NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
640017 | 6aab | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 2.213 1.022 -1.569 3 HA3 GLY 1 3HA GLY 1 3.038 -0.450 -1.078 4 H SER 2 H SER 2 3.106 -1.209 -3.214 5 HA SER 2 HA SER 2 0.544 -1.763 -4.513 6 HB2 SER 2 2HB SER 2 2.375 -2.673 -6.282 7 HB3 SER 2 3HB SER 2 1.842 -0.993 -6.219 8 HG SER 2 HG SER 2 3.663 -0.470 -5.066 9 H LYS 3 H LYS 3 3.567 -3.497 -3.759 10 HA LYS 3 HA LYS 3 1.967 -5.922 -3.315 11 HB2 LYS 3 2HB LYS 3 3.832 -7.238 -4.362 12 HB3 LYS 3 3HB LYS 3 2.913 -6.245 -5.485 13 HG2 LYS 3 2HG LYS 3 5.380 -5.102 -4.286 14 HG3 LYS 3 3HG LYS 3 5.540 -6.326 -5.548 15 HD2 LYS 3 2HD LYS 3 3.651 -4.688 -6.622 16 HD3 LYS 3 3HD LYS 3 4.639 -3.536 -5.720 17 HE2 LYS 3 2HE LYS 3 6.531 -3.981 -6.971 18 HE3 LYS 3 3HE LYS 3 5.957 -5.573 -7.463 19 HZ1 LYS 3 1HZ LYS 3 4.154 -4.224 -8.692 20 HZ2 LYS 3 2HZ LYS 3 5.700 -4.333 -9.368 21 HZ3 LYS 3 3HZ LYS 3 5.236 -2.931 -8.543 22 H LYS 4 H LYS 4 3.269 -7.624 -2.136 23 HA LYS 4 HA LYS 4 5.188 -6.392 -0.276 24 HB2 LYS 4 2HB LYS 4 2.770 -8.064 0.348 25 HB3 LYS 4 3HB LYS 4 4.137 -8.009 1.453 26 HG2 LYS 4 2HG LYS 4 3.071 -5.410 0.540 27 HG3 LYS 4 3HG LYS 4 2.049 -6.357 1.623 28 HD2 LYS 4 2HD LYS 4 4.573 -6.529 2.756 29 HD3 LYS 4 3HD LYS 4 4.471 -4.860 2.188 30 HE2 LYS 4 2HE LYS 4 2.107 -4.949 3.314 31 HE3 LYS 4 3HE LYS 4 2.814 -6.284 4.222 32 HZ1 LYS 4 1HZ LYS 4 3.963 -4.876 5.470 33 HZ2 LYS 4 2HZ LYS 4 3.058 -3.618 4.792 34 HZ3 LYS 4 3HZ LYS 4 4.559 -4.033 4.130 35 HA PRO 5 HA PRO 5 7.028 -10.184 -2.164 36 HB2 PRO 5 2HB PRO 5 9.505 -9.107 -2.440 37 HB3 PRO 5 3HB PRO 5 8.230 -8.903 -3.646 38 HG2 PRO 5 2HG PRO 5 9.124 -7.020 -1.498 39 HG3 PRO 5 3HG PRO 5 8.715 -6.675 -3.188 40 HD2 PRO 5 2HD PRO 5 6.994 -6.213 -1.150 41 HD3 PRO 5 3HD PRO 5 6.447 -6.682 -2.772 42 H VAL 6 H VAL 6 7.403 -8.386 0.668 43 HA VAL 6 HA VAL 6 9.451 -10.183 1.754 44 HB VAL 6 HB VAL 6 8.276 -7.674 2.960 45 HG11 VAL 6 1HG1 VAL 6 10.033 -7.840 4.609 46 HG12 VAL 6 2HG1 VAL 6 9.080 -9.326 4.613 47 HG13 VAL 6 3HG1 VAL 6 10.664 -9.294 3.836 48 HG21 VAL 6 1HG2 VAL 6 11.025 -8.054 1.793 49 HG22 VAL 6 2HG2 VAL 6 9.673 -7.377 0.886 50 HG23 VAL 6 3HG2 VAL 6 10.271 -6.551 2.324 51 HA PRO 7 HA PRO 7 6.332 -12.539 3.825 52 HB2 PRO 7 2HB PRO 7 7.976 -13.877 5.522 53 HB3 PRO 7 3HB PRO 7 7.851 -14.263 3.802 54 HG2 PRO 7 2HG PRO 7 9.917 -12.637 5.232 55 HG3 PRO 7 3HG PRO 7 10.134 -13.853 3.960 56 HD2 PRO 7 2HD PRO 7 10.186 -11.193 3.457 57 HD3 PRO 7 3HD PRO 7 9.581 -12.375 2.279 58 H ILE 8 H ILE 8 6.935 -9.787 4.754 59 HA ILE 8 HA ILE 8 7.322 -9.698 7.532 60 HB ILE 8 HB ILE 8 5.975 -7.493 7.317 61 HG12 ILE 8 2HG1 ILE 8 5.712 -6.631 5.081 62 HG13 ILE 8 3HG1 ILE 8 6.484 -8.054 4.390 63 HG21 ILE 8 1HG2 ILE 8 8.652 -8.243 6.469 64 HG22 ILE 8 2HG2 ILE 8 8.081 -6.764 5.697 65 HG23 ILE 8 3HG2 ILE 8 8.116 -6.883 7.456 66 HD11 ILE 8 1HD1 ILE 8 3.982 -7.939 4.192 67 HD12 ILE 8 2HD1 ILE 8 4.630 -9.419 4.901 68 HD13 ILE 8 3HD1 ILE 8 3.916 -8.184 5.937 69 H ILE 9 H ILE 9 5.537 -8.754 9.016 70 HA ILE 9 HA ILE 9 3.330 -10.655 8.959 71 HB ILE 9 HB ILE 9 4.429 -10.527 11.067 72 HG12 ILE 9 2HG1 ILE 9 2.603 -9.777 12.559 73 HG13 ILE 9 3HG1 ILE 9 1.841 -8.962 11.197 74 HG21 ILE 9 1HG2 ILE 9 4.495 -8.345 12.333 75 HG22 ILE 9 2HG2 ILE 9 5.575 -8.461 10.945 76 HG23 ILE 9 3HG2 ILE 9 4.069 -7.552 10.817 77 HD11 ILE 9 1HD1 ILE 9 1.462 -11.595 12.053 78 HD12 ILE 9 2HD1 ILE 9 0.819 -10.827 10.601 79 HD13 ILE 9 3HD1 ILE 9 2.350 -11.699 10.533 80 H TYR 10 H TYR 10 1.190 -10.116 8.846 81 HA TYR 10 HA TYR 10 0.499 -7.276 8.571 82 HB2 TYR 10 2HB TYR 10 -0.554 -7.525 6.529 83 HB3 TYR 10 3HB TYR 10 0.806 -8.626 6.339 84 HD1 TYR 10 HD1 TYR 10 -2.774 -8.304 6.386 85 HD2 TYR 10 HD2 TYR 10 0.419 -11.098 6.701 86 HE1 TYR 10 HE1 TYR 10 -4.337 -10.137 5.889 87 HE2 TYR 10 HE2 TYR 10 -1.134 -12.938 6.203 88 HH TYR 10 HH TYR 10 -3.629 -12.916 4.811 89 H CYS 11 H CYS 11 -1.341 -6.700 9.569 90 HA CYS 11 HA CYS 11 -2.820 -8.789 10.975 91 HB2 CYS 11 2HB CYS 11 -2.691 -5.790 11.281 92 HB3 CYS 11 3HB CYS 11 -3.873 -6.774 12.137 93 H ASN 12 H ASN 12 -4.568 -9.596 10.036 94 HA ASN 12 HA ASN 12 -6.024 -8.013 8.064 95 HB2 ASN 12 2HB ASN 12 -5.296 -10.637 8.062 96 HB3 ASN 12 3HB ASN 12 -6.949 -10.751 8.660 97 HD21 ASN 12 1HD2 ASN 12 -6.160 -11.829 6.240 98 HD22 ASN 12 2HD2 ASN 12 -6.934 -10.965 4.960 99 H ARG 13 H ARG 13 -7.210 -6.568 9.277 100 HA ARG 13 HA ARG 13 -8.574 -7.003 11.628 101 HB2 ARG 13 2HB ARG 13 -9.308 -4.906 11.318 102 HB3 ARG 13 3HB ARG 13 -8.355 -4.921 9.840 103 HG2 ARG 13 2HG ARG 13 -10.343 -5.690 8.601 104 HG3 ARG 13 3HG ARG 13 -11.284 -5.571 10.090 105 HD2 ARG 13 2HD ARG 13 -9.828 -3.295 8.748 106 HD3 ARG 13 3HD ARG 13 -11.562 -3.598 8.651 107 HE ARG 13 HE ARG 13 -10.717 -3.397 11.351 108 HH11 ARG 13 1HH1 ARG 13 -11.393 -1.488 8.519 109 HH12 ARG 13 2HH1 ARG 13 -11.809 -0.066 9.417 110 HH21 ARG 13 1HH2 ARG 13 -11.263 -1.531 12.545 111 HH22 ARG 13 2HH2 ARG 13 -11.734 -0.092 11.707 112 H ARG 14 H ARG 14 -9.471 -7.911 8.373 113 HA ARG 14 HA ARG 14 -12.183 -8.417 8.703 114 HB2 ARG 14 2HB ARG 14 -10.159 -9.875 6.996 115 HB3 ARG 14 3HB ARG 14 -11.901 -10.068 6.852 116 HG2 ARG 14 2HG ARG 14 -10.337 -7.538 6.385 117 HG3 ARG 14 3HG ARG 14 -11.082 -8.561 5.155 118 HD2 ARG 14 2HD ARG 14 -13.274 -8.124 6.441 119 HD3 ARG 14 3HD ARG 14 -12.394 -6.792 7.188 120 HE ARG 14 HE ARG 14 -13.415 -6.901 4.515 121 HH11 ARG 14 1HH1 ARG 14 -10.960 -5.518 6.560 122 HH12 ARG 14 2HH1 ARG 14 -10.726 -4.125 5.557 123 HH21 ARG 14 1HH2 ARG 14 -13.115 -5.071 3.186 124 HH22 ARG 14 2HH2 ARG 14 -11.953 -3.871 3.639 125 H THR 15 H THR 15 -9.399 -10.493 9.389 126 HA THR 15 HA THR 15 -11.212 -12.443 10.641 127 HB THR 15 HB THR 15 -9.886 -14.104 9.928 128 HG1 THR 15 HG1 THR 15 -7.523 -12.583 10.358 129 HG21 THR 15 1HG2 THR 15 -8.480 -13.618 7.979 130 HG22 THR 15 2HG2 THR 15 -8.540 -11.898 8.363 131 HG23 THR 15 3HG2 THR 15 -10.012 -12.750 7.895 132 H GLY 16 H GLY 16 -9.633 -9.820 11.563 133 HA2 GLY 16 2HA GLY 16 -8.612 -9.085 13.492 134 HA3 GLY 16 3HA GLY 16 -9.688 -10.237 14.269 135 H LYS 17 H LYS 17 -6.811 -10.597 12.198 136 HA LYS 17 HA LYS 17 -5.205 -11.602 14.342 137 HB2 LYS 17 2HB LYS 17 -5.309 -13.842 14.044 138 HB3 LYS 17 3HB LYS 17 -6.892 -13.481 13.368 139 HG2 LYS 17 2HG LYS 17 -5.875 -13.417 11.117 140 HG3 LYS 17 3HG LYS 17 -4.333 -13.892 11.834 141 HD2 LYS 17 2HD LYS 17 -4.941 -16.038 11.930 142 HD3 LYS 17 3HD LYS 17 -6.497 -15.638 12.660 143 HE2 LYS 17 2HE LYS 17 -6.505 -14.842 9.914 144 HE3 LYS 17 3HE LYS 17 -5.977 -16.520 10.030 145 HZ1 LYS 17 1HZ LYS 17 -7.970 -16.917 11.445 146 HZ2 LYS 17 2HZ LYS 17 -8.327 -16.511 9.842 147 HZ3 LYS 17 3HZ LYS 17 -8.501 -15.356 11.065 148 H CYS 18 H CYS 18 -3.048 -11.633 13.826 149 HA CYS 18 HA CYS 18 -2.371 -10.537 11.200 150 HB2 CYS 18 2HB CYS 18 -0.523 -10.863 13.564 151 HB3 CYS 18 3HB CYS 18 -0.315 -9.811 12.168 152 H GLN 19 H GLN 19 -1.162 -11.589 9.721 153 HA GLN 19 HA GLN 19 0.145 -14.097 10.477 154 HB2 GLN 19 2HB GLN 19 -0.925 -14.580 7.934 155 HB3 GLN 19 3HB GLN 19 -1.402 -15.333 9.449 156 HG2 GLN 19 2HG GLN 19 -3.090 -13.633 9.797 157 HG3 GLN 19 3HG GLN 19 -2.583 -12.803 8.327 158 HE21 GLN 19 1HE2 GLN 19 -2.252 -14.892 6.599 159 HE22 GLN 19 2HE2 GLN 19 -3.774 -15.658 6.309 160 H ARG 20 H ARG 20 1.151 -14.960 8.180 161 HA ARG 20 HA ARG 20 2.794 -12.700 7.257 162 HB2 ARG 20 2HB ARG 20 4.502 -14.369 6.699 163 HB3 ARG 20 3HB ARG 20 4.049 -14.460 8.396 164 HG2 ARG 20 2HG ARG 20 2.354 -16.275 7.368 165 HG3 ARG 20 3HG ARG 20 3.696 -16.422 6.231 166 HD2 ARG 20 2HD ARG 20 4.707 -16.282 8.908 167 HD3 ARG 20 3HD ARG 20 3.474 -17.538 8.806 168 HE ARG 20 HE ARG 20 4.881 -18.775 7.478 169 HH11 ARG 20 1HH1 ARG 20 6.103 -15.528 7.764 170 HH12 ARG 20 2HH1 ARG 20 7.622 -15.894 7.014 171 HH21 ARG 20 1HH2 ARG 20 6.877 -19.270 6.491 172 HH22 ARG 20 2HH2 ARG 20 8.061 -18.023 6.290 173 H MET 21 H MET 21 2.551 -12.029 5.235 174 HA MET 21 HA MET 21 1.476 -13.916 3.245 175 HB2 MET 21 2HB MET 21 0.318 -11.981 2.191 176 HB3 MET 21 3HB MET 21 -0.287 -12.368 3.796 177 HG2 MET 21 2HG MET 21 -0.144 -10.118 3.994 178 HG3 MET 21 3HG MET 21 1.483 -10.548 4.514 179 HE1 MET 21 1HE MET 21 -0.613 -9.378 1.251 180 HE2 MET 21 2HE MET 21 -0.528 -8.284 2.631 181 HE3 MET 21 3HE MET 21 0.299 -7.873 1.127 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -1.180 -0.227 1.266 2 HA2 GLY 1 2HA GLY 1 0.345 -1.881 0.680 3 HA3 GLY 1 3HA GLY 1 -1.056 -2.890 1.011 4 H SER 2 H SER 2 1.162 -1.856 -1.331 5 HA SER 2 HA SER 2 -0.499 -2.735 -3.568 6 HB2 SER 2 2HB SER 2 2.073 -2.103 -4.510 7 HB3 SER 2 3HB SER 2 0.623 -1.106 -4.624 8 HG SER 2 HG SER 2 1.329 0.119 -3.047 9 H LYS 3 H LYS 3 2.892 -3.301 -2.615 10 HA LYS 3 HA LYS 3 2.517 -6.139 -3.304 11 HB2 LYS 3 2HB LYS 3 4.097 -4.342 -4.707 12 HB3 LYS 3 3HB LYS 3 5.244 -5.176 -3.667 13 HG2 LYS 3 2HG LYS 3 3.545 -7.139 -4.776 14 HG3 LYS 3 3HG LYS 3 4.043 -6.067 -6.087 15 HD2 LYS 3 2HD LYS 3 6.285 -6.566 -5.818 16 HD3 LYS 3 3HD LYS 3 6.077 -7.067 -4.138 17 HE2 LYS 3 2HE LYS 3 6.161 -9.154 -4.943 18 HE3 LYS 3 3HE LYS 3 4.507 -8.862 -5.479 19 HZ1 LYS 3 1HZ LYS 3 5.820 -7.838 -7.522 20 HZ2 LYS 3 2HZ LYS 3 5.406 -9.476 -7.444 21 HZ3 LYS 3 3HZ LYS 3 6.970 -8.979 -7.033 22 H LYS 4 H LYS 4 4.208 -7.559 -2.319 23 HA LYS 4 HA LYS 4 5.137 -6.512 0.271 24 HB2 LYS 4 2HB LYS 4 3.971 -9.265 -0.172 25 HB3 LYS 4 3HB LYS 4 4.509 -8.585 1.358 26 HG2 LYS 4 2HG LYS 4 2.442 -7.885 1.712 27 HG3 LYS 4 3HG LYS 4 2.619 -6.783 0.344 28 HD2 LYS 4 2HD LYS 4 1.996 -8.839 -1.093 29 HD3 LYS 4 3HD LYS 4 1.399 -9.521 0.422 30 HE2 LYS 4 2HE LYS 4 -0.495 -8.505 -0.411 31 HE3 LYS 4 3HE LYS 4 0.154 -7.243 0.636 32 HZ1 LYS 4 1HZ LYS 4 0.008 -7.349 -2.278 33 HZ2 LYS 4 2HZ LYS 4 1.361 -6.591 -1.603 34 HZ3 LYS 4 3HZ LYS 4 -0.193 -6.034 -1.232 35 HA PRO 5 HA PRO 5 8.672 -8.402 -2.024 36 HB2 PRO 5 2HB PRO 5 10.456 -6.495 -1.281 37 HB3 PRO 5 3HB PRO 5 9.397 -6.325 -2.686 38 HG2 PRO 5 2HG PRO 5 9.087 -5.194 0.069 39 HG3 PRO 5 3HG PRO 5 8.807 -4.414 -1.499 40 HD2 PRO 5 2HD PRO 5 6.791 -5.390 0.023 41 HD3 PRO 5 3HD PRO 5 6.730 -5.381 -1.752 42 H VAL 6 H VAL 6 7.844 -7.780 1.190 43 HA VAL 6 HA VAL 6 10.070 -9.462 2.127 44 HB VAL 6 HB VAL 6 8.908 -7.110 3.626 45 HG11 VAL 6 1HG1 VAL 6 9.573 -9.010 5.059 46 HG12 VAL 6 2HG1 VAL 6 11.197 -8.927 4.372 47 HG13 VAL 6 3HG1 VAL 6 10.568 -7.577 5.317 48 HG21 VAL 6 1HG2 VAL 6 10.976 -5.990 3.264 49 HG22 VAL 6 2HG2 VAL 6 11.699 -7.425 2.538 50 HG23 VAL 6 3HG2 VAL 6 10.415 -6.560 1.693 51 HA PRO 7 HA PRO 7 6.777 -11.973 3.682 52 HB2 PRO 7 2HB PRO 7 8.289 -13.601 5.244 53 HB3 PRO 7 3HB PRO 7 8.243 -13.732 3.482 54 HG2 PRO 7 2HG PRO 7 10.278 -12.405 5.230 55 HG3 PRO 7 3HG PRO 7 10.526 -13.433 3.807 56 HD2 PRO 7 2HD PRO 7 10.683 -10.732 3.698 57 HD3 PRO 7 3HD PRO 7 10.107 -11.711 2.334 58 H ILE 8 H ILE 8 7.416 -9.407 5.030 59 HA ILE 8 HA ILE 8 7.655 -9.735 7.807 60 HB ILE 8 HB ILE 8 6.395 -7.469 7.850 61 HG12 ILE 8 2HG1 ILE 8 6.281 -6.284 5.753 62 HG13 ILE 8 3HG1 ILE 8 7.038 -7.625 4.900 63 HG21 ILE 8 1HG2 ILE 8 8.547 -6.980 8.182 64 HG22 ILE 8 2HG2 ILE 8 9.087 -8.194 7.024 65 HG23 ILE 8 3HG2 ILE 8 8.604 -6.594 6.462 66 HD11 ILE 8 1HD1 ILE 8 4.392 -7.876 6.292 67 HD12 ILE 8 2HD1 ILE 8 4.553 -7.375 4.609 68 HD13 ILE 8 3HD1 ILE 8 5.115 -8.968 5.112 69 H ILE 9 H ILE 9 5.826 -8.949 9.325 70 HA ILE 9 HA ILE 9 3.561 -10.727 8.878 71 HB ILE 9 HB ILE 9 4.549 -10.962 11.030 72 HG12 ILE 9 2HG1 ILE 9 2.674 -10.358 12.532 73 HG13 ILE 9 3HG1 ILE 9 2.014 -9.325 11.269 74 HG21 ILE 9 1HG2 ILE 9 5.774 -8.951 11.275 75 HG22 ILE 9 2HG2 ILE 9 4.310 -7.970 11.215 76 HG23 ILE 9 3HG2 ILE 9 4.626 -8.997 12.613 77 HD11 ILE 9 1HD1 ILE 9 0.950 -11.042 10.379 78 HD12 ILE 9 2HD1 ILE 9 2.457 -11.944 10.221 79 HD13 ILE 9 3HD1 ILE 9 1.520 -12.047 11.711 80 H TYR 10 H TYR 10 1.448 -10.087 8.757 81 HA TYR 10 HA TYR 10 0.884 -7.206 8.855 82 HB2 TYR 10 2HB TYR 10 -0.106 -7.138 6.766 83 HB3 TYR 10 3HB TYR 10 1.215 -8.263 6.475 84 HD1 TYR 10 HD1 TYR 10 0.730 -10.731 6.448 85 HD2 TYR 10 HD2 TYR 10 -2.358 -7.804 6.496 86 HE1 TYR 10 HE1 TYR 10 -0.876 -12.421 5.664 87 HE2 TYR 10 HE2 TYR 10 -3.973 -9.486 5.713 88 HH TYR 10 HH TYR 10 -4.303 -11.765 5.506 89 H CYS 11 H CYS 11 -0.954 -6.684 9.880 90 HA CYS 11 HA CYS 11 -2.589 -8.872 10.921 91 HB2 CYS 11 2HB CYS 11 -2.306 -5.969 11.692 92 HB3 CYS 11 3HB CYS 11 -3.561 -7.006 12.362 93 H ASN 12 H ASN 12 -4.362 -9.411 9.850 94 HA ASN 12 HA ASN 12 -5.658 -7.453 8.112 95 HB2 ASN 12 2HB ASN 12 -5.100 -10.134 7.778 96 HB3 ASN 12 3HB ASN 12 -6.814 -10.142 8.184 97 HD21 ASN 12 1HD2 ASN 12 -7.539 -10.709 6.184 98 HD22 ASN 12 2HD2 ASN 12 -7.420 -9.681 4.801 99 H ARG 13 H ARG 13 -6.823 -6.155 9.488 100 HA ARG 13 HA ARG 13 -8.270 -6.861 11.719 101 HB2 ARG 13 2HB ARG 13 -8.939 -4.716 11.697 102 HB3 ARG 13 3HB ARG 13 -7.904 -4.554 10.285 103 HG2 ARG 13 2HG ARG 13 -9.847 -5.046 8.846 104 HG3 ARG 13 3HG ARG 13 -10.865 -5.097 10.287 105 HD2 ARG 13 2HD ARG 13 -9.166 -2.699 9.761 106 HD3 ARG 13 3HD ARG 13 -10.677 -2.905 8.876 107 HE ARG 13 HE ARG 13 -10.392 -2.105 11.585 108 HH11 ARG 13 1HH1 ARG 13 -12.428 -3.939 9.438 109 HH12 ARG 13 2HH1 ARG 13 -13.858 -3.712 10.389 110 HH21 ARG 13 1HH2 ARG 13 -12.268 -1.799 12.846 111 HH22 ARG 13 2HH2 ARG 13 -13.766 -2.493 12.326 112 H ARG 14 H ARG 14 -9.109 -7.263 8.351 113 HA ARG 14 HA ARG 14 -11.847 -7.677 8.529 114 HB2 ARG 14 2HB ARG 14 -9.820 -8.987 6.710 115 HB3 ARG 14 3HB ARG 14 -11.562 -9.107 6.494 116 HG2 ARG 14 2HG ARG 14 -9.929 -6.579 6.410 117 HG3 ARG 14 3HG ARG 14 -10.628 -7.423 5.027 118 HD2 ARG 14 2HD ARG 14 -12.844 -7.111 6.467 119 HD3 ARG 14 3HD ARG 14 -11.931 -5.739 7.092 120 HE ARG 14 HE ARG 14 -13.162 -5.943 4.538 121 HH11 ARG 14 1HH1 ARG 14 -10.403 -4.615 6.194 122 HH12 ARG 14 2HH1 ARG 14 -10.191 -3.313 5.070 123 HH21 ARG 14 1HH2 ARG 14 -12.894 -4.234 3.052 124 HH22 ARG 14 2HH2 ARG 14 -11.609 -3.097 3.284 125 H THR 15 H THR 15 -9.191 -9.965 9.025 126 HA THR 15 HA THR 15 -11.142 -11.952 9.979 127 HB THR 15 HB THR 15 -9.911 -13.582 9.061 128 HG1 THR 15 HG1 THR 15 -7.753 -13.843 9.519 129 HG21 THR 15 1HG2 THR 15 -9.898 -11.975 7.222 130 HG22 THR 15 2HG2 THR 15 -8.416 -12.931 7.223 131 HG23 THR 15 3HG2 THR 15 -8.398 -11.276 7.830 132 H GLY 16 H GLY 16 -9.433 -9.571 11.251 133 HA2 GLY 16 2HA GLY 16 -8.410 -9.153 13.271 134 HA3 GLY 16 3HA GLY 16 -9.555 -10.339 13.878 135 H LYS 17 H LYS 17 -6.782 -10.745 11.699 136 HA LYS 17 HA LYS 17 -5.242 -12.083 13.745 137 HB2 LYS 17 2HB LYS 17 -6.437 -13.582 11.418 138 HB3 LYS 17 3HB LYS 17 -5.018 -14.160 12.281 139 HG2 LYS 17 2HG LYS 17 -6.346 -14.157 14.372 140 HG3 LYS 17 3HG LYS 17 -7.767 -13.711 13.424 141 HD2 LYS 17 2HD LYS 17 -6.126 -16.156 12.811 142 HD3 LYS 17 3HD LYS 17 -7.468 -16.182 13.958 143 HE2 LYS 17 2HE LYS 17 -7.754 -15.186 11.133 144 HE3 LYS 17 3HE LYS 17 -7.996 -16.875 11.576 145 HZ1 LYS 17 1HZ LYS 17 -10.066 -16.342 12.100 146 HZ2 LYS 17 2HZ LYS 17 -9.777 -14.695 11.850 147 HZ3 LYS 17 3HZ LYS 17 -9.483 -15.384 13.367 148 H CYS 18 H CYS 18 -3.080 -12.095 13.306 149 HA CYS 18 HA CYS 18 -2.262 -10.669 10.888 150 HB2 CYS 18 2HB CYS 18 -0.508 -11.415 13.228 151 HB3 CYS 18 3HB CYS 18 -0.225 -10.169 12.016 152 H GLN 19 H GLN 19 -1.087 -11.565 9.294 153 HA GLN 19 HA GLN 19 0.073 -14.226 9.720 154 HB2 GLN 19 2HB GLN 19 -0.815 -14.297 7.095 155 HB3 GLN 19 3HB GLN 19 -1.531 -15.143 8.460 156 HG2 GLN 19 2HG GLN 19 -2.373 -12.346 8.108 157 HG3 GLN 19 3HG GLN 19 -2.879 -13.469 6.847 158 HE21 GLN 19 1HE2 GLN 19 -2.370 -14.487 10.128 159 HE22 GLN 19 2HE2 GLN 19 -4.031 -14.760 10.517 160 H ARG 20 H ARG 20 1.239 -14.794 7.442 161 HA ARG 20 HA ARG 20 2.977 -12.479 6.902 162 HB2 ARG 20 2HB ARG 20 4.726 -14.131 6.337 163 HB3 ARG 20 3HB ARG 20 4.168 -14.283 7.998 164 HG2 ARG 20 2HG ARG 20 3.954 -16.453 7.575 165 HG3 ARG 20 3HG ARG 20 2.530 -16.018 6.628 166 HD2 ARG 20 2HD ARG 20 3.716 -17.232 5.084 167 HD3 ARG 20 3HD ARG 20 4.296 -15.604 4.738 168 HE ARG 20 HE ARG 20 6.017 -16.669 6.624 169 HH11 ARG 20 1HH1 ARG 20 5.019 -17.382 3.366 170 HH12 ARG 20 2HH1 ARG 20 6.530 -18.105 2.922 171 HH21 ARG 20 1HH2 ARG 20 8.011 -17.617 6.052 172 HH22 ARG 20 2HH2 ARG 20 8.231 -18.239 4.451 173 H MET 21 H MET 21 2.907 -11.646 4.927 174 HA MET 21 HA MET 21 1.882 -13.328 2.735 175 HB2 MET 21 2HB MET 21 1.279 -11.066 1.686 176 HB3 MET 21 3HB MET 21 0.290 -11.629 3.026 177 HG2 MET 21 2HG MET 21 1.608 -10.195 4.548 178 HG3 MET 21 3HG MET 21 2.485 -9.576 3.150 179 HE1 MET 21 1HE MET 21 1.966 -7.563 4.388 180 HE2 MET 21 2HE MET 21 1.281 -6.605 3.075 181 HE3 MET 21 3HE MET 21 0.391 -6.794 4.586 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -4.085 -9.123 -0.213 2 HA2 GLY 1 2HA GLY 1 -2.006 -9.356 -1.763 3 HA3 GLY 1 3HA GLY 1 -3.595 -9.373 -2.514 4 H SER 2 H SER 2 -1.046 -7.124 -1.469 5 HA SER 2 HA SER 2 -1.684 -5.477 -3.829 6 HB2 SER 2 2HB SER 2 -1.235 -4.722 -1.000 7 HB3 SER 2 3HB SER 2 -0.469 -3.689 -2.206 8 HG SER 2 HG SER 2 -2.625 -3.640 -3.217 9 H LYS 3 H LYS 3 0.968 -5.676 -1.456 10 HA LYS 3 HA LYS 3 2.834 -6.210 -3.655 11 HB2 LYS 3 2HB LYS 3 2.599 -3.714 -2.413 12 HB3 LYS 3 3HB LYS 3 4.018 -4.451 -1.680 13 HG2 LYS 3 2HG LYS 3 4.847 -3.265 -3.507 14 HG3 LYS 3 3HG LYS 3 4.785 -4.939 -4.062 15 HD2 LYS 3 2HD LYS 3 3.689 -4.111 -5.834 16 HD3 LYS 3 3HD LYS 3 2.303 -4.013 -4.746 17 HE2 LYS 3 2HE LYS 3 3.168 -1.699 -4.122 18 HE3 LYS 3 3HE LYS 3 4.230 -1.840 -5.522 19 HZ1 LYS 3 1HZ LYS 3 1.924 -2.469 -6.641 20 HZ2 LYS 3 2HZ LYS 3 2.471 -0.873 -6.526 21 HZ3 LYS 3 3HZ LYS 3 1.344 -1.463 -5.410 22 H LYS 4 H LYS 4 4.928 -7.029 -2.918 23 HA LYS 4 HA LYS 4 4.709 -8.415 -0.325 24 HB2 LYS 4 2HB LYS 4 6.195 -10.166 -1.395 25 HB3 LYS 4 3HB LYS 4 4.548 -10.080 -2.006 26 HG2 LYS 4 2HG LYS 4 5.194 -9.284 -4.045 27 HG3 LYS 4 3HG LYS 4 6.648 -8.513 -3.407 28 HD2 LYS 4 2HD LYS 4 7.838 -10.521 -3.364 29 HD3 LYS 4 3HD LYS 4 6.371 -11.499 -3.439 30 HE2 LYS 4 2HE LYS 4 6.050 -11.034 -5.720 31 HE3 LYS 4 3HE LYS 4 7.183 -9.683 -5.689 32 HZ1 LYS 4 1HZ LYS 4 8.205 -11.547 -6.759 33 HZ2 LYS 4 2HZ LYS 4 7.857 -12.565 -5.453 34 HZ3 LYS 4 3HZ LYS 4 8.972 -11.306 -5.270 35 HA PRO 5 HA PRO 5 8.399 -5.645 -0.102 36 HB2 PRO 5 2HB PRO 5 7.987 -4.946 2.489 37 HB3 PRO 5 3HB PRO 5 7.215 -4.113 1.135 38 HG2 PRO 5 2HG PRO 5 6.105 -6.229 2.938 39 HG3 PRO 5 3HG PRO 5 5.335 -4.745 2.348 40 HD2 PRO 5 2HD PRO 5 4.847 -7.174 1.255 41 HD3 PRO 5 3HD PRO 5 4.820 -5.676 0.303 42 H VAL 6 H VAL 6 7.792 -6.740 3.150 43 HA VAL 6 HA VAL 6 10.028 -8.647 2.910 44 HB VAL 6 HB VAL 6 9.991 -7.906 5.573 45 HG11 VAL 6 1HG1 VAL 6 12.123 -8.017 4.926 46 HG12 VAL 6 2HG1 VAL 6 11.720 -7.615 3.256 47 HG13 VAL 6 3HG1 VAL 6 11.954 -6.330 4.441 48 HG21 VAL 6 1HG2 VAL 6 8.477 -6.038 4.994 49 HG22 VAL 6 2HG2 VAL 6 10.026 -5.492 5.637 50 HG23 VAL 6 3HG2 VAL 6 9.713 -5.409 3.904 51 HA PRO 7 HA PRO 7 7.498 -11.752 4.704 52 HB2 PRO 7 2HB PRO 7 9.285 -13.119 6.223 53 HB3 PRO 7 3HB PRO 7 9.273 -13.190 4.457 54 HG2 PRO 7 2HG PRO 7 11.011 -11.567 6.275 55 HG3 PRO 7 3HG PRO 7 11.456 -12.475 4.818 56 HD2 PRO 7 2HD PRO 7 11.096 -9.791 4.809 57 HD3 PRO 7 3HD PRO 7 10.722 -10.810 3.404 58 H ILE 8 H ILE 8 7.571 -9.177 6.135 59 HA ILE 8 HA ILE 8 7.753 -9.754 8.940 60 HB ILE 8 HB ILE 8 7.246 -7.530 9.333 61 HG12 ILE 8 2HG1 ILE 8 5.054 -7.463 8.297 62 HG13 ILE 8 3HG1 ILE 8 6.002 -6.092 7.732 63 HG21 ILE 8 1HG2 ILE 8 8.296 -7.427 6.510 64 HG22 ILE 8 2HG2 ILE 8 8.526 -6.226 7.781 65 HG23 ILE 8 3HG2 ILE 8 9.276 -7.816 7.924 66 HD11 ILE 8 1HD1 ILE 8 4.728 -7.099 5.927 67 HD12 ILE 8 2HD1 ILE 8 6.461 -7.269 5.649 68 HD13 ILE 8 3HD1 ILE 8 5.520 -8.647 6.218 69 H ILE 9 H ILE 9 5.774 -9.034 10.330 70 HA ILE 9 HA ILE 9 3.557 -10.744 9.515 71 HB ILE 9 HB ILE 9 4.321 -11.167 11.730 72 HG12 ILE 9 2HG1 ILE 9 2.306 -10.659 13.078 73 HG13 ILE 9 3HG1 ILE 9 1.784 -9.520 11.842 74 HG21 ILE 9 1HG2 ILE 9 4.252 -9.343 13.468 75 HG22 ILE 9 2HG2 ILE 9 5.524 -9.197 12.257 76 HG23 ILE 9 3HG2 ILE 9 4.076 -8.197 12.139 77 HD11 ILE 9 1HD1 ILE 9 2.317 -12.052 10.636 78 HD12 ILE 9 2HD1 ILE 9 1.231 -12.261 12.010 79 HD13 ILE 9 3HD1 ILE 9 0.807 -11.145 10.712 80 H TYR 10 H TYR 10 1.471 -10.065 9.236 81 HA TYR 10 HA TYR 10 0.920 -7.193 9.509 82 HB2 TYR 10 2HB TYR 10 0.133 -6.950 7.345 83 HB3 TYR 10 3HB TYR 10 1.484 -8.051 7.098 84 HD1 TYR 10 HD1 TYR 10 1.024 -10.500 6.802 85 HD2 TYR 10 HD2 TYR 10 -2.083 -7.593 6.816 86 HE1 TYR 10 HE1 TYR 10 -0.484 -12.117 5.725 87 HE2 TYR 10 HE2 TYR 10 -3.601 -9.202 5.740 88 HH TYR 10 HH TYR 10 -2.752 -11.740 4.136 89 H CYS 11 H CYS 11 -1.005 -6.728 10.390 90 HA CYS 11 HA CYS 11 -2.756 -8.967 11.072 91 HB2 CYS 11 2HB CYS 11 -2.514 -6.151 12.127 92 HB3 CYS 11 3HB CYS 11 -3.843 -7.216 12.575 93 H ASN 12 H ASN 12 -4.401 -9.376 9.762 94 HA ASN 12 HA ASN 12 -5.493 -7.253 8.087 95 HB2 ASN 12 2HB ASN 12 -4.934 -9.862 7.539 96 HB3 ASN 12 3HB ASN 12 -6.656 -9.957 7.896 97 HD21 ASN 12 1HD2 ASN 12 -5.588 -10.507 5.394 98 HD22 ASN 12 2HD2 ASN 12 -6.137 -9.307 4.278 99 H ARG 13 H ARG 13 -6.745 -6.025 9.459 100 HA ARG 13 HA ARG 13 -8.422 -6.850 11.475 101 HB2 ARG 13 2HB ARG 13 -8.997 -4.684 11.565 102 HB3 ARG 13 3HB ARG 13 -7.871 -4.454 10.234 103 HG2 ARG 13 2HG ARG 13 -9.728 -4.776 8.645 104 HG3 ARG 13 3HG ARG 13 -10.838 -4.912 10.010 105 HD2 ARG 13 2HD ARG 13 -10.914 -2.666 9.134 106 HD3 ARG 13 3HD ARG 13 -10.170 -2.647 10.733 107 HE ARG 13 HE ARG 13 -8.230 -2.840 8.651 108 HH11 ARG 13 1HH1 ARG 13 -10.297 -0.621 10.361 109 HH12 ARG 13 2HH1 ARG 13 -9.288 0.755 10.058 110 HH21 ARG 13 1HH2 ARG 13 -6.895 -1.036 8.245 111 HH22 ARG 13 2HH2 ARG 13 -7.354 0.518 8.854 112 H ARG 14 H ARG 14 -8.945 -6.958 8.020 113 HA ARG 14 HA ARG 14 -11.700 -7.306 7.920 114 HB2 ARG 14 2HB ARG 14 -9.548 -8.510 6.172 115 HB3 ARG 14 3HB ARG 14 -11.265 -8.549 5.794 116 HG2 ARG 14 2HG ARG 14 -9.552 -6.089 6.077 117 HG3 ARG 14 3HG ARG 14 -10.175 -6.774 4.574 118 HD2 ARG 14 2HD ARG 14 -11.789 -5.604 6.836 119 HD3 ARG 14 3HD ARG 14 -11.539 -4.894 5.242 120 HE ARG 14 HE ARG 14 -12.678 -7.434 4.924 121 HH11 ARG 14 1HH1 ARG 14 -13.501 -4.277 6.140 122 HH12 ARG 14 2HH1 ARG 14 -15.190 -4.439 5.790 123 HH21 ARG 14 1HH2 ARG 14 -14.900 -7.658 4.458 124 HH22 ARG 14 2HH2 ARG 14 -15.985 -6.363 4.834 125 H THR 15 H THR 15 -9.141 -9.697 8.439 126 HA THR 15 HA THR 15 -11.203 -11.713 9.023 127 HB THR 15 HB THR 15 -9.908 -13.286 8.091 128 HG1 THR 15 HG1 THR 15 -8.412 -13.563 9.644 129 HG21 THR 15 1HG2 THR 15 -8.252 -10.915 7.214 130 HG22 THR 15 2HG2 THR 15 -9.701 -11.522 6.411 131 HG23 THR 15 3HG2 THR 15 -8.242 -12.511 6.463 132 H GLY 16 H GLY 16 -9.595 -9.492 10.664 133 HA2 GLY 16 2HA GLY 16 -8.763 -9.279 12.801 134 HA3 GLY 16 3HA GLY 16 -9.989 -10.478 13.187 135 H LYS 17 H LYS 17 -7.009 -10.763 11.274 136 HA LYS 17 HA LYS 17 -5.722 -12.329 13.333 137 HB2 LYS 17 2HB LYS 17 -6.692 -13.572 10.763 138 HB3 LYS 17 3HB LYS 17 -5.383 -14.268 11.710 139 HG2 LYS 17 2HG LYS 17 -6.927 -14.415 13.644 140 HG3 LYS 17 3HG LYS 17 -8.230 -13.851 12.595 141 HD2 LYS 17 2HD LYS 17 -8.196 -15.796 11.307 142 HD3 LYS 17 3HD LYS 17 -6.577 -16.240 11.853 143 HE2 LYS 17 2HE LYS 17 -8.274 -17.673 12.863 144 HE3 LYS 17 3HE LYS 17 -7.451 -16.704 14.084 145 HZ1 LYS 17 1HZ LYS 17 -9.973 -16.882 14.211 146 HZ2 LYS 17 2HZ LYS 17 -10.007 -15.824 12.892 147 HZ3 LYS 17 3HZ LYS 17 -9.298 -15.336 14.348 148 H CYS 18 H CYS 18 -3.522 -12.389 13.108 149 HA CYS 18 HA CYS 18 -2.426 -10.757 10.944 150 HB2 CYS 18 2HB CYS 18 -0.959 -11.782 13.375 151 HB3 CYS 18 3HB CYS 18 -0.495 -10.455 12.315 152 H GLN 19 H GLN 19 -1.094 -11.525 9.404 153 HA GLN 19 HA GLN 19 -0.045 -14.251 9.675 154 HB2 GLN 19 2HB GLN 19 -0.680 -14.021 6.975 155 HB3 GLN 19 3HB GLN 19 -1.508 -15.012 8.168 156 HG2 GLN 19 2HG GLN 19 -2.259 -12.144 7.844 157 HG3 GLN 19 3HG GLN 19 -2.847 -13.346 6.696 158 HE21 GLN 19 1HE2 GLN 19 -4.909 -12.497 7.641 159 HE22 GLN 19 2HE2 GLN 19 -5.530 -13.308 9.034 160 H ARG 20 H ARG 20 1.323 -14.631 7.467 161 HA ARG 20 HA ARG 20 3.185 -12.355 7.372 162 HB2 ARG 20 2HB ARG 20 4.883 -14.032 6.673 163 HB3 ARG 20 3HB ARG 20 4.219 -14.338 8.272 164 HG2 ARG 20 2HG ARG 20 3.712 -16.396 7.649 165 HG3 ARG 20 3HG ARG 20 2.616 -15.747 6.427 166 HD2 ARG 20 2HD ARG 20 4.778 -15.438 5.025 167 HD3 ARG 20 3HD ARG 20 5.470 -16.604 6.152 168 HE ARG 20 HE ARG 20 3.000 -17.524 5.081 169 HH11 ARG 20 1HH1 ARG 20 6.383 -17.143 4.353 170 HH12 ARG 20 2HH1 ARG 20 6.418 -18.446 3.210 171 HH21 ARG 20 1HH2 ARG 20 3.033 -19.241 3.579 172 HH22 ARG 20 2HH2 ARG 20 4.511 -19.638 2.770 173 H MET 21 H MET 21 3.332 -11.248 5.541 174 HA MET 21 HA MET 21 2.609 -12.586 3.021 175 HB2 MET 21 2HB MET 21 1.649 -10.423 2.251 176 HB3 MET 21 3HB MET 21 0.769 -11.140 3.594 177 HG2 MET 21 2HG MET 21 0.862 -9.000 4.323 178 HG3 MET 21 3HG MET 21 2.373 -9.595 5.007 179 HE1 MET 21 1HE MET 21 1.568 -6.218 2.365 180 HE2 MET 21 2HE MET 21 1.396 -7.609 1.295 181 HE3 MET 21 3HE MET 21 0.477 -7.535 2.799 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -3.724 -5.956 -1.316 2 HA2 GLY 1 2HA GLY 1 -1.627 -5.057 -1.570 3 HA3 GLY 1 3HA GLY 1 -1.040 -6.713 -1.522 4 H SER 2 H SER 2 0.435 -5.200 -3.029 5 HA SER 2 HA SER 2 -0.399 -5.836 -5.780 6 HB2 SER 2 2HB SER 2 1.414 -3.570 -5.656 7 HB3 SER 2 3HB SER 2 -0.149 -3.711 -6.462 8 HG SER 2 HG SER 2 0.360 -2.279 -4.372 9 H LYS 3 H LYS 3 2.346 -5.100 -3.652 10 HA LYS 3 HA LYS 3 3.963 -6.984 -5.237 11 HB2 LYS 3 2HB LYS 3 4.454 -4.198 -4.688 12 HB3 LYS 3 3HB LYS 3 5.725 -5.184 -3.978 13 HG2 LYS 3 2HG LYS 3 6.684 -5.354 -5.961 14 HG3 LYS 3 3HG LYS 3 5.251 -6.180 -6.577 15 HD2 LYS 3 2HD LYS 3 4.237 -3.949 -7.025 16 HD3 LYS 3 3HD LYS 3 5.768 -3.207 -6.553 17 HE2 LYS 3 2HE LYS 3 6.734 -3.700 -8.511 18 HE3 LYS 3 3HE LYS 3 6.071 -5.333 -8.529 19 HZ1 LYS 3 1HZ LYS 3 5.226 -4.042 -10.373 20 HZ2 LYS 3 2HZ LYS 3 4.629 -2.860 -9.321 21 HZ3 LYS 3 3HZ LYS 3 3.965 -4.416 -9.309 22 H LYS 4 H LYS 4 5.893 -7.792 -3.968 23 HA LYS 4 HA LYS 4 5.104 -8.245 -1.164 24 HB2 LYS 4 2HB LYS 4 6.410 -10.414 -1.417 25 HB3 LYS 4 3HB LYS 4 4.877 -10.319 -2.274 26 HG2 LYS 4 2HG LYS 4 5.851 -10.403 -4.306 27 HG3 LYS 4 3HG LYS 4 7.260 -9.474 -3.791 28 HD2 LYS 4 2HD LYS 4 7.255 -11.966 -2.407 29 HD3 LYS 4 3HD LYS 4 7.027 -12.278 -4.130 30 HE2 LYS 4 2HE LYS 4 9.182 -10.470 -3.058 31 HE3 LYS 4 3HE LYS 4 9.421 -12.198 -3.314 32 HZ1 LYS 4 1HZ LYS 4 9.213 -10.047 -5.254 33 HZ2 LYS 4 2HZ LYS 4 8.427 -11.485 -5.673 34 HZ3 LYS 4 3HZ LYS 4 10.084 -11.496 -5.331 35 HA PRO 5 HA PRO 5 9.162 -6.040 -1.079 36 HB2 PRO 5 2HB PRO 5 8.539 -4.525 1.087 37 HB3 PRO 5 3HB PRO 5 8.113 -4.061 -0.565 38 HG2 PRO 5 2HG PRO 5 6.417 -5.354 1.536 39 HG3 PRO 5 3HG PRO 5 6.006 -4.040 0.419 40 HD2 PRO 5 2HD PRO 5 5.247 -6.605 -0.005 41 HD3 PRO 5 3HD PRO 5 5.612 -5.485 -1.333 42 H VAL 6 H VAL 6 7.944 -5.986 2.185 43 HA VAL 6 HA VAL 6 10.010 -7.937 2.946 44 HB VAL 6 HB VAL 6 8.649 -5.854 4.661 45 HG11 VAL 6 1HG1 VAL 6 9.356 -7.881 5.882 46 HG12 VAL 6 2HG1 VAL 6 11.002 -7.632 5.295 47 HG13 VAL 6 3HG1 VAL 6 10.256 -6.444 6.365 48 HG21 VAL 6 1HG2 VAL 6 11.284 -5.907 3.230 49 HG22 VAL 6 2HG2 VAL 6 10.048 -4.649 3.230 50 HG23 VAL 6 3HG2 VAL 6 11.039 -4.911 4.665 51 HA PRO 7 HA PRO 7 6.800 -10.789 4.008 52 HB2 PRO 7 2HB PRO 7 8.330 -12.520 5.433 53 HB3 PRO 7 3HB PRO 7 8.371 -12.430 3.668 54 HG2 PRO 7 2HG PRO 7 10.247 -11.232 5.670 55 HG3 PRO 7 3HG PRO 7 10.617 -12.059 4.146 56 HD2 PRO 7 2HD PRO 7 10.624 -9.361 4.379 57 HD3 PRO 7 3HD PRO 7 10.166 -10.188 2.876 58 H ILE 8 H ILE 8 7.231 -8.383 5.693 59 HA ILE 8 HA ILE 8 7.362 -9.046 8.417 60 HB ILE 8 HB ILE 8 5.976 -6.870 8.674 61 HG12 ILE 8 2HG1 ILE 8 5.894 -5.436 6.736 62 HG13 ILE 8 3HG1 ILE 8 6.766 -6.618 5.766 63 HG21 ILE 8 1HG2 ILE 8 8.308 -5.913 7.347 64 HG22 ILE 8 2HG2 ILE 8 8.001 -6.061 9.077 65 HG23 ILE 8 3HG2 ILE 8 8.706 -7.412 8.188 66 HD11 ILE 8 1HD1 ILE 8 4.914 -8.074 5.707 67 HD12 ILE 8 2HD1 ILE 8 4.073 -7.171 6.969 68 HD13 ILE 8 3HD1 ILE 8 4.289 -6.459 5.370 69 H ILE 9 H ILE 9 5.426 -8.553 9.925 70 HA ILE 9 HA ILE 9 3.282 -10.363 9.137 71 HB ILE 9 HB ILE 9 4.188 -10.839 11.286 72 HG12 ILE 9 2HG1 ILE 9 2.221 -10.527 12.760 73 HG13 ILE 9 3HG1 ILE 9 1.563 -9.368 11.611 74 HG21 ILE 9 1HG2 ILE 9 5.295 -8.830 11.858 75 HG22 ILE 9 2HG2 ILE 9 3.790 -7.912 11.847 76 HG23 ILE 9 3HG2 ILE 9 4.089 -9.100 13.116 77 HD11 ILE 9 1HD1 ILE 9 0.631 -10.999 10.451 78 HD12 ILE 9 2HD1 ILE 9 2.188 -11.803 10.256 79 HD13 ILE 9 3HD1 ILE 9 1.191 -12.143 11.670 80 H TYR 10 H TYR 10 1.145 -9.812 8.998 81 HA TYR 10 HA TYR 10 0.428 -6.998 9.443 82 HB2 TYR 10 2HB TYR 10 -0.491 -6.708 7.338 83 HB3 TYR 10 3HB TYR 10 0.912 -7.704 6.967 84 HD1 TYR 10 HD1 TYR 10 0.594 -10.162 6.573 85 HD2 TYR 10 HD2 TYR 10 -2.687 -7.472 6.893 86 HE1 TYR 10 HE1 TYR 10 -0.865 -11.823 5.496 87 HE2 TYR 10 HE2 TYR 10 -4.156 -9.127 5.818 88 HH TYR 10 HH TYR 10 -4.313 -11.157 4.944 89 H CYS 11 H CYS 11 -1.471 -6.702 10.445 90 HA CYS 11 HA CYS 11 -3.037 -9.082 11.105 91 HB2 CYS 11 2HB CYS 11 -2.908 -6.309 12.285 92 HB3 CYS 11 3HB CYS 11 -4.151 -7.469 12.742 93 H ASN 12 H ASN 12 -4.720 -9.538 9.862 94 HA ASN 12 HA ASN 12 -6.034 -7.419 8.350 95 HB2 ASN 12 2HB ASN 12 -5.380 -10.032 7.729 96 HB3 ASN 12 3HB ASN 12 -7.112 -10.120 8.041 97 HD21 ASN 12 1HD2 ASN 12 -7.782 -10.418 5.980 98 HD22 ASN 12 2HD2 ASN 12 -7.596 -9.243 4.727 99 H ARG 13 H ARG 13 -7.311 -6.330 9.797 100 HA ARG 13 HA ARG 13 -8.830 -7.389 11.858 101 HB2 ARG 13 2HB ARG 13 -8.533 -4.871 10.591 102 HB3 ARG 13 3HB ARG 13 -10.257 -5.205 10.675 103 HG2 ARG 13 2HG ARG 13 -9.629 -5.852 13.167 104 HG3 ARG 13 3HG ARG 13 -8.305 -4.729 12.850 105 HD2 ARG 13 2HD ARG 13 -9.751 -3.127 13.432 106 HD3 ARG 13 3HD ARG 13 -10.472 -3.389 11.844 107 HE ARG 13 HE ARG 13 -11.669 -5.225 13.495 108 HH11 ARG 13 1HH1 ARG 13 -11.339 -1.760 13.424 109 HH12 ARG 13 2HH1 ARG 13 -12.851 -1.469 14.219 110 HH21 ARG 13 1HH2 ARG 13 -13.662 -4.854 14.541 111 HH22 ARG 13 2HH2 ARG 13 -14.171 -3.230 14.854 112 H ARG 14 H ARG 14 -9.387 -7.468 8.450 113 HA ARG 14 HA ARG 14 -12.155 -7.795 8.350 114 HB2 ARG 14 2HB ARG 14 -9.906 -8.742 6.600 115 HB3 ARG 14 3HB ARG 14 -11.563 -9.222 6.259 116 HG2 ARG 14 2HG ARG 14 -11.708 -7.352 5.069 117 HG3 ARG 14 3HG ARG 14 -11.760 -6.500 6.613 118 HD2 ARG 14 2HD ARG 14 -9.296 -6.328 6.560 119 HD3 ARG 14 3HD ARG 14 -9.301 -7.100 4.974 120 HE ARG 14 HE ARG 14 -9.864 -5.089 4.062 121 HH11 ARG 14 1HH1 ARG 14 -10.672 -5.037 7.448 122 HH12 ARG 14 2HH1 ARG 14 -11.130 -3.366 7.447 123 HH21 ARG 14 1HH2 ARG 14 -10.463 -2.888 4.048 124 HH22 ARG 14 2HH2 ARG 14 -11.012 -2.145 5.512 125 H THR 15 H THR 15 -9.590 -10.133 8.973 126 HA THR 15 HA THR 15 -11.659 -12.133 9.617 127 HB THR 15 HB THR 15 -10.446 -13.016 7.787 128 HG1 THR 15 HG1 THR 15 -9.249 -14.759 8.846 129 HG21 THR 15 1HG2 THR 15 -7.890 -12.336 9.248 130 HG22 THR 15 2HG2 THR 15 -8.551 -11.433 7.886 131 HG23 THR 15 3HG2 THR 15 -8.022 -13.100 7.665 132 H GLY 16 H GLY 16 -9.838 -9.991 11.107 133 HA2 GLY 16 2HA GLY 16 -8.825 -9.816 13.165 134 HA3 GLY 16 3HA GLY 16 -9.966 -11.066 13.639 135 H LYS 17 H LYS 17 -7.137 -11.098 11.478 136 HA LYS 17 HA LYS 17 -5.657 -12.771 13.311 137 HB2 LYS 17 2HB LYS 17 -6.740 -13.837 10.708 138 HB3 LYS 17 3HB LYS 17 -5.347 -14.550 11.509 139 HG2 LYS 17 2HG LYS 17 -6.755 -14.930 13.513 140 HG3 LYS 17 3HG LYS 17 -8.144 -14.335 12.601 141 HD2 LYS 17 2HD LYS 17 -6.844 -16.296 11.017 142 HD3 LYS 17 3HD LYS 17 -7.028 -16.955 12.645 143 HE2 LYS 17 2HE LYS 17 -9.352 -15.559 11.428 144 HE3 LYS 17 3HE LYS 17 -8.939 -17.160 10.818 145 HZ1 LYS 17 1HZ LYS 17 -9.997 -16.379 13.415 146 HZ2 LYS 17 2HZ LYS 17 -8.855 -17.626 13.418 147 HZ3 LYS 17 3HZ LYS 17 -10.274 -17.781 12.510 148 H CYS 18 H CYS 18 -3.486 -12.644 12.989 149 HA CYS 18 HA CYS 18 -2.599 -10.838 10.866 150 HB2 CYS 18 2HB CYS 18 -0.956 -11.888 13.171 151 HB3 CYS 18 3HB CYS 18 -0.624 -10.485 12.161 152 H GLN 19 H GLN 19 -1.304 -11.445 9.226 153 HA GLN 19 HA GLN 19 -0.072 -14.105 9.307 154 HB2 GLN 19 2HB GLN 19 -0.865 -13.791 6.657 155 HB3 GLN 19 3HB GLN 19 -1.562 -14.891 7.839 156 HG2 GLN 19 2HG GLN 19 -2.514 -12.068 7.699 157 HG3 GLN 19 3HG GLN 19 -3.083 -13.252 6.523 158 HE21 GLN 19 1HE2 GLN 19 -5.141 -12.585 7.616 159 HE22 GLN 19 2HE2 GLN 19 -5.633 -13.503 8.994 160 H ARG 20 H ARG 20 1.198 -14.290 7.018 161 HA ARG 20 HA ARG 20 2.881 -11.877 6.919 162 HB2 ARG 20 2HB ARG 20 4.685 -13.382 6.136 163 HB3 ARG 20 3HB ARG 20 4.092 -13.805 7.737 164 HG2 ARG 20 2HG ARG 20 2.547 -15.294 5.942 165 HG3 ARG 20 3HG ARG 20 4.208 -15.398 5.356 166 HD2 ARG 20 2HD ARG 20 4.947 -16.484 7.230 167 HD3 ARG 20 3HD ARG 20 3.722 -15.753 8.267 168 HE ARG 20 HE ARG 20 2.516 -17.500 6.397 169 HH11 ARG 20 1HH1 ARG 20 4.425 -17.498 9.308 170 HH12 ARG 20 2HH1 ARG 20 3.836 -19.035 9.851 171 HH21 ARG 20 1HH2 ARG 20 1.733 -19.523 7.101 172 HH22 ARG 20 2HH2 ARG 20 2.305 -20.186 8.594 173 H MET 21 H MET 21 2.871 -10.730 5.105 174 HA MET 21 HA MET 21 1.834 -11.994 2.658 175 HB2 MET 21 2HB MET 21 1.467 -9.566 1.942 176 HB3 MET 21 3HB MET 21 0.411 -10.201 3.196 177 HG2 MET 21 2HG MET 21 1.350 -8.911 4.838 178 HG3 MET 21 3HG MET 21 2.892 -8.771 3.997 179 HE1 MET 21 1HE MET 21 -0.723 -6.066 3.781 180 HE2 MET 21 2HE MET 21 -0.667 -7.708 4.422 181 HE3 MET 21 3HE MET 21 0.240 -6.419 5.216 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -1.249 -10.463 -3.632 2 HA2 GLY 1 2HA GLY 1 -2.860 -8.158 -3.940 3 HA3 GLY 1 3HA GLY 1 -1.275 -8.212 -3.181 4 H SER 2 H SER 2 0.078 -6.819 -4.074 5 HA SER 2 HA SER 2 0.006 -6.481 -7.000 6 HB2 SER 2 2HB SER 2 0.171 -4.424 -4.825 7 HB3 SER 2 3HB SER 2 0.927 -4.103 -6.385 8 HG SER 2 HG SER 2 -1.764 -4.943 -6.138 9 H LYS 3 H LYS 3 2.117 -5.557 -4.276 10 HA LYS 3 HA LYS 3 4.376 -6.738 -5.757 11 HB2 LYS 3 2HB LYS 3 4.010 -4.061 -4.786 12 HB3 LYS 3 3HB LYS 3 5.364 -4.805 -3.944 13 HG2 LYS 3 2HG LYS 3 5.891 -5.522 -6.504 14 HG3 LYS 3 3HG LYS 3 5.111 -3.956 -6.739 15 HD2 LYS 3 2HD LYS 3 7.318 -4.344 -4.737 16 HD3 LYS 3 3HD LYS 3 7.652 -3.982 -6.432 17 HE2 LYS 3 2HE LYS 3 7.227 -1.825 -6.104 18 HE3 LYS 3 3HE LYS 3 5.642 -2.198 -5.429 19 HZ1 LYS 3 1HZ LYS 3 6.865 -2.696 -3.298 20 HZ2 LYS 3 2HZ LYS 3 6.810 -1.068 -3.756 21 HZ3 LYS 3 3HZ LYS 3 8.223 -1.967 -3.997 22 H LYS 4 H LYS 4 6.217 -7.374 -4.346 23 HA LYS 4 HA LYS 4 5.298 -8.273 -1.696 24 HB2 LYS 4 2HB LYS 4 6.805 -10.298 -2.109 25 HB3 LYS 4 3HB LYS 4 5.274 -10.248 -2.973 26 HG2 LYS 4 2HG LYS 4 6.288 -10.296 -4.946 27 HG3 LYS 4 3HG LYS 4 7.392 -8.996 -4.492 28 HD2 LYS 4 2HD LYS 4 8.680 -10.749 -3.180 29 HD3 LYS 4 3HD LYS 4 7.697 -11.953 -4.017 30 HE2 LYS 4 2HE LYS 4 8.717 -11.591 -6.019 31 HE3 LYS 4 3HE LYS 4 9.018 -9.887 -5.681 32 HZ1 LYS 4 1HZ LYS 4 10.873 -10.423 -4.361 33 HZ2 LYS 4 2HZ LYS 4 11.027 -11.370 -5.753 34 HZ3 LYS 4 3HZ LYS 4 10.482 -12.068 -4.312 35 HA PRO 5 HA PRO 5 9.169 -5.800 -1.214 36 HB2 PRO 5 2HB PRO 5 8.349 -4.554 1.054 37 HB3 PRO 5 3HB PRO 5 7.954 -3.962 -0.564 38 HG2 PRO 5 2HG PRO 5 6.281 -5.573 1.325 39 HG3 PRO 5 3HG PRO 5 5.814 -4.190 0.319 40 HD2 PRO 5 2HD PRO 5 5.270 -6.748 -0.381 41 HD3 PRO 5 3HD PRO 5 5.600 -5.480 -1.579 42 H VAL 6 H VAL 6 7.824 -6.154 1.981 43 HA VAL 6 HA VAL 6 9.919 -8.132 2.606 44 HB VAL 6 HB VAL 6 8.694 -6.080 4.455 45 HG11 VAL 6 1HG1 VAL 6 10.326 -6.811 6.079 46 HG12 VAL 6 2HG1 VAL 6 9.355 -8.190 5.560 47 HG13 VAL 6 3HG1 VAL 6 10.991 -7.975 4.934 48 HG21 VAL 6 1HG2 VAL 6 11.268 -6.164 2.924 49 HG22 VAL 6 2HG2 VAL 6 10.096 -4.854 3.057 50 HG23 VAL 6 3HG2 VAL 6 11.135 -5.250 4.426 51 HA PRO 7 HA PRO 7 6.629 -10.904 3.636 52 HB2 PRO 7 2HB PRO 7 8.130 -12.758 4.933 53 HB3 PRO 7 3HB PRO 7 8.123 -12.588 3.174 54 HG2 PRO 7 2HG PRO 7 10.103 -11.557 5.169 55 HG3 PRO 7 3HG PRO 7 10.394 -12.326 3.598 56 HD2 PRO 7 2HD PRO 7 10.517 -9.644 3.953 57 HD3 PRO 7 3HD PRO 7 9.982 -10.383 2.429 58 H ILE 8 H ILE 8 7.206 -8.597 5.414 59 HA ILE 8 HA ILE 8 7.389 -9.392 8.100 60 HB ILE 8 HB ILE 8 6.101 -7.177 8.499 61 HG12 ILE 8 2HG1 ILE 8 6.020 -5.653 6.631 62 HG13 ILE 8 3HG1 ILE 8 6.812 -6.822 5.581 63 HG21 ILE 8 1HG2 ILE 8 8.178 -6.507 8.892 64 HG22 ILE 8 2HG2 ILE 8 8.797 -7.796 7.861 65 HG23 ILE 8 3HG2 ILE 8 8.415 -6.220 7.168 66 HD11 ILE 8 1HD1 ILE 8 4.139 -7.328 6.847 67 HD12 ILE 8 2HD1 ILE 8 4.331 -6.546 5.277 68 HD13 ILE 8 3HD1 ILE 8 4.901 -8.198 5.515 69 H ILE 9 H ILE 9 5.520 -8.894 9.688 70 HA ILE 9 HA ILE 9 3.281 -10.579 8.885 71 HB ILE 9 HB ILE 9 4.230 -11.195 10.979 72 HG12 ILE 9 2HG1 ILE 9 2.323 -10.876 12.527 73 HG13 ILE 9 3HG1 ILE 9 1.679 -9.637 11.455 74 HG21 ILE 9 1HG2 ILE 9 5.435 -9.256 11.604 75 HG22 ILE 9 2HG2 ILE 9 3.966 -8.286 11.694 76 HG23 ILE 9 3HG2 ILE 9 4.264 -9.547 12.890 77 HD11 ILE 9 1HD1 ILE 9 2.162 -12.026 9.967 78 HD12 ILE 9 2HD1 ILE 9 1.195 -12.395 11.395 79 HD13 ILE 9 3HD1 ILE 9 0.647 -11.171 10.250 80 H TYR 10 H TYR 10 1.166 -9.938 8.839 81 HA TYR 10 HA TYR 10 0.578 -7.123 9.439 82 HB2 TYR 10 2HB TYR 10 -0.389 -6.694 7.380 83 HB3 TYR 10 3HB TYR 10 0.959 -7.727 6.918 84 HD1 TYR 10 HD1 TYR 10 -2.628 -7.347 6.972 85 HD2 TYR 10 HD2 TYR 10 0.526 -10.148 6.419 86 HE1 TYR 10 HE1 TYR 10 -4.197 -8.887 5.867 87 HE2 TYR 10 HE2 TYR 10 -1.033 -11.695 5.312 88 HH TYR 10 HH TYR 10 -3.951 -10.827 4.123 89 H CYS 11 H CYS 11 -1.276 -6.801 10.514 90 HA CYS 11 HA CYS 11 -2.917 -9.146 11.112 91 HB2 CYS 11 2HB CYS 11 -2.639 -6.438 12.411 92 HB3 CYS 11 3HB CYS 11 -3.920 -7.563 12.851 93 H ASN 12 H ASN 12 -4.656 -9.480 9.907 94 HA ASN 12 HA ASN 12 -5.924 -7.249 8.525 95 HB2 ASN 12 2HB ASN 12 -5.375 -9.803 7.723 96 HB3 ASN 12 3HB ASN 12 -7.069 -9.941 8.185 97 HD21 ASN 12 1HD2 ASN 12 -6.197 -10.282 5.583 98 HD22 ASN 12 2HD2 ASN 12 -6.812 -8.993 4.610 99 H ARG 13 H ARG 13 -7.106 -6.166 10.056 100 HA ARG 13 HA ARG 13 -8.607 -7.245 12.120 101 HB2 ARG 13 2HB ARG 13 -8.233 -4.691 10.952 102 HB3 ARG 13 3HB ARG 13 -9.968 -4.952 11.074 103 HG2 ARG 13 2HG ARG 13 -9.294 -5.735 13.517 104 HG3 ARG 13 3HG ARG 13 -7.936 -4.652 13.206 105 HD2 ARG 13 2HD ARG 13 -9.243 -2.935 13.733 106 HD3 ARG 13 3HD ARG 13 -10.236 -3.304 12.324 107 HE ARG 13 HE ARG 13 -11.115 -5.003 14.290 108 HH11 ARG 13 1HH1 ARG 13 -10.804 -1.555 13.918 109 HH12 ARG 13 2HH1 ARG 13 -12.148 -1.192 14.950 110 HH21 ARG 13 1HH2 ARG 13 -12.886 -4.537 15.650 111 HH22 ARG 13 2HH2 ARG 13 -13.331 -2.888 15.935 112 H ARG 14 H ARG 14 -9.272 -7.148 8.731 113 HA ARG 14 HA ARG 14 -12.054 -7.352 8.711 114 HB2 ARG 14 2HB ARG 14 -10.008 -8.533 6.826 115 HB3 ARG 14 3HB ARG 14 -11.737 -8.504 6.510 116 HG2 ARG 14 2HG ARG 14 -9.946 -6.109 6.857 117 HG3 ARG 14 3HG ARG 14 -10.634 -6.699 5.343 118 HD2 ARG 14 2HD ARG 14 -12.143 -5.603 7.712 119 HD3 ARG 14 3HD ARG 14 -11.925 -4.822 6.146 120 HE ARG 14 HE ARG 14 -13.133 -7.141 5.491 121 HH11 ARG 14 1HH1 ARG 14 -13.867 -4.666 7.826 122 HH12 ARG 14 2HH1 ARG 14 -15.580 -4.918 7.749 123 HH21 ARG 14 1HH2 ARG 14 -15.386 -7.482 5.380 124 HH22 ARG 14 2HH2 ARG 14 -16.442 -6.521 6.358 125 H THR 15 H THR 15 -9.574 -9.822 9.137 126 HA THR 15 HA THR 15 -11.706 -11.763 9.759 127 HB THR 15 HB THR 15 -10.588 -12.606 7.850 128 HG1 THR 15 HG1 THR 15 -10.423 -14.478 8.806 129 HG21 THR 15 1HG2 THR 15 -8.624 -11.110 7.964 130 HG22 THR 15 2HG2 THR 15 -8.176 -12.785 7.643 131 HG23 THR 15 3HG2 THR 15 -7.962 -12.108 9.257 132 H GLY 16 H GLY 16 -9.748 -9.770 11.284 133 HA2 GLY 16 2HA GLY 16 -8.665 -9.735 13.312 134 HA3 GLY 16 3HA GLY 16 -9.844 -10.957 13.766 135 H LYS 17 H LYS 17 -7.085 -11.002 11.516 136 HA LYS 17 HA LYS 17 -5.625 -12.822 13.221 137 HB2 LYS 17 2HB LYS 17 -6.829 -13.714 10.604 138 HB3 LYS 17 3HB LYS 17 -5.444 -14.522 11.327 139 HG2 LYS 17 2HG LYS 17 -6.807 -14.943 13.352 140 HG3 LYS 17 3HG LYS 17 -8.196 -14.246 12.515 141 HD2 LYS 17 2HD LYS 17 -6.687 -16.428 11.168 142 HD3 LYS 17 3HD LYS 17 -7.740 -16.852 12.519 143 HE2 LYS 17 2HE LYS 17 -9.544 -15.511 11.319 144 HE3 LYS 17 3HE LYS 17 -8.474 -15.534 9.918 145 HZ1 LYS 17 1HZ LYS 17 -8.458 -18.040 10.241 146 HZ2 LYS 17 2HZ LYS 17 -9.878 -17.354 9.629 147 HZ3 LYS 17 3HZ LYS 17 -9.795 -17.816 11.254 148 H CYS 18 H CYS 18 -3.461 -12.771 12.837 149 HA CYS 18 HA CYS 18 -2.560 -10.902 10.775 150 HB2 CYS 18 2HB CYS 18 -0.898 -12.129 12.976 151 HB3 CYS 18 3HB CYS 18 -0.534 -10.694 12.024 152 H GLN 19 H GLN 19 -1.339 -11.480 9.070 153 HA GLN 19 HA GLN 19 -0.219 -14.189 8.986 154 HB2 GLN 19 2HB GLN 19 -1.077 -13.719 6.380 155 HB3 GLN 19 3HB GLN 19 -1.785 -14.844 7.533 156 HG2 GLN 19 2HG GLN 19 -2.620 -11.981 7.553 157 HG3 GLN 19 3HG GLN 19 -3.273 -13.082 6.342 158 HE21 GLN 19 1HE2 GLN 19 -5.267 -12.383 7.530 159 HE22 GLN 19 2HE2 GLN 19 -5.757 -13.345 8.878 160 H ARG 20 H ARG 20 0.974 -14.316 6.652 161 HA ARG 20 HA ARG 20 2.733 -11.955 6.592 162 HB2 ARG 20 2HB ARG 20 3.397 -14.791 5.782 163 HB3 ARG 20 3HB ARG 20 4.512 -13.433 5.839 164 HG2 ARG 20 2HG ARG 20 5.010 -13.970 7.923 165 HG3 ARG 20 3HG ARG 20 3.345 -13.618 8.390 166 HD2 ARG 20 2HD ARG 20 2.984 -16.056 7.368 167 HD3 ARG 20 3HD ARG 20 4.668 -16.216 7.863 168 HE ARG 20 HE ARG 20 3.201 -15.117 9.985 169 HH11 ARG 20 1HH1 ARG 20 3.528 -18.103 8.225 170 HH12 ARG 20 2HH1 ARG 20 3.061 -19.096 9.566 171 HH21 ARG 20 1HH2 ARG 20 2.585 -16.413 11.758 172 HH22 ARG 20 2HH2 ARG 20 2.524 -18.133 11.575 173 H MET 21 H MET 21 2.718 -10.766 4.806 174 HA MET 21 HA MET 21 1.695 -11.983 2.325 175 HB2 MET 21 2HB MET 21 1.161 -9.548 1.715 176 HB3 MET 21 3HB MET 21 0.136 -10.331 2.910 177 HG2 MET 21 2HG MET 21 1.435 -9.240 4.696 178 HG3 MET 21 3HG MET 21 2.382 -8.408 3.465 179 HE1 MET 21 1HE MET 21 1.553 -6.091 2.316 180 HE2 MET 21 2HE MET 21 0.651 -5.191 3.535 181 HE3 MET 21 3HE MET 21 2.072 -6.126 4.002 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -2.763 -8.276 -0.302 2 HA2 GLY 1 2HA GLY 1 -2.404 -5.393 0.110 3 HA3 GLY 1 3HA GLY 1 -1.121 -6.591 0.041 4 H SER 2 H SER 2 -0.615 -4.446 -1.371 5 HA SER 2 HA SER 2 -1.465 -4.965 -4.133 6 HB2 SER 2 2HB SER 2 -0.044 -2.543 -3.002 7 HB3 SER 2 3HB SER 2 -0.677 -2.711 -4.640 8 HG SER 2 HG SER 2 -1.975 -2.070 -2.326 9 H LYS 3 H LYS 3 1.512 -3.840 -2.520 10 HA LYS 3 HA LYS 3 3.087 -5.220 -4.563 11 HB2 LYS 3 2HB LYS 3 3.533 -2.930 -2.745 12 HB3 LYS 3 3HB LYS 3 4.932 -3.956 -3.034 13 HG2 LYS 3 2HG LYS 3 4.269 -3.667 -5.541 14 HG3 LYS 3 3HG LYS 3 3.408 -2.247 -4.941 15 HD2 LYS 3 2HD LYS 3 5.327 -1.137 -4.420 16 HD3 LYS 3 3HD LYS 3 6.207 -2.618 -4.035 17 HE2 LYS 3 2HE LYS 3 6.808 -2.988 -6.215 18 HE3 LYS 3 3HE LYS 3 5.401 -2.144 -6.860 19 HZ1 LYS 3 1HZ LYS 3 8.012 -1.144 -6.324 20 HZ2 LYS 3 2HZ LYS 3 6.837 -0.225 -5.527 21 HZ3 LYS 3 3HZ LYS 3 6.752 -0.435 -7.203 22 H LYS 4 H LYS 4 4.927 -6.520 -3.948 23 HA LYS 4 HA LYS 4 4.534 -7.870 -1.358 24 HB2 LYS 4 2HB LYS 4 5.523 -9.015 -3.975 25 HB3 LYS 4 3HB LYS 4 5.483 -9.893 -2.452 26 HG2 LYS 4 2HG LYS 4 2.901 -8.875 -2.807 27 HG3 LYS 4 3HG LYS 4 3.400 -9.496 -4.382 28 HD2 LYS 4 2HD LYS 4 4.181 -11.572 -3.050 29 HD3 LYS 4 3HD LYS 4 3.135 -10.948 -1.773 30 HE2 LYS 4 2HE LYS 4 1.242 -11.448 -2.902 31 HE3 LYS 4 3HE LYS 4 1.946 -11.053 -4.468 32 HZ1 LYS 4 1HZ LYS 4 1.797 -13.592 -3.103 33 HZ2 LYS 4 2HZ LYS 4 3.311 -13.261 -3.781 34 HZ3 LYS 4 3HZ LYS 4 1.928 -13.258 -4.756 35 HA PRO 5 HA PRO 5 8.726 -5.935 -1.234 36 HB2 PRO 5 2HB PRO 5 8.560 -5.226 1.381 37 HB3 PRO 5 3HB PRO 5 7.932 -4.219 0.072 38 HG2 PRO 5 2HG PRO 5 6.468 -6.100 1.883 39 HG3 PRO 5 3HG PRO 5 6.004 -4.474 1.346 40 HD2 PRO 5 2HD PRO 5 4.982 -6.723 0.236 41 HD3 PRO 5 3HD PRO 5 5.236 -5.230 -0.692 42 H VAL 6 H VAL 6 8.017 -6.955 2.021 43 HA VAL 6 HA VAL 6 9.803 -9.275 1.666 44 HB VAL 6 HB VAL 6 10.028 -8.645 4.330 45 HG11 VAL 6 1HG1 VAL 6 11.962 -7.410 2.443 46 HG12 VAL 6 2HG1 VAL 6 12.250 -8.419 3.861 47 HG13 VAL 6 3HG1 VAL 6 11.710 -9.153 2.351 48 HG21 VAL 6 1HG2 VAL 6 8.823 -6.507 3.850 49 HG22 VAL 6 2HG2 VAL 6 10.430 -6.299 4.546 50 HG23 VAL 6 3HG2 VAL 6 10.177 -6.041 2.820 51 HA PRO 7 HA PRO 7 6.765 -11.853 3.504 52 HB2 PRO 7 2HB PRO 7 8.276 -13.551 4.989 53 HB3 PRO 7 3HB PRO 7 8.224 -13.604 3.222 54 HG2 PRO 7 2HG PRO 7 10.269 -12.361 5.021 55 HG3 PRO 7 3HG PRO 7 10.509 -13.327 3.553 56 HD2 PRO 7 2HD PRO 7 10.674 -10.624 3.562 57 HD3 PRO 7 3HD PRO 7 10.090 -11.540 2.158 58 H ILE 8 H ILE 8 7.416 -9.349 4.961 59 HA ILE 8 HA ILE 8 7.661 -9.801 7.721 60 HB ILE 8 HB ILE 8 6.410 -7.534 7.866 61 HG12 ILE 8 2HG1 ILE 8 6.298 -6.257 5.824 62 HG13 ILE 8 3HG1 ILE 8 7.050 -7.561 4.912 63 HG21 ILE 8 1HG2 ILE 8 8.515 -6.404 6.837 64 HG22 ILE 8 2HG2 ILE 8 8.683 -7.443 8.251 65 HG23 ILE 8 3HG2 ILE 8 9.086 -8.062 6.650 66 HD11 ILE 8 1HD1 ILE 8 5.123 -8.906 5.067 67 HD12 ILE 8 2HD1 ILE 8 4.403 -7.860 6.291 68 HD13 ILE 8 3HD1 ILE 8 4.568 -7.290 4.630 69 H ILE 9 H ILE 9 5.841 -9.077 9.278 70 HA ILE 9 HA ILE 9 3.561 -10.816 8.751 71 HB ILE 9 HB ILE 9 4.557 -11.177 10.881 72 HG12 ILE 9 2HG1 ILE 9 2.696 -10.634 12.425 73 HG13 ILE 9 3HG1 ILE 9 2.039 -9.531 11.220 74 HG21 ILE 9 1HG2 ILE 9 5.803 -9.194 11.226 75 HG22 ILE 9 2HG2 ILE 9 4.349 -8.197 11.230 76 HG23 ILE 9 3HG2 ILE 9 4.663 -9.303 12.567 77 HD11 ILE 9 1HD1 ILE 9 2.452 -12.096 10.036 78 HD12 ILE 9 2HD1 ILE 9 1.519 -12.266 11.523 79 HD13 ILE 9 3HD1 ILE 9 0.956 -11.188 10.246 80 H TYR 10 H TYR 10 1.453 -10.153 8.678 81 HA TYR 10 HA TYR 10 0.916 -7.276 8.929 82 HB2 TYR 10 2HB TYR 10 -0.102 -7.097 6.858 83 HB3 TYR 10 3HB TYR 10 1.220 -8.201 6.497 84 HD1 TYR 10 HD1 TYR 10 -2.360 -7.763 6.598 85 HD2 TYR 10 HD2 TYR 10 0.746 -10.658 6.318 86 HE1 TYR 10 HE1 TYR 10 -3.977 -9.406 5.739 87 HE2 TYR 10 HE2 TYR 10 -0.862 -12.308 5.457 88 HH TYR 10 HH TYR 10 -2.945 -12.644 4.731 89 H CYS 11 H CYS 11 -0.902 -6.792 10.004 90 HA CYS 11 HA CYS 11 -2.554 -9.015 10.938 91 HB2 CYS 11 2HB CYS 11 -2.208 -6.168 11.871 92 HB3 CYS 11 3HB CYS 11 -3.492 -7.206 12.483 93 H ASN 12 H ASN 12 -4.326 -9.475 9.827 94 HA ASN 12 HA ASN 12 -5.608 -7.419 8.206 95 HB2 ASN 12 2HB ASN 12 -5.126 -10.098 7.770 96 HB3 ASN 12 3HB ASN 12 -6.833 -10.080 8.203 97 HD21 ASN 12 1HD2 ASN 12 -7.680 -10.498 6.236 98 HD22 ASN 12 2HD2 ASN 12 -7.527 -9.448 4.872 99 H ARG 13 H ARG 13 -6.748 -6.137 9.605 100 HA ARG 13 HA ARG 13 -8.194 -6.910 11.834 101 HB2 ARG 13 2HB ARG 13 -8.614 -4.720 11.948 102 HB3 ARG 13 3HB ARG 13 -7.794 -4.544 10.402 103 HG2 ARG 13 2HG ARG 13 -9.927 -4.854 9.241 104 HG3 ARG 13 3HG ARG 13 -10.743 -5.009 10.798 105 HD2 ARG 13 2HD ARG 13 -9.094 -2.617 10.615 106 HD3 ARG 13 3HD ARG 13 -10.356 -2.673 9.385 107 HE ARG 13 HE ARG 13 -11.425 -3.328 11.919 108 HH11 ARG 13 1HH1 ARG 13 -10.248 -0.628 10.062 109 HH12 ARG 13 2HH1 ARG 13 -11.227 0.536 10.891 110 HH21 ARG 13 1HH2 ARG 13 -12.718 -1.804 13.018 111 HH22 ARG 13 2HH2 ARG 13 -12.631 -0.133 12.573 112 H ARG 14 H ARG 14 -8.971 -7.254 8.477 113 HA ARG 14 HA ARG 14 -11.749 -7.472 8.583 114 HB2 ARG 14 2HB ARG 14 -9.675 -8.697 6.782 115 HB3 ARG 14 3HB ARG 14 -11.385 -9.051 6.574 116 HG2 ARG 14 2HG ARG 14 -11.805 -7.068 5.635 117 HG3 ARG 14 3HG ARG 14 -10.787 -6.200 6.787 118 HD2 ARG 14 2HD ARG 14 -8.830 -7.301 5.470 119 HD3 ARG 14 3HD ARG 14 -10.041 -7.511 4.205 120 HE ARG 14 HE ARG 14 -9.886 -4.832 5.245 121 HH11 ARG 14 1HH1 ARG 14 -8.624 -7.087 2.912 122 HH12 ARG 14 2HH1 ARG 14 -8.074 -5.856 1.825 123 HH21 ARG 14 1HH2 ARG 14 -9.165 -3.201 3.822 124 HH22 ARG 14 2HH2 ARG 14 -8.381 -3.646 2.344 125 H THR 15 H THR 15 -9.247 -9.930 9.084 126 HA THR 15 HA THR 15 -11.337 -11.772 10.043 127 HB THR 15 HB THR 15 -10.235 -12.849 8.259 128 HG1 THR 15 HG1 THR 15 -10.321 -14.352 9.841 129 HG21 THR 15 1HG2 THR 15 -7.803 -12.996 8.041 130 HG22 THR 15 2HG2 THR 15 -7.607 -12.028 9.502 131 HG23 THR 15 3HG2 THR 15 -8.333 -11.314 8.062 132 H GLY 16 H GLY 16 -9.418 -9.574 11.301 133 HA2 GLY 16 2HA GLY 16 -8.303 -9.278 13.292 134 HA3 GLY 16 3HA GLY 16 -9.475 -10.434 13.909 135 H LYS 17 H LYS 17 -6.750 -10.789 11.647 136 HA LYS 17 HA LYS 17 -5.254 -12.348 13.564 137 HB2 LYS 17 2HB LYS 17 -6.510 -13.605 11.129 138 HB3 LYS 17 3HB LYS 17 -5.109 -14.303 11.931 139 HG2 LYS 17 2HG LYS 17 -6.431 -14.421 14.025 140 HG3 LYS 17 3HG LYS 17 -7.838 -13.858 13.120 141 HD2 LYS 17 2HD LYS 17 -6.933 -15.939 11.580 142 HD3 LYS 17 3HD LYS 17 -6.601 -16.505 13.219 143 HE2 LYS 17 2HE LYS 17 -9.254 -15.283 12.653 144 HE3 LYS 17 3HE LYS 17 -8.939 -16.911 12.052 145 HZ1 LYS 17 1HZ LYS 17 -8.094 -16.679 14.741 146 HZ2 LYS 17 2HZ LYS 17 -9.245 -17.724 14.075 147 HZ3 LYS 17 3HZ LYS 17 -9.707 -16.186 14.607 148 H CYS 18 H CYS 18 -3.096 -12.386 13.118 149 HA CYS 18 HA CYS 18 -2.238 -10.810 10.809 150 HB2 CYS 18 2HB CYS 18 -0.523 -11.763 13.103 151 HB3 CYS 18 3HB CYS 18 -0.177 -10.465 11.965 152 H GLN 19 H GLN 19 -1.066 -11.616 9.162 153 HA GLN 19 HA GLN 19 0.026 -14.327 9.397 154 HB2 GLN 19 2HB GLN 19 -0.895 -14.182 6.775 155 HB3 GLN 19 3HB GLN 19 -1.582 -15.142 8.078 156 HG2 GLN 19 2HG GLN 19 -2.390 -12.290 7.754 157 HG3 GLN 19 3HG GLN 19 -3.084 -13.528 6.709 158 HE21 GLN 19 1HE2 GLN 19 -5.042 -12.661 7.844 159 HE22 GLN 19 2HE2 GLN 19 -5.505 -13.438 9.316 160 H ARG 20 H ARG 20 1.157 -14.766 7.070 161 HA ARG 20 HA ARG 20 2.940 -12.457 6.669 162 HB2 ARG 20 2HB ARG 20 3.514 -15.401 6.280 163 HB3 ARG 20 3HB ARG 20 4.653 -14.093 5.989 164 HG2 ARG 20 2HG ARG 20 5.320 -14.268 8.089 165 HG3 ARG 20 3HG ARG 20 3.718 -13.740 8.609 166 HD2 ARG 20 2HD ARG 20 2.988 -15.889 8.999 167 HD3 ARG 20 3HD ARG 20 4.139 -16.597 7.866 168 HE ARG 20 HE ARG 20 5.533 -15.441 10.020 169 HH11 ARG 20 1HH1 ARG 20 3.464 -18.142 9.280 170 HH12 ARG 20 2HH1 ARG 20 4.130 -19.158 10.515 171 HH21 ARG 20 1HH2 ARG 20 6.418 -16.770 11.650 172 HH22 ARG 20 2HH2 ARG 20 5.810 -18.376 11.863 173 H MET 21 H MET 21 2.889 -11.497 4.752 174 HA MET 21 HA MET 21 1.727 -12.969 2.482 175 HB2 MET 21 2HB MET 21 1.342 -10.604 1.564 176 HB3 MET 21 3HB MET 21 0.315 -11.141 2.886 177 HG2 MET 21 2HG MET 21 1.586 -9.869 4.469 178 HG3 MET 21 3HG MET 21 2.774 -9.447 3.238 179 HE1 MET 21 1HE MET 21 -1.215 -9.081 2.038 180 HE2 MET 21 2HE MET 21 -0.910 -9.742 3.644 181 HE3 MET 21 3HE MET 21 -1.562 -8.112 3.470 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -4.544 -5.500 -1.452 2 HA2 GLY 1 2HA GLY 1 -1.931 -6.766 -0.956 3 HA3 GLY 1 3HA GLY 1 -3.021 -7.450 -2.153 4 H SER 2 H SER 2 -0.399 -5.512 -1.764 5 HA SER 2 HA SER 2 -0.916 -4.143 -4.320 6 HB2 SER 2 2HB SER 2 0.784 -3.000 -2.098 7 HB3 SER 2 3HB SER 2 0.243 -2.190 -3.568 8 HG SER 2 HG SER 2 -1.497 -1.656 -2.541 9 H LYS 3 H LYS 3 1.819 -4.781 -2.117 10 HA LYS 3 HA LYS 3 3.242 -6.047 -4.348 11 HB2 LYS 3 2HB LYS 3 3.990 -3.585 -2.922 12 HB3 LYS 3 3HB LYS 3 5.279 -4.775 -3.041 13 HG2 LYS 3 2HG LYS 3 4.902 -4.850 -5.497 14 HG3 LYS 3 3HG LYS 3 3.746 -3.529 -5.311 15 HD2 LYS 3 2HD LYS 3 5.390 -2.029 -5.277 16 HD3 LYS 3 3HD LYS 3 6.205 -2.889 -3.968 17 HE2 LYS 3 2HE LYS 3 7.792 -2.956 -5.641 18 HE3 LYS 3 3HE LYS 3 6.968 -4.499 -5.862 19 HZ1 LYS 3 1HZ LYS 3 5.790 -3.671 -7.700 20 HZ2 LYS 3 2HZ LYS 3 7.383 -3.148 -7.929 21 HZ3 LYS 3 3HZ LYS 3 6.209 -2.066 -7.369 22 H LYS 4 H LYS 4 5.240 -7.208 -3.559 23 HA LYS 4 HA LYS 4 4.724 -8.375 -0.902 24 HB2 LYS 4 2HB LYS 4 5.887 -10.426 -1.874 25 HB3 LYS 4 3HB LYS 4 4.267 -10.080 -2.465 26 HG2 LYS 4 2HG LYS 4 4.976 -9.648 -4.559 27 HG3 LYS 4 3HG LYS 4 6.479 -8.900 -4.013 28 HD2 LYS 4 2HD LYS 4 7.614 -10.799 -4.295 29 HD3 LYS 4 3HD LYS 4 6.415 -11.725 -3.389 30 HE2 LYS 4 2HE LYS 4 6.332 -12.697 -5.492 31 HE3 LYS 4 3HE LYS 4 4.997 -11.547 -5.543 32 HZ1 LYS 4 1HZ LYS 4 6.192 -10.102 -6.890 33 HZ2 LYS 4 2HZ LYS 4 6.588 -11.623 -7.517 34 HZ3 LYS 4 3HZ LYS 4 7.684 -10.808 -6.519 35 HA PRO 5 HA PRO 5 8.884 -6.377 -0.718 36 HB2 PRO 5 2HB PRO 5 8.580 -5.478 1.826 37 HB3 PRO 5 3HB PRO 5 8.008 -4.580 0.415 38 HG2 PRO 5 2HG PRO 5 6.475 -6.341 2.288 39 HG3 PRO 5 3HG PRO 5 6.021 -4.767 1.608 40 HD2 PRO 5 2HD PRO 5 5.080 -7.106 0.621 41 HD3 PRO 5 3HD PRO 5 5.364 -5.683 -0.402 42 H VAL 6 H VAL 6 8.023 -7.162 2.566 43 HA VAL 6 HA VAL 6 9.849 -9.477 2.474 44 HB VAL 6 HB VAL 6 9.934 -8.647 5.092 45 HG11 VAL 6 1HG1 VAL 6 12.130 -7.436 3.957 46 HG12 VAL 6 2HG1 VAL 6 12.017 -9.129 4.443 47 HG13 VAL 6 3HG1 VAL 6 11.692 -8.666 2.772 48 HG21 VAL 6 1HG2 VAL 6 10.272 -6.295 5.169 49 HG22 VAL 6 2HG2 VAL 6 10.162 -6.155 3.415 50 HG23 VAL 6 3HG2 VAL 6 8.729 -6.564 4.359 51 HA PRO 7 HA PRO 7 6.749 -11.953 4.349 52 HB2 PRO 7 2HB PRO 7 8.202 -13.514 6.030 53 HB3 PRO 7 3HB PRO 7 8.239 -13.700 4.272 54 HG2 PRO 7 2HG PRO 7 10.178 -12.297 6.071 55 HG3 PRO 7 3HG PRO 7 10.502 -13.366 4.693 56 HD2 PRO 7 2HD PRO 7 10.638 -10.668 4.507 57 HD3 PRO 7 3HD PRO 7 10.135 -11.695 3.149 58 H ILE 8 H ILE 8 7.301 -9.339 5.644 59 HA ILE 8 HA ILE 8 7.412 -9.580 8.439 60 HB ILE 8 HB ILE 8 6.132 -7.326 8.352 61 HG12 ILE 8 2HG1 ILE 8 6.109 -6.207 6.217 62 HG13 ILE 8 3HG1 ILE 8 6.918 -7.565 5.442 63 HG21 ILE 8 1HG2 ILE 8 8.331 -7.028 8.831 64 HG22 ILE 8 2HG2 ILE 8 8.875 -7.980 7.451 65 HG23 ILE 8 3HG2 ILE 8 8.321 -6.323 7.215 66 HD11 ILE 8 1HD1 ILE 8 4.448 -7.348 5.024 67 HD12 ILE 8 2HD1 ILE 8 4.998 -8.920 5.605 68 HD13 ILE 8 3HD1 ILE 8 4.210 -7.797 6.713 69 H ILE 9 H ILE 9 5.507 -8.767 9.845 70 HA ILE 9 HA ILE 9 3.275 -10.572 9.337 71 HB ILE 9 HB ILE 9 4.170 -10.760 11.535 72 HG12 ILE 9 2HG1 ILE 9 2.226 -10.145 12.939 73 HG13 ILE 9 3HG1 ILE 9 1.618 -9.135 11.632 74 HG21 ILE 9 1HG2 ILE 9 3.899 -7.767 11.657 75 HG22 ILE 9 2HG2 ILE 9 4.168 -8.769 13.082 76 HG23 ILE 9 3HG2 ILE 9 5.368 -8.732 11.790 77 HD11 ILE 9 1HD1 ILE 9 1.103 -11.844 12.095 78 HD12 ILE 9 2HD1 ILE 9 0.614 -10.871 10.707 79 HD13 ILE 9 3HD1 ILE 9 2.126 -11.778 10.660 80 H TYR 10 H TYR 10 1.168 -9.945 9.106 81 HA TYR 10 HA TYR 10 0.581 -7.068 9.140 82 HB2 TYR 10 2HB TYR 10 -0.297 -7.024 7.000 83 HB3 TYR 10 3HB TYR 10 1.054 -8.132 6.790 84 HD1 TYR 10 HD1 TYR 10 -2.515 -7.716 6.588 85 HD2 TYR 10 HD2 TYR 10 0.597 -10.612 6.772 86 HE1 TYR 10 HE1 TYR 10 -4.061 -9.424 5.725 87 HE2 TYR 10 HE2 TYR 10 -0.939 -12.327 5.909 88 HH TYR 10 HH TYR 10 -3.893 -11.605 4.495 89 H CYS 11 H CYS 11 -1.318 -6.554 10.054 90 HA CYS 11 HA CYS 11 -2.991 -8.750 11.016 91 HB2 CYS 11 2HB CYS 11 -2.775 -5.840 11.786 92 HB3 CYS 11 3HB CYS 11 -4.054 -6.887 12.392 93 H ASN 12 H ASN 12 -4.657 -9.319 9.794 94 HA ASN 12 HA ASN 12 -5.868 -7.389 7.978 95 HB2 ASN 12 2HB ASN 12 -5.307 -10.074 7.733 96 HB3 ASN 12 3HB ASN 12 -7.037 -10.076 8.060 97 HD21 ASN 12 1HD2 ASN 12 -7.706 -10.665 6.057 98 HD22 ASN 12 2HD2 ASN 12 -7.512 -9.679 4.651 99 H ARG 13 H ARG 13 -7.117 -6.050 9.226 100 HA ARG 13 HA ARG 13 -8.704 -6.730 11.390 101 HB2 ARG 13 2HB ARG 13 -8.293 -4.444 9.766 102 HB3 ARG 13 3HB ARG 13 -10.030 -4.700 9.863 103 HG2 ARG 13 2HG ARG 13 -9.462 -4.987 12.437 104 HG3 ARG 13 3HG ARG 13 -8.095 -3.968 11.981 105 HD2 ARG 13 2HD ARG 13 -9.387 -2.159 11.857 106 HD3 ARG 13 3HD ARG 13 -10.556 -2.991 10.832 107 HE ARG 13 HE ARG 13 -11.118 -3.962 13.283 108 HH11 ARG 13 1HH1 ARG 13 -10.721 -0.730 12.052 109 HH12 ARG 13 2HH1 ARG 13 -11.828 -0.024 13.182 110 HH21 ARG 13 1HH2 ARG 13 -12.578 -3.044 14.776 111 HH22 ARG 13 2HH2 ARG 13 -12.883 -1.341 14.731 112 H ARG 14 H ARG 14 -9.228 -7.289 8.019 113 HA ARG 14 HA ARG 14 -12.003 -7.531 7.923 114 HB2 ARG 14 2HB ARG 14 -9.872 -9.031 6.394 115 HB3 ARG 14 3HB ARG 14 -11.586 -9.088 6.005 116 HG2 ARG 14 2HG ARG 14 -9.826 -6.646 5.952 117 HG3 ARG 14 3HG ARG 14 -10.441 -7.532 4.555 118 HD2 ARG 14 2HD ARG 14 -12.767 -7.038 5.523 119 HD3 ARG 14 3HD ARG 14 -11.946 -5.843 6.526 120 HE ARG 14 HE ARG 14 -11.192 -5.432 3.863 121 HH11 ARG 14 1HH1 ARG 14 -14.009 -5.183 5.893 122 HH12 ARG 14 2HH1 ARG 14 -14.726 -3.908 4.964 123 HH21 ARG 14 1HH2 ARG 14 -12.126 -3.754 2.632 124 HH22 ARG 14 2HH2 ARG 14 -13.654 -3.097 3.109 125 H THR 15 H THR 15 -9.536 -9.844 8.924 126 HA THR 15 HA THR 15 -11.688 -11.650 9.823 127 HB THR 15 HB THR 15 -10.489 -12.840 8.168 128 HG1 THR 15 HG1 THR 15 -10.787 -13.993 10.167 129 HG21 THR 15 1HG2 THR 15 -8.067 -13.023 8.095 130 HG22 THR 15 2HG2 THR 15 -7.925 -12.033 9.547 131 HG23 THR 15 3HG2 THR 15 -8.541 -11.326 8.054 132 H GLY 16 H GLY 16 -9.801 -9.377 11.010 133 HA2 GLY 16 2HA GLY 16 -8.803 -8.936 13.035 134 HA3 GLY 16 3HA GLY 16 -10.004 -10.051 13.670 135 H LYS 17 H LYS 17 -7.148 -10.522 11.596 136 HA LYS 17 HA LYS 17 -5.771 -11.964 13.687 137 HB2 LYS 17 2HB LYS 17 -6.860 -13.358 11.245 138 HB3 LYS 17 3HB LYS 17 -5.511 -14.001 12.172 139 HG2 LYS 17 2HG LYS 17 -6.963 -14.026 14.178 140 HG3 LYS 17 3HG LYS 17 -8.312 -13.512 13.162 141 HD2 LYS 17 2HD LYS 17 -8.569 -15.821 13.246 142 HD3 LYS 17 3HD LYS 17 -7.710 -15.574 11.724 143 HE2 LYS 17 2HE LYS 17 -5.945 -15.893 14.030 144 HE3 LYS 17 3HE LYS 17 -6.964 -17.299 13.723 145 HZ1 LYS 17 1HZ LYS 17 -5.650 -16.121 11.410 146 HZ2 LYS 17 2HZ LYS 17 -5.921 -17.746 11.790 147 HZ3 LYS 17 3HZ LYS 17 -4.643 -16.910 12.517 148 H CYS 18 H CYS 18 -3.593 -11.963 13.402 149 HA CYS 18 HA CYS 18 -2.596 -10.532 11.056 150 HB2 CYS 18 2HB CYS 18 -1.037 -11.298 13.525 151 HB3 CYS 18 3HB CYS 18 -0.627 -10.073 12.328 152 H GLN 19 H GLN 19 -1.293 -11.420 9.555 153 HA GLN 19 HA GLN 19 -0.143 -14.066 10.052 154 HB2 GLN 19 2HB GLN 19 -0.987 -14.136 7.380 155 HB3 GLN 19 3HB GLN 19 -1.621 -15.079 8.722 156 HG2 GLN 19 2HG GLN 19 -3.321 -13.450 9.147 157 HG3 GLN 19 3HG GLN 19 -2.620 -12.345 7.965 158 HE21 GLN 19 1HE2 GLN 19 -5.294 -13.286 7.985 159 HE22 GLN 19 2HE2 GLN 19 -5.541 -14.197 6.538 160 H ARG 20 H ARG 20 1.032 -14.634 7.733 161 HA ARG 20 HA ARG 20 2.794 -12.322 7.262 162 HB2 ARG 20 2HB ARG 20 4.534 -13.974 6.673 163 HB3 ARG 20 3HB ARG 20 3.959 -14.165 8.324 164 HG2 ARG 20 2HG ARG 20 3.597 -16.304 7.896 165 HG3 ARG 20 3HG ARG 20 2.342 -15.827 6.751 166 HD2 ARG 20 2HD ARG 20 3.983 -17.306 5.708 167 HD3 ARG 20 3HD ARG 20 3.999 -15.706 4.968 168 HE ARG 20 HE ARG 20 5.930 -15.713 6.968 169 HH11 ARG 20 1HH1 ARG 20 5.305 -17.325 3.946 170 HH12 ARG 20 2HH1 ARG 20 6.980 -17.566 3.578 171 HH21 ARG 20 1HH2 ARG 20 8.139 -16.024 6.495 172 HH22 ARG 20 2HH2 ARG 20 8.592 -16.826 5.029 173 H MET 21 H MET 21 2.768 -11.446 5.304 174 HA MET 21 HA MET 21 1.642 -13.020 3.085 175 HB2 MET 21 2HB MET 21 1.296 -10.704 2.045 176 HB3 MET 21 3HB MET 21 0.252 -11.152 3.388 177 HG2 MET 21 2HG MET 21 1.517 -9.807 4.906 178 HG3 MET 21 3HG MET 21 2.738 -9.486 3.676 179 HE1 MET 21 1HE MET 21 -1.564 -8.014 3.758 180 HE2 MET 21 2HE MET 21 -1.232 -9.128 2.432 181 HE3 MET 21 3HE MET 21 -0.961 -9.636 4.099 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -3.256 -8.721 -3.206 2 HA2 GLY 1 2HA GLY 1 -2.141 -6.682 -2.803 3 HA3 GLY 1 3HA GLY 1 -0.819 -7.838 -2.871 4 H SER 2 H SER 2 0.584 -6.163 -3.566 5 HA SER 2 HA SER 2 0.323 -5.592 -6.436 6 HB2 SER 2 2HB SER 2 0.542 -3.657 -4.209 7 HB3 SER 2 3HB SER 2 1.589 -3.347 -5.594 8 HG SER 2 HG SER 2 -0.138 -2.503 -6.436 9 H LYS 3 H LYS 3 2.637 -4.948 -3.799 10 HA LYS 3 HA LYS 3 4.701 -6.301 -5.411 11 HB2 LYS 3 2HB LYS 3 4.757 -3.677 -3.992 12 HB3 LYS 3 3HB LYS 3 6.234 -4.631 -4.029 13 HG2 LYS 3 2HG LYS 3 4.981 -4.443 -6.639 14 HG3 LYS 3 3HG LYS 3 5.375 -2.862 -5.960 15 HD2 LYS 3 2HD LYS 3 7.597 -3.205 -6.132 16 HD3 LYS 3 3HD LYS 3 7.472 -4.903 -5.665 17 HE2 LYS 3 2HE LYS 3 6.909 -5.566 -7.856 18 HE3 LYS 3 3HE LYS 3 6.575 -3.908 -8.356 19 HZ1 LYS 3 1HZ LYS 3 8.634 -4.082 -9.213 20 HZ2 LYS 3 2HZ LYS 3 9.113 -5.306 -8.148 21 HZ3 LYS 3 3HZ LYS 3 9.121 -3.693 -7.640 22 H LYS 4 H LYS 4 6.571 -7.066 -4.089 23 HA LYS 4 HA LYS 4 5.648 -8.010 -1.454 24 HB2 LYS 4 2HB LYS 4 7.633 -9.447 -3.210 25 HB3 LYS 4 3HB LYS 4 6.789 -10.069 -1.798 26 HG2 LYS 4 2HG LYS 4 4.667 -9.934 -3.040 27 HG3 LYS 4 3HG LYS 4 5.560 -9.392 -4.463 28 HD2 LYS 4 2HD LYS 4 6.943 -11.555 -4.115 29 HD3 LYS 4 3HD LYS 4 5.577 -12.072 -3.124 30 HE2 LYS 4 2HE LYS 4 5.255 -11.060 -5.938 31 HE3 LYS 4 3HE LYS 4 5.541 -12.759 -5.568 32 HZ1 LYS 4 1HZ LYS 4 3.383 -11.446 -4.116 33 HZ2 LYS 4 2HZ LYS 4 3.475 -13.020 -4.728 34 HZ3 LYS 4 3HZ LYS 4 3.121 -11.730 -5.763 35 HA PRO 5 HA PRO 5 9.387 -5.398 -0.727 36 HB2 PRO 5 2HB PRO 5 8.435 -4.289 1.560 37 HB3 PRO 5 3HB PRO 5 8.070 -3.644 -0.044 38 HG2 PRO 5 2HG PRO 5 6.405 -5.406 1.712 39 HG3 PRO 5 3HG PRO 5 5.914 -4.000 0.749 40 HD2 PRO 5 2HD PRO 5 5.507 -6.547 -0.078 41 HD3 PRO 5 3HD PRO 5 5.823 -5.215 -1.208 42 H VAL 6 H VAL 6 7.950 -5.949 2.398 43 HA VAL 6 HA VAL 6 10.079 -7.897 3.002 44 HB VAL 6 HB VAL 6 8.816 -5.908 4.894 45 HG11 VAL 6 1HG1 VAL 6 11.126 -7.794 5.343 46 HG12 VAL 6 2HG1 VAL 6 10.438 -6.668 6.515 47 HG13 VAL 6 3HG1 VAL 6 9.487 -8.040 5.946 48 HG21 VAL 6 1HG2 VAL 6 11.024 -4.832 4.894 49 HG22 VAL 6 2HG2 VAL 6 11.568 -5.964 3.657 50 HG23 VAL 6 3HG2 VAL 6 10.284 -4.812 3.294 51 HA PRO 7 HA PRO 7 6.802 -10.722 3.921 52 HB2 PRO 7 2HB PRO 7 8.304 -12.599 5.183 53 HB3 PRO 7 3HB PRO 7 8.314 -12.381 3.429 54 HG2 PRO 7 2HG PRO 7 10.264 -11.389 5.473 55 HG3 PRO 7 3HG PRO 7 10.579 -12.113 3.885 56 HD2 PRO 7 2HD PRO 7 10.675 -9.441 4.314 57 HD3 PRO 7 3HD PRO 7 10.163 -10.141 2.765 58 H ILE 8 H ILE 8 7.340 -8.461 5.767 59 HA ILE 8 HA ILE 8 7.501 -9.326 8.432 60 HB ILE 8 HB ILE 8 6.190 -7.134 8.876 61 HG12 ILE 8 2HG1 ILE 8 6.116 -5.560 7.050 62 HG13 ILE 8 3HG1 ILE 8 6.930 -6.694 5.978 63 HG21 ILE 8 1HG2 ILE 8 8.926 -7.611 7.960 64 HG22 ILE 8 2HG2 ILE 8 8.400 -5.934 7.817 65 HG23 ILE 8 3HG2 ILE 8 8.338 -6.748 9.381 66 HD11 ILE 8 1HD1 ILE 8 4.247 -7.255 7.198 67 HD12 ILE 8 2HD1 ILE 8 4.451 -6.431 5.652 68 HD13 ILE 8 3HD1 ILE 8 5.033 -8.084 5.854 69 H ILE 9 H ILE 9 5.611 -8.886 10.012 70 HA ILE 9 HA ILE 9 3.397 -10.571 9.142 71 HB ILE 9 HB ILE 9 4.325 -11.227 11.232 72 HG12 ILE 9 2HG1 ILE 9 2.397 -10.957 12.766 73 HG13 ILE 9 3HG1 ILE 9 1.755 -9.701 11.714 74 HG21 ILE 9 1HG2 ILE 9 5.509 -9.303 11.924 75 HG22 ILE 9 2HG2 ILE 9 4.037 -8.336 12.004 76 HG23 ILE 9 3HG2 ILE 9 4.314 -9.619 13.182 77 HD11 ILE 9 1HD1 ILE 9 2.277 -12.053 10.180 78 HD12 ILE 9 2HD1 ILE 9 1.295 -12.460 11.588 79 HD13 ILE 9 3HD1 ILE 9 0.751 -11.217 10.463 80 H TYR 10 H TYR 10 1.276 -9.948 9.084 81 HA TYR 10 HA TYR 10 0.654 -7.154 9.743 82 HB2 TYR 10 2HB TYR 10 -0.296 -6.687 7.683 83 HB3 TYR 10 3HB TYR 10 1.072 -7.691 7.214 84 HD1 TYR 10 HD1 TYR 10 -2.519 -7.356 7.224 85 HD2 TYR 10 HD2 TYR 10 0.677 -10.107 6.656 86 HE1 TYR 10 HE1 TYR 10 -4.052 -8.888 6.061 87 HE2 TYR 10 HE2 TYR 10 -0.846 -11.646 5.490 88 HH TYR 10 HH TYR 10 -3.741 -10.792 4.267 89 H CYS 11 H CYS 11 -1.218 -6.874 10.800 90 HA CYS 11 HA CYS 11 -2.848 -9.249 11.312 91 HB2 CYS 11 2HB CYS 11 -2.615 -6.579 12.700 92 HB3 CYS 11 3HB CYS 11 -3.870 -7.748 13.100 93 H ASN 12 H ASN 12 -4.573 -9.550 10.080 94 HA ASN 12 HA ASN 12 -5.835 -7.284 8.751 95 HB2 ASN 12 2HB ASN 12 -5.262 -9.763 7.837 96 HB3 ASN 12 3HB ASN 12 -6.923 -10.012 8.367 97 HD21 ASN 12 1HD2 ASN 12 -7.904 -7.436 7.829 98 HD22 ASN 12 2HD2 ASN 12 -7.955 -7.228 6.114 99 H ARG 13 H ARG 13 -6.954 -6.262 10.402 100 HA ARG 13 HA ARG 13 -8.474 -7.351 12.406 101 HB2 ARG 13 2HB ARG 13 -9.036 -5.219 12.804 102 HB3 ARG 13 3HB ARG 13 -8.059 -4.810 11.400 103 HG2 ARG 13 2HG ARG 13 -10.064 -4.987 9.983 104 HG3 ARG 13 3HG ARG 13 -11.026 -5.314 11.426 105 HD2 ARG 13 2HD ARG 13 -9.364 -2.832 11.037 106 HD3 ARG 13 3HD ARG 13 -11.079 -2.937 10.641 107 HE ARG 13 HE ARG 13 -10.657 -3.758 13.306 108 HH11 ARG 13 1HH1 ARG 13 -10.670 -0.906 11.310 109 HH12 ARG 13 2HH1 ARG 13 -11.105 0.158 12.607 110 HH21 ARG 13 1HH2 ARG 13 -11.230 -2.368 15.021 111 HH22 ARG 13 2HH2 ARG 13 -11.422 -0.675 14.717 112 H ARG 14 H ARG 14 -9.285 -7.014 9.015 113 HA ARG 14 HA ARG 14 -12.030 -7.426 9.097 114 HB2 ARG 14 2HB ARG 14 -10.008 -8.309 7.033 115 HB3 ARG 14 3HB ARG 14 -11.749 -8.377 6.795 116 HG2 ARG 14 2HG ARG 14 -10.113 -5.895 7.272 117 HG3 ARG 14 3HG ARG 14 -10.816 -6.410 5.738 118 HD2 ARG 14 2HD ARG 14 -12.281 -5.580 8.237 119 HD3 ARG 14 3HD ARG 14 -12.225 -4.723 6.697 120 HE ARG 14 HE ARG 14 -13.263 -7.216 6.143 121 HH11 ARG 14 1HH1 ARG 14 -14.115 -4.497 8.144 122 HH12 ARG 14 2HH1 ARG 14 -15.820 -4.791 8.043 123 HH21 ARG 14 1HH2 ARG 14 -15.505 -7.613 6.003 124 HH22 ARG 14 2HH2 ARG 14 -16.609 -6.564 6.826 125 H THR 15 H THR 15 -9.396 -9.789 9.086 126 HA THR 15 HA THR 15 -11.367 -11.924 9.552 127 HB THR 15 HB THR 15 -10.124 -13.321 8.319 128 HG1 THR 15 HG1 THR 15 -8.161 -13.850 8.975 129 HG21 THR 15 1HG2 THR 15 -8.588 -10.809 7.642 130 HG22 THR 15 2HG2 THR 15 -10.085 -11.346 6.880 131 HG23 THR 15 3HG2 THR 15 -8.609 -12.290 6.686 132 H GLY 16 H GLY 16 -9.673 -9.895 11.347 133 HA2 GLY 16 2HA GLY 16 -8.668 -9.945 13.419 134 HA3 GLY 16 3HA GLY 16 -9.844 -11.211 13.739 135 H LYS 17 H LYS 17 -7.010 -11.158 11.594 136 HA LYS 17 HA LYS 17 -5.559 -12.969 13.315 137 HB2 LYS 17 2HB LYS 17 -6.690 -13.858 10.665 138 HB3 LYS 17 3HB LYS 17 -5.308 -14.649 11.411 139 HG2 LYS 17 2HG LYS 17 -6.708 -15.108 13.403 140 HG3 LYS 17 3HG LYS 17 -8.090 -14.429 12.539 141 HD2 LYS 17 2HD LYS 17 -8.054 -16.153 10.927 142 HD3 LYS 17 3HD LYS 17 -6.449 -16.691 11.426 143 HE2 LYS 17 2HE LYS 17 -7.893 -16.913 13.742 144 HE3 LYS 17 3HE LYS 17 -9.082 -17.350 12.516 145 HZ1 LYS 17 1HZ LYS 17 -6.429 -18.606 12.952 146 HZ2 LYS 17 2HZ LYS 17 -7.434 -18.953 11.637 147 HZ3 LYS 17 3HZ LYS 17 -7.945 -19.312 13.209 148 H CYS 18 H CYS 18 -3.383 -12.918 12.953 149 HA CYS 18 HA CYS 18 -2.467 -10.990 10.954 150 HB2 CYS 18 2HB CYS 18 -0.825 -12.263 13.144 151 HB3 CYS 18 3HB CYS 18 -0.460 -10.800 12.235 152 H GLN 19 H GLN 19 -1.220 -11.518 9.251 153 HA GLN 19 HA GLN 19 -0.081 -14.216 9.113 154 HB2 GLN 19 2HB GLN 19 -0.909 -13.684 6.509 155 HB3 GLN 19 3HB GLN 19 -1.621 -14.845 7.622 156 HG2 GLN 19 2HG GLN 19 -2.480 -11.990 7.706 157 HG3 GLN 19 3HG GLN 19 -3.111 -13.066 6.460 158 HE21 GLN 19 1HE2 GLN 19 -5.122 -12.407 7.646 159 HE22 GLN 19 2HE2 GLN 19 -5.620 -13.409 8.963 160 H ARG 20 H ARG 20 1.142 -14.276 6.792 161 HA ARG 20 HA ARG 20 2.885 -11.902 6.813 162 HB2 ARG 20 2HB ARG 20 4.661 -13.393 5.962 163 HB3 ARG 20 3HB ARG 20 4.051 -13.907 7.530 164 HG2 ARG 20 2HG ARG 20 2.492 -15.252 5.637 165 HG3 ARG 20 3HG ARG 20 4.155 -15.346 5.053 166 HD2 ARG 20 2HD ARG 20 4.894 -16.444 6.973 167 HD3 ARG 20 3HD ARG 20 3.491 -15.938 7.913 168 HE ARG 20 HE ARG 20 2.646 -17.569 5.784 169 HH11 ARG 20 1HH1 ARG 20 4.371 -17.758 8.802 170 HH12 ARG 20 2HH1 ARG 20 3.927 -19.405 9.103 171 HH21 ARG 20 1HH2 ARG 20 2.054 -19.738 6.169 172 HH22 ARG 20 2HH2 ARG 20 2.609 -20.531 7.605 173 H MET 21 H MET 21 2.885 -10.671 5.056 174 HA MET 21 HA MET 21 1.900 -11.834 2.534 175 HB2 MET 21 2HB MET 21 1.365 -9.388 1.973 176 HB3 MET 21 3HB MET 21 0.330 -10.199 3.140 177 HG2 MET 21 2HG MET 21 1.595 -9.142 4.964 178 HG3 MET 21 3HG MET 21 2.570 -8.291 3.768 179 HE1 MET 21 1HE MET 21 0.847 -6.865 1.640 180 HE2 MET 21 2HE MET 21 0.540 -5.418 2.599 181 HE3 MET 21 3HE MET 21 2.089 -6.251 2.731 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -0.769 -8.225 -1.511 2 HA2 GLY 1 2HA GLY 1 -2.168 -6.740 -3.039 3 HA3 GLY 1 3HA GLY 1 -0.754 -5.966 -2.338 4 H SER 2 H SER 2 0.438 -4.874 -3.735 5 HA SER 2 HA SER 2 0.233 -5.523 -6.582 6 HB2 SER 2 2HB SER 2 0.980 -3.066 -5.042 7 HB3 SER 2 3HB SER 2 1.574 -3.258 -6.691 8 HG SER 2 HG SER 2 -0.565 -3.435 -7.392 9 H LYS 3 H LYS 3 2.691 -4.849 -4.106 10 HA LYS 3 HA LYS 3 4.618 -6.366 -5.739 11 HB2 LYS 3 2HB LYS 3 4.904 -3.741 -4.358 12 HB3 LYS 3 3HB LYS 3 6.295 -4.818 -4.366 13 HG2 LYS 3 2HG LYS 3 6.719 -4.454 -6.532 14 HG3 LYS 3 3HG LYS 3 5.011 -4.491 -6.977 15 HD2 LYS 3 2HD LYS 3 5.023 -2.178 -5.665 16 HD3 LYS 3 3HD LYS 3 6.719 -2.205 -6.153 17 HE2 LYS 3 2HE LYS 3 6.200 -2.151 -8.412 18 HE3 LYS 3 3HE LYS 3 4.570 -2.771 -8.155 19 HZ1 LYS 3 1HZ LYS 3 3.768 -0.728 -7.672 20 HZ2 LYS 3 2HZ LYS 3 5.060 -0.231 -8.644 21 HZ3 LYS 3 3HZ LYS 3 5.204 -0.188 -6.959 22 H LYS 4 H LYS 4 6.465 -7.226 -4.403 23 HA LYS 4 HA LYS 4 5.463 -8.127 -1.781 24 HB2 LYS 4 2HB LYS 4 7.377 -9.641 -3.557 25 HB3 LYS 4 3HB LYS 4 6.557 -10.230 -2.116 26 HG2 LYS 4 2HG LYS 4 4.437 -9.537 -3.637 27 HG3 LYS 4 3HG LYS 4 5.597 -10.006 -4.883 28 HD2 LYS 4 2HD LYS 4 5.330 -11.801 -2.539 29 HD3 LYS 4 3HD LYS 4 3.982 -11.759 -3.678 30 HE2 LYS 4 2HE LYS 4 5.528 -12.261 -5.513 31 HE3 LYS 4 3HE LYS 4 6.868 -12.311 -4.368 32 HZ1 LYS 4 1HZ LYS 4 5.358 -14.076 -3.214 33 HZ2 LYS 4 2HZ LYS 4 6.338 -14.512 -4.522 34 HZ3 LYS 4 3HZ LYS 4 4.686 -14.232 -4.759 35 HA PRO 5 HA PRO 5 9.313 -5.702 -0.989 36 HB2 PRO 5 2HB PRO 5 8.382 -4.556 1.289 37 HB3 PRO 5 3HB PRO 5 8.073 -3.888 -0.318 38 HG2 PRO 5 2HG PRO 5 6.299 -5.574 1.406 39 HG3 PRO 5 3HG PRO 5 5.890 -4.143 0.442 40 HD2 PRO 5 2HD PRO 5 5.373 -6.663 -0.401 41 HD3 PRO 5 3HD PRO 5 5.769 -5.344 -1.521 42 H VAL 6 H VAL 6 7.804 -6.194 2.113 43 HA VAL 6 HA VAL 6 9.811 -8.264 2.732 44 HB VAL 6 HB VAL 6 10.438 -6.328 3.952 45 HG11 VAL 6 1HG1 VAL 6 7.526 -5.979 4.254 46 HG12 VAL 6 2HG1 VAL 6 8.511 -5.495 5.636 47 HG13 VAL 6 3HG1 VAL 6 8.801 -4.777 4.051 48 HG21 VAL 6 1HG2 VAL 6 10.483 -8.420 5.225 49 HG22 VAL 6 2HG2 VAL 6 10.169 -7.034 6.270 50 HG23 VAL 6 3HG2 VAL 6 8.847 -8.103 5.803 51 HA PRO 7 HA PRO 7 6.310 -10.830 3.623 52 HB2 PRO 7 2HB PRO 7 7.683 -12.870 4.773 53 HB3 PRO 7 3HB PRO 7 7.657 -12.593 3.027 54 HG2 PRO 7 2HG PRO 7 9.748 -11.842 5.034 55 HG3 PRO 7 3HG PRO 7 9.949 -12.534 3.414 56 HD2 PRO 7 2HD PRO 7 10.289 -9.897 3.924 57 HD3 PRO 7 3HD PRO 7 9.671 -10.497 2.372 58 H ILE 8 H ILE 8 6.971 -8.680 5.490 59 HA ILE 8 HA ILE 8 7.232 -9.579 8.131 60 HB ILE 8 HB ILE 8 5.940 -7.386 8.652 61 HG12 ILE 8 2HG1 ILE 8 5.813 -5.791 6.851 62 HG13 ILE 8 3HG1 ILE 8 6.593 -6.910 5.739 63 HG21 ILE 8 1HG2 ILE 8 8.637 -7.931 7.784 64 HG22 ILE 8 2HG2 ILE 8 8.172 -6.271 7.418 65 HG23 ILE 8 3HG2 ILE 8 8.063 -6.873 9.072 66 HD11 ILE 8 1HD1 ILE 8 3.953 -7.505 7.031 67 HD12 ILE 8 2HD1 ILE 8 4.097 -6.629 5.506 68 HD13 ILE 8 3HD1 ILE 8 4.692 -8.284 5.632 69 H ILE 9 H ILE 9 5.420 -9.160 9.801 70 HA ILE 9 HA ILE 9 3.160 -10.820 9.009 71 HB ILE 9 HB ILE 9 4.180 -11.513 11.043 72 HG12 ILE 9 2HG1 ILE 9 2.327 -11.259 12.669 73 HG13 ILE 9 3HG1 ILE 9 1.644 -9.983 11.668 74 HG21 ILE 9 1HG2 ILE 9 5.404 -9.601 11.706 75 HG22 ILE 9 2HG2 ILE 9 3.940 -8.633 11.875 76 HG23 ILE 9 3HG2 ILE 9 4.272 -9.937 13.015 77 HD11 ILE 9 1HD1 ILE 9 1.165 -12.739 11.519 78 HD12 ILE 9 2HD1 ILE 9 0.574 -11.474 10.441 79 HD13 ILE 9 3HD1 ILE 9 2.082 -12.312 10.074 80 H TYR 10 H TYR 10 1.042 -10.188 9.059 81 HA TYR 10 HA TYR 10 0.465 -7.401 9.786 82 HB2 TYR 10 2HB TYR 10 -0.576 -6.900 7.779 83 HB3 TYR 10 3HB TYR 10 0.760 -7.907 7.232 84 HD1 TYR 10 HD1 TYR 10 0.322 -10.309 6.655 85 HD2 TYR 10 HD2 TYR 10 -2.825 -7.550 7.424 86 HE1 TYR 10 HE1 TYR 10 -1.268 -11.822 5.545 87 HE2 TYR 10 HE2 TYR 10 -4.423 -9.056 6.317 88 HH TYR 10 HH TYR 10 -4.028 -11.043 4.363 89 H CYS 11 H CYS 11 -1.351 -7.129 10.937 90 HA CYS 11 HA CYS 11 -2.959 -9.503 11.507 91 HB2 CYS 11 2HB CYS 11 -2.645 -6.841 12.888 92 HB3 CYS 11 3HB CYS 11 -3.913 -7.980 13.329 93 H ASN 12 H ASN 12 -4.738 -9.808 10.353 94 HA ASN 12 HA ASN 12 -6.063 -7.541 9.087 95 HB2 ASN 12 2HB ASN 12 -5.526 -10.048 8.170 96 HB3 ASN 12 3HB ASN 12 -7.190 -10.242 8.714 97 HD21 ASN 12 1HD2 ASN 12 -6.384 -10.445 6.050 98 HD22 ASN 12 2HD2 ASN 12 -7.103 -9.150 5.160 99 H ARG 13 H ARG 13 -7.205 -6.509 10.678 100 HA ARG 13 HA ARG 13 -8.620 -7.647 12.769 101 HB2 ARG 13 2HB ARG 13 -9.054 -5.507 13.236 102 HB3 ARG 13 3HB ARG 13 -8.259 -5.076 11.727 103 HG2 ARG 13 2HG ARG 13 -10.404 -5.220 10.559 104 HG3 ARG 13 3HG ARG 13 -11.197 -5.637 12.080 105 HD2 ARG 13 2HD ARG 13 -11.586 -3.369 11.961 106 HD3 ARG 13 3HD ARG 13 -10.115 -3.426 12.930 107 HE ARG 13 HE ARG 13 -9.324 -3.210 10.283 108 HH11 ARG 13 1HH1 ARG 13 -11.129 -1.339 12.599 109 HH12 ARG 13 2HH1 ARG 13 -10.695 0.186 11.901 110 HH21 ARG 13 1HH2 ARG 13 -8.745 -1.208 9.355 111 HH22 ARG 13 2HH2 ARG 13 -9.339 0.259 10.055 112 H ARG 14 H ARG 14 -9.420 -7.468 9.408 113 HA ARG 14 HA ARG 14 -12.196 -7.728 9.499 114 HB2 ARG 14 2HB ARG 14 -10.095 -8.510 7.515 115 HB3 ARG 14 3HB ARG 14 -11.753 -9.043 7.268 116 HG2 ARG 14 2HG ARG 14 -12.503 -6.956 6.792 117 HG3 ARG 14 3HG ARG 14 -11.327 -6.172 7.848 118 HD2 ARG 14 2HD ARG 14 -9.570 -6.901 6.151 119 HD3 ARG 14 3HD ARG 14 -10.922 -7.257 5.076 120 HE ARG 14 HE ARG 14 -11.369 -4.697 5.897 121 HH11 ARG 14 1HH1 ARG 14 -8.715 -6.357 4.375 122 HH12 ARG 14 2HH1 ARG 14 -8.161 -4.958 3.516 123 HH21 ARG 14 1HH2 ARG 14 -10.650 -2.847 4.772 124 HH22 ARG 14 2HH2 ARG 14 -9.262 -2.962 3.744 125 H THR 15 H THR 15 -9.664 -10.205 9.574 126 HA THR 15 HA THR 15 -11.724 -12.202 10.244 127 HB THR 15 HB THR 15 -10.627 -12.954 8.293 128 HG1 THR 15 HG1 THR 15 -10.761 -14.579 9.899 129 HG21 THR 15 1HG2 THR 15 -8.199 -13.051 8.042 130 HG22 THR 15 2HG2 THR 15 -7.994 -12.355 9.649 131 HG23 THR 15 3HG2 THR 15 -8.727 -11.399 8.361 132 H GLY 16 H GLY 16 -9.813 -10.214 11.822 133 HA2 GLY 16 2HA GLY 16 -8.679 -10.230 13.824 134 HA3 GLY 16 3HA GLY 16 -9.829 -11.486 14.256 135 H LYS 17 H LYS 17 -7.124 -11.426 11.944 136 HA LYS 17 HA LYS 17 -5.589 -13.260 13.565 137 HB2 LYS 17 2HB LYS 17 -6.852 -14.114 10.964 138 HB3 LYS 17 3HB LYS 17 -5.435 -14.915 11.630 139 HG2 LYS 17 2HG LYS 17 -6.736 -15.398 13.684 140 HG3 LYS 17 3HG LYS 17 -8.158 -14.711 12.896 141 HD2 LYS 17 2HD LYS 17 -7.540 -16.422 11.002 142 HD3 LYS 17 3HD LYS 17 -6.697 -17.247 12.315 143 HE2 LYS 17 2HE LYS 17 -8.781 -18.226 12.412 144 HE3 LYS 17 3HE LYS 17 -8.946 -16.925 13.590 145 HZ1 LYS 17 1HZ LYS 17 -10.006 -15.576 11.871 146 HZ2 LYS 17 2HZ LYS 17 -10.861 -17.010 12.145 147 HZ3 LYS 17 3HZ LYS 17 -9.884 -16.857 10.772 148 H CYS 18 H CYS 18 -3.435 -13.193 13.104 149 HA CYS 18 HA CYS 18 -2.620 -11.244 11.081 150 HB2 CYS 18 2HB CYS 18 -0.872 -12.537 13.175 151 HB3 CYS 18 3HB CYS 18 -0.553 -11.065 12.264 152 H GLN 19 H GLN 19 -1.451 -11.751 9.316 153 HA GLN 19 HA GLN 19 -0.320 -14.447 9.094 154 HB2 GLN 19 2HB GLN 19 -1.268 -13.887 6.538 155 HB3 GLN 19 3HB GLN 19 -1.930 -15.058 7.670 156 HG2 GLN 19 2HG GLN 19 -2.780 -12.203 7.826 157 HG3 GLN 19 3HG GLN 19 -3.467 -13.263 6.596 158 HE21 GLN 19 1HE2 GLN 19 -5.425 -12.623 7.873 159 HE22 GLN 19 2HE2 GLN 19 -5.864 -13.638 9.200 160 H ARG 20 H ARG 20 0.792 -14.478 6.716 161 HA ARG 20 HA ARG 20 2.576 -12.139 6.723 162 HB2 ARG 20 2HB ARG 20 3.016 -15.025 6.000 163 HB3 ARG 20 3HB ARG 20 4.109 -13.768 5.435 164 HG2 ARG 20 2HG ARG 20 4.828 -13.255 7.596 165 HG3 ARG 20 3HG ARG 20 3.456 -14.078 8.342 166 HD2 ARG 20 2HD ARG 20 4.412 -16.202 7.248 167 HD3 ARG 20 3HD ARG 20 5.889 -15.260 7.046 168 HE ARG 20 HE ARG 20 5.088 -15.038 9.708 169 HH11 ARG 20 1HH1 ARG 20 6.230 -17.475 7.500 170 HH12 ARG 20 2HH1 ARG 20 6.981 -18.429 8.736 171 HH21 ARG 20 1HH2 ARG 20 6.072 -16.285 11.345 172 HH22 ARG 20 2HH2 ARG 20 6.889 -17.752 10.923 173 H MET 21 H MET 21 2.483 -10.796 5.053 174 HA MET 21 HA MET 21 1.507 -11.819 2.471 175 HB2 MET 21 2HB MET 21 0.412 -9.613 2.113 176 HB3 MET 21 3HB MET 21 -0.290 -10.536 3.435 177 HG2 MET 21 2HG MET 21 -0.167 -8.508 4.432 178 HG3 MET 21 3HG MET 21 1.427 -9.127 4.859 179 HE1 MET 21 1HE MET 21 -0.033 -5.704 3.711 180 HE2 MET 21 2HE MET 21 0.669 -6.384 5.178 181 HE3 MET 21 3HE MET 21 1.594 -5.238 4.207 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -2.806 -7.829 -4.061 2 HA2 GLY 1 2HA GLY 1 -1.980 -5.807 -3.228 3 HA3 GLY 1 3HA GLY 1 -0.489 -6.624 -2.785 4 H SER 2 H SER 2 0.686 -4.856 -3.672 5 HA SER 2 HA SER 2 0.603 -4.658 -6.604 6 HB2 SER 2 2HB SER 2 2.035 -2.769 -4.736 7 HB3 SER 2 3HB SER 2 1.572 -2.495 -6.415 8 HG SER 2 HG SER 2 0.029 -2.393 -4.095 9 H LYS 3 H LYS 3 3.025 -4.536 -3.986 10 HA LYS 3 HA LYS 3 4.804 -6.157 -5.679 11 HB2 LYS 3 2HB LYS 3 5.231 -3.470 -4.683 12 HB3 LYS 3 3HB LYS 3 6.472 -4.568 -4.092 13 HG2 LYS 3 2HG LYS 3 5.807 -4.706 -6.973 14 HG3 LYS 3 3HG LYS 3 6.676 -3.279 -6.405 15 HD2 LYS 3 2HD LYS 3 8.398 -4.713 -5.428 16 HD3 LYS 3 3HD LYS 3 7.523 -6.145 -5.975 17 HE2 LYS 3 2HE LYS 3 7.717 -5.001 -8.318 18 HE3 LYS 3 3HE LYS 3 9.045 -4.123 -7.562 19 HZ1 LYS 3 1HZ LYS 3 9.848 -6.441 -6.875 20 HZ2 LYS 3 2HZ LYS 3 10.064 -5.967 -8.484 21 HZ3 LYS 3 3HZ LYS 3 8.803 -7.017 -8.074 22 H LYS 4 H LYS 4 6.563 -7.213 -4.416 23 HA LYS 4 HA LYS 4 5.589 -7.966 -1.738 24 HB2 LYS 4 2HB LYS 4 6.721 -9.564 -3.981 25 HB3 LYS 4 3HB LYS 4 7.115 -10.066 -2.343 26 HG2 LYS 4 2HG LYS 4 4.521 -9.856 -1.997 27 HG3 LYS 4 3HG LYS 4 4.495 -10.063 -3.749 28 HD2 LYS 4 2HD LYS 4 6.178 -11.930 -2.170 29 HD3 LYS 4 3HD LYS 4 4.427 -12.127 -2.072 30 HE2 LYS 4 2HE LYS 4 5.491 -11.754 -4.786 31 HE3 LYS 4 3HE LYS 4 6.002 -13.238 -3.984 32 HZ1 LYS 4 1HZ LYS 4 3.203 -12.713 -3.670 33 HZ2 LYS 4 2HZ LYS 4 3.984 -14.116 -4.202 34 HZ3 LYS 4 3HZ LYS 4 3.651 -12.868 -5.295 35 HA PRO 5 HA PRO 5 9.682 -5.917 -1.121 36 HB2 PRO 5 2HB PRO 5 8.951 -4.659 1.172 37 HB3 PRO 5 3HB PRO 5 8.648 -3.983 -0.433 38 HG2 PRO 5 2HG PRO 5 6.785 -5.469 1.378 39 HG3 PRO 5 3HG PRO 5 6.481 -4.016 0.408 40 HD2 PRO 5 2HD PRO 5 5.691 -6.484 -0.378 41 HD3 PRO 5 3HD PRO 5 6.172 -5.223 -1.531 42 H VAL 6 H VAL 6 8.249 -6.223 2.040 43 HA VAL 6 HA VAL 6 10.115 -8.427 2.636 44 HB VAL 6 HB VAL 6 9.076 -6.333 4.551 45 HG11 VAL 6 1HG1 VAL 6 10.636 -7.257 6.138 46 HG12 VAL 6 2HG1 VAL 6 9.579 -8.543 5.554 47 HG13 VAL 6 3HG1 VAL 6 11.228 -8.409 4.942 48 HG21 VAL 6 1HG2 VAL 6 11.861 -6.162 4.314 49 HG22 VAL 6 2HG2 VAL 6 11.245 -6.265 2.665 50 HG23 VAL 6 3HG2 VAL 6 10.663 -4.999 3.746 51 HA PRO 7 HA PRO 7 6.542 -10.864 3.555 52 HB2 PRO 7 2HB PRO 7 7.815 -12.885 4.844 53 HB3 PRO 7 3HB PRO 7 7.865 -12.684 3.089 54 HG2 PRO 7 2HG PRO 7 9.895 -11.898 5.144 55 HG3 PRO 7 3HG PRO 7 10.141 -12.664 3.564 56 HD2 PRO 7 2HD PRO 7 10.529 -10.016 3.975 57 HD3 PRO 7 3HD PRO 7 9.956 -10.668 2.426 58 H ILE 8 H ILE 8 7.069 -8.651 5.323 59 HA ILE 8 HA ILE 8 7.258 -9.415 8.020 60 HB ILE 8 HB ILE 8 6.625 -7.241 8.589 61 HG12 ILE 8 2HG1 ILE 8 4.428 -7.229 7.516 62 HG13 ILE 8 3HG1 ILE 8 5.312 -5.758 7.121 63 HG21 ILE 8 1HG2 ILE 8 7.886 -5.818 7.151 64 HG22 ILE 8 2HG2 ILE 8 8.661 -7.402 7.146 65 HG23 ILE 8 3HG2 ILE 8 7.659 -6.906 5.782 66 HD11 ILE 8 1HD1 ILE 8 4.983 -8.161 5.341 67 HD12 ILE 8 2HD1 ILE 8 4.150 -6.615 5.181 68 HD13 ILE 8 3HD1 ILE 8 5.895 -6.705 4.944 69 H ILE 9 H ILE 9 5.476 -9.142 9.638 70 HA ILE 9 HA ILE 9 3.171 -10.695 8.758 71 HB ILE 9 HB ILE 9 4.183 -11.539 10.739 72 HG12 ILE 9 2HG1 ILE 9 2.345 -11.340 12.390 73 HG13 ILE 9 3HG1 ILE 9 1.689 -9.988 11.473 74 HG21 ILE 9 1HG2 ILE 9 5.457 -9.697 11.507 75 HG22 ILE 9 2HG2 ILE 9 4.015 -8.714 11.758 76 HG23 ILE 9 3HG2 ILE 9 4.332 -10.098 12.804 77 HD11 ILE 9 1HD1 ILE 9 2.060 -12.224 9.736 78 HD12 ILE 9 2HD1 ILE 9 1.139 -12.716 11.159 79 HD13 ILE 9 3HD1 ILE 9 0.576 -11.372 10.164 80 H TYR 10 H TYR 10 1.070 -10.013 8.862 81 HA TYR 10 HA TYR 10 0.568 -7.264 9.768 82 HB2 TYR 10 2HB TYR 10 -0.469 -6.611 7.803 83 HB3 TYR 10 3HB TYR 10 0.841 -7.611 7.186 84 HD1 TYR 10 HD1 TYR 10 0.343 -9.963 6.464 85 HD2 TYR 10 HD2 TYR 10 -2.732 -7.180 7.411 86 HE1 TYR 10 HE1 TYR 10 -1.285 -11.364 5.265 87 HE2 TYR 10 HE2 TYR 10 -4.369 -8.574 6.216 88 HH TYR 10 HH TYR 10 -4.246 -10.321 4.297 89 H CYS 11 H CYS 11 -1.239 -7.019 10.940 90 HA CYS 11 HA CYS 11 -2.913 -9.382 11.353 91 HB2 CYS 11 2HB CYS 11 -2.528 -6.837 12.929 92 HB3 CYS 11 3HB CYS 11 -3.796 -8.000 13.303 93 H ASN 12 H ASN 12 -4.707 -9.540 10.195 94 HA ASN 12 HA ASN 12 -5.964 -7.143 9.114 95 HB2 ASN 12 2HB ASN 12 -5.514 -9.556 7.982 96 HB3 ASN 12 3HB ASN 12 -7.153 -9.802 8.577 97 HD21 ASN 12 1HD2 ASN 12 -8.080 -7.165 8.293 98 HD22 ASN 12 2HD2 ASN 12 -8.211 -6.822 6.605 99 H ARG 13 H ARG 13 -6.969 -6.225 10.894 100 HA ARG 13 HA ARG 13 -8.417 -7.428 12.887 101 HB2 ARG 13 2HB ARG 13 -8.895 -5.320 13.477 102 HB3 ARG 13 3HB ARG 13 -7.976 -4.828 12.060 103 HG2 ARG 13 2HG ARG 13 -10.055 -4.841 10.739 104 HG3 ARG 13 3HG ARG 13 -10.953 -5.254 12.201 105 HD2 ARG 13 2HD ARG 13 -9.221 -2.804 11.963 106 HD3 ARG 13 3HD ARG 13 -10.939 -2.812 11.568 107 HE ARG 13 HE ARG 13 -9.773 -2.780 14.179 108 HH11 ARG 13 1HH1 ARG 13 -12.546 -3.800 12.337 109 HH12 ARG 13 2HH1 ARG 13 -13.619 -3.785 13.698 110 HH21 ARG 13 1HH2 ARG 13 -11.175 -2.757 15.978 111 HH22 ARG 13 2HH2 ARG 13 -12.838 -3.191 15.768 112 H ARG 14 H ARG 14 -9.388 -6.805 9.579 113 HA ARG 14 HA ARG 14 -12.136 -7.151 9.774 114 HB2 ARG 14 2HB ARG 14 -10.248 -7.922 7.544 115 HB3 ARG 14 3HB ARG 14 -12.000 -7.925 7.393 116 HG2 ARG 14 2HG ARG 14 -10.268 -5.531 7.973 117 HG3 ARG 14 3HG ARG 14 -11.065 -5.906 6.444 118 HD2 ARG 14 2HD ARG 14 -12.355 -5.205 9.073 119 HD3 ARG 14 3HD ARG 14 -12.388 -4.275 7.575 120 HE ARG 14 HE ARG 14 -14.111 -6.429 8.288 121 HH11 ARG 14 1HH1 ARG 14 -12.543 -4.879 5.594 122 HH12 ARG 14 2HH1 ARG 14 -13.728 -5.395 4.440 123 HH21 ARG 14 1HH2 ARG 14 -15.677 -7.114 6.779 124 HH22 ARG 14 2HH2 ARG 14 -15.510 -6.665 5.115 125 H THR 15 H THR 15 -9.579 -9.574 9.440 126 HA THR 15 HA THR 15 -11.587 -11.687 9.844 127 HB THR 15 HB THR 15 -10.449 -13.015 8.442 128 HG1 THR 15 HG1 THR 15 -8.446 -13.623 8.910 129 HG21 THR 15 1HG2 THR 15 -8.875 -10.497 7.881 130 HG22 THR 15 2HG2 THR 15 -10.425 -10.934 7.161 131 HG23 THR 15 3HG2 THR 15 -8.989 -11.897 6.816 132 H GLY 16 H GLY 16 -9.744 -9.850 11.698 133 HA2 GLY 16 2HA GLY 16 -8.638 -10.088 13.705 134 HA3 GLY 16 3HA GLY 16 -9.834 -11.344 13.987 135 H LYS 17 H LYS 17 -7.113 -11.198 11.706 136 HA LYS 17 HA LYS 17 -5.631 -13.176 13.204 137 HB2 LYS 17 2HB LYS 17 -6.921 -13.824 10.557 138 HB3 LYS 17 3HB LYS 17 -5.527 -14.707 11.166 139 HG2 LYS 17 2HG LYS 17 -6.838 -15.285 13.188 140 HG3 LYS 17 3HG LYS 17 -8.241 -14.504 12.454 141 HD2 LYS 17 2HD LYS 17 -8.424 -16.119 10.789 142 HD3 LYS 17 3HD LYS 17 -6.753 -16.652 10.988 143 HE2 LYS 17 2HE LYS 17 -7.404 -18.232 12.406 144 HE3 LYS 17 3HE LYS 17 -8.130 -17.016 13.457 145 HZ1 LYS 17 1HZ LYS 17 -10.170 -17.169 12.251 146 HZ2 LYS 17 2HZ LYS 17 -9.705 -18.736 12.686 147 HZ3 LYS 17 3HZ LYS 17 -9.486 -18.199 11.096 148 H CYS 18 H CYS 18 -3.475 -13.154 12.732 149 HA CYS 18 HA CYS 18 -2.604 -11.099 10.841 150 HB2 CYS 18 2HB CYS 18 -0.892 -12.584 12.835 151 HB3 CYS 18 3HB CYS 18 -0.530 -11.064 12.024 152 H GLN 19 H GLN 19 -1.462 -11.524 9.038 153 HA GLN 19 HA GLN 19 -0.415 -14.232 8.632 154 HB2 GLN 19 2HB GLN 19 -1.358 -13.474 6.124 155 HB3 GLN 19 3HB GLN 19 -2.048 -14.700 7.180 156 HG2 GLN 19 2HG GLN 19 -2.813 -11.838 7.531 157 HG3 GLN 19 3HG GLN 19 -3.539 -12.795 6.240 158 HE21 GLN 19 1HE2 GLN 19 -5.467 -12.180 7.578 159 HE22 GLN 19 2HE2 GLN 19 -5.927 -13.268 8.838 160 H ARG 20 H ARG 20 0.686 -14.141 6.251 161 HA ARG 20 HA ARG 20 2.500 -11.824 6.364 162 HB2 ARG 20 2HB ARG 20 3.023 -14.623 5.346 163 HB3 ARG 20 3HB ARG 20 4.176 -13.296 5.291 164 HG2 ARG 20 2HG ARG 20 4.536 -13.334 7.566 165 HG3 ARG 20 3HG ARG 20 2.987 -14.110 7.902 166 HD2 ARG 20 2HD ARG 20 3.828 -16.174 7.633 167 HD3 ARG 20 3HD ARG 20 4.789 -15.701 6.232 168 HE ARG 20 HE ARG 20 6.127 -14.571 8.281 169 HH11 ARG 20 1HH1 ARG 20 4.937 -17.794 7.722 170 HH12 ARG 20 2HH1 ARG 20 6.190 -18.557 8.644 171 HH21 ARG 20 1HH2 ARG 20 7.782 -15.563 9.498 172 HH22 ARG 20 2HH2 ARG 20 7.807 -17.287 9.655 173 H MET 21 H MET 21 2.449 -10.458 4.710 174 HA MET 21 HA MET 21 1.303 -11.392 2.161 175 HB2 MET 21 2HB MET 21 0.813 -8.896 1.821 176 HB3 MET 21 3HB MET 21 -0.187 -9.772 2.972 177 HG2 MET 21 2HG MET 21 1.205 -8.899 4.805 178 HG3 MET 21 3HG MET 21 2.131 -7.970 3.628 179 HE1 MET 21 1HE MET 21 0.776 -4.947 3.207 180 HE2 MET 21 2HE MET 21 1.543 -6.291 2.360 181 HE3 MET 21 3HE MET 21 -0.101 -5.805 1.940 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -4.342 -8.643 1.257 2 HA2 GLY 1 2HA GLY 1 -2.472 -6.904 1.012 3 HA3 GLY 1 3HA GLY 1 -2.210 -8.436 0.191 4 H SER 2 H SER 2 -0.913 -6.189 -0.673 5 HA SER 2 HA SER 2 -2.192 -5.754 -3.282 6 HB2 SER 2 2HB SER 2 -1.417 -3.729 -1.287 7 HB3 SER 2 3HB SER 2 -0.845 -3.403 -2.923 8 HG SER 2 HG SER 2 -2.916 -2.528 -2.591 9 H LYS 3 H LYS 3 0.822 -5.304 -1.439 10 HA LYS 3 HA LYS 3 2.297 -6.259 -3.803 11 HB2 LYS 3 2HB LYS 3 2.454 -3.707 -2.734 12 HB3 LYS 3 3HB LYS 3 3.844 -4.528 -2.036 13 HG2 LYS 3 2HG LYS 3 4.833 -4.888 -4.096 14 HG3 LYS 3 3HG LYS 3 3.311 -4.704 -4.971 15 HD2 LYS 3 2HD LYS 3 3.324 -2.287 -4.253 16 HD3 LYS 3 3HD LYS 3 4.970 -2.549 -3.674 17 HE2 LYS 3 2HE LYS 3 5.832 -2.626 -5.762 18 HE3 LYS 3 3HE LYS 3 4.418 -3.441 -6.429 19 HZ1 LYS 3 1HZ LYS 3 4.626 -0.550 -5.785 20 HZ2 LYS 3 2HZ LYS 3 3.235 -1.318 -6.364 21 HZ3 LYS 3 3HZ LYS 3 4.618 -1.230 -7.335 22 H LYS 4 H LYS 4 4.458 -7.161 -3.260 23 HA LYS 4 HA LYS 4 4.362 -8.563 -0.669 24 HB2 LYS 4 2HB LYS 4 5.741 -10.325 -1.832 25 HB3 LYS 4 3HB LYS 4 4.086 -10.168 -2.406 26 HG2 LYS 4 2HG LYS 4 6.129 -8.580 -3.828 27 HG3 LYS 4 3HG LYS 4 6.195 -10.332 -4.035 28 HD2 LYS 4 2HD LYS 4 4.129 -10.421 -5.058 29 HD3 LYS 4 3HD LYS 4 3.577 -8.921 -4.310 30 HE2 LYS 4 2HE LYS 4 4.449 -7.641 -5.944 31 HE3 LYS 4 3HE LYS 4 5.895 -8.637 -6.092 32 HZ1 LYS 4 1HZ LYS 4 3.267 -8.997 -7.382 33 HZ2 LYS 4 2HZ LYS 4 4.317 -10.309 -7.193 34 HZ3 LYS 4 3HZ LYS 4 4.803 -8.960 -8.091 35 HA PRO 5 HA PRO 5 8.111 -5.866 -0.550 36 HB2 PRO 5 2HB PRO 5 7.831 -5.224 2.073 37 HB3 PRO 5 3HB PRO 5 7.014 -4.344 0.777 38 HG2 PRO 5 2HG PRO 5 5.948 -6.483 2.578 39 HG3 PRO 5 3HG PRO 5 5.179 -4.972 2.059 40 HD2 PRO 5 2HD PRO 5 4.595 -7.364 0.933 41 HD3 PRO 5 3HD PRO 5 4.554 -5.843 0.019 42 H VAL 6 H VAL 6 7.632 -7.030 2.700 43 HA VAL 6 HA VAL 6 9.819 -8.970 2.311 44 HB VAL 6 HB VAL 6 9.917 -8.295 4.990 45 HG11 VAL 6 1HG1 VAL 6 12.017 -8.415 4.255 46 HG12 VAL 6 2HG1 VAL 6 11.545 -7.995 2.607 47 HG13 VAL 6 3HG1 VAL 6 11.851 -6.722 3.790 48 HG21 VAL 6 1HG2 VAL 6 9.912 -5.931 5.183 49 HG22 VAL 6 2HG2 VAL 6 9.721 -5.719 3.443 50 HG23 VAL 6 3HG2 VAL 6 8.393 -6.372 4.403 51 HA PRO 7 HA PRO 7 7.314 -12.072 4.146 52 HB2 PRO 7 2HB PRO 7 9.142 -13.508 5.548 53 HB3 PRO 7 3HB PRO 7 9.048 -13.536 3.783 54 HG2 PRO 7 2HG PRO 7 10.898 -11.989 5.557 55 HG3 PRO 7 3HG PRO 7 11.258 -12.869 4.060 56 HD2 PRO 7 2HD PRO 7 10.950 -10.180 4.131 57 HD3 PRO 7 3HD PRO 7 10.493 -11.157 2.721 58 H ILE 8 H ILE 8 7.501 -9.535 5.633 59 HA ILE 8 HA ILE 8 7.800 -10.184 8.411 60 HB ILE 8 HB ILE 8 7.354 -7.962 8.880 61 HG12 ILE 8 2HG1 ILE 8 5.118 -7.830 7.950 62 HG13 ILE 8 3HG1 ILE 8 6.065 -6.463 7.373 63 HG21 ILE 8 1HG2 ILE 8 8.588 -6.643 7.303 64 HG22 ILE 8 2HG2 ILE 8 9.312 -8.249 7.373 65 HG23 ILE 8 3HG2 ILE 8 8.276 -7.808 6.016 66 HD11 ILE 8 1HD1 ILE 8 5.467 -8.970 5.822 67 HD12 ILE 8 2HD1 ILE 8 4.693 -7.400 5.605 68 HD13 ILE 8 3HD1 ILE 8 6.408 -7.596 5.244 69 H ILE 9 H ILE 9 5.901 -9.465 9.908 70 HA ILE 9 HA ILE 9 3.604 -11.092 9.134 71 HB ILE 9 HB ILE 9 4.499 -11.643 11.281 72 HG12 ILE 9 2HG1 ILE 9 2.550 -11.229 12.743 73 HG13 ILE 9 3HG1 ILE 9 1.974 -10.007 11.614 74 HG21 ILE 9 1HG2 ILE 9 4.530 -9.930 13.118 75 HG22 ILE 9 2HG2 ILE 9 5.722 -9.686 11.842 76 HG23 ILE 9 3HG2 ILE 9 4.258 -8.703 11.880 77 HD11 ILE 9 1HD1 ILE 9 0.901 -11.564 10.477 78 HD12 ILE 9 2HD1 ILE 9 2.419 -12.410 10.174 79 HD13 ILE 9 3HD1 ILE 9 1.472 -12.784 11.614 80 H TYR 10 H TYR 10 1.524 -10.344 9.017 81 HA TYR 10 HA TYR 10 1.070 -7.482 9.483 82 HB2 TYR 10 2HB TYR 10 0.212 -7.074 7.378 83 HB3 TYR 10 3HB TYR 10 1.493 -8.218 6.995 84 HD1 TYR 10 HD1 TYR 10 -2.037 -7.556 6.865 85 HD2 TYR 10 HD2 TYR 10 0.880 -10.644 6.639 86 HE1 TYR 10 HE1 TYR 10 -3.683 -9.022 5.773 87 HE2 TYR 10 HE2 TYR 10 -0.757 -12.119 5.546 88 HH TYR 10 HH TYR 10 -2.953 -11.667 4.084 89 H CYS 11 H CYS 11 -0.822 -7.011 10.443 90 HA CYS 11 HA CYS 11 -2.610 -9.252 11.048 91 HB2 CYS 11 2HB CYS 11 -1.982 -6.654 12.386 92 HB3 CYS 11 3HB CYS 11 -3.557 -7.390 12.666 93 H ASN 12 H ASN 12 -4.294 -9.475 9.739 94 HA ASN 12 HA ASN 12 -5.342 -7.226 8.250 95 HB2 ASN 12 2HB ASN 12 -5.119 -9.886 7.680 96 HB3 ASN 12 3HB ASN 12 -6.813 -9.777 8.148 97 HD21 ASN 12 1HD2 ASN 12 -7.318 -7.169 7.247 98 HD22 ASN 12 2HD2 ASN 12 -7.277 -7.179 5.519 99 H ARG 13 H ARG 13 -6.374 -5.868 9.664 100 HA ARG 13 HA ARG 13 -7.962 -6.505 11.822 101 HB2 ARG 13 2HB ARG 13 -8.214 -4.287 11.928 102 HB3 ARG 13 3HB ARG 13 -7.307 -4.184 10.425 103 HG2 ARG 13 2HG ARG 13 -9.404 -4.310 9.162 104 HG3 ARG 13 3HG ARG 13 -10.301 -4.375 10.681 105 HD2 ARG 13 2HD ARG 13 -9.257 -2.180 11.286 106 HD3 ARG 13 3HD ARG 13 -8.598 -2.113 9.652 107 HE ARG 13 HE ARG 13 -10.666 -1.511 8.887 108 HH11 ARG 13 1HH1 ARG 13 -10.991 -2.867 12.077 109 HH12 ARG 13 2HH1 ARG 13 -12.670 -2.464 12.219 110 HH21 ARG 13 1HH2 ARG 13 -12.876 -0.975 9.062 111 HH22 ARG 13 2HH2 ARG 13 -13.741 -1.389 10.503 112 H ARG 14 H ARG 14 -8.708 -6.711 8.434 113 HA ARG 14 HA ARG 14 -11.489 -6.710 8.488 114 HB2 ARG 14 2HB ARG 14 -9.437 -7.937 6.698 115 HB3 ARG 14 3HB ARG 14 -11.119 -8.409 6.497 116 HG2 ARG 14 2HG ARG 14 -11.668 -6.474 5.528 117 HG3 ARG 14 3HG ARG 14 -10.728 -5.522 6.680 118 HD2 ARG 14 2HD ARG 14 -9.950 -5.408 4.290 119 HD3 ARG 14 3HD ARG 14 -8.722 -5.872 5.466 120 HE ARG 14 HE ARG 14 -9.916 -8.190 4.425 121 HH11 ARG 14 1HH1 ARG 14 -7.819 -5.586 3.455 122 HH12 ARG 14 2HH1 ARG 14 -6.987 -6.527 2.261 123 HH21 ARG 14 1HH2 ARG 14 -8.829 -9.438 2.856 124 HH22 ARG 14 2HH2 ARG 14 -7.564 -8.717 1.920 125 H THR 15 H THR 15 -9.217 -9.376 9.010 126 HA THR 15 HA THR 15 -11.475 -11.031 9.930 127 HB THR 15 HB THR 15 -10.500 -12.183 8.121 128 HG1 THR 15 HG1 THR 15 -10.754 -13.551 9.916 129 HG21 THR 15 1HG2 THR 15 -8.108 -12.547 7.849 130 HG22 THR 15 2HG2 THR 15 -7.786 -11.670 9.345 131 HG23 THR 15 3HG2 THR 15 -8.454 -10.821 7.952 132 H GLY 16 H GLY 16 -9.351 -9.052 11.212 133 HA2 GLY 16 2HA GLY 16 -8.165 -8.917 13.183 134 HA3 GLY 16 3HA GLY 16 -9.472 -9.913 13.804 135 H LYS 17 H LYS 17 -6.686 -10.465 11.647 136 HA LYS 17 HA LYS 17 -5.526 -12.329 13.522 137 HB2 LYS 17 2HB LYS 17 -6.723 -13.245 10.912 138 HB3 LYS 17 3HB LYS 17 -5.467 -14.157 11.739 139 HG2 LYS 17 2HG LYS 17 -6.949 -14.274 13.732 140 HG3 LYS 17 3HG LYS 17 -8.218 -13.508 12.773 141 HD2 LYS 17 2HD LYS 17 -7.716 -15.450 11.096 142 HD3 LYS 17 3HD LYS 17 -7.026 -16.236 12.517 143 HE2 LYS 17 2HE LYS 17 -9.067 -16.319 13.617 144 HE3 LYS 17 3HE LYS 17 -9.758 -15.023 12.642 145 HZ1 LYS 17 1HZ LYS 17 -9.165 -16.997 10.846 146 HZ2 LYS 17 2HZ LYS 17 -10.700 -16.624 11.451 147 HZ3 LYS 17 3HZ LYS 17 -9.775 -17.838 12.181 148 H CYS 18 H CYS 18 -3.363 -12.772 13.106 149 HA CYS 18 HA CYS 18 -2.133 -11.009 11.122 150 HB2 CYS 18 2HB CYS 18 -1.414 -11.947 13.767 151 HB3 CYS 18 3HB CYS 18 -0.113 -12.244 12.618 152 H GLN 19 H GLN 19 -0.988 -11.724 9.410 153 HA GLN 19 HA GLN 19 -0.307 -14.561 9.227 154 HB2 GLN 19 2HB GLN 19 -1.188 -13.958 6.663 155 HB3 GLN 19 3HB GLN 19 -2.010 -14.975 7.839 156 HG2 GLN 19 2HG GLN 19 -2.429 -12.026 7.913 157 HG3 GLN 19 3HG GLN 19 -3.255 -12.994 6.692 158 HE21 GLN 19 1HE2 GLN 19 -5.090 -12.015 7.964 159 HE22 GLN 19 2HE2 GLN 19 -5.695 -12.942 9.291 160 H ARG 20 H ARG 20 0.779 -14.816 6.858 161 HA ARG 20 HA ARG 20 2.818 -12.693 6.736 162 HB2 ARG 20 2HB ARG 20 3.113 -15.584 5.904 163 HB3 ARG 20 3HB ARG 20 4.385 -14.371 5.955 164 HG2 ARG 20 2HG ARG 20 4.825 -14.881 8.060 165 HG3 ARG 20 3HG ARG 20 3.159 -14.525 8.523 166 HD2 ARG 20 2HD ARG 20 3.882 -16.832 9.090 167 HD3 ARG 20 3HD ARG 20 2.479 -16.770 8.024 168 HE ARG 20 HE ARG 20 3.709 -17.827 6.414 169 HH11 ARG 20 1HH1 ARG 20 5.870 -16.520 8.810 170 HH12 ARG 20 2HH1 ARG 20 7.278 -17.276 8.141 171 HH21 ARG 20 1HH2 ARG 20 5.556 -18.828 5.524 172 HH22 ARG 20 2HH2 ARG 20 7.098 -18.588 6.272 173 H MET 21 H MET 21 2.893 -11.515 4.945 174 HA MET 21 HA MET 21 1.622 -12.587 2.513 175 HB2 MET 21 2HB MET 21 1.440 -10.105 1.893 176 HB3 MET 21 3HB MET 21 0.359 -10.712 3.140 177 HG2 MET 21 2HG MET 21 1.875 -9.816 4.856 178 HG3 MET 21 3HG MET 21 2.897 -9.158 3.580 179 HE1 MET 21 1HE MET 21 2.492 -7.264 2.201 180 HE2 MET 21 2HE MET 21 1.437 -5.927 2.658 181 HE3 MET 21 3HE MET 21 2.727 -6.444 3.745 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -3.591 -5.998 0.003 2 HA2 GLY 1 2HA GLY 1 -1.899 -6.849 -1.526 3 HA3 GLY 1 3HA GLY 1 -3.461 -6.938 -2.326 4 H SER 2 H SER 2 -0.420 -5.243 -2.131 5 HA SER 2 HA SER 2 -1.053 -3.938 -4.697 6 HB2 SER 2 2HB SER 2 0.318 -2.837 -2.264 7 HB3 SER 2 3HB SER 2 0.712 -2.201 -3.861 8 HG SER 2 HG SER 2 -1.012 -1.036 -3.630 9 H LYS 3 H LYS 3 1.754 -4.699 -2.627 10 HA LYS 3 HA LYS 3 3.028 -5.993 -4.926 11 HB2 LYS 3 2HB LYS 3 5.195 -4.876 -4.284 12 HB3 LYS 3 3HB LYS 3 3.991 -3.817 -5.006 13 HG2 LYS 3 2HG LYS 3 3.709 -2.616 -3.112 14 HG3 LYS 3 3HG LYS 3 3.989 -4.004 -2.058 15 HD2 LYS 3 2HD LYS 3 6.042 -3.229 -1.689 16 HD3 LYS 3 3HD LYS 3 6.417 -3.552 -3.384 17 HE2 LYS 3 2HE LYS 3 5.317 -0.990 -2.233 18 HE3 LYS 3 3HE LYS 3 6.949 -1.254 -2.844 19 HZ1 LYS 3 1HZ LYS 3 6.134 -0.473 -4.751 20 HZ2 LYS 3 2HZ LYS 3 4.524 -0.691 -4.282 21 HZ3 LYS 3 3HZ LYS 3 5.398 -1.985 -4.931 22 H LYS 4 H LYS 4 5.083 -7.153 -4.203 23 HA LYS 4 HA LYS 4 4.630 -8.332 -1.539 24 HB2 LYS 4 2HB LYS 4 5.215 -9.550 -4.181 25 HB3 LYS 4 3HB LYS 4 6.013 -10.270 -2.789 26 HG2 LYS 4 2HG LYS 4 3.660 -10.323 -1.743 27 HG3 LYS 4 3HG LYS 4 3.091 -10.084 -3.397 28 HD2 LYS 4 2HD LYS 4 4.590 -12.073 -3.998 29 HD3 LYS 4 3HD LYS 4 4.655 -12.384 -2.262 30 HE2 LYS 4 2HE LYS 4 2.905 -13.717 -3.248 31 HE3 LYS 4 3HE LYS 4 2.186 -12.475 -2.225 32 HZ1 LYS 4 1HZ LYS 4 1.334 -11.367 -4.004 33 HZ2 LYS 4 2HZ LYS 4 1.290 -12.939 -4.626 34 HZ3 LYS 4 3HZ LYS 4 2.538 -11.889 -5.072 35 HA PRO 5 HA PRO 5 8.793 -6.332 -1.438 36 HB2 PRO 5 2HB PRO 5 8.545 -5.447 1.117 37 HB3 PRO 5 3HB PRO 5 7.941 -4.541 -0.277 38 HG2 PRO 5 2HG PRO 5 6.451 -6.313 1.621 39 HG3 PRO 5 3HG PRO 5 5.982 -4.736 0.960 40 HD2 PRO 5 2HD PRO 5 5.019 -7.070 -0.018 41 HD3 PRO 5 3HD PRO 5 5.280 -5.642 -1.040 42 H VAL 6 H VAL 6 8.006 -7.135 1.860 43 HA VAL 6 HA VAL 6 9.830 -9.448 1.715 44 HB VAL 6 HB VAL 6 9.974 -8.632 4.334 45 HG11 VAL 6 1HG1 VAL 6 11.939 -7.507 2.407 46 HG12 VAL 6 2HG1 VAL 6 12.206 -8.394 3.910 47 HG13 VAL 6 3HG1 VAL 6 11.718 -9.256 2.450 48 HG21 VAL 6 1HG2 VAL 6 10.400 -6.254 4.348 49 HG22 VAL 6 2HG2 VAL 6 10.057 -6.150 2.621 50 HG23 VAL 6 3HG2 VAL 6 8.767 -6.554 3.754 51 HA PRO 7 HA PRO 7 6.774 -11.935 3.647 52 HB2 PRO 7 2HB PRO 7 8.265 -13.504 5.287 53 HB3 PRO 7 3HB PRO 7 8.264 -13.681 3.528 54 HG2 PRO 7 2HG PRO 7 10.241 -12.286 5.290 55 HG3 PRO 7 3HG PRO 7 10.535 -13.348 3.900 56 HD2 PRO 7 2HD PRO 7 10.665 -10.649 3.725 57 HD3 PRO 7 3HD PRO 7 10.133 -11.669 2.373 58 H ILE 8 H ILE 8 7.353 -9.328 4.942 59 HA ILE 8 HA ILE 8 7.527 -9.582 7.732 60 HB ILE 8 HB ILE 8 6.245 -7.329 7.686 61 HG12 ILE 8 2HG1 ILE 8 6.173 -6.199 5.557 62 HG13 ILE 8 3HG1 ILE 8 6.963 -7.554 4.758 63 HG21 ILE 8 1HG2 ILE 8 8.304 -6.166 6.872 64 HG22 ILE 8 2HG2 ILE 8 8.595 -7.415 8.082 65 HG23 ILE 8 3HG2 ILE 8 8.927 -7.742 6.381 66 HD11 ILE 8 1HD1 ILE 8 4.286 -7.796 6.091 67 HD12 ILE 8 2HD1 ILE 8 4.482 -7.333 4.401 68 HD13 ILE 8 3HD1 ILE 8 5.048 -8.909 4.955 69 H ILE 9 H ILE 9 5.655 -8.780 9.186 70 HA ILE 9 HA ILE 9 3.413 -10.584 8.720 71 HB ILE 9 HB ILE 9 4.354 -10.781 10.897 72 HG12 ILE 9 2HG1 ILE 9 2.443 -10.162 12.347 73 HG13 ILE 9 3HG1 ILE 9 1.807 -9.152 11.053 74 HG21 ILE 9 1HG2 ILE 9 4.388 -8.793 12.450 75 HG22 ILE 9 2HG2 ILE 9 5.563 -8.761 11.137 76 HG23 ILE 9 3HG2 ILE 9 4.097 -7.787 11.031 77 HD11 ILE 9 1HD1 ILE 9 1.316 -11.870 11.527 78 HD12 ILE 9 2HD1 ILE 9 0.771 -10.888 10.167 79 HD13 ILE 9 3HD1 ILE 9 2.285 -11.785 10.056 80 H TYR 10 H TYR 10 1.300 -9.958 8.542 81 HA TYR 10 HA TYR 10 0.719 -7.079 8.580 82 HB2 TYR 10 2HB TYR 10 -0.227 -7.052 6.470 83 HB3 TYR 10 3HB TYR 10 1.104 -8.177 6.226 84 HD1 TYR 10 HD1 TYR 10 0.630 -10.645 6.225 85 HD2 TYR 10 HD2 TYR 10 -2.472 -7.734 6.174 86 HE1 TYR 10 HE1 TYR 10 -0.953 -12.355 5.438 87 HE2 TYR 10 HE2 TYR 10 -4.064 -9.436 5.388 88 HH TYR 10 HH TYR 10 -4.299 -11.525 4.625 89 H CYS 11 H CYS 11 -1.141 -6.550 9.560 90 HA CYS 11 HA CYS 11 -2.785 -8.727 10.607 91 HB2 CYS 11 2HB CYS 11 -2.523 -5.810 11.329 92 HB3 CYS 11 3HB CYS 11 -3.801 -6.830 11.984 93 H ASN 12 H ASN 12 -4.529 -9.300 9.505 94 HA ASN 12 HA ASN 12 -5.797 -7.388 7.698 95 HB2 ASN 12 2HB ASN 12 -5.225 -10.069 7.436 96 HB3 ASN 12 3HB ASN 12 -6.942 -10.084 7.828 97 HD21 ASN 12 1HD2 ASN 12 -7.694 -10.673 5.857 98 HD22 ASN 12 2HD2 ASN 12 -7.555 -9.692 4.442 99 H ARG 13 H ARG 13 -7.010 -6.056 8.987 100 HA ARG 13 HA ARG 13 -8.514 -6.748 11.208 101 HB2 ARG 13 2HB ARG 13 -8.170 -4.456 9.576 102 HB3 ARG 13 3HB ARG 13 -9.901 -4.719 9.738 103 HG2 ARG 13 2HG ARG 13 -9.236 -5.010 12.288 104 HG3 ARG 13 3HG ARG 13 -7.891 -3.986 11.784 105 HD2 ARG 13 2HD ARG 13 -9.343 -2.326 12.270 106 HD3 ARG 13 3HD ARG 13 -9.926 -2.660 10.640 107 HE ARG 13 HE ARG 13 -11.363 -4.339 12.246 108 HH11 ARG 13 1HH1 ARG 13 -10.827 -0.902 12.113 109 HH12 ARG 13 2HH1 ARG 13 -12.380 -0.502 12.768 110 HH21 ARG 13 1HH2 ARG 13 -13.411 -3.826 13.110 111 HH22 ARG 13 2HH2 ARG 13 -13.849 -2.166 13.336 112 H ARG 14 H ARG 14 -9.146 -7.315 7.860 113 HA ARG 14 HA ARG 14 -11.924 -7.561 7.856 114 HB2 ARG 14 2HB ARG 14 -9.744 -8.834 6.231 115 HB3 ARG 14 3HB ARG 14 -11.423 -9.300 5.991 116 HG2 ARG 14 2HG ARG 14 -11.589 -7.606 4.573 117 HG3 ARG 14 3HG ARG 14 -11.461 -6.524 5.962 118 HD2 ARG 14 2HD ARG 14 -8.848 -7.167 5.497 119 HD3 ARG 14 3HD ARG 14 -9.513 -7.145 3.864 120 HE ARG 14 HE ARG 14 -10.428 -4.844 5.034 121 HH11 ARG 14 1HH1 ARG 14 -7.305 -6.261 4.436 122 HH12 ARG 14 2HH1 ARG 14 -6.496 -4.736 4.292 123 HH21 ARG 14 1HH2 ARG 14 -9.374 -2.830 4.847 124 HH22 ARG 14 2HH2 ARG 14 -7.674 -2.785 4.526 125 H THR 15 H THR 15 -9.418 -9.867 8.774 126 HA THR 15 HA THR 15 -11.532 -11.681 9.741 127 HB THR 15 HB THR 15 -10.375 -12.864 8.050 128 HG1 THR 15 HG1 THR 15 -10.607 -13.993 10.092 129 HG21 THR 15 1HG2 THR 15 -8.438 -11.342 7.881 130 HG22 THR 15 2HG2 THR 15 -7.955 -13.038 7.911 131 HG23 THR 15 3HG2 THR 15 -7.779 -12.045 9.357 132 H GLY 16 H GLY 16 -9.622 -9.398 10.870 133 HA2 GLY 16 2HA GLY 16 -8.574 -8.949 12.867 134 HA3 GLY 16 3HA GLY 16 -9.741 -10.080 13.536 135 H LYS 17 H LYS 17 -6.969 -10.544 11.353 136 HA LYS 17 HA LYS 17 -5.487 -11.946 13.399 137 HB2 LYS 17 2HB LYS 17 -6.674 -13.382 11.028 138 HB3 LYS 17 3HB LYS 17 -5.279 -14.002 11.902 139 HG2 LYS 17 2HG LYS 17 -6.638 -14.010 13.972 140 HG3 LYS 17 3HG LYS 17 -8.036 -13.520 13.012 141 HD2 LYS 17 2HD LYS 17 -8.275 -15.827 13.133 142 HD3 LYS 17 3HD LYS 17 -7.479 -15.598 11.575 143 HE2 LYS 17 2HE LYS 17 -5.903 -17.008 12.259 144 HE3 LYS 17 3HE LYS 17 -5.409 -15.792 13.437 145 HZ1 LYS 17 1HZ LYS 17 -5.996 -17.209 15.014 146 HZ2 LYS 17 2HZ LYS 17 -6.618 -18.305 13.886 147 HZ3 LYS 17 3HZ LYS 17 -7.608 -17.084 14.513 148 H CYS 18 H CYS 18 -3.325 -11.924 13.017 149 HA CYS 18 HA CYS 18 -2.447 -10.526 10.605 150 HB2 CYS 18 2HB CYS 18 -0.759 -11.235 13.003 151 HB3 CYS 18 3HB CYS 18 -0.439 -10.010 11.780 152 H GLN 19 H GLN 19 -1.232 -11.440 9.053 153 HA GLN 19 HA GLN 19 -0.068 -14.087 9.545 154 HB2 GLN 19 2HB GLN 19 -0.903 -14.211 6.905 155 HB3 GLN 19 3HB GLN 19 -1.641 -15.037 8.271 156 HG2 GLN 19 2HG GLN 19 -2.495 -12.253 7.858 157 HG3 GLN 19 3HG GLN 19 -2.962 -13.395 6.599 158 HE21 GLN 19 1HE2 GLN 19 -2.525 -14.361 9.908 159 HE22 GLN 19 2HE2 GLN 19 -4.192 -14.644 10.259 160 H ARG 20 H ARG 20 1.146 -14.685 7.301 161 HA ARG 20 HA ARG 20 2.879 -12.367 6.754 162 HB2 ARG 20 2HB ARG 20 3.590 -15.295 6.527 163 HB3 ARG 20 3HB ARG 20 4.685 -13.930 6.355 164 HG2 ARG 20 2HG ARG 20 4.605 -13.435 8.646 165 HG3 ARG 20 3HG ARG 20 3.180 -14.446 8.897 166 HD2 ARG 20 2HD ARG 20 5.197 -16.091 7.795 167 HD3 ARG 20 3HD ARG 20 5.939 -15.149 9.088 168 HE ARG 20 HE ARG 20 4.639 -16.272 10.627 169 HH11 ARG 20 1HH1 ARG 20 3.585 -17.020 7.394 170 HH12 ARG 20 2HH1 ARG 20 2.559 -18.324 7.890 171 HH21 ARG 20 1HH2 ARG 20 3.291 -17.987 11.293 172 HH22 ARG 20 2HH2 ARG 20 2.391 -18.873 10.108 173 H MET 21 H MET 21 2.841 -11.568 4.765 174 HA MET 21 HA MET 21 1.857 -13.289 2.584 175 HB2 MET 21 2HB MET 21 1.296 -11.038 1.483 176 HB3 MET 21 3HB MET 21 0.271 -11.579 2.805 177 HG2 MET 21 2HG MET 21 1.546 -10.128 4.340 178 HG3 MET 21 3HG MET 21 2.476 -9.540 2.964 179 HE1 MET 21 1HE MET 21 0.595 -6.596 1.871 180 HE2 MET 21 2HE MET 21 1.882 -6.953 3.023 181 HE3 MET 21 3HE MET 21 1.852 -7.762 1.455 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.727 -9.416 -1.967 2 HA2 GLY 1 2HA GLY 1 -2.331 -7.941 -2.864 3 HA3 GLY 1 3HA GLY 1 -1.338 -6.585 -2.350 4 H SER 2 H SER 2 -0.097 -5.596 -3.821 5 HA SER 2 HA SER 2 -0.082 -6.700 -6.527 6 HB2 SER 2 2HB SER 2 0.974 -4.305 -6.932 7 HB3 SER 2 3HB SER 2 -0.765 -4.503 -6.712 8 HG SER 2 HG SER 2 -0.648 -3.503 -4.853 9 H LYS 3 H LYS 3 2.237 -5.054 -4.371 10 HA LYS 3 HA LYS 3 4.413 -6.468 -5.749 11 HB2 LYS 3 2HB LYS 3 4.121 -3.790 -4.970 12 HB3 LYS 3 3HB LYS 3 5.293 -4.473 -3.849 13 HG2 LYS 3 2HG LYS 3 6.079 -5.412 -6.344 14 HG3 LYS 3 3HG LYS 3 5.604 -3.734 -6.619 15 HD2 LYS 3 2HD LYS 3 7.255 -2.902 -5.267 16 HD3 LYS 3 3HD LYS 3 7.301 -4.345 -4.252 17 HE2 LYS 3 2HE LYS 3 8.108 -5.317 -6.678 18 HE3 LYS 3 3HE LYS 3 8.802 -3.696 -6.681 19 HZ1 LYS 3 1HZ LYS 3 10.038 -5.749 -5.607 20 HZ2 LYS 3 2HZ LYS 3 9.132 -5.287 -4.256 21 HZ3 LYS 3 3HZ LYS 3 10.193 -4.185 -4.980 22 H LYS 4 H LYS 4 6.262 -7.150 -4.373 23 HA LYS 4 HA LYS 4 5.339 -8.097 -1.738 24 HB2 LYS 4 2HB LYS 4 7.066 -9.546 -3.753 25 HB3 LYS 4 3HB LYS 4 6.772 -10.106 -2.112 26 HG2 LYS 4 2HG LYS 4 5.131 -11.287 -3.076 27 HG3 LYS 4 3HG LYS 4 4.237 -9.769 -2.975 28 HD2 LYS 4 2HD LYS 4 4.636 -9.255 -5.229 29 HD3 LYS 4 3HD LYS 4 5.940 -10.439 -5.356 30 HE2 LYS 4 2HE LYS 4 3.677 -11.890 -4.582 31 HE3 LYS 4 3HE LYS 4 3.114 -10.763 -5.816 32 HZ1 LYS 4 1HZ LYS 4 5.516 -11.808 -6.722 33 HZ2 LYS 4 2HZ LYS 4 3.967 -12.116 -7.326 34 HZ3 LYS 4 3HZ LYS 4 4.626 -13.123 -6.138 35 HA PRO 5 HA PRO 5 9.122 -5.519 -1.119 36 HB2 PRO 5 2HB PRO 5 8.220 -4.358 1.163 37 HB3 PRO 5 3HB PRO 5 7.837 -3.737 -0.447 38 HG2 PRO 5 2HG PRO 5 6.179 -5.446 1.367 39 HG3 PRO 5 3HG PRO 5 5.689 -4.052 0.387 40 HD2 PRO 5 2HD PRO 5 5.238 -6.608 -0.387 41 HD3 PRO 5 3HD PRO 5 5.552 -5.300 -1.546 42 H VAL 6 H VAL 6 7.727 -5.996 2.039 43 HA VAL 6 HA VAL 6 9.858 -7.941 2.651 44 HB VAL 6 HB VAL 6 8.587 -5.941 4.526 45 HG11 VAL 6 1HG1 VAL 6 10.217 -6.675 6.150 46 HG12 VAL 6 2HG1 VAL 6 9.271 -8.059 5.598 47 HG13 VAL 6 3HG1 VAL 6 10.908 -7.809 4.990 48 HG21 VAL 6 1HG2 VAL 6 10.901 -4.957 4.534 49 HG22 VAL 6 2HG2 VAL 6 11.266 -5.986 3.149 50 HG23 VAL 6 3HG2 VAL 6 10.006 -4.758 3.027 51 HA PRO 7 HA PRO 7 6.601 -10.778 3.604 52 HB2 PRO 7 2HB PRO 7 8.118 -12.633 4.881 53 HB3 PRO 7 3HB PRO 7 8.123 -12.432 3.125 54 HG2 PRO 7 2HG PRO 7 10.071 -11.408 5.155 55 HG3 PRO 7 3HG PRO 7 10.387 -12.144 3.573 56 HD2 PRO 7 2HD PRO 7 10.467 -9.468 3.976 57 HD3 PRO 7 3HD PRO 7 9.956 -10.186 2.435 58 H ILE 8 H ILE 8 7.129 -8.496 5.427 59 HA ILE 8 HA ILE 8 7.302 -9.335 8.101 60 HB ILE 8 HB ILE 8 5.978 -7.147 8.527 61 HG12 ILE 8 2HG1 ILE 8 5.889 -5.591 6.687 62 HG13 ILE 8 3HG1 ILE 8 6.705 -6.730 5.622 63 HG21 ILE 8 1HG2 ILE 8 8.193 -5.966 7.413 64 HG22 ILE 8 2HG2 ILE 8 8.111 -6.696 9.015 65 HG23 ILE 8 3HG2 ILE 8 8.713 -7.634 7.649 66 HD11 ILE 8 1HD1 ILE 8 4.031 -7.299 6.859 67 HD12 ILE 8 2HD1 ILE 8 4.222 -6.484 5.306 68 HD13 ILE 8 3HD1 ILE 8 4.816 -8.131 5.516 69 H ILE 9 H ILE 9 5.413 -8.894 9.681 70 HA ILE 9 HA ILE 9 3.207 -10.599 8.830 71 HB ILE 9 HB ILE 9 4.146 -11.234 10.922 72 HG12 ILE 9 2HG1 ILE 9 2.221 -10.969 12.459 73 HG13 ILE 9 3HG1 ILE 9 1.569 -9.719 11.404 74 HG21 ILE 9 1HG2 ILE 9 5.317 -9.288 11.588 75 HG22 ILE 9 2HG2 ILE 9 3.833 -8.341 11.683 76 HG23 ILE 9 3HG2 ILE 9 4.141 -9.617 12.860 77 HD11 ILE 9 1HD1 ILE 9 0.567 -11.246 10.165 78 HD12 ILE 9 2HD1 ILE 9 2.097 -12.076 9.879 79 HD13 ILE 9 3HD1 ILE 9 1.124 -12.482 11.292 80 H TYR 10 H TYR 10 1.083 -9.989 8.773 81 HA TYR 10 HA TYR 10 0.446 -7.194 9.414 82 HB2 TYR 10 2HB TYR 10 -0.493 -6.739 7.352 83 HB3 TYR 10 3HB TYR 10 0.858 -7.765 6.884 84 HD1 TYR 10 HD1 TYR 10 -2.725 -7.377 6.903 85 HD2 TYR 10 HD2 TYR 10 0.424 -10.187 6.365 86 HE1 TYR 10 HE1 TYR 10 -4.286 -8.900 5.766 87 HE2 TYR 10 HE2 TYR 10 -1.128 -11.717 5.225 88 HH TYR 10 HH TYR 10 -3.700 -11.044 3.854 89 H CYS 11 H CYS 11 -1.427 -6.917 10.470 90 HA CYS 11 HA CYS 11 -3.027 -9.297 11.031 91 HB2 CYS 11 2HB CYS 11 -2.826 -6.586 12.337 92 HB3 CYS 11 3HB CYS 11 -4.097 -7.732 12.752 93 H ASN 12 H ASN 12 -4.758 -9.671 9.829 94 HA ASN 12 HA ASN 12 -6.059 -7.465 8.428 95 HB2 ASN 12 2HB ASN 12 -5.418 -9.990 7.608 96 HB3 ASN 12 3HB ASN 12 -7.113 -10.188 8.044 97 HD21 ASN 12 1HD2 ASN 12 -6.212 -10.479 5.453 98 HD22 ASN 12 2HD2 ASN 12 -6.848 -9.198 4.484 99 H ARG 13 H ARG 13 -7.296 -6.435 9.953 100 HA ARG 13 HA ARG 13 -8.796 -7.580 11.981 101 HB2 ARG 13 2HB ARG 13 -8.480 -5.004 10.847 102 HB3 ARG 13 3HB ARG 13 -10.209 -5.318 10.930 103 HG2 ARG 13 2HG ARG 13 -9.568 -6.106 13.378 104 HG3 ARG 13 3HG ARG 13 -8.230 -4.987 13.109 105 HD2 ARG 13 2HD ARG 13 -10.183 -3.421 12.261 106 HD3 ARG 13 3HD ARG 13 -11.149 -4.455 13.313 107 HE ARG 13 HE ARG 13 -8.937 -3.656 14.780 108 HH11 ARG 13 1HH1 ARG 13 -11.684 -2.177 13.236 109 HH12 ARG 13 2HH1 ARG 13 -11.764 -0.854 14.351 110 HH21 ARG 13 1HH2 ARG 13 -9.031 -1.919 16.255 111 HH22 ARG 13 2HH2 ARG 13 -10.253 -0.707 16.067 112 H ARG 14 H ARG 14 -9.416 -7.458 8.581 113 HA ARG 14 HA ARG 14 -12.187 -7.750 8.514 114 HB2 ARG 14 2HB ARG 14 -10.260 -9.089 6.615 115 HB3 ARG 14 3HB ARG 14 -11.915 -8.594 6.288 116 HG2 ARG 14 2HG ARG 14 -9.548 -6.797 6.761 117 HG3 ARG 14 3HG ARG 14 -10.411 -7.051 5.243 118 HD2 ARG 14 2HD ARG 14 -11.751 -5.361 5.771 119 HD3 ARG 14 3HD ARG 14 -12.346 -6.303 7.137 120 HE ARG 14 HE ARG 14 -9.895 -4.965 7.730 121 HH11 ARG 14 1HH1 ARG 14 -13.341 -4.542 7.483 122 HH12 ARG 14 2HH1 ARG 14 -13.391 -3.219 8.601 123 HH21 ARG 14 1HH2 ARG 14 -9.947 -3.224 9.204 124 HH22 ARG 14 2HH2 ARG 14 -11.459 -2.470 9.578 125 H THR 15 H THR 15 -9.641 -10.161 8.926 126 HA THR 15 HA THR 15 -11.725 -12.166 9.502 127 HB THR 15 HB THR 15 -10.543 -12.958 7.611 128 HG1 THR 15 HG1 THR 15 -9.935 -14.865 8.426 129 HG21 THR 15 1HG2 THR 15 -7.960 -12.393 9.071 130 HG22 THR 15 2HG2 THR 15 -8.632 -11.397 7.780 131 HG23 THR 15 3HG2 THR 15 -8.125 -13.052 7.445 132 H GLY 16 H GLY 16 -9.860 -10.130 11.086 133 HA2 GLY 16 2HA GLY 16 -8.825 -10.082 13.139 134 HA3 GLY 16 3HA GLY 16 -9.971 -11.347 13.555 135 H LYS 17 H LYS 17 -7.184 -11.299 11.342 136 HA LYS 17 HA LYS 17 -5.682 -13.067 13.065 137 HB2 LYS 17 2HB LYS 17 -6.832 -14.002 10.439 138 HB3 LYS 17 3HB LYS 17 -5.429 -14.764 11.176 139 HG2 LYS 17 2HG LYS 17 -6.795 -15.227 13.189 140 HG3 LYS 17 3HG LYS 17 -8.198 -14.573 12.341 141 HD2 LYS 17 2HD LYS 17 -6.915 -16.490 10.661 142 HD3 LYS 17 3HD LYS 17 -7.165 -17.206 12.255 143 HE2 LYS 17 2HE LYS 17 -9.548 -15.968 11.850 144 HE3 LYS 17 3HE LYS 17 -9.116 -16.420 10.202 145 HZ1 LYS 17 1HZ LYS 17 -10.430 -18.093 11.541 146 HZ2 LYS 17 2HZ LYS 17 -9.019 -18.359 12.434 147 HZ3 LYS 17 3HZ LYS 17 -9.039 -18.674 10.772 148 H CYS 18 H CYS 18 -3.519 -12.932 12.709 149 HA CYS 18 HA CYS 18 -2.660 -11.044 10.650 150 HB2 CYS 18 2HB CYS 18 -0.967 -12.211 12.859 151 HB3 CYS 18 3HB CYS 18 -0.664 -10.753 11.919 152 H GLN 19 H GLN 19 -1.419 -11.590 8.951 153 HA GLN 19 HA GLN 19 -0.208 -14.261 8.886 154 HB2 GLN 19 2HB GLN 19 -1.034 -13.851 6.273 155 HB3 GLN 19 3HB GLN 19 -1.764 -14.952 7.435 156 HG2 GLN 19 2HG GLN 19 -2.667 -12.163 7.613 157 HG3 GLN 19 3HG GLN 19 -3.096 -13.006 6.126 158 HE21 GLN 19 1HE2 GLN 19 -2.686 -14.642 9.170 159 HE22 GLN 19 2HE2 GLN 19 -4.350 -15.033 9.413 160 H ARG 20 H ARG 20 1.023 -14.356 6.574 161 HA ARG 20 HA ARG 20 2.709 -11.941 6.531 162 HB2 ARG 20 2HB ARG 20 3.417 -14.802 5.853 163 HB3 ARG 20 3HB ARG 20 4.506 -13.431 5.686 164 HG2 ARG 20 2HG ARG 20 4.934 -13.329 7.893 165 HG3 ARG 20 3HG ARG 20 3.286 -13.776 8.343 166 HD2 ARG 20 2HD ARG 20 4.646 -15.957 7.024 167 HD3 ARG 20 3HD ARG 20 5.554 -15.394 8.426 168 HE ARG 20 HE ARG 20 3.103 -16.846 8.446 169 HH11 ARG 20 1HH1 ARG 20 4.932 -14.427 10.158 170 HH12 ARG 20 2HH1 ARG 20 4.194 -14.765 11.688 171 HH21 ARG 20 1HH2 ARG 20 2.125 -17.300 10.456 172 HH22 ARG 20 2HH2 ARG 20 2.598 -16.400 11.857 173 H MET 21 H MET 21 2.657 -10.749 4.750 174 HA MET 21 HA MET 21 1.713 -12.000 2.255 175 HB2 MET 21 2HB MET 21 1.114 -9.578 1.639 176 HB3 MET 21 3HB MET 21 0.094 -10.401 2.811 177 HG2 MET 21 2HG MET 21 1.332 -9.280 4.626 178 HG3 MET 21 3HG MET 21 2.260 -8.402 3.412 179 HE1 MET 21 1HE MET 21 -0.107 -5.939 1.863 180 HE2 MET 21 2HE MET 21 1.395 -5.823 2.780 181 HE3 MET 21 3HE MET 21 1.202 -7.082 1.559 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -0.620 -13.096 -4.902 2 HA2 GLY 1 2HA GLY 1 -0.789 -11.148 -3.567 3 HA3 GLY 1 3HA GLY 1 0.924 -11.282 -3.199 4 H SER 2 H SER 2 0.265 -8.848 -3.769 5 HA SER 2 HA SER 2 0.450 -8.344 -6.629 6 HB2 SER 2 2HB SER 2 -1.097 -6.984 -5.293 7 HB3 SER 2 3HB SER 2 0.245 -6.418 -4.299 8 HG SER 2 HG SER 2 0.101 -4.859 -5.770 9 H LYS 3 H LYS 3 2.275 -7.494 -3.692 10 HA LYS 3 HA LYS 3 4.727 -7.482 -5.292 11 HB2 LYS 3 2HB LYS 3 5.481 -5.413 -4.116 12 HB3 LYS 3 3HB LYS 3 4.131 -5.156 -5.214 13 HG2 LYS 3 2HG LYS 3 3.136 -5.760 -2.601 14 HG3 LYS 3 3HG LYS 3 4.315 -4.450 -2.505 15 HD2 LYS 3 2HD LYS 3 3.026 -3.447 -4.504 16 HD3 LYS 3 3HD LYS 3 1.743 -4.568 -4.043 17 HE2 LYS 3 2HE LYS 3 1.356 -3.505 -2.033 18 HE3 LYS 3 3HE LYS 3 2.978 -2.818 -1.964 19 HZ1 LYS 3 1HZ LYS 3 0.625 -1.640 -2.938 20 HZ2 LYS 3 2HZ LYS 3 1.712 -1.787 -4.225 21 HZ3 LYS 3 3HZ LYS 3 2.171 -0.961 -2.821 22 H LYS 4 H LYS 4 6.697 -7.470 -3.896 23 HA LYS 4 HA LYS 4 6.177 -8.940 -1.394 24 HB2 LYS 4 2HB LYS 4 8.357 -9.241 -3.451 25 HB3 LYS 4 3HB LYS 4 8.526 -9.882 -1.822 26 HG2 LYS 4 2HG LYS 4 7.411 -11.698 -2.406 27 HG3 LYS 4 3HG LYS 4 6.012 -10.717 -2.849 28 HD2 LYS 4 2HD LYS 4 7.168 -10.303 -5.062 29 HD3 LYS 4 3HD LYS 4 8.316 -11.560 -4.595 30 HE2 LYS 4 2HE LYS 4 6.640 -12.577 -5.954 31 HE3 LYS 4 3HE LYS 4 6.373 -13.105 -4.294 32 HZ1 LYS 4 1HZ LYS 4 4.567 -11.607 -4.071 33 HZ2 LYS 4 2HZ LYS 4 4.330 -12.438 -5.525 34 HZ3 LYS 4 3HZ LYS 4 4.910 -10.849 -5.544 35 HA PRO 5 HA PRO 5 8.279 -5.004 -0.198 36 HB2 PRO 5 2HB PRO 5 6.816 -4.657 2.063 37 HB3 PRO 5 3HB PRO 5 6.276 -4.100 0.475 38 HG2 PRO 5 2HG PRO 5 5.512 -6.576 1.974 39 HG3 PRO 5 3HG PRO 5 4.482 -5.460 1.059 40 HD2 PRO 5 2HD PRO 5 5.319 -7.829 0.050 41 HD3 PRO 5 3HD PRO 5 5.049 -6.400 -0.968 42 H VAL 6 H VAL 6 7.099 -6.428 2.756 43 HA VAL 6 HA VAL 6 9.790 -7.461 3.354 44 HB VAL 6 HB VAL 6 8.204 -6.279 5.576 45 HG11 VAL 6 1HG1 VAL 6 10.459 -5.704 6.387 46 HG12 VAL 6 2HG1 VAL 6 10.281 -7.428 6.057 47 HG13 VAL 6 3HG1 VAL 6 11.145 -6.395 4.917 48 HG21 VAL 6 1HG2 VAL 6 9.586 -4.693 3.435 49 HG22 VAL 6 2HG2 VAL 6 7.975 -4.462 4.114 50 HG23 VAL 6 3HG2 VAL 6 9.402 -4.072 5.075 51 HA PRO 7 HA PRO 7 7.539 -11.117 4.424 52 HB2 PRO 7 2HB PRO 7 9.582 -12.438 5.629 53 HB3 PRO 7 3HB PRO 7 9.455 -12.260 3.875 54 HG2 PRO 7 2HG PRO 7 11.103 -10.696 5.824 55 HG3 PRO 7 3HG PRO 7 11.554 -11.322 4.228 56 HD2 PRO 7 2HD PRO 7 10.867 -8.735 4.637 57 HD3 PRO 7 3HD PRO 7 10.525 -9.585 3.117 58 H ILE 8 H ILE 8 7.310 -8.816 6.198 59 HA ILE 8 HA ILE 8 7.687 -9.886 8.875 60 HB ILE 8 HB ILE 8 7.242 -7.771 9.704 61 HG12 ILE 8 2HG1 ILE 8 5.042 -7.439 8.754 62 HG13 ILE 8 3HG1 ILE 8 6.023 -6.016 8.419 63 HG21 ILE 8 1HG2 ILE 8 8.300 -6.132 8.029 64 HG22 ILE 8 2HG2 ILE 8 9.258 -7.509 8.571 65 HG23 ILE 8 3HG2 ILE 8 8.483 -7.542 6.987 66 HD11 ILE 8 1HD1 ILE 8 6.403 -6.814 6.147 67 HD12 ILE 8 2HD1 ILE 8 5.419 -8.239 6.484 68 HD13 ILE 8 3HD1 ILE 8 4.683 -6.637 6.496 69 H ILE 9 H ILE 9 5.732 -9.363 10.409 70 HA ILE 9 HA ILE 9 3.474 -10.863 9.336 71 HB ILE 9 HB ILE 9 4.247 -11.678 11.435 72 HG12 ILE 9 2HG1 ILE 9 2.254 -11.375 12.874 73 HG13 ILE 9 3HG1 ILE 9 1.746 -10.028 11.862 74 HG21 ILE 9 1HG2 ILE 9 4.067 -8.820 12.355 75 HG22 ILE 9 2HG2 ILE 9 4.228 -10.181 13.464 76 HG23 ILE 9 3HG2 ILE 9 5.495 -9.853 12.282 77 HD11 ILE 9 1HD1 ILE 9 0.726 -11.412 10.477 78 HD12 ILE 9 2HD1 ILE 9 2.216 -12.323 10.228 79 HD13 ILE 9 3HD1 ILE 9 1.137 -12.745 11.557 80 H TYR 10 H TYR 10 1.400 -10.106 9.204 81 HA TYR 10 HA TYR 10 0.912 -7.315 9.979 82 HB2 TYR 10 2HB TYR 10 0.111 -6.683 7.899 83 HB3 TYR 10 3HB TYR 10 1.439 -7.748 7.449 84 HD1 TYR 10 HD1 TYR 10 -2.121 -7.185 7.291 85 HD2 TYR 10 HD2 TYR 10 0.928 -10.100 6.737 86 HE1 TYR 10 HE1 TYR 10 -3.678 -8.553 5.967 87 HE2 TYR 10 HE2 TYR 10 -0.620 -11.476 5.411 88 HH TYR 10 HH TYR 10 -3.941 -10.395 4.759 89 H CYS 11 H CYS 11 -0.996 -6.974 10.950 90 HA CYS 11 HA CYS 11 -2.789 -9.263 11.249 91 HB2 CYS 11 2HB CYS 11 -2.482 -6.681 12.778 92 HB3 CYS 11 3HB CYS 11 -3.825 -7.786 13.050 93 H ASN 12 H ASN 12 -4.452 -9.403 9.906 94 HA ASN 12 HA ASN 12 -5.516 -6.994 8.649 95 HB2 ASN 12 2HB ASN 12 -5.050 -9.549 7.700 96 HB3 ASN 12 3HB ASN 12 -6.795 -9.524 7.934 97 HD21 ASN 12 1HD2 ASN 12 -7.354 -9.506 5.811 98 HD22 ASN 12 2HD2 ASN 12 -7.025 -8.186 4.745 99 H ARG 13 H ARG 13 -6.744 -6.012 10.221 100 HA ARG 13 HA ARG 13 -8.419 -7.162 12.076 101 HB2 ARG 13 2HB ARG 13 -8.985 -5.041 12.553 102 HB3 ARG 13 3HB ARG 13 -7.829 -4.595 11.305 103 HG2 ARG 13 2HG ARG 13 -9.663 -4.588 9.654 104 HG3 ARG 13 3HG ARG 13 -10.799 -4.938 10.958 105 HD2 ARG 13 2HD ARG 13 -8.971 -2.549 10.974 106 HD3 ARG 13 3HD ARG 13 -10.590 -2.511 10.277 107 HE ARG 13 HE ARG 13 -9.902 -2.506 13.066 108 HH11 ARG 13 1HH1 ARG 13 -12.361 -3.285 10.728 109 HH12 ARG 13 2HH1 ARG 13 -13.665 -3.156 11.863 110 HH21 ARG 13 1HH2 ARG 13 -11.609 -2.333 14.569 111 HH22 ARG 13 2HH2 ARG 13 -13.236 -2.613 14.047 112 H ARG 14 H ARG 14 -8.962 -6.647 8.662 113 HA ARG 14 HA ARG 14 -11.721 -6.919 8.515 114 HB2 ARG 14 2HB ARG 14 -9.593 -7.853 6.582 115 HB3 ARG 14 3HB ARG 14 -11.311 -7.802 6.209 116 HG2 ARG 14 2HG ARG 14 -9.564 -5.449 6.896 117 HG3 ARG 14 3HG ARG 14 -10.189 -5.865 5.299 118 HD2 ARG 14 2HD ARG 14 -12.508 -5.713 6.395 119 HD3 ARG 14 3HD ARG 14 -11.680 -4.875 7.707 120 HE ARG 14 HE ARG 14 -10.998 -3.698 5.236 121 HH11 ARG 14 1HH1 ARG 14 -13.654 -3.979 7.470 122 HH12 ARG 14 2HH1 ARG 14 -14.356 -2.458 7.029 123 HH21 ARG 14 1HH2 ARG 14 -11.913 -1.694 4.647 124 HH22 ARG 14 2HH2 ARG 14 -13.365 -1.159 5.422 125 H THR 15 H THR 15 -9.217 -9.421 8.611 126 HA THR 15 HA THR 15 -11.327 -11.456 8.870 127 HB THR 15 HB THR 15 -10.089 -12.878 7.660 128 HG1 THR 15 HG1 THR 15 -7.638 -11.973 8.763 129 HG21 THR 15 1HG2 THR 15 -9.848 -10.864 6.300 130 HG22 THR 15 2HG2 THR 15 -8.412 -11.879 6.167 131 HG23 THR 15 3HG2 THR 15 -8.381 -10.434 7.177 132 H GLY 16 H GLY 16 -9.642 -9.588 10.837 133 HA2 GLY 16 2HA GLY 16 -8.783 -9.761 12.967 134 HA3 GLY 16 3HA GLY 16 -10.030 -10.984 13.161 135 H LYS 17 H LYS 17 -7.077 -10.989 11.186 136 HA LYS 17 HA LYS 17 -5.804 -12.916 12.923 137 HB2 LYS 17 2HB LYS 17 -6.822 -13.670 10.187 138 HB3 LYS 17 3HB LYS 17 -5.519 -14.546 10.981 139 HG2 LYS 17 2HG LYS 17 -7.048 -15.003 12.877 140 HG3 LYS 17 3HG LYS 17 -8.348 -14.236 11.962 141 HD2 LYS 17 2HD LYS 17 -8.133 -15.893 10.207 142 HD3 LYS 17 3HD LYS 17 -6.753 -16.623 11.031 143 HE2 LYS 17 2HE LYS 17 -8.180 -17.959 12.089 144 HE3 LYS 17 3HE LYS 17 -8.801 -16.541 12.932 145 HZ1 LYS 17 1HZ LYS 17 -10.594 -17.711 11.872 146 HZ2 LYS 17 2HZ LYS 17 -9.817 -17.650 10.372 147 HZ3 LYS 17 3HZ LYS 17 -10.375 -16.225 11.093 148 H CYS 18 H CYS 18 -3.608 -12.973 12.668 149 HA CYS 18 HA CYS 18 -2.497 -11.010 10.807 150 HB2 CYS 18 2HB CYS 18 -1.030 -12.468 13.005 151 HB3 CYS 18 3HB CYS 18 -0.551 -10.984 12.188 152 H GLN 19 H GLN 19 -1.193 -11.524 9.142 153 HA GLN 19 HA GLN 19 -0.198 -14.274 8.924 154 HB2 GLN 19 2HB GLN 19 -0.846 -13.563 6.312 155 HB3 GLN 19 3HB GLN 19 -1.686 -14.733 7.321 156 HG2 GLN 19 2HG GLN 19 -2.382 -11.839 7.512 157 HG3 GLN 19 3HG GLN 19 -3.002 -12.811 6.178 158 HE21 GLN 19 1HE2 GLN 19 -5.039 -12.103 7.278 159 HE22 GLN 19 2HE2 GLN 19 -5.666 -13.133 8.515 160 H ARG 20 H ARG 20 1.148 -14.290 6.671 161 HA ARG 20 HA ARG 20 3.025 -12.033 6.917 162 HB2 ARG 20 2HB ARG 20 4.763 -13.562 6.116 163 HB3 ARG 20 3HB ARG 20 3.992 -14.183 7.569 164 HG2 ARG 20 2HG ARG 20 2.502 -15.508 5.921 165 HG3 ARG 20 3HG ARG 20 3.781 -15.161 4.756 166 HD2 ARG 20 2HD ARG 20 4.924 -16.063 7.227 167 HD3 ARG 20 3HD ARG 20 3.703 -17.210 6.678 168 HE ARG 20 HE ARG 20 5.064 -17.776 4.918 169 HH11 ARG 20 1HH1 ARG 20 6.249 -14.864 6.414 170 HH12 ARG 20 2HH1 ARG 20 7.732 -14.852 5.519 171 HH21 ARG 20 1HH2 ARG 20 7.013 -17.772 3.734 172 HH22 ARG 20 2HH2 ARG 20 8.165 -16.506 3.994 173 H MET 21 H MET 21 3.192 -10.707 5.240 174 HA MET 21 HA MET 21 2.219 -11.636 2.621 175 HB2 MET 21 2HB MET 21 2.006 -9.118 2.172 176 HB3 MET 21 3HB MET 21 0.836 -9.853 3.259 177 HG2 MET 21 2HG MET 21 1.966 -8.981 5.174 178 HG3 MET 21 3HG MET 21 3.305 -8.410 4.182 179 HE1 MET 21 1HE MET 21 -0.962 -6.728 3.869 180 HE2 MET 21 2HE MET 21 -0.370 -7.865 2.658 181 HE3 MET 21 3HE MET 21 -0.514 -8.366 4.344 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -3.311 -8.560 -2.176 2 HA2 GLY 1 2HA GLY 1 -2.092 -6.508 -2.075 3 HA3 GLY 1 3HA GLY 1 -0.867 -7.769 -2.077 4 H SER 2 H SER 2 -0.355 -5.172 -2.953 5 HA SER 2 HA SER 2 -0.404 -5.249 -5.865 6 HB2 SER 2 2HB SER 2 0.070 -3.174 -3.801 7 HB3 SER 2 3HB SER 2 0.970 -2.991 -5.307 8 HG SER 2 HG SER 2 -1.597 -2.448 -4.828 9 H LYS 3 H LYS 3 1.971 -5.116 -3.230 10 HA LYS 3 HA LYS 3 3.912 -6.417 -4.990 11 HB2 LYS 3 2HB LYS 3 4.110 -3.693 -3.923 12 HB3 LYS 3 3HB LYS 3 5.516 -4.690 -3.573 13 HG2 LYS 3 2HG LYS 3 5.008 -5.198 -6.239 14 HG3 LYS 3 3HG LYS 3 4.672 -3.474 -6.064 15 HD2 LYS 3 2HD LYS 3 6.925 -3.431 -4.770 16 HD3 LYS 3 3HD LYS 3 7.223 -4.967 -5.588 17 HE2 LYS 3 2HE LYS 3 6.656 -3.750 -7.746 18 HE3 LYS 3 3HE LYS 3 6.763 -2.258 -6.813 19 HZ1 LYS 3 1HZ LYS 3 8.916 -4.226 -7.335 20 HZ2 LYS 3 2HZ LYS 3 9.051 -3.009 -6.168 21 HZ3 LYS 3 3HZ LYS 3 8.862 -2.600 -7.799 22 H LYS 4 H LYS 4 5.579 -7.549 -3.880 23 HA LYS 4 HA LYS 4 4.908 -8.134 -1.072 24 HB2 LYS 4 2HB LYS 4 5.930 -9.863 -3.302 25 HB3 LYS 4 3HB LYS 4 6.226 -10.311 -1.627 26 HG2 LYS 4 2HG LYS 4 3.835 -10.348 -1.195 27 HG3 LYS 4 3HG LYS 4 3.516 -9.849 -2.858 28 HD2 LYS 4 2HD LYS 4 4.986 -12.372 -2.102 29 HD3 LYS 4 3HD LYS 4 3.255 -12.301 -2.444 30 HE2 LYS 4 2HE LYS 4 5.456 -11.509 -4.350 31 HE3 LYS 4 3HE LYS 4 4.561 -13.027 -4.396 32 HZ1 LYS 4 1HZ LYS 4 2.525 -11.432 -4.509 33 HZ2 LYS 4 2HZ LYS 4 3.410 -11.780 -5.907 34 HZ3 LYS 4 3HZ LYS 4 3.662 -10.321 -5.089 35 HA PRO 5 HA PRO 5 9.068 -6.129 -0.977 36 HB2 PRO 5 2HB PRO 5 8.595 -4.759 1.319 37 HB3 PRO 5 3HB PRO 5 8.135 -4.150 -0.276 38 HG2 PRO 5 2HG PRO 5 6.453 -5.522 1.786 39 HG3 PRO 5 3HG PRO 5 6.066 -4.109 0.787 40 HD2 PRO 5 2HD PRO 5 5.170 -6.596 0.201 41 HD3 PRO 5 3HD PRO 5 5.542 -5.395 -1.052 42 H VAL 6 H VAL 6 7.969 -6.271 2.326 43 HA VAL 6 HA VAL 6 9.955 -8.376 2.855 44 HB VAL 6 HB VAL 6 8.790 -6.352 4.772 45 HG11 VAL 6 1HG1 VAL 6 10.431 -7.152 6.355 46 HG12 VAL 6 2HG1 VAL 6 9.429 -8.500 5.814 47 HG13 VAL 6 3HG1 VAL 6 11.060 -8.298 5.171 48 HG21 VAL 6 1HG2 VAL 6 10.198 -5.141 3.344 49 HG22 VAL 6 2HG2 VAL 6 11.212 -5.524 4.735 50 HG23 VAL 6 3HG2 VAL 6 11.373 -6.452 3.245 51 HA PRO 7 HA PRO 7 6.629 -11.115 3.859 52 HB2 PRO 7 2HB PRO 7 8.113 -13.028 5.089 53 HB3 PRO 7 3HB PRO 7 8.086 -12.812 3.334 54 HG2 PRO 7 2HG PRO 7 10.110 -11.869 5.328 55 HG3 PRO 7 3HG PRO 7 10.367 -12.602 3.734 56 HD2 PRO 7 2HD PRO 7 10.543 -9.933 4.155 57 HD3 PRO 7 3HD PRO 7 9.975 -10.622 2.620 58 H ILE 8 H ILE 8 7.270 -8.865 5.687 59 HA ILE 8 HA ILE 8 7.475 -9.731 8.349 60 HB ILE 8 HB ILE 8 6.232 -7.505 8.821 61 HG12 ILE 8 2HG1 ILE 8 6.152 -5.933 6.995 62 HG13 ILE 8 3HG1 ILE 8 6.910 -7.088 5.904 63 HG21 ILE 8 1HG2 ILE 8 8.884 -8.172 8.287 64 HG22 ILE 8 2HG2 ILE 8 8.597 -6.679 7.395 65 HG23 ILE 8 3HG2 ILE 8 8.296 -6.740 9.131 66 HD11 ILE 8 1HD1 ILE 8 4.429 -6.760 5.643 67 HD12 ILE 8 2HD1 ILE 8 4.973 -8.427 5.830 68 HD13 ILE 8 3HD1 ILE 8 4.245 -7.579 7.194 69 H ILE 9 H ILE 9 5.636 -9.242 9.975 70 HA ILE 9 HA ILE 9 3.342 -10.844 9.140 71 HB ILE 9 HB ILE 9 4.350 -11.582 11.180 72 HG12 ILE 9 2HG1 ILE 9 2.460 -11.372 12.759 73 HG13 ILE 9 3HG1 ILE 9 1.804 -10.061 11.786 74 HG21 ILE 9 1HG2 ILE 9 5.549 -9.654 11.881 75 HG22 ILE 9 2HG2 ILE 9 4.064 -8.726 12.083 76 HG23 ILE 9 3HG2 ILE 9 4.425 -10.061 13.177 77 HD11 ILE 9 1HD1 ILE 9 2.239 -12.291 10.089 78 HD12 ILE 9 2HD1 ILE 9 1.370 -12.837 11.525 79 HD13 ILE 9 3HD1 ILE 9 0.717 -11.525 10.544 80 H TYR 10 H TYR 10 1.242 -10.146 9.195 81 HA TYR 10 HA TYR 10 0.745 -7.358 9.968 82 HB2 TYR 10 2HB TYR 10 -0.219 -6.763 7.954 83 HB3 TYR 10 3HB TYR 10 1.071 -7.826 7.402 84 HD1 TYR 10 HD1 TYR 10 0.502 -10.219 6.822 85 HD2 TYR 10 HD2 TYR 10 -2.477 -7.256 7.493 86 HE1 TYR 10 HE1 TYR 10 -1.147 -11.621 5.655 87 HE2 TYR 10 HE2 TYR 10 -4.135 -8.651 6.330 88 HH TYR 10 HH TYR 10 -4.448 -10.479 5.076 89 H CYS 11 H CYS 11 -1.112 -7.038 11.051 90 HA CYS 11 HA CYS 11 -2.820 -9.378 11.499 91 HB2 CYS 11 2HB CYS 11 -2.192 -6.913 13.071 92 HB3 CYS 11 3HB CYS 11 -3.731 -7.723 13.344 93 H ASN 12 H ASN 12 -4.547 -9.507 10.232 94 HA ASN 12 HA ASN 12 -5.717 -7.140 9.047 95 HB2 ASN 12 2HB ASN 12 -5.439 -9.693 8.153 96 HB3 ASN 12 3HB ASN 12 -7.103 -9.729 8.730 97 HD21 ASN 12 1HD2 ASN 12 -7.823 -7.094 8.175 98 HD22 ASN 12 2HD2 ASN 12 -7.876 -6.889 6.461 99 H ARG 13 H ARG 13 -6.691 -5.992 10.686 100 HA ARG 13 HA ARG 13 -8.165 -6.892 12.811 101 HB2 ARG 13 2HB ARG 13 -8.539 -4.711 13.146 102 HB3 ARG 13 3HB ARG 13 -7.654 -4.426 11.654 103 HG2 ARG 13 2HG ARG 13 -9.770 -4.526 10.403 104 HG3 ARG 13 3HG ARG 13 -10.635 -4.740 11.926 105 HD2 ARG 13 2HD ARG 13 -10.391 -2.571 12.524 106 HD3 ARG 13 3HD ARG 13 -8.795 -2.438 11.787 107 HE ARG 13 HE ARG 13 -9.790 -1.619 9.906 108 HH11 ARG 13 1HH1 ARG 13 -12.185 -3.296 11.795 109 HH12 ARG 13 2HH1 ARG 13 -13.506 -2.829 10.775 110 HH21 ARG 13 1HH2 ARG 13 -11.520 -0.998 8.555 111 HH22 ARG 13 2HH2 ARG 13 -13.126 -1.523 8.932 112 H ARG 14 H ARG 14 -9.143 -6.645 9.458 113 HA ARG 14 HA ARG 14 -11.900 -6.859 9.703 114 HB2 ARG 14 2HB ARG 14 -9.953 -7.746 7.599 115 HB3 ARG 14 3HB ARG 14 -11.661 -8.136 7.444 116 HG2 ARG 14 2HG ARG 14 -12.216 -6.040 6.886 117 HG3 ARG 14 3HG ARG 14 -11.115 -5.328 8.067 118 HD2 ARG 14 2HD ARG 14 -10.584 -4.872 5.640 119 HD3 ARG 14 3HD ARG 14 -9.267 -5.532 6.609 120 HE ARG 14 HE ARG 14 -9.278 -7.392 5.280 121 HH11 ARG 14 1HH1 ARG 14 -12.267 -5.664 4.831 122 HH12 ARG 14 2HH1 ARG 14 -12.799 -6.664 3.520 123 HH21 ARG 14 1HH2 ARG 14 -9.967 -8.715 3.555 124 HH22 ARG 14 2HH2 ARG 14 -11.491 -8.399 2.795 125 H THR 15 H THR 15 -9.438 -9.401 9.672 126 HA THR 15 HA THR 15 -11.522 -11.357 10.381 127 HB THR 15 HB THR 15 -10.513 -12.892 9.101 128 HG1 THR 15 HG1 THR 15 -8.692 -13.598 9.893 129 HG21 THR 15 1HG2 THR 15 -9.046 -12.055 7.314 130 HG22 THR 15 2HG2 THR 15 -8.836 -10.546 8.203 131 HG23 THR 15 3HG2 THR 15 -10.424 -10.988 7.578 132 H GLY 16 H GLY 16 -9.534 -9.398 11.927 133 HA2 GLY 16 2HA GLY 16 -8.326 -9.452 13.891 134 HA3 GLY 16 3HA GLY 16 -9.587 -10.571 14.386 135 H LYS 17 H LYS 17 -6.847 -10.797 12.117 136 HA LYS 17 HA LYS 17 -5.544 -12.769 13.777 137 HB2 LYS 17 2HB LYS 17 -6.816 -13.503 11.145 138 HB3 LYS 17 3HB LYS 17 -5.493 -14.432 11.839 139 HG2 LYS 17 2HG LYS 17 -6.883 -14.781 13.869 140 HG3 LYS 17 3HG LYS 17 -8.219 -13.985 13.034 141 HD2 LYS 17 2HD LYS 17 -8.767 -15.964 12.177 142 HD3 LYS 17 3HD LYS 17 -7.266 -15.917 11.249 143 HE2 LYS 17 2HE LYS 17 -6.135 -17.246 12.768 144 HE3 LYS 17 3HE LYS 17 -7.236 -16.852 14.088 145 HZ1 LYS 17 1HZ LYS 17 -8.113 -18.842 13.638 146 HZ2 LYS 17 2HZ LYS 17 -7.420 -18.930 12.098 147 HZ3 LYS 17 3HZ LYS 17 -8.862 -18.077 12.329 148 H CYS 18 H CYS 18 -3.388 -13.117 13.216 149 HA CYS 18 HA CYS 18 -2.300 -11.124 11.372 150 HB2 CYS 18 2HB CYS 18 -1.434 -12.299 13.872 151 HB3 CYS 18 3HB CYS 18 -0.181 -12.445 12.644 152 H GLN 19 H GLN 19 -1.216 -11.626 9.547 153 HA GLN 19 HA GLN 19 -0.472 -14.407 9.042 154 HB2 GLN 19 2HB GLN 19 -1.486 -13.568 6.595 155 HB3 GLN 19 3HB GLN 19 -2.224 -14.728 7.691 156 HG2 GLN 19 2HG GLN 19 -2.719 -11.818 8.093 157 HG3 GLN 19 3HG GLN 19 -3.575 -12.680 6.816 158 HE21 GLN 19 1HE2 GLN 19 -5.372 -11.895 8.267 159 HE22 GLN 19 2HE2 GLN 19 -5.888 -12.974 9.514 160 H ARG 20 H ARG 20 0.507 -14.382 6.611 161 HA ARG 20 HA ARG 20 2.487 -12.201 6.625 162 HB2 ARG 20 2HB ARG 20 4.018 -13.776 5.514 163 HB3 ARG 20 3HB ARG 20 3.487 -14.373 7.080 164 HG2 ARG 20 2HG ARG 20 1.787 -15.761 5.885 165 HG3 ARG 20 3HG ARG 20 2.546 -15.270 4.369 166 HD2 ARG 20 2HD ARG 20 3.947 -16.682 6.636 167 HD3 ARG 20 3HD ARG 20 3.338 -17.465 5.179 168 HE ARG 20 HE ARG 20 4.989 -15.482 4.271 169 HH11 ARG 20 1HH1 ARG 20 5.328 -18.210 6.407 170 HH12 ARG 20 2HH1 ARG 20 7.001 -18.460 6.035 171 HH21 ARG 20 1HH2 ARG 20 7.192 -15.800 3.773 172 HH22 ARG 20 2HH2 ARG 20 8.061 -17.087 4.537 173 H MET 21 H MET 21 2.449 -10.840 4.968 174 HA MET 21 HA MET 21 1.082 -11.684 2.498 175 HB2 MET 21 2HB MET 21 0.838 -9.154 2.148 176 HB3 MET 21 3HB MET 21 -0.175 -9.908 3.372 177 HG2 MET 21 2HG MET 21 1.396 -9.164 5.105 178 HG3 MET 21 3HG MET 21 2.363 -8.369 3.865 179 HE1 MET 21 1HE MET 21 2.008 -6.296 2.855 180 HE2 MET 21 2HE MET 21 0.503 -6.611 1.991 181 HE3 MET 21 3HE MET 21 0.642 -5.196 3.036 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -0.638 -8.227 -1.761 2 HA2 GLY 1 2HA GLY 1 -3.025 -7.452 -3.112 3 HA3 GLY 1 3HA GLY 1 -1.878 -6.373 -2.330 4 H SER 2 H SER 2 -0.069 -5.610 -3.528 5 HA SER 2 HA SER 2 -0.427 -5.821 -6.447 6 HB2 SER 2 2HB SER 2 -0.355 -3.495 -4.728 7 HB3 SER 2 3HB SER 2 0.939 -3.424 -5.924 8 HG SER 2 HG SER 2 -0.552 -2.839 -7.269 9 H LYS 3 H LYS 3 2.002 -4.885 -4.007 10 HA LYS 3 HA LYS 3 4.039 -6.218 -5.669 11 HB2 LYS 3 2HB LYS 3 4.047 -3.651 -4.189 12 HB3 LYS 3 3HB LYS 3 5.526 -4.600 -4.105 13 HG2 LYS 3 2HG LYS 3 5.702 -4.606 -6.516 14 HG3 LYS 3 3HG LYS 3 4.166 -3.746 -6.653 15 HD2 LYS 3 2HD LYS 3 5.332 -1.848 -6.605 16 HD3 LYS 3 3HD LYS 3 5.698 -2.199 -4.914 17 HE2 LYS 3 2HE LYS 3 7.517 -3.753 -6.255 18 HE3 LYS 3 3HE LYS 3 7.414 -2.320 -7.278 19 HZ1 LYS 3 1HZ LYS 3 8.037 -2.366 -4.375 20 HZ2 LYS 3 2HZ LYS 3 7.855 -0.962 -5.300 21 HZ3 LYS 3 3HZ LYS 3 9.122 -2.032 -5.629 22 H LYS 4 H LYS 4 5.949 -7.005 -4.382 23 HA LYS 4 HA LYS 4 5.065 -8.086 -1.786 24 HB2 LYS 4 2HB LYS 4 6.569 -10.061 -2.363 25 HB3 LYS 4 3HB LYS 4 5.055 -9.937 -3.249 26 HG2 LYS 4 2HG LYS 4 6.284 -8.906 -5.129 27 HG3 LYS 4 3HG LYS 4 7.790 -9.163 -4.243 28 HD2 LYS 4 2HD LYS 4 6.588 -11.642 -4.174 29 HD3 LYS 4 3HD LYS 4 6.178 -11.042 -5.783 30 HE2 LYS 4 2HE LYS 4 8.530 -10.612 -6.238 31 HE3 LYS 4 3HE LYS 4 8.958 -11.147 -4.613 32 HZ1 LYS 4 1HZ LYS 4 7.581 -12.895 -6.570 33 HZ2 LYS 4 2HZ LYS 4 8.327 -13.347 -5.121 34 HZ3 LYS 4 3HZ LYS 4 9.266 -12.827 -6.428 35 HA PRO 5 HA PRO 5 8.915 -5.628 -1.101 36 HB2 PRO 5 2HB PRO 5 8.089 -4.588 1.267 37 HB3 PRO 5 3HB PRO 5 7.685 -3.863 -0.294 38 HG2 PRO 5 2HG PRO 5 6.030 -5.645 1.452 39 HG3 PRO 5 3HG PRO 5 5.549 -4.184 0.568 40 HD2 PRO 5 2HD PRO 5 5.026 -6.679 -0.346 41 HD3 PRO 5 3HD PRO 5 5.343 -5.311 -1.432 42 H VAL 6 H VAL 6 7.580 -6.266 2.054 43 HA VAL 6 HA VAL 6 9.653 -8.318 2.487 44 HB VAL 6 HB VAL 6 8.577 -6.344 4.507 45 HG11 VAL 6 1HG1 VAL 6 10.815 -8.349 4.774 46 HG12 VAL 6 2HG1 VAL 6 10.238 -7.236 6.017 47 HG13 VAL 6 3HG1 VAL 6 9.198 -8.543 5.450 48 HG21 VAL 6 1HG2 VAL 6 11.223 -5.839 4.344 49 HG22 VAL 6 2HG2 VAL 6 10.886 -6.301 2.676 50 HG23 VAL 6 3HG2 VAL 6 9.999 -4.970 3.418 51 HA PRO 7 HA PRO 7 6.294 -11.023 3.471 52 HB2 PRO 7 2HB PRO 7 7.764 -13.011 4.592 53 HB3 PRO 7 3HB PRO 7 7.700 -12.730 2.848 54 HG2 PRO 7 2HG PRO 7 9.791 -11.904 4.824 55 HG3 PRO 7 3HG PRO 7 9.994 -12.582 3.198 56 HD2 PRO 7 2HD PRO 7 10.237 -9.935 3.713 57 HD3 PRO 7 3HD PRO 7 9.619 -10.554 2.169 58 H ILE 8 H ILE 8 7.026 -8.858 5.364 59 HA ILE 8 HA ILE 8 7.276 -9.827 7.987 60 HB ILE 8 HB ILE 8 6.092 -7.595 8.571 61 HG12 ILE 8 2HG1 ILE 8 6.004 -5.954 6.807 62 HG13 ILE 8 3HG1 ILE 8 6.712 -7.082 5.656 63 HG21 ILE 8 1HG2 ILE 8 8.749 -8.232 7.653 64 HG22 ILE 8 2HG2 ILE 8 8.349 -6.549 7.314 65 HG23 ILE 8 3HG2 ILE 8 8.238 -7.166 8.962 66 HD11 ILE 8 1HD1 ILE 8 4.746 -8.379 5.579 67 HD12 ILE 8 2HD1 ILE 8 4.066 -7.563 6.987 68 HD13 ILE 8 3HD1 ILE 8 4.236 -6.696 5.461 69 H ILE 9 H ILE 9 5.487 -9.360 9.674 70 HA ILE 9 HA ILE 9 3.156 -10.909 8.857 71 HB ILE 9 HB ILE 9 4.152 -11.684 10.874 72 HG12 ILE 9 2HG1 ILE 9 2.317 -11.387 12.511 73 HG13 ILE 9 3HG1 ILE 9 1.686 -10.061 11.540 74 HG21 ILE 9 1HG2 ILE 9 5.457 -9.836 11.566 75 HG22 ILE 9 2HG2 ILE 9 4.034 -8.816 11.768 76 HG23 ILE 9 3HG2 ILE 9 4.321 -10.157 12.876 77 HD11 ILE 9 1HD1 ILE 9 0.547 -11.478 10.289 78 HD12 ILE 9 2HD1 ILE 9 2.016 -12.372 9.895 79 HD13 ILE 9 3HD1 ILE 9 1.089 -12.790 11.336 80 H TYR 10 H TYR 10 1.067 -10.188 8.928 81 HA TYR 10 HA TYR 10 0.611 -7.394 9.714 82 HB2 TYR 10 2HB TYR 10 -0.398 -6.804 7.721 83 HB3 TYR 10 3HB TYR 10 0.874 -7.875 7.146 84 HD1 TYR 10 HD1 TYR 10 0.294 -10.243 6.542 85 HD2 TYR 10 HD2 TYR 10 -2.680 -7.313 7.359 86 HE1 TYR 10 HE1 TYR 10 -1.386 -11.644 5.418 87 HE2 TYR 10 HE2 TYR 10 -4.369 -8.706 6.238 88 HH TYR 10 HH TYR 10 -4.728 -11.050 5.652 89 H CYS 11 H CYS 11 -1.191 -7.068 10.874 90 HA CYS 11 HA CYS 11 -2.889 -9.383 11.414 91 HB2 CYS 11 2HB CYS 11 -2.477 -6.749 12.819 92 HB3 CYS 11 3HB CYS 11 -3.791 -7.840 13.247 93 H ASN 12 H ASN 12 -4.691 -9.614 10.280 94 HA ASN 12 HA ASN 12 -5.935 -7.283 9.039 95 HB2 ASN 12 2HB ASN 12 -5.477 -9.813 8.096 96 HB3 ASN 12 3HB ASN 12 -7.165 -9.917 8.588 97 HD21 ASN 12 1HD2 ASN 12 -8.119 -9.955 6.635 98 HD22 ASN 12 2HD2 ASN 12 -8.026 -8.676 5.478 99 H ARG 13 H ARG 13 -7.053 -6.255 10.648 100 HA ARG 13 HA ARG 13 -8.507 -7.399 12.710 101 HB2 ARG 13 2HB ARG 13 -8.883 -5.258 13.223 102 HB3 ARG 13 3HB ARG 13 -8.069 -4.817 11.728 103 HG2 ARG 13 2HG ARG 13 -10.212 -4.872 10.548 104 HG3 ARG 13 3HG ARG 13 -11.023 -5.299 12.057 105 HD2 ARG 13 2HD ARG 13 -9.310 -2.866 12.002 106 HD3 ARG 13 3HD ARG 13 -10.887 -2.799 11.217 107 HE ARG 13 HE ARG 13 -10.962 -3.848 13.893 108 HH11 ARG 13 1HH1 ARG 13 -11.041 -0.971 11.935 109 HH12 ARG 13 2HH1 ARG 13 -11.872 -0.026 13.126 110 HH21 ARG 13 1HH2 ARG 13 -12.056 -2.615 15.469 111 HH22 ARG 13 2HH2 ARG 13 -12.448 -0.962 15.137 112 H ARG 14 H ARG 14 -9.289 -7.120 9.350 113 HA ARG 14 HA ARG 14 -12.072 -7.301 9.425 114 HB2 ARG 14 2HB ARG 14 -10.023 -8.216 7.422 115 HB3 ARG 14 3HB ARG 14 -11.740 -8.493 7.161 116 HG2 ARG 14 2HG ARG 14 -12.076 -6.393 6.518 117 HG3 ARG 14 3HG ARG 14 -11.181 -5.747 7.895 118 HD2 ARG 14 2HD ARG 14 -9.950 -5.036 6.046 119 HD3 ARG 14 3HD ARG 14 -9.080 -6.462 6.609 120 HE ARG 14 HE ARG 14 -9.579 -7.492 4.633 121 HH11 ARG 14 1HH1 ARG 14 -11.712 -4.773 5.057 122 HH12 ARG 14 2HH1 ARG 14 -12.407 -4.905 3.476 123 HH21 ARG 14 1HH2 ARG 14 -10.486 -7.675 2.548 124 HH22 ARG 14 2HH2 ARG 14 -11.710 -6.557 2.049 125 H THR 15 H THR 15 -9.615 -9.853 9.457 126 HA THR 15 HA THR 15 -11.737 -11.802 10.073 127 HB THR 15 HB THR 15 -10.648 -12.549 8.117 128 HG1 THR 15 HG1 THR 15 -9.717 -14.473 8.837 129 HG21 THR 15 1HG2 THR 15 -8.710 -11.047 8.215 130 HG22 THR 15 2HG2 THR 15 -8.219 -12.708 7.882 131 HG23 THR 15 3HG2 THR 15 -8.011 -12.033 9.498 132 H GLY 16 H GLY 16 -9.780 -9.903 11.705 133 HA2 GLY 16 2HA GLY 16 -8.667 -9.992 13.717 134 HA3 GLY 16 3HA GLY 16 -9.854 -11.227 14.112 135 H LYS 17 H LYS 17 -7.150 -11.212 11.801 136 HA LYS 17 HA LYS 17 -5.658 -13.100 13.401 137 HB2 LYS 17 2HB LYS 17 -6.955 -13.897 10.798 138 HB3 LYS 17 3HB LYS 17 -5.557 -14.742 11.451 139 HG2 LYS 17 2HG LYS 17 -6.860 -15.209 13.506 140 HG3 LYS 17 3HG LYS 17 -8.267 -14.475 12.734 141 HD2 LYS 17 2HD LYS 17 -8.645 -16.660 12.195 142 HD3 LYS 17 3HD LYS 17 -7.648 -16.196 10.815 143 HE2 LYS 17 2HE LYS 17 -5.807 -17.337 11.593 144 HE3 LYS 17 3HE LYS 17 -6.324 -17.238 13.275 145 HZ1 LYS 17 1HZ LYS 17 -7.592 -18.943 11.201 146 HZ2 LYS 17 2HZ LYS 17 -8.017 -18.880 12.836 147 HZ3 LYS 17 3HZ LYS 17 -6.507 -19.489 12.378 148 H CYS 18 H CYS 18 -3.507 -13.061 12.948 149 HA CYS 18 HA CYS 18 -2.649 -11.132 10.926 150 HB2 CYS 18 2HB CYS 18 -0.913 -12.468 13.000 151 HB3 CYS 18 3HB CYS 18 -0.590 -10.982 12.112 152 H GLN 19 H GLN 19 -1.512 -11.664 9.151 153 HA GLN 19 HA GLN 19 -0.441 -14.386 8.924 154 HB2 GLN 19 2HB GLN 19 -1.357 -13.822 6.370 155 HB3 GLN 19 3HB GLN 19 -2.090 -14.937 7.516 156 HG2 GLN 19 2HG GLN 19 -2.842 -12.115 7.845 157 HG3 GLN 19 3HG GLN 19 -3.383 -12.881 6.352 158 HE21 GLN 19 1HE2 GLN 19 -2.909 -14.660 9.302 159 HE22 GLN 19 2HE2 GLN 19 -4.578 -14.975 9.618 160 H ARG 20 H ARG 20 0.682 -14.441 6.556 161 HA ARG 20 HA ARG 20 2.487 -12.114 6.537 162 HB2 ARG 20 2HB ARG 20 3.069 -14.922 5.581 163 HB3 ARG 20 3HB ARG 20 4.213 -13.590 5.677 164 HG2 ARG 20 2HG ARG 20 4.776 -14.401 7.666 165 HG3 ARG 20 3HG ARG 20 3.234 -13.766 8.244 166 HD2 ARG 20 2HD ARG 20 2.551 -16.175 7.080 167 HD3 ARG 20 3HD ARG 20 4.097 -16.517 7.858 168 HE ARG 20 HE ARG 20 1.602 -16.127 9.147 169 HH11 ARG 20 1HH1 ARG 20 5.010 -15.502 9.488 170 HH12 ARG 20 2HH1 ARG 20 4.963 -15.468 11.220 171 HH21 ARG 20 1HH2 ARG 20 1.528 -16.084 11.427 172 HH22 ARG 20 2HH2 ARG 20 2.982 -15.801 12.321 173 H MET 21 H MET 21 2.419 -10.844 4.811 174 HA MET 21 HA MET 21 1.305 -11.936 2.312 175 HB2 MET 21 2HB MET 21 0.807 -9.463 1.824 176 HB3 MET 21 3HB MET 21 -0.203 -10.284 3.007 177 HG2 MET 21 2HG MET 21 1.168 -9.306 4.807 178 HG3 MET 21 3HG MET 21 2.089 -8.425 3.590 179 HE1 MET 21 1HE MET 21 0.462 -5.210 4.003 180 HE2 MET 21 2HE MET 21 1.891 -6.236 4.124 181 HE3 MET 21 3HE MET 21 1.133 -5.963 2.555 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -1.803 -2.935 -0.408 2 HA2 GLY 1 2HA GLY 1 -0.443 -4.775 -0.634 3 HA3 GLY 1 3HA GLY 1 -1.926 -5.691 -0.413 4 H SER 2 H SER 2 0.474 -4.640 -2.636 5 HA SER 2 HA SER 2 -0.845 -6.203 -4.755 6 HB2 SER 2 2HB SER 2 -1.053 -4.122 -5.713 7 HB3 SER 2 3HB SER 2 0.354 -3.475 -4.870 8 HG SER 2 HG SER 2 0.184 -4.728 -7.308 9 H LYS 3 H LYS 3 2.282 -4.810 -3.765 10 HA LYS 3 HA LYS 3 3.658 -7.056 -5.042 11 HB2 LYS 3 2HB LYS 3 4.245 -4.334 -4.847 12 HB3 LYS 3 3HB LYS 3 5.381 -5.108 -3.750 13 HG2 LYS 3 2HG LYS 3 6.454 -6.232 -5.431 14 HG3 LYS 3 3HG LYS 3 5.035 -6.238 -6.481 15 HD2 LYS 3 2HD LYS 3 6.475 -3.696 -5.783 16 HD3 LYS 3 3HD LYS 3 6.990 -4.715 -7.129 17 HE2 LYS 3 2HE LYS 3 4.130 -4.227 -7.153 18 HE3 LYS 3 3HE LYS 3 5.059 -2.729 -7.200 19 HZ1 LYS 3 1HZ LYS 3 5.873 -3.191 -9.236 20 HZ2 LYS 3 2HZ LYS 3 4.473 -4.130 -9.364 21 HZ3 LYS 3 3HZ LYS 3 5.947 -4.860 -8.971 22 H LYS 4 H LYS 4 5.535 -7.997 -3.845 23 HA LYS 4 HA LYS 4 4.832 -8.358 -1.007 24 HB2 LYS 4 2HB LYS 4 6.161 -10.267 -2.938 25 HB3 LYS 4 3HB LYS 4 5.973 -10.573 -1.216 26 HG2 LYS 4 2HG LYS 4 3.765 -11.030 -1.394 27 HG3 LYS 4 3HG LYS 4 3.521 -9.888 -2.717 28 HD2 LYS 4 2HD LYS 4 5.150 -12.347 -3.185 29 HD3 LYS 4 3HD LYS 4 3.389 -12.469 -3.147 30 HE2 LYS 4 2HE LYS 4 3.374 -10.567 -4.831 31 HE3 LYS 4 3HE LYS 4 5.107 -10.840 -5.004 32 HZ1 LYS 4 1HZ LYS 4 4.268 -13.299 -5.354 33 HZ2 LYS 4 2HZ LYS 4 4.346 -12.197 -6.635 34 HZ3 LYS 4 3HZ LYS 4 2.867 -12.503 -5.872 35 HA PRO 5 HA PRO 5 8.947 -6.261 -1.027 36 HB2 PRO 5 2HB PRO 5 8.411 -4.713 1.137 37 HB3 PRO 5 3HB PRO 5 7.963 -4.251 -0.509 38 HG2 PRO 5 2HG PRO 5 6.278 -5.480 1.639 39 HG3 PRO 5 3HG PRO 5 5.878 -4.165 0.518 40 HD2 PRO 5 2HD PRO 5 5.043 -6.712 0.134 41 HD3 PRO 5 3HD PRO 5 5.409 -5.614 -1.212 42 H VAL 6 H VAL 6 7.801 -6.148 2.261 43 HA VAL 6 HA VAL 6 9.839 -8.134 2.999 44 HB VAL 6 HB VAL 6 8.531 -6.027 4.726 45 HG11 VAL 6 1HG1 VAL 6 9.228 -8.060 5.944 46 HG12 VAL 6 2HG1 VAL 6 10.868 -7.836 5.333 47 HG13 VAL 6 3HG1 VAL 6 10.154 -6.634 6.409 48 HG21 VAL 6 1HG2 VAL 6 10.669 -5.851 2.848 49 HG22 VAL 6 2HG2 VAL 6 10.017 -4.596 3.902 50 HG23 VAL 6 3HG2 VAL 6 11.320 -5.638 4.474 51 HA PRO 7 HA PRO 7 6.603 -10.936 4.115 52 HB2 PRO 7 2HB PRO 7 8.128 -12.685 5.525 53 HB3 PRO 7 3HB PRO 7 8.146 -12.601 3.759 54 HG2 PRO 7 2HG PRO 7 10.066 -11.424 5.731 55 HG3 PRO 7 3HG PRO 7 10.403 -12.261 4.205 56 HD2 PRO 7 2HD PRO 7 10.452 -9.563 4.428 57 HD3 PRO 7 3HD PRO 7 9.962 -10.388 2.935 58 H ILE 8 H ILE 8 7.092 -8.531 5.786 59 HA ILE 8 HA ILE 8 7.251 -9.188 8.510 60 HB ILE 8 HB ILE 8 5.901 -6.990 8.778 61 HG12 ILE 8 2HG1 ILE 8 5.812 -5.562 6.837 62 HG13 ILE 8 3HG1 ILE 8 6.653 -6.760 5.859 63 HG21 ILE 8 1HG2 ILE 8 7.936 -6.182 9.134 64 HG22 ILE 8 2HG2 ILE 8 8.609 -7.576 8.291 65 HG23 ILE 8 3HG2 ILE 8 8.242 -6.100 7.399 66 HD11 ILE 8 1HD1 ILE 8 4.779 -8.188 5.831 67 HD12 ILE 8 2HD1 ILE 8 3.970 -7.270 7.101 68 HD13 ILE 8 3HD1 ILE 8 4.173 -6.566 5.498 69 H ILE 9 H ILE 9 5.344 -8.661 10.042 70 HA ILE 9 HA ILE 9 3.161 -10.441 9.288 71 HB ILE 9 HB ILE 9 4.094 -10.928 11.424 72 HG12 ILE 9 2HG1 ILE 9 2.152 -10.600 12.922 73 HG13 ILE 9 3HG1 ILE 9 1.493 -9.424 11.790 74 HG21 ILE 9 1HG2 ILE 9 5.231 -8.926 11.975 75 HG22 ILE 9 2HG2 ILE 9 3.733 -7.997 11.994 76 HG23 ILE 9 3HG2 ILE 9 4.045 -9.190 13.254 77 HD11 ILE 9 1HD1 ILE 9 2.071 -11.872 10.425 78 HD12 ILE 9 2HD1 ILE 9 1.065 -12.184 11.840 79 HD13 ILE 9 3HD1 ILE 9 0.534 -11.030 10.617 80 H TYR 10 H TYR 10 1.034 -9.855 9.170 81 HA TYR 10 HA TYR 10 0.351 -7.043 9.657 82 HB2 TYR 10 2HB TYR 10 -0.541 -6.686 7.552 83 HB3 TYR 10 3HB TYR 10 0.847 -7.697 7.166 84 HD1 TYR 10 HD1 TYR 10 0.470 -10.170 6.780 85 HD2 TYR 10 HD2 TYR 10 -2.726 -7.369 7.001 86 HE1 TYR 10 HE1 TYR 10 -1.010 -11.779 5.653 87 HE2 TYR 10 HE2 TYR 10 -4.215 -8.971 5.875 88 HH TYR 10 HH TYR 10 -4.200 -10.892 4.567 89 H CYS 11 H CYS 11 -1.569 -6.742 10.625 90 HA CYS 11 HA CYS 11 -3.156 -9.123 11.230 91 HB2 CYS 11 2HB CYS 11 -3.060 -6.362 12.449 92 HB3 CYS 11 3HB CYS 11 -4.272 -7.560 12.893 93 H ASN 12 H ASN 12 -4.820 -9.549 9.949 94 HA ASN 12 HA ASN 12 -6.098 -7.403 8.448 95 HB2 ASN 12 2HB ASN 12 -5.423 -9.920 7.710 96 HB3 ASN 12 3HB ASN 12 -7.101 -10.175 8.181 97 HD21 ASN 12 1HD2 ASN 12 -8.041 -7.594 7.451 98 HD22 ASN 12 2HD2 ASN 12 -8.045 -7.513 5.725 99 H ARG 13 H ARG 13 -7.307 -6.324 9.997 100 HA ARG 13 HA ARG 13 -8.872 -7.355 12.002 101 HB2 ARG 13 2HB ARG 13 -8.553 -4.850 10.741 102 HB3 ARG 13 3HB ARG 13 -10.280 -5.177 10.763 103 HG2 ARG 13 2HG ARG 13 -9.759 -5.813 13.277 104 HG3 ARG 13 3HG ARG 13 -8.404 -4.714 13.011 105 HD2 ARG 13 2HD ARG 13 -10.030 -3.014 12.197 106 HD3 ARG 13 3HD ARG 13 -11.336 -4.109 12.650 107 HE ARG 13 HE ARG 13 -11.046 -3.478 14.825 108 HH11 ARG 13 1HH1 ARG 13 -8.193 -2.627 13.020 109 HH12 ARG 13 2HH1 ARG 13 -7.459 -1.769 14.334 110 HH21 ARG 13 1HH2 ARG 13 -10.089 -2.352 16.563 111 HH22 ARG 13 2HH2 ARG 13 -8.538 -1.614 16.349 112 H ARG 14 H ARG 14 -9.564 -7.191 8.572 113 HA ARG 14 HA ARG 14 -12.295 -7.652 8.555 114 HB2 ARG 14 2HB ARG 14 -10.092 -8.423 6.665 115 HB3 ARG 14 3HB ARG 14 -11.751 -8.915 6.354 116 HG2 ARG 14 2HG ARG 14 -11.847 -6.979 5.230 117 HG3 ARG 14 3HG ARG 14 -12.103 -6.283 6.831 118 HD2 ARG 14 2HD ARG 14 -10.397 -4.959 6.054 119 HD3 ARG 14 3HD ARG 14 -9.486 -6.219 6.885 120 HE ARG 14 HE ARG 14 -9.633 -7.175 4.377 121 HH11 ARG 14 1HH1 ARG 14 -8.711 -4.070 5.654 122 HH12 ARG 14 2HH1 ARG 14 -7.596 -3.728 4.373 123 HH21 ARG 14 1HH2 ARG 14 -8.167 -6.737 2.685 124 HH22 ARG 14 2HH2 ARG 14 -7.288 -5.246 2.685 125 H THR 15 H THR 15 -9.638 -9.931 8.956 126 HA THR 15 HA THR 15 -11.610 -12.066 9.449 127 HB THR 15 HB THR 15 -10.346 -13.528 8.320 128 HG1 THR 15 HG1 THR 15 -7.899 -13.353 8.621 129 HG21 THR 15 1HG2 THR 15 -10.249 -11.633 6.775 130 HG22 THR 15 2HG2 THR 15 -8.782 -12.607 6.672 131 HG23 THR 15 3HG2 THR 15 -8.765 -11.074 7.544 132 H GLY 16 H GLY 16 -9.940 -9.910 11.123 133 HA2 GLY 16 2HA GLY 16 -8.981 -9.810 13.215 134 HA3 GLY 16 3HA GLY 16 -10.154 -11.061 13.599 135 H LYS 17 H LYS 17 -7.195 -11.007 11.614 136 HA LYS 17 HA LYS 17 -5.800 -12.730 13.443 137 HB2 LYS 17 2HB LYS 17 -5.887 -14.730 12.358 138 HB3 LYS 17 3HB LYS 17 -7.451 -14.105 11.851 139 HG2 LYS 17 2HG LYS 17 -6.287 -13.218 9.793 140 HG3 LYS 17 3HG LYS 17 -4.890 -14.178 10.284 141 HD2 LYS 17 2HD LYS 17 -7.485 -15.587 10.229 142 HD3 LYS 17 3HD LYS 17 -6.835 -15.095 8.664 143 HE2 LYS 17 2HE LYS 17 -5.912 -17.196 8.934 144 HE3 LYS 17 3HE LYS 17 -4.630 -16.150 9.542 145 HZ1 LYS 17 1HZ LYS 17 -6.635 -17.199 11.416 146 HZ2 LYS 17 2HZ LYS 17 -5.025 -16.767 11.699 147 HZ3 LYS 17 3HZ LYS 17 -5.384 -18.214 10.899 148 H CYS 18 H CYS 18 -3.615 -12.666 13.139 149 HA CYS 18 HA CYS 18 -2.670 -10.854 11.047 150 HB2 CYS 18 2HB CYS 18 -1.079 -11.955 13.364 151 HB3 CYS 18 3HB CYS 18 -0.702 -10.553 12.369 152 H GLN 19 H GLN 19 -1.358 -11.466 9.421 153 HA GLN 19 HA GLN 19 -0.133 -14.123 9.498 154 HB2 GLN 19 2HB GLN 19 -1.014 -13.803 6.853 155 HB3 GLN 19 3HB GLN 19 -1.592 -14.968 8.037 156 HG2 GLN 19 2HG GLN 19 -3.286 -13.381 8.782 157 HG3 GLN 19 3HG GLN 19 -2.703 -12.204 7.606 158 HE21 GLN 19 1HE2 GLN 19 -2.288 -13.788 5.413 159 HE22 GLN 19 2HE2 GLN 19 -3.797 -14.422 4.860 160 H ARG 20 H ARG 20 1.037 -14.302 7.121 161 HA ARG 20 HA ARG 20 2.721 -11.890 6.986 162 HB2 ARG 20 2HB ARG 20 4.502 -13.384 6.142 163 HB3 ARG 20 3HB ARG 20 3.955 -13.830 7.752 164 HG2 ARG 20 2HG ARG 20 2.346 -15.338 6.106 165 HG3 ARG 20 3HG ARG 20 3.904 -15.347 5.278 166 HD2 ARG 20 2HD ARG 20 4.020 -17.184 6.711 167 HD3 ARG 20 3HD ARG 20 4.898 -15.920 7.570 168 HE ARG 20 HE ARG 20 2.129 -16.024 8.284 169 HH11 ARG 20 1HH1 ARG 20 5.258 -17.434 8.871 170 HH12 ARG 20 2HH1 ARG 20 4.861 -17.970 10.470 171 HH21 ARG 20 1HH2 ARG 20 1.595 -16.725 10.388 172 HH22 ARG 20 2HH2 ARG 20 2.777 -17.567 11.332 173 H MET 21 H MET 21 2.646 -10.734 5.180 174 HA MET 21 HA MET 21 1.538 -11.992 2.761 175 HB2 MET 21 2HB MET 21 1.121 -9.559 2.078 176 HB3 MET 21 3HB MET 21 0.107 -10.225 3.350 177 HG2 MET 21 2HG MET 21 1.360 -9.086 5.037 178 HG3 MET 21 3HG MET 21 2.556 -8.557 3.855 179 HE1 MET 21 1HE MET 21 -1.808 -7.208 4.020 180 HE2 MET 21 2HE MET 21 -1.358 -8.209 2.639 181 HE3 MET 21 3HE MET 21 -1.164 -8.830 4.279 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.498 -10.988 -1.238 2 HA2 GLY 1 2HA GLY 1 -1.296 -9.612 -1.348 3 HA3 GLY 1 3HA GLY 1 -1.249 -11.273 -1.922 4 H SER 2 H SER 2 -0.846 -8.002 -2.740 5 HA SER 2 HA SER 2 -0.793 -8.629 -5.612 6 HB2 SER 2 2HB SER 2 -2.210 -6.746 -5.146 7 HB3 SER 2 3HB SER 2 -0.969 -5.989 -4.147 8 HG SER 2 HG SER 2 -1.345 -5.467 -6.601 9 H LYS 3 H LYS 3 1.056 -6.882 -3.122 10 HA LYS 3 HA LYS 3 3.499 -7.470 -4.661 11 HB2 LYS 3 2HB LYS 3 2.450 -4.938 -3.945 12 HB3 LYS 3 3HB LYS 3 3.871 -5.204 -2.944 13 HG2 LYS 3 2HG LYS 3 5.102 -5.786 -5.073 14 HG3 LYS 3 3HG LYS 3 3.698 -5.160 -5.941 15 HD2 LYS 3 2HD LYS 3 3.998 -2.986 -5.023 16 HD3 LYS 3 3HD LYS 3 5.202 -3.570 -3.872 17 HE2 LYS 3 2HE LYS 3 5.608 -3.781 -6.840 18 HE3 LYS 3 3HE LYS 3 6.040 -2.325 -5.945 19 HZ1 LYS 3 1HZ LYS 3 7.539 -3.607 -4.592 20 HZ2 LYS 3 2HZ LYS 3 7.914 -3.858 -6.221 21 HZ3 LYS 3 3HZ LYS 3 7.076 -5.045 -5.355 22 H LYS 4 H LYS 4 5.320 -8.083 -3.512 23 HA LYS 4 HA LYS 4 4.845 -8.746 -0.681 24 HB2 LYS 4 2HB LYS 4 6.692 -10.122 -2.641 25 HB3 LYS 4 3HB LYS 4 6.417 -10.598 -0.970 26 HG2 LYS 4 2HG LYS 4 3.881 -10.514 -2.121 27 HG3 LYS 4 3HG LYS 4 4.921 -11.259 -3.338 28 HD2 LYS 4 2HD LYS 4 5.709 -12.872 -1.672 29 HD3 LYS 4 3HD LYS 4 4.672 -12.124 -0.455 30 HE2 LYS 4 2HE LYS 4 2.990 -13.420 -1.100 31 HE3 LYS 4 3HE LYS 4 3.064 -12.712 -2.713 32 HZ1 LYS 4 1HZ LYS 4 5.138 -14.512 -2.611 33 HZ2 LYS 4 2HZ LYS 4 3.669 -14.708 -3.426 34 HZ3 LYS 4 3HZ LYS 4 3.850 -15.305 -1.854 35 HA PRO 5 HA PRO 5 8.219 -5.591 -0.703 36 HB2 PRO 5 2HB PRO 5 7.357 -4.337 1.545 37 HB3 PRO 5 3HB PRO 5 6.738 -3.954 -0.065 38 HG2 PRO 5 2HG PRO 5 5.539 -5.685 2.063 39 HG3 PRO 5 3HG PRO 5 4.750 -4.490 1.016 40 HD2 PRO 5 2HD PRO 5 4.636 -7.151 0.532 41 HD3 PRO 5 3HD PRO 5 4.635 -5.943 -0.769 42 H VAL 6 H VAL 6 7.208 -5.927 2.614 43 HA VAL 6 HA VAL 6 9.733 -7.320 3.200 44 HB VAL 6 HB VAL 6 8.151 -6.051 5.376 45 HG11 VAL 6 1HG1 VAL 6 11.101 -6.197 4.763 46 HG12 VAL 6 2HG1 VAL 6 10.382 -5.545 6.237 47 HG13 VAL 6 3HG1 VAL 6 10.217 -7.260 5.857 48 HG21 VAL 6 1HG2 VAL 6 9.533 -4.559 3.180 49 HG22 VAL 6 2HG2 VAL 6 7.975 -4.235 3.940 50 HG23 VAL 6 3HG2 VAL 6 9.469 -3.897 4.813 51 HA PRO 7 HA PRO 7 7.367 -10.892 4.313 52 HB2 PRO 7 2HB PRO 7 9.363 -12.250 5.554 53 HB3 PRO 7 3HB PRO 7 9.252 -12.099 3.796 54 HG2 PRO 7 2HG PRO 7 10.933 -10.548 5.728 55 HG3 PRO 7 3HG PRO 7 11.375 -11.216 4.145 56 HD2 PRO 7 2HD PRO 7 10.761 -8.603 4.504 57 HD3 PRO 7 3HD PRO 7 10.403 -9.470 2.997 58 H ILE 8 H ILE 8 7.315 -8.512 6.072 59 HA ILE 8 HA ILE 8 7.651 -9.503 8.760 60 HB ILE 8 HB ILE 8 7.124 -7.373 9.514 61 HG12 ILE 8 2HG1 ILE 8 4.918 -7.160 8.528 62 HG13 ILE 8 3HG1 ILE 8 5.852 -5.712 8.171 63 HG21 ILE 8 1HG2 ILE 8 8.674 -7.520 7.070 64 HG22 ILE 8 2HG2 ILE 8 7.979 -5.920 7.321 65 HG23 ILE 8 3HG2 ILE 8 9.001 -6.642 8.563 66 HD11 ILE 8 1HD1 ILE 8 4.579 -6.407 6.240 67 HD12 ILE 8 2HD1 ILE 8 6.306 -6.577 5.926 68 HD13 ILE 8 3HD1 ILE 8 5.332 -8.001 6.290 69 H ILE 9 H ILE 9 5.723 -9.058 10.310 70 HA ILE 9 HA ILE 9 3.486 -10.627 9.296 71 HB ILE 9 HB ILE 9 4.324 -11.408 11.381 72 HG12 ILE 9 2HG1 ILE 9 2.358 -11.143 12.866 73 HG13 ILE 9 3HG1 ILE 9 1.791 -9.820 11.854 74 HG21 ILE 9 1HG2 ILE 9 4.096 -8.549 12.286 75 HG22 ILE 9 2HG2 ILE 9 4.312 -9.897 13.401 76 HG23 ILE 9 3HG2 ILE 9 5.545 -9.549 12.190 77 HD11 ILE 9 1HD1 ILE 9 1.249 -12.555 11.587 78 HD12 ILE 9 2HD1 ILE 9 0.779 -11.244 10.504 79 HD13 ILE 9 3HD1 ILE 9 2.287 -12.117 10.230 80 H TYR 10 H TYR 10 1.389 -9.932 9.202 81 HA TYR 10 HA TYR 10 0.836 -7.151 9.970 82 HB2 TYR 10 2HB TYR 10 -0.031 -6.560 7.905 83 HB3 TYR 10 3HB TYR 10 1.317 -7.588 7.433 84 HD1 TYR 10 HD1 TYR 10 0.863 -9.961 6.752 85 HD2 TYR 10 HD2 TYR 10 -2.259 -7.132 7.346 86 HE1 TYR 10 HE1 TYR 10 -0.671 -11.395 5.471 87 HE2 TYR 10 HE2 TYR 10 -3.802 -8.558 6.068 88 HH TYR 10 HH TYR 10 -3.480 -10.396 4.189 89 H CYS 11 H CYS 11 -1.060 -6.856 10.979 90 HA CYS 11 HA CYS 11 -2.781 -9.195 11.332 91 HB2 CYS 11 2HB CYS 11 -2.507 -6.601 12.849 92 HB3 CYS 11 3HB CYS 11 -3.810 -7.745 13.156 93 H ASN 12 H ASN 12 -4.474 -9.382 10.035 94 HA ASN 12 HA ASN 12 -5.619 -7.016 8.776 95 HB2 ASN 12 2HB ASN 12 -5.097 -9.469 7.765 96 HB3 ASN 12 3HB ASN 12 -6.782 -9.685 8.231 97 HD21 ASN 12 1HD2 ASN 12 -7.658 -7.053 7.784 98 HD22 ASN 12 2HD2 ASN 12 -7.647 -6.766 6.080 99 H ARG 13 H ARG 13 -6.760 -6.033 10.434 100 HA ARG 13 HA ARG 13 -8.376 -7.160 12.340 101 HB2 ARG 13 2HB ARG 13 -8.882 -5.031 12.818 102 HB3 ARG 13 3HB ARG 13 -7.850 -4.592 11.463 103 HG2 ARG 13 2HG ARG 13 -9.817 -4.641 9.982 104 HG3 ARG 13 3HG ARG 13 -10.831 -5.001 11.380 105 HD2 ARG 13 2HD ARG 13 -9.045 -2.597 11.356 106 HD3 ARG 13 3HD ARG 13 -10.624 -2.553 10.573 107 HE ARG 13 HE ARG 13 -10.917 -3.546 13.185 108 HH11 ARG 13 1HH1 ARG 13 -10.164 -0.592 11.503 109 HH12 ARG 13 2HH1 ARG 13 -10.792 0.432 12.752 110 HH21 ARG 13 1HH2 ARG 13 -11.747 -2.209 14.836 111 HH22 ARG 13 2HH2 ARG 13 -11.691 -0.489 14.648 112 H ARG 14 H ARG 14 -9.067 -6.646 8.945 113 HA ARG 14 HA ARG 14 -11.825 -6.971 8.924 114 HB2 ARG 14 2HB ARG 14 -9.738 -7.774 6.896 115 HB3 ARG 14 3HB ARG 14 -11.466 -7.877 6.588 116 HG2 ARG 14 2HG ARG 14 -11.729 -5.598 6.504 117 HG3 ARG 14 3HG ARG 14 -10.306 -5.291 7.503 118 HD2 ARG 14 2HD ARG 14 -8.939 -5.234 5.730 119 HD3 ARG 14 3HD ARG 14 -9.693 -6.647 4.993 120 HE ARG 14 HE ARG 14 -11.318 -4.299 4.803 121 HH11 ARG 14 1HH1 ARG 14 -8.651 -6.020 3.371 122 HH12 ARG 14 2HH1 ARG 14 -8.878 -5.326 1.799 123 HH21 ARG 14 1HH2 ARG 14 -11.626 -3.378 2.738 124 HH22 ARG 14 2HH2 ARG 14 -10.569 -3.823 1.441 125 H THR 15 H THR 15 -9.267 -9.417 8.884 126 HA THR 15 HA THR 15 -11.317 -11.505 9.191 127 HB THR 15 HB THR 15 -10.078 -12.886 7.935 128 HG1 THR 15 HG1 THR 15 -7.563 -11.990 8.810 129 HG21 THR 15 1HG2 THR 15 -8.482 -11.832 6.396 130 HG22 THR 15 2HG2 THR 15 -8.446 -10.396 7.420 131 HG23 THR 15 3HG2 THR 15 -9.934 -10.851 6.590 132 H GLY 16 H GLY 16 -9.620 -9.615 11.128 133 HA2 GLY 16 2HA GLY 16 -8.684 -9.790 13.227 134 HA3 GLY 16 3HA GLY 16 -9.910 -11.029 13.451 135 H LYS 17 H LYS 17 -7.008 -10.976 11.399 136 HA LYS 17 HA LYS 17 -5.671 -12.908 13.080 137 HB2 LYS 17 2HB LYS 17 -6.744 -13.641 10.359 138 HB3 LYS 17 3HB LYS 17 -5.412 -14.510 11.111 139 HG2 LYS 17 2HG LYS 17 -6.890 -15.010 13.036 140 HG3 LYS 17 3HG LYS 17 -8.221 -14.248 12.163 141 HD2 LYS 17 2HD LYS 17 -8.080 -15.883 10.408 142 HD3 LYS 17 3HD LYS 17 -6.615 -16.574 11.110 143 HE2 LYS 17 2HE LYS 17 -7.782 -17.834 12.538 144 HE3 LYS 17 3HE LYS 17 -8.817 -16.485 13.003 145 HZ1 LYS 17 1HZ LYS 17 -10.296 -17.919 12.018 146 HZ2 LYS 17 2HZ LYS 17 -9.194 -18.455 10.852 147 HZ3 LYS 17 3HZ LYS 17 -9.898 -16.924 10.709 148 H CYS 18 H CYS 18 -3.484 -12.914 12.787 149 HA CYS 18 HA CYS 18 -2.443 -10.930 10.907 150 HB2 CYS 18 2HB CYS 18 -0.913 -12.355 13.084 151 HB3 CYS 18 3HB CYS 18 -0.474 -10.865 12.255 152 H GLN 19 H GLN 19 -1.160 -11.423 9.220 153 HA GLN 19 HA GLN 19 -0.105 -14.149 8.993 154 HB2 GLN 19 2HB GLN 19 -0.833 -13.473 6.392 155 HB3 GLN 19 3HB GLN 19 -1.617 -14.658 7.428 156 HG2 GLN 19 2HG GLN 19 -2.386 -11.782 7.618 157 HG3 GLN 19 3HG GLN 19 -3.010 -12.779 6.305 158 HE21 GLN 19 1HE2 GLN 19 -5.036 -12.108 7.458 159 HE22 GLN 19 2HE2 GLN 19 -5.607 -13.150 8.712 160 H ARG 20 H ARG 20 1.188 -14.145 6.709 161 HA ARG 20 HA ARG 20 3.008 -11.837 6.895 162 HB2 ARG 20 2HB ARG 20 4.761 -13.340 6.038 163 HB3 ARG 20 3HB ARG 20 4.072 -13.926 7.546 164 HG2 ARG 20 2HG ARG 20 3.832 -15.884 6.532 165 HG3 ARG 20 3HG ARG 20 2.527 -15.140 5.606 166 HD2 ARG 20 2HD ARG 20 3.759 -15.760 3.829 167 HD3 ARG 20 3HD ARG 20 4.682 -14.305 4.201 168 HE ARG 20 HE ARG 20 5.864 -16.236 5.708 169 HH11 ARG 20 1HH1 ARG 20 5.110 -15.906 2.325 170 HH12 ARG 20 2HH1 ARG 20 6.453 -16.866 1.798 171 HH21 ARG 20 1HH2 ARG 20 7.635 -17.501 5.027 172 HH22 ARG 20 2HH2 ARG 20 7.888 -17.774 3.336 173 H MET 21 H MET 21 3.102 -10.523 5.202 174 HA MET 21 HA MET 21 2.101 -11.507 2.612 175 HB2 MET 21 2HB MET 21 1.801 -9.001 2.146 176 HB3 MET 21 3HB MET 21 0.676 -9.763 3.262 177 HG2 MET 21 2HG MET 21 1.836 -8.848 5.149 178 HG3 MET 21 3HG MET 21 3.112 -8.217 4.109 179 HE1 MET 21 1HE MET 21 -0.810 -7.527 2.764 180 HE2 MET 21 2HE MET 21 -0.585 -8.525 4.200 181 HE3 MET 21 3HE MET 21 -1.215 -6.885 4.356 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -2.984 -8.532 -6.575 2 HA2 GLY 1 2HA GLY 1 -0.946 -8.778 -4.541 3 HA3 GLY 1 3HA GLY 1 -0.631 -9.730 -5.985 4 H SER 2 H SER 2 0.189 -6.964 -4.554 5 HA SER 2 HA SER 2 0.396 -5.467 -7.082 6 HB2 SER 2 2HB SER 2 -0.032 -4.616 -4.262 7 HB3 SER 2 3HB SER 2 0.952 -3.566 -5.282 8 HG SER 2 HG SER 2 -1.700 -4.443 -5.786 9 H LYS 3 H LYS 3 2.160 -5.547 -3.984 10 HA LYS 3 HA LYS 3 4.638 -6.088 -5.442 11 HB2 LYS 3 2HB LYS 3 4.078 -3.682 -3.738 12 HB3 LYS 3 3HB LYS 3 5.713 -4.316 -3.867 13 HG2 LYS 3 2HG LYS 3 4.522 -4.049 -6.472 14 HG3 LYS 3 3HG LYS 3 4.450 -2.524 -5.586 15 HD2 LYS 3 2HD LYS 3 6.973 -3.256 -5.025 16 HD3 LYS 3 3HD LYS 3 6.785 -4.029 -6.600 17 HE2 LYS 3 2HE LYS 3 6.449 -2.011 -7.691 18 HE3 LYS 3 3HE LYS 3 5.963 -1.179 -6.215 19 HZ1 LYS 3 1HZ LYS 3 8.635 -2.166 -6.053 20 HZ2 LYS 3 2HZ LYS 3 8.053 -0.597 -5.806 21 HZ3 LYS 3 3HZ LYS 3 8.441 -1.120 -7.368 22 H LYS 4 H LYS 4 6.241 -7.107 -4.228 23 HA LYS 4 HA LYS 4 5.351 -8.087 -1.594 24 HB2 LYS 4 2HB LYS 4 7.202 -9.456 -3.555 25 HB3 LYS 4 3HB LYS 4 6.639 -10.112 -2.023 26 HG2 LYS 4 2HG LYS 4 4.858 -10.963 -3.017 27 HG3 LYS 4 3HG LYS 4 4.374 -9.360 -3.575 28 HD2 LYS 4 2HD LYS 4 4.586 -10.620 -5.538 29 HD3 LYS 4 3HD LYS 4 6.088 -9.696 -5.447 30 HE2 LYS 4 2HE LYS 4 7.334 -11.544 -5.249 31 HE3 LYS 4 3HE LYS 4 6.236 -12.262 -4.072 32 HZ1 LYS 4 1HZ LYS 4 6.544 -13.358 -6.381 33 HZ2 LYS 4 2HZ LYS 4 5.463 -12.168 -6.908 34 HZ3 LYS 4 3HZ LYS 4 4.996 -13.263 -5.707 35 HA PRO 5 HA PRO 5 9.128 -5.543 -0.821 36 HB2 PRO 5 2HB PRO 5 8.209 -4.495 1.509 37 HB3 PRO 5 3HB PRO 5 7.838 -3.795 -0.071 38 HG2 PRO 5 2HG PRO 5 6.168 -5.592 1.644 39 HG3 PRO 5 3HG PRO 5 5.684 -4.152 0.730 40 HD2 PRO 5 2HD PRO 5 5.240 -6.666 -0.172 41 HD3 PRO 5 3HD PRO 5 5.562 -5.303 -1.263 42 H VAL 6 H VAL 6 7.711 -6.175 2.299 43 HA VAL 6 HA VAL 6 9.803 -8.189 2.814 44 HB VAL 6 HB VAL 6 8.658 -6.198 4.778 45 HG11 VAL 6 1HG1 VAL 6 10.912 -8.171 5.128 46 HG12 VAL 6 2HG1 VAL 6 10.294 -7.048 6.340 47 HG13 VAL 6 3HG1 VAL 6 9.282 -8.375 5.768 48 HG21 VAL 6 1HG2 VAL 6 11.176 -6.257 3.166 49 HG22 VAL 6 2HG2 VAL 6 10.069 -4.917 3.463 50 HG23 VAL 6 3HG2 VAL 6 11.152 -5.466 4.742 51 HA PRO 7 HA PRO 7 6.454 -10.919 3.760 52 HB2 PRO 7 2HB PRO 7 7.921 -12.872 4.944 53 HB3 PRO 7 3HB PRO 7 7.894 -12.617 3.195 54 HG2 PRO 7 2HG PRO 7 9.929 -11.737 5.207 55 HG3 PRO 7 3HG PRO 7 10.178 -12.437 3.596 56 HD2 PRO 7 2HD PRO 7 10.378 -9.780 4.077 57 HD3 PRO 7 3HD PRO 7 9.803 -10.429 2.528 58 H ILE 8 H ILE 8 7.117 -8.717 5.637 59 HA ILE 8 HA ILE 8 7.317 -9.644 8.279 60 HB ILE 8 HB ILE 8 6.094 -7.418 8.802 61 HG12 ILE 8 2HG1 ILE 8 6.028 -5.804 7.012 62 HG13 ILE 8 3HG1 ILE 8 6.775 -6.942 5.895 63 HG21 ILE 8 1HG2 ILE 8 8.364 -6.358 7.589 64 HG22 ILE 8 2HG2 ILE 8 8.226 -6.965 9.238 65 HG23 ILE 8 3HG2 ILE 8 8.779 -8.033 7.948 66 HD11 ILE 8 1HD1 ILE 8 4.298 -6.586 5.641 67 HD12 ILE 8 2HD1 ILE 8 4.826 -8.262 5.793 68 HD13 ILE 8 3HD1 ILE 8 4.106 -7.437 7.174 69 H ILE 9 H ILE 9 5.484 -9.175 9.917 70 HA ILE 9 HA ILE 9 3.189 -10.759 9.068 71 HB ILE 9 HB ILE 9 4.152 -11.501 11.114 72 HG12 ILE 9 2HG1 ILE 9 2.275 -11.214 12.704 73 HG13 ILE 9 3HG1 ILE 9 1.648 -9.906 11.707 74 HG21 ILE 9 1HG2 ILE 9 4.250 -9.949 13.104 75 HG22 ILE 9 2HG2 ILE 9 5.415 -9.631 11.820 76 HG23 ILE 9 3HG2 ILE 9 3.975 -8.624 11.973 77 HD11 ILE 9 1HD1 ILE 9 2.048 -12.224 10.090 78 HD12 ILE 9 2HD1 ILE 9 1.094 -12.645 11.513 79 HD13 ILE 9 3HD1 ILE 9 0.558 -11.349 10.443 80 H TYR 10 H TYR 10 1.091 -10.060 9.085 81 HA TYR 10 HA TYR 10 0.588 -7.265 9.835 82 HB2 TYR 10 2HB TYR 10 -0.381 -6.700 7.812 83 HB3 TYR 10 3HB TYR 10 0.922 -7.756 7.279 84 HD1 TYR 10 HD1 TYR 10 -2.643 -7.240 7.386 85 HD2 TYR 10 HD2 TYR 10 0.390 -10.141 6.684 86 HE1 TYR 10 HE1 TYR 10 -4.280 -8.664 6.228 87 HE2 TYR 10 HE2 TYR 10 -1.239 -11.572 5.524 88 HH TYR 10 HH TYR 10 -3.418 -11.268 4.306 89 H CYS 11 H CYS 11 -1.249 -6.949 10.943 90 HA CYS 11 HA CYS 11 -2.941 -9.279 11.447 91 HB2 CYS 11 2HB CYS 11 -2.605 -6.635 12.862 92 HB3 CYS 11 3HB CYS 11 -3.888 -7.769 13.271 93 H ASN 12 H ASN 12 -4.714 -9.519 10.272 94 HA ASN 12 HA ASN 12 -5.949 -7.186 9.019 95 HB2 ASN 12 2HB ASN 12 -5.446 -9.734 8.087 96 HB3 ASN 12 3HB ASN 12 -7.164 -9.793 8.470 97 HD21 ASN 12 1HD2 ASN 12 -7.877 -9.872 6.388 98 HD22 ASN 12 2HD2 ASN 12 -7.719 -8.559 5.276 99 H ARG 13 H ARG 13 -7.101 -6.209 10.649 100 HA ARG 13 HA ARG 13 -8.585 -7.371 12.653 101 HB2 ARG 13 2HB ARG 13 -9.203 -5.262 13.117 102 HB3 ARG 13 3HB ARG 13 -8.159 -4.806 11.778 103 HG2 ARG 13 2HG ARG 13 -10.105 -4.915 10.266 104 HG3 ARG 13 3HG ARG 13 -11.130 -5.273 11.657 105 HD2 ARG 13 2HD ARG 13 -9.417 -2.806 11.426 106 HD3 ARG 13 3HD ARG 13 -11.110 -2.870 10.940 107 HE ARG 13 HE ARG 13 -10.089 -2.687 13.605 108 HH11 ARG 13 1HH1 ARG 13 -12.738 -3.853 11.670 109 HH12 ARG 13 2HH1 ARG 13 -13.883 -3.795 12.969 110 HH21 ARG 13 1HH2 ARG 13 -11.587 -2.605 15.323 111 HH22 ARG 13 2HH2 ARG 13 -13.228 -3.084 15.046 112 H ARG 14 H ARG 14 -9.398 -6.977 9.277 113 HA ARG 14 HA ARG 14 -12.146 -7.358 9.342 114 HB2 ARG 14 2HB ARG 14 -10.050 -8.082 7.310 115 HB3 ARG 14 3HB ARG 14 -11.748 -8.450 7.038 116 HG2 ARG 14 2HG ARG 14 -12.062 -6.400 6.278 117 HG3 ARG 14 3HG ARG 14 -11.592 -5.748 7.849 118 HD2 ARG 14 2HD ARG 14 -9.231 -5.832 7.146 119 HD3 ARG 14 3HD ARG 14 -9.742 -6.418 5.563 120 HE ARG 14 HE ARG 14 -9.865 -3.715 6.535 121 HH11 ARG 14 1HH1 ARG 14 -11.179 -6.012 4.273 122 HH12 ARG 14 2HH1 ARG 14 -11.726 -4.802 3.162 123 HH21 ARG 14 1HH2 ARG 14 -10.582 -2.111 5.080 124 HH22 ARG 14 2HH2 ARG 14 -11.385 -2.583 3.621 125 H THR 15 H THR 15 -9.543 -9.757 9.319 126 HA THR 15 HA THR 15 -11.544 -11.865 9.783 127 HB THR 15 HB THR 15 -10.337 -13.272 8.524 128 HG1 THR 15 HG1 THR 15 -8.590 -13.881 9.542 129 HG21 THR 15 1HG2 THR 15 -8.812 -12.252 6.890 130 HG22 THR 15 2HG2 THR 15 -8.768 -10.778 7.857 131 HG23 THR 15 3HG2 THR 15 -10.275 -11.291 7.099 132 H GLY 16 H GLY 16 -9.800 -9.876 11.574 133 HA2 GLY 16 2HA GLY 16 -8.788 -9.953 13.641 134 HA3 GLY 16 3HA GLY 16 -9.965 -11.220 13.956 135 H LYS 17 H LYS 17 -7.178 -11.181 11.756 136 HA LYS 17 HA LYS 17 -5.689 -12.986 13.451 137 HB2 LYS 17 2HB LYS 17 -6.891 -13.887 10.837 138 HB3 LYS 17 3HB LYS 17 -5.493 -14.679 11.553 139 HG2 LYS 17 2HG LYS 17 -6.843 -15.123 13.581 140 HG3 LYS 17 3HG LYS 17 -8.244 -14.439 12.753 141 HD2 LYS 17 2HD LYS 17 -8.175 -16.157 11.084 142 HD3 LYS 17 3HD LYS 17 -6.637 -16.764 11.701 143 HE2 LYS 17 2HE LYS 17 -8.771 -16.651 13.702 144 HE3 LYS 17 3HE LYS 17 -9.104 -17.742 12.358 145 HZ1 LYS 17 1HZ LYS 17 -6.433 -18.026 13.309 146 HZ2 LYS 17 2HZ LYS 17 -7.638 -19.199 13.130 147 HZ3 LYS 17 3HZ LYS 17 -7.554 -18.283 14.549 148 H CYS 18 H CYS 18 -3.522 -12.950 13.031 149 HA CYS 18 HA CYS 18 -2.648 -11.028 11.010 150 HB2 CYS 18 2HB CYS 18 -0.938 -12.332 13.125 151 HB3 CYS 18 3HB CYS 18 -0.611 -10.851 12.231 152 H GLN 19 H GLN 19 -1.479 -11.561 9.257 153 HA GLN 19 HA GLN 19 -0.381 -14.276 9.067 154 HB2 GLN 19 2HB GLN 19 -1.247 -13.722 6.491 155 HB3 GLN 19 3HB GLN 19 -1.992 -14.843 7.622 156 HG2 GLN 19 2HG GLN 19 -2.771 -12.020 7.915 157 HG3 GLN 19 3HG GLN 19 -3.294 -12.819 6.433 158 HE21 GLN 19 1HE2 GLN 19 -2.824 -14.570 9.393 159 HE22 GLN 19 2HE2 GLN 19 -4.493 -14.882 9.712 160 H ARG 20 H ARG 20 0.789 -14.331 6.719 161 HA ARG 20 HA ARG 20 2.620 -12.028 6.770 162 HB2 ARG 20 2HB ARG 20 3.101 -14.839 5.763 163 HB3 ARG 20 3HB ARG 20 4.283 -13.537 5.763 164 HG2 ARG 20 2HG ARG 20 4.914 -14.128 7.796 165 HG3 ARG 20 3HG ARG 20 3.294 -13.767 8.398 166 HD2 ARG 20 2HD ARG 20 3.276 -15.947 8.952 167 HD3 ARG 20 3HD ARG 20 2.884 -16.183 7.249 168 HE ARG 20 HE ARG 20 5.681 -16.117 7.579 169 HH11 ARG 20 1HH1 ARG 20 2.922 -18.137 8.235 170 HH12 ARG 20 2HH1 ARG 20 3.824 -19.614 8.172 171 HH21 ARG 20 1HH2 ARG 20 6.880 -18.056 7.493 172 HH22 ARG 20 2HH2 ARG 20 6.076 -19.567 7.751 173 H MET 21 H MET 21 2.574 -10.677 5.105 174 HA MET 21 HA MET 21 1.645 -11.682 2.498 175 HB2 MET 21 2HB MET 21 0.611 -9.448 2.117 176 HB3 MET 21 3HB MET 21 -0.147 -10.363 3.414 177 HG2 MET 21 2HG MET 21 -0.007 -8.340 4.423 178 HG3 MET 21 3HG MET 21 1.556 -9.001 4.895 179 HE1 MET 21 1HE MET 21 0.525 -5.652 4.478 180 HE2 MET 21 2HE MET 21 1.763 -6.401 5.486 181 HE3 MET 21 3HE MET 21 2.213 -5.173 4.303 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -3.033 -6.775 -1.051 2 HA2 GLY 1 2HA GLY 1 -1.715 -4.777 -1.311 3 HA3 GLY 1 3HA GLY 1 -0.279 -5.732 -0.973 4 H SER 2 H SER 2 0.434 -4.557 -2.960 5 HA SER 2 HA SER 2 -0.626 -5.708 -5.435 6 HB2 SER 2 2HB SER 2 1.538 -3.816 -5.809 7 HB3 SER 2 3HB SER 2 -0.127 -3.737 -6.385 8 HG SER 2 HG SER 2 0.988 -2.742 -4.008 9 H LYS 3 H LYS 3 2.478 -5.215 -3.772 10 HA LYS 3 HA LYS 3 3.544 -7.511 -5.282 11 HB2 LYS 3 2HB LYS 3 5.746 -6.480 -5.217 12 HB3 LYS 3 3HB LYS 3 4.593 -5.395 -5.983 13 HG2 LYS 3 2HG LYS 3 4.695 -4.875 -3.166 14 HG3 LYS 3 3HG LYS 3 6.321 -4.840 -3.851 15 HD2 LYS 3 2HD LYS 3 4.178 -3.447 -5.356 16 HD3 LYS 3 3HD LYS 3 4.720 -2.708 -3.848 17 HE2 LYS 3 2HE LYS 3 7.101 -3.237 -4.915 18 HE3 LYS 3 3HE LYS 3 6.170 -3.110 -6.406 19 HZ1 LYS 3 1HZ LYS 3 5.403 -0.964 -4.856 20 HZ2 LYS 3 2HZ LYS 3 6.390 -0.926 -6.229 21 HZ3 LYS 3 3HZ LYS 3 7.085 -1.045 -4.691 22 H LYS 4 H LYS 4 5.445 -8.546 -4.133 23 HA LYS 4 HA LYS 4 4.862 -8.691 -1.249 24 HB2 LYS 4 2HB LYS 4 5.846 -10.814 -3.157 25 HB3 LYS 4 3HB LYS 4 5.825 -11.016 -1.410 26 HG2 LYS 4 2HG LYS 4 3.253 -10.135 -2.292 27 HG3 LYS 4 3HG LYS 4 3.759 -11.535 -3.240 28 HD2 LYS 4 2HD LYS 4 4.038 -11.533 -0.257 29 HD3 LYS 4 3HD LYS 4 2.488 -11.910 -1.013 30 HE2 LYS 4 2HE LYS 4 3.166 -13.970 -1.500 31 HE3 LYS 4 3HE LYS 4 4.602 -13.353 -2.315 32 HZ1 LYS 4 1HZ LYS 4 5.090 -13.068 0.381 33 HZ2 LYS 4 2HZ LYS 4 5.775 -14.211 -0.660 34 HZ3 LYS 4 3HZ LYS 4 4.385 -14.598 0.224 35 HA PRO 5 HA PRO 5 9.150 -7.010 -1.601 36 HB2 PRO 5 2HB PRO 5 8.885 -5.301 0.491 37 HB3 PRO 5 3HB PRO 5 8.391 -4.888 -1.155 38 HG2 PRO 5 2HG PRO 5 6.720 -5.827 1.144 39 HG3 PRO 5 3HG PRO 5 6.384 -4.543 -0.031 40 HD2 PRO 5 2HD PRO 5 5.291 -7.013 -0.220 41 HD3 PRO 5 3HD PRO 5 5.684 -6.031 -1.646 42 H VAL 6 H VAL 6 8.205 -6.605 1.728 43 HA VAL 6 HA VAL 6 10.131 -8.683 2.492 44 HB VAL 6 HB VAL 6 8.939 -6.474 4.174 45 HG11 VAL 6 1HG1 VAL 6 11.218 -8.351 4.792 46 HG12 VAL 6 2HG1 VAL 6 10.572 -7.090 5.845 47 HG13 VAL 6 3HG1 VAL 6 9.585 -8.495 5.441 48 HG21 VAL 6 1HG2 VAL 6 11.434 -5.730 4.063 49 HG22 VAL 6 2HG2 VAL 6 11.462 -6.696 2.587 50 HG23 VAL 6 3HG2 VAL 6 10.343 -5.340 2.733 51 HA PRO 7 HA PRO 7 6.813 -11.321 3.756 52 HB2 PRO 7 2HB PRO 7 8.297 -13.082 5.193 53 HB3 PRO 7 3HB PRO 7 8.283 -13.055 3.426 54 HG2 PRO 7 2HG PRO 7 10.286 -11.891 5.323 55 HG3 PRO 7 3HG PRO 7 10.560 -12.789 3.818 56 HD2 PRO 7 2HD PRO 7 10.717 -10.089 3.954 57 HD3 PRO 7 3HD PRO 7 10.166 -10.941 2.497 58 H ILE 8 H ILE 8 7.427 -8.885 5.339 59 HA ILE 8 HA ILE 8 7.614 -9.461 8.080 60 HB ILE 8 HB ILE 8 6.355 -7.206 8.303 61 HG12 ILE 8 2HG1 ILE 8 6.283 -5.837 6.318 62 HG13 ILE 8 3HG1 ILE 8 7.056 -7.098 5.364 63 HG21 ILE 8 1HG2 ILE 8 8.526 -6.841 8.738 64 HG22 ILE 8 2HG2 ILE 8 9.066 -7.829 7.381 65 HG23 ILE 8 3HG2 ILE 8 8.563 -6.160 7.111 66 HD11 ILE 8 1HD1 ILE 8 4.383 -7.465 6.675 67 HD12 ILE 8 2HD1 ILE 8 4.578 -6.817 5.046 68 HD13 ILE 8 3HD1 ILE 8 5.129 -8.451 5.418 69 H ILE 9 H ILE 9 5.759 -8.813 9.630 70 HA ILE 9 HA ILE 9 3.500 -10.536 8.982 71 HB ILE 9 HB ILE 9 4.443 -10.973 11.120 72 HG12 ILE 9 2HG1 ILE 9 2.547 -10.487 12.640 73 HG13 ILE 9 3HG1 ILE 9 1.916 -9.343 11.461 74 HG21 ILE 9 1HG2 ILE 9 4.504 -9.160 12.876 75 HG22 ILE 9 2HG2 ILE 9 5.679 -9.008 11.571 76 HG23 ILE 9 3HG2 ILE 9 4.227 -8.008 11.570 77 HD11 ILE 9 1HD1 ILE 9 1.396 -12.089 11.655 78 HD12 ILE 9 2HD1 ILE 9 0.859 -10.967 10.403 79 HD13 ILE 9 3HD1 ILE 9 2.363 -11.865 10.197 80 H TYR 10 H TYR 10 1.392 -9.881 8.877 81 HA TYR 10 HA TYR 10 0.829 -7.020 9.227 82 HB2 TYR 10 2HB TYR 10 -0.121 -6.760 7.136 83 HB3 TYR 10 3HB TYR 10 1.202 -7.860 6.767 84 HD1 TYR 10 HD1 TYR 10 -2.368 -7.386 6.760 85 HD2 TYR 10 HD2 TYR 10 0.707 -10.316 6.518 86 HE1 TYR 10 HE1 TYR 10 -3.973 -8.983 5.800 87 HE2 TYR 10 HE2 TYR 10 -0.889 -11.920 5.556 88 HH TYR 10 HH TYR 10 -3.968 -10.999 4.429 89 H CYS 11 H CYS 11 -1.028 -6.586 10.258 90 HA CYS 11 HA CYS 11 -2.677 -8.853 11.082 91 HB2 CYS 11 2HB CYS 11 -2.397 -6.025 12.089 92 HB3 CYS 11 3HB CYS 11 -3.696 -7.084 12.629 93 H ASN 12 H ASN 12 -4.443 -9.309 9.963 94 HA ASN 12 HA ASN 12 -5.691 -7.249 8.315 95 HB2 ASN 12 2HB ASN 12 -5.143 -9.856 7.782 96 HB3 ASN 12 3HB ASN 12 -6.818 -9.980 8.311 97 HD21 ASN 12 1HD2 ASN 12 -7.609 -7.396 7.379 98 HD22 ASN 12 2HD2 ASN 12 -7.669 -7.474 5.654 99 H ARG 13 H ARG 13 -6.866 -5.990 9.710 100 HA ARG 13 HA ARG 13 -8.370 -6.807 11.886 101 HB2 ARG 13 2HB ARG 13 -8.793 -4.618 12.029 102 HB3 ARG 13 3HB ARG 13 -7.936 -4.413 10.507 103 HG2 ARG 13 2HG ARG 13 -10.039 -4.703 9.288 104 HG3 ARG 13 3HG ARG 13 -10.893 -4.890 10.822 105 HD2 ARG 13 2HD ARG 13 -9.215 -2.465 10.361 106 HD3 ARG 13 3HD ARG 13 -10.809 -2.568 9.613 107 HE ARG 13 HE ARG 13 -10.231 -2.105 12.372 108 HH11 ARG 13 1HH1 ARG 13 -12.551 -3.483 10.173 109 HH12 ARG 13 2HH1 ARG 13 -13.889 -3.290 11.257 110 HH21 ARG 13 1HH2 ARG 13 -11.984 -1.845 13.809 111 HH22 ARG 13 2HH2 ARG 13 -13.565 -2.357 13.325 112 H ARG 14 H ARG 14 -9.059 -7.078 8.502 113 HA ARG 14 HA ARG 14 -11.838 -7.306 8.533 114 HB2 ARG 14 2HB ARG 14 -9.825 -8.703 6.761 115 HB3 ARG 14 3HB ARG 14 -11.555 -8.640 6.452 116 HG2 ARG 14 2HG ARG 14 -9.687 -6.281 6.571 117 HG3 ARG 14 3HG ARG 14 -10.375 -7.000 5.114 118 HD2 ARG 14 2HD ARG 14 -12.593 -6.510 6.659 119 HD3 ARG 14 3HD ARG 14 -11.552 -5.134 7.025 120 HE ARG 14 HE ARG 14 -11.733 -5.637 4.220 121 HH11 ARG 14 1HH1 ARG 14 -13.363 -4.172 6.925 122 HH12 ARG 14 2HH1 ARG 14 -14.231 -3.032 5.952 123 HH21 ARG 14 1HH2 ARG 14 -12.870 -4.141 2.928 124 HH22 ARG 14 2HH2 ARG 14 -13.951 -3.015 3.679 125 H THR 15 H THR 15 -9.343 -9.774 9.026 126 HA THR 15 HA THR 15 -11.449 -11.638 9.901 127 HB THR 15 HB THR 15 -10.307 -12.658 8.102 128 HG1 THR 15 HG1 THR 15 -9.334 -14.429 9.141 129 HG21 THR 15 1HG2 THR 15 -7.704 -11.927 9.450 130 HG22 THR 15 2HG2 THR 15 -8.381 -11.129 8.030 131 HG23 THR 15 3HG2 THR 15 -7.879 -12.817 7.938 132 H GLY 16 H GLY 16 -9.565 -9.472 11.253 133 HA2 GLY 16 2HA GLY 16 -8.486 -9.225 13.270 134 HA3 GLY 16 3HA GLY 16 -9.662 -10.403 13.834 135 H LYS 17 H LYS 17 -6.892 -10.676 11.616 136 HA LYS 17 HA LYS 17 -5.427 -12.287 13.515 137 HB2 LYS 17 2HB LYS 17 -6.618 -13.469 11.011 138 HB3 LYS 17 3HB LYS 17 -5.231 -14.185 11.821 139 HG2 LYS 17 2HG LYS 17 -6.596 -14.390 13.877 140 HG3 LYS 17 3HG LYS 17 -7.987 -13.792 12.968 141 HD2 LYS 17 2HD LYS 17 -6.705 -15.945 11.550 142 HD3 LYS 17 3HD LYS 17 -7.106 -16.443 13.195 143 HE2 LYS 17 2HE LYS 17 -9.168 -14.956 11.664 144 HE3 LYS 17 3HE LYS 17 -8.840 -16.620 11.184 145 HZ1 LYS 17 1HZ LYS 17 -10.239 -17.177 12.802 146 HZ2 LYS 17 2HZ LYS 17 -10.226 -15.629 13.484 147 HZ3 LYS 17 3HZ LYS 17 -9.023 -16.745 13.896 148 H CYS 18 H CYS 18 -3.262 -12.266 13.133 149 HA CYS 18 HA CYS 18 -2.364 -10.629 10.882 150 HB2 CYS 18 2HB CYS 18 -0.686 -11.606 13.191 151 HB3 CYS 18 3HB CYS 18 -0.354 -10.261 12.104 152 H GLN 19 H GLN 19 -1.151 -11.387 9.246 153 HA GLN 19 HA GLN 19 -0.020 -14.085 9.457 154 HB2 GLN 19 2HB GLN 19 -0.856 -13.926 6.820 155 HB3 GLN 19 3HB GLN 19 -1.604 -14.881 8.093 156 HG2 GLN 19 2HG GLN 19 -2.428 -12.062 7.979 157 HG3 GLN 19 3HG GLN 19 -2.901 -13.053 6.600 158 HE21 GLN 19 1HE2 GLN 19 -2.491 -14.369 9.791 159 HE22 GLN 19 2HE2 GLN 19 -4.162 -14.677 10.099 160 H ARG 20 H ARG 20 1.190 -14.461 7.164 161 HA ARG 20 HA ARG 20 2.947 -12.117 6.859 162 HB2 ARG 20 2HB ARG 20 4.706 -13.712 6.202 163 HB3 ARG 20 3HB ARG 20 4.095 -14.034 7.819 164 HG2 ARG 20 2HG ARG 20 2.572 -15.758 6.702 165 HG3 ARG 20 3HG ARG 20 3.625 -15.580 5.297 166 HD2 ARG 20 2HD ARG 20 5.202 -15.898 7.673 167 HD3 ARG 20 3HD ARG 20 4.021 -17.202 7.559 168 HE ARG 20 HE ARG 20 5.143 -18.025 5.732 169 HH11 ARG 20 1HH1 ARG 20 6.292 -14.820 6.461 170 HH12 ARG 20 2HH1 ARG 20 7.623 -14.905 5.355 171 HH21 ARG 20 1HH2 ARG 20 6.892 -18.148 4.273 172 HH22 ARG 20 2HH2 ARG 20 7.963 -16.797 4.110 173 H MET 21 H MET 21 2.916 -11.114 4.964 174 HA MET 21 HA MET 21 1.853 -12.562 2.631 175 HB2 MET 21 2HB MET 21 1.457 -10.184 1.748 176 HB3 MET 21 3HB MET 21 0.400 -10.765 3.029 177 HG2 MET 21 2HG MET 21 1.582 -9.498 4.672 178 HG3 MET 21 3HG MET 21 2.824 -9.052 3.504 179 HE1 MET 21 1HE MET 21 -0.899 -9.317 3.802 180 HE2 MET 21 2HE MET 21 -1.537 -7.710 3.454 181 HE3 MET 21 3HE MET 21 -1.065 -8.778 2.131
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