NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575206 | 2m0h | 18809 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 59 HT1 ASP 59 0.533 -11.802 4.963 2 H2 ASP 59 HT2 ASP 59 0.095 -10.417 5.844 3 H3 ASP 59 HT3 ASP 59 0.949 -10.263 4.384 4 HA ASP 59 HA ASP 59 -1.173 -11.629 3.537 5 HB2 ASP 59 HB3 ASP 59 -1.996 -9.913 5.892 6 HB3 ASP 59 HB2 ASP 59 -3.130 -10.391 4.612 7 H THR 60 HN THR 60 0.575 -8.807 4.152 8 HA THR 60 HA THR 60 -0.966 -7.051 2.430 9 HB THR 60 HB THR 60 0.819 -5.434 2.867 10 HG1 THR 60 HG1 THR 60 2.112 -7.140 4.616 11 HG21 THR 60 HG21 THR 60 0.692 -5.504 5.421 12 HG22 THR 60 HG22 THR 60 -0.216 -7.005 5.231 13 HG23 THR 60 HG23 THR 60 -0.851 -5.499 4.566 14 H LEU 61 HN LEU 61 1.381 -9.475 2.049 15 HA LEU 61 HA LEU 61 2.844 -8.462 -0.153 16 HB2 LEU 61 HB3 LEU 61 2.224 -11.265 0.783 17 HB3 LEU 61 HB2 LEU 61 3.188 -10.960 -0.659 18 HG LEU 61 HG LEU 61 4.566 -11.305 1.402 19 HD11 LEU 61 HD11 LEU 61 5.003 -8.432 0.648 20 HD12 LEU 61 HD12 LEU 61 5.111 -9.652 -0.622 21 HD13 LEU 61 HD13 LEU 61 6.162 -9.753 0.787 22 HD21 LEU 61 HD21 LEU 61 2.821 -10.117 2.872 23 HD22 LEU 61 HD22 LEU 61 3.552 -8.611 2.315 24 HD23 LEU 61 HD23 LEU 61 4.516 -9.778 3.216 25 H LEU 62 HN LEU 62 -0.163 -10.319 0.094 26 HA LEU 62 HA LEU 62 -0.551 -10.657 -2.692 27 HB2 LEU 62 HB3 LEU 62 -1.780 -11.978 -1.018 28 HB3 LEU 62 HB2 LEU 62 -2.598 -10.516 -0.469 29 HG LEU 62 HG LEU 62 -3.591 -10.227 -2.721 30 HD11 LEU 62 HD11 LEU 62 -3.410 -12.426 -4.177 31 HD12 LEU 62 HD12 LEU 62 -1.897 -12.652 -3.298 32 HD13 LEU 62 HD13 LEU 62 -2.144 -11.204 -4.276 33 HD21 LEU 62 HD21 LEU 62 -5.008 -12.361 -2.641 34 HD22 LEU 62 HD22 LEU 62 -4.953 -11.404 -1.162 35 HD23 LEU 62 HD23 LEU 62 -3.983 -12.868 -1.300 36 H GLY 63 HN GLY 63 -1.635 -8.211 -0.365 37 HA2 GLY 63 HA3 GLY 63 -3.215 -6.675 -2.112 38 HA3 GLY 63 HA2 GLY 63 -2.389 -6.056 -0.661 39 H ARG 64 HN ARG 64 0.207 -7.053 -1.700 40 HA ARG 64 HA ARG 64 0.935 -4.684 -3.168 41 HB2 ARG 64 HB3 ARG 64 2.349 -5.978 -1.410 42 HB3 ARG 64 HB2 ARG 64 2.740 -7.061 -2.743 43 HG2 ARG 64 HG3 ARG 64 3.645 -5.203 -4.043 44 HG3 ARG 64 HG2 ARG 64 3.156 -4.057 -2.797 45 HD2 ARG 64 HD3 ARG 64 5.119 -6.327 -2.389 46 HD3 ARG 64 HD2 ARG 64 5.564 -4.641 -2.636 47 HE ARG 64 HE ARG 64 3.791 -4.682 -0.490 48 HH11 ARG 64 HH21 ARG 64 6.870 -6.007 -1.347 49 HH12 ARG 64 HH22 ARG 64 7.470 -6.025 0.278 50 HH21 ARG 64 HH11 ARG 64 4.570 -4.703 1.643 51 HH22 ARG 64 HH12 ARG 64 6.167 -5.287 1.971 52 H MET 65 HN MET 65 -0.971 -6.503 -4.431 53 HA MET 65 HA MET 65 0.370 -6.751 -7.012 54 HB2 MET 65 HB3 MET 65 0.641 -8.954 -5.684 55 HB3 MET 65 HB2 MET 65 -1.091 -9.165 -5.939 56 HG2 MET 65 HG3 MET 65 0.038 -10.311 -7.735 57 HG3 MET 65 HG2 MET 65 -0.672 -8.832 -8.417 58 HE1 MET 65 HE1 MET 65 1.252 -10.305 -9.985 59 HE2 MET 65 HE2 MET 65 2.575 -9.237 -10.451 60 HE3 MET 65 HE3 MET 65 0.914 -8.657 -10.536 61 H LEU 66 HN LEU 66 -2.592 -7.356 -5.136 62 HA LEU 66 HA LEU 66 -4.179 -6.140 -7.332 63 HB2 LEU 66 HB3 LEU 66 -4.966 -8.536 -5.652 64 HB3 LEU 66 HB2 LEU 66 -5.968 -7.755 -6.872 65 HG LEU 66 HG LEU 66 -3.264 -9.006 -7.441 66 HD11 LEU 66 HD11 LEU 66 -4.638 -10.803 -8.539 67 HD12 LEU 66 HD12 LEU 66 -6.075 -10.084 -7.811 68 HD13 LEU 66 HD13 LEU 66 -4.808 -10.757 -6.785 69 HD21 LEU 66 HD21 LEU 66 -5.409 -7.709 -9.129 70 HD22 LEU 66 HD22 LEU 66 -4.350 -8.931 -9.830 71 HD23 LEU 66 HD23 LEU 66 -3.666 -7.451 -9.166 72 HA PRO 67 HA PRO 67 -4.937 -4.321 -3.091 73 HB2 PRO 67 HB3 PRO 67 -4.056 -1.782 -3.554 74 HB3 PRO 67 HB2 PRO 67 -2.954 -3.103 -3.063 75 HG2 PRO 67 HG3 PRO 67 -3.491 -2.002 -5.804 76 HG3 PRO 67 HG2 PRO 67 -1.932 -2.423 -5.038 77 HD2 PRO 67 HD3 PRO 67 -3.213 -4.093 -6.797 78 HD3 PRO 67 HD2 PRO 67 -2.188 -4.696 -5.475 79 H GLN 68 HN GLN 68 -5.608 -3.385 -6.361 80 HA GLN 68 HA GLN 68 -8.006 -1.865 -5.524 81 HB2 GLN 68 HB3 GLN 68 -8.033 -0.976 -7.818 82 HB3 GLN 68 HB2 GLN 68 -6.505 -0.616 -6.990 83 HG2 GLN 68 HG3 GLN 68 -5.440 -2.531 -8.132 84 HG3 GLN 68 HG2 GLN 68 -6.955 -2.893 -8.953 85 HE21 GLN 68 HE21 GLN 68 -4.035 -1.445 -9.495 86 HE22 GLN 68 HE22 GLN 68 -4.507 -0.281 -10.661 87 H LEU 69 HN LEU 69 -8.065 -4.622 -5.267 88 HA LEU 69 HA LEU 69 -10.391 -5.232 -6.786 89 HB2 LEU 69 HB3 LEU 69 -8.276 -5.625 -8.344 90 HB3 LEU 69 HB2 LEU 69 -8.149 -7.127 -7.440 91 HG LEU 69 HG LEU 69 -10.676 -6.211 -8.854 92 HD11 LEU 69 HD11 LEU 69 -8.663 -8.300 -9.731 93 HD12 LEU 69 HD12 LEU 69 -8.762 -6.675 -10.408 94 HD13 LEU 69 HD13 LEU 69 -10.111 -7.795 -10.601 95 HD21 LEU 69 HD21 LEU 69 -9.822 -8.759 -7.456 96 HD22 LEU 69 HD22 LEU 69 -11.178 -8.710 -8.581 97 HD23 LEU 69 HD23 LEU 69 -11.223 -7.748 -7.105 98 H VAL 70 HN VAL 70 -7.703 -7.257 -5.492 99 HA VAL 70 HA VAL 70 -9.507 -8.992 -4.141 100 HB VAL 70 HB VAL 70 -6.548 -8.478 -3.762 101 HG11 VAL 70 HG11 VAL 70 -8.431 -10.454 -2.453 102 HG12 VAL 70 HG12 VAL 70 -7.289 -9.360 -1.673 103 HG13 VAL 70 HG13 VAL 70 -6.699 -10.757 -2.574 104 HG21 VAL 70 HG21 VAL 70 -8.062 -10.796 -5.011 105 HG22 VAL 70 HG22 VAL 70 -6.313 -10.568 -4.996 106 HG23 VAL 70 HG23 VAL 70 -7.337 -9.476 -5.929 107 H CYS 71 HN CYS 71 -7.412 -6.376 -2.986 108 HA CYS 71 HA CYS 71 -8.322 -6.441 -0.306 109 HB2 CYS 71 HB3 CYS 71 -6.929 -4.306 -1.921 110 HB3 CYS 71 HB2 CYS 71 -7.294 -4.145 -0.192 111 HG CYS 71 HG CYS 71 -5.783 -6.724 -0.825 112 H ARG 72 HN ARG 72 -9.268 -4.643 -3.189 113 HA ARG 72 HA ARG 72 -10.965 -2.799 -1.982 114 HB2 ARG 72 HB3 ARG 72 -10.233 -2.671 -4.336 115 HB3 ARG 72 HB2 ARG 72 -11.251 -4.059 -4.712 116 HG2 ARG 72 HG3 ARG 72 -12.445 -2.033 -5.323 117 HG3 ARG 72 HG2 ARG 72 -13.249 -2.752 -3.934 118 HD2 ARG 72 HD3 ARG 72 -11.110 -0.685 -3.473 119 HD3 ARG 72 HD2 ARG 72 -12.717 -0.163 -3.963 120 HE ARG 72 HE ARG 72 -12.998 -1.969 -1.822 121 HH11 ARG 72 HH21 ARG 72 -11.734 1.169 -2.552 122 HH12 ARG 72 HH22 ARG 72 -11.992 1.796 -0.958 123 HH21 ARG 72 HH11 ARG 72 -13.336 -1.154 0.273 124 HH22 ARG 72 HH12 ARG 72 -12.898 0.481 0.641 125 H LEU 73 HN LEU 73 -11.754 -5.993 -3.353 126 HA LEU 73 HA LEU 73 -14.505 -5.877 -2.618 127 HB2 LEU 73 HB3 LEU 73 -12.638 -7.964 -3.658 128 HB3 LEU 73 HB2 LEU 73 -14.112 -8.539 -2.853 129 HG LEU 73 HG LEU 73 -15.459 -7.076 -4.364 130 HD11 LEU 73 HD11 LEU 73 -13.647 -5.420 -4.837 131 HD12 LEU 73 HD12 LEU 73 -14.399 -6.042 -6.305 132 HD13 LEU 73 HD13 LEU 73 -12.822 -6.643 -5.798 133 HD21 LEU 73 HD21 LEU 73 -15.244 -8.495 -6.308 134 HD22 LEU 73 HD22 LEU 73 -14.923 -9.474 -4.877 135 HD23 LEU 73 HD23 LEU 73 -13.584 -8.910 -5.877 136 H VAL 74 HN VAL 74 -11.632 -7.280 -1.121 137 HA VAL 74 HA VAL 74 -12.929 -8.536 1.042 138 HB VAL 74 HB VAL 74 -10.116 -7.515 0.649 139 HG11 VAL 74 HG11 VAL 74 -10.401 -7.515 3.031 140 HG12 VAL 74 HG12 VAL 74 -9.644 -9.064 2.656 141 HG13 VAL 74 HG13 VAL 74 -11.374 -8.984 2.986 142 HG21 VAL 74 HG21 VAL 74 -11.110 -9.491 -0.678 143 HG22 VAL 74 HG22 VAL 74 -11.134 -10.359 0.856 144 HG23 VAL 74 HG23 VAL 74 -9.603 -9.796 0.187 145 H LEU 75 HN LEU 75 -11.403 -5.300 0.827 146 HA LEU 75 HA LEU 75 -11.926 -4.586 3.510 147 HB2 LEU 75 HB3 LEU 75 -11.531 -2.914 1.022 148 HB3 LEU 75 HB2 LEU 75 -11.722 -2.208 2.637 149 HG LEU 75 HG LEU 75 -9.608 -4.281 1.947 150 HD11 LEU 75 HD11 LEU 75 -9.491 -1.256 1.952 151 HD12 LEU 75 HD12 LEU 75 -9.112 -2.344 0.618 152 HD13 LEU 75 HD13 LEU 75 -8.052 -2.273 2.026 153 HD21 LEU 75 HD21 LEU 75 -8.590 -3.037 4.063 154 HD22 LEU 75 HD22 LEU 75 -9.778 -4.314 4.278 155 HD23 LEU 75 HD23 LEU 75 -10.276 -2.627 4.379 156 H ARG 76 HN ARG 76 -13.762 -4.132 0.524 157 HA ARG 76 HA ARG 76 -15.896 -2.686 1.692 158 HB2 ARG 76 HB3 ARG 76 -15.707 -4.369 -0.804 159 HB3 ARG 76 HB2 ARG 76 -17.177 -3.505 -0.348 160 HG2 ARG 76 HG3 ARG 76 -15.992 -1.379 -0.375 161 HG3 ARG 76 HG2 ARG 76 -14.463 -2.195 -0.684 162 HD2 ARG 76 HD3 ARG 76 -15.308 -3.010 -2.838 163 HD3 ARG 76 HD2 ARG 76 -16.871 -2.262 -2.522 164 HE ARG 76 HE ARG 76 -14.931 -0.253 -2.330 165 HH11 ARG 76 HH21 ARG 76 -16.245 -2.451 -4.657 166 HH12 ARG 76 HH22 ARG 76 -15.952 -1.409 -6.010 167 HH21 ARG 76 HH11 ARG 76 -14.544 1.118 -4.099 168 HH22 ARG 76 HH12 ARG 76 -14.990 0.611 -5.693 169 H CYS 77 HN CYS 77 -15.304 -6.126 1.214 170 HA CYS 77 HA CYS 77 -17.827 -7.096 1.978 171 HB2 CYS 77 HB3 CYS 77 -16.117 -8.490 0.886 172 HB3 CYS 77 HB2 CYS 77 -15.104 -8.380 2.343 173 HG CYS 77 HG CYS 77 -17.787 -9.415 3.161 174 H SER 78 HN SER 78 -14.884 -6.531 3.906 175 HA SER 78 HA SER 78 -15.923 -7.396 6.376 176 HB2 SER 78 HB3 SER 78 -13.524 -7.041 6.011 177 HB3 SER 78 HB2 SER 78 -13.804 -5.300 5.812 178 HG SER 78 HG SER 78 -13.176 -6.227 7.990 179 H MET 79 HN MET 79 -15.860 -4.189 4.854 180 HA MET 79 HA MET 79 -18.176 -3.382 6.433 181 HB2 MET 79 HB3 MET 79 -16.273 -2.770 7.882 182 HB3 MET 79 HB2 MET 79 -15.569 -1.835 6.546 183 HG2 MET 79 HG3 MET 79 -17.501 -0.347 6.519 184 HG3 MET 79 HG2 MET 79 -18.315 -1.325 7.739 185 HE1 MET 79 HE1 MET 79 -14.784 1.519 8.172 186 HE2 MET 79 HE2 MET 79 -15.537 0.885 6.711 187 HE3 MET 79 HE3 MET 79 -14.393 -0.110 7.606 188 H ASP 80 HN ASP 80 -19.438 -1.935 5.368 189 HA ASP 80 HA ASP 80 -18.682 -1.279 2.620 190 HB2 ASP 80 HB3 ASP 80 -21.009 -0.633 2.352 191 HB3 ASP 80 HB2 ASP 80 -20.925 -2.211 3.133 Start of MODEL 2 1 H1 ASP 59 HT1 ASP 59 -5.490 -6.974 5.923 2 H2 ASP 59 HT2 ASP 59 -5.356 -6.132 4.453 3 H3 ASP 59 HT3 ASP 59 -5.064 -5.333 5.923 4 HA ASP 59 HA ASP 59 -3.011 -5.898 4.698 5 HB2 ASP 59 HB3 ASP 59 -2.863 -5.552 7.081 6 HB3 ASP 59 HB2 ASP 59 -3.537 -7.162 7.406 7 H THR 60 HN THR 60 -2.485 -7.264 3.111 8 HA THR 60 HA THR 60 -2.432 -10.127 3.603 9 HB THR 60 HB THR 60 -4.752 -9.708 2.787 10 HG1 THR 60 HG1 THR 60 -3.343 -11.594 2.242 11 HG21 THR 60 HG21 THR 60 -3.543 -9.021 0.119 12 HG22 THR 60 HG22 THR 60 -3.907 -7.750 1.286 13 HG23 THR 60 HG23 THR 60 -5.197 -8.783 0.676 14 H LEU 61 HN LEU 61 -1.324 -11.298 1.877 15 HA LEU 61 HA LEU 61 1.008 -9.964 1.022 16 HB2 LEU 61 HB3 LEU 61 0.931 -12.387 1.423 17 HB3 LEU 61 HB2 LEU 61 -0.175 -12.586 0.068 18 HG LEU 61 HG LEU 61 1.558 -11.721 -1.476 19 HD11 LEU 61 HD11 LEU 61 3.951 -11.676 -0.380 20 HD12 LEU 61 HD12 LEU 61 3.063 -11.362 1.111 21 HD13 LEU 61 HD13 LEU 61 2.918 -10.254 -0.255 22 HD21 LEU 61 HD21 LEU 61 1.413 -14.140 -1.041 23 HD22 LEU 61 HD22 LEU 61 2.504 -13.966 0.335 24 HD23 LEU 61 HD23 LEU 61 3.090 -13.659 -1.301 25 H LEU 62 HN LEU 62 -1.958 -10.880 -0.691 26 HA LEU 62 HA LEU 62 -1.103 -10.029 -3.265 27 HB2 LEU 62 HB3 LEU 62 -3.910 -10.230 -2.156 28 HB3 LEU 62 HB2 LEU 62 -3.479 -10.101 -3.860 29 HG LEU 62 HG LEU 62 -2.645 -12.355 -2.007 30 HD11 LEU 62 HD11 LEU 62 -4.179 -13.699 -3.481 31 HD12 LEU 62 HD12 LEU 62 -4.727 -12.187 -4.201 32 HD13 LEU 62 HD13 LEU 62 -5.012 -12.501 -2.490 33 HD21 LEU 62 HD21 LEU 62 -0.950 -12.304 -3.613 34 HD22 LEU 62 HD22 LEU 62 -2.009 -11.660 -4.868 35 HD23 LEU 62 HD23 LEU 62 -2.118 -13.358 -4.404 36 H GLY 63 HN GLY 63 -1.787 -8.303 -0.485 37 HA2 GLY 63 HA3 GLY 63 -3.110 -6.014 -1.445 38 HA3 GLY 63 HA2 GLY 63 -2.008 -6.050 -0.052 39 H ARG 64 HN ARG 64 0.003 -7.267 -2.051 40 HA ARG 64 HA ARG 64 0.928 -4.698 -3.188 41 HB2 ARG 64 HB3 ARG 64 2.308 -5.932 -1.359 42 HB3 ARG 64 HB2 ARG 64 2.706 -7.073 -2.641 43 HG2 ARG 64 HG3 ARG 64 3.587 -5.225 -4.021 44 HG3 ARG 64 HG2 ARG 64 3.177 -4.076 -2.748 45 HD2 ARG 64 HD3 ARG 64 4.676 -5.318 -1.192 46 HD3 ARG 64 HD2 ARG 64 5.139 -6.376 -2.523 47 HE ARG 64 HE ARG 64 5.570 -3.711 -3.325 48 HH11 ARG 64 HH21 ARG 64 6.710 -6.049 -1.042 49 HH12 ARG 64 HH22 ARG 64 8.319 -5.407 -0.980 50 HH21 ARG 64 HH11 ARG 64 7.677 -2.865 -3.249 51 HH22 ARG 64 HH12 ARG 64 8.866 -3.605 -2.230 52 H MET 65 HN MET 65 -0.981 -6.456 -4.425 53 HA MET 65 HA MET 65 0.384 -6.851 -6.955 54 HB2 MET 65 HB3 MET 65 0.689 -9.007 -5.677 55 HB3 MET 65 HB2 MET 65 -1.067 -9.185 -5.698 56 HG2 MET 65 HG3 MET 65 -1.048 -9.089 -8.170 57 HG3 MET 65 HG2 MET 65 0.719 -8.936 -8.142 58 HE1 MET 65 HE1 MET 65 2.273 -10.415 -7.250 59 HE2 MET 65 HE2 MET 65 2.137 -12.164 -7.118 60 HE3 MET 65 HE3 MET 65 1.632 -11.146 -5.773 61 H LEU 66 HN LEU 66 -2.597 -7.415 -5.108 62 HA LEU 66 HA LEU 66 -4.165 -6.212 -7.324 63 HB2 LEU 66 HB3 LEU 66 -4.956 -8.597 -5.632 64 HB3 LEU 66 HB2 LEU 66 -5.956 -7.826 -6.857 65 HG LEU 66 HG LEU 66 -3.254 -9.085 -7.404 66 HD11 LEU 66 HD11 LEU 66 -6.071 -10.141 -7.733 67 HD12 LEU 66 HD12 LEU 66 -4.758 -10.852 -6.794 68 HD13 LEU 66 HD13 LEU 66 -4.679 -10.845 -8.556 69 HD21 LEU 66 HD21 LEU 66 -4.326 -9.003 -9.806 70 HD22 LEU 66 HD22 LEU 66 -3.617 -7.536 -9.141 71 HD23 LEU 66 HD23 LEU 66 -5.365 -7.759 -9.110 72 HA PRO 67 HA PRO 67 -4.960 -4.362 -3.087 73 HB2 PRO 67 HB3 PRO 67 -4.082 -1.822 -3.585 74 HB3 PRO 67 HB2 PRO 67 -2.990 -3.131 -3.041 75 HG2 PRO 67 HG3 PRO 67 -3.470 -2.091 -5.818 76 HG3 PRO 67 HG2 PRO 67 -1.927 -2.490 -5.008 77 HD2 PRO 67 HD3 PRO 67 -3.146 -4.202 -6.757 78 HD3 PRO 67 HD2 PRO 67 -2.174 -4.776 -5.384 79 H GLN 68 HN GLN 68 -5.628 -3.498 -6.378 80 HA GLN 68 HA GLN 68 -8.006 -1.927 -5.573 81 HB2 GLN 68 HB3 GLN 68 -8.046 -1.113 -7.886 82 HB3 GLN 68 HB2 GLN 68 -6.493 -0.765 -7.102 83 HG2 GLN 68 HG3 GLN 68 -5.508 -2.754 -8.199 84 HG3 GLN 68 HG2 GLN 68 -7.048 -3.086 -8.987 85 HE21 GLN 68 HE21 GLN 68 -4.089 -1.752 -9.612 86 HE22 GLN 68 HE22 GLN 68 -4.539 -0.608 -10.805 87 H LEU 69 HN LEU 69 -8.059 -4.713 -5.258 88 HA LEU 69 HA LEU 69 -10.447 -5.319 -6.681 89 HB2 LEU 69 HB3 LEU 69 -8.884 -5.744 -8.519 90 HB3 LEU 69 HB2 LEU 69 -7.954 -6.831 -7.495 91 HG LEU 69 HG LEU 69 -9.916 -8.324 -7.288 92 HD11 LEU 69 HD11 LEU 69 -11.206 -6.129 -8.905 93 HD12 LEU 69 HD12 LEU 69 -11.833 -6.986 -7.497 94 HD13 LEU 69 HD13 LEU 69 -11.784 -7.787 -9.064 95 HD21 LEU 69 HD21 LEU 69 -8.259 -8.592 -9.143 96 HD22 LEU 69 HD22 LEU 69 -9.309 -7.621 -10.176 97 HD23 LEU 69 HD23 LEU 69 -9.866 -9.180 -9.569 98 H VAL 70 HN VAL 70 -7.691 -7.281 -5.437 99 HA VAL 70 HA VAL 70 -9.408 -9.058 -4.030 100 HB VAL 70 HB VAL 70 -6.463 -8.429 -3.715 101 HG11 VAL 70 HG11 VAL 70 -6.489 -10.682 -2.479 102 HG12 VAL 70 HG12 VAL 70 -8.234 -10.466 -2.343 103 HG13 VAL 70 HG13 VAL 70 -7.142 -9.301 -1.594 104 HG21 VAL 70 HG21 VAL 70 -7.309 -9.500 -5.845 105 HG22 VAL 70 HG22 VAL 70 -7.883 -10.850 -4.867 106 HG23 VAL 70 HG23 VAL 70 -6.158 -10.491 -4.949 107 H CYS 71 HN CYS 71 -7.386 -6.349 -2.937 108 HA CYS 71 HA CYS 71 -8.307 -6.402 -0.251 109 HB2 CYS 71 HB3 CYS 71 -6.943 -4.262 -1.889 110 HB3 CYS 71 HB2 CYS 71 -7.334 -4.079 -0.167 111 HG CYS 71 HG CYS 71 -5.755 -6.631 -0.741 112 H ARG 72 HN ARG 72 -9.234 -4.687 -3.179 113 HA ARG 72 HA ARG 72 -11.015 -2.867 -2.053 114 HB2 ARG 72 HB3 ARG 72 -10.214 -2.763 -4.387 115 HB3 ARG 72 HB2 ARG 72 -11.174 -4.189 -4.764 116 HG2 ARG 72 HG3 ARG 72 -12.410 -2.217 -5.456 117 HG3 ARG 72 HG2 ARG 72 -13.231 -2.933 -4.076 118 HD2 ARG 72 HD3 ARG 72 -11.177 -0.790 -3.593 119 HD3 ARG 72 HD2 ARG 72 -12.781 -0.329 -4.149 120 HE ARG 72 HE ARG 72 -13.066 -2.104 -1.977 121 HH11 ARG 72 HH21 ARG 72 -11.928 1.073 -2.745 122 HH12 ARG 72 HH22 ARG 72 -12.279 1.727 -1.179 123 HH21 ARG 72 HH11 ARG 72 -13.526 -1.254 0.079 124 HH22 ARG 72 HH12 ARG 72 -13.183 0.409 0.419 125 H LEU 73 HN LEU 73 -11.624 -6.114 -3.378 126 HA LEU 73 HA LEU 73 -14.405 -6.143 -2.780 127 HB2 LEU 73 HB3 LEU 73 -12.398 -8.359 -3.255 128 HB3 LEU 73 HB2 LEU 73 -14.132 -8.651 -3.030 129 HG LEU 73 HG LEU 73 -13.009 -6.790 -5.153 130 HD11 LEU 73 HD11 LEU 73 -13.460 -8.663 -6.733 131 HD12 LEU 73 HD12 LEU 73 -13.822 -9.706 -5.359 132 HD13 LEU 73 HD13 LEU 73 -12.195 -9.060 -5.570 133 HD21 LEU 73 HD21 LEU 73 -15.744 -7.887 -4.482 134 HD22 LEU 73 HD22 LEU 73 -15.358 -7.466 -6.148 135 HD23 LEU 73 HD23 LEU 73 -15.282 -6.238 -4.894 136 H VAL 74 HN VAL 74 -11.543 -7.314 -1.088 137 HA VAL 74 HA VAL 74 -12.880 -8.557 1.062 138 HB VAL 74 HB VAL 74 -10.088 -7.462 0.727 139 HG11 VAL 74 HG11 VAL 74 -11.379 -8.886 3.075 140 HG12 VAL 74 HG12 VAL 74 -10.449 -7.388 3.098 141 HG13 VAL 74 HG13 VAL 74 -9.637 -8.926 2.803 142 HG21 VAL 74 HG21 VAL 74 -11.018 -10.330 1.013 143 HG22 VAL 74 HG22 VAL 74 -9.494 -9.737 0.354 144 HG23 VAL 74 HG23 VAL 74 -10.990 -9.520 -0.553 145 H LEU 75 HN LEU 75 -11.447 -5.282 0.807 146 HA LEU 75 HA LEU 75 -12.071 -4.522 3.454 147 HB2 LEU 75 HB3 LEU 75 -11.659 -2.893 0.939 148 HB3 LEU 75 HB2 LEU 75 -11.909 -2.160 2.534 149 HG LEU 75 HG LEU 75 -9.722 -4.183 1.933 150 HD11 LEU 75 HD11 LEU 75 -9.381 -2.155 0.591 151 HD12 LEU 75 HD12 LEU 75 -8.196 -2.230 1.895 152 HD13 LEU 75 HD13 LEU 75 -9.587 -1.155 2.027 153 HD21 LEU 75 HD21 LEU 75 -8.799 -2.872 4.060 154 HD22 LEU 75 HD22 LEU 75 -9.940 -4.194 4.258 155 HD23 LEU 75 HD23 LEU 75 -10.507 -2.528 4.326 156 H ARG 76 HN ARG 76 -13.840 -4.150 0.411 157 HA ARG 76 HA ARG 76 -16.033 -2.763 1.541 158 HB2 ARG 76 HB3 ARG 76 -15.747 -4.410 -0.970 159 HB3 ARG 76 HB2 ARG 76 -17.257 -3.606 -0.531 160 HG2 ARG 76 HG3 ARG 76 -15.987 -1.443 -0.374 161 HG3 ARG 76 HG2 ARG 76 -14.566 -2.286 -0.986 162 HD2 ARG 76 HD3 ARG 76 -17.210 -2.206 -2.451 163 HD3 ARG 76 HD2 ARG 76 -15.908 -1.059 -2.743 164 HE ARG 76 HE ARG 76 -14.838 -3.641 -2.971 165 HH11 ARG 76 HH21 ARG 76 -17.174 -1.583 -4.480 166 HH12 ARG 76 HH22 ARG 76 -16.954 -2.256 -6.060 167 HH21 ARG 76 HH11 ARG 76 -14.539 -4.525 -5.046 168 HH22 ARG 76 HH12 ARG 76 -15.462 -3.921 -6.380 169 H CYS 77 HN CYS 77 -15.327 -6.180 1.095 170 HA CYS 77 HA CYS 77 -17.840 -7.223 1.778 171 HB2 CYS 77 HB3 CYS 77 -16.055 -8.571 0.765 172 HB3 CYS 77 HB2 CYS 77 -15.095 -8.416 2.253 173 HG CYS 77 HG CYS 77 -17.764 -9.529 2.997 174 H SER 78 HN SER 78 -14.996 -6.563 3.843 175 HA SER 78 HA SER 78 -16.479 -7.277 6.242 176 HB2 SER 78 HB3 SER 78 -13.690 -6.180 5.819 177 HB3 SER 78 HB2 SER 78 -14.369 -6.595 7.405 178 HG SER 78 HG SER 78 -13.487 -8.460 6.829 179 H MET 79 HN MET 79 -14.532 -4.353 5.605 180 HA MET 79 HA MET 79 -16.365 -2.790 7.244 181 HB2 MET 79 HB3 MET 79 -14.720 -0.981 6.991 182 HB3 MET 79 HB2 MET 79 -13.950 -2.479 7.547 183 HG2 MET 79 HG3 MET 79 -13.213 -2.961 5.248 184 HG3 MET 79 HG2 MET 79 -14.010 -1.500 4.669 185 HE1 MET 79 HE1 MET 79 -11.705 -2.061 8.045 186 HE2 MET 79 HE2 MET 79 -10.206 -1.971 7.126 187 HE3 MET 79 HE3 MET 79 -11.416 -3.174 6.699 188 H ASP 80 HN ASP 80 -17.306 -0.819 6.530 189 HA ASP 80 HA ASP 80 -17.487 -0.321 3.655 190 HB2 ASP 80 HB3 ASP 80 -19.912 -0.479 3.592 191 HB3 ASP 80 HB2 ASP 80 -19.240 -2.023 4.114 Start of MODEL 3 1 H1 ASP 59 HT1 ASP 59 -1.796 -4.787 2.996 2 H2 ASP 59 HT2 ASP 59 -0.730 -5.464 1.861 3 H3 ASP 59 HT3 ASP 59 -0.508 -3.864 2.390 4 HA ASP 59 HA ASP 59 1.012 -4.790 3.741 5 HB2 ASP 59 HB3 ASP 59 -0.790 -3.954 5.216 6 HB3 ASP 59 HB2 ASP 59 -1.561 -5.554 5.164 7 H THR 60 HN THR 60 -1.536 -7.037 2.850 8 HA THR 60 HA THR 60 -0.053 -9.376 3.708 9 HB THR 60 HB THR 60 -1.926 -10.633 2.781 10 HG1 THR 60 HG1 THR 60 -3.623 -8.843 2.055 11 HG21 THR 60 HG21 THR 60 -2.806 -8.145 4.272 12 HG22 THR 60 HG22 THR 60 -2.210 -9.635 5.004 13 HG23 THR 60 HG23 THR 60 -3.744 -9.632 4.132 14 H LEU 61 HN LEU 61 0.375 -11.144 2.145 15 HA LEU 61 HA LEU 61 2.095 -10.262 0.088 16 HB2 LEU 61 HB3 LEU 61 2.378 -12.431 1.200 17 HB3 LEU 61 HB2 LEU 61 0.848 -12.989 0.527 18 HG LEU 61 HG LEU 61 1.762 -12.739 -1.760 19 HD11 LEU 61 HD11 LEU 61 4.379 -12.464 -1.779 20 HD12 LEU 61 HD12 LEU 61 4.125 -11.661 -0.230 21 HD13 LEU 61 HD13 LEU 61 3.362 -11.028 -1.689 22 HD21 LEU 61 HD21 LEU 61 3.558 -14.337 0.092 23 HD22 LEU 61 HD22 LEU 61 3.360 -14.608 -1.639 24 HD23 LEU 61 HD23 LEU 61 2.006 -14.883 -0.545 25 H LEU 62 HN LEU 62 -1.192 -11.618 0.017 26 HA LEU 62 HA LEU 62 -1.472 -11.583 -2.799 27 HB2 LEU 62 HB3 LEU 62 -2.966 -12.879 -1.337 28 HB3 LEU 62 HB2 LEU 62 -3.596 -11.382 -0.654 29 HG LEU 62 HG LEU 62 -4.424 -10.707 -2.886 30 HD11 LEU 62 HD11 LEU 62 -3.052 -13.270 -3.686 31 HD12 LEU 62 HD12 LEU 62 -3.042 -11.702 -4.494 32 HD13 LEU 62 HD13 LEU 62 -4.469 -12.728 -4.587 33 HD21 LEU 62 HD21 LEU 62 -5.996 -11.861 -1.503 34 HD22 LEU 62 HD22 LEU 62 -5.243 -13.422 -1.832 35 HD23 LEU 62 HD23 LEU 62 -6.134 -12.588 -3.105 36 H GLY 63 HN GLY 63 -2.298 -9.233 -0.268 37 HA2 GLY 63 HA3 GLY 63 -3.571 -7.335 -1.902 38 HA3 GLY 63 HA2 GLY 63 -2.724 -6.974 -0.380 39 H ARG 64 HN ARG 64 -0.275 -8.284 -1.539 40 HA ARG 64 HA ARG 64 0.841 -5.894 -2.718 41 HB2 ARG 64 HB3 ARG 64 1.997 -7.543 -1.071 42 HB3 ARG 64 HB2 ARG 64 2.271 -8.539 -2.498 43 HG2 ARG 64 HG3 ARG 64 3.437 -6.673 -3.599 44 HG3 ARG 64 HG2 ARG 64 3.133 -5.645 -2.199 45 HD2 ARG 64 HD3 ARG 64 4.433 -7.190 -0.782 46 HD3 ARG 64 HD2 ARG 64 4.735 -8.218 -2.179 47 HE ARG 64 HE ARG 64 6.318 -6.676 -2.924 48 HH11 ARG 64 HH21 ARG 64 4.392 -5.388 -0.353 49 HH12 ARG 64 HH22 ARG 64 5.379 -3.981 -0.135 50 HH21 ARG 64 HH11 ARG 64 7.617 -4.836 -2.641 51 HH22 ARG 64 HH12 ARG 64 7.205 -3.668 -1.429 52 H MET 65 HN MET 65 -1.270 -7.268 -4.177 53 HA MET 65 HA MET 65 0.093 -7.485 -6.746 54 HB2 MET 65 HB3 MET 65 -0.022 -9.816 -5.627 55 HB3 MET 65 HB2 MET 65 -1.755 -9.728 -5.938 56 HG2 MET 65 HG3 MET 65 -0.751 -10.868 -7.811 57 HG3 MET 65 HG2 MET 65 -1.203 -9.242 -8.363 58 HE1 MET 65 HE1 MET 65 1.993 -10.198 -10.300 59 HE2 MET 65 HE2 MET 65 0.695 -9.019 -10.463 60 HE3 MET 65 HE3 MET 65 0.312 -10.685 -10.047 61 H LEU 66 HN LEU 66 -2.988 -7.806 -4.994 62 HA LEU 66 HA LEU 66 -4.294 -6.152 -7.084 63 HB2 LEU 66 HB3 LEU 66 -5.489 -8.552 -5.676 64 HB3 LEU 66 HB2 LEU 66 -6.325 -7.505 -6.819 65 HG LEU 66 HG LEU 66 -3.828 -9.098 -7.477 66 HD11 LEU 66 HD11 LEU 66 -5.439 -10.520 -8.795 67 HD12 LEU 66 HD12 LEU 66 -6.759 -9.672 -7.994 68 HD13 LEU 66 HD13 LEU 66 -5.635 -10.647 -7.048 69 HD21 LEU 66 HD21 LEU 66 -5.680 -7.295 -9.043 70 HD22 LEU 66 HD22 LEU 66 -4.823 -8.598 -9.863 71 HD23 LEU 66 HD23 LEU 66 -3.918 -7.335 -9.037 72 HA PRO 67 HA PRO 67 -4.914 -4.658 -2.690 73 HB2 PRO 67 HB3 PRO 67 -3.660 -2.238 -2.902 74 HB3 PRO 67 HB2 PRO 67 -2.787 -3.742 -2.489 75 HG2 PRO 67 HG3 PRO 67 -3.031 -2.354 -5.140 76 HG3 PRO 67 HG2 PRO 67 -1.588 -3.073 -4.365 77 HD2 PRO 67 HD3 PRO 67 -3.016 -4.374 -6.306 78 HD3 PRO 67 HD2 PRO 67 -2.166 -5.237 -5.006 79 H GLN 68 HN GLN 68 -5.318 -3.325 -5.866 80 HA GLN 68 HA GLN 68 -7.490 -1.541 -4.941 81 HB2 GLN 68 HB3 GLN 68 -7.318 -0.474 -7.149 82 HB3 GLN 68 HB2 GLN 68 -5.773 -0.432 -6.278 83 HG2 GLN 68 HG3 GLN 68 -4.994 -2.390 -7.569 84 HG3 GLN 68 HG2 GLN 68 -6.529 -2.442 -8.432 85 HE21 GLN 68 HE21 GLN 68 -3.405 -1.418 -8.814 86 HE22 GLN 68 HE22 GLN 68 -3.667 -0.110 -9.888 87 H LEU 69 HN LEU 69 -7.967 -4.284 -4.936 88 HA LEU 69 HA LEU 69 -10.327 -4.386 -6.517 89 HB2 LEU 69 HB3 LEU 69 -8.265 -4.953 -8.097 90 HB3 LEU 69 HB2 LEU 69 -8.394 -6.536 -7.343 91 HG LEU 69 HG LEU 69 -10.699 -5.089 -8.693 92 HD11 LEU 69 HD11 LEU 69 -9.035 -5.692 -10.356 93 HD12 LEU 69 HD12 LEU 69 -10.383 -6.824 -10.469 94 HD13 LEU 69 HD13 LEU 69 -8.886 -7.311 -9.671 95 HD21 LEU 69 HD21 LEU 69 -11.566 -6.616 -7.078 96 HD22 LEU 69 HD22 LEU 69 -10.345 -7.829 -7.458 97 HD23 LEU 69 HD23 LEU 69 -11.631 -7.482 -8.613 98 H VAL 70 HN VAL 70 -7.995 -6.902 -5.406 99 HA VAL 70 HA VAL 70 -10.061 -8.474 -4.248 100 HB VAL 70 HB VAL 70 -7.070 -8.439 -3.791 101 HG11 VAL 70 HG11 VAL 70 -7.576 -10.774 -2.834 102 HG12 VAL 70 HG12 VAL 70 -9.250 -10.239 -2.707 103 HG13 VAL 70 HG13 VAL 70 -7.986 -9.400 -1.808 104 HG21 VAL 70 HG21 VAL 70 -7.101 -10.402 -5.230 105 HG22 VAL 70 HG22 VAL 70 -7.954 -9.095 -6.056 106 HG23 VAL 70 HG23 VAL 70 -8.864 -10.388 -5.273 107 H CYS 71 HN CYS 71 -7.633 -6.316 -2.812 108 HA CYS 71 HA CYS 71 -8.643 -6.498 -0.166 109 HB2 CYS 71 HB3 CYS 71 -6.897 -4.445 -1.529 110 HB3 CYS 71 HB2 CYS 71 -7.298 -4.402 0.199 111 HG CYS 71 HG CYS 71 -6.148 -7.099 -0.644 112 H ARG 72 HN ARG 72 -9.164 -4.331 -2.889 113 HA ARG 72 HA ARG 72 -10.659 -2.377 -1.582 114 HB2 ARG 72 HB3 ARG 72 -9.771 -2.127 -3.869 115 HB3 ARG 72 HB2 ARG 72 -10.923 -3.331 -4.438 116 HG2 ARG 72 HG3 ARG 72 -11.796 -1.103 -4.902 117 HG3 ARG 72 HG2 ARG 72 -12.789 -1.859 -3.665 118 HD2 ARG 72 HD3 ARG 72 -10.465 -0.154 -2.811 119 HD3 ARG 72 HD2 ARG 72 -11.946 0.628 -3.356 120 HE ARG 72 HE ARG 72 -12.656 -1.336 -1.478 121 HH11 ARG 72 HH21 ARG 72 -10.884 1.628 -1.707 122 HH12 ARG 72 HH22 ARG 72 -11.189 2.099 -0.068 123 HH21 ARG 72 HH11 ARG 72 -13.058 -0.726 0.674 124 HH22 ARG 72 HH12 ARG 72 -12.419 0.765 1.279 125 H LEU 73 HN LEU 73 -11.743 -5.302 -3.290 126 HA LEU 73 HA LEU 73 -14.503 -4.930 -2.750 127 HB2 LEU 73 HB3 LEU 73 -13.722 -6.379 -4.557 128 HB3 LEU 73 HB2 LEU 73 -12.969 -7.462 -3.369 129 HG LEU 73 HG LEU 73 -15.185 -7.944 -2.395 130 HD11 LEU 73 HD11 LEU 73 -16.530 -6.045 -2.705 131 HD12 LEU 73 HD12 LEU 73 -17.178 -7.139 -3.922 132 HD13 LEU 73 HD13 LEU 73 -16.057 -5.860 -4.394 133 HD21 LEU 73 HD21 LEU 73 -16.158 -9.070 -4.448 134 HD22 LEU 73 HD22 LEU 73 -14.458 -9.417 -4.139 135 HD23 LEU 73 HD23 LEU 73 -14.907 -8.255 -5.387 136 H VAL 74 HN VAL 74 -11.957 -6.804 -1.182 137 HA VAL 74 HA VAL 74 -13.552 -8.019 0.794 138 HB VAL 74 HB VAL 74 -10.603 -7.393 0.630 139 HG11 VAL 74 HG11 VAL 74 -10.478 -9.147 2.517 140 HG12 VAL 74 HG12 VAL 74 -12.197 -8.842 2.768 141 HG13 VAL 74 HG13 VAL 74 -11.030 -7.538 2.989 142 HG21 VAL 74 HG21 VAL 74 -10.394 -9.683 0.000 143 HG22 VAL 74 HG22 VAL 74 -11.787 -9.094 -0.909 144 HG23 VAL 74 HG23 VAL 74 -12.027 -10.065 0.544 145 H LEU 75 HN LEU 75 -11.598 -5.016 0.930 146 HA LEU 75 HA LEU 75 -12.155 -4.468 3.645 147 HB2 LEU 75 HB3 LEU 75 -11.432 -2.656 1.333 148 HB3 LEU 75 HB2 LEU 75 -11.620 -2.066 2.995 149 HG LEU 75 HG LEU 75 -9.743 -4.328 2.219 150 HD11 LEU 75 HD11 LEU 75 -9.234 -1.355 2.514 151 HD12 LEU 75 HD12 LEU 75 -8.970 -2.347 1.079 152 HD13 LEU 75 HD13 LEU 75 -7.953 -2.567 2.502 153 HD21 LEU 75 HD21 LEU 75 -10.329 -2.800 4.751 154 HD22 LEU 75 HD22 LEU 75 -8.691 -3.388 4.474 155 HD23 LEU 75 HD23 LEU 75 -10.034 -4.523 4.530 156 H ARG 76 HN ARG 76 -13.788 -3.533 0.649 157 HA ARG 76 HA ARG 76 -15.779 -1.940 1.884 158 HB2 ARG 76 HB3 ARG 76 -15.705 -3.416 -0.743 159 HB3 ARG 76 HB2 ARG 76 -17.085 -2.436 -0.245 160 HG2 ARG 76 HG3 ARG 76 -15.606 -0.475 -0.002 161 HG3 ARG 76 HG2 ARG 76 -14.228 -1.451 -0.507 162 HD2 ARG 76 HD3 ARG 76 -16.709 -1.037 -2.193 163 HD3 ARG 76 HD2 ARG 76 -15.240 -0.080 -2.360 164 HE ARG 76 HE ARG 76 -14.478 -2.756 -2.532 165 HH11 ARG 76 HH21 ARG 76 -16.506 -0.499 -4.194 166 HH12 ARG 76 HH22 ARG 76 -16.303 -1.247 -5.744 167 HH21 ARG 76 HH11 ARG 76 -14.205 -3.741 -4.561 168 HH22 ARG 76 HH12 ARG 76 -14.999 -3.082 -5.951 169 H CYS 77 HN CYS 77 -15.571 -5.366 1.103 170 HA CYS 77 HA CYS 77 -18.209 -6.107 1.714 171 HB2 CYS 77 HB3 CYS 77 -16.622 -7.580 0.541 172 HB3 CYS 77 HB2 CYS 77 -15.660 -7.718 2.028 173 HG CYS 77 HG CYS 77 -18.484 -8.512 2.646 174 H SER 78 HN SER 78 -15.297 -6.021 3.754 175 HA SER 78 HA SER 78 -16.476 -7.011 6.106 176 HB2 SER 78 HB3 SER 78 -14.049 -6.840 5.823 177 HB3 SER 78 HB2 SER 78 -14.169 -5.069 5.789 178 HG SER 78 HG SER 78 -13.651 -5.818 7.873 179 H MET 79 HN MET 79 -16.133 -3.690 4.890 180 HA MET 79 HA MET 79 -17.498 -2.581 7.208 181 HB2 MET 79 HB3 MET 79 -16.515 -1.316 4.637 182 HB3 MET 79 HB2 MET 79 -17.226 -0.423 6.000 183 HG2 MET 79 HG3 MET 79 -15.447 -1.242 7.482 184 HG3 MET 79 HG2 MET 79 -14.757 -2.186 6.163 185 HE1 MET 79 HE1 MET 79 -12.047 0.433 6.424 186 HE2 MET 79 HE2 MET 79 -12.578 -1.229 6.663 187 HE3 MET 79 HE3 MET 79 -13.013 0.003 7.843 188 H ASP 80 HN ASP 80 -18.435 -4.016 4.301 189 HA ASP 80 HA ASP 80 -21.193 -3.138 4.694 190 HB2 ASP 80 HB3 ASP 80 -20.273 -1.460 3.133 191 HB3 ASP 80 HB2 ASP 80 -19.788 -2.754 2.040 Start of MODEL 4 1 H1 ASP 59 HT1 ASP 59 -1.980 -5.088 3.104 2 H2 ASP 59 HT2 ASP 59 -0.842 -5.493 1.909 3 H3 ASP 59 HT3 ASP 59 -0.853 -3.933 2.582 4 HA ASP 59 HA ASP 59 0.811 -4.746 3.837 5 HB2 ASP 59 HB3 ASP 59 -1.062 -4.304 5.389 6 HB3 ASP 59 HB2 ASP 59 -1.606 -5.985 5.198 7 H THR 60 HN THR 60 -1.411 -7.252 2.774 8 HA THR 60 HA THR 60 0.408 -9.416 3.416 9 HB THR 60 HB THR 60 -1.287 -10.849 2.399 10 HG1 THR 60 HG1 THR 60 -3.250 -9.361 1.818 11 HG21 THR 60 HG21 THR 60 -2.601 -8.672 4.047 12 HG22 THR 60 HG22 THR 60 -1.609 -9.965 4.722 13 HG23 THR 60 HG23 THR 60 -3.123 -10.350 3.906 14 H LEU 61 HN LEU 61 1.039 -10.974 1.699 15 HA LEU 61 HA LEU 61 2.569 -9.686 -0.300 16 HB2 LEU 61 HB3 LEU 61 1.748 -12.577 0.045 17 HB3 LEU 61 HB2 LEU 61 2.876 -12.030 -1.191 18 HG LEU 61 HG LEU 61 3.251 -11.534 1.778 19 HD11 LEU 61 HD11 LEU 61 4.979 -13.337 1.607 20 HD12 LEU 61 HD12 LEU 61 4.404 -13.684 -0.022 21 HD13 LEU 61 HD13 LEU 61 3.336 -13.927 1.361 22 HD21 LEU 61 HD21 LEU 61 5.717 -11.316 0.799 23 HD22 LEU 61 HD22 LEU 61 4.610 -9.948 0.728 24 HD23 LEU 61 HD23 LEU 61 4.864 -10.950 -0.701 25 H LEU 62 HN LEU 62 -0.554 -11.343 -0.364 26 HA LEU 62 HA LEU 62 -0.920 -11.261 -3.168 27 HB2 LEU 62 HB3 LEU 62 -2.273 -12.694 -1.700 28 HB3 LEU 62 HB2 LEU 62 -2.985 -11.263 -0.957 29 HG LEU 62 HG LEU 62 -3.928 -10.594 -3.149 30 HD11 LEU 62 HD11 LEU 62 -3.887 -12.569 -4.898 31 HD12 LEU 62 HD12 LEU 62 -2.411 -13.036 -4.053 32 HD13 LEU 62 HD13 LEU 62 -2.529 -11.450 -4.818 33 HD21 LEU 62 HD21 LEU 62 -4.524 -13.378 -2.129 34 HD22 LEU 62 HD22 LEU 62 -5.502 -12.594 -3.367 35 HD23 LEU 62 HD23 LEU 62 -5.380 -11.881 -1.757 36 H GLY 63 HN GLY 63 -1.848 -9.049 -0.549 37 HA2 GLY 63 HA3 GLY 63 -3.283 -7.195 -2.106 38 HA3 GLY 63 HA2 GLY 63 -2.445 -6.824 -0.583 39 H ARG 64 HN ARG 64 0.071 -7.928 -1.816 40 HA ARG 64 HA ARG 64 1.016 -5.434 -2.911 41 HB2 ARG 64 HB3 ARG 64 2.284 -7.134 -1.363 42 HB3 ARG 64 HB2 ARG 64 2.633 -7.973 -2.869 43 HG2 ARG 64 HG3 ARG 64 4.480 -6.543 -2.656 44 HG3 ARG 64 HG2 ARG 64 3.418 -5.630 -3.723 45 HD2 ARG 64 HD3 ARG 64 2.659 -4.240 -1.890 46 HD3 ARG 64 HD2 ARG 64 3.480 -5.258 -0.712 47 HE ARG 64 HE ARG 64 5.411 -4.331 -2.515 48 HH11 ARG 64 HH21 ARG 64 3.178 -3.126 -0.161 49 HH12 ARG 64 HH22 ARG 64 4.154 -1.759 0.265 50 HH21 ARG 64 HH11 ARG 64 6.694 -2.541 -1.961 51 HH22 ARG 64 HH12 ARG 64 6.143 -1.428 -0.753 52 H MET 65 HN MET 65 -1.026 -6.914 -4.392 53 HA MET 65 HA MET 65 0.294 -6.890 -6.991 54 HB2 MET 65 HB3 MET 65 0.508 -9.246 -6.143 55 HB3 MET 65 HB2 MET 65 -1.251 -9.331 -6.091 56 HG2 MET 65 HG3 MET 65 -0.492 -10.299 -8.190 57 HG3 MET 65 HG2 MET 65 -1.310 -8.763 -8.530 58 HE1 MET 65 HE1 MET 65 2.508 -9.621 -7.272 59 HE2 MET 65 HE2 MET 65 3.101 -9.857 -8.913 60 HE3 MET 65 HE3 MET 65 1.758 -10.828 -8.323 61 H LEU 66 HN LEU 66 -2.703 -7.525 -5.185 62 HA LEU 66 HA LEU 66 -4.196 -5.926 -7.193 63 HB2 LEU 66 HB3 LEU 66 -5.152 -8.451 -5.819 64 HB3 LEU 66 HB2 LEU 66 -6.097 -7.455 -6.919 65 HG LEU 66 HG LEU 66 -3.491 -8.813 -7.671 66 HD11 LEU 66 HD11 LEU 66 -6.374 -9.635 -8.105 67 HD12 LEU 66 HD12 LEU 66 -5.122 -10.533 -7.247 68 HD13 LEU 66 HD13 LEU 66 -5.021 -10.330 -8.995 69 HD21 LEU 66 HD21 LEU 66 -5.535 -7.154 -9.156 70 HD22 LEU 66 HD22 LEU 66 -4.576 -8.354 -10.021 71 HD23 LEU 66 HD23 LEU 66 -3.777 -7.029 -9.184 72 HA PRO 67 HA PRO 67 -4.823 -4.599 -2.745 73 HB2 PRO 67 HB3 PRO 67 -3.750 -2.093 -2.903 74 HB3 PRO 67 HB2 PRO 67 -2.760 -3.542 -2.562 75 HG2 PRO 67 HG3 PRO 67 -3.171 -2.093 -5.159 76 HG3 PRO 67 HG2 PRO 67 -1.661 -2.725 -4.441 77 HD2 PRO 67 HD3 PRO 67 -3.040 -4.069 -6.392 78 HD3 PRO 67 HD2 PRO 67 -2.093 -4.905 -5.141 79 H GLN 68 HN GLN 68 -5.390 -3.190 -5.871 80 HA GLN 68 HA GLN 68 -7.649 -1.587 -4.836 81 HB2 GLN 68 HB3 GLN 68 -7.606 -0.439 -7.006 82 HB3 GLN 68 HB2 GLN 68 -6.037 -0.332 -6.181 83 HG2 GLN 68 HG3 GLN 68 -5.192 -2.202 -7.560 84 HG3 GLN 68 HG2 GLN 68 -6.745 -2.307 -8.382 85 HE21 GLN 68 HE21 GLN 68 -3.695 -1.111 -8.820 86 HE22 GLN 68 HE22 GLN 68 -4.054 0.223 -9.833 87 H LEU 69 HN LEU 69 -7.944 -4.362 -4.918 88 HA LEU 69 HA LEU 69 -10.345 -4.559 -6.433 89 HB2 LEU 69 HB3 LEU 69 -8.781 -4.861 -8.294 90 HB3 LEU 69 HB2 LEU 69 -7.970 -6.155 -7.419 91 HG LEU 69 HG LEU 69 -10.057 -7.487 -7.447 92 HD11 LEU 69 HD11 LEU 69 -11.118 -4.986 -8.756 93 HD12 LEU 69 HD12 LEU 69 -11.848 -5.973 -7.487 94 HD13 LEU 69 HD13 LEU 69 -11.831 -6.551 -9.150 95 HD21 LEU 69 HD21 LEU 69 -9.372 -6.460 -10.215 96 HD22 LEU 69 HD22 LEU 69 -9.997 -8.055 -9.796 97 HD23 LEU 69 HD23 LEU 69 -8.365 -7.593 -9.312 98 H VAL 70 HN VAL 70 -7.807 -6.933 -5.477 99 HA VAL 70 HA VAL 70 -9.715 -8.702 -4.331 100 HB VAL 70 HB VAL 70 -6.725 -8.447 -3.941 101 HG11 VAL 70 HG11 VAL 70 -7.022 -10.847 -3.058 102 HG12 VAL 70 HG12 VAL 70 -8.729 -10.450 -2.875 103 HG13 VAL 70 HG13 VAL 70 -7.512 -9.546 -1.973 104 HG21 VAL 70 HG21 VAL 70 -7.638 -9.094 -6.205 105 HG22 VAL 70 HG22 VAL 70 -8.388 -10.496 -5.440 106 HG23 VAL 70 HG23 VAL 70 -6.630 -10.336 -5.460 107 H CYS 71 HN CYS 71 -7.425 -6.413 -2.869 108 HA CYS 71 HA CYS 71 -8.369 -6.761 -0.212 109 HB2 CYS 71 HB3 CYS 71 -6.785 -4.550 -1.530 110 HB3 CYS 71 HB2 CYS 71 -7.157 -4.588 0.203 111 HG CYS 71 HG CYS 71 -5.835 -7.167 -0.778 112 H ARG 72 HN ARG 72 -9.084 -4.551 -2.857 113 HA ARG 72 HA ARG 72 -10.723 -2.763 -1.471 114 HB2 ARG 72 HB3 ARG 72 -9.858 -2.375 -3.757 115 HB3 ARG 72 HB2 ARG 72 -10.937 -3.630 -4.358 116 HG2 ARG 72 HG3 ARG 72 -11.990 -1.486 -4.748 117 HG3 ARG 72 HG2 ARG 72 -12.884 -2.303 -3.472 118 HD2 ARG 72 HD3 ARG 72 -10.638 -0.447 -2.717 119 HD3 ARG 72 HD2 ARG 72 -12.190 0.233 -3.193 120 HE ARG 72 HE ARG 72 -12.671 -1.777 -1.287 121 HH11 ARG 72 HH21 ARG 72 -11.159 1.319 -1.602 122 HH12 ARG 72 HH22 ARG 72 -11.433 1.775 0.046 123 HH21 ARG 72 HH11 ARG 72 -13.034 -1.185 0.878 124 HH22 ARG 72 HH12 ARG 72 -12.495 0.357 1.450 125 H LEU 73 HN LEU 73 -11.549 -5.702 -3.288 126 HA LEU 73 HA LEU 73 -14.334 -5.594 -2.760 127 HB2 LEU 73 HB3 LEU 73 -13.413 -6.907 -4.606 128 HB3 LEU 73 HB2 LEU 73 -12.574 -7.958 -3.449 129 HG LEU 73 HG LEU 73 -14.746 -8.668 -2.511 130 HD11 LEU 73 HD11 LEU 73 -16.253 -6.887 -2.776 131 HD12 LEU 73 HD12 LEU 73 -16.789 -7.993 -4.035 132 HD13 LEU 73 HD13 LEU 73 -15.785 -6.605 -4.452 133 HD21 LEU 73 HD21 LEU 73 -13.873 -10.011 -4.295 134 HD22 LEU 73 HD22 LEU 73 -14.419 -8.853 -5.509 135 HD23 LEU 73 HD23 LEU 73 -15.598 -9.809 -4.610 136 H VAL 74 HN VAL 74 -11.646 -7.307 -1.235 137 HA VAL 74 HA VAL 74 -13.152 -8.709 0.689 138 HB VAL 74 HB VAL 74 -10.262 -7.837 0.567 139 HG11 VAL 74 HG11 VAL 74 -11.745 -9.471 2.653 140 HG12 VAL 74 HG12 VAL 74 -10.691 -8.082 2.918 141 HG13 VAL 74 HG13 VAL 74 -10.005 -9.626 2.408 142 HG21 VAL 74 HG21 VAL 74 -11.302 -9.593 -1.022 143 HG22 VAL 74 HG22 VAL 74 -11.455 -10.618 0.403 144 HG23 VAL 74 HG23 VAL 74 -9.862 -10.080 -0.130 145 H LEU 75 HN LEU 75 -11.397 -5.598 0.948 146 HA LEU 75 HA LEU 75 -12.071 -5.143 3.656 147 HB2 LEU 75 HB3 LEU 75 -11.356 -3.245 1.410 148 HB3 LEU 75 HB2 LEU 75 -11.612 -2.712 3.082 149 HG LEU 75 HG LEU 75 -9.622 -4.868 2.288 150 HD11 LEU 75 HD11 LEU 75 -9.259 -1.888 2.682 151 HD12 LEU 75 HD12 LEU 75 -8.889 -2.833 1.238 152 HD13 LEU 75 HD13 LEU 75 -7.921 -3.035 2.699 153 HD21 LEU 75 HD21 LEU 75 -10.342 -3.456 4.854 154 HD22 LEU 75 HD22 LEU 75 -8.673 -3.966 4.604 155 HD23 LEU 75 HD23 LEU 75 -9.967 -5.157 4.581 156 H ARG 76 HN ARG 76 -13.628 -4.239 0.617 157 HA ARG 76 HA ARG 76 -15.724 -2.731 1.762 158 HB2 ARG 76 HB3 ARG 76 -15.501 -4.229 -0.852 159 HB3 ARG 76 HB2 ARG 76 -16.901 -3.242 -0.432 160 HG2 ARG 76 HG3 ARG 76 -14.130 -2.062 -0.258 161 HG3 ARG 76 HG2 ARG 76 -14.936 -2.175 -1.821 162 HD2 ARG 76 HD3 ARG 76 -16.866 -0.917 -0.900 163 HD3 ARG 76 HD2 ARG 76 -16.026 -0.769 0.640 164 HE ARG 76 HE ARG 76 -14.338 0.220 -1.379 165 HH11 ARG 76 HH21 ARG 76 -17.348 0.903 0.185 166 HH12 ARG 76 HH22 ARG 76 -17.240 2.615 -0.048 167 HH21 ARG 76 HH11 ARG 76 -14.187 2.465 -1.685 168 HH22 ARG 76 HH12 ARG 76 -15.448 3.500 -1.106 169 H CYS 77 HN CYS 77 -15.370 -6.145 0.983 170 HA CYS 77 HA CYS 77 -18.010 -6.962 1.495 171 HB2 CYS 77 HB3 CYS 77 -16.354 -8.379 0.352 172 HB3 CYS 77 HB2 CYS 77 -15.427 -8.507 1.863 173 HG CYS 77 HG CYS 77 -18.217 -9.389 2.445 174 H SER 78 HN SER 78 -15.156 -6.871 3.624 175 HA SER 78 HA SER 78 -16.435 -7.878 5.928 176 HB2 SER 78 HB3 SER 78 -14.034 -6.059 5.628 177 HB3 SER 78 HB2 SER 78 -14.541 -6.797 7.162 178 HG SER 78 HG SER 78 -13.356 -8.399 6.467 179 H MET 79 HN MET 79 -16.017 -4.582 4.704 180 HA MET 79 HA MET 79 -18.266 -3.684 6.333 181 HB2 MET 79 HB3 MET 79 -16.299 -3.382 7.815 182 HB3 MET 79 HB2 MET 79 -15.541 -2.373 6.566 183 HG2 MET 79 HG3 MET 79 -17.384 -0.770 6.700 184 HG3 MET 79 HG2 MET 79 -18.223 -1.792 7.866 185 HE1 MET 79 HE1 MET 79 -17.734 1.144 8.252 186 HE2 MET 79 HE2 MET 79 -17.044 1.350 9.860 187 HE3 MET 79 HE3 MET 79 -18.390 0.240 9.624 188 H ASP 80 HN ASP 80 -19.373 -2.041 5.386 189 HA ASP 80 HA ASP 80 -18.149 -0.448 3.263 190 HB2 ASP 80 HB3 ASP 80 -18.952 -2.451 2.080 191 HB3 ASP 80 HB2 ASP 80 -20.562 -2.205 2.755 Start of MODEL 5 1 H1 ASP 59 HT1 ASP 59 -3.031 -6.868 3.542 2 H2 ASP 59 HT2 ASP 59 -2.067 -5.534 3.118 3 H3 ASP 59 HT3 ASP 59 -3.045 -5.475 4.508 4 HA ASP 59 HA ASP 59 -0.499 -5.951 4.697 5 HB2 ASP 59 HB3 ASP 59 -0.959 -7.160 6.774 6 HB3 ASP 59 HB2 ASP 59 -2.163 -5.874 6.551 7 H THR 60 HN THR 60 -2.512 -8.030 2.961 8 HA THR 60 HA THR 60 -0.927 -10.437 3.318 9 HB THR 60 HB THR 60 -3.396 -10.490 2.898 10 HG1 THR 60 HG1 THR 60 -3.120 -12.069 1.107 11 HG21 THR 60 HG21 THR 60 -2.697 -9.839 0.038 12 HG22 THR 60 HG22 THR 60 -3.220 -8.590 1.168 13 HG23 THR 60 HG23 THR 60 -4.293 -9.933 0.778 14 H LEU 61 HN LEU 61 -0.244 -11.569 1.207 15 HA LEU 61 HA LEU 61 1.832 -10.051 0.032 16 HB2 LEU 61 HB3 LEU 61 0.614 -12.733 -0.615 17 HB3 LEU 61 HB2 LEU 61 1.899 -12.046 -1.606 18 HG LEU 61 HG LEU 61 3.292 -11.809 0.475 19 HD11 LEU 61 HD11 LEU 61 2.506 -13.332 2.393 20 HD12 LEU 61 HD12 LEU 61 0.909 -13.248 1.653 21 HD13 LEU 61 HD13 LEU 61 1.692 -11.778 2.232 22 HD21 LEU 61 HD21 LEU 61 3.819 -14.221 0.632 23 HD22 LEU 61 HD22 LEU 61 3.565 -13.731 -1.043 24 HD23 LEU 61 HD23 LEU 61 2.298 -14.602 -0.177 25 H LEU 62 HN LEU 62 -1.405 -10.931 -1.103 26 HA LEU 62 HA LEU 62 -1.102 -9.926 -3.742 27 HB2 LEU 62 HB3 LEU 62 -3.615 -10.199 -2.080 28 HB3 LEU 62 HB2 LEU 62 -3.553 -9.961 -3.825 29 HG LEU 62 HG LEU 62 -2.368 -12.324 -2.340 30 HD11 LEU 62 HD11 LEU 62 -4.870 -12.020 -4.019 31 HD12 LEU 62 HD12 LEU 62 -4.786 -12.433 -2.306 32 HD13 LEU 62 HD13 LEU 62 -4.203 -13.574 -3.517 33 HD21 LEU 62 HD21 LEU 62 -1.062 -12.172 -4.270 34 HD22 LEU 62 HD22 LEU 62 -2.358 -11.444 -5.221 35 HD23 LEU 62 HD23 LEU 62 -2.390 -13.169 -4.855 36 H GLY 63 HN GLY 63 -1.475 -8.408 -0.712 37 HA2 GLY 63 HA3 GLY 63 -2.808 -6.034 -1.416 38 HA3 GLY 63 HA2 GLY 63 -1.620 -6.188 -0.101 39 H ARG 64 HN ARG 64 0.249 -7.292 -2.269 40 HA ARG 64 HA ARG 64 1.129 -4.683 -3.348 41 HB2 ARG 64 HB3 ARG 64 2.590 -5.930 -1.602 42 HB3 ARG 64 HB2 ARG 64 2.936 -7.058 -2.910 43 HG2 ARG 64 HG3 ARG 64 3.825 -5.255 -4.292 44 HG3 ARG 64 HG2 ARG 64 3.363 -4.059 -3.081 45 HD2 ARG 64 HD3 ARG 64 5.332 -6.316 -2.628 46 HD3 ARG 64 HD2 ARG 64 5.772 -4.640 -2.946 47 HE ARG 64 HE ARG 64 4.035 -4.618 -0.761 48 HH11 ARG 64 HH21 ARG 64 7.128 -5.899 -1.642 49 HH12 ARG 64 HH22 ARG 64 7.762 -5.846 -0.031 50 HH21 ARG 64 HH11 ARG 64 4.861 -4.546 1.354 51 HH22 ARG 64 HH12 ARG 64 6.480 -5.081 1.664 52 H MET 65 HN MET 65 -0.812 -6.393 -4.573 53 HA MET 65 HA MET 65 0.481 -6.747 -7.148 54 HB2 MET 65 HB3 MET 65 0.702 -8.942 -5.801 55 HB3 MET 65 HB2 MET 65 -1.041 -9.096 -6.022 56 HG2 MET 65 HG3 MET 65 0.019 -10.303 -7.824 57 HG3 MET 65 HG2 MET 65 -0.656 -8.811 -8.511 58 HE1 MET 65 HE1 MET 65 1.498 -10.428 -10.102 59 HE2 MET 65 HE2 MET 65 2.441 -9.062 -10.689 60 HE3 MET 65 HE3 MET 65 0.688 -8.925 -10.561 61 H LEU 66 HN LEU 66 -2.460 -7.340 -5.250 62 HA LEU 66 HA LEU 66 -4.069 -6.029 -7.372 63 HB2 LEU 66 HB3 LEU 66 -4.831 -8.486 -5.772 64 HB3 LEU 66 HB2 LEU 66 -5.854 -7.661 -6.942 65 HG LEU 66 HG LEU 66 -3.160 -8.885 -7.607 66 HD11 LEU 66 HD11 LEU 66 -4.618 -10.599 -8.802 67 HD12 LEU 66 HD12 LEU 66 -5.978 -9.952 -7.886 68 HD13 LEU 66 HD13 LEU 66 -4.622 -10.696 -7.041 69 HD21 LEU 66 HD21 LEU 66 -3.584 -7.267 -9.264 70 HD22 LEU 66 HD22 LEU 66 -5.328 -7.513 -9.203 71 HD23 LEU 66 HD23 LEU 66 -4.293 -8.714 -9.974 72 HA PRO 67 HA PRO 67 -4.721 -4.374 -3.034 73 HB2 PRO 67 HB3 PRO 67 -3.841 -1.818 -3.436 74 HB3 PRO 67 HB2 PRO 67 -2.742 -3.159 -2.997 75 HG2 PRO 67 HG3 PRO 67 -3.313 -1.985 -5.700 76 HG3 PRO 67 HG2 PRO 67 -1.745 -2.426 -4.967 77 HD2 PRO 67 HD3 PRO 67 -3.031 -4.050 -6.749 78 HD3 PRO 67 HD2 PRO 67 -2.019 -4.693 -5.437 79 H GLN 68 HN GLN 68 -5.520 -3.349 -6.253 80 HA GLN 68 HA GLN 68 -7.856 -1.814 -5.265 81 HB2 GLN 68 HB3 GLN 68 -6.422 -1.792 -7.927 82 HB3 GLN 68 HB2 GLN 68 -7.963 -0.960 -7.617 83 HG2 GLN 68 HG3 GLN 68 -6.953 0.414 -5.912 84 HG3 GLN 68 HG2 GLN 68 -5.454 -0.511 -5.974 85 HE21 GLN 68 HE21 GLN 68 -5.846 2.413 -6.524 86 HE22 GLN 68 HE22 GLN 68 -5.280 2.651 -8.122 87 H LEU 69 HN LEU 69 -7.916 -4.611 -5.140 88 HA LEU 69 HA LEU 69 -10.324 -5.127 -6.574 89 HB2 LEU 69 HB3 LEU 69 -8.776 -5.446 -8.443 90 HB3 LEU 69 HB2 LEU 69 -7.833 -6.585 -7.488 91 HG LEU 69 HG LEU 69 -9.789 -8.096 -7.350 92 HD11 LEU 69 HD11 LEU 69 -11.098 -5.820 -8.833 93 HD12 LEU 69 HD12 LEU 69 -11.710 -6.753 -7.468 94 HD13 LEU 69 HD13 LEU 69 -11.673 -7.470 -9.074 95 HD21 LEU 69 HD21 LEU 69 -8.950 -7.172 -10.110 96 HD22 LEU 69 HD22 LEU 69 -9.890 -8.637 -9.825 97 HD23 LEU 69 HD23 LEU 69 -8.261 -8.493 -9.164 98 H VAL 70 HN VAL 70 -7.560 -7.165 -5.474 99 HA VAL 70 HA VAL 70 -9.276 -8.999 -4.132 100 HB VAL 70 HB VAL 70 -6.316 -8.426 -3.851 101 HG11 VAL 70 HG11 VAL 70 -8.088 -10.507 -2.545 102 HG12 VAL 70 HG12 VAL 70 -6.965 -9.394 -1.761 103 HG13 VAL 70 HG13 VAL 70 -6.348 -10.737 -2.727 104 HG21 VAL 70 HG21 VAL 70 -6.060 -10.398 -5.213 105 HG22 VAL 70 HG22 VAL 70 -7.262 -9.383 -6.010 106 HG23 VAL 70 HG23 VAL 70 -7.774 -10.787 -5.072 107 H CYS 71 HN CYS 71 -7.194 -6.376 -2.955 108 HA CYS 71 HA CYS 71 -8.071 -6.538 -0.252 109 HB2 CYS 71 HB3 CYS 71 -6.673 -4.359 -1.808 110 HB3 CYS 71 HB2 CYS 71 -7.023 -4.258 -0.072 111 HG CYS 71 HG CYS 71 -5.520 -6.812 -0.827 112 H ARG 72 HN ARG 72 -8.987 -4.665 -3.091 113 HA ARG 72 HA ARG 72 -10.688 -2.842 -1.857 114 HB2 ARG 72 HB3 ARG 72 -9.932 -2.671 -4.205 115 HB3 ARG 72 HB2 ARG 72 -10.962 -4.038 -4.614 116 HG2 ARG 72 HG3 ARG 72 -12.131 -1.984 -5.185 117 HG3 ARG 72 HG2 ARG 72 -12.947 -2.732 -3.818 118 HD2 ARG 72 HD3 ARG 72 -10.791 -0.704 -3.281 119 HD3 ARG 72 HD2 ARG 72 -12.380 -0.145 -3.788 120 HE ARG 72 HE ARG 72 -12.754 -1.987 -1.705 121 HH11 ARG 72 HH21 ARG 72 -11.333 1.112 -2.306 122 HH12 ARG 72 HH22 ARG 72 -11.591 1.696 -0.696 123 HH21 ARG 72 HH11 ARG 72 -13.093 -1.226 0.412 124 HH22 ARG 72 HH12 ARG 72 -12.587 0.374 0.841 125 H LEU 73 HN LEU 73 -11.420 -6.007 -3.299 126 HA LEU 73 HA LEU 73 -14.182 -5.975 -2.661 127 HB2 LEU 73 HB3 LEU 73 -13.269 -7.440 -4.391 128 HB3 LEU 73 HB2 LEU 73 -12.332 -8.314 -3.164 129 HG LEU 73 HG LEU 73 -14.423 -9.017 -2.056 130 HD11 LEU 73 HD11 LEU 73 -16.559 -8.615 -3.550 131 HD12 LEU 73 HD12 LEU 73 -15.647 -7.236 -4.162 132 HD13 LEU 73 HD13 LEU 73 -16.030 -7.351 -2.443 133 HD21 LEU 73 HD21 LEU 73 -15.297 -10.426 -3.974 134 HD22 LEU 73 HD22 LEU 73 -13.554 -10.506 -3.726 135 HD23 LEU 73 HD23 LEU 73 -14.214 -9.519 -5.029 136 H VAL 74 HN VAL 74 -11.348 -7.357 -1.078 137 HA VAL 74 HA VAL 74 -12.688 -8.617 1.053 138 HB VAL 74 HB VAL 74 -9.866 -7.607 0.708 139 HG11 VAL 74 HG11 VAL 74 -9.431 -9.174 2.712 140 HG12 VAL 74 HG12 VAL 74 -11.164 -9.084 3.020 141 HG13 VAL 74 HG13 VAL 74 -10.184 -7.621 3.087 142 HG21 VAL 74 HG21 VAL 74 -10.852 -9.573 -0.643 143 HG22 VAL 74 HG22 VAL 74 -10.903 -10.448 0.885 144 HG23 VAL 74 HG23 VAL 74 -9.359 -9.891 0.240 145 H LEU 75 HN LEU 75 -11.142 -5.389 0.889 146 HA LEU 75 HA LEU 75 -11.697 -4.696 3.571 147 HB2 LEU 75 HB3 LEU 75 -11.262 -3.002 1.103 148 HB3 LEU 75 HB2 LEU 75 -11.469 -2.311 2.724 149 HG LEU 75 HG LEU 75 -9.359 -4.389 2.038 150 HD11 LEU 75 HD11 LEU 75 -7.786 -2.408 2.138 151 HD12 LEU 75 HD12 LEU 75 -9.206 -1.365 2.095 152 HD13 LEU 75 HD13 LEU 75 -8.853 -2.429 0.735 153 HD21 LEU 75 HD21 LEU 75 -10.050 -2.760 4.479 154 HD22 LEU 75 HD22 LEU 75 -8.362 -3.168 4.182 155 HD23 LEU 75 HD23 LEU 75 -9.553 -4.449 4.366 156 H ARG 76 HN ARG 76 -13.498 -4.209 0.567 157 HA ARG 76 HA ARG 76 -15.637 -2.761 1.721 158 HB2 ARG 76 HB3 ARG 76 -15.433 -4.434 -0.780 159 HB3 ARG 76 HB2 ARG 76 -16.900 -3.558 -0.334 160 HG2 ARG 76 HG3 ARG 76 -15.720 -1.444 -0.368 161 HG3 ARG 76 HG2 ARG 76 -14.176 -2.256 -0.606 162 HD2 ARG 76 HD3 ARG 76 -14.985 -1.385 -2.743 163 HD3 ARG 76 HD2 ARG 76 -15.004 -3.148 -2.773 164 HE ARG 76 HE ARG 76 -17.522 -2.129 -1.904 165 HH11 ARG 76 HH21 ARG 76 -15.487 -2.546 -4.673 166 HH12 ARG 76 HH22 ARG 76 -16.800 -2.628 -5.798 167 HH21 ARG 76 HH11 ARG 76 -19.249 -2.233 -3.375 168 HH22 ARG 76 HH12 ARG 76 -18.932 -2.450 -5.063 169 H CYS 77 HN CYS 77 -15.050 -6.199 1.216 170 HA CYS 77 HA CYS 77 -17.581 -7.169 1.954 171 HB2 CYS 77 HB3 CYS 77 -15.870 -8.552 0.851 172 HB3 CYS 77 HB2 CYS 77 -14.863 -8.465 2.314 173 HG CYS 77 HG CYS 77 -17.540 -9.504 3.125 174 H SER 78 HN SER 78 -14.647 -6.640 3.904 175 HA SER 78 HA SER 78 -15.717 -7.534 6.355 176 HB2 SER 78 HB3 SER 78 -13.845 -6.337 7.391 177 HB3 SER 78 HB2 SER 78 -13.300 -7.214 5.947 178 HG SER 78 HG SER 78 -13.538 -4.486 6.429 179 H MET 79 HN MET 79 -15.832 -4.423 4.718 180 HA MET 79 HA MET 79 -17.955 -3.546 6.517 181 HB2 MET 79 HB3 MET 79 -15.794 -2.813 7.586 182 HB3 MET 79 HB2 MET 79 -15.481 -1.835 6.136 183 HG2 MET 79 HG3 MET 79 -16.511 -0.405 7.795 184 HG3 MET 79 HG2 MET 79 -17.697 -0.697 6.526 185 HE1 MET 79 HE1 MET 79 -19.582 -0.332 9.890 186 HE2 MET 79 HE2 MET 79 -20.020 -0.232 8.186 187 HE3 MET 79 HE3 MET 79 -18.541 0.540 8.754 188 H ASP 80 HN ASP 80 -19.388 -2.214 5.520 189 HA ASP 80 HA ASP 80 -19.007 -1.753 2.658 190 HB2 ASP 80 HB3 ASP 80 -21.370 -1.184 2.645 191 HB3 ASP 80 HB2 ASP 80 -21.137 -2.694 3.522 Start of MODEL 6 1 H1 ASP 59 HT1 ASP 59 0.106 -3.352 3.307 2 H2 ASP 59 HT2 ASP 59 -1.371 -4.076 2.878 3 H3 ASP 59 HT3 ASP 59 0.096 -4.839 2.489 4 HA ASP 59 HA ASP 59 0.306 -4.537 5.166 5 HB2 ASP 59 HB3 ASP 59 -2.567 -5.067 4.369 6 HB3 ASP 59 HB2 ASP 59 -1.909 -5.541 5.948 7 H THR 60 HN THR 60 -0.230 -6.205 2.295 8 HA THR 60 HA THR 60 0.929 -8.651 3.398 9 HB THR 60 HB THR 60 -0.771 -10.103 2.417 10 HG1 THR 60 HG1 THR 60 -1.874 -7.623 1.643 11 HG21 THR 60 HG21 THR 60 -2.167 -8.003 4.087 12 HG22 THR 60 HG22 THR 60 -1.037 -9.176 4.765 13 HG23 THR 60 HG23 THR 60 -2.528 -9.727 4.001 14 H LEU 61 HN LEU 61 1.602 -10.149 1.666 15 HA LEU 61 HA LEU 61 2.970 -8.777 -0.399 16 HB2 LEU 61 HB3 LEU 61 2.419 -11.695 0.133 17 HB3 LEU 61 HB2 LEU 61 3.283 -11.174 -1.313 18 HG LEU 61 HG LEU 61 4.903 -9.953 0.169 19 HD11 LEU 61 HD11 LEU 61 4.895 -10.805 2.596 20 HD12 LEU 61 HD12 LEU 61 3.231 -11.300 2.296 21 HD13 LEU 61 HD13 LEU 61 3.680 -9.598 2.179 22 HD21 LEU 61 HD21 LEU 61 5.484 -12.153 -0.686 23 HD22 LEU 61 HD22 LEU 61 4.552 -12.937 0.591 24 HD23 LEU 61 HD23 LEU 61 6.022 -12.044 0.990 25 H LEU 62 HN LEU 62 -0.036 -10.637 -0.329 26 HA LEU 62 HA LEU 62 -0.518 -10.599 -3.116 27 HB2 LEU 62 HB3 LEU 62 -1.691 -12.122 -1.587 28 HB3 LEU 62 HB2 LEU 62 -2.483 -10.747 -0.821 29 HG LEU 62 HG LEU 62 -3.574 -10.174 -2.965 30 HD11 LEU 62 HD11 LEU 62 -2.178 -10.911 -4.696 31 HD12 LEU 62 HD12 LEU 62 -3.437 -12.140 -4.720 32 HD13 LEU 62 HD13 LEU 62 -1.893 -12.479 -3.940 33 HD21 LEU 62 HD21 LEU 62 -4.857 -11.577 -1.526 34 HD22 LEU 62 HD22 LEU 62 -3.883 -12.993 -1.918 35 HD23 LEU 62 HD23 LEU 62 -4.972 -12.314 -3.124 36 H GLY 63 HN GLY 63 -1.468 -8.423 -0.478 37 HA2 GLY 63 HA3 GLY 63 -3.134 -6.706 -1.952 38 HA3 GLY 63 HA2 GLY 63 -2.237 -6.257 -0.487 39 H ARG 64 HN ARG 64 0.286 -7.150 -1.940 40 HA ARG 64 HA ARG 64 0.837 -4.567 -3.180 41 HB2 ARG 64 HB3 ARG 64 2.616 -6.901 -2.451 42 HB3 ARG 64 HB2 ARG 64 3.194 -5.449 -3.265 43 HG2 ARG 64 HG3 ARG 64 2.445 -4.062 -1.398 44 HG3 ARG 64 HG2 ARG 64 1.763 -5.474 -0.592 45 HD2 ARG 64 HD3 ARG 64 3.957 -4.953 0.363 46 HD3 ARG 64 HD2 ARG 64 4.021 -6.490 -0.494 47 HE ARG 64 HE ARG 64 5.454 -5.512 -2.056 48 HH11 ARG 64 HH21 ARG 64 3.972 -3.138 -0.020 49 HH12 ARG 64 HH22 ARG 64 4.974 -1.839 -0.572 50 HH21 ARG 64 HH11 ARG 64 6.770 -3.812 -2.786 51 HH22 ARG 64 HH12 ARG 64 6.558 -2.219 -2.139 52 H MET 65 HN MET 65 -0.952 -6.435 -4.472 53 HA MET 65 HA MET 65 0.328 -6.496 -7.091 54 HB2 MET 65 HB3 MET 65 0.868 -8.705 -6.021 55 HB3 MET 65 HB2 MET 65 -0.864 -9.024 -5.934 56 HG2 MET 65 HG3 MET 65 -1.057 -8.823 -8.368 57 HG3 MET 65 HG2 MET 65 0.669 -8.416 -8.486 58 HE1 MET 65 HE1 MET 65 1.002 -10.304 -10.239 59 HE2 MET 65 HE2 MET 65 -0.720 -10.658 -10.131 60 HE3 MET 65 HE3 MET 65 0.451 -11.971 -10.032 61 H LEU 66 HN LEU 66 -2.525 -7.273 -5.129 62 HA LEU 66 HA LEU 66 -4.261 -6.171 -7.271 63 HB2 LEU 66 HB3 LEU 66 -4.831 -8.574 -5.515 64 HB3 LEU 66 HB2 LEU 66 -5.929 -7.883 -6.704 65 HG LEU 66 HG LEU 66 -3.180 -8.980 -7.363 66 HD11 LEU 66 HD11 LEU 66 -4.433 -10.899 -8.332 67 HD12 LEU 66 HD12 LEU 66 -5.926 -10.232 -7.671 68 HD13 LEU 66 HD13 LEU 66 -4.647 -10.778 -6.585 69 HD21 LEU 66 HD21 LEU 66 -4.368 -9.016 -9.708 70 HD22 LEU 66 HD22 LEU 66 -3.739 -7.488 -9.100 71 HD23 LEU 66 HD23 LEU 66 -5.463 -7.838 -8.982 72 HA PRO 67 HA PRO 67 -4.908 -4.331 -3.009 73 HB2 PRO 67 HB3 PRO 67 -4.166 -1.751 -3.564 74 HB3 PRO 67 HB2 PRO 67 -3.002 -3.004 -3.044 75 HG2 PRO 67 HG3 PRO 67 -3.620 -2.021 -5.812 76 HG3 PRO 67 HG2 PRO 67 -2.036 -2.357 -5.056 77 HD2 PRO 67 HD3 PRO 67 -3.255 -4.130 -6.745 78 HD3 PRO 67 HD2 PRO 67 -2.218 -4.655 -5.398 79 H GLN 68 HN GLN 68 -5.676 -3.255 -6.262 80 HA GLN 68 HA GLN 68 -8.157 -1.965 -5.283 81 HB2 GLN 68 HB3 GLN 68 -6.520 -0.686 -6.754 82 HB3 GLN 68 HB2 GLN 68 -7.005 -1.779 -8.066 83 HG2 GLN 68 HG3 GLN 68 -9.326 -1.063 -7.853 84 HG3 GLN 68 HG2 GLN 68 -8.934 -0.089 -6.439 85 HE21 GLN 68 HE21 GLN 68 -10.073 1.431 -8.298 86 HE22 GLN 68 HE22 GLN 68 -8.933 2.321 -9.215 87 H LEU 69 HN LEU 69 -8.198 -4.647 -5.126 88 HA LEU 69 HA LEU 69 -10.405 -5.322 -6.778 89 HB2 LEU 69 HB3 LEU 69 -8.682 -5.632 -8.479 90 HB3 LEU 69 HB2 LEU 69 -7.777 -6.684 -7.401 91 HG LEU 69 HG LEU 69 -9.657 -8.295 -7.387 92 HD11 LEU 69 HD11 LEU 69 -11.406 -7.830 -9.290 93 HD12 LEU 69 HD12 LEU 69 -10.935 -6.144 -9.073 94 HD13 LEU 69 HD13 LEU 69 -11.620 -7.052 -7.725 95 HD21 LEU 69 HD21 LEU 69 -9.330 -9.125 -9.630 96 HD22 LEU 69 HD22 LEU 69 -7.823 -8.361 -9.125 97 HD23 LEU 69 HD23 LEU 69 -8.916 -7.515 -10.220 98 H VAL 70 HN VAL 70 -7.730 -7.341 -5.459 99 HA VAL 70 HA VAL 70 -9.569 -9.085 -4.154 100 HB VAL 70 HB VAL 70 -6.599 -8.652 -3.772 101 HG11 VAL 70 HG11 VAL 70 -6.809 -10.963 -2.647 102 HG12 VAL 70 HG12 VAL 70 -8.530 -10.614 -2.512 103 HG13 VAL 70 HG13 VAL 70 -7.356 -9.575 -1.707 104 HG21 VAL 70 HG21 VAL 70 -7.394 -9.567 -5.965 105 HG22 VAL 70 HG22 VAL 70 -8.181 -10.883 -5.092 106 HG23 VAL 70 HG23 VAL 70 -6.425 -10.727 -5.055 107 H CYS 71 HN CYS 71 -7.402 -6.557 -2.940 108 HA CYS 71 HA CYS 71 -8.328 -6.655 -0.264 109 HB2 CYS 71 HB3 CYS 71 -6.853 -4.534 -1.820 110 HB3 CYS 71 HB2 CYS 71 -7.223 -4.401 -0.091 111 HG CYS 71 HG CYS 71 -5.765 -6.995 -0.844 112 H ARG 72 HN ARG 72 -9.173 -4.812 -3.134 113 HA ARG 72 HA ARG 72 -10.831 -2.912 -1.966 114 HB2 ARG 72 HB3 ARG 72 -10.083 -2.831 -4.311 115 HB3 ARG 72 HB2 ARG 72 -11.116 -4.205 -4.681 116 HG2 ARG 72 HG3 ARG 72 -12.268 -2.170 -5.337 117 HG3 ARG 72 HG2 ARG 72 -13.100 -2.852 -3.947 118 HD2 ARG 72 HD3 ARG 72 -10.932 -0.817 -3.493 119 HD3 ARG 72 HD2 ARG 72 -12.525 -0.276 -4.009 120 HE ARG 72 HE ARG 72 -12.865 -2.043 -1.847 121 HH11 ARG 72 HH21 ARG 72 -11.520 1.054 -2.604 122 HH12 ARG 72 HH22 ARG 72 -11.780 1.709 -1.022 123 HH21 ARG 72 HH11 ARG 72 -13.208 -1.190 0.234 124 HH22 ARG 72 HH12 ARG 72 -12.736 0.438 0.584 125 H LEU 73 HN LEU 73 -11.669 -6.097 -3.328 126 HA LEU 73 HA LEU 73 -14.429 -5.951 -2.662 127 HB2 LEU 73 HB3 LEU 73 -12.604 -8.297 -3.236 128 HB3 LEU 73 HB2 LEU 73 -14.355 -8.453 -2.999 129 HG LEU 73 HG LEU 73 -13.074 -6.648 -5.082 130 HD11 LEU 73 HD11 LEU 73 -12.549 -8.980 -5.585 131 HD12 LEU 73 HD12 LEU 73 -13.785 -8.404 -6.704 132 HD13 LEU 73 HD13 LEU 73 -14.235 -9.438 -5.350 133 HD21 LEU 73 HD21 LEU 73 -15.904 -7.368 -4.332 134 HD22 LEU 73 HD22 LEU 73 -15.535 -7.046 -6.026 135 HD23 LEU 73 HD23 LEU 73 -15.236 -5.809 -4.813 136 H VAL 74 HN VAL 74 -11.612 -7.332 -1.056 137 HA VAL 74 HA VAL 74 -12.982 -8.549 1.090 138 HB VAL 74 HB VAL 74 -10.145 -7.585 0.743 139 HG11 VAL 74 HG11 VAL 74 -11.476 -9.003 3.071 140 HG12 VAL 74 HG12 VAL 74 -10.479 -7.550 3.119 141 HG13 VAL 74 HG13 VAL 74 -9.740 -9.116 2.778 142 HG21 VAL 74 HG21 VAL 74 -11.225 -10.405 0.963 143 HG22 VAL 74 HG22 VAL 74 -9.665 -9.885 0.327 144 HG23 VAL 74 HG23 VAL 74 -11.141 -9.558 -0.581 145 H LEU 75 HN LEU 75 -11.374 -5.356 0.870 146 HA LEU 75 HA LEU 75 -11.938 -4.590 3.530 147 HB2 LEU 75 HB3 LEU 75 -11.457 -2.960 1.028 148 HB3 LEU 75 HB2 LEU 75 -11.651 -2.232 2.635 149 HG LEU 75 HG LEU 75 -9.587 -4.367 1.987 150 HD11 LEU 75 HD11 LEU 75 -9.348 -1.346 2.037 151 HD12 LEU 75 HD12 LEU 75 -9.065 -2.412 0.660 152 HD13 LEU 75 HD13 LEU 75 -7.966 -2.441 2.039 153 HD21 LEU 75 HD21 LEU 75 -8.569 -3.140 4.119 154 HD22 LEU 75 HD22 LEU 75 -9.787 -4.391 4.315 155 HD23 LEU 75 HD23 LEU 75 -10.250 -2.694 4.406 156 H ARG 76 HN ARG 76 -13.703 -4.123 0.501 157 HA ARG 76 HA ARG 76 -15.818 -2.607 1.609 158 HB2 ARG 76 HB3 ARG 76 -15.626 -4.324 -0.861 159 HB3 ARG 76 HB2 ARG 76 -17.079 -3.414 -0.446 160 HG2 ARG 76 HG3 ARG 76 -15.810 -1.323 -0.449 161 HG3 ARG 76 HG2 ARG 76 -14.318 -2.202 -0.773 162 HD2 ARG 76 HD3 ARG 76 -15.235 -2.987 -2.918 163 HD3 ARG 76 HD2 ARG 76 -16.745 -2.143 -2.588 164 HE ARG 76 HE ARG 76 -14.644 -0.279 -2.426 165 HH11 ARG 76 HH21 ARG 76 -16.248 -2.324 -4.711 166 HH12 ARG 76 HH22 ARG 76 -15.941 -1.285 -6.063 167 HH21 ARG 76 HH11 ARG 76 -14.239 1.088 -4.195 168 HH22 ARG 76 HH12 ARG 76 -14.804 0.646 -5.770 169 H CYS 77 HN CYS 77 -15.316 -6.068 1.174 170 HA CYS 77 HA CYS 77 -17.880 -6.952 1.910 171 HB2 CYS 77 HB3 CYS 77 -16.205 -8.403 0.841 172 HB3 CYS 77 HB2 CYS 77 -15.205 -8.321 2.307 173 HG CYS 77 HG CYS 77 -17.922 -9.266 3.112 174 H SER 78 HN SER 78 -14.944 -6.476 3.868 175 HA SER 78 HA SER 78 -16.031 -7.310 6.326 176 HB2 SER 78 HB3 SER 78 -13.621 -7.030 5.985 177 HB3 SER 78 HB2 SER 78 -13.845 -5.281 5.786 178 HG SER 78 HG SER 78 -13.453 -6.583 8.016 179 H MET 79 HN MET 79 -15.848 -4.090 4.833 180 HA MET 79 HA MET 79 -18.169 -3.232 6.367 181 HB2 MET 79 HB3 MET 79 -17.062 -1.255 7.309 182 HB3 MET 79 HB2 MET 79 -16.297 -2.745 7.902 183 HG2 MET 79 HG3 MET 79 -14.553 -2.504 6.135 184 HG3 MET 79 HG2 MET 79 -15.283 -0.975 5.650 185 HE1 MET 79 HE1 MET 79 -12.054 -1.210 6.790 186 HE2 MET 79 HE2 MET 79 -12.255 0.488 7.209 187 HE3 MET 79 HE3 MET 79 -13.049 -0.158 5.773 188 H ASP 80 HN ASP 80 -18.962 -1.115 5.656 189 HA ASP 80 HA ASP 80 -18.549 -0.775 2.780 190 HB2 ASP 80 HB3 ASP 80 -20.551 0.340 4.747 191 HB3 ASP 80 HB2 ASP 80 -20.466 0.872 3.070 Start of MODEL 7 1 H1 ASP 59 HT1 ASP 59 -1.939 -5.690 5.047 2 H2 ASP 59 HT2 ASP 59 -2.153 -4.013 4.893 3 H3 ASP 59 HT3 ASP 59 -0.844 -4.626 5.787 4 HA ASP 59 HA ASP 59 -1.220 -4.497 2.877 5 HB2 ASP 59 HB3 ASP 59 1.165 -4.090 4.710 6 HB3 ASP 59 HB2 ASP 59 1.114 -3.749 2.969 7 H THR 60 HN THR 60 -1.743 -6.748 2.588 8 HA THR 60 HA THR 60 0.161 -8.769 3.421 9 HB THR 60 HB THR 60 -1.338 -10.331 2.294 10 HG1 THR 60 HG1 THR 60 -3.309 -8.718 1.596 11 HG21 THR 60 HG21 THR 60 -3.021 -8.263 3.721 12 HG22 THR 60 HG22 THR 60 -1.903 -9.333 4.568 13 HG23 THR 60 HG23 THR 60 -3.265 -10.009 3.674 14 H LEU 61 HN LEU 61 1.057 -10.292 1.803 15 HA LEU 61 HA LEU 61 2.647 -8.921 -0.095 16 HB2 LEU 61 HB3 LEU 61 2.031 -11.864 0.260 17 HB3 LEU 61 HB2 LEU 61 3.212 -11.252 -0.893 18 HG LEU 61 HG LEU 61 3.292 -10.664 2.083 19 HD11 LEU 61 HD11 LEU 61 3.599 -13.055 1.729 20 HD12 LEU 61 HD12 LEU 61 5.155 -12.328 2.120 21 HD13 LEU 61 HD13 LEU 61 4.775 -12.747 0.450 22 HD21 LEU 61 HD21 LEU 61 5.060 -10.004 -0.268 23 HD22 LEU 61 HD22 LEU 61 5.809 -10.270 1.305 24 HD23 LEU 61 HD23 LEU 61 4.608 -9.000 1.106 25 H LEU 62 HN LEU 62 -0.317 -10.831 -0.369 26 HA LEU 62 HA LEU 62 -0.451 -10.831 -3.196 27 HB2 LEU 62 HB3 LEU 62 -1.789 -12.357 -1.815 28 HB3 LEU 62 HB2 LEU 62 -2.679 -10.987 -1.157 29 HG LEU 62 HG LEU 62 -3.515 -10.434 -3.417 30 HD11 LEU 62 HD11 LEU 62 -1.701 -12.716 -4.178 31 HD12 LEU 62 HD12 LEU 62 -1.912 -11.151 -4.960 32 HD13 LEU 62 HD13 LEU 62 -3.143 -12.393 -5.140 33 HD21 LEU 62 HD21 LEU 62 -4.653 -12.114 -1.859 34 HD22 LEU 62 HD22 LEU 62 -3.958 -13.377 -2.873 35 HD23 LEU 62 HD23 LEU 62 -5.096 -12.221 -3.564 36 H GLY 63 HN GLY 63 -1.762 -8.654 -0.721 37 HA2 GLY 63 HA3 GLY 63 -3.230 -6.968 -2.431 38 HA3 GLY 63 HA2 GLY 63 -2.557 -6.498 -0.854 39 H ARG 64 HN ARG 64 0.143 -7.406 -1.933 40 HA ARG 64 HA ARG 64 0.962 -4.826 -2.888 41 HB2 ARG 64 HB3 ARG 64 2.290 -6.483 -1.383 42 HB3 ARG 64 HB2 ARG 64 2.716 -7.275 -2.898 43 HG2 ARG 64 HG3 ARG 64 3.709 -5.223 -3.751 44 HG3 ARG 64 HG2 ARG 64 3.168 -4.329 -2.331 45 HD2 ARG 64 HD3 ARG 64 5.087 -6.672 -2.273 46 HD3 ARG 64 HD2 ARG 64 5.561 -4.979 -2.172 47 HE ARG 64 HE ARG 64 3.670 -5.417 -0.163 48 HH11 ARG 64 HH21 ARG 64 6.815 -6.517 -1.099 49 HH12 ARG 64 HH22 ARG 64 7.336 -6.840 0.521 50 HH21 ARG 64 HH11 ARG 64 4.348 -5.837 1.965 51 HH22 ARG 64 HH12 ARG 64 5.939 -6.454 2.255 52 H MET 65 HN MET 65 -0.895 -6.527 -4.502 53 HA MET 65 HA MET 65 0.429 -6.112 -7.063 54 HB2 MET 65 HB3 MET 65 1.088 -8.420 -6.484 55 HB3 MET 65 HB2 MET 65 -0.613 -8.851 -6.306 56 HG2 MET 65 HG3 MET 65 -1.050 -8.349 -8.643 57 HG3 MET 65 HG2 MET 65 0.596 -7.718 -8.849 58 HE1 MET 65 HE1 MET 65 -0.836 -12.028 -8.416 59 HE2 MET 65 HE2 MET 65 -1.723 -10.527 -8.167 60 HE3 MET 65 HE3 MET 65 -0.638 -11.119 -6.914 61 H LEU 66 HN LEU 66 -2.447 -7.118 -5.261 62 HA LEU 66 HA LEU 66 -4.137 -5.847 -7.344 63 HB2 LEU 66 HB3 LEU 66 -4.792 -8.343 -5.757 64 HB3 LEU 66 HB2 LEU 66 -5.846 -7.549 -6.921 65 HG LEU 66 HG LEU 66 -3.117 -8.688 -7.592 66 HD11 LEU 66 HD11 LEU 66 -4.395 -10.502 -8.699 67 HD12 LEU 66 HD12 LEU 66 -5.892 -9.819 -8.070 68 HD13 LEU 66 HD13 LEU 66 -4.686 -10.470 -6.960 69 HD21 LEU 66 HD21 LEU 66 -4.243 -8.524 -9.959 70 HD22 LEU 66 HD22 LEU 66 -3.584 -7.062 -9.234 71 HD23 LEU 66 HD23 LEU 66 -5.321 -7.365 -9.182 72 HA PRO 67 HA PRO 67 -4.823 -4.278 -2.975 73 HB2 PRO 67 HB3 PRO 67 -4.038 -1.683 -3.357 74 HB3 PRO 67 HB2 PRO 67 -2.897 -2.983 -2.905 75 HG2 PRO 67 HG3 PRO 67 -3.469 -1.819 -5.613 76 HG3 PRO 67 HG2 PRO 67 -1.898 -2.216 -4.859 77 HD2 PRO 67 HD3 PRO 67 -3.102 -3.871 -6.669 78 HD3 PRO 67 HD2 PRO 67 -2.098 -4.485 -5.337 79 H GLN 68 HN GLN 68 -5.622 -3.270 -6.191 80 HA GLN 68 HA GLN 68 -8.030 -1.822 -5.243 81 HB2 GLN 68 HB3 GLN 68 -6.754 -1.860 -7.993 82 HB3 GLN 68 HB2 GLN 68 -8.162 -0.897 -7.499 83 HG2 GLN 68 HG3 GLN 68 -5.378 -0.679 -6.309 84 HG3 GLN 68 HG2 GLN 68 -6.087 0.451 -7.458 85 HE21 GLN 68 HE21 GLN 68 -5.485 0.139 -4.222 86 HE22 GLN 68 HE22 GLN 68 -6.783 1.069 -3.600 87 H LEU 69 HN LEU 69 -8.010 -4.595 -5.017 88 HA LEU 69 HA LEU 69 -10.371 -5.243 -6.473 89 HB2 LEU 69 HB3 LEU 69 -8.277 -5.578 -8.086 90 HB3 LEU 69 HB2 LEU 69 -8.121 -7.095 -7.208 91 HG LEU 69 HG LEU 69 -10.664 -6.162 -8.581 92 HD11 LEU 69 HD11 LEU 69 -8.586 -8.199 -9.434 93 HD12 LEU 69 HD12 LEU 69 -8.898 -6.649 -10.215 94 HD13 LEU 69 HD13 LEU 69 -10.126 -7.915 -10.246 95 HD21 LEU 69 HD21 LEU 69 -11.199 -8.653 -8.261 96 HD22 LEU 69 HD22 LEU 69 -11.224 -7.657 -6.805 97 HD23 LEU 69 HD23 LEU 69 -9.837 -8.692 -7.139 98 H VAL 70 HN VAL 70 -7.602 -7.226 -5.276 99 HA VAL 70 HA VAL 70 -9.330 -9.007 -3.885 100 HB VAL 70 HB VAL 70 -6.374 -8.428 -3.582 101 HG11 VAL 70 HG11 VAL 70 -8.174 -10.460 -2.238 102 HG12 VAL 70 HG12 VAL 70 -7.051 -9.334 -1.476 103 HG13 VAL 70 HG13 VAL 70 -6.435 -10.709 -2.393 104 HG21 VAL 70 HG21 VAL 70 -7.852 -10.787 -4.792 105 HG22 VAL 70 HG22 VAL 70 -6.115 -10.492 -4.841 106 HG23 VAL 70 HG23 VAL 70 -7.213 -9.439 -5.732 107 H CYS 71 HN CYS 71 -7.249 -6.358 -2.777 108 HA CYS 71 HA CYS 71 -8.125 -6.431 -0.079 109 HB2 CYS 71 HB3 CYS 71 -6.750 -4.295 -1.711 110 HB3 CYS 71 HB2 CYS 71 -7.096 -4.134 0.021 111 HG CYS 71 HG CYS 71 -5.569 -6.699 -0.674 112 H ARG 72 HN ARG 72 -9.074 -4.672 -2.969 113 HA ARG 72 HA ARG 72 -10.799 -2.824 -1.798 114 HB2 ARG 72 HB3 ARG 72 -10.038 -2.728 -4.149 115 HB3 ARG 72 HB2 ARG 72 -11.045 -4.123 -4.514 116 HG2 ARG 72 HG3 ARG 72 -12.251 -2.122 -5.168 117 HG3 ARG 72 HG2 ARG 72 -13.053 -2.809 -3.761 118 HD2 ARG 72 HD3 ARG 72 -10.921 -0.729 -3.343 119 HD3 ARG 72 HD2 ARG 72 -12.523 -0.221 -3.859 120 HE ARG 72 HE ARG 72 -12.848 -1.964 -1.686 121 HH11 ARG 72 HH21 ARG 72 -11.479 1.121 -2.449 122 HH12 ARG 72 HH22 ARG 72 -11.732 1.779 -0.867 123 HH21 ARG 72 HH11 ARG 72 -13.182 -1.107 0.392 124 HH22 ARG 72 HH12 ARG 72 -12.697 0.518 0.740 125 H LEU 73 HN LEU 73 -11.515 -6.042 -3.147 126 HA LEU 73 HA LEU 73 -14.280 -5.993 -2.477 127 HB2 LEU 73 HB3 LEU 73 -12.374 -8.275 -3.051 128 HB3 LEU 73 HB2 LEU 73 -14.118 -8.492 -2.806 129 HG LEU 73 HG LEU 73 -12.912 -6.651 -4.902 130 HD11 LEU 73 HD11 LEU 73 -14.077 -9.431 -5.248 131 HD12 LEU 73 HD12 LEU 73 -12.355 -9.051 -5.291 132 HD13 LEU 73 HD13 LEU 73 -13.434 -8.399 -6.524 133 HD21 LEU 73 HD21 LEU 73 -15.711 -7.459 -4.128 134 HD22 LEU 73 HD22 LEU 73 -15.365 -7.138 -5.826 135 HD23 LEU 73 HD23 LEU 73 -15.098 -5.882 -4.625 136 H VAL 74 HN VAL 74 -11.406 -7.267 -0.876 137 HA VAL 74 HA VAL 74 -12.726 -8.519 1.283 138 HB VAL 74 HB VAL 74 -9.925 -7.453 0.920 139 HG11 VAL 74 HG11 VAL 74 -9.461 -8.941 2.972 140 HG12 VAL 74 HG12 VAL 74 -11.200 -8.896 3.267 141 HG13 VAL 74 HG13 VAL 74 -10.263 -7.403 3.298 142 HG21 VAL 74 HG21 VAL 74 -9.362 -9.731 0.513 143 HG22 VAL 74 HG22 VAL 74 -10.870 -9.488 -0.371 144 HG23 VAL 74 HG23 VAL 74 -10.885 -10.313 1.186 145 H LEU 75 HN LEU 75 -11.217 -5.283 1.036 146 HA LEU 75 HA LEU 75 -11.850 -4.496 3.678 147 HB2 LEU 75 HB3 LEU 75 -11.352 -2.890 1.161 148 HB3 LEU 75 HB2 LEU 75 -11.596 -2.147 2.752 149 HG LEU 75 HG LEU 75 -9.470 -4.241 2.177 150 HD11 LEU 75 HD11 LEU 75 -9.129 -2.161 0.846 151 HD12 LEU 75 HD12 LEU 75 -7.874 -2.396 2.062 152 HD13 LEU 75 HD13 LEU 75 -9.166 -1.228 2.344 153 HD21 LEU 75 HD21 LEU 75 -8.523 -2.963 4.309 154 HD22 LEU 75 HD22 LEU 75 -9.718 -4.236 4.501 155 HD23 LEU 75 HD23 LEU 75 -10.217 -2.546 4.557 156 H ARG 76 HN ARG 76 -13.556 -4.164 0.606 157 HA ARG 76 HA ARG 76 -15.729 -2.656 1.595 158 HB2 ARG 76 HB3 ARG 76 -15.452 -4.509 -0.774 159 HB3 ARG 76 HB2 ARG 76 -16.924 -3.600 -0.449 160 HG2 ARG 76 HG3 ARG 76 -14.266 -2.182 -0.584 161 HG3 ARG 76 HG2 ARG 76 -15.132 -2.579 -2.066 162 HD2 ARG 76 HD3 ARG 76 -16.243 -0.932 0.233 163 HD3 ARG 76 HD2 ARG 76 -15.679 -0.300 -1.304 164 HE ARG 76 HE ARG 76 -18.189 -1.675 -0.817 165 HH11 ARG 76 HH21 ARG 76 -15.790 -0.678 -3.102 166 HH12 ARG 76 HH22 ARG 76 -16.866 -0.723 -4.459 167 HH21 ARG 76 HH11 ARG 76 -19.604 -1.737 -2.591 168 HH22 ARG 76 HH12 ARG 76 -19.025 -1.324 -4.169 169 H CYS 77 HN CYS 77 -15.132 -6.113 1.328 170 HA CYS 77 HA CYS 77 -17.685 -7.035 2.049 171 HB2 CYS 77 HB3 CYS 77 -15.943 -8.484 1.086 172 HB3 CYS 77 HB2 CYS 77 -14.981 -8.306 2.568 173 HG CYS 77 HG CYS 77 -17.698 -9.298 3.335 174 H SER 78 HN SER 78 -14.806 -6.389 4.045 175 HA SER 78 HA SER 78 -15.947 -7.123 6.518 176 HB2 SER 78 HB3 SER 78 -13.721 -5.180 5.862 177 HB3 SER 78 HB2 SER 78 -14.134 -5.706 7.506 178 HG SER 78 HG SER 78 -13.897 -7.910 6.543 179 H MET 79 HN MET 79 -15.840 -4.036 4.785 180 HA MET 79 HA MET 79 -18.131 -3.084 6.320 181 HB2 MET 79 HB3 MET 79 -16.179 -2.389 7.682 182 HB3 MET 79 HB2 MET 79 -15.528 -1.530 6.269 183 HG2 MET 79 HG3 MET 79 -17.502 -0.085 6.202 184 HG3 MET 79 HG2 MET 79 -18.233 -0.979 7.536 185 HE1 MET 79 HE1 MET 79 -18.387 1.420 9.224 186 HE2 MET 79 HE2 MET 79 -18.239 1.767 7.503 187 HE3 MET 79 HE3 MET 79 -17.231 2.634 8.660 188 H ASP 80 HN ASP 80 -19.393 -1.711 5.162 189 HA ASP 80 HA ASP 80 -18.346 -0.374 2.784 190 HB2 ASP 80 HB3 ASP 80 -19.984 -1.355 1.281 191 HB3 ASP 80 HB2 ASP 80 -19.007 -2.636 1.996 Start of MODEL 8 1 H1 ASP 59 HT1 ASP 59 2.663 -9.356 5.761 2 H2 ASP 59 HT2 ASP 59 2.389 -8.009 6.760 3 H3 ASP 59 HT3 ASP 59 3.136 -7.809 5.248 4 HA ASP 59 HA ASP 59 0.318 -8.191 5.903 5 HB2 ASP 59 HB3 ASP 59 0.051 -6.602 4.061 6 HB3 ASP 59 HB2 ASP 59 1.282 -6.006 5.193 7 H THR 60 HN THR 60 -0.855 -8.364 3.524 8 HA THR 60 HA THR 60 -0.305 -11.095 2.708 9 HB THR 60 HB THR 60 -2.616 -10.530 2.996 10 HG1 THR 60 HG1 THR 60 -3.312 -10.747 0.718 11 HG21 THR 60 HG21 THR 60 -3.559 -8.743 1.330 12 HG22 THR 60 HG22 THR 60 -1.899 -8.153 1.298 13 HG23 THR 60 HG23 THR 60 -2.788 -8.204 2.820 14 H LEU 61 HN LEU 61 0.332 -11.771 0.714 15 HA LEU 61 HA LEU 61 2.092 -10.111 -0.751 16 HB2 LEU 61 HB3 LEU 61 0.898 -12.829 -1.284 17 HB3 LEU 61 HB2 LEU 61 1.960 -12.046 -2.451 18 HG LEU 61 HG LEU 61 3.680 -11.809 -0.626 19 HD11 LEU 61 HD11 LEU 61 2.412 -11.943 1.381 20 HD12 LEU 61 HD12 LEU 61 3.310 -13.457 1.317 21 HD13 LEU 61 HD13 LEU 61 1.606 -13.425 0.866 22 HD21 LEU 61 HD21 LEU 61 2.731 -14.626 -1.229 23 HD22 LEU 61 HD22 LEU 61 4.351 -14.182 -0.696 24 HD23 LEU 61 HD23 LEU 61 3.764 -13.649 -2.270 25 H LEU 62 HN LEU 62 -1.260 -11.098 -1.291 26 HA LEU 62 HA LEU 62 -1.520 -10.085 -3.914 27 HB2 LEU 62 HB3 LEU 62 -3.568 -10.452 -1.729 28 HB3 LEU 62 HB2 LEU 62 -3.966 -10.032 -3.392 29 HG LEU 62 HG LEU 62 -2.420 -12.507 -2.566 30 HD11 LEU 62 HD11 LEU 62 -5.263 -12.365 -3.582 31 HD12 LEU 62 HD12 LEU 62 -4.872 -12.381 -1.862 32 HD13 LEU 62 HD13 LEU 62 -4.433 -13.752 -2.879 33 HD21 LEU 62 HD21 LEU 62 -1.795 -12.199 -4.781 34 HD22 LEU 62 HD22 LEU 62 -3.272 -11.332 -5.198 35 HD23 LEU 62 HD23 LEU 62 -3.293 -13.087 -5.032 36 H GLY 63 HN GLY 63 -1.951 -8.585 -0.754 37 HA2 GLY 63 HA3 GLY 63 -3.122 -6.180 -1.591 38 HA3 GLY 63 HA2 GLY 63 -2.077 -6.349 -0.162 39 H ARG 64 HN ARG 64 -0.044 -7.519 -2.144 40 HA ARG 64 HA ARG 64 1.067 -4.932 -3.033 41 HB2 ARG 64 HB3 ARG 64 2.298 -6.481 -1.330 42 HB3 ARG 64 HB2 ARG 64 2.666 -7.471 -2.742 43 HG2 ARG 64 HG3 ARG 64 3.615 -5.411 -3.846 44 HG3 ARG 64 HG2 ARG 64 3.393 -4.557 -2.321 45 HD2 ARG 64 HD3 ARG 64 5.056 -7.062 -2.699 46 HD3 ARG 64 HD2 ARG 64 5.698 -5.430 -2.543 47 HE ARG 64 HE ARG 64 4.579 -7.075 -0.407 48 HH11 ARG 64 HH21 ARG 64 5.574 -3.949 -1.515 49 HH12 ARG 64 HH22 ARG 64 5.790 -3.303 0.077 50 HH21 ARG 64 HH11 ARG 64 4.859 -6.233 1.681 51 HH22 ARG 64 HH12 ARG 64 5.385 -4.594 1.886 52 H MET 65 HN MET 65 -0.936 -6.622 -4.447 53 HA MET 65 HA MET 65 0.438 -6.686 -7.016 54 HB2 MET 65 HB3 MET 65 0.815 -8.958 -6.031 55 HB3 MET 65 HB2 MET 65 -0.935 -9.179 -5.993 56 HG2 MET 65 HG3 MET 65 -1.041 -8.823 -8.434 57 HG3 MET 65 HG2 MET 65 0.720 -8.609 -8.475 58 HE1 MET 65 HE1 MET 65 2.370 -10.123 -7.863 59 HE2 MET 65 HE2 MET 65 2.289 -11.881 -7.903 60 HE3 MET 65 HE3 MET 65 1.844 -11.020 -6.432 61 H LEU 66 HN LEU 66 -2.545 -7.405 -5.227 62 HA LEU 66 HA LEU 66 -4.115 -6.117 -7.389 63 HB2 LEU 66 HB3 LEU 66 -4.908 -8.543 -5.759 64 HB3 LEU 66 HB2 LEU 66 -5.898 -7.747 -6.976 65 HG LEU 66 HG LEU 66 -3.192 -8.995 -7.527 66 HD11 LEU 66 HD11 LEU 66 -4.450 -10.818 -8.581 67 HD12 LEU 66 HD12 LEU 66 -5.972 -10.045 -8.137 68 HD13 LEU 66 HD13 LEU 66 -4.902 -10.673 -6.882 69 HD21 LEU 66 HD21 LEU 66 -3.541 -7.402 -9.228 70 HD22 LEU 66 HD22 LEU 66 -5.289 -7.632 -9.222 71 HD23 LEU 66 HD23 LEU 66 -4.241 -8.855 -9.936 72 HA PRO 67 HA PRO 67 -4.901 -4.380 -3.099 73 HB2 PRO 67 HB3 PRO 67 -4.039 -1.824 -3.543 74 HB3 PRO 67 HB2 PRO 67 -2.936 -3.138 -3.035 75 HG2 PRO 67 HG3 PRO 67 -3.439 -2.041 -5.784 76 HG3 PRO 67 HG2 PRO 67 -1.888 -2.442 -4.991 77 HD2 PRO 67 HD3 PRO 67 -3.093 -4.127 -6.771 78 HD3 PRO 67 HD2 PRO 67 -2.122 -4.725 -5.406 79 H GLN 68 HN GLN 68 -5.604 -3.482 -6.369 80 HA GLN 68 HA GLN 68 -7.969 -1.911 -5.530 81 HB2 GLN 68 HB3 GLN 68 -8.042 -1.092 -7.838 82 HB3 GLN 68 HB2 GLN 68 -6.473 -0.756 -7.083 83 HG2 GLN 68 HG3 GLN 68 -5.520 -2.750 -8.197 84 HG3 GLN 68 HG2 GLN 68 -7.075 -3.067 -8.961 85 HE21 GLN 68 HE21 GLN 68 -4.116 -1.746 -9.627 86 HE22 GLN 68 HE22 GLN 68 -4.580 -0.598 -10.809 87 H LEU 69 HN LEU 69 -8.011 -4.705 -5.224 88 HA LEU 69 HA LEU 69 -10.431 -5.303 -6.597 89 HB2 LEU 69 HB3 LEU 69 -8.914 -5.724 -8.470 90 HB3 LEU 69 HB2 LEU 69 -7.958 -6.811 -7.471 91 HG LEU 69 HG LEU 69 -9.910 -8.311 -7.223 92 HD11 LEU 69 HD11 LEU 69 -11.832 -6.974 -7.376 93 HD12 LEU 69 HD12 LEU 69 -11.823 -7.773 -8.946 94 HD13 LEU 69 HD13 LEU 69 -11.244 -6.115 -8.801 95 HD21 LEU 69 HD21 LEU 69 -9.344 -7.584 -10.114 96 HD22 LEU 69 HD22 LEU 69 -9.935 -9.139 -9.526 97 HD23 LEU 69 HD23 LEU 69 -8.309 -8.599 -9.108 98 H VAL 70 HN VAL 70 -7.648 -7.262 -5.405 99 HA VAL 70 HA VAL 70 -9.327 -9.055 -3.977 100 HB VAL 70 HB VAL 70 -6.387 -8.390 -3.692 101 HG11 VAL 70 HG11 VAL 70 -7.036 -9.270 -1.564 102 HG12 VAL 70 HG12 VAL 70 -6.372 -10.641 -2.454 103 HG13 VAL 70 HG13 VAL 70 -8.118 -10.450 -2.303 104 HG21 VAL 70 HG21 VAL 70 -6.104 -10.531 -4.867 105 HG22 VAL 70 HG22 VAL 70 -7.131 -9.455 -5.817 106 HG23 VAL 70 HG23 VAL 70 -7.852 -10.768 -4.886 107 H CYS 71 HN CYS 71 -7.319 -6.327 -2.905 108 HA CYS 71 HA CYS 71 -8.209 -6.389 -0.210 109 HB2 CYS 71 HB3 CYS 71 -6.865 -4.247 -1.858 110 HB3 CYS 71 HB2 CYS 71 -7.243 -4.061 -0.133 111 HG CYS 71 HG CYS 71 -5.672 -6.615 -0.704 112 H ARG 72 HN ARG 72 -9.181 -4.679 -3.125 113 HA ARG 72 HA ARG 72 -10.940 -2.852 -1.979 114 HB2 ARG 72 HB3 ARG 72 -10.186 -2.769 -4.331 115 HB3 ARG 72 HB2 ARG 72 -11.162 -4.193 -4.675 116 HG2 ARG 72 HG3 ARG 72 -12.404 -2.219 -5.357 117 HG3 ARG 72 HG2 ARG 72 -13.200 -2.921 -3.953 118 HD2 ARG 72 HD3 ARG 72 -11.123 -0.787 -3.524 119 HD3 ARG 72 HD2 ARG 72 -12.733 -0.319 -4.057 120 HE ARG 72 HE ARG 72 -13.021 -2.069 -1.879 121 HH11 ARG 72 HH21 ARG 72 -11.772 1.064 -2.651 122 HH12 ARG 72 HH22 ARG 72 -12.067 1.721 -1.077 123 HH21 ARG 72 HH11 ARG 72 -13.411 -1.214 0.189 124 HH22 ARG 72 HH12 ARG 72 -12.996 0.433 0.532 125 H LEU 73 HN LEU 73 -11.596 -6.106 -3.273 126 HA LEU 73 HA LEU 73 -14.361 -6.095 -2.609 127 HB2 LEU 73 HB3 LEU 73 -12.407 -8.352 -3.118 128 HB3 LEU 73 HB2 LEU 73 -14.148 -8.598 -2.874 129 HG LEU 73 HG LEU 73 -12.969 -6.788 -5.011 130 HD11 LEU 73 HD11 LEU 73 -12.372 -9.202 -5.312 131 HD12 LEU 73 HD12 LEU 73 -13.414 -8.579 -6.592 132 HD13 LEU 73 HD13 LEU 73 -14.093 -9.589 -5.315 133 HD21 LEU 73 HD21 LEU 73 -15.405 -7.348 -5.937 134 HD22 LEU 73 HD22 LEU 73 -15.173 -6.059 -4.762 135 HD23 LEU 73 HD23 LEU 73 -15.755 -7.637 -4.233 136 H VAL 74 HN VAL 74 -11.469 -7.266 -0.969 137 HA VAL 74 HA VAL 74 -12.764 -8.495 1.217 138 HB VAL 74 HB VAL 74 -9.984 -7.387 0.826 139 HG11 VAL 74 HG11 VAL 74 -11.230 -8.795 3.208 140 HG12 VAL 74 HG12 VAL 74 -10.311 -7.291 3.202 141 HG13 VAL 74 HG13 VAL 74 -9.492 -8.826 2.910 142 HG21 VAL 74 HG21 VAL 74 -9.381 -9.663 0.468 143 HG22 VAL 74 HG22 VAL 74 -10.892 -9.463 -0.419 144 HG23 VAL 74 HG23 VAL 74 -10.894 -10.256 1.155 145 H LEU 75 HN LEU 75 -11.343 -5.221 0.902 146 HA LEU 75 HA LEU 75 -11.948 -4.419 3.543 147 HB2 LEU 75 HB3 LEU 75 -11.561 -2.828 0.998 148 HB3 LEU 75 HB2 LEU 75 -11.795 -2.072 2.587 149 HG LEU 75 HG LEU 75 -9.611 -4.099 1.986 150 HD11 LEU 75 HD11 LEU 75 -9.316 -2.065 0.623 151 HD12 LEU 75 HD12 LEU 75 -8.086 -2.163 1.884 152 HD13 LEU 75 HD13 LEU 75 -9.458 -1.071 2.073 153 HD21 LEU 75 HD21 LEU 75 -8.669 -2.765 4.089 154 HD22 LEU 75 HD22 LEU 75 -9.805 -4.086 4.313 155 HD23 LEU 75 HD23 LEU 75 -10.374 -2.420 4.369 156 H ARG 76 HN ARG 76 -13.735 -4.142 0.506 157 HA ARG 76 HA ARG 76 -15.934 -2.717 1.571 158 HB2 ARG 76 HB3 ARG 76 -15.643 -4.496 -0.847 159 HB3 ARG 76 HB2 ARG 76 -17.147 -3.658 -0.457 160 HG2 ARG 76 HG3 ARG 76 -16.007 -1.500 -0.531 161 HG3 ARG 76 HG2 ARG 76 -14.462 -2.295 -0.815 162 HD2 ARG 76 HD3 ARG 76 -15.303 -3.204 -2.938 163 HD3 ARG 76 HD2 ARG 76 -16.869 -2.452 -2.650 164 HE ARG 76 HE ARG 76 -14.907 -0.444 -2.530 165 HH11 ARG 76 HH21 ARG 76 -16.317 -2.676 -4.767 166 HH12 ARG 76 HH22 ARG 76 -16.060 -1.667 -6.150 167 HH21 ARG 76 HH11 ARG 76 -14.568 0.886 -4.340 168 HH22 ARG 76 HH12 ARG 76 -15.069 0.350 -5.908 169 H CYS 77 HN CYS 77 -15.229 -6.154 1.243 170 HA CYS 77 HA CYS 77 -17.735 -7.167 2.010 171 HB2 CYS 77 HB3 CYS 77 -15.974 -8.548 0.989 172 HB3 CYS 77 HB2 CYS 77 -14.982 -8.357 2.450 173 HG CYS 77 HG CYS 77 -17.629 -9.438 3.297 174 H SER 78 HN SER 78 -14.834 -6.452 3.949 175 HA SER 78 HA SER 78 -15.896 -7.257 6.435 176 HB2 SER 78 HB3 SER 78 -14.068 -5.961 7.423 177 HB3 SER 78 HB2 SER 78 -13.487 -6.892 6.028 178 HG SER 78 HG SER 78 -13.768 -4.966 4.784 179 H MET 79 HN MET 79 -16.091 -4.236 4.645 180 HA MET 79 HA MET 79 -18.245 -3.330 6.394 181 HB2 MET 79 HB3 MET 79 -16.191 -2.462 7.480 182 HB3 MET 79 HB2 MET 79 -15.761 -1.642 5.964 183 HG2 MET 79 HG3 MET 79 -17.850 -0.337 6.073 184 HG3 MET 79 HG2 MET 79 -18.299 -1.159 7.566 185 HE1 MET 79 HE1 MET 79 -15.493 -1.242 9.348 186 HE2 MET 79 HE2 MET 79 -17.229 -1.129 9.623 187 HE3 MET 79 HE3 MET 79 -16.160 0.110 10.269 188 H ASP 80 HN ASP 80 -19.717 -2.104 5.324 189 HA ASP 80 HA ASP 80 -19.337 -1.774 2.443 190 HB2 ASP 80 HB3 ASP 80 -21.439 -2.742 3.282 191 HB3 ASP 80 HB2 ASP 80 -21.755 -1.267 4.195 Start of MODEL 9 1 H1 ASP 59 HT1 ASP 59 -1.147 -10.635 6.051 2 H2 ASP 59 HT2 ASP 59 -2.405 -11.348 5.159 3 H3 ASP 59 HT3 ASP 59 -2.131 -9.675 5.061 4 HA ASP 59 HA ASP 59 0.260 -10.959 4.395 5 HB2 ASP 59 HB3 ASP 59 -2.240 -12.040 3.069 6 HB3 ASP 59 HB2 ASP 59 -0.640 -12.110 2.300 7 H THR 60 HN THR 60 0.912 -8.905 3.906 8 HA THR 60 HA THR 60 -0.698 -7.164 2.228 9 HB THR 60 HB THR 60 1.132 -5.562 2.536 10 HG1 THR 60 HG1 THR 60 2.547 -7.053 4.299 11 HG21 THR 60 HG21 THR 60 1.049 -5.426 5.019 12 HG22 THR 60 HG22 THR 60 0.360 -7.049 5.063 13 HG23 THR 60 HG23 THR 60 -0.538 -5.730 4.312 14 H LEU 61 HN LEU 61 1.558 -9.644 1.766 15 HA LEU 61 HA LEU 61 2.965 -8.715 -0.498 16 HB2 LEU 61 HB3 LEU 61 3.663 -10.704 0.762 17 HB3 LEU 61 HB2 LEU 61 2.192 -11.541 0.273 18 HG LEU 61 HG LEU 61 2.884 -11.376 -2.099 19 HD11 LEU 61 HD11 LEU 61 5.421 -10.724 -2.368 20 HD12 LEU 61 HD12 LEU 61 5.159 -9.825 -0.873 21 HD13 LEU 61 HD13 LEU 61 4.204 -9.451 -2.309 22 HD21 LEU 61 HD21 LEU 61 4.750 -12.972 -1.967 23 HD22 LEU 61 HD22 LEU 61 3.544 -13.337 -0.736 24 HD23 LEU 61 HD23 LEU 61 5.038 -12.513 -0.289 25 H LEU 62 HN LEU 62 -0.064 -10.551 -0.164 26 HA LEU 62 HA LEU 62 -0.563 -10.809 -2.940 27 HB2 LEU 62 HB3 LEU 62 -1.728 -12.173 -1.254 28 HB3 LEU 62 HB2 LEU 62 -2.524 -10.728 -0.635 29 HG LEU 62 HG LEU 62 -3.608 -10.380 -2.835 30 HD11 LEU 62 HD11 LEU 62 -3.482 -12.536 -4.358 31 HD12 LEU 62 HD12 LEU 62 -1.934 -12.786 -3.547 32 HD13 LEU 62 HD13 LEU 62 -2.220 -11.312 -4.473 33 HD21 LEU 62 HD21 LEU 62 -4.886 -11.611 -1.237 34 HD22 LEU 62 HD22 LEU 62 -3.937 -13.073 -1.495 35 HD23 LEU 62 HD23 LEU 62 -5.030 -12.500 -2.754 36 H GLY 63 HN GLY 63 -1.556 -8.412 -0.517 37 HA2 GLY 63 HA3 GLY 63 -3.210 -6.849 -2.168 38 HA3 GLY 63 HA2 GLY 63 -2.319 -6.249 -0.747 39 H ARG 64 HN ARG 64 0.226 -7.230 -1.917 40 HA ARG 64 HA ARG 64 0.886 -4.838 -3.386 41 HB2 ARG 64 HB3 ARG 64 2.375 -6.160 -1.704 42 HB3 ARG 64 HB2 ARG 64 2.719 -7.211 -3.076 43 HG2 ARG 64 HG3 ARG 64 3.393 -5.157 -4.382 44 HG3 ARG 64 HG2 ARG 64 3.225 -4.229 -2.892 45 HD2 ARG 64 HD3 ARG 64 5.057 -6.611 -3.277 46 HD3 ARG 64 HD2 ARG 64 5.570 -4.927 -3.260 47 HE ARG 64 HE ARG 64 4.768 -6.529 -0.955 48 HH11 ARG 64 HH21 ARG 64 5.411 -3.405 -2.304 49 HH12 ARG 64 HH22 ARG 64 5.700 -2.652 -0.771 50 HH21 ARG 64 HH11 ARG 64 5.144 -5.547 1.056 51 HH22 ARG 64 HH12 ARG 64 5.549 -3.864 1.131 52 H MET 65 HN MET 65 -1.072 -6.630 -4.587 53 HA MET 65 HA MET 65 0.156 -6.864 -7.228 54 HB2 MET 65 HB3 MET 65 0.547 -9.071 -6.058 55 HB3 MET 65 HB2 MET 65 -1.205 -9.264 -5.993 56 HG2 MET 65 HG3 MET 65 -1.345 -9.119 -8.436 57 HG3 MET 65 HG2 MET 65 0.408 -8.847 -8.531 58 HE1 MET 65 HE1 MET 65 -1.036 -10.863 -10.163 59 HE2 MET 65 HE2 MET 65 -0.233 -12.421 -9.978 60 HE3 MET 65 HE3 MET 65 0.730 -10.964 -10.208 61 H LEU 66 HN LEU 66 -2.720 -7.484 -5.227 62 HA LEU 66 HA LEU 66 -4.403 -6.231 -7.328 63 HB2 LEU 66 HB3 LEU 66 -5.113 -8.653 -5.649 64 HB3 LEU 66 HB2 LEU 66 -6.172 -7.849 -6.803 65 HG LEU 66 HG LEU 66 -3.506 -9.100 -7.526 66 HD11 LEU 66 HD11 LEU 66 -5.028 -10.854 -6.829 67 HD12 LEU 66 HD12 LEU 66 -4.941 -10.869 -8.591 68 HD13 LEU 66 HD13 LEU 66 -6.337 -10.154 -7.785 69 HD21 LEU 66 HD21 LEU 66 -4.708 -8.973 -9.859 70 HD22 LEU 66 HD22 LEU 66 -3.977 -7.513 -9.204 71 HD23 LEU 66 HD23 LEU 66 -5.719 -7.755 -9.084 72 HA PRO 67 HA PRO 67 -4.949 -4.475 -3.027 73 HB2 PRO 67 HB3 PRO 67 -4.100 -1.926 -3.502 74 HB3 PRO 67 HB2 PRO 67 -2.972 -3.250 -3.083 75 HG2 PRO 67 HG3 PRO 67 -3.648 -2.116 -5.780 76 HG3 PRO 67 HG2 PRO 67 -2.053 -2.545 -5.098 77 HD2 PRO 67 HD3 PRO 67 -3.415 -4.192 -6.812 78 HD3 PRO 67 HD2 PRO 67 -2.328 -4.811 -5.551 79 H GLN 68 HN GLN 68 -5.803 -3.493 -6.245 80 HA GLN 68 HA GLN 68 -8.157 -1.993 -5.251 81 HB2 GLN 68 HB3 GLN 68 -6.736 -1.967 -7.921 82 HB3 GLN 68 HB2 GLN 68 -8.291 -1.163 -7.615 83 HG2 GLN 68 HG3 GLN 68 -7.305 0.246 -5.924 84 HG3 GLN 68 HG2 GLN 68 -5.787 -0.651 -5.984 85 HE21 GLN 68 HE21 GLN 68 -6.236 2.261 -6.557 86 HE22 GLN 68 HE22 GLN 68 -5.679 2.494 -8.160 87 H LEU 69 HN LEU 69 -8.207 -4.759 -5.060 88 HA LEU 69 HA LEU 69 -10.583 -5.346 -6.511 89 HB2 LEU 69 HB3 LEU 69 -8.503 -5.708 -8.137 90 HB3 LEU 69 HB2 LEU 69 -8.374 -7.235 -7.273 91 HG LEU 69 HG LEU 69 -10.908 -6.242 -8.620 92 HD11 LEU 69 HD11 LEU 69 -10.380 -8.085 -10.260 93 HD12 LEU 69 HD12 LEU 69 -8.785 -8.204 -9.521 94 HD13 LEU 69 HD13 LEU 69 -9.274 -6.714 -10.330 95 HD21 LEU 69 HD21 LEU 69 -11.484 -8.723 -8.333 96 HD22 LEU 69 HD22 LEU 69 -11.471 -7.757 -6.858 97 HD23 LEU 69 HD23 LEU 69 -10.110 -8.811 -7.232 98 H VAL 70 HN VAL 70 -7.839 -7.372 -5.339 99 HA VAL 70 HA VAL 70 -9.589 -9.134 -3.945 100 HB VAL 70 HB VAL 70 -6.619 -8.616 -3.671 101 HG11 VAL 70 HG11 VAL 70 -7.286 -9.526 -1.569 102 HG12 VAL 70 HG12 VAL 70 -6.720 -10.910 -2.504 103 HG13 VAL 70 HG13 VAL 70 -8.449 -10.617 -2.323 104 HG21 VAL 70 HG21 VAL 70 -7.492 -9.590 -5.821 105 HG22 VAL 70 HG22 VAL 70 -8.165 -10.930 -4.890 106 HG23 VAL 70 HG23 VAL 70 -6.418 -10.683 -4.946 107 H CYS 71 HN CYS 71 -7.443 -6.533 -2.845 108 HA CYS 71 HA CYS 71 -8.310 -6.602 -0.137 109 HB2 CYS 71 HB3 CYS 71 -6.880 -4.493 -1.767 110 HB3 CYS 71 HB2 CYS 71 -7.214 -4.331 -0.031 111 HG CYS 71 HG CYS 71 -5.744 -6.924 -0.782 112 H ARG 72 HN ARG 72 -9.203 -4.790 -3.020 113 HA ARG 72 HA ARG 72 -10.908 -2.929 -1.827 114 HB2 ARG 72 HB3 ARG 72 -10.119 -2.801 -4.173 115 HB3 ARG 72 HB2 ARG 72 -11.150 -4.170 -4.570 116 HG2 ARG 72 HG3 ARG 72 -12.322 -2.149 -5.197 117 HG3 ARG 72 HG2 ARG 72 -13.137 -2.832 -3.795 118 HD2 ARG 72 HD3 ARG 72 -10.967 -0.791 -3.365 119 HD3 ARG 72 HD2 ARG 72 -12.564 -0.252 -3.871 120 HE ARG 72 HE ARG 72 -12.886 -2.016 -1.704 121 HH11 ARG 72 HH21 ARG 72 -11.559 1.085 -2.476 122 HH12 ARG 72 HH22 ARG 72 -11.814 1.743 -0.893 123 HH21 ARG 72 HH11 ARG 72 -13.224 -1.159 0.375 124 HH22 ARG 72 HH12 ARG 72 -12.757 0.472 0.719 125 H LEU 73 HN LEU 73 -11.614 -6.116 -3.228 126 HA LEU 73 HA LEU 73 -14.385 -6.087 -2.633 127 HB2 LEU 73 HB3 LEU 73 -13.435 -7.576 -4.326 128 HB3 LEU 73 HB2 LEU 73 -12.513 -8.424 -3.068 129 HG LEU 73 HG LEU 73 -14.621 -9.120 -1.986 130 HD11 LEU 73 HD11 LEU 73 -16.732 -8.758 -3.523 131 HD12 LEU 73 HD12 LEU 73 -15.816 -7.383 -4.143 132 HD13 LEU 73 HD13 LEU 73 -16.229 -7.469 -2.431 133 HD21 LEU 73 HD21 LEU 73 -13.710 -10.629 -3.614 134 HD22 LEU 73 HD22 LEU 73 -14.354 -9.669 -4.945 135 HD23 LEU 73 HD23 LEU 73 -15.450 -10.567 -3.894 136 H VAL 74 HN VAL 74 -11.572 -7.451 -0.986 137 HA VAL 74 HA VAL 74 -12.956 -8.667 1.148 138 HB VAL 74 HB VAL 74 -10.119 -7.680 0.823 139 HG11 VAL 74 HG11 VAL 74 -11.458 -9.108 3.144 140 HG12 VAL 74 HG12 VAL 74 -10.477 -7.643 3.200 141 HG13 VAL 74 HG13 VAL 74 -9.719 -9.201 2.865 142 HG21 VAL 74 HG21 VAL 74 -11.101 -9.670 -0.500 143 HG22 VAL 74 HG22 VAL 74 -11.175 -10.510 1.047 144 HG23 VAL 74 HG23 VAL 74 -9.619 -9.974 0.410 145 H LEU 75 HN LEU 75 -11.355 -5.468 0.956 146 HA LEU 75 HA LEU 75 -11.982 -4.703 3.605 147 HB2 LEU 75 HB3 LEU 75 -11.423 -3.076 1.116 148 HB3 LEU 75 HB2 LEU 75 -11.659 -2.347 2.714 149 HG LEU 75 HG LEU 75 -9.587 -4.491 2.133 150 HD11 LEU 75 HD11 LEU 75 -7.939 -2.694 2.044 151 HD12 LEU 75 HD12 LEU 75 -9.195 -1.491 2.335 152 HD13 LEU 75 HD13 LEU 75 -9.182 -2.404 0.826 153 HD21 LEU 75 HD21 LEU 75 -8.620 -3.262 4.285 154 HD22 LEU 75 HD22 LEU 75 -9.857 -4.500 4.456 155 HD23 LEU 75 HD23 LEU 75 -10.305 -2.798 4.523 156 H ARG 76 HN ARG 76 -13.662 -4.268 0.530 157 HA ARG 76 HA ARG 76 -15.800 -2.724 1.541 158 HB2 ARG 76 HB3 ARG 76 -15.569 -4.536 -0.866 159 HB3 ARG 76 HB2 ARG 76 -17.006 -3.571 -0.530 160 HG2 ARG 76 HG3 ARG 76 -14.297 -2.246 -0.597 161 HG3 ARG 76 HG2 ARG 76 -15.134 -2.599 -2.105 162 HD2 ARG 76 HD3 ARG 76 -17.102 -1.328 -1.295 163 HD3 ARG 76 HD2 ARG 76 -16.236 -0.941 0.187 164 HE ARG 76 HE ARG 76 -14.648 -0.141 -1.991 165 HH11 ARG 76 HH21 ARG 76 -17.654 0.589 -0.439 166 HH12 ARG 76 HH22 ARG 76 -17.638 2.261 -0.890 167 HH21 ARG 76 HH11 ARG 76 -14.621 2.051 -2.586 168 HH22 ARG 76 HH12 ARG 76 -15.922 3.089 -2.105 169 H CYS 77 HN CYS 77 -15.289 -6.189 1.199 170 HA CYS 77 HA CYS 77 -17.868 -7.063 1.889 171 HB2 CYS 77 HB3 CYS 77 -16.160 -8.533 0.898 172 HB3 CYS 77 HB2 CYS 77 -15.198 -8.412 2.387 173 HG CYS 77 HG CYS 77 -17.918 -9.351 3.160 174 H SER 78 HN SER 78 -14.982 -6.536 3.908 175 HA SER 78 HA SER 78 -16.135 -7.301 6.360 176 HB2 SER 78 HB3 SER 78 -13.715 -7.039 6.072 177 HB3 SER 78 HB2 SER 78 -13.926 -5.294 5.820 178 HG SER 78 HG SER 78 -13.940 -6.780 8.134 179 H MET 79 HN MET 79 -15.901 -4.135 4.766 180 HA MET 79 HA MET 79 -18.244 -3.208 6.237 181 HB2 MET 79 HB3 MET 79 -16.345 -2.650 7.733 182 HB3 MET 79 HB2 MET 79 -15.602 -1.727 6.411 183 HG2 MET 79 HG3 MET 79 -17.573 -0.249 6.331 184 HG3 MET 79 HG2 MET 79 -18.333 -1.171 7.623 185 HE1 MET 79 HE1 MET 79 -16.589 -0.389 10.769 186 HE2 MET 79 HE2 MET 79 -15.894 -1.698 9.821 187 HE3 MET 79 HE3 MET 79 -17.637 -1.449 9.817 188 H ASP 80 HN ASP 80 -19.406 -1.734 5.095 189 HA ASP 80 HA ASP 80 -18.200 -0.299 2.852 190 HB2 ASP 80 HB3 ASP 80 -19.782 -1.148 1.216 191 HB3 ASP 80 HB2 ASP 80 -18.878 -2.495 1.906 Start of MODEL 10 1 H1 ASP 59 HT1 ASP 59 -0.322 -12.071 4.422 2 H2 ASP 59 HT2 ASP 59 0.636 -11.469 3.154 3 H3 ASP 59 HT3 ASP 59 -1.056 -11.346 3.076 4 HA ASP 59 HA ASP 59 -1.071 -9.840 4.956 5 HB2 ASP 59 HB3 ASP 59 1.238 -8.938 5.623 6 HB3 ASP 59 HB2 ASP 59 0.820 -10.561 6.210 7 H THR 60 HN THR 60 1.913 -8.691 3.737 8 HA THR 60 HA THR 60 0.561 -6.660 2.164 9 HB THR 60 HB THR 60 2.796 -5.682 1.931 10 HG1 THR 60 HG1 THR 60 3.917 -7.603 3.582 11 HG21 THR 60 HG21 THR 60 2.117 -6.675 4.711 12 HG22 THR 60 HG22 THR 60 1.593 -5.162 3.970 13 HG23 THR 60 HG23 THR 60 3.292 -5.405 4.376 14 H LEU 61 HN LEU 61 1.890 -9.735 1.627 15 HA LEU 61 HA LEU 61 2.973 -9.430 -0.963 16 HB2 LEU 61 HB3 LEU 61 3.354 -11.438 0.399 17 HB3 LEU 61 HB2 LEU 61 1.643 -11.838 0.306 18 HG LEU 61 HG LEU 61 1.826 -12.059 -2.153 19 HD11 LEU 61 HD11 LEU 61 3.547 -10.633 -2.857 20 HD12 LEU 61 HD12 LEU 61 4.325 -12.208 -2.968 21 HD13 LEU 61 HD13 LEU 61 4.647 -11.162 -1.584 22 HD21 LEU 61 HD21 LEU 61 2.287 -13.972 -0.542 23 HD22 LEU 61 HD22 LEU 61 4.006 -13.662 -0.792 24 HD23 LEU 61 HD23 LEU 61 2.992 -14.157 -2.148 25 H LEU 62 HN LEU 62 -0.287 -10.258 0.178 26 HA LEU 62 HA LEU 62 -1.457 -10.578 -2.380 27 HB2 LEU 62 HB3 LEU 62 -2.521 -11.378 -0.310 28 HB3 LEU 62 HB2 LEU 62 -2.718 -9.714 0.232 29 HG LEU 62 HG LEU 62 -4.150 -9.249 -1.742 30 HD11 LEU 62 HD11 LEU 62 -4.996 -11.467 -2.893 31 HD12 LEU 62 HD12 LEU 62 -3.438 -12.108 -2.372 32 HD13 LEU 62 HD13 LEU 62 -3.505 -10.712 -3.449 33 HD21 LEU 62 HD21 LEU 62 -5.344 -9.835 0.219 34 HD22 LEU 62 HD22 LEU 62 -4.871 -11.530 0.104 35 HD23 LEU 62 HD23 LEU 62 -6.030 -10.860 -1.038 36 H GLY 63 HN GLY 63 -1.262 -7.818 -0.156 37 HA2 GLY 63 HA3 GLY 63 -2.703 -5.976 -1.736 38 HA3 GLY 63 HA2 GLY 63 -1.505 -5.554 -0.492 39 H ARG 64 HN ARG 64 0.425 -7.351 -1.994 40 HA ARG 64 HA ARG 64 1.430 -5.272 -3.781 41 HB2 ARG 64 HB3 ARG 64 2.615 -7.770 -2.581 42 HB3 ARG 64 HB2 ARG 64 3.426 -6.919 -3.892 43 HG2 ARG 64 HG3 ARG 64 2.517 -5.382 -1.463 44 HG3 ARG 64 HG2 ARG 64 4.006 -6.320 -1.390 45 HD2 ARG 64 HD3 ARG 64 3.425 -4.220 -3.504 46 HD3 ARG 64 HD2 ARG 64 4.372 -3.934 -2.051 47 HE ARG 64 HE ARG 64 5.506 -6.145 -3.299 48 HH11 ARG 64 HH21 ARG 64 4.852 -2.819 -3.991 49 HH12 ARG 64 HH22 ARG 64 6.216 -2.625 -5.041 50 HH21 ARG 64 HH11 ARG 64 7.298 -5.899 -4.676 51 HH22 ARG 64 HH12 ARG 64 7.600 -4.369 -5.428 52 H MET 65 HN MET 65 -0.943 -6.843 -4.535 53 HA MET 65 HA MET 65 0.022 -7.693 -7.165 54 HB2 MET 65 HB3 MET 65 0.024 -9.698 -5.520 55 HB3 MET 65 HB2 MET 65 -1.732 -9.600 -5.618 56 HG2 MET 65 HG3 MET 65 -1.017 -11.183 -7.289 57 HG3 MET 65 HG2 MET 65 -1.501 -9.703 -8.143 58 HE1 MET 65 HE1 MET 65 -0.341 -10.320 -10.231 59 HE2 MET 65 HE2 MET 65 0.235 -11.855 -9.590 60 HE3 MET 65 HE3 MET 65 1.357 -10.774 -10.413 61 H LEU 66 HN LEU 66 -2.942 -7.950 -5.159 62 HA LEU 66 HA LEU 66 -4.386 -6.374 -7.223 63 HB2 LEU 66 HB3 LEU 66 -5.405 -8.839 -5.787 64 HB3 LEU 66 HB2 LEU 66 -6.331 -7.843 -6.908 65 HG LEU 66 HG LEU 66 -3.752 -9.269 -7.634 66 HD11 LEU 66 HD11 LEU 66 -5.270 -10.816 -8.893 67 HD12 LEU 66 HD12 LEU 66 -6.645 -10.044 -8.105 68 HD13 LEU 66 HD13 LEU 66 -5.460 -10.926 -7.143 69 HD21 LEU 66 HD21 LEU 66 -4.002 -7.522 -9.190 70 HD22 LEU 66 HD22 LEU 66 -5.763 -7.600 -9.149 71 HD23 LEU 66 HD23 LEU 66 -4.843 -8.844 -9.991 72 HA PRO 67 HA PRO 67 -5.035 -4.874 -2.842 73 HB2 PRO 67 HB3 PRO 67 -3.916 -2.390 -3.090 74 HB3 PRO 67 HB2 PRO 67 -2.961 -3.841 -2.672 75 HG2 PRO 67 HG3 PRO 67 -3.300 -2.493 -5.333 76 HG3 PRO 67 HG2 PRO 67 -1.817 -3.131 -4.567 77 HD2 PRO 67 HD3 PRO 67 -3.200 -4.517 -6.484 78 HD3 PRO 67 HD2 PRO 67 -2.285 -5.326 -5.191 79 H GLN 68 HN GLN 68 -5.606 -3.647 -6.033 80 HA GLN 68 HA GLN 68 -7.848 -1.962 -5.069 81 HB2 GLN 68 HB3 GLN 68 -6.415 -1.943 -7.737 82 HB3 GLN 68 HB2 GLN 68 -7.758 -0.880 -7.262 83 HG2 GLN 68 HG3 GLN 68 -6.388 -0.010 -5.392 84 HG3 GLN 68 HG2 GLN 68 -5.049 -1.037 -5.899 85 HE21 GLN 68 HE21 GLN 68 -3.533 0.163 -7.037 86 HE22 GLN 68 HE22 GLN 68 -3.904 1.428 -8.130 87 H LEU 69 HN LEU 69 -8.163 -4.728 -5.072 88 HA LEU 69 HA LEU 69 -10.510 -4.979 -6.661 89 HB2 LEU 69 HB3 LEU 69 -8.413 -5.421 -8.233 90 HB3 LEU 69 HB2 LEU 69 -8.441 -7.007 -7.470 91 HG LEU 69 HG LEU 69 -10.829 -5.717 -8.833 92 HD11 LEU 69 HD11 LEU 69 -10.411 -7.333 -10.640 93 HD12 LEU 69 HD12 LEU 69 -8.972 -7.912 -9.799 94 HD13 LEU 69 HD13 LEU 69 -9.022 -6.266 -10.431 95 HD21 LEU 69 HD21 LEU 69 -10.308 -8.417 -7.570 96 HD22 LEU 69 HD22 LEU 69 -11.609 -8.168 -8.734 97 HD23 LEU 69 HD23 LEU 69 -11.608 -7.281 -7.210 98 H VAL 70 HN VAL 70 -8.025 -7.337 -5.531 99 HA VAL 70 HA VAL 70 -10.000 -9.016 -4.352 100 HB VAL 70 HB VAL 70 -7.012 -8.818 -3.901 101 HG11 VAL 70 HG11 VAL 70 -9.090 -10.749 -2.838 102 HG12 VAL 70 HG12 VAL 70 -7.914 -9.813 -1.917 103 HG13 VAL 70 HG13 VAL 70 -7.377 -11.159 -2.924 104 HG21 VAL 70 HG21 VAL 70 -8.699 -10.862 -5.383 105 HG22 VAL 70 HG22 VAL 70 -6.938 -10.785 -5.333 106 HG23 VAL 70 HG23 VAL 70 -7.853 -9.527 -6.165 107 H CYS 71 HN CYS 71 -7.685 -6.707 -2.980 108 HA CYS 71 HA CYS 71 -8.655 -6.880 -0.317 109 HB2 CYS 71 HB3 CYS 71 -7.047 -4.764 -1.751 110 HB3 CYS 71 HB2 CYS 71 -7.424 -4.705 -0.020 111 HG CYS 71 HG CYS 71 -5.973 -7.231 -1.109 112 H ARG 72 HN ARG 72 -9.328 -4.827 -3.098 113 HA ARG 72 HA ARG 72 -10.932 -2.933 -1.828 114 HB2 ARG 72 HB3 ARG 72 -10.082 -2.703 -4.139 115 HB3 ARG 72 HB2 ARG 72 -11.184 -3.979 -4.650 116 HG2 ARG 72 HG3 ARG 72 -12.205 -1.840 -5.164 117 HG3 ARG 72 HG2 ARG 72 -13.106 -2.572 -3.843 118 HD2 ARG 72 HD3 ARG 72 -10.834 -0.707 -3.201 119 HD3 ARG 72 HD2 ARG 72 -12.380 -0.037 -3.703 120 HE ARG 72 HE ARG 72 -12.845 -1.942 -1.674 121 HH11 ARG 72 HH21 ARG 72 -11.401 1.157 -2.210 122 HH12 ARG 72 HH22 ARG 72 -11.677 1.719 -0.595 123 HH21 ARG 72 HH11 ARG 72 -13.208 -1.211 0.447 124 HH22 ARG 72 HH12 ARG 72 -12.700 0.379 0.908 125 H LEU 73 HN LEU 73 -11.828 -5.962 -3.456 126 HA LEU 73 HA LEU 73 -14.603 -5.771 -2.898 127 HB2 LEU 73 HB3 LEU 73 -13.735 -7.201 -4.681 128 HB3 LEU 73 HB2 LEU 73 -12.897 -8.202 -3.479 129 HG LEU 73 HG LEU 73 -15.066 -8.820 -2.475 130 HD11 LEU 73 HD11 LEU 73 -17.121 -8.192 -4.002 131 HD12 LEU 73 HD12 LEU 73 -16.098 -6.847 -4.510 132 HD13 LEU 73 HD13 LEU 73 -16.545 -7.026 -2.813 133 HD21 LEU 73 HD21 LEU 73 -14.791 -9.171 -5.463 134 HD22 LEU 73 HD22 LEU 73 -15.969 -10.056 -4.495 135 HD23 LEU 73 HD23 LEU 73 -14.244 -10.271 -4.199 136 H VAL 74 HN VAL 74 -11.933 -7.463 -1.322 137 HA VAL 74 HA VAL 74 -13.442 -8.719 0.699 138 HB VAL 74 HB VAL 74 -10.533 -7.944 0.489 139 HG11 VAL 74 HG11 VAL 74 -10.926 -8.069 2.853 140 HG12 VAL 74 HG12 VAL 74 -10.298 -9.656 2.404 141 HG13 VAL 74 HG13 VAL 74 -12.027 -9.434 2.668 142 HG21 VAL 74 HG21 VAL 74 -10.210 -10.236 -0.095 143 HG22 VAL 74 HG22 VAL 74 -11.630 -9.726 -1.010 144 HG23 VAL 74 HG23 VAL 74 -11.825 -10.683 0.456 145 H LEU 75 HN LEU 75 -11.606 -5.641 0.761 146 HA LEU 75 HA LEU 75 -12.177 -5.051 3.464 147 HB2 LEU 75 HB3 LEU 75 -11.520 -3.270 1.109 148 HB3 LEU 75 HB2 LEU 75 -11.717 -2.650 2.759 149 HG LEU 75 HG LEU 75 -9.777 -4.871 2.022 150 HD11 LEU 75 HD11 LEU 75 -8.034 -3.072 2.230 151 HD12 LEU 75 HD12 LEU 75 -9.337 -1.882 2.277 152 HD13 LEU 75 HD13 LEU 75 -9.095 -2.871 0.836 153 HD21 LEU 75 HD21 LEU 75 -10.051 -5.026 4.336 154 HD22 LEU 75 HD22 LEU 75 -10.395 -3.308 4.525 155 HD23 LEU 75 HD23 LEU 75 -8.743 -3.852 4.250 156 H ARG 76 HN ARG 76 -13.851 -4.214 0.459 157 HA ARG 76 HA ARG 76 -15.880 -2.660 1.674 158 HB2 ARG 76 HB3 ARG 76 -15.752 -4.159 -0.939 159 HB3 ARG 76 HB2 ARG 76 -17.157 -3.205 -0.460 160 HG2 ARG 76 HG3 ARG 76 -15.772 -1.201 -0.265 161 HG3 ARG 76 HG2 ARG 76 -14.325 -2.131 -0.639 162 HD2 ARG 76 HD3 ARG 76 -15.235 -2.677 -2.859 163 HD3 ARG 76 HD2 ARG 76 -16.706 -1.784 -2.484 164 HE ARG 76 HE ARG 76 -14.520 -0.053 -2.124 165 HH11 ARG 76 HH21 ARG 76 -16.162 -1.817 -4.608 166 HH12 ARG 76 HH22 ARG 76 -15.771 -0.685 -5.860 167 HH21 ARG 76 HH11 ARG 76 -14.005 1.436 -3.760 168 HH22 ARG 76 HH12 ARG 76 -14.551 1.157 -5.380 169 H CYS 77 HN CYS 77 -15.590 -6.094 0.938 170 HA CYS 77 HA CYS 77 -18.216 -6.875 1.568 171 HB2 CYS 77 HB3 CYS 77 -16.620 -8.331 0.392 172 HB3 CYS 77 HB2 CYS 77 -15.637 -8.441 1.869 173 HG CYS 77 HG CYS 77 -18.410 -9.279 2.573 174 H SER 78 HN SER 78 -15.285 -6.756 3.587 175 HA SER 78 HA SER 78 -16.455 -7.733 5.954 176 HB2 SER 78 HB3 SER 78 -14.028 -7.571 5.657 177 HB3 SER 78 HB2 SER 78 -14.143 -5.801 5.611 178 HG SER 78 HG SER 78 -13.837 -6.071 7.698 179 H MET 79 HN MET 79 -16.062 -4.412 4.745 180 HA MET 79 HA MET 79 -18.345 -3.552 6.335 181 HB2 MET 79 HB3 MET 79 -17.138 -1.739 7.457 182 HB3 MET 79 HB2 MET 79 -16.455 -3.315 7.909 183 HG2 MET 79 HG3 MET 79 -14.701 -2.996 6.149 184 HG3 MET 79 HG2 MET 79 -15.343 -1.385 5.843 185 HE1 MET 79 HE1 MET 79 -14.736 -3.279 9.492 186 HE2 MET 79 HE2 MET 79 -13.005 -2.973 9.398 187 HE3 MET 79 HE3 MET 79 -13.806 -3.854 8.103 188 H ASP 80 HN ASP 80 -19.008 -1.342 5.804 189 HA ASP 80 HA ASP 80 -17.838 -0.142 3.408 190 HB2 ASP 80 HB3 ASP 80 -19.914 -0.184 2.145 191 HB3 ASP 80 HB2 ASP 80 -19.443 -1.834 2.547
Contact the webmaster for help, if required. Sunday, May 5, 2024 5:58:45 PM GMT (wattos1)