65 -8.247 -6.062 -0.750 50 H ASP 66 H ASP 66 -3.483 -1.590 -3.515 51 HA ASP 66 HA ASP 66 -3.096 -2.138 -6.283 52 HB3 ASP 66 HB2 ASP 66 -3.031 0.258 -6.548 53 H ASN 67 H ASN 67 -1.006 -1.205 -3.678 54 HA ASN 67 HA ASN 67 1.405 -0.921 -5.280 55 HB3 ASN 67 HB2 ASN 67 2.288 -0.531 -2.910 56 HD21 ASN 67 1HD2 ASN 67 -0.378 1.172 -2.301 57 HD22 ASN 67 2HD2 ASN 67 -0.074 2.618 -3.201 58 HA PRO 68 HA PRO 68 1.627 -5.430 -4.667 59 HB3 PRO 68 HB2 PRO 68 1.652 -5.667 -6.932 60 HG3 PRO 68 HG2 PRO 68 2.413 -3.933 -8.306 61 HD3 PRO 68 2HD PRO 68 0.834 -2.951 -6.907 62 H GLU 69 H GLU 69 4.437 -3.169 -4.789 63 HA GLU 69 HA GLU 69 5.971 -5.378 -3.590 64 HB3 GLU 69 HB2 GLU 69 7.430 -2.968 -4.421 65 HG3 GLU 69 HG2 GLU 69 8.230 -5.339 -5.753 66 H THR 70 H THR 70 5.908 -1.753 -2.961 67 HA THR 70 HA THR 70 6.318 -2.513 -0.154 68 HB THR 70 HB THR 70 8.145 -0.377 -0.949 69 HG1 THR 70 1HG THR 70 8.657 -3.017 -1.840 70 HG21 THR 70 3HG2 THR 70 8.348 -2.903 0.641 71 HG22 THR 70 1HG2 THR 70 8.432 -1.235 1.206 72 HG23 THR 70 2HG2 THR 70 9.754 -1.912 0.254 73 H ASN 71 H ASN 71 5.558 0.037 -2.396 74 HA ASN 71 HA ASN 71 5.107 2.033 -0.407 75 HB3 ASN 71 HB2 ASN 71 5.620 2.919 -2.515 76 HD21 ASN 71 1HD2 ASN 71 3.723 0.082 -2.770 77 HD22 ASN 71 2HD2 ASN 71 3.773 -0.053 -4.498 78 H GLU 72 H GLU 72 3.472 -0.657 -1.041 79 HA GLU 72 HA GLU 72 0.806 0.170 -1.038 80 HB3 GLU 72 HB2 GLU 72 2.193 -2.128 -1.581 81 HG3 GLU 72 HG2 GLU 72 0.725 -2.712 0.983 82 H CYS 73 H CYS 73 3.033 -1.177 1.258 83 HA CYS 73 HA CYS 73 1.245 -0.259 3.265 84 HB3 CYS 73 HB2 CYS 73 2.623 -2.228 4.419 85 H ARG 74 H ARG 74 3.639 1.113 2.034 86 HA ARG 74 HA ARG 74 5.359 1.384 4.390 87 HB3 ARG 74 HB2 ARG 74 6.422 3.088 2.570 88 HG3 ARG 74 HG2 ARG 74 6.934 0.177 2.232 89 HD3 ARG 74 2HD ARG 74 8.182 2.150 1.067 90 HE ARG 74 HE ARG 74 8.744 2.932 3.613 91 HH11 ARG 74 1HH1 ARG 74 10.673 1.831 0.920 92 HH12 ARG 74 2HH1 ARG 74 12.064 2.756 1.377 93 HH21 ARG 74 1HH2 ARG 74 10.573 4.148 4.216 94 HH22 ARG 74 2HH2 ARG 74 12.008 4.070 3.249 95 H THR 75 H THR 75 3.320 3.238 2.244 96 HA THR 75 HA THR 75 3.643 5.773 3.385 97 HB THR 75 HB THR 75 1.142 4.668 2.090 98 HG1 THR 75 1HG THR 75 3.312 6.015 0.865 99 HG21 THR 75 3HG2 THR 75 2.076 7.495 1.893 100 HG22 THR 75 1HG2 THR 75 1.099 6.967 3.262 101 HG23 THR 75 2HG2 THR 75 0.469 6.822 1.621 102 H TYR 76 H TYR 76 1.281 3.229 4.100 103 HA TYR 76 HA TYR 76 -0.220 2.951 5.784 104 HB3 TYR 76 HB2 TYR 76 2.262 3.962 7.124 105 HD1 TYR 76 1HD TYR 76 -0.988 2.366 8.084 106 HD2 TYR 76 2HD TYR 76 2.281 4.818 9.265 107 HE1 TYR 76 1HE TYR 76 -2.032 2.687 10.287 108 HE2 TYR 76 2HE TYR 76 1.247 5.146 11.471 109 HH TYR 76 HH TYR 76 -1.242 3.264 12.634 110 H ASP 77 H ASP 77 1.148 5.773 7.397 111 HA ASP 77 HA ASP 77 -1.361 6.921 7.881 112 HB3 ASP 77 HB2 ASP 77 0.381 7.447 9.387 113 H ASN 78 H ASN 78 -1.677 9.365 7.301 114 HA ASN 78 HA ASN 78 -2.118 9.484 4.499 115 HB3 ASN 78 HB2 ASN 78 -2.197 12.024 6.008 116 HD21 ASN 78 1HD2 ASN 78 -4.631 9.655 5.027 117 HD22 ASN 78 2HD2 ASN 78 -5.354 10.644 3.809
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