NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
628381 | 5xo5 | cing | 1-original | 3 | 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 1.785 0.868 -1.823 3 HA3 GLY 1 3HA GLY 1 3.127 0.061 -1.025 4 H SER 2 H SER 2 0.224 -0.390 -2.932 5 HA SER 2 HA SER 2 1.270 -3.000 -3.778 6 HB2 SER 2 2HB SER 2 -1.411 -2.396 -2.622 7 HB3 SER 2 3HB SER 2 -1.330 -3.565 -3.940 8 HG SER 2 HG SER 2 -0.704 -4.938 -2.493 9 H LYS 3 H LYS 3 -1.565 -0.962 -4.502 10 HA LYS 3 HA LYS 3 -0.883 -1.173 -7.353 11 HB2 LYS 3 2HB LYS 3 -3.517 -0.260 -6.205 12 HB3 LYS 3 3HB LYS 3 -3.180 -0.785 -7.849 13 HG2 LYS 3 2HG LYS 3 -3.125 -2.530 -5.395 14 HG3 LYS 3 3HG LYS 3 -4.407 -2.479 -6.608 15 HD2 LYS 3 2HD LYS 3 -2.755 -3.179 -8.317 16 HD3 LYS 3 3HD LYS 3 -1.543 -3.327 -7.042 17 HE2 LYS 3 2HE LYS 3 -2.257 -5.487 -7.107 18 HE3 LYS 3 3HE LYS 3 -3.427 -4.846 -5.955 19 HZ1 LYS 3 1HZ LYS 3 -4.952 -4.496 -7.855 20 HZ2 LYS 3 2HZ LYS 3 -4.583 -6.123 -7.582 21 HZ3 LYS 3 3HZ LYS 3 -3.847 -5.293 -8.858 22 H LYS 4 H LYS 4 -1.706 0.806 -8.645 23 HA LYS 4 HA LYS 4 -0.762 3.231 -7.263 24 HB2 LYS 4 2HB LYS 4 -0.248 4.034 -9.626 25 HB3 LYS 4 3HB LYS 4 0.781 2.760 -8.985 26 HG2 LYS 4 2HG LYS 4 -0.542 1.098 -10.228 27 HG3 LYS 4 3HG LYS 4 -1.508 2.408 -10.911 28 HD2 LYS 4 2HD LYS 4 0.010 2.217 -12.589 29 HD3 LYS 4 3HD LYS 4 0.928 3.306 -11.547 30 HE2 LYS 4 2HE LYS 4 1.165 0.314 -11.365 31 HE3 LYS 4 3HE LYS 4 2.156 1.274 -12.463 32 HZ1 LYS 4 1HZ LYS 4 2.107 1.355 -9.505 33 HZ2 LYS 4 2HZ LYS 4 2.798 2.595 -10.424 34 HZ3 LYS 4 3HZ LYS 4 3.417 1.024 -10.522 35 HA PRO 5 HA PRO 5 -5.223 3.961 -8.212 36 HB2 PRO 5 2HB PRO 5 -5.722 5.289 -5.897 37 HB3 PRO 5 3HB PRO 5 -5.793 3.528 -6.029 38 HG2 PRO 5 2HG PRO 5 -3.593 5.261 -4.973 39 HG3 PRO 5 3HG PRO 5 -4.234 3.744 -4.317 40 HD2 PRO 5 2HD PRO 5 -1.944 3.855 -5.756 41 HD3 PRO 5 3HD PRO 5 -3.027 2.449 -5.792 42 H VAL 6 H VAL 6 -6.380 6.247 -7.659 43 HA VAL 6 HA VAL 6 -4.573 8.485 -8.063 44 HB VAL 6 HB VAL 6 -6.677 7.784 -10.116 45 HG11 VAL 6 1HG1 VAL 6 -5.293 9.845 -11.179 46 HG12 VAL 6 2HG1 VAL 6 -6.805 10.028 -10.287 47 HG13 VAL 6 3HG1 VAL 6 -5.262 10.284 -9.472 48 HG21 VAL 6 1HG2 VAL 6 -4.743 6.444 -10.481 49 HG22 VAL 6 2HG2 VAL 6 -4.692 7.759 -11.656 50 HG23 VAL 6 3HG2 VAL 6 -3.667 7.817 -10.223 51 HA PRO 7 HA PRO 7 -7.808 10.074 -5.427 52 HB2 PRO 7 2HB PRO 7 -6.623 12.475 -4.980 53 HB3 PRO 7 3HB PRO 7 -6.122 10.990 -4.163 54 HG2 PRO 7 2HG PRO 7 -4.905 12.351 -6.536 55 HG3 PRO 7 3HG PRO 7 -4.104 11.621 -5.132 56 HD2 PRO 7 2HD PRO 7 -4.295 10.358 -7.520 57 HD3 PRO 7 3HD PRO 7 -4.298 9.484 -5.974 58 H ILE 8 H ILE 8 -8.754 12.491 -5.319 59 HA ILE 8 HA ILE 8 -9.542 13.141 -8.080 60 HB ILE 8 HB ILE 8 -11.588 14.119 -7.111 61 HG12 ILE 8 2HG1 ILE 8 -11.990 13.232 -4.650 62 HG13 ILE 8 3HG1 ILE 8 -10.233 13.310 -4.573 63 HG21 ILE 8 1HG2 ILE 8 -12.687 12.024 -6.574 64 HG22 ILE 8 2HG2 ILE 8 -11.547 11.793 -7.899 65 HG23 ILE 8 3HG2 ILE 8 -11.126 11.260 -6.271 66 HD11 ILE 8 1HD1 ILE 8 -11.406 15.720 -5.682 67 HD12 ILE 8 2HD1 ILE 8 -11.975 15.364 -4.051 68 HD13 ILE 8 3HD1 ILE 8 -10.248 15.520 -4.368 69 H ILE 9 H ILE 9 -9.604 15.272 -8.765 70 HA ILE 9 HA ILE 9 -8.484 17.281 -6.931 71 HB ILE 9 HB ILE 9 -7.012 18.145 -8.564 72 HG12 ILE 9 2HG1 ILE 9 -7.027 16.642 -10.831 73 HG13 ILE 9 3HG1 ILE 9 -8.739 16.637 -10.424 74 HG21 ILE 9 1HG2 ILE 9 -6.851 15.138 -8.718 75 HG22 ILE 9 2HG2 ILE 9 -5.538 16.266 -9.051 76 HG23 ILE 9 3HG2 ILE 9 -6.200 16.141 -7.422 77 HD11 ILE 9 1HD1 ILE 9 -6.975 18.974 -11.052 78 HD12 ILE 9 2HD1 ILE 9 -8.458 18.457 -11.855 79 HD13 ILE 9 3HD1 ILE 9 -8.530 19.165 -10.242 80 H ALA 10 H ALA 10 -9.041 19.465 -7.402 81 HA ALA 10 HA ALA 10 -11.579 19.689 -8.859 82 HB1 ALA 10 1HB ALA 10 -11.910 21.762 -7.582 83 HB2 ALA 10 2HB ALA 10 -11.664 20.366 -6.532 84 HB3 ALA 10 3HB ALA 10 -10.351 21.514 -6.796 85 H CYS 11 H CYS 11 -11.803 20.951 -10.615 86 HA CYS 11 HA CYS 11 -9.401 22.135 -11.743 87 HB2 CYS 11 2HB CYS 11 -11.726 20.905 -12.797 88 HB3 CYS 11 3HB CYS 11 -11.724 22.570 -13.368 89 H ASN 12 H ASN 12 -9.399 24.298 -12.640 90 HA ASN 12 HA ASN 12 -11.247 26.135 -11.269 91 HB2 ASN 12 2HB ASN 12 -8.965 26.087 -10.220 92 HB3 ASN 12 3HB ASN 12 -8.310 26.672 -11.747 93 HD21 ASN 12 1HD2 ASN 12 -7.662 28.665 -11.254 94 HD22 ASN 12 2HD2 ASN 12 -8.673 29.906 -10.604 95 H ARG 13 H ARG 13 -12.024 27.824 -12.447 96 HA ARG 13 HA ARG 13 -11.647 27.687 -15.312 97 HB2 ARG 13 2HB ARG 13 -13.462 29.297 -13.526 98 HB3 ARG 13 3HB ARG 13 -13.367 29.582 -15.258 99 HG2 ARG 13 2HG ARG 13 -15.084 28.126 -15.288 100 HG3 ARG 13 3HG ARG 13 -13.779 26.938 -15.277 101 HD2 ARG 13 2HD ARG 13 -15.183 26.181 -13.592 102 HD3 ARG 13 3HD ARG 13 -13.964 27.098 -12.708 103 HE ARG 13 HE ARG 13 -15.606 28.534 -12.041 104 HH11 ARG 13 1HH1 ARG 13 -16.719 26.791 -14.842 105 HH12 ARG 13 2HH1 ARG 13 -18.321 27.447 -14.775 106 HH21 ARG 13 1HH2 ARG 13 -17.712 29.404 -11.942 107 HH22 ARG 13 2HH2 ARG 13 -18.885 28.934 -13.125 108 H ARG 14 H ARG 14 -9.260 28.357 -14.452 109 HA ARG 14 HA ARG 14 -8.989 31.140 -15.288 110 HB2 ARG 14 2HB ARG 14 -7.645 30.053 -12.808 111 HB3 ARG 14 3HB ARG 14 -7.433 31.664 -13.481 112 HG2 ARG 14 2HG ARG 14 -10.043 30.578 -12.446 113 HG3 ARG 14 3HG ARG 14 -8.935 31.594 -11.520 114 HD2 ARG 14 2HD ARG 14 -9.462 32.786 -14.077 115 HD3 ARG 14 3HD ARG 14 -10.981 32.412 -13.264 116 HE ARG 14 HE ARG 14 -9.165 34.480 -12.588 117 HH11 ARG 14 1HH1 ARG 14 -11.332 32.148 -11.179 118 HH12 ARG 14 2HH1 ARG 14 -11.634 33.093 -9.759 119 HH21 ARG 14 1HH2 ARG 14 -9.554 35.733 -10.723 120 HH22 ARG 14 2HH2 ARG 14 -10.623 35.133 -9.501 121 H THR 15 H THR 15 -6.186 31.241 -14.660 122 HA THR 15 HA THR 15 -5.041 30.325 -16.982 123 HB THR 15 HB THR 15 -3.855 31.906 -15.619 124 HG1 THR 15 HG1 THR 15 -1.779 30.715 -15.451 125 HG21 THR 15 1HG2 THR 15 -4.466 30.071 -13.513 126 HG22 THR 15 2HG2 THR 15 -3.816 31.707 -13.401 127 HG23 THR 15 3HG2 THR 15 -2.723 30.333 -13.562 128 H GLY 16 H GLY 16 -5.308 28.266 -17.661 129 HA2 GLY 16 2HA GLY 16 -5.688 25.912 -17.043 130 HA3 GLY 16 3HA GLY 16 -4.027 26.142 -17.569 131 H LYS 17 H LYS 17 -6.107 26.029 -14.711 132 HA LYS 17 HA LYS 17 -3.893 24.809 -13.234 133 HB2 LYS 17 2HB LYS 17 -3.591 26.648 -12.000 134 HB3 LYS 17 3HB LYS 17 -4.975 27.441 -12.742 135 HG2 LYS 17 2HG LYS 17 -6.467 26.513 -11.137 136 HG3 LYS 17 3HG LYS 17 -5.207 25.458 -10.492 137 HD2 LYS 17 2HD LYS 17 -4.632 28.359 -10.489 138 HD3 LYS 17 3HD LYS 17 -5.882 27.804 -9.374 139 HE2 LYS 17 2HE LYS 17 -3.826 27.743 -8.190 140 HE3 LYS 17 3HE LYS 17 -4.247 26.074 -8.568 141 HZ1 LYS 17 1HZ LYS 17 -2.676 26.053 -10.339 142 HZ2 LYS 17 2HZ LYS 17 -1.883 26.640 -8.966 143 HZ3 LYS 17 3HZ LYS 17 -2.370 27.710 -10.182 144 H CYS 18 H CYS 18 -4.544 22.971 -12.346 145 HA CYS 18 HA CYS 18 -7.215 22.756 -11.208 146 HB2 CYS 18 2HB CYS 18 -6.198 20.896 -13.366 147 HB3 CYS 18 3HB CYS 18 -7.634 20.603 -12.391 148 H GLN 19 H GLN 19 -7.152 21.699 -9.333 149 HA GLN 19 HA GLN 19 -5.526 19.425 -8.845 150 HB2 GLN 19 2HB GLN 19 -3.784 20.232 -7.605 151 HB3 GLN 19 3HB GLN 19 -3.998 21.592 -8.699 152 HG2 GLN 19 2HG GLN 19 -5.649 22.389 -6.791 153 HG3 GLN 19 3HG GLN 19 -4.603 21.365 -5.809 154 HE21 GLN 19 1HE2 GLN 19 -2.164 21.726 -6.602 155 HE22 GLN 19 2HE2 GLN 19 -1.680 23.383 -6.557 156 H ARG 20 H ARG 20 -5.595 18.818 -6.455 157 HA ARG 20 HA ARG 20 -8.321 19.204 -5.544 158 HB2 ARG 20 2HB ARG 20 -7.996 17.337 -4.167 159 HB3 ARG 20 3HB ARG 20 -7.053 16.971 -5.606 160 HG2 ARG 20 2HG ARG 20 -5.164 18.165 -4.121 161 HG3 ARG 20 3HG ARG 20 -6.175 17.488 -2.843 162 HD2 ARG 20 2HD ARG 20 -5.448 15.422 -3.251 163 HD3 ARG 20 3HD ARG 20 -5.751 15.587 -4.979 164 HE ARG 20 HE ARG 20 -3.533 16.092 -5.295 165 HH11 ARG 20 1HH1 ARG 20 -4.288 16.222 -1.899 166 HH12 ARG 20 2HH1 ARG 20 -2.634 16.360 -1.403 167 HH21 ARG 20 1HH2 ARG 20 -1.351 16.274 -4.655 168 HH22 ARG 20 2HH2 ARG 20 -0.964 16.390 -2.972 169 H ALA 21 H ALA 21 -8.569 19.339 -3.050 170 HA ALA 21 HA ALA 21 -7.715 21.870 -2.223 171 HB1 ALA 21 1HB ALA 21 -9.259 19.679 -1.097 172 HB2 ALA 21 2HB ALA 21 -8.339 20.564 0.121 173 HB3 ALA 21 3HB ALA 21 -9.472 21.421 -0.925 Start of MODEL 2 1 H1 GLY 1 H GLY 1 0.226 0.933 -0.664 2 HA2 GLY 1 2HA GLY 1 1.923 0.977 -2.207 3 HA3 GLY 1 3HA GLY 1 2.913 0.211 -0.973 4 H SER 2 H SER 2 0.184 -0.740 -3.067 5 HA SER 2 HA SER 2 1.796 -3.007 -4.002 6 HB2 SER 2 2HB SER 2 -0.047 -3.463 -2.122 7 HB3 SER 2 3HB SER 2 -1.104 -3.500 -3.533 8 HG SER 2 HG SER 2 0.093 -5.520 -2.748 9 H LYS 3 H LYS 3 -1.379 -1.441 -4.438 10 HA LYS 3 HA LYS 3 -1.225 -1.949 -7.307 11 HB2 LYS 3 2HB LYS 3 -3.321 -2.026 -5.543 12 HB3 LYS 3 3HB LYS 3 -3.536 -0.447 -6.288 13 HG2 LYS 3 2HG LYS 3 -3.109 -1.947 -8.481 14 HG3 LYS 3 3HG LYS 3 -3.867 -3.140 -7.425 15 HD2 LYS 3 2HD LYS 3 -5.160 -0.493 -7.488 16 HD3 LYS 3 3HD LYS 3 -5.237 -1.414 -8.991 17 HE2 LYS 3 2HE LYS 3 -6.059 -3.361 -7.602 18 HE3 LYS 3 3HE LYS 3 -6.228 -2.222 -6.266 19 HZ1 LYS 3 1HZ LYS 3 -8.186 -1.636 -7.075 20 HZ2 LYS 3 2HZ LYS 3 -8.009 -2.702 -8.376 21 HZ3 LYS 3 3HZ LYS 3 -7.461 -1.107 -8.510 22 H LYS 4 H LYS 4 -2.126 -0.082 -8.703 23 HA LYS 4 HA LYS 4 -0.715 2.382 -7.918 24 HB2 LYS 4 2HB LYS 4 -1.164 1.101 -10.605 25 HB3 LYS 4 3HB LYS 4 -0.724 2.797 -10.457 26 HG2 LYS 4 2HG LYS 4 0.891 0.520 -9.333 27 HG3 LYS 4 3HG LYS 4 1.194 1.294 -10.890 28 HD2 LYS 4 2HD LYS 4 2.487 2.747 -9.802 29 HD3 LYS 4 3HD LYS 4 1.015 3.400 -9.080 30 HE2 LYS 4 2HE LYS 4 2.082 2.900 -7.153 31 HE3 LYS 4 3HE LYS 4 1.421 1.295 -7.462 32 HZ1 LYS 4 1HZ LYS 4 3.868 1.434 -6.911 33 HZ2 LYS 4 2HZ LYS 4 4.090 2.109 -8.446 34 HZ3 LYS 4 3HZ LYS 4 3.462 0.545 -8.292 35 HA PRO 5 HA PRO 5 -5.198 3.490 -8.024 36 HB2 PRO 5 2HB PRO 5 -5.060 5.151 -5.882 37 HB3 PRO 5 3HB PRO 5 -5.307 3.408 -5.731 38 HG2 PRO 5 2HG PRO 5 -2.790 4.999 -5.423 39 HG3 PRO 5 3HG PRO 5 -3.396 3.662 -4.429 40 HD2 PRO 5 2HD PRO 5 -1.478 3.325 -6.310 41 HD3 PRO 5 3HD PRO 5 -2.657 2.058 -5.911 42 H VAL 6 H VAL 6 -6.015 5.938 -7.608 43 HA VAL 6 HA VAL 6 -4.159 7.891 -8.694 44 HB VAL 6 HB VAL 6 -6.700 7.166 -10.159 45 HG11 VAL 6 1HG1 VAL 6 -4.791 9.460 -10.428 46 HG12 VAL 6 2HG1 VAL 6 -5.730 8.891 -11.809 47 HG13 VAL 6 3HG1 VAL 6 -6.553 9.481 -10.364 48 HG21 VAL 6 1HG2 VAL 6 -5.012 5.584 -10.703 49 HG22 VAL 6 2HG2 VAL 6 -5.089 6.729 -12.042 50 HG23 VAL 6 3HG2 VAL 6 -3.788 6.844 -10.857 51 HA PRO 7 HA PRO 7 -6.620 10.157 -5.737 52 HB2 PRO 7 2HB PRO 7 -5.176 12.450 -5.899 53 HB3 PRO 7 3HB PRO 7 -4.635 11.037 -4.985 54 HG2 PRO 7 2HG PRO 7 -3.843 11.935 -7.729 55 HG3 PRO 7 3HG PRO 7 -2.825 11.310 -6.419 56 HD2 PRO 7 2HD PRO 7 -3.621 9.776 -8.504 57 HD3 PRO 7 3HD PRO 7 -3.366 9.116 -6.876 58 H ILE 8 H ILE 8 -7.748 12.290 -5.734 59 HA ILE 8 HA ILE 8 -8.682 12.940 -8.450 60 HB ILE 8 HB ILE 8 -10.749 13.761 -7.384 61 HG12 ILE 8 2HG1 ILE 8 -10.999 12.802 -4.930 62 HG13 ILE 8 3HG1 ILE 8 -9.249 12.993 -4.916 63 HG21 ILE 8 1HG2 ILE 8 -11.614 11.729 -7.655 64 HG22 ILE 8 2HG2 ILE 8 -9.963 11.134 -7.810 65 HG23 ILE 8 3HG2 ILE 8 -10.766 11.107 -6.240 66 HD11 ILE 8 1HD1 ILE 8 -9.400 15.194 -4.662 67 HD12 ILE 8 2HD1 ILE 8 -10.621 15.341 -5.927 68 HD13 ILE 8 3HD1 ILE 8 -11.100 14.917 -4.284 69 H ILE 9 H ILE 9 -8.910 15.074 -9.084 70 HA ILE 9 HA ILE 9 -7.854 17.117 -7.249 71 HB ILE 9 HB ILE 9 -6.505 18.109 -8.916 72 HG12 ILE 9 2HG1 ILE 9 -6.509 16.653 -11.214 73 HG13 ILE 9 3HG1 ILE 9 -8.201 16.526 -10.744 74 HG21 ILE 9 1HG2 ILE 9 -5.520 16.143 -7.850 75 HG22 ILE 9 2HG2 ILE 9 -6.157 15.122 -9.138 76 HG23 ILE 9 3HG2 ILE 9 -4.933 16.338 -9.501 77 HD11 ILE 9 1HD1 ILE 9 -6.619 18.986 -11.385 78 HD12 ILE 9 2HD1 ILE 9 -8.094 18.389 -12.144 79 HD13 ILE 9 3HD1 ILE 9 -8.150 19.059 -10.514 80 H ALA 10 H ALA 10 -8.571 19.268 -7.651 81 HA ALA 10 HA ALA 10 -11.172 19.352 -9.008 82 HB1 ALA 10 1HB ALA 10 -11.212 19.975 -6.666 83 HB2 ALA 10 2HB ALA 10 -9.988 21.212 -6.951 84 HB3 ALA 10 3HB ALA 10 -11.589 21.373 -7.673 85 H CYS 11 H CYS 11 -11.546 20.631 -10.727 86 HA CYS 11 HA CYS 11 -9.271 21.993 -11.916 87 HB2 CYS 11 2HB CYS 11 -11.549 20.633 -12.910 88 HB3 CYS 11 3HB CYS 11 -11.678 22.306 -13.443 89 H ASN 12 H ASN 12 -9.445 24.169 -12.764 90 HA ASN 12 HA ASN 12 -11.355 25.852 -11.285 91 HB2 ASN 12 2HB ASN 12 -9.036 25.935 -10.323 92 HB3 ASN 12 3HB ASN 12 -8.480 26.592 -11.860 93 HD21 ASN 12 1HD2 ASN 12 -7.945 28.614 -11.348 94 HD22 ASN 12 2HD2 ASN 12 -9.009 29.772 -10.633 95 H ARG 13 H ARG 13 -12.286 27.509 -12.395 96 HA ARG 13 HA ARG 13 -12.011 27.454 -15.274 97 HB2 ARG 13 2HB ARG 13 -13.885 29.104 -15.212 98 HB3 ARG 13 3HB ARG 13 -14.244 27.585 -14.403 99 HG2 ARG 13 2HG ARG 13 -14.231 28.537 -12.310 100 HG3 ARG 13 3HG ARG 13 -13.200 29.879 -12.811 101 HD2 ARG 13 2HD ARG 13 -15.005 31.136 -13.105 102 HD3 ARG 13 3HD ARG 13 -15.566 30.019 -14.348 103 HE ARG 13 HE ARG 13 -16.530 30.236 -11.648 104 HH11 ARG 13 1HH1 ARG 13 -16.217 28.157 -14.423 105 HH12 ARG 13 2HH1 ARG 13 -17.556 27.150 -13.983 106 HH21 ARG 13 1HH2 ARG 13 -18.296 28.918 -11.058 107 HH22 ARG 13 2HH2 ARG 13 -18.739 27.585 -12.069 108 H ARG 14 H ARG 14 -9.642 28.263 -14.490 109 HA ARG 14 HA ARG 14 -9.585 31.074 -15.273 110 HB2 ARG 14 2HB ARG 14 -8.078 30.030 -12.869 111 HB3 ARG 14 3HB ARG 14 -7.999 31.664 -13.514 112 HG2 ARG 14 2HG ARG 14 -10.489 30.387 -12.406 113 HG3 ARG 14 3HG ARG 14 -9.416 31.456 -11.501 114 HD2 ARG 14 2HD ARG 14 -10.121 32.658 -14.011 115 HD3 ARG 14 3HD ARG 14 -11.578 32.172 -13.145 116 HE ARG 14 HE ARG 14 -9.861 34.336 -12.497 117 HH11 ARG 14 1HH1 ARG 14 -11.852 31.864 -11.068 118 HH12 ARG 14 2HH1 ARG 14 -12.163 32.767 -9.623 119 HH21 ARG 14 1HH2 ARG 14 -10.263 35.535 -10.598 120 HH22 ARG 14 2HH2 ARG 14 -11.260 34.855 -9.357 121 H THR 15 H THR 15 -6.773 31.348 -14.748 122 HA THR 15 HA THR 15 -5.661 30.555 -17.130 123 HB THR 15 HB THR 15 -4.529 32.184 -15.777 124 HG1 THR 15 HG1 THR 15 -2.374 31.105 -15.696 125 HG21 THR 15 1HG2 THR 15 -4.938 30.272 -13.691 126 HG22 THR 15 2HG2 THR 15 -4.389 31.944 -13.568 127 HG23 THR 15 3HG2 THR 15 -3.218 30.646 -13.800 128 H GLY 16 H GLY 16 -5.819 28.497 -17.844 129 HA2 GLY 16 2HA GLY 16 -6.020 26.111 -17.264 130 HA3 GLY 16 3HA GLY 16 -4.399 26.461 -17.846 131 H LYS 17 H LYS 17 -6.356 26.154 -14.916 132 HA LYS 17 HA LYS 17 -4.011 25.054 -13.551 133 HB2 LYS 17 2HB LYS 17 -3.783 26.885 -12.288 134 HB3 LYS 17 3HB LYS 17 -5.243 27.599 -12.961 135 HG2 LYS 17 2HG LYS 17 -6.608 26.543 -11.322 136 HG3 LYS 17 3HG LYS 17 -5.258 25.562 -10.748 137 HD2 LYS 17 2HD LYS 17 -4.901 28.503 -10.702 138 HD3 LYS 17 3HD LYS 17 -6.034 27.815 -9.536 139 HE2 LYS 17 2HE LYS 17 -4.041 27.765 -8.367 140 HE3 LYS 17 3HE LYS 17 -4.111 26.140 -9.047 141 HZ1 LYS 17 1HZ LYS 17 -2.709 28.322 -10.458 142 HZ2 LYS 17 2HZ LYS 17 -2.510 26.651 -10.630 143 HZ3 LYS 17 3HZ LYS 17 -1.936 27.433 -9.244 144 H CYS 18 H CYS 18 -4.506 23.160 -12.679 145 HA CYS 18 HA CYS 18 -7.112 22.746 -11.448 146 HB2 CYS 18 2HB CYS 18 -6.059 21.000 -13.683 147 HB3 CYS 18 3HB CYS 18 -7.434 20.595 -12.661 148 H GLN 19 H GLN 19 -6.907 21.660 -9.601 149 HA GLN 19 HA GLN 19 -5.118 19.490 -9.224 150 HB2 GLN 19 2HB GLN 19 -3.386 20.386 -8.033 151 HB3 GLN 19 3HB GLN 19 -3.732 21.751 -9.086 152 HG2 GLN 19 2HG GLN 19 -5.356 22.397 -7.098 153 HG3 GLN 19 3HG GLN 19 -4.210 21.421 -6.181 154 HE21 GLN 19 1HE2 GLN 19 -1.844 21.959 -6.812 155 HE22 GLN 19 2HE2 GLN 19 -1.462 23.643 -6.838 156 H ARG 20 H ARG 20 -5.055 18.832 -6.846 157 HA ARG 20 HA ARG 20 -7.764 19.019 -5.827 158 HB2 ARG 20 2HB ARG 20 -7.265 17.150 -4.505 159 HB3 ARG 20 3HB ARG 20 -6.356 16.877 -5.985 160 HG2 ARG 20 2HG ARG 20 -4.626 16.482 -4.641 161 HG3 ARG 20 3HG ARG 20 -4.554 18.233 -4.439 162 HD2 ARG 20 2HD ARG 20 -4.839 17.878 -2.258 163 HD3 ARG 20 3HD ARG 20 -6.500 17.428 -2.641 164 HE ARG 20 HE ARG 20 -5.121 15.128 -3.024 165 HH11 ARG 20 1HH1 ARG 20 -5.343 17.390 -0.386 166 HH12 ARG 20 2HH1 ARG 20 -5.062 16.194 0.835 167 HH21 ARG 20 1HH2 ARG 20 -4.750 13.544 -1.425 168 HH22 ARG 20 2HH2 ARG 20 -4.724 14.007 0.243 169 H ALA 21 H ALA 21 -7.927 19.091 -3.325 170 HA ALA 21 HA ALA 21 -7.137 21.659 -2.486 171 HB1 ALA 21 1HB ALA 21 -8.643 19.422 -1.373 172 HB2 ALA 21 2HB ALA 21 -7.765 20.352 -0.158 173 HB3 ALA 21 3HB ALA 21 -8.913 21.159 -1.226 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.721 0.423 -8.232 2 HA2 GLY 1 2HA GLY 1 5.364 -1.999 -7.358 3 HA3 GLY 1 3HA GLY 1 4.436 -0.912 -6.336 4 H SER 2 H SER 2 2.547 -1.627 -5.607 5 HA SER 2 HA SER 2 1.469 -4.092 -6.755 6 HB2 SER 2 2HB SER 2 1.628 -4.418 -4.467 7 HB3 SER 2 3HB SER 2 1.243 -2.738 -4.095 8 HG SER 2 HG SER 2 -0.481 -4.858 -4.758 9 H LYS 3 H LYS 3 0.058 -1.128 -5.355 10 HA LYS 3 HA LYS 3 -1.841 -1.063 -7.597 11 HB2 LYS 3 2HB LYS 3 -2.735 -2.023 -5.341 12 HB3 LYS 3 3HB LYS 3 -2.729 -0.342 -4.824 13 HG2 LYS 3 2HG LYS 3 -4.363 0.268 -6.361 14 HG3 LYS 3 3HG LYS 3 -4.095 -1.165 -7.357 15 HD2 LYS 3 2HD LYS 3 -5.042 -1.476 -4.540 16 HD3 LYS 3 3HD LYS 3 -6.189 -1.020 -5.802 17 HE2 LYS 3 2HE LYS 3 -4.854 -3.085 -6.980 18 HE3 LYS 3 3HE LYS 3 -4.860 -3.583 -5.289 19 HZ1 LYS 3 1HZ LYS 3 -7.215 -2.928 -6.969 20 HZ2 LYS 3 2HZ LYS 3 -7.297 -3.178 -5.299 21 HZ3 LYS 3 3HZ LYS 3 -6.809 -4.436 -6.319 22 H LYS 4 H LYS 4 -2.120 0.894 -8.485 23 HA LYS 4 HA LYS 4 -1.158 3.246 -6.996 24 HB2 LYS 4 2HB LYS 4 -0.551 2.387 -9.804 25 HB3 LYS 4 3HB LYS 4 -0.557 4.097 -9.395 26 HG2 LYS 4 2HG LYS 4 0.963 2.686 -7.438 27 HG3 LYS 4 3HG LYS 4 1.520 2.227 -9.050 28 HD2 LYS 4 2HD LYS 4 1.591 4.705 -9.578 29 HD3 LYS 4 3HD LYS 4 1.362 4.984 -7.851 30 HE2 LYS 4 2HE LYS 4 3.388 3.635 -7.408 31 HE3 LYS 4 3HE LYS 4 3.630 3.475 -9.147 32 HZ1 LYS 4 1HZ LYS 4 3.378 6.143 -8.822 33 HZ2 LYS 4 2HZ LYS 4 4.849 5.314 -8.930 34 HZ3 LYS 4 3HZ LYS 4 4.204 5.698 -7.414 35 HA PRO 5 HA PRO 5 -5.527 3.938 -8.326 36 HB2 PRO 5 2HB PRO 5 -6.262 5.168 -6.020 37 HB3 PRO 5 3HB PRO 5 -6.286 3.412 -6.221 38 HG2 PRO 5 2HG PRO 5 -4.226 5.140 -4.905 39 HG3 PRO 5 3HG PRO 5 -4.895 3.589 -4.366 40 HD2 PRO 5 2HD PRO 5 -2.485 3.792 -5.583 41 HD3 PRO 5 3HD PRO 5 -3.532 2.370 -5.769 42 H VAL 6 H VAL 6 -6.770 6.191 -7.755 43 HA VAL 6 HA VAL 6 -4.970 8.463 -7.944 44 HB VAL 6 HB VAL 6 -6.917 7.824 -10.164 45 HG11 VAL 6 1HG1 VAL 6 -5.607 9.921 -11.112 46 HG12 VAL 6 2HG1 VAL 6 -7.057 10.101 -10.123 47 HG13 VAL 6 3HG1 VAL 6 -5.462 10.297 -9.395 48 HG21 VAL 6 1HG2 VAL 6 -3.919 7.802 -9.993 49 HG22 VAL 6 2HG2 VAL 6 -5.001 6.521 -10.540 50 HG23 VAL 6 3HG2 VAL 6 -4.765 7.959 -11.532 51 HA PRO 7 HA PRO 7 -8.402 9.911 -5.480 52 HB2 PRO 7 2HB PRO 7 -7.282 12.304 -4.856 53 HB3 PRO 7 3HB PRO 7 -6.820 10.792 -4.066 54 HG2 PRO 7 2HG PRO 7 -5.458 12.260 -6.291 55 HG3 PRO 7 3HG PRO 7 -4.748 11.483 -4.865 56 HD2 PRO 7 2HD PRO 7 -4.756 10.315 -7.308 57 HD3 PRO 7 3HD PRO 7 -4.854 9.380 -5.802 58 H ILE 8 H ILE 8 -9.304 12.382 -5.337 59 HA ILE 8 HA ILE 8 -9.996 13.066 -8.114 60 HB ILE 8 HB ILE 8 -12.030 14.111 -7.190 61 HG12 ILE 8 2HG1 ILE 8 -12.512 13.248 -4.736 62 HG13 ILE 8 3HG1 ILE 8 -10.755 13.265 -4.621 63 HG21 ILE 8 1HG2 ILE 8 -11.596 11.225 -6.434 64 HG22 ILE 8 2HG2 ILE 8 -13.170 12.011 -6.550 65 HG23 ILE 8 3HG2 ILE 8 -12.163 11.841 -7.987 66 HD11 ILE 8 1HD1 ILE 8 -12.438 15.380 -4.144 67 HD12 ILE 8 2HD1 ILE 8 -10.699 15.476 -4.424 68 HD13 ILE 8 3HD1 ILE 8 -11.823 15.710 -5.763 69 H ILE 9 H ILE 9 -9.981 15.199 -8.800 70 HA ILE 9 HA ILE 9 -8.829 17.171 -6.947 71 HB ILE 9 HB ILE 9 -7.301 17.987 -8.554 72 HG12 ILE 9 2HG1 ILE 9 -7.325 16.485 -10.822 73 HG13 ILE 9 3HG1 ILE 9 -9.044 16.535 -10.444 74 HG21 ILE 9 1HG2 ILE 9 -7.237 14.976 -8.705 75 HG22 ILE 9 2HG2 ILE 9 -5.882 16.059 -9.018 76 HG23 ILE 9 3HG2 ILE 9 -6.574 15.958 -7.399 77 HD11 ILE 9 1HD1 ILE 9 -7.194 18.814 -11.040 78 HD12 ILE 9 2HD1 ILE 9 -8.679 18.345 -11.869 79 HD13 ILE 9 3HD1 ILE 9 -8.756 19.056 -10.257 80 H ALA 10 H ALA 10 -9.308 19.372 -7.427 81 HA ALA 10 HA ALA 10 -11.810 19.677 -8.929 82 HB1 ALA 10 1HB ALA 10 -12.097 21.761 -7.657 83 HB2 ALA 10 2HB ALA 10 -11.915 20.357 -6.604 84 HB3 ALA 10 3HB ALA 10 -10.561 21.462 -6.844 85 H CYS 11 H CYS 11 -11.963 20.945 -10.689 86 HA CYS 11 HA CYS 11 -9.505 22.051 -11.774 87 HB2 CYS 11 2HB CYS 11 -11.849 20.895 -12.869 88 HB3 CYS 11 3HB CYS 11 -11.783 22.559 -13.439 89 H ASN 12 H ASN 12 -9.417 24.212 -12.671 90 HA ASN 12 HA ASN 12 -11.230 26.108 -11.333 91 HB2 ASN 12 2HB ASN 12 -8.970 25.987 -10.243 92 HB3 ASN 12 3HB ASN 12 -8.269 26.550 -11.758 93 HD21 ASN 12 1HD2 ASN 12 -7.566 28.522 -11.254 94 HD22 ASN 12 2HD2 ASN 12 -8.548 29.795 -10.622 95 H ARG 13 H ARG 13 -11.931 27.821 -12.524 96 HA ARG 13 HA ARG 13 -11.507 27.670 -15.382 97 HB2 ARG 13 2HB ARG 13 -13.320 29.290 -13.611 98 HB3 ARG 13 3HB ARG 13 -13.153 29.656 -15.323 99 HG2 ARG 13 2HG ARG 13 -14.840 28.225 -15.596 100 HG3 ARG 13 3HG ARG 13 -13.619 26.970 -15.368 101 HD2 ARG 13 2HD ARG 13 -14.765 28.101 -12.901 102 HD3 ARG 13 3HD ARG 13 -15.881 27.174 -13.903 103 HE ARG 13 HE ARG 13 -13.370 25.855 -13.417 104 HH11 ARG 13 1HH1 ARG 13 -16.598 26.414 -12.241 105 HH12 ARG 13 2HH1 ARG 13 -16.646 24.963 -11.297 106 HH21 ARG 13 1HH2 ARG 13 -13.420 23.941 -12.178 107 HH22 ARG 13 2HH2 ARG 13 -14.837 23.557 -11.261 108 H ARG 14 H ARG 14 -9.116 28.263 -14.480 109 HA ARG 14 HA ARG 14 -8.741 31.037 -15.310 110 HB2 ARG 14 2HB ARG 14 -7.477 29.908 -12.806 111 HB3 ARG 14 3HB ARG 14 -7.202 31.511 -13.475 112 HG2 ARG 14 2HG ARG 14 -9.863 30.509 -12.487 113 HG3 ARG 14 3HG ARG 14 -8.740 31.490 -11.542 114 HD2 ARG 14 2HD ARG 14 -9.203 32.681 -14.120 115 HD3 ARG 14 3HD ARG 14 -10.732 32.384 -13.295 116 HE ARG 14 HE ARG 14 -8.900 33.585 -11.519 117 HH11 ARG 14 1HH1 ARG 14 -10.875 34.314 -14.292 118 HH12 ARG 14 2HH1 ARG 14 -11.060 35.988 -13.884 119 HH21 ARG 14 1HH2 ARG 14 -9.135 35.787 -10.971 120 HH22 ARG 14 2HH2 ARG 14 -10.069 36.825 -11.995 121 H THR 15 H THR 15 -5.948 31.048 -14.632 122 HA THR 15 HA THR 15 -4.791 30.095 -16.932 123 HB THR 15 HB THR 15 -3.580 31.638 -15.548 124 HG1 THR 15 HG1 THR 15 -1.546 30.390 -15.351 125 HG21 THR 15 1HG2 THR 15 -4.287 29.825 -13.454 126 HG22 THR 15 2HG2 THR 15 -3.586 31.438 -13.330 127 HG23 THR 15 3HG2 THR 15 -2.536 30.028 -13.472 128 H GLY 16 H GLY 16 -5.112 28.046 -17.617 129 HA2 GLY 16 2HA GLY 16 -5.578 25.705 -17.006 130 HA3 GLY 16 3HA GLY 16 -3.901 25.882 -17.502 131 H LYS 17 H LYS 17 -6.035 25.836 -14.681 132 HA LYS 17 HA LYS 17 -3.888 24.546 -13.166 133 HB2 LYS 17 2HB LYS 17 -3.550 26.376 -11.926 134 HB3 LYS 17 3HB LYS 17 -4.894 27.211 -12.693 135 HG2 LYS 17 2HG LYS 17 -6.443 26.332 -11.114 136 HG3 LYS 17 3HG LYS 17 -5.228 25.238 -10.447 137 HD2 LYS 17 2HD LYS 17 -4.422 28.047 -10.414 138 HD3 LYS 17 3HD LYS 17 -5.864 27.714 -9.453 139 HE2 LYS 17 2HE LYS 17 -4.192 27.336 -7.916 140 HE3 LYS 17 3HE LYS 17 -4.456 25.713 -8.552 141 HZ1 LYS 17 1HZ LYS 17 -2.389 27.518 -9.658 142 HZ2 LYS 17 2HZ LYS 17 -2.531 25.845 -9.857 143 HZ3 LYS 17 3HZ LYS 17 -2.074 26.482 -8.358 144 H CYS 18 H CYS 18 -4.613 22.730 -12.290 145 HA CYS 18 HA CYS 18 -7.310 22.601 -11.201 146 HB2 CYS 18 2HB CYS 18 -6.314 20.709 -13.341 147 HB3 CYS 18 3HB CYS 18 -7.775 20.462 -12.391 148 H GLN 19 H GLN 19 -7.314 21.543 -9.325 149 HA GLN 19 HA GLN 19 -5.771 19.218 -8.809 150 HB2 GLN 19 2HB GLN 19 -4.026 19.969 -7.538 151 HB3 GLN 19 3HB GLN 19 -4.177 21.335 -8.635 152 HG2 GLN 19 2HG GLN 19 -5.834 22.186 -6.756 153 HG3 GLN 19 3HG GLN 19 -4.841 21.127 -5.756 154 HE21 GLN 19 1HE2 GLN 19 -2.379 21.408 -6.472 155 HE22 GLN 19 2HE2 GLN 19 -1.841 23.049 -6.430 156 H ARG 20 H ARG 20 -5.902 18.615 -6.420 157 HA ARG 20 HA ARG 20 -8.629 19.089 -5.558 158 HB2 ARG 20 2HB ARG 20 -8.390 17.212 -4.176 159 HB3 ARG 20 3HB ARG 20 -7.432 16.817 -5.597 160 HG2 ARG 20 2HG ARG 20 -5.559 17.986 -4.033 161 HG3 ARG 20 3HG ARG 20 -6.602 17.246 -2.818 162 HD2 ARG 20 2HD ARG 20 -6.425 15.198 -4.520 163 HD3 ARG 20 3HD ARG 20 -4.891 15.988 -4.883 164 HE ARG 20 HE ARG 20 -5.561 14.534 -2.511 165 HH11 ARG 20 1HH1 ARG 20 -3.591 17.101 -3.797 166 HH12 ARG 20 2HH1 ARG 20 -2.371 16.952 -2.576 167 HH21 ARG 20 1HH2 ARG 20 -3.962 14.329 -0.898 168 HH22 ARG 20 2HH2 ARG 20 -2.583 15.375 -0.928 169 H ALA 21 H ALA 21 -8.919 19.235 -3.070 170 HA ALA 21 HA ALA 21 -8.847 20.621 -1.261 171 HB1 ALA 21 1HB ALA 21 -6.095 19.699 -1.714 172 HB2 ALA 21 2HB ALA 21 -6.249 21.124 -0.686 173 HB3 ALA 21 3HB ALA 21 -7.093 19.635 -0.261 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -10.779 0.610 -3.726 2 HA2 GLY 1 2HA GLY 1 -9.136 2.041 -2.991 3 HA3 GLY 1 3HA GLY 1 -9.930 1.879 -1.432 4 H SER 2 H SER 2 -7.377 0.638 -3.497 5 HA SER 2 HA SER 2 -5.986 -0.303 -1.090 6 HB2 SER 2 2HB SER 2 -6.332 -1.863 -3.659 7 HB3 SER 2 3HB SER 2 -5.170 -2.286 -2.401 8 HG SER 2 HG SER 2 -7.201 -2.164 -1.006 9 H LYS 3 H LYS 3 -5.350 -0.295 -4.597 10 HA LYS 3 HA LYS 3 -2.748 0.931 -4.071 11 HB2 LYS 3 2HB LYS 3 -3.829 -0.200 -6.658 12 HB3 LYS 3 3HB LYS 3 -2.166 0.276 -6.336 13 HG2 LYS 3 2HG LYS 3 -2.155 -1.489 -4.522 14 HG3 LYS 3 3HG LYS 3 -3.681 -2.056 -5.203 15 HD2 LYS 3 2HD LYS 3 -2.577 -2.380 -7.373 16 HD3 LYS 3 3HD LYS 3 -1.051 -1.839 -6.669 17 HE2 LYS 3 2HE LYS 3 -2.619 -4.184 -5.618 18 HE3 LYS 3 3HE LYS 3 -1.360 -4.337 -6.843 19 HZ1 LYS 3 1HZ LYS 3 -0.041 -2.965 -5.016 20 HZ2 LYS 3 2HZ LYS 3 -0.098 -4.655 -5.015 21 HZ3 LYS 3 3HZ LYS 3 -1.121 -3.775 -3.995 22 H LYS 4 H LYS 4 -2.021 2.469 -5.921 23 HA LYS 4 HA LYS 4 -4.184 4.214 -6.819 24 HB2 LYS 4 2HB LYS 4 -2.839 6.212 -6.009 25 HB3 LYS 4 3HB LYS 4 -3.668 5.278 -4.771 26 HG2 LYS 4 2HG LYS 4 -1.533 4.098 -4.312 27 HG3 LYS 4 3HG LYS 4 -0.738 5.184 -5.454 28 HD2 LYS 4 2HD LYS 4 -0.392 6.046 -3.248 29 HD3 LYS 4 3HD LYS 4 -1.541 7.103 -4.071 30 HE2 LYS 4 2HE LYS 4 -3.094 5.137 -2.832 31 HE3 LYS 4 3HE LYS 4 -1.861 5.569 -1.649 32 HZ1 LYS 4 1HZ LYS 4 -2.946 7.433 -1.224 33 HZ2 LYS 4 2HZ LYS 4 -4.163 6.986 -2.309 34 HZ3 LYS 4 3HZ LYS 4 -2.853 7.913 -2.843 35 HA PRO 5 HA PRO 5 -0.927 3.557 -10.028 36 HB2 PRO 5 2HB PRO 5 -2.693 3.251 -12.067 37 HB3 PRO 5 3HB PRO 5 -2.191 1.916 -11.022 38 HG2 PRO 5 2HG PRO 5 -4.678 3.580 -10.909 39 HG3 PRO 5 3HG PRO 5 -4.495 1.826 -10.718 40 HD2 PRO 5 2HD PRO 5 -4.772 3.501 -8.608 41 HD3 PRO 5 3HD PRO 5 -3.811 2.010 -8.524 42 H VAL 6 H VAL 6 -3.693 5.665 -9.742 43 HA VAL 6 HA VAL 6 -2.204 7.803 -11.026 44 HB VAL 6 HB VAL 6 -4.932 6.976 -12.029 45 HG11 VAL 6 1HG1 VAL 6 -3.888 8.928 -13.703 46 HG12 VAL 6 2HG1 VAL 6 -5.197 9.129 -12.537 47 HG13 VAL 6 3HG1 VAL 6 -3.538 9.513 -12.077 48 HG21 VAL 6 1HG2 VAL 6 -2.178 6.839 -13.220 49 HG22 VAL 6 2HG2 VAL 6 -3.364 5.547 -13.038 50 HG23 VAL 6 3HG2 VAL 6 -3.631 6.829 -14.220 51 HA PRO 7 HA PRO 7 -4.180 9.722 -7.512 52 HB2 PRO 7 2HB PRO 7 -2.937 12.119 -7.791 53 HB3 PRO 7 3HB PRO 7 -2.145 10.702 -7.092 54 HG2 PRO 7 2HG PRO 7 -1.954 11.801 -9.870 55 HG3 PRO 7 3HG PRO 7 -0.665 11.181 -8.821 56 HD2 PRO 7 2HD PRO 7 -1.754 9.709 -10.815 57 HD3 PRO 7 3HD PRO 7 -1.150 8.982 -9.312 58 H ILE 8 H ILE 8 -5.511 11.647 -7.144 59 HA ILE 8 HA ILE 8 -6.906 12.467 -9.604 60 HB ILE 8 HB ILE 8 -8.855 12.939 -8.168 61 HG12 ILE 8 2HG1 ILE 8 -8.635 11.707 -5.835 62 HG13 ILE 8 3HG1 ILE 8 -6.929 12.089 -6.045 63 HG21 ILE 8 1HG2 ILE 8 -8.006 10.533 -9.108 64 HG22 ILE 8 2HG2 ILE 8 -8.297 10.164 -7.410 65 HG23 ILE 8 3HG2 ILE 8 -9.593 10.833 -8.401 66 HD11 ILE 8 1HD1 ILE 8 -8.837 13.721 -4.935 67 HD12 ILE 8 2HD1 ILE 8 -7.248 14.222 -5.513 68 HD13 ILE 8 3HD1 ILE 8 -8.654 14.363 -6.567 69 H ILE 9 H ILE 9 -7.429 14.617 -9.941 70 HA ILE 9 HA ILE 9 -6.303 16.563 -8.043 71 HB ILE 9 HB ILE 9 -5.324 17.866 -9.754 72 HG12 ILE 9 2HG1 ILE 9 -5.542 16.665 -12.185 73 HG13 ILE 9 3HG1 ILE 9 -7.122 16.303 -11.499 74 HG21 ILE 9 1HG2 ILE 9 -3.697 16.355 -10.758 75 HG22 ILE 9 2HG2 ILE 9 -4.009 15.918 -9.079 76 HG23 ILE 9 3HG2 ILE 9 -4.732 14.977 -10.384 77 HD11 ILE 9 1HD1 ILE 9 -5.896 18.977 -12.059 78 HD12 ILE 9 2HD1 ILE 9 -7.407 18.301 -12.668 79 HD13 ILE 9 3HD1 ILE 9 -7.277 18.788 -10.978 80 H ALA 10 H ALA 10 -7.272 18.651 -8.081 81 HA ALA 10 HA ALA 10 -10.046 18.586 -9.037 82 HB1 ALA 10 1HB ALA 10 -8.741 20.340 -6.960 83 HB2 ALA 10 2HB ALA 10 -10.442 20.401 -7.425 84 HB3 ALA 10 3HB ALA 10 -9.789 18.955 -6.655 85 H CYS 11 H CYS 11 -10.798 19.987 -10.520 86 HA CYS 11 HA CYS 11 -8.870 21.710 -11.848 87 HB2 CYS 11 2HB CYS 11 -11.135 20.215 -12.665 88 HB3 CYS 11 3HB CYS 11 -11.502 21.910 -12.971 89 H ASN 12 H ASN 12 -9.376 23.929 -12.398 90 HA ASN 12 HA ASN 12 -11.188 25.227 -10.473 91 HB2 ASN 12 2HB ASN 12 -8.766 25.466 -9.848 92 HB3 ASN 12 3HB ASN 12 -8.518 26.337 -11.358 93 HD21 ASN 12 1HD2 ASN 12 -8.104 28.342 -10.689 94 HD22 ASN 12 2HD2 ASN 12 -9.151 29.293 -9.697 95 H ARG 13 H ARG 13 -12.430 26.877 -11.235 96 HA ARG 13 HA ARG 13 -12.596 27.151 -14.110 97 HB2 ARG 13 2HB ARG 13 -14.589 28.557 -13.594 98 HB3 ARG 13 3HB ARG 13 -14.668 26.939 -12.909 99 HG2 ARG 13 2HG ARG 13 -14.107 27.774 -10.729 100 HG3 ARG 13 3HG ARG 13 -13.833 29.392 -11.379 101 HD2 ARG 13 2HD ARG 13 -16.010 29.234 -10.285 102 HD3 ARG 13 3HD ARG 13 -16.182 29.545 -12.012 103 HE ARG 13 HE ARG 13 -16.358 26.854 -11.859 104 HH11 ARG 13 1HH1 ARG 13 -17.974 29.446 -10.189 105 HH12 ARG 13 2HH1 ARG 13 -19.441 28.555 -9.954 106 HH21 ARG 13 1HH2 ARG 13 -18.284 25.670 -11.556 107 HH22 ARG 13 2HH2 ARG 13 -19.616 26.407 -10.731 108 H ARG 14 H ARG 14 -10.222 28.133 -13.579 109 HA ARG 14 HA ARG 14 -10.553 30.999 -14.023 110 HB2 ARG 14 2HB ARG 14 -8.603 29.887 -11.997 111 HB3 ARG 14 3HB ARG 14 -8.781 31.578 -12.447 112 HG2 ARG 14 2HG ARG 14 -10.942 29.922 -11.163 113 HG3 ARG 14 3HG ARG 14 -9.847 30.997 -10.292 114 HD2 ARG 14 2HD ARG 14 -10.749 32.912 -11.287 115 HD3 ARG 14 3HD ARG 14 -11.511 31.987 -12.581 116 HE ARG 14 HE ARG 14 -12.758 31.066 -10.375 117 HH11 ARG 14 1HH1 ARG 14 -12.140 34.272 -11.583 118 HH12 ARG 14 2HH1 ARG 14 -13.570 34.953 -10.883 119 HH21 ARG 14 1HH2 ARG 14 -14.645 31.951 -9.448 120 HH22 ARG 14 2HH2 ARG 14 -14.994 33.632 -9.667 121 H THR 15 H THR 15 -7.732 31.528 -13.870 122 HA THR 15 HA THR 15 -6.926 31.115 -16.462 123 HB THR 15 HB THR 15 -5.760 32.711 -15.097 124 HG1 THR 15 HG1 THR 15 -3.527 31.882 -15.454 125 HG21 THR 15 1HG2 THR 15 -5.662 30.558 -13.218 126 HG22 THR 15 2HG2 THR 15 -5.264 32.258 -12.974 127 HG23 THR 15 3HG2 THR 15 -4.023 31.132 -13.522 128 H GLY 16 H GLY 16 -6.994 29.138 -17.387 129 HA2 GLY 16 2HA GLY 16 -6.879 26.697 -17.073 130 HA3 GLY 16 3HA GLY 16 -5.406 27.283 -17.832 131 H LYS 17 H LYS 17 -6.855 26.457 -14.713 132 HA LYS 17 HA LYS 17 -4.236 25.490 -13.833 133 HB2 LYS 17 2HB LYS 17 -3.992 27.194 -12.406 134 HB3 LYS 17 3HB LYS 17 -5.599 27.806 -12.775 135 HG2 LYS 17 2HG LYS 17 -6.591 26.440 -11.098 136 HG3 LYS 17 3HG LYS 17 -5.081 25.561 -10.841 137 HD2 LYS 17 2HD LYS 17 -4.308 28.147 -10.423 138 HD3 LYS 17 3HD LYS 17 -5.957 28.155 -9.794 139 HE2 LYS 17 2HE LYS 17 -3.922 26.074 -9.031 140 HE3 LYS 17 3HE LYS 17 -4.126 27.582 -8.142 141 HZ1 LYS 17 1HZ LYS 17 -6.654 26.496 -8.435 142 HZ2 LYS 17 2HZ LYS 17 -5.739 26.595 -7.016 143 HZ3 LYS 17 3HZ LYS 17 -5.654 25.209 -7.983 144 H CYS 18 H CYS 18 -4.410 23.472 -13.132 145 HA CYS 18 HA CYS 18 -6.746 22.645 -11.604 146 HB2 CYS 18 2HB CYS 18 -5.887 21.269 -14.157 147 HB3 CYS 18 3HB CYS 18 -7.045 20.609 -13.008 148 H GLN 19 H GLN 19 -6.160 21.402 -9.947 149 HA GLN 19 HA GLN 19 -4.137 19.416 -10.088 150 HB2 GLN 19 2HB GLN 19 -2.336 20.371 -9.054 151 HB3 GLN 19 3HB GLN 19 -2.965 21.790 -9.880 152 HG2 GLN 19 2HG GLN 19 -4.322 22.044 -7.621 153 HG3 GLN 19 3HG GLN 19 -2.961 21.115 -6.996 154 HE21 GLN 19 1HE2 GLN 19 -0.794 21.990 -8.041 155 HE22 GLN 19 2HE2 GLN 19 -0.578 23.694 -7.863 156 H ARG 20 H ARG 20 -3.650 18.527 -7.839 157 HA ARG 20 HA ARG 20 -6.176 18.305 -6.432 158 HB2 ARG 20 2HB ARG 20 -5.306 16.376 -5.425 159 HB3 ARG 20 3HB ARG 20 -4.613 16.360 -7.041 160 HG2 ARG 20 2HG ARG 20 -2.696 17.707 -5.701 161 HG3 ARG 20 3HG ARG 20 -3.311 16.653 -4.426 162 HD2 ARG 20 2HD ARG 20 -3.123 14.972 -6.599 163 HD3 ARG 20 3HD ARG 20 -1.713 16.015 -6.776 164 HE ARG 20 HE ARG 20 -1.997 15.022 -4.115 165 HH11 ARG 20 1HH1 ARG 20 -0.874 14.220 -7.311 166 HH12 ARG 20 2HH1 ARG 20 0.279 13.053 -6.754 167 HH21 ARG 20 1HH2 ARG 20 -0.483 13.488 -3.369 168 HH22 ARG 20 2HH2 ARG 20 0.500 12.637 -4.512 169 H ALA 21 H ALA 21 -5.957 18.095 -3.940 170 HA ALA 21 HA ALA 21 -5.367 20.621 -2.899 171 HB1 ALA 21 1HB ALA 21 -5.722 17.983 -1.483 172 HB2 ALA 21 2HB ALA 21 -5.665 19.552 -0.678 173 HB3 ALA 21 3HB ALA 21 -6.964 19.191 -1.815 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.427 1.272 -0.289 2 HA2 GLY 1 2HA GLY 1 2.589 0.740 -2.231 3 HA3 GLY 1 3HA GLY 1 3.628 -0.046 -1.051 4 H SER 2 H SER 2 0.656 -0.632 -2.923 5 HA SER 2 HA SER 2 1.659 -3.322 -3.516 6 HB2 SER 2 2HB SER 2 0.147 -3.781 -1.741 7 HB3 SER 2 3HB SER 2 -1.046 -2.641 -2.362 8 HG SER 2 HG SER 2 -0.326 -5.174 -3.385 9 H LYS 3 H LYS 3 -0.923 -0.969 -4.197 10 HA LYS 3 HA LYS 3 -0.765 -1.757 -7.033 11 HB2 LYS 3 2HB LYS 3 -3.125 -0.686 -5.476 12 HB3 LYS 3 3HB LYS 3 -3.114 -0.939 -7.217 13 HG2 LYS 3 2HG LYS 3 -3.361 -3.166 -7.030 14 HG3 LYS 3 3HG LYS 3 -2.341 -3.267 -5.593 15 HD2 LYS 3 2HD LYS 3 -4.117 -3.250 -4.246 16 HD3 LYS 3 3HD LYS 3 -4.776 -1.817 -5.038 17 HE2 LYS 3 2HE LYS 3 -6.362 -3.603 -5.251 18 HE3 LYS 3 3HE LYS 3 -5.657 -3.290 -6.837 19 HZ1 LYS 3 1HZ LYS 3 -5.266 -5.592 -5.054 20 HZ2 LYS 3 2HZ LYS 3 -4.029 -5.162 -6.125 21 HZ3 LYS 3 3HZ LYS 3 -5.562 -5.563 -6.719 22 H LYS 4 H LYS 4 -1.651 0.100 -8.477 23 HA LYS 4 HA LYS 4 -0.338 2.591 -7.609 24 HB2 LYS 4 2HB LYS 4 -0.137 3.034 -10.101 25 HB3 LYS 4 3HB LYS 4 0.867 1.740 -9.458 26 HG2 LYS 4 2HG LYS 4 -0.373 0.087 -10.481 27 HG3 LYS 4 3HG LYS 4 -1.808 1.105 -10.621 28 HD2 LYS 4 2HD LYS 4 -0.921 2.297 -12.435 29 HD3 LYS 4 3HD LYS 4 0.722 1.743 -12.108 30 HE2 LYS 4 2HE LYS 4 -1.554 -0.009 -13.030 31 HE3 LYS 4 3HE LYS 4 -0.290 0.642 -14.072 32 HZ1 LYS 4 1HZ LYS 4 0.023 -1.306 -11.860 33 HZ2 LYS 4 2HZ LYS 4 1.331 -0.538 -12.608 34 HZ3 LYS 4 3HZ LYS 4 0.323 -1.557 -13.506 35 HA PRO 5 HA PRO 5 -4.832 3.596 -7.978 36 HB2 PRO 5 2HB PRO 5 -4.860 5.253 -5.828 37 HB3 PRO 5 3HB PRO 5 -5.074 3.503 -5.695 38 HG2 PRO 5 2HG PRO 5 -2.617 5.151 -5.236 39 HG3 PRO 5 3HG PRO 5 -3.251 3.797 -4.282 40 HD2 PRO 5 2HD PRO 5 -1.217 3.510 -6.047 41 HD3 PRO 5 3HD PRO 5 -2.388 2.216 -5.720 42 H VAL 6 H VAL 6 -5.720 6.031 -7.586 43 HA VAL 6 HA VAL 6 -3.849 8.022 -8.574 44 HB VAL 6 HB VAL 6 -6.303 7.258 -10.163 45 HG11 VAL 6 1HG1 VAL 6 -4.951 9.029 -11.701 46 HG12 VAL 6 2HG1 VAL 6 -6.301 9.457 -10.648 47 HG13 VAL 6 3HG1 VAL 6 -4.642 9.683 -10.093 48 HG21 VAL 6 1HG2 VAL 6 -4.595 5.706 -10.665 49 HG22 VAL 6 2HG2 VAL 6 -4.561 6.893 -11.968 50 HG23 VAL 6 3HG2 VAL 6 -3.355 6.960 -10.683 51 HA PRO 7 HA PRO 7 -6.493 10.231 -5.732 52 HB2 PRO 7 2HB PRO 7 -5.084 12.550 -5.816 53 HB3 PRO 7 3HB PRO 7 -4.563 11.143 -4.882 54 HG2 PRO 7 2HG PRO 7 -3.655 12.067 -7.580 55 HG3 PRO 7 3HG PRO 7 -2.690 11.454 -6.224 56 HD2 PRO 7 2HD PRO 7 -3.356 9.916 -8.351 57 HD3 PRO 7 3HD PRO 7 -3.169 9.253 -6.714 58 H ILE 8 H ILE 8 -7.660 12.342 -5.777 59 HA ILE 8 HA ILE 8 -8.462 12.994 -8.534 60 HB ILE 8 HB ILE 8 -10.605 13.756 -7.577 61 HG12 ILE 8 2HG1 ILE 8 -10.966 12.759 -5.152 62 HG13 ILE 8 3HG1 ILE 8 -9.225 12.993 -5.038 63 HG21 ILE 8 1HG2 ILE 8 -10.978 11.661 -8.331 64 HG22 ILE 8 2HG2 ILE 8 -9.626 10.980 -7.427 65 HG23 ILE 8 3HG2 ILE 8 -11.156 11.306 -6.613 66 HD11 ILE 8 1HD1 ILE 8 -9.444 15.186 -4.769 67 HD12 ILE 8 2HD1 ILE 8 -10.598 15.320 -6.097 68 HD13 ILE 8 3HD1 ILE 8 -11.155 14.863 -4.488 69 H ILE 9 H ILE 9 -8.704 15.130 -9.160 70 HA ILE 9 HA ILE 9 -7.803 17.175 -7.247 71 HB ILE 9 HB ILE 9 -6.385 18.217 -8.825 72 HG12 ILE 9 2HG1 ILE 9 -6.223 16.787 -11.133 73 HG13 ILE 9 3HG1 ILE 9 -7.935 16.615 -10.762 74 HG21 ILE 9 1HG2 ILE 9 -5.951 15.242 -9.061 75 HG22 ILE 9 2HG2 ILE 9 -4.739 16.493 -9.334 76 HG23 ILE 9 3HG2 ILE 9 -5.417 16.259 -7.723 77 HD11 ILE 9 1HD1 ILE 9 -6.378 19.119 -11.287 78 HD12 ILE 9 2HD1 ILE 9 -7.793 18.495 -12.136 79 HD13 ILE 9 3HD1 ILE 9 -7.959 19.146 -10.505 80 H ALA 10 H ALA 10 -8.546 19.314 -7.669 81 HA ALA 10 HA ALA 10 -11.067 19.353 -9.172 82 HB1 ALA 10 1HB ALA 10 -11.606 21.350 -7.844 83 HB2 ALA 10 2HB ALA 10 -11.256 19.950 -6.830 84 HB3 ALA 10 3HB ALA 10 -10.046 21.217 -7.032 85 H CYS 11 H CYS 11 -11.372 20.641 -10.896 86 HA CYS 11 HA CYS 11 -9.067 22.069 -11.940 87 HB2 CYS 11 2HB CYS 11 -11.252 20.666 -13.076 88 HB3 CYS 11 3HB CYS 11 -11.390 22.342 -13.600 89 H ASN 12 H ASN 12 -9.243 24.248 -12.776 90 HA ASN 12 HA ASN 12 -11.274 25.871 -11.393 91 HB2 ASN 12 2HB ASN 12 -9.017 25.997 -10.299 92 HB3 ASN 12 3HB ASN 12 -8.390 26.683 -11.795 93 HD21 ASN 12 1HD2 ASN 12 -7.933 28.711 -11.234 94 HD22 ASN 12 2HD2 ASN 12 -9.064 29.837 -10.570 95 H ARG 13 H ARG 13 -12.179 27.518 -12.539 96 HA ARG 13 HA ARG 13 -11.739 27.500 -15.398 97 HB2 ARG 13 2HB ARG 13 -13.656 29.094 -15.435 98 HB3 ARG 13 3HB ARG 13 -14.021 27.568 -14.641 99 HG2 ARG 13 2HG ARG 13 -14.398 28.544 -12.660 100 HG3 ARG 13 3HG ARG 13 -13.054 29.673 -12.847 101 HD2 ARG 13 2HD ARG 13 -15.323 30.733 -12.780 102 HD3 ARG 13 3HD ARG 13 -14.361 31.127 -14.204 103 HE ARG 13 HE ARG 13 -15.961 30.137 -15.490 104 HH11 ARG 13 1HH1 ARG 13 -16.287 28.979 -12.223 105 HH12 ARG 13 2HH1 ARG 13 -17.738 28.089 -12.544 106 HH21 ARG 13 1HH2 ARG 13 -17.872 28.969 -15.926 107 HH22 ARG 13 2HH2 ARG 13 -18.638 28.084 -14.651 108 H ARG 14 H ARG 14 -9.439 28.356 -14.471 109 HA ARG 14 HA ARG 14 -9.405 31.176 -15.223 110 HB2 ARG 14 2HB ARG 14 -8.013 30.141 -12.746 111 HB3 ARG 14 3HB ARG 14 -7.936 31.783 -13.370 112 HG2 ARG 14 2HG ARG 14 -10.455 30.437 -12.420 113 HG3 ARG 14 3HG ARG 14 -9.461 31.520 -11.444 114 HD2 ARG 14 2HD ARG 14 -10.047 32.735 -13.977 115 HD3 ARG 14 3HD ARG 14 -11.540 32.204 -13.204 116 HE ARG 14 HE ARG 14 -9.852 34.364 -12.387 117 HH11 ARG 14 1HH1 ARG 14 -12.110 31.961 -11.270 118 HH12 ARG 14 2HH1 ARG 14 -12.587 32.870 -9.874 119 HH21 ARG 14 1HH2 ARG 14 -10.472 35.570 -10.553 120 HH22 ARG 14 2HH2 ARG 14 -11.655 34.923 -9.468 121 H THR 15 H THR 15 -6.635 31.509 -14.534 122 HA THR 15 HA THR 15 -5.370 30.769 -16.856 123 HB THR 15 HB THR 15 -4.356 32.409 -15.425 124 HG1 THR 15 HG1 THR 15 -2.248 31.696 -15.580 125 HG21 THR 15 1HG2 THR 15 -3.123 30.882 -13.390 126 HG22 THR 15 2HG2 THR 15 -4.837 30.465 -13.385 127 HG23 THR 15 3HG2 THR 15 -4.338 32.148 -13.214 128 H GLY 16 H GLY 16 -5.437 28.716 -17.598 129 HA2 GLY 16 2HA GLY 16 -5.614 26.320 -17.054 130 HA3 GLY 16 3HA GLY 16 -3.971 26.713 -17.539 131 H LYS 17 H LYS 17 -6.084 26.329 -14.729 132 HA LYS 17 HA LYS 17 -3.796 25.269 -13.242 133 HB2 LYS 17 2HB LYS 17 -3.684 27.091 -11.950 134 HB3 LYS 17 3HB LYS 17 -5.120 27.777 -12.699 135 HG2 LYS 17 2HG LYS 17 -6.551 26.672 -11.152 136 HG3 LYS 17 3HG LYS 17 -5.213 25.717 -10.510 137 HD2 LYS 17 2HD LYS 17 -4.166 27.737 -9.643 138 HD3 LYS 17 3HD LYS 17 -5.461 28.720 -10.329 139 HE2 LYS 17 2HE LYS 17 -5.891 28.409 -7.989 140 HE3 LYS 17 3HE LYS 17 -7.077 27.483 -8.906 141 HZ1 LYS 17 1HZ LYS 17 -5.628 26.499 -6.881 142 HZ2 LYS 17 2HZ LYS 17 -4.680 26.027 -8.199 143 HZ3 LYS 17 3HZ LYS 17 -6.302 25.553 -8.111 144 H CYS 18 H CYS 18 -4.294 23.354 -12.418 145 HA CYS 18 HA CYS 18 -6.956 22.867 -11.343 146 HB2 CYS 18 2HB CYS 18 -5.736 21.171 -13.531 147 HB3 CYS 18 3HB CYS 18 -7.157 20.722 -12.594 148 H GLN 19 H GLN 19 -6.831 21.765 -9.497 149 HA GLN 19 HA GLN 19 -5.016 19.632 -9.040 150 HB2 GLN 19 2HB GLN 19 -3.376 20.555 -7.742 151 HB3 GLN 19 3HB GLN 19 -3.693 21.923 -8.801 152 HG2 GLN 19 2HG GLN 19 -5.443 22.510 -6.904 153 HG3 GLN 19 3HG GLN 19 -4.327 21.553 -5.932 154 HE21 GLN 19 1HE2 GLN 19 -4.571 24.056 -5.183 155 HE22 GLN 19 2HE2 GLN 19 -3.211 25.012 -5.653 156 H ARG 20 H ARG 20 -5.073 18.950 -6.669 157 HA ARG 20 HA ARG 20 -7.838 19.064 -5.805 158 HB2 ARG 20 2HB ARG 20 -7.371 17.193 -4.474 159 HB3 ARG 20 3HB ARG 20 -6.374 16.956 -5.903 160 HG2 ARG 20 2HG ARG 20 -4.727 16.572 -4.450 161 HG3 ARG 20 3HG ARG 20 -4.682 18.326 -4.263 162 HD2 ARG 20 2HD ARG 20 -5.615 18.263 -2.207 163 HD3 ARG 20 3HD ARG 20 -6.676 16.915 -2.617 164 HE ARG 20 HE ARG 20 -4.177 15.818 -2.515 165 HH11 ARG 20 1HH1 ARG 20 -6.158 17.653 -0.317 166 HH12 ARG 20 2HH1 ARG 20 -5.489 16.920 1.103 167 HH21 ARG 20 1HH2 ARG 20 -3.289 14.845 -0.653 168 HH22 ARG 20 2HH2 ARG 20 -3.857 15.324 0.911 169 H ALA 21 H ALA 21 -8.143 19.101 -3.313 170 HA ALA 21 HA ALA 21 -6.340 20.805 -1.854 171 HB1 ALA 21 1HB ALA 21 -9.041 21.871 -2.668 172 HB2 ALA 21 2HB ALA 21 -7.975 22.612 -1.474 173 HB3 ALA 21 3HB ALA 21 -7.468 22.498 -3.160 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.895 1.147 -3.823 2 HA2 GLY 1 2HA GLY 1 3.832 -0.185 -3.121 3 HA3 GLY 1 3HA GLY 1 2.898 -0.658 -1.710 4 H SER 2 H SER 2 0.469 -0.902 -3.500 5 HA SER 2 HA SER 2 1.167 -3.528 -4.640 6 HB2 SER 2 2HB SER 2 -0.876 -2.762 -2.776 7 HB3 SER 2 3HB SER 2 -1.636 -3.367 -4.248 8 HG SER 2 HG SER 2 -0.804 -4.857 -2.395 9 H LYS 3 H LYS 3 -1.539 -1.232 -4.975 10 HA LYS 3 HA LYS 3 -1.349 -1.571 -7.891 11 HB2 LYS 3 2HB LYS 3 -3.711 -0.474 -6.369 12 HB3 LYS 3 3HB LYS 3 -3.669 -1.044 -8.032 13 HG2 LYS 3 2HG LYS 3 -4.422 -2.986 -7.274 14 HG3 LYS 3 3HG LYS 3 -2.834 -3.229 -6.544 15 HD2 LYS 3 2HD LYS 3 -3.563 -2.345 -4.462 16 HD3 LYS 3 3HD LYS 3 -5.069 -1.752 -5.167 17 HE2 LYS 3 2HE LYS 3 -5.067 -4.466 -5.738 18 HE3 LYS 3 3HE LYS 3 -4.417 -4.370 -4.102 19 HZ1 LYS 3 1HZ LYS 3 -6.455 -4.035 -3.348 20 HZ2 LYS 3 2HZ LYS 3 -7.079 -4.139 -4.917 21 HZ3 LYS 3 3HZ LYS 3 -6.611 -2.639 -4.291 22 H LYS 4 H LYS 4 -2.244 0.428 -9.099 23 HA LYS 4 HA LYS 4 -0.999 2.831 -7.931 24 HB2 LYS 4 2HB LYS 4 -0.959 1.698 -10.691 25 HB3 LYS 4 3HB LYS 4 -0.914 3.447 -10.509 26 HG2 LYS 4 2HG LYS 4 1.015 2.926 -8.825 27 HG3 LYS 4 3HG LYS 4 1.103 1.404 -9.715 28 HD2 LYS 4 2HD LYS 4 2.512 2.596 -11.026 29 HD3 LYS 4 3HD LYS 4 1.003 3.122 -11.775 30 HE2 LYS 4 2HE LYS 4 2.062 5.135 -11.408 31 HE3 LYS 4 3HE LYS 4 1.078 4.986 -9.953 32 HZ1 LYS 4 1HZ LYS 4 3.549 3.724 -9.519 33 HZ2 LYS 4 2HZ LYS 4 2.905 5.076 -8.733 34 HZ3 LYS 4 3HZ LYS 4 3.843 5.275 -10.127 35 HA PRO 5 HA PRO 5 -5.495 3.767 -8.422 36 HB2 PRO 5 2HB PRO 5 -5.673 5.190 -6.117 37 HB3 PRO 5 3HB PRO 5 -5.845 3.432 -6.176 38 HG2 PRO 5 2HG PRO 5 -3.459 5.078 -5.426 39 HG3 PRO 5 3HG PRO 5 -4.100 3.618 -4.650 40 HD2 PRO 5 2HD PRO 5 -1.977 3.562 -6.330 41 HD3 PRO 5 3HD PRO 5 -3.126 2.215 -6.198 42 H VAL 6 H VAL 6 -6.472 6.125 -7.839 43 HA VAL 6 HA VAL 6 -4.612 8.252 -8.510 44 HB VAL 6 HB VAL 6 -6.952 7.598 -10.306 45 HG11 VAL 6 1HG1 VAL 6 -5.657 10.082 -9.750 46 HG12 VAL 6 2HG1 VAL 6 -5.304 9.602 -11.412 47 HG13 VAL 6 3HG1 VAL 6 -6.977 9.744 -10.870 48 HG21 VAL 6 1HG2 VAL 6 -5.160 6.148 -10.850 49 HG22 VAL 6 2HG2 VAL 6 -5.118 7.450 -12.039 50 HG23 VAL 6 3HG2 VAL 6 -3.972 7.442 -10.699 51 HA PRO 7 HA PRO 7 -7.471 10.089 -5.612 52 HB2 PRO 7 2HB PRO 7 -6.130 12.439 -5.378 53 HB3 PRO 7 3HB PRO 7 -5.618 10.955 -4.565 54 HG2 PRO 7 2HG PRO 7 -4.593 12.176 -7.099 55 HG3 PRO 7 3HG PRO 7 -3.686 11.450 -5.760 56 HD2 PRO 7 2HD PRO 7 -4.188 10.124 -8.067 57 HD3 PRO 7 3HD PRO 7 -4.070 9.301 -6.499 58 H ILE 8 H ILE 8 -8.441 12.419 -5.484 59 HA ILE 8 HA ILE 8 -9.344 13.128 -8.196 60 HB ILE 8 HB ILE 8 -11.360 14.060 -7.123 61 HG12 ILE 8 2HG1 ILE 8 -11.656 13.108 -4.671 62 HG13 ILE 8 3HG1 ILE 8 -9.898 13.202 -4.660 63 HG21 ILE 8 1HG2 ILE 8 -10.949 11.551 -7.815 64 HG22 ILE 8 2HG2 ILE 8 -11.180 11.278 -6.088 65 HG23 ILE 8 3HG2 ILE 8 -12.450 12.051 -7.036 66 HD11 ILE 8 1HD1 ILE 8 -11.136 15.626 -5.662 67 HD12 ILE 8 2HD1 ILE 8 -11.639 15.225 -4.020 68 HD13 ILE 8 3HD1 ILE 8 -9.926 15.406 -4.399 69 H ILE 9 H ILE 9 -9.453 15.273 -8.824 70 HA ILE 9 HA ILE 9 -8.281 17.248 -6.985 71 HB ILE 9 HB ILE 9 -6.882 18.168 -8.652 72 HG12 ILE 9 2HG1 ILE 9 -6.972 16.723 -10.954 73 HG13 ILE 9 3HG1 ILE 9 -8.667 16.687 -10.481 74 HG21 ILE 9 1HG2 ILE 9 -6.006 16.147 -7.593 75 HG22 ILE 9 2HG2 ILE 9 -6.702 15.167 -8.883 76 HG23 ILE 9 3HG2 ILE 9 -5.413 16.314 -9.246 77 HD11 ILE 9 1HD1 ILE 9 -8.461 18.546 -11.876 78 HD12 ILE 9 2HD1 ILE 9 -8.475 19.214 -10.243 79 HD13 ILE 9 3HD1 ILE 9 -6.952 19.058 -11.119 80 H ALA 10 H ALA 10 -8.877 19.437 -7.379 81 HA ALA 10 HA ALA 10 -11.472 19.671 -8.730 82 HB1 ALA 10 1HB ALA 10 -11.475 20.288 -6.387 83 HB2 ALA 10 2HB ALA 10 -10.182 21.454 -6.669 84 HB3 ALA 10 3HB ALA 10 -11.771 21.709 -7.389 85 H CYS 11 H CYS 11 -11.777 20.974 -10.444 86 HA CYS 11 HA CYS 11 -9.433 22.210 -11.635 87 HB2 CYS 11 2HB CYS 11 -11.786 20.982 -12.627 88 HB3 CYS 11 3HB CYS 11 -11.821 22.661 -13.156 89 H ASN 12 H ASN 12 -9.486 24.394 -12.476 90 HA ASN 12 HA ASN 12 -11.297 26.177 -10.989 91 HB2 ASN 12 2HB ASN 12 -8.975 26.128 -10.032 92 HB3 ASN 12 3HB ASN 12 -8.386 26.757 -11.568 93 HD21 ASN 12 1HD2 ASN 12 -7.738 28.744 -11.051 94 HD22 ASN 12 2HD2 ASN 12 -8.734 29.958 -10.331 95 H ARG 13 H ARG 13 -12.136 27.887 -12.093 96 HA ARG 13 HA ARG 13 -11.870 27.824 -14.973 97 HB2 ARG 13 2HB ARG 13 -13.666 29.250 -13.040 98 HB3 ARG 13 3HB ARG 13 -13.572 29.786 -14.712 99 HG2 ARG 13 2HG ARG 13 -15.109 28.272 -15.205 100 HG3 ARG 13 3HG ARG 13 -13.912 27.023 -14.853 101 HD2 ARG 13 2HD ARG 13 -15.313 28.212 -12.536 102 HD3 ARG 13 3HD ARG 13 -16.278 27.193 -13.603 103 HE ARG 13 HE ARG 13 -14.308 26.327 -11.746 104 HH11 ARG 13 1HH1 ARG 13 -15.686 25.621 -14.864 105 HH12 ARG 13 2HH1 ARG 13 -15.300 23.934 -14.798 106 HH21 ARG 13 1HH2 ARG 13 -13.794 24.107 -11.647 107 HH22 ARG 13 2HH2 ARG 13 -14.224 23.073 -12.967 108 H ARG 14 H ARG 14 -9.458 28.498 -14.191 109 HA ARG 14 HA ARG 14 -9.246 31.304 -14.967 110 HB2 ARG 14 2HB ARG 14 -7.795 30.170 -12.568 111 HB3 ARG 14 3HB ARG 14 -7.626 31.799 -13.209 112 HG2 ARG 14 2HG ARG 14 -10.182 30.660 -12.100 113 HG3 ARG 14 3HG ARG 14 -9.049 31.664 -11.193 114 HD2 ARG 14 2HD ARG 14 -9.689 32.913 -13.698 115 HD3 ARG 14 3HD ARG 14 -11.170 32.505 -12.832 116 HE ARG 14 HE ARG 14 -9.335 33.740 -11.079 117 HH11 ARG 14 1HH1 ARG 14 -11.461 34.455 -13.741 118 HH12 ARG 14 2HH1 ARG 14 -11.721 36.099 -13.262 119 HH21 ARG 14 1HH2 ARG 14 -9.670 35.903 -10.438 120 HH22 ARG 14 2HH2 ARG 14 -10.701 36.922 -11.383 121 H THR 15 H THR 15 -6.422 31.419 -14.446 122 HA THR 15 HA THR 15 -5.360 30.572 -16.833 123 HB THR 15 HB THR 15 -4.137 32.132 -15.478 124 HG1 THR 15 HG1 THR 15 -2.045 30.939 -15.407 125 HG21 THR 15 1HG2 THR 15 -2.909 30.521 -13.506 126 HG22 THR 15 2HG2 THR 15 -4.646 30.238 -13.397 127 HG23 THR 15 3HG2 THR 15 -4.009 31.877 -13.270 128 H GLY 16 H GLY 16 -5.634 28.528 -17.553 129 HA2 GLY 16 2HA GLY 16 -5.967 26.156 -16.979 130 HA3 GLY 16 3HA GLY 16 -4.330 26.416 -17.564 131 H LYS 17 H LYS 17 -6.295 26.210 -14.630 132 HA LYS 17 HA LYS 17 -4.013 24.977 -13.273 133 HB2 LYS 17 2HB LYS 17 -3.681 26.789 -12.005 134 HB3 LYS 17 3HB LYS 17 -5.100 27.585 -12.673 135 HG2 LYS 17 2HG LYS 17 -6.519 26.602 -11.034 136 HG3 LYS 17 3HG LYS 17 -5.224 25.545 -10.465 137 HD2 LYS 17 2HD LYS 17 -4.162 28.100 -10.260 138 HD3 LYS 17 3HD LYS 17 -5.839 28.286 -9.740 139 HE2 LYS 17 2HE LYS 17 -4.710 27.748 -7.775 140 HE3 LYS 17 3HE LYS 17 -5.402 26.210 -8.290 141 HZ1 LYS 17 1HZ LYS 17 -3.152 25.867 -9.429 142 HZ2 LYS 17 2HZ LYS 17 -3.227 25.684 -7.750 143 HZ3 LYS 17 3HZ LYS 17 -2.593 27.103 -8.418 144 H CYS 18 H CYS 18 -4.611 23.111 -12.405 145 HA CYS 18 HA CYS 18 -7.234 22.840 -11.170 146 HB2 CYS 18 2HB CYS 18 -6.284 21.045 -13.412 147 HB3 CYS 18 3HB CYS 18 -7.678 20.713 -12.389 148 H GLN 19 H GLN 19 -7.087 21.738 -9.326 149 HA GLN 19 HA GLN 19 -5.421 19.470 -8.959 150 HB2 GLN 19 2HB GLN 19 -3.640 20.264 -7.768 151 HB3 GLN 19 3HB GLN 19 -3.909 21.648 -8.819 152 HG2 GLN 19 2HG GLN 19 -5.492 22.381 -6.828 153 HG3 GLN 19 3HG GLN 19 -4.399 21.344 -5.914 154 HE21 GLN 19 1HE2 GLN 19 -3.358 22.896 -4.775 155 HE22 GLN 19 2HE2 GLN 19 -2.361 24.114 -5.488 156 H ARG 20 H ARG 20 -5.390 18.803 -6.584 157 HA ARG 20 HA ARG 20 -8.082 19.139 -5.558 158 HB2 ARG 20 2HB ARG 20 -7.686 17.241 -4.242 159 HB3 ARG 20 3HB ARG 20 -6.797 16.922 -5.725 160 HG2 ARG 20 2HG ARG 20 -4.911 18.163 -4.192 161 HG3 ARG 20 3HG ARG 20 -5.833 17.257 -2.991 162 HD2 ARG 20 2HD ARG 20 -5.568 15.407 -4.960 163 HD3 ARG 20 3HD ARG 20 -4.062 16.307 -5.136 164 HE ARG 20 HE ARG 20 -4.558 15.639 -2.418 165 HH11 ARG 20 1HH1 ARG 20 -3.458 14.319 -5.445 166 HH12 ARG 20 2HH1 ARG 20 -2.482 13.093 -4.706 167 HH21 ARG 20 1HH2 ARG 20 -3.277 14.029 -1.432 168 HH22 ARG 20 2HH2 ARG 20 -2.381 12.929 -2.423 169 H ALA 21 H ALA 21 -8.234 19.209 -3.054 170 HA ALA 21 HA ALA 21 -6.217 20.799 -1.739 171 HB1 ALA 21 1HB ALA 21 -8.872 21.992 -2.498 172 HB2 ALA 21 2HB ALA 21 -7.873 22.632 -1.192 173 HB3 ALA 21 3HB ALA 21 -7.256 22.609 -2.845 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.398 0.394 -3.155 2 HA2 GLY 1 2HA GLY 1 4.306 -1.687 -3.672 3 HA3 GLY 1 3HA GLY 1 3.414 -1.437 -2.179 4 H SER 2 H SER 2 0.880 -1.435 -3.892 5 HA SER 2 HA SER 2 0.732 -4.332 -4.385 6 HB2 SER 2 2HB SER 2 -1.042 -2.624 -2.676 7 HB3 SER 2 3HB SER 2 -1.720 -4.028 -3.500 8 HG SER 2 HG SER 2 0.662 -4.388 -2.101 9 H LYS 3 H LYS 3 -1.022 -1.261 -4.811 10 HA LYS 3 HA LYS 3 -1.564 -2.046 -7.588 11 HB2 LYS 3 2HB LYS 3 -3.848 -1.091 -7.388 12 HB3 LYS 3 3HB LYS 3 -3.608 -2.522 -6.394 13 HG2 LYS 3 2HG LYS 3 -2.943 -0.481 -4.685 14 HG3 LYS 3 3HG LYS 3 -4.272 0.205 -5.623 15 HD2 LYS 3 2HD LYS 3 -5.789 -1.331 -4.851 16 HD3 LYS 3 3HD LYS 3 -4.560 -2.567 -4.575 17 HE2 LYS 3 2HE LYS 3 -4.160 -1.870 -2.476 18 HE3 LYS 3 3HE LYS 3 -4.262 -0.167 -2.919 19 HZ1 LYS 3 1HZ LYS 3 -6.758 -1.664 -2.932 20 HZ2 LYS 3 2HZ LYS 3 -6.450 -0.077 -2.435 21 HZ3 LYS 3 3HZ LYS 3 -6.070 -1.371 -1.415 22 H LYS 4 H LYS 4 -2.314 -0.144 -8.910 23 HA LYS 4 HA LYS 4 -0.885 2.282 -8.040 24 HB2 LYS 4 2HB LYS 4 -1.151 0.949 -10.707 25 HB3 LYS 4 3HB LYS 4 -0.905 2.689 -10.637 26 HG2 LYS 4 2HG LYS 4 0.987 1.548 -8.899 27 HG3 LYS 4 3HG LYS 4 1.004 0.580 -10.376 28 HD2 LYS 4 2HD LYS 4 0.930 3.509 -10.743 29 HD3 LYS 4 3HD LYS 4 2.419 2.851 -10.061 30 HE2 LYS 4 2HE LYS 4 2.923 1.665 -11.957 31 HE3 LYS 4 3HE LYS 4 1.235 1.517 -12.444 32 HZ1 LYS 4 1HZ LYS 4 2.263 3.007 -13.939 33 HZ2 LYS 4 2HZ LYS 4 2.986 3.895 -12.694 34 HZ3 LYS 4 3HZ LYS 4 1.310 3.959 -12.915 35 HA PRO 5 HA PRO 5 -5.346 3.447 -8.310 36 HB2 PRO 5 2HB PRO 5 -5.276 5.074 -6.139 37 HB3 PRO 5 3HB PRO 5 -5.549 3.332 -6.025 38 HG2 PRO 5 2HG PRO 5 -3.028 4.886 -5.591 39 HG3 PRO 5 3HG PRO 5 -3.691 3.542 -4.643 40 HD2 PRO 5 2HD PRO 5 -1.702 3.209 -6.450 41 HD3 PRO 5 3HD PRO 5 -2.911 1.952 -6.119 42 H VAL 6 H VAL 6 -6.152 5.897 -7.894 43 HA VAL 6 HA VAL 6 -4.230 7.844 -8.870 44 HB VAL 6 HB VAL 6 -6.715 7.171 -10.453 45 HG11 VAL 6 1HG1 VAL 6 -4.919 9.521 -10.422 46 HG12 VAL 6 2HG1 VAL 6 -5.410 8.913 -12.004 47 HG13 VAL 6 3HG1 VAL 6 -6.630 9.405 -10.829 48 HG21 VAL 6 1HG2 VAL 6 -3.780 6.813 -11.015 49 HG22 VAL 6 2HG2 VAL 6 -5.035 5.575 -10.963 50 HG23 VAL 6 3HG2 VAL 6 -5.016 6.756 -12.272 51 HA PRO 7 HA PRO 7 -6.790 10.095 -5.986 52 HB2 PRO 7 2HB PRO 7 -5.315 12.373 -6.052 53 HB3 PRO 7 3HB PRO 7 -4.830 10.941 -5.137 54 HG2 PRO 7 2HG PRO 7 -3.911 11.869 -7.831 55 HG3 PRO 7 3HG PRO 7 -2.957 11.213 -6.489 56 HD2 PRO 7 2HD PRO 7 -3.680 9.720 -8.628 57 HD3 PRO 7 3HD PRO 7 -3.502 9.033 -7.001 58 H ILE 8 H ILE 8 -7.935 12.200 -6.001 59 HA ILE 8 HA ILE 8 -8.710 12.931 -8.746 60 HB ILE 8 HB ILE 8 -10.840 13.712 -7.779 61 HG12 ILE 8 2HG1 ILE 8 -11.228 12.677 -5.374 62 HG13 ILE 8 3HG1 ILE 8 -9.483 12.875 -5.251 63 HG21 ILE 8 1HG2 ILE 8 -10.185 11.221 -8.458 64 HG22 ILE 8 2HG2 ILE 8 -10.625 10.936 -6.775 65 HG23 ILE 8 3HG2 ILE 8 -11.794 11.655 -7.882 66 HD11 ILE 8 1HD1 ILE 8 -10.802 15.248 -6.271 67 HD12 ILE 8 2HD1 ILE 8 -11.378 14.773 -4.673 68 HD13 ILE 8 3HD1 ILE 8 -9.660 15.065 -4.940 69 H ILE 9 H ILE 9 -8.911 15.083 -9.328 70 HA ILE 9 HA ILE 9 -7.975 17.072 -7.372 71 HB ILE 9 HB ILE 9 -6.535 18.118 -8.926 72 HG12 ILE 9 2HG1 ILE 9 -6.395 16.732 -11.263 73 HG13 ILE 9 3HG1 ILE 9 -8.111 16.586 -10.898 74 HG21 ILE 9 1HG2 ILE 9 -6.156 15.141 -9.221 75 HG22 ILE 9 2HG2 ILE 9 -4.921 16.374 -9.468 76 HG23 ILE 9 3HG2 ILE 9 -5.606 16.121 -7.862 77 HD11 ILE 9 1HD1 ILE 9 -6.506 19.070 -11.370 78 HD12 ILE 9 2HD1 ILE 9 -7.932 18.490 -12.232 79 HD13 ILE 9 3HD1 ILE 9 -8.087 19.111 -10.588 80 H ALA 10 H ALA 10 -8.676 19.232 -7.751 81 HA ALA 10 HA ALA 10 -11.193 19.349 -9.256 82 HB1 ALA 10 1HB ALA 10 -11.698 21.328 -7.888 83 HB2 ALA 10 2HB ALA 10 -11.374 19.902 -6.902 84 HB3 ALA 10 3HB ALA 10 -10.141 21.151 -7.077 85 H CYS 11 H CYS 11 -11.471 20.679 -10.954 86 HA CYS 11 HA CYS 11 -9.137 22.083 -11.965 87 HB2 CYS 11 2HB CYS 11 -11.347 20.746 -13.132 88 HB3 CYS 11 3HB CYS 11 -11.451 22.434 -13.622 89 H ASN 12 H ASN 12 -9.271 24.283 -12.756 90 HA ASN 12 HA ASN 12 -11.273 25.914 -11.343 91 HB2 ASN 12 2HB ASN 12 -9.014 25.976 -10.245 92 HB3 ASN 12 3HB ASN 12 -8.373 26.680 -11.726 93 HD21 ASN 12 1HD2 ASN 12 -7.878 28.687 -11.122 94 HD22 ASN 12 2HD2 ASN 12 -8.988 29.820 -10.436 95 H ARG 13 H ARG 13 -12.145 27.602 -12.456 96 HA ARG 13 HA ARG 13 -11.702 27.634 -15.314 97 HB2 ARG 13 2HB ARG 13 -13.688 28.923 -13.469 98 HB3 ARG 13 3HB ARG 13 -13.537 29.467 -15.135 99 HG2 ARG 13 2HG ARG 13 -14.292 27.447 -15.996 100 HG3 ARG 13 3HG ARG 13 -13.946 26.572 -14.503 101 HD2 ARG 13 2HD ARG 13 -15.928 28.787 -14.413 102 HD3 ARG 13 3HD ARG 13 -16.408 27.271 -15.174 103 HE ARG 13 HE ARG 13 -15.265 26.630 -12.727 104 HH11 ARG 13 1HH1 ARG 13 -18.024 28.386 -13.920 105 HH12 ARG 13 2HH1 ARG 13 -18.998 28.062 -12.523 106 HH21 ARG 13 1HH2 ARG 13 -16.536 26.196 -10.884 107 HH22 ARG 13 2HH2 ARG 13 -18.150 26.817 -10.797 108 H ARG 14 H ARG 14 -9.387 28.427 -14.369 109 HA ARG 14 HA ARG 14 -9.299 31.260 -15.064 110 HB2 ARG 14 2HB ARG 14 -7.930 30.151 -12.606 111 HB3 ARG 14 3HB ARG 14 -7.824 31.804 -13.197 112 HG2 ARG 14 2HG ARG 14 -10.369 30.484 -12.281 113 HG3 ARG 14 3HG ARG 14 -9.357 31.522 -11.276 114 HD2 ARG 14 2HD ARG 14 -10.408 32.460 -13.923 115 HD3 ARG 14 3HD ARG 14 -11.390 32.564 -12.462 116 HE ARG 14 HE ARG 14 -9.160 34.219 -13.164 117 HH11 ARG 14 1HH1 ARG 14 -10.995 32.902 -10.515 118 HH12 ARG 14 2HH1 ARG 14 -10.563 34.169 -9.415 119 HH21 ARG 14 1HH2 ARG 14 -8.585 35.893 -11.725 120 HH22 ARG 14 2HH2 ARG 14 -9.193 35.870 -10.104 121 H THR 15 H THR 15 -6.524 31.528 -14.364 122 HA THR 15 HA THR 15 -5.268 30.810 -16.697 123 HB THR 15 HB THR 15 -4.227 32.402 -15.231 124 HG1 THR 15 HG1 THR 15 -2.171 31.711 -15.521 125 HG21 THR 15 1HG2 THR 15 -4.222 32.094 -13.025 126 HG22 THR 15 2HG2 THR 15 -3.027 30.812 -13.226 127 HG23 THR 15 3HG2 THR 15 -4.747 30.424 -13.233 128 H GLY 16 H GLY 16 -5.372 28.775 -17.481 129 HA2 GLY 16 2HA GLY 16 -5.596 26.372 -16.986 130 HA3 GLY 16 3HA GLY 16 -3.946 26.744 -17.460 131 H LYS 17 H LYS 17 -6.071 26.341 -14.662 132 HA LYS 17 HA LYS 17 -3.806 25.209 -13.193 133 HB2 LYS 17 2HB LYS 17 -3.662 27.002 -11.865 134 HB3 LYS 17 3HB LYS 17 -5.083 27.730 -12.601 135 HG2 LYS 17 2HG LYS 17 -6.537 26.620 -11.078 136 HG3 LYS 17 3HG LYS 17 -5.218 25.627 -10.455 137 HD2 LYS 17 2HD LYS 17 -5.245 28.632 -10.262 138 HD3 LYS 17 3HD LYS 17 -5.911 27.581 -9.009 139 HE2 LYS 17 2HE LYS 17 -3.260 26.738 -9.793 140 HE3 LYS 17 3HE LYS 17 -3.266 28.422 -9.274 141 HZ1 LYS 17 1HZ LYS 17 -2.913 26.672 -7.500 142 HZ2 LYS 17 2HZ LYS 17 -4.551 26.290 -7.676 143 HZ3 LYS 17 3HZ LYS 17 -4.094 27.841 -7.180 144 H CYS 18 H CYS 18 -4.341 23.288 -12.410 145 HA CYS 18 HA CYS 18 -7.013 22.828 -11.349 146 HB2 CYS 18 2HB CYS 18 -5.821 21.154 -13.569 147 HB3 CYS 18 3HB CYS 18 -7.253 20.714 -12.643 148 H GLN 19 H GLN 19 -6.912 21.687 -9.526 149 HA GLN 19 HA GLN 19 -5.138 19.511 -9.109 150 HB2 GLN 19 2HB GLN 19 -3.484 20.376 -7.790 151 HB3 GLN 19 3HB GLN 19 -3.773 21.771 -8.823 152 HG2 GLN 19 2HG GLN 19 -5.515 22.354 -6.918 153 HG3 GLN 19 3HG GLN 19 -4.420 21.356 -5.962 154 HE21 GLN 19 1HE2 GLN 19 -4.209 23.482 -4.848 155 HE22 GLN 19 2HE2 GLN 19 -2.988 24.563 -5.419 156 H ARG 20 H ARG 20 -5.212 18.782 -6.754 157 HA ARG 20 HA ARG 20 -7.977 18.930 -5.891 158 HB2 ARG 20 2HB ARG 20 -7.548 17.024 -4.598 159 HB3 ARG 20 3HB ARG 20 -6.553 16.798 -6.030 160 HG2 ARG 20 2HG ARG 20 -4.899 16.371 -4.603 161 HG3 ARG 20 3HG ARG 20 -4.853 18.115 -4.335 162 HD2 ARG 20 2HD ARG 20 -5.270 17.687 -2.190 163 HD3 ARG 20 3HD ARG 20 -6.897 17.225 -2.688 164 HE ARG 20 HE ARG 20 -5.507 14.951 -3.060 165 HH11 ARG 20 1HH1 ARG 20 -5.745 17.151 -0.373 166 HH12 ARG 20 2HH1 ARG 20 -5.474 15.926 0.822 167 HH21 ARG 20 1HH2 ARG 20 -5.150 13.330 -1.497 168 HH22 ARG 20 2HH2 ARG 20 -5.135 13.753 0.182 169 H ALA 21 H ALA 21 -8.284 18.921 -3.399 170 HA ALA 21 HA ALA 21 -6.452 20.600 -1.930 171 HB1 ALA 21 1HB ALA 21 -8.069 22.382 -1.480 172 HB2 ALA 21 2HB ALA 21 -7.675 22.281 -3.196 173 HB3 ALA 21 3HB ALA 21 -9.205 21.633 -2.603 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.698 -2.619 -12.514 2 HA2 GLY 1 2HA GLY 1 2.466 -3.781 -10.191 3 HA3 GLY 1 3HA GLY 1 1.580 -2.264 -10.232 4 H SER 2 H SER 2 0.807 -3.024 -8.115 5 HA SER 2 HA SER 2 -1.275 -5.087 -8.310 6 HB2 SER 2 2HB SER 2 -0.991 -4.256 -5.625 7 HB3 SER 2 3HB SER 2 -0.453 -5.775 -6.343 8 HG SER 2 HG SER 2 1.171 -4.344 -5.267 9 H LYS 3 H LYS 3 -0.712 -1.803 -7.085 10 HA LYS 3 HA LYS 3 -3.596 -1.295 -7.376 11 HB2 LYS 3 2HB LYS 3 -2.134 -1.293 -4.964 12 HB3 LYS 3 3HB LYS 3 -2.440 0.395 -5.353 13 HG2 LYS 3 2HG LYS 3 -4.856 -0.195 -5.624 14 HG3 LYS 3 3HG LYS 3 -4.467 -1.798 -4.994 15 HD2 LYS 3 2HD LYS 3 -3.459 -0.574 -2.991 16 HD3 LYS 3 3HD LYS 3 -4.293 0.859 -3.597 17 HE2 LYS 3 2HE LYS 3 -5.986 0.123 -2.312 18 HE3 LYS 3 3HE LYS 3 -6.295 -0.964 -3.665 19 HZ1 LYS 3 1HZ LYS 3 -6.133 -1.954 -1.330 20 HZ2 LYS 3 2HZ LYS 3 -4.462 -1.741 -1.486 21 HZ3 LYS 3 3HZ LYS 3 -5.294 -2.732 -2.576 22 H LYS 4 H LYS 4 -3.999 1.178 -7.307 23 HA LYS 4 HA LYS 4 -1.965 2.465 -9.008 24 HB2 LYS 4 2HB LYS 4 -3.944 3.855 -9.827 25 HB3 LYS 4 3HB LYS 4 -3.883 2.176 -10.346 26 HG2 LYS 4 2HG LYS 4 -5.653 1.555 -9.005 27 HG3 LYS 4 3HG LYS 4 -5.434 2.920 -7.907 28 HD2 LYS 4 2HD LYS 4 -6.358 4.442 -9.470 29 HD3 LYS 4 3HD LYS 4 -6.286 3.255 -10.775 30 HE2 LYS 4 2HE LYS 4 -7.838 1.896 -9.106 31 HE3 LYS 4 3HE LYS 4 -8.225 3.520 -8.539 32 HZ1 LYS 4 1HZ LYS 4 -8.312 2.896 -11.417 33 HZ2 LYS 4 2HZ LYS 4 -9.135 4.101 -10.563 34 HZ3 LYS 4 3HZ LYS 4 -9.617 2.486 -10.422 35 HA PRO 5 HA PRO 5 -2.143 4.930 -5.106 36 HB2 PRO 5 2HB PRO 5 0.528 5.410 -5.031 37 HB3 PRO 5 3HB PRO 5 -0.205 3.949 -4.358 38 HG2 PRO 5 2HG PRO 5 1.164 4.341 -6.991 39 HG3 PRO 5 3HG PRO 5 1.308 2.996 -5.845 40 HD2 PRO 5 2HD PRO 5 -0.225 2.853 -8.073 41 HD3 PRO 5 3HD PRO 5 -0.641 2.003 -6.571 42 H VAL 6 H VAL 6 -3.278 6.499 -6.438 43 HA VAL 6 HA VAL 6 -1.582 8.771 -7.066 44 HB VAL 6 HB VAL 6 -3.454 7.600 -9.129 45 HG11 VAL 6 1HG1 VAL 6 -2.526 10.286 -8.714 46 HG12 VAL 6 2HG1 VAL 6 -1.905 9.654 -10.240 47 HG13 VAL 6 3HG1 VAL 6 -3.641 9.664 -9.929 48 HG21 VAL 6 1HG2 VAL 6 -1.300 7.547 -10.480 49 HG22 VAL 6 2HG2 VAL 6 -0.458 7.785 -8.949 50 HG23 VAL 6 3HG2 VAL 6 -1.457 6.352 -9.193 51 HA PRO 7 HA PRO 7 -5.123 10.517 -4.979 52 HB2 PRO 7 2HB PRO 7 -4.128 13.039 -4.844 53 HB3 PRO 7 3HB PRO 7 -3.610 11.743 -3.759 54 HG2 PRO 7 2HG PRO 7 -2.277 12.796 -6.224 55 HG3 PRO 7 3HG PRO 7 -1.558 12.359 -4.663 56 HD2 PRO 7 2HD PRO 7 -1.466 10.722 -6.818 57 HD3 PRO 7 3HD PRO 7 -1.549 10.107 -5.155 58 H ILE 8 H ILE 8 -6.605 12.356 -5.379 59 HA ILE 8 HA ILE 8 -6.840 12.880 -8.267 60 HB ILE 8 HB ILE 8 -9.244 13.244 -7.856 61 HG12 ILE 8 2HG1 ILE 8 -9.983 12.190 -5.543 62 HG13 ILE 8 3HG1 ILE 8 -8.383 12.726 -5.041 63 HG21 ILE 8 1HG2 ILE 8 -9.354 11.115 -8.475 64 HG22 ILE 8 2HG2 ILE 8 -7.818 10.761 -7.685 65 HG23 ILE 8 3HG2 ILE 8 -9.323 10.660 -6.771 66 HD11 ILE 8 1HD1 ILE 8 -9.847 14.781 -6.473 67 HD12 ILE 8 2HD1 ILE 8 -10.681 14.226 -5.022 68 HD13 ILE 8 3HD1 ILE 8 -9.034 14.844 -4.910 69 H ILE 9 H ILE 9 -7.298 14.942 -9.007 70 HA ILE 9 HA ILE 9 -7.233 17.105 -7.014 71 HB ILE 9 HB ILE 9 -5.692 18.389 -8.262 72 HG12 ILE 9 2HG1 ILE 9 -4.756 17.025 -10.421 73 HG13 ILE 9 3HG1 ILE 9 -6.450 16.549 -10.444 74 HG21 ILE 9 1HG2 ILE 9 -3.699 16.990 -8.317 75 HG22 ILE 9 2HG2 ILE 9 -4.683 16.627 -6.900 76 HG23 ILE 9 3HG2 ILE 9 -4.704 15.540 -8.289 77 HD11 ILE 9 1HD1 ILE 9 -6.323 18.431 -11.816 78 HD12 ILE 9 2HD1 ILE 9 -6.973 19.034 -10.290 79 HD13 ILE 9 3HD1 ILE 9 -5.275 19.292 -10.689 80 H ALA 10 H ALA 10 -8.219 19.080 -7.671 81 HA ALA 10 HA ALA 10 -10.291 18.679 -9.710 82 HB1 ALA 10 1HB ALA 10 -11.462 20.541 -8.613 83 HB2 ALA 10 2HB ALA 10 -11.116 19.221 -7.495 84 HB3 ALA 10 3HB ALA 10 -10.133 20.684 -7.462 85 H CYS 11 H CYS 11 -10.409 19.903 -11.503 86 HA CYS 11 HA CYS 11 -8.209 21.722 -12.044 87 HB2 CYS 11 2HB CYS 11 -9.795 19.961 -13.597 88 HB3 CYS 11 3HB CYS 11 -10.096 21.588 -14.199 89 H ASN 12 H ASN 12 -8.563 23.840 -12.976 90 HA ASN 12 HA ASN 12 -11.109 25.069 -12.151 91 HB2 ASN 12 2HB ASN 12 -9.221 25.588 -10.577 92 HB3 ASN 12 3HB ASN 12 -8.396 26.383 -11.915 93 HD21 ASN 12 1HD2 ASN 12 -8.440 28.456 -11.336 94 HD22 ASN 12 2HD2 ASN 12 -9.871 29.360 -10.988 95 H ARG 13 H ARG 13 -11.997 26.536 -13.532 96 HA ARG 13 HA ARG 13 -10.913 26.611 -16.213 97 HB2 ARG 13 2HB ARG 13 -13.016 27.836 -16.746 98 HB3 ARG 13 3HB ARG 13 -13.285 26.269 -15.994 99 HG2 ARG 13 2HG ARG 13 -14.123 27.171 -14.079 100 HG3 ARG 13 3HG ARG 13 -13.174 28.651 -14.230 101 HD2 ARG 13 2HD ARG 13 -14.965 29.667 -15.059 102 HD3 ARG 13 3HD ARG 13 -14.895 28.586 -16.450 103 HE ARG 13 HE ARG 13 -16.737 28.461 -14.244 104 HH11 ARG 13 1HH1 ARG 13 -15.199 26.673 -16.805 105 HH12 ARG 13 2HH1 ARG 13 -16.442 25.469 -16.888 106 HH21 ARG 13 1HH2 ARG 13 -18.380 26.882 -14.344 107 HH22 ARG 13 2HH2 ARG 13 -18.252 25.589 -15.488 108 H ARG 14 H ARG 14 -9.073 27.856 -14.818 109 HA ARG 14 HA ARG 14 -9.357 30.642 -15.644 110 HB2 ARG 14 2HB ARG 14 -8.417 29.860 -12.879 111 HB3 ARG 14 3HB ARG 14 -8.488 31.492 -13.529 112 HG2 ARG 14 2HG ARG 14 -10.883 29.712 -13.134 113 HG3 ARG 14 3HG ARG 14 -10.346 30.944 -11.990 114 HD2 ARG 14 2HD ARG 14 -10.847 32.692 -13.461 115 HD3 ARG 14 3HD ARG 14 -10.906 31.618 -14.857 116 HE ARG 14 HE ARG 14 -13.105 31.225 -14.396 117 HH11 ARG 14 1HH1 ARG 14 -11.573 32.488 -11.536 118 HH12 ARG 14 2HH1 ARG 14 -13.050 32.608 -10.639 119 HH21 ARG 14 1HH2 ARG 14 -15.057 31.379 -13.225 120 HH22 ARG 14 2HH2 ARG 14 -15.031 31.976 -11.601 121 H THR 15 H THR 15 -6.923 31.458 -14.353 122 HA THR 15 HA THR 15 -5.046 30.966 -16.295 123 HB THR 15 HB THR 15 -4.692 32.752 -14.729 124 HG1 THR 15 HG1 THR 15 -2.479 32.130 -14.011 125 HG21 THR 15 1HG2 THR 15 -5.144 32.484 -12.565 126 HG22 THR 15 2HG2 THR 15 -3.718 31.458 -12.413 127 HG23 THR 15 3HG2 THR 15 -5.285 30.741 -12.785 128 H GLY 16 H GLY 16 -4.581 28.938 -16.959 129 HA2 GLY 16 2HA GLY 16 -4.461 26.545 -16.383 130 HA3 GLY 16 3HA GLY 16 -2.845 27.226 -16.494 131 H LYS 17 H LYS 17 -5.450 26.457 -14.229 132 HA LYS 17 HA LYS 17 -3.419 25.813 -12.221 133 HB2 LYS 17 2HB LYS 17 -3.928 27.619 -11.005 134 HB3 LYS 17 3HB LYS 17 -5.249 28.043 -12.086 135 HG2 LYS 17 2HG LYS 17 -6.784 26.693 -10.867 136 HG3 LYS 17 3HG LYS 17 -5.484 25.987 -9.903 137 HD2 LYS 17 2HD LYS 17 -5.191 28.715 -9.525 138 HD3 LYS 17 3HD LYS 17 -6.939 28.473 -9.530 139 HE2 LYS 17 2HE LYS 17 -6.907 27.216 -7.630 140 HE3 LYS 17 3HE LYS 17 -5.303 26.564 -7.958 141 HZ1 LYS 17 1HZ LYS 17 -4.894 27.964 -6.208 142 HZ2 LYS 17 2HZ LYS 17 -6.048 29.104 -6.684 143 HZ3 LYS 17 3HZ LYS 17 -4.574 28.999 -7.507 144 H CYS 18 H CYS 18 -3.753 23.836 -11.465 145 HA CYS 18 HA CYS 18 -6.465 22.878 -11.010 146 HB2 CYS 18 2HB CYS 18 -4.496 21.437 -12.799 147 HB3 CYS 18 3HB CYS 18 -5.995 20.737 -12.195 148 H GLN 19 H GLN 19 -6.580 21.806 -9.146 149 HA GLN 19 HA GLN 19 -4.578 20.026 -8.210 150 HB2 GLN 19 2HB GLN 19 -3.470 21.218 -6.604 151 HB3 GLN 19 3HB GLN 19 -3.763 22.512 -7.758 152 HG2 GLN 19 2HG GLN 19 -5.980 22.774 -6.337 153 HG3 GLN 19 3HG GLN 19 -4.972 22.027 -5.098 154 HE21 GLN 19 1HE2 GLN 19 -4.673 23.741 -3.787 155 HE22 GLN 19 2HE2 GLN 19 -3.869 25.197 -4.254 156 H ARG 20 H ARG 20 -5.062 19.333 -5.892 157 HA ARG 20 HA ARG 20 -7.929 18.950 -5.686 158 HB2 ARG 20 2HB ARG 20 -7.465 17.184 -4.218 159 HB3 ARG 20 3HB ARG 20 -6.138 17.136 -5.372 160 HG2 ARG 20 2HG ARG 20 -5.060 18.733 -3.501 161 HG3 ARG 20 3HG ARG 20 -6.128 17.753 -2.494 162 HD2 ARG 20 2HD ARG 20 -4.773 16.065 -4.361 163 HD3 ARG 20 3HD ARG 20 -3.592 17.073 -3.527 164 HE ARG 20 HE ARG 20 -5.162 14.945 -2.400 165 HH11 ARG 20 1HH1 ARG 20 -3.400 17.872 -1.728 166 HH12 ARG 20 2HH1 ARG 20 -3.103 17.467 -0.070 167 HH21 ARG 20 1HH2 ARG 20 -4.776 14.401 -0.218 168 HH22 ARG 20 2HH2 ARG 20 -3.885 15.492 0.788 169 H ALA 21 H ALA 21 -8.801 18.918 -3.331 170 HA ALA 21 HA ALA 21 -8.629 21.598 -2.353 171 HB1 ALA 21 1HB ALA 21 -9.950 19.715 -0.574 172 HB2 ALA 21 2HB ALA 21 -10.590 21.141 -1.392 173 HB3 ALA 21 3HB ALA 21 -10.518 19.596 -2.240 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -9.812 -0.351 -2.112 2 HA2 GLY 1 2HA GLY 1 -8.304 1.413 -2.888 3 HA3 GLY 1 3HA GLY 1 -8.450 2.140 -1.294 4 H SER 2 H SER 2 -6.430 0.439 -3.221 5 HA SER 2 HA SER 2 -4.918 -0.550 -0.909 6 HB2 SER 2 2HB SER 2 -6.192 -2.215 -2.810 7 HB3 SER 2 3HB SER 2 -4.463 -2.285 -3.154 8 HG SER 2 HG SER 2 -5.677 -2.734 -0.626 9 H LYS 3 H LYS 3 -4.766 -0.071 -4.437 10 HA LYS 3 HA LYS 3 -2.008 0.906 -4.097 11 HB2 LYS 3 2HB LYS 3 -3.347 -0.334 -6.506 12 HB3 LYS 3 3HB LYS 3 -1.731 0.360 -6.520 13 HG2 LYS 3 2HG LYS 3 -1.337 -1.317 -4.541 14 HG3 LYS 3 3HG LYS 3 -2.706 -2.158 -5.272 15 HD2 LYS 3 2HD LYS 3 -0.992 -1.441 -7.385 16 HD3 LYS 3 3HD LYS 3 0.038 -2.089 -6.107 17 HE2 LYS 3 2HE LYS 3 -0.604 -3.921 -7.474 18 HE3 LYS 3 3HE LYS 3 -1.530 -4.048 -5.979 19 HZ1 LYS 3 1HZ LYS 3 -3.144 -4.391 -7.543 20 HZ2 LYS 3 2HZ LYS 3 -2.447 -3.348 -8.678 21 HZ3 LYS 3 3HZ LYS 3 -3.278 -2.716 -7.347 22 H LYS 4 H LYS 4 -1.384 2.481 -5.927 23 HA LYS 4 HA LYS 4 -3.592 4.269 -6.632 24 HB2 LYS 4 2HB LYS 4 -1.237 4.941 -4.915 25 HB3 LYS 4 3HB LYS 4 -1.889 6.173 -5.988 26 HG2 LYS 4 2HG LYS 4 -3.774 6.434 -4.771 27 HG3 LYS 4 3HG LYS 4 -3.837 4.735 -4.298 28 HD2 LYS 4 2HD LYS 4 -2.324 5.039 -2.552 29 HD3 LYS 4 3HD LYS 4 -1.700 6.545 -3.229 30 HE2 LYS 4 2HE LYS 4 -3.089 7.653 -1.895 31 HE3 LYS 4 3HE LYS 4 -4.438 6.969 -2.801 32 HZ1 LYS 4 1HZ LYS 4 -4.277 6.624 -0.249 33 HZ2 LYS 4 2HZ LYS 4 -3.197 5.389 -0.657 34 HZ3 LYS 4 3HZ LYS 4 -4.785 5.348 -1.237 35 HA PRO 5 HA PRO 5 -0.695 3.562 -10.159 36 HB2 PRO 5 2HB PRO 5 -2.665 3.323 -12.012 37 HB3 PRO 5 3HB PRO 5 -2.096 1.965 -11.034 38 HG2 PRO 5 2HG PRO 5 -4.513 3.691 -10.656 39 HG3 PRO 5 3HG PRO 5 -4.359 1.931 -10.498 40 HD2 PRO 5 2HD PRO 5 -4.376 3.590 -8.358 41 HD3 PRO 5 3HD PRO 5 -3.453 2.074 -8.384 42 H VAL 6 H VAL 6 -3.537 5.630 -9.821 43 HA VAL 6 HA VAL 6 -2.066 7.838 -11.004 44 HB VAL 6 HB VAL 6 -4.715 6.935 -12.144 45 HG11 VAL 6 1HG1 VAL 6 -3.581 8.971 -13.708 46 HG12 VAL 6 2HG1 VAL 6 -5.041 9.055 -12.720 47 HG13 VAL 6 3HG1 VAL 6 -3.484 9.524 -12.036 48 HG21 VAL 6 1HG2 VAL 6 -1.928 6.992 -13.286 49 HG22 VAL 6 2HG2 VAL 6 -2.961 5.585 -13.035 50 HG23 VAL 6 3HG2 VAL 6 -3.381 6.779 -14.262 51 HA PRO 7 HA PRO 7 -4.267 9.632 -7.558 52 HB2 PRO 7 2HB PRO 7 -3.096 12.074 -7.744 53 HB3 PRO 7 3HB PRO 7 -2.288 10.674 -7.030 54 HG2 PRO 7 2HG PRO 7 -2.009 11.824 -9.780 55 HG3 PRO 7 3HG PRO 7 -0.749 11.231 -8.681 56 HD2 PRO 7 2HD PRO 7 -1.694 9.755 -10.745 57 HD3 PRO 7 3HD PRO 7 -1.134 9.025 -9.227 58 H ILE 8 H ILE 8 -5.645 11.549 -7.224 59 HA ILE 8 HA ILE 8 -6.974 12.335 -9.731 60 HB ILE 8 HB ILE 8 -8.989 12.744 -8.368 61 HG12 ILE 8 2HG1 ILE 8 -8.824 11.502 -6.037 62 HG13 ILE 8 3HG1 ILE 8 -7.123 11.935 -6.178 63 HG21 ILE 8 1HG2 ILE 8 -7.761 10.180 -8.892 64 HG22 ILE 8 2HG2 ILE 8 -8.888 10.097 -7.540 65 HG23 ILE 8 3HG2 ILE 8 -9.434 10.693 -9.107 66 HD11 ILE 8 1HD1 ILE 8 -8.891 14.163 -6.752 67 HD12 ILE 8 2HD1 ILE 8 -9.117 13.502 -5.132 68 HD13 ILE 8 3HD1 ILE 8 -7.522 14.052 -5.645 69 H ILE 9 H ILE 9 -7.540 14.472 -10.080 70 HA ILE 9 HA ILE 9 -6.546 16.436 -8.128 71 HB ILE 9 HB ILE 9 -5.535 17.776 -9.791 72 HG12 ILE 9 2HG1 ILE 9 -5.620 16.585 -12.235 73 HG13 ILE 9 3HG1 ILE 9 -7.216 16.175 -11.616 74 HG21 ILE 9 1HG2 ILE 9 -3.827 16.316 -10.735 75 HG22 ILE 9 2HG2 ILE 9 -4.195 15.860 -9.072 76 HG23 ILE 9 3HG2 ILE 9 -4.838 14.908 -10.410 77 HD11 ILE 9 1HD1 ILE 9 -7.461 18.652 -11.090 78 HD12 ILE 9 2HD1 ILE 9 -6.045 18.884 -12.116 79 HD13 ILE 9 3HD1 ILE 9 -7.512 18.170 -12.785 80 H ALA 10 H ALA 10 -7.570 18.498 -8.196 81 HA ALA 10 HA ALA 10 -10.300 18.363 -9.265 82 HB1 ALA 10 1HB ALA 10 -10.813 20.155 -7.663 83 HB2 ALA 10 2HB ALA 10 -10.149 18.725 -6.872 84 HB3 ALA 10 3HB ALA 10 -9.131 20.142 -7.129 85 H CYS 11 H CYS 11 -11.029 19.751 -10.771 86 HA CYS 11 HA CYS 11 -9.097 21.533 -12.011 87 HB2 CYS 11 2HB CYS 11 -11.286 19.982 -12.926 88 HB3 CYS 11 3HB CYS 11 -11.684 21.668 -13.242 89 H ASN 12 H ASN 12 -9.641 23.740 -12.571 90 HA ASN 12 HA ASN 12 -11.565 24.977 -10.717 91 HB2 ASN 12 2HB ASN 12 -9.179 25.280 -9.991 92 HB3 ASN 12 3HB ASN 12 -8.893 26.165 -11.486 93 HD21 ASN 12 1HD2 ASN 12 -8.562 28.177 -10.792 94 HD22 ASN 12 2HD2 ASN 12 -9.675 29.094 -9.840 95 H ARG 13 H ARG 13 -12.821 26.597 -11.522 96 HA ARG 13 HA ARG 13 -12.876 26.883 -14.400 97 HB2 ARG 13 2HB ARG 13 -14.929 28.223 -13.965 98 HB3 ARG 13 3HB ARG 13 -14.988 26.606 -13.276 99 HG2 ARG 13 2HG ARG 13 -13.959 28.671 -11.467 100 HG3 ARG 13 3HG ARG 13 -15.643 28.875 -11.953 101 HD2 ARG 13 2HD ARG 13 -16.271 27.270 -10.554 102 HD3 ARG 13 3HD ARG 13 -15.181 26.128 -11.338 103 HE ARG 13 HE ARG 13 -13.684 26.421 -9.622 104 HH11 ARG 13 1HH1 ARG 13 -16.129 28.895 -9.469 105 HH12 ARG 13 2HH1 ARG 13 -15.627 29.477 -7.916 106 HH21 ARG 13 1HH2 ARG 13 -13.014 27.179 -7.577 107 HH22 ARG 13 2HH2 ARG 13 -13.855 28.501 -6.841 108 H ARG 14 H ARG 14 -10.554 27.926 -13.768 109 HA ARG 14 HA ARG 14 -10.945 30.784 -14.212 110 HB2 ARG 14 2HB ARG 14 -9.050 29.715 -12.112 111 HB3 ARG 14 3HB ARG 14 -9.256 31.403 -12.562 112 HG2 ARG 14 2HG ARG 14 -11.421 29.681 -11.375 113 HG3 ARG 14 3HG ARG 14 -10.392 30.781 -10.455 114 HD2 ARG 14 2HD ARG 14 -11.989 31.738 -12.806 115 HD3 ARG 14 3HD ARG 14 -12.712 31.607 -11.204 116 HE ARG 14 HE ARG 14 -10.295 33.054 -11.051 117 HH11 ARG 14 1HH1 ARG 14 -13.573 33.349 -12.186 118 HH12 ARG 14 2HH1 ARG 14 -13.624 35.070 -11.992 119 HH21 ARG 14 1HH2 ARG 14 -10.349 35.319 -10.792 120 HH22 ARG 14 2HH2 ARG 14 -11.789 36.190 -11.200 121 H THR 15 H THR 15 -8.149 31.390 -13.941 122 HA THR 15 HA THR 15 -7.226 31.013 -16.500 123 HB THR 15 HB THR 15 -6.162 32.633 -15.081 124 HG1 THR 15 HG1 THR 15 -4.048 32.196 -15.645 125 HG21 THR 15 1HG2 THR 15 -5.742 32.182 -12.941 126 HG22 THR 15 2HG2 THR 15 -4.447 31.094 -13.443 127 HG23 THR 15 3HG2 THR 15 -6.081 30.473 -13.210 128 H GLY 16 H GLY 16 -7.203 29.040 -17.436 129 HA2 GLY 16 2HA GLY 16 -7.033 26.602 -17.128 130 HA3 GLY 16 3HA GLY 16 -5.547 27.232 -17.823 131 H LYS 17 H LYS 17 -7.098 26.350 -14.770 132 HA LYS 17 HA LYS 17 -4.492 25.449 -13.787 133 HB2 LYS 17 2HB LYS 17 -4.353 27.152 -12.344 134 HB3 LYS 17 3HB LYS 17 -5.960 27.721 -12.777 135 HG2 LYS 17 2HG LYS 17 -6.982 26.319 -11.147 136 HG3 LYS 17 3HG LYS 17 -5.460 25.481 -10.833 137 HD2 LYS 17 2HD LYS 17 -5.370 28.399 -10.484 138 HD3 LYS 17 3HD LYS 17 -6.416 27.543 -9.348 139 HE2 LYS 17 2HE LYS 17 -4.423 25.970 -9.000 140 HE3 LYS 17 3HE LYS 17 -3.466 27.212 -9.805 141 HZ1 LYS 17 1HZ LYS 17 -3.408 28.394 -7.948 142 HZ2 LYS 17 2HZ LYS 17 -4.153 27.111 -7.137 143 HZ3 LYS 17 3HZ LYS 17 -5.092 28.359 -7.787 144 H CYS 18 H CYS 18 -4.638 23.424 -13.104 145 HA CYS 18 HA CYS 18 -7.012 22.525 -11.677 146 HB2 CYS 18 2HB CYS 18 -6.011 21.187 -14.198 147 HB3 CYS 18 3HB CYS 18 -7.197 20.489 -13.100 148 H GLN 19 H GLN 19 -6.459 21.289 -10.002 149 HA GLN 19 HA GLN 19 -4.379 19.360 -10.069 150 HB2 GLN 19 2HB GLN 19 -2.648 20.357 -8.958 151 HB3 GLN 19 3HB GLN 19 -3.282 21.764 -9.803 152 HG2 GLN 19 2HG GLN 19 -4.736 21.968 -7.601 153 HG3 GLN 19 3HG GLN 19 -3.376 21.073 -6.924 154 HE21 GLN 19 1HE2 GLN 19 -3.885 23.544 -5.987 155 HE22 GLN 19 2HE2 GLN 19 -2.681 24.660 -6.525 156 H ARG 20 H ARG 20 -3.959 18.471 -7.806 157 HA ARG 20 HA ARG 20 -6.533 18.173 -6.505 158 HB2 ARG 20 2HB ARG 20 -5.653 16.263 -5.473 159 HB3 ARG 20 3HB ARG 20 -4.894 16.275 -7.059 160 HG2 ARG 20 2HG ARG 20 -3.072 17.666 -5.634 161 HG3 ARG 20 3HG ARG 20 -3.708 16.586 -4.391 162 HD2 ARG 20 2HD ARG 20 -3.327 15.057 -6.743 163 HD3 ARG 20 3HD ARG 20 -1.868 16.015 -6.492 164 HE ARG 20 HE ARG 20 -2.756 14.726 -4.100 165 HH11 ARG 20 1HH1 ARG 20 -0.991 14.263 -7.065 166 HH12 ARG 20 2HH1 ARG 20 -0.025 12.968 -6.440 167 HH21 ARG 20 1HH2 ARG 20 -1.490 13.022 -3.266 168 HH22 ARG 20 2HH2 ARG 20 -0.310 12.263 -4.279 169 H ALA 21 H ALA 21 -6.410 17.954 -4.007 170 HA ALA 21 HA ALA 21 -4.576 19.743 -2.689 171 HB1 ALA 21 1HB ALA 21 -5.807 21.581 -3.049 172 HB2 ALA 21 2HB ALA 21 -7.237 20.654 -3.506 173 HB3 ALA 21 3HB ALA 21 -6.866 20.920 -1.802 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -9.515 1.321 0.452 2 HA2 GLY 1 2HA GLY 1 -9.182 1.177 -2.445 3 HA3 GLY 1 3HA GLY 1 -8.391 2.516 -1.626 4 H SER 2 H SER 2 -6.774 0.926 -2.989 5 HA SER 2 HA SER 2 -5.339 -0.519 -0.881 6 HB2 SER 2 2HB SER 2 -6.227 -1.618 -3.526 7 HB3 SER 2 3HB SER 2 -4.725 -2.195 -2.804 8 HG SER 2 HG SER 2 -7.246 -2.857 -2.188 9 H LYS 3 H LYS 3 -4.858 -0.087 -4.380 10 HA LYS 3 HA LYS 3 -2.218 1.060 -3.794 11 HB2 LYS 3 2HB LYS 3 -1.638 0.468 -6.104 12 HB3 LYS 3 3HB LYS 3 -2.194 -0.936 -5.202 13 HG2 LYS 3 2HG LYS 3 -4.453 0.225 -6.451 14 HG3 LYS 3 3HG LYS 3 -3.168 0.104 -7.656 15 HD2 LYS 3 2HD LYS 3 -4.048 -2.168 -5.878 16 HD3 LYS 3 3HD LYS 3 -4.636 -1.908 -7.522 17 HE2 LYS 3 2HE LYS 3 -2.453 -2.226 -8.430 18 HE3 LYS 3 3HE LYS 3 -1.721 -2.211 -6.826 19 HZ1 LYS 3 1HZ LYS 3 -1.994 -4.390 -6.730 20 HZ2 LYS 3 2HZ LYS 3 -2.720 -4.401 -8.258 21 HZ3 LYS 3 3HZ LYS 3 -3.671 -4.212 -6.872 22 H LYS 4 H LYS 4 -1.475 2.631 -5.600 23 HA LYS 4 HA LYS 4 -3.645 4.369 -6.503 24 HB2 LYS 4 2HB LYS 4 -1.446 5.148 -4.613 25 HB3 LYS 4 3HB LYS 4 -2.162 6.342 -5.689 26 HG2 LYS 4 2HG LYS 4 -3.980 4.678 -4.032 27 HG3 LYS 4 3HG LYS 4 -3.061 5.962 -3.244 28 HD2 LYS 4 2HD LYS 4 -4.076 7.633 -4.517 29 HD3 LYS 4 3HD LYS 4 -4.618 6.493 -5.751 30 HE2 LYS 4 2HE LYS 4 -5.865 5.542 -3.520 31 HE3 LYS 4 3HE LYS 4 -5.872 7.279 -3.220 32 HZ1 LYS 4 1HZ LYS 4 -7.512 5.797 -4.954 33 HZ2 LYS 4 2HZ LYS 4 -6.602 6.881 -5.879 34 HZ3 LYS 4 3HZ LYS 4 -7.566 7.453 -4.612 35 HA PRO 5 HA PRO 5 -0.381 3.752 -9.712 36 HB2 PRO 5 2HB PRO 5 -2.142 3.459 -11.758 37 HB3 PRO 5 3HB PRO 5 -1.638 2.116 -10.725 38 HG2 PRO 5 2HG PRO 5 -4.130 3.771 -10.600 39 HG3 PRO 5 3HG PRO 5 -3.942 2.016 -10.425 40 HD2 PRO 5 2HD PRO 5 -4.228 3.671 -8.300 41 HD3 PRO 5 3HD PRO 5 -3.263 2.182 -8.228 42 H VAL 6 H VAL 6 -3.239 5.789 -9.549 43 HA VAL 6 HA VAL 6 -1.730 7.995 -10.686 44 HB VAL 6 HB VAL 6 -4.336 7.086 -11.916 45 HG11 VAL 6 1HG1 VAL 6 -2.845 9.638 -12.010 46 HG12 VAL 6 2HG1 VAL 6 -3.490 9.038 -13.539 47 HG13 VAL 6 3HG1 VAL 6 -4.572 9.324 -12.176 48 HG21 VAL 6 1HG2 VAL 6 -1.499 7.103 -12.919 49 HG22 VAL 6 2HG2 VAL 6 -2.596 5.729 -12.775 50 HG23 VAL 6 3HG2 VAL 6 -2.893 6.971 -13.992 51 HA PRO 7 HA PRO 7 -4.053 9.796 -7.325 52 HB2 PRO 7 2HB PRO 7 -2.879 12.239 -7.477 53 HB3 PRO 7 3HB PRO 7 -2.095 10.842 -6.731 54 HG2 PRO 7 2HG PRO 7 -1.720 11.984 -9.472 55 HG3 PRO 7 3HG PRO 7 -0.499 11.397 -8.328 56 HD2 PRO 7 2HD PRO 7 -1.369 9.914 -10.420 57 HD3 PRO 7 3HD PRO 7 -0.862 9.189 -8.880 58 H ILE 8 H ILE 8 -5.486 11.657 -7.047 59 HA ILE 8 HA ILE 8 -6.699 12.469 -9.604 60 HB ILE 8 HB ILE 8 -8.780 12.838 -8.333 61 HG12 ILE 8 2HG1 ILE 8 -8.710 11.571 -6.010 62 HG13 ILE 8 3HG1 ILE 8 -7.010 12.023 -6.067 63 HG21 ILE 8 1HG2 ILE 8 -9.400 10.547 -8.145 64 HG22 ILE 8 2HG2 ILE 8 -8.224 10.666 -9.453 65 HG23 ILE 8 3HG2 ILE 8 -7.729 10.054 -7.875 66 HD11 ILE 8 1HD1 ILE 8 -7.458 14.130 -5.529 67 HD12 ILE 8 2HD1 ILE 8 -8.776 14.237 -6.696 68 HD13 ILE 8 3HD1 ILE 8 -9.068 13.555 -5.096 69 H ILE 9 H ILE 9 -7.276 14.603 -9.952 70 HA ILE 9 HA ILE 9 -6.395 16.554 -7.933 71 HB ILE 9 HB ILE 9 -5.325 17.926 -9.532 72 HG12 ILE 9 2HG1 ILE 9 -5.285 16.766 -11.991 73 HG13 ILE 9 3HG1 ILE 9 -6.902 16.329 -11.451 74 HG21 ILE 9 1HG2 ILE 9 -3.992 16.024 -8.777 75 HG22 ILE 9 2HG2 ILE 9 -4.570 15.072 -10.143 76 HG23 ILE 9 3HG2 ILE 9 -3.562 16.492 -10.422 77 HD11 ILE 9 1HD1 ILE 9 -7.166 18.336 -12.609 78 HD12 ILE 9 2HD1 ILE 9 -7.201 18.796 -10.907 79 HD13 ILE 9 3HD1 ILE 9 -5.742 19.059 -11.861 80 H ALA 10 H ALA 10 -7.440 18.604 -8.022 81 HA ALA 10 HA ALA 10 -10.116 18.451 -9.216 82 HB1 ALA 10 1HB ALA 10 -9.066 20.216 -7.007 83 HB2 ALA 10 2HB ALA 10 -10.722 20.218 -7.616 84 HB3 ALA 10 3HB ALA 10 -10.079 18.784 -6.815 85 H CYS 11 H CYS 11 -10.792 19.851 -10.737 86 HA CYS 11 HA CYS 11 -8.828 21.670 -11.865 87 HB2 CYS 11 2HB CYS 11 -10.953 20.106 -12.899 88 HB3 CYS 11 3HB CYS 11 -11.359 21.791 -13.210 89 H ASN 12 H ASN 12 -9.373 23.878 -12.422 90 HA ASN 12 HA ASN 12 -11.394 25.069 -10.643 91 HB2 ASN 12 2HB ASN 12 -9.049 25.389 -9.804 92 HB3 ASN 12 3HB ASN 12 -8.704 26.297 -11.274 93 HD21 ASN 12 1HD2 ASN 12 -8.429 28.303 -10.540 94 HD22 ASN 12 2HD2 ASN 12 -9.595 29.196 -9.629 95 H ARG 13 H ARG 13 -12.631 26.685 -11.485 96 HA ARG 13 HA ARG 13 -12.558 27.007 -14.358 97 HB2 ARG 13 2HB ARG 13 -14.455 27.915 -12.203 98 HB3 ARG 13 3HB ARG 13 -14.612 28.465 -13.866 99 HG2 ARG 13 2HG ARG 13 -15.967 26.687 -14.051 100 HG3 ARG 13 3HG ARG 13 -14.453 25.804 -14.256 101 HD2 ARG 13 2HD ARG 13 -14.419 25.312 -11.858 102 HD3 ARG 13 3HD ARG 13 -15.932 26.195 -11.657 103 HE ARG 13 HE ARG 13 -16.573 24.345 -13.505 104 HH11 ARG 13 1HH1 ARG 13 -15.003 24.136 -10.405 105 HH12 ARG 13 2HH1 ARG 13 -15.585 22.539 -10.072 106 HH21 ARG 13 1HH2 ARG 13 -17.346 22.242 -13.078 107 HH22 ARG 13 2HH2 ARG 13 -16.917 21.462 -11.593 108 H ARG 14 H ARG 14 -10.279 28.068 -13.606 109 HA ARG 14 HA ARG 14 -10.684 30.928 -14.031 110 HB2 ARG 14 2HB ARG 14 -8.874 29.851 -11.862 111 HB3 ARG 14 3HB ARG 14 -9.077 31.542 -12.299 112 HG2 ARG 14 2HG ARG 14 -11.272 29.782 -11.230 113 HG3 ARG 14 3HG ARG 14 -10.302 30.888 -10.255 114 HD2 ARG 14 2HD ARG 14 -11.340 32.265 -12.545 115 HD3 ARG 14 3HD ARG 14 -12.653 31.453 -11.694 116 HE ARG 14 HE ARG 14 -11.122 33.705 -10.775 117 HH11 ARG 14 1HH1 ARG 14 -13.079 30.990 -9.818 118 HH12 ARG 14 2HH1 ARG 14 -13.540 31.690 -8.301 119 HH21 ARG 14 1HH2 ARG 14 -11.721 34.638 -8.782 120 HH22 ARG 14 2HH2 ARG 14 -12.768 33.765 -7.713 121 H THR 15 H THR 15 -7.910 31.561 -13.627 122 HA THR 15 HA THR 15 -6.869 31.229 -16.146 123 HB THR 15 HB THR 15 -5.889 32.842 -14.661 124 HG1 THR 15 HG1 THR 15 -3.597 32.080 -14.822 125 HG21 THR 15 1HG2 THR 15 -5.562 32.368 -12.510 126 HG22 THR 15 2HG2 THR 15 -4.232 31.303 -12.965 127 HG23 THR 15 3HG2 THR 15 -5.866 30.659 -12.815 128 H GLY 16 H GLY 16 -6.780 29.268 -17.104 129 HA2 GLY 16 2HA GLY 16 -6.594 26.828 -16.819 130 HA3 GLY 16 3HA GLY 16 -5.086 27.485 -17.439 131 H LYS 17 H LYS 17 -6.763 26.545 -14.470 132 HA LYS 17 HA LYS 17 -4.194 25.662 -13.382 133 HB2 LYS 17 2HB LYS 17 -4.141 27.346 -11.912 134 HB3 LYS 17 3HB LYS 17 -5.733 27.904 -12.411 135 HG2 LYS 17 2HG LYS 17 -6.811 26.469 -10.847 136 HG3 LYS 17 3HG LYS 17 -5.296 25.644 -10.474 137 HD2 LYS 17 2HD LYS 17 -4.913 28.428 -10.052 138 HD3 LYS 17 3HD LYS 17 -6.410 27.953 -9.246 139 HE2 LYS 17 2HE LYS 17 -4.836 27.546 -7.607 140 HE3 LYS 17 3HE LYS 17 -4.989 25.961 -8.365 141 HZ1 LYS 17 1HZ LYS 17 -2.661 27.192 -7.941 142 HZ2 LYS 17 2HZ LYS 17 -2.982 27.703 -9.521 143 HZ3 LYS 17 3HZ LYS 17 -2.908 26.050 -9.166 144 H CYS 18 H CYS 18 -4.347 23.626 -12.730 145 HA CYS 18 HA CYS 18 -6.772 22.682 -11.424 146 HB2 CYS 18 2HB CYS 18 -5.642 21.388 -13.914 147 HB3 CYS 18 3HB CYS 18 -6.868 20.663 -12.879 148 H GLN 19 H GLN 19 -6.281 21.431 -9.741 149 HA GLN 19 HA GLN 19 -4.177 19.527 -9.737 150 HB2 GLN 19 2HB GLN 19 -2.511 20.529 -8.536 151 HB3 GLN 19 3HB GLN 19 -3.122 21.939 -9.391 152 HG2 GLN 19 2HG GLN 19 -4.677 22.098 -7.255 153 HG3 GLN 19 3HG GLN 19 -3.339 21.210 -6.529 154 HE21 GLN 19 1HE2 GLN 19 -1.214 22.159 -6.662 155 HE22 GLN 19 2HE2 GLN 19 -1.048 23.877 -6.713 156 H ARG 20 H ARG 20 -3.850 18.614 -7.468 157 HA ARG 20 HA ARG 20 -6.477 18.270 -6.290 158 HB2 ARG 20 2HB ARG 20 -5.621 16.356 -5.242 159 HB3 ARG 20 3HB ARG 20 -4.791 16.398 -6.791 160 HG2 ARG 20 2HG ARG 20 -3.067 17.803 -5.241 161 HG3 ARG 20 3HG ARG 20 -3.730 16.657 -4.074 162 HD2 ARG 20 2HD ARG 20 -3.040 14.799 -5.366 163 HD3 ARG 20 3HD ARG 20 -2.688 15.813 -6.765 164 HE ARG 20 HE ARG 20 -0.952 15.257 -4.574 165 HH11 ARG 20 1HH1 ARG 20 -1.811 17.682 -6.919 166 HH12 ARG 20 2HH1 ARG 20 -0.252 18.438 -6.902 167 HH21 ARG 20 1HH2 ARG 20 1.104 16.243 -4.542 168 HH22 ARG 20 2HH2 ARG 20 1.406 17.617 -5.550 169 H ALA 21 H ALA 21 -6.466 18.021 -3.792 170 HA ALA 21 HA ALA 21 -6.413 19.068 -1.772 171 HB1 ALA 21 1HB ALA 21 -3.721 20.199 -2.407 172 HB2 ALA 21 2HB ALA 21 -4.338 19.553 -0.885 173 HB3 ALA 21 3HB ALA 21 -3.922 18.458 -2.204 Start of MODEL 11 1 H1 GLY 1 H GLY 1 4.635 -0.431 -9.044 2 HA2 GLY 1 2HA GLY 1 4.954 -2.584 -8.084 3 HA3 GLY 1 3HA GLY 1 4.227 -1.637 -6.795 4 H SER 2 H SER 2 1.887 -1.757 -6.541 5 HA SER 2 HA SER 2 0.820 -4.341 -7.477 6 HB2 SER 2 2HB SER 2 -0.570 -3.573 -5.141 7 HB3 SER 2 3HB SER 2 0.569 -4.907 -5.325 8 HG SER 2 HG SER 2 1.408 -3.647 -3.742 9 H LYS 3 H LYS 3 -0.440 -1.365 -5.966 10 HA LYS 3 HA LYS 3 -2.382 -1.161 -8.164 11 HB2 LYS 3 2HB LYS 3 -4.180 -0.698 -6.664 12 HB3 LYS 3 3HB LYS 3 -3.408 -2.175 -6.103 13 HG2 LYS 3 2HG LYS 3 -2.054 -0.298 -4.682 14 HG3 LYS 3 3HG LYS 3 -3.655 0.436 -4.802 15 HD2 LYS 3 2HD LYS 3 -3.900 -0.826 -2.897 16 HD3 LYS 3 3HD LYS 3 -4.464 -1.965 -4.121 17 HE2 LYS 3 2HE LYS 3 -2.804 -3.388 -3.684 18 HE3 LYS 3 3HE LYS 3 -1.594 -2.108 -3.753 19 HZ1 LYS 3 1HZ LYS 3 -1.518 -2.958 -1.582 20 HZ2 LYS 3 2HZ LYS 3 -3.202 -2.969 -1.421 21 HZ3 LYS 3 3HZ LYS 3 -2.365 -1.499 -1.447 22 H LYS 4 H LYS 4 -2.710 0.853 -8.940 23 HA LYS 4 HA LYS 4 -1.576 3.114 -7.437 24 HB2 LYS 4 2HB LYS 4 -0.971 2.206 -10.196 25 HB3 LYS 4 3HB LYS 4 -1.142 3.940 -9.959 26 HG2 LYS 4 2HG LYS 4 0.519 3.641 -8.029 27 HG3 LYS 4 3HG LYS 4 0.861 2.068 -8.753 28 HD2 LYS 4 2HD LYS 4 0.892 3.944 -10.853 29 HD3 LYS 4 3HD LYS 4 1.806 4.662 -9.525 30 HE2 LYS 4 2HE LYS 4 2.330 1.813 -10.158 31 HE3 LYS 4 3HE LYS 4 2.906 3.015 -11.312 32 HZ1 LYS 4 1HZ LYS 4 3.835 2.431 -8.632 33 HZ2 LYS 4 2HZ LYS 4 3.720 4.077 -9.002 34 HZ3 LYS 4 3HZ LYS 4 4.677 3.061 -9.957 35 HA PRO 5 HA PRO 5 -5.959 3.999 -8.596 36 HB2 PRO 5 2HB PRO 5 -6.574 5.182 -6.231 37 HB3 PRO 5 3HB PRO 5 -6.667 3.435 -6.485 38 HG2 PRO 5 2HG PRO 5 -4.505 5.047 -5.186 39 HG3 PRO 5 3HG PRO 5 -5.211 3.504 -4.673 40 HD2 PRO 5 2HD PRO 5 -2.836 3.661 -5.963 41 HD3 PRO 5 3HD PRO 5 -3.939 2.283 -6.157 42 H VAL 6 H VAL 6 -7.107 6.266 -7.965 43 HA VAL 6 HA VAL 6 -5.241 8.488 -8.107 44 HB VAL 6 HB VAL 6 -7.226 7.971 -10.325 45 HG11 VAL 6 1HG1 VAL 6 -7.296 10.213 -10.409 46 HG12 VAL 6 2HG1 VAL 6 -5.854 10.394 -9.408 47 HG13 VAL 6 3HG1 VAL 6 -5.696 10.069 -11.135 48 HG21 VAL 6 1HG2 VAL 6 -4.212 7.986 -10.285 49 HG22 VAL 6 2HG2 VAL 6 -5.266 6.611 -10.611 50 HG23 VAL 6 3HG2 VAL 6 -5.188 7.953 -11.753 51 HA PRO 7 HA PRO 7 -8.607 9.967 -5.571 52 HB2 PRO 7 2HB PRO 7 -7.410 12.307 -4.890 53 HB3 PRO 7 3HB PRO 7 -6.987 10.760 -4.147 54 HG2 PRO 7 2HG PRO 7 -5.600 12.249 -6.343 55 HG3 PRO 7 3HG PRO 7 -4.902 11.410 -4.945 56 HD2 PRO 7 2HD PRO 7 -4.965 10.314 -7.421 57 HD3 PRO 7 3HD PRO 7 -5.080 9.339 -5.941 58 H ILE 8 H ILE 8 -9.527 12.381 -5.360 59 HA ILE 8 HA ILE 8 -10.219 13.170 -8.102 60 HB ILE 8 HB ILE 8 -12.176 14.289 -7.104 61 HG12 ILE 8 2HG1 ILE 8 -12.613 13.435 -4.640 62 HG13 ILE 8 3HG1 ILE 8 -10.855 13.372 -4.583 63 HG21 ILE 8 1HG2 ILE 8 -12.080 11.458 -6.108 64 HG22 ILE 8 2HG2 ILE 8 -13.447 12.344 -6.781 65 HG23 ILE 8 3HG2 ILE 8 -12.119 11.846 -7.828 66 HD11 ILE 8 1HD1 ILE 8 -11.836 15.870 -5.677 67 HD12 ILE 8 2HD1 ILE 8 -12.425 15.559 -4.043 68 HD13 ILE 8 3HD1 ILE 8 -10.692 15.574 -4.369 69 H ILE 9 H ILE 9 -10.142 15.308 -8.769 70 HA ILE 9 HA ILE 9 -8.840 17.211 -6.941 71 HB ILE 9 HB ILE 9 -7.342 17.981 -8.599 72 HG12 ILE 9 2HG1 ILE 9 -7.513 16.505 -10.877 73 HG13 ILE 9 3HG1 ILE 9 -9.213 16.620 -10.434 74 HG21 ILE 9 1HG2 ILE 9 -6.020 16.003 -9.131 75 HG22 ILE 9 2HG2 ILE 9 -6.657 15.913 -7.489 76 HG23 ILE 9 3HG2 ILE 9 -7.406 14.971 -8.778 77 HD11 ILE 9 1HD1 ILE 9 -7.297 18.826 -11.085 78 HD12 ILE 9 2HD1 ILE 9 -8.834 18.429 -11.853 79 HD13 ILE 9 3HD1 ILE 9 -8.812 19.126 -10.234 80 H ALA 10 H ALA 10 -9.242 19.436 -7.384 81 HA ALA 10 HA ALA 10 -11.785 19.861 -8.785 82 HB1 ALA 10 1HB ALA 10 -10.382 21.568 -6.731 83 HB2 ALA 10 2HB ALA 10 -11.934 21.942 -7.482 84 HB3 ALA 10 3HB ALA 10 -11.773 20.520 -6.452 85 H CYS 11 H CYS 11 -11.951 21.155 -10.525 86 HA CYS 11 HA CYS 11 -9.491 22.168 -11.693 87 HB2 CYS 11 2HB CYS 11 -11.924 21.125 -12.707 88 HB3 CYS 11 3HB CYS 11 -11.806 22.791 -13.266 89 H ASN 12 H ASN 12 -9.344 24.333 -12.569 90 HA ASN 12 HA ASN 12 -11.023 26.288 -11.145 91 HB2 ASN 12 2HB ASN 12 -8.730 26.063 -10.146 92 HB3 ASN 12 3HB ASN 12 -8.065 26.610 -11.683 93 HD21 ASN 12 1HD2 ASN 12 -7.257 28.544 -11.185 94 HD22 ASN 12 2HD2 ASN 12 -8.160 29.852 -10.507 95 H ARG 13 H ARG 13 -11.693 28.046 -12.290 96 HA ARG 13 HA ARG 13 -11.391 27.908 -15.164 97 HB2 ARG 13 2HB ARG 13 -13.083 29.529 -13.289 98 HB3 ARG 13 3HB ARG 13 -12.928 30.003 -14.976 99 HG2 ARG 13 2HG ARG 13 -14.392 28.468 -15.616 100 HG3 ARG 13 3HG ARG 13 -13.524 27.195 -14.755 101 HD2 ARG 13 2HD ARG 13 -14.997 29.014 -13.005 102 HD3 ARG 13 3HD ARG 13 -16.024 28.127 -14.130 103 HE ARG 13 HE ARG 13 -14.635 27.068 -11.865 104 HH11 ARG 13 1HH1 ARG 13 -15.873 26.309 -15.029 105 HH12 ARG 13 2HH1 ARG 13 -16.045 24.617 -14.698 106 HH21 ARG 13 1HH2 ARG 13 -14.858 24.843 -11.417 107 HH22 ARG 13 2HH2 ARG 13 -15.469 23.784 -12.643 108 H ARG 14 H ARG 14 -8.943 28.388 -14.353 109 HA ARG 14 HA ARG 14 -8.481 31.152 -15.173 110 HB2 ARG 14 2HB ARG 14 -7.168 29.945 -12.731 111 HB3 ARG 14 3HB ARG 14 -6.854 31.542 -13.396 112 HG2 ARG 14 2HG ARG 14 -9.514 30.641 -12.315 113 HG3 ARG 14 3HG ARG 14 -8.315 31.558 -11.402 114 HD2 ARG 14 2HD ARG 14 -8.813 32.812 -13.940 115 HD3 ARG 14 3HD ARG 14 -10.330 32.557 -13.077 116 HE ARG 14 HE ARG 14 -8.253 33.709 -11.457 117 HH11 ARG 14 1HH1 ARG 14 -10.839 34.363 -13.694 118 HH12 ARG 14 2HH1 ARG 14 -11.082 35.987 -13.141 119 HH21 ARG 14 1HH2 ARG 14 -8.563 35.845 -10.720 120 HH22 ARG 14 2HH2 ARG 14 -9.786 36.829 -11.450 121 H THR 15 H THR 15 -5.666 31.037 -14.606 122 HA THR 15 HA THR 15 -4.642 30.059 -16.958 123 HB THR 15 HB THR 15 -3.314 31.534 -15.605 124 HG1 THR 15 HG1 THR 15 -1.333 30.152 -15.472 125 HG21 THR 15 1HG2 THR 15 -4.017 29.732 -13.505 126 HG22 THR 15 2HG2 THR 15 -3.226 31.304 -13.392 127 HG23 THR 15 3HG2 THR 15 -2.260 29.842 -13.594 128 H GLY 16 H GLY 16 -5.076 28.033 -17.649 129 HA2 GLY 16 2HA GLY 16 -5.620 25.708 -17.041 130 HA3 GLY 16 3HA GLY 16 -3.958 25.818 -17.602 131 H LYS 17 H LYS 17 -5.979 25.829 -14.700 132 HA LYS 17 HA LYS 17 -3.831 24.433 -13.284 133 HB2 LYS 17 2HB LYS 17 -3.364 26.232 -12.042 134 HB3 LYS 17 3HB LYS 17 -4.700 27.134 -12.746 135 HG2 LYS 17 2HG LYS 17 -6.222 26.304 -11.115 136 HG3 LYS 17 3HG LYS 17 -5.029 25.153 -10.506 137 HD2 LYS 17 2HD LYS 17 -3.626 26.996 -9.742 138 HD3 LYS 17 3HD LYS 17 -4.788 28.160 -10.384 139 HE2 LYS 17 2HE LYS 17 -5.623 28.132 -8.299 140 HE3 LYS 17 3HE LYS 17 -6.388 26.630 -8.813 141 HZ1 LYS 17 1HZ LYS 17 -3.697 26.289 -7.853 142 HZ2 LYS 17 2HZ LYS 17 -5.102 25.433 -7.460 143 HZ3 LYS 17 3HZ LYS 17 -4.755 26.894 -6.679 144 H CYS 18 H CYS 18 -4.599 22.641 -12.395 145 HA CYS 18 HA CYS 18 -7.254 22.617 -11.200 146 HB2 CYS 18 2HB CYS 18 -6.426 20.704 -13.392 147 HB3 CYS 18 3HB CYS 18 -7.860 20.514 -12.389 148 H GLN 19 H GLN 19 -7.231 21.542 -9.335 149 HA GLN 19 HA GLN 19 -5.769 19.148 -8.899 150 HB2 GLN 19 2HB GLN 19 -3.954 19.814 -7.674 151 HB3 GLN 19 3HB GLN 19 -4.075 21.181 -8.773 152 HG2 GLN 19 2HG GLN 19 -5.639 22.100 -6.834 153 HG3 GLN 19 3HG GLN 19 -4.633 21.018 -5.872 154 HE21 GLN 19 1HE2 GLN 19 -4.302 23.383 -5.054 155 HE22 GLN 19 2HE2 GLN 19 -2.899 24.170 -5.686 156 H ARG 20 H ARG 20 -5.836 18.523 -6.514 157 HA ARG 20 HA ARG 20 -8.506 19.101 -5.544 158 HB2 ARG 20 2HB ARG 20 -8.293 17.202 -4.189 159 HB3 ARG 20 3HB ARG 20 -7.408 16.782 -5.650 160 HG2 ARG 20 2HG ARG 20 -5.437 17.870 -4.132 161 HG3 ARG 20 3HG ARG 20 -6.459 17.123 -2.902 162 HD2 ARG 20 2HD ARG 20 -6.418 15.068 -4.489 163 HD3 ARG 20 3HD ARG 20 -4.998 15.851 -5.182 164 HE ARG 20 HE ARG 20 -5.176 14.521 -2.646 165 HH11 ARG 20 1HH1 ARG 20 -3.497 16.962 -4.473 166 HH12 ARG 20 2HH1 ARG 20 -2.048 16.858 -3.528 167 HH21 ARG 20 1HH2 ARG 20 -3.274 14.374 -1.395 168 HH22 ARG 20 2HH2 ARG 20 -1.922 15.385 -1.779 169 H ALA 21 H ALA 21 -8.691 19.225 -3.042 170 HA ALA 21 HA ALA 21 -7.683 21.682 -2.204 171 HB1 ALA 21 1HB ALA 21 -9.542 21.104 -1.016 172 HB2 ALA 21 2HB ALA 21 -9.053 19.417 -0.857 173 HB3 ALA 21 3HB ALA 21 -8.300 20.652 0.151 Start of MODEL 12 1 H1 GLY 1 H GLY 1 2.545 -0.401 0.250 2 HA2 GLY 1 2HA GLY 1 0.930 0.392 -1.953 3 HA3 GLY 1 3HA GLY 1 2.685 0.303 -1.935 4 H SER 2 H SER 2 -0.041 -0.917 -3.341 5 HA SER 2 HA SER 2 1.441 -3.246 -4.340 6 HB2 SER 2 2HB SER 2 -1.203 -4.084 -4.383 7 HB3 SER 2 3HB SER 2 0.029 -4.605 -3.233 8 HG SER 2 HG SER 2 -2.181 -3.186 -2.770 9 H LYS 3 H LYS 3 -1.575 -1.400 -4.802 10 HA LYS 3 HA LYS 3 -1.273 -1.724 -7.701 11 HB2 LYS 3 2HB LYS 3 -3.622 -0.779 -6.047 12 HB3 LYS 3 3HB LYS 3 -3.616 -0.891 -7.802 13 HG2 LYS 3 2HG LYS 3 -4.249 -3.003 -7.671 14 HG3 LYS 3 3HG LYS 3 -2.779 -3.395 -6.775 15 HD2 LYS 3 2HD LYS 3 -3.987 -2.570 -4.705 16 HD3 LYS 3 3HD LYS 3 -5.458 -2.561 -5.681 17 HE2 LYS 3 2HE LYS 3 -4.030 -5.052 -5.975 18 HE3 LYS 3 3HE LYS 3 -4.370 -4.715 -4.278 19 HZ1 LYS 3 1HZ LYS 3 -6.725 -4.192 -5.164 20 HZ2 LYS 3 2HZ LYS 3 -6.261 -5.805 -4.955 21 HZ3 LYS 3 3HZ LYS 3 -6.255 -5.118 -6.500 22 H LYS 4 H LYS 4 -2.087 0.247 -8.985 23 HA LYS 4 HA LYS 4 -0.853 2.668 -7.843 24 HB2 LYS 4 2HB LYS 4 -0.935 1.673 -10.692 25 HB3 LYS 4 3HB LYS 4 -0.451 3.308 -10.261 26 HG2 LYS 4 2HG LYS 4 0.895 0.816 -9.241 27 HG3 LYS 4 3HG LYS 4 1.445 1.756 -10.631 28 HD2 LYS 4 2HD LYS 4 1.270 3.726 -8.833 29 HD3 LYS 4 3HD LYS 4 1.577 2.378 -7.736 30 HE2 LYS 4 2HE LYS 4 3.455 1.842 -9.531 31 HE3 LYS 4 3HE LYS 4 3.320 3.575 -9.824 32 HZ1 LYS 4 1HZ LYS 4 4.944 3.402 -8.196 33 HZ2 LYS 4 2HZ LYS 4 4.130 2.184 -7.350 34 HZ3 LYS 4 3HZ LYS 4 3.557 3.775 -7.302 35 HA PRO 5 HA PRO 5 -5.322 3.640 -8.490 36 HB2 PRO 5 2HB PRO 5 -5.552 5.120 -6.226 37 HB3 PRO 5 3HB PRO 5 -5.743 3.363 -6.249 38 HG2 PRO 5 2HG PRO 5 -3.362 4.999 -5.466 39 HG3 PRO 5 3HG PRO 5 -4.043 3.565 -4.675 40 HD2 PRO 5 2HD PRO 5 -1.871 3.447 -6.288 41 HD3 PRO 5 3HD PRO 5 -3.039 2.116 -6.159 42 H VAL 6 H VAL 6 -6.272 6.039 -7.939 43 HA VAL 6 HA VAL 6 -4.365 8.112 -8.649 44 HB VAL 6 HB VAL 6 -6.716 7.472 -10.436 45 HG11 VAL 6 1HG1 VAL 6 -5.206 9.915 -9.995 46 HG12 VAL 6 2HG1 VAL 6 -5.165 9.388 -11.679 47 HG13 VAL 6 3HG1 VAL 6 -6.712 9.659 -10.876 48 HG21 VAL 6 1HG2 VAL 6 -4.948 5.973 -10.939 49 HG22 VAL 6 2HG2 VAL 6 -4.891 7.241 -12.163 50 HG23 VAL 6 3HG2 VAL 6 -3.739 7.251 -10.827 51 HA PRO 7 HA PRO 7 -7.190 10.063 -5.792 52 HB2 PRO 7 2HB PRO 7 -5.794 12.382 -5.590 53 HB3 PRO 7 3HB PRO 7 -5.322 10.900 -4.749 54 HG2 PRO 7 2HG PRO 7 -4.255 12.053 -7.297 55 HG3 PRO 7 3HG PRO 7 -3.372 11.327 -5.942 56 HD2 PRO 7 2HD PRO 7 -3.897 9.977 -8.229 57 HD3 PRO 7 3HD PRO 7 -3.806 9.176 -6.647 58 H ILE 8 H ILE 8 -8.423 12.107 -5.741 59 HA ILE 8 HA ILE 8 -9.144 12.924 -8.463 60 HB ILE 8 HB ILE 8 -11.217 13.799 -7.461 61 HG12 ILE 8 2HG1 ILE 8 -11.589 12.846 -5.026 62 HG13 ILE 8 3HG1 ILE 8 -9.834 12.955 -4.946 63 HG21 ILE 8 1HG2 ILE 8 -11.621 11.254 -6.357 64 HG22 ILE 8 2HG2 ILE 8 -11.969 11.782 -8.003 65 HG23 ILE 8 3HG2 ILE 8 -10.410 11.051 -7.622 66 HD11 ILE 8 1HD1 ILE 8 -11.616 14.962 -4.370 67 HD12 ILE 8 2HD1 ILE 8 -9.892 15.159 -4.682 68 HD13 ILE 8 3HD1 ILE 8 -11.055 15.371 -5.991 69 H ILE 9 H ILE 9 -9.307 15.082 -9.063 70 HA ILE 9 HA ILE 9 -8.219 17.055 -7.171 71 HB ILE 9 HB ILE 9 -6.806 18.031 -8.794 72 HG12 ILE 9 2HG1 ILE 9 -6.814 16.612 -11.117 73 HG13 ILE 9 3HG1 ILE 9 -8.518 16.540 -10.682 74 HG21 ILE 9 1HG2 ILE 9 -5.953 15.971 -7.735 75 HG22 ILE 9 2HG2 ILE 9 -6.527 15.047 -9.122 76 HG23 ILE 9 3HG2 ILE 9 -5.258 16.254 -9.331 77 HD11 ILE 9 1HD1 ILE 9 -8.288 18.418 -12.063 78 HD12 ILE 9 2HD1 ILE 9 -8.403 19.057 -10.423 79 HD13 ILE 9 3HD1 ILE 9 -6.835 18.961 -11.224 80 H ALA 10 H ALA 10 -8.849 19.239 -7.557 81 HA ALA 10 HA ALA 10 -11.421 19.433 -8.959 82 HB1 ALA 10 1HB ALA 10 -11.783 21.457 -7.599 83 HB2 ALA 10 2HB ALA 10 -11.506 20.018 -6.615 84 HB3 ALA 10 3HB ALA 10 -10.215 21.199 -6.834 85 H CYS 11 H CYS 11 -11.716 20.753 -10.661 86 HA CYS 11 HA CYS 11 -9.374 22.060 -11.779 87 HB2 CYS 11 2HB CYS 11 -11.655 20.780 -12.849 88 HB3 CYS 11 3HB CYS 11 -11.757 22.469 -13.335 89 H ASN 12 H ASN 12 -9.450 24.255 -12.581 90 HA ASN 12 HA ASN 12 -11.334 25.974 -11.109 91 HB2 ASN 12 2HB ASN 12 -9.029 25.963 -10.111 92 HB3 ASN 12 3HB ASN 12 -8.428 26.630 -11.626 93 HD21 ASN 12 1HD2 ASN 12 -7.835 28.623 -11.062 94 HD22 ASN 12 2HD2 ASN 12 -8.873 29.801 -10.343 95 H ARG 13 H ARG 13 -12.196 27.676 -12.206 96 HA ARG 13 HA ARG 13 -11.875 27.663 -15.080 97 HB2 ARG 13 2HB ARG 13 -13.693 29.380 -15.013 98 HB3 ARG 13 3HB ARG 13 -14.116 27.853 -14.251 99 HG2 ARG 13 2HG ARG 13 -13.968 28.757 -12.096 100 HG3 ARG 13 3HG ARG 13 -13.087 30.178 -12.662 101 HD2 ARG 13 2HD ARG 13 -15.007 31.270 -12.876 102 HD3 ARG 13 3HD ARG 13 -15.538 30.085 -14.068 103 HE ARG 13 HE ARG 13 -16.361 30.270 -11.319 104 HH11 ARG 13 1HH1 ARG 13 -16.031 28.176 -14.080 105 HH12 ARG 13 2HH1 ARG 13 -17.252 27.067 -13.549 106 HH21 ARG 13 1HH2 ARG 13 -17.970 28.818 -10.609 107 HH22 ARG 13 2HH2 ARG 13 -18.355 27.434 -11.575 108 H ARG 14 H ARG 14 -9.493 28.379 -14.244 109 HA ARG 14 HA ARG 14 -9.331 31.199 -14.980 110 HB2 ARG 14 2HB ARG 14 -7.901 30.071 -12.567 111 HB3 ARG 14 3HB ARG 14 -7.762 31.712 -13.183 112 HG2 ARG 14 2HG ARG 14 -10.312 30.496 -12.146 113 HG3 ARG 14 3HG ARG 14 -9.222 31.508 -11.197 114 HD2 ARG 14 2HD ARG 14 -10.297 32.480 -13.814 115 HD3 ARG 14 3HD ARG 14 -11.283 32.580 -12.355 116 HE ARG 14 HE ARG 14 -8.672 33.675 -11.980 117 HH11 ARG 14 1HH1 ARG 14 -11.847 34.334 -13.248 118 HH12 ARG 14 2HH1 ARG 14 -11.710 36.050 -13.054 119 HH21 ARG 14 1HH2 ARG 14 -8.480 35.933 -11.721 120 HH22 ARG 14 2HH2 ARG 14 -9.794 36.959 -12.187 121 H THR 15 H THR 15 -6.523 31.375 -14.401 122 HA THR 15 HA THR 15 -5.392 30.582 -16.774 123 HB THR 15 HB THR 15 -4.234 32.152 -15.372 124 HG1 THR 15 HG1 THR 15 -2.154 31.274 -15.538 125 HG21 THR 15 1HG2 THR 15 -4.144 31.868 -13.165 126 HG22 THR 15 2HG2 THR 15 -3.007 30.540 -13.401 127 HG23 THR 15 3HG2 THR 15 -4.739 30.217 -13.329 128 H GLY 16 H GLY 16 -5.600 28.543 -17.526 129 HA2 GLY 16 2HA GLY 16 -5.891 26.155 -16.990 130 HA3 GLY 16 3HA GLY 16 -4.249 26.461 -17.535 131 H LYS 17 H LYS 17 -6.271 26.166 -14.650 132 HA LYS 17 HA LYS 17 -3.991 24.970 -13.258 133 HB2 LYS 17 2HB LYS 17 -3.728 26.773 -11.961 134 HB3 LYS 17 3HB LYS 17 -5.152 27.543 -12.648 135 HG2 LYS 17 2HG LYS 17 -6.580 26.503 -11.052 136 HG3 LYS 17 3HG LYS 17 -5.272 25.471 -10.471 137 HD2 LYS 17 2HD LYS 17 -4.248 28.016 -10.186 138 HD3 LYS 17 3HD LYS 17 -5.949 28.214 -9.759 139 HE2 LYS 17 2HE LYS 17 -4.100 26.138 -8.589 140 HE3 LYS 17 3HE LYS 17 -4.513 27.669 -7.819 141 HZ1 LYS 17 1HZ LYS 17 -6.064 26.348 -6.863 142 HZ2 LYS 17 2HZ LYS 17 -6.130 25.264 -8.160 143 HZ3 LYS 17 3HZ LYS 17 -6.935 26.748 -8.257 144 H CYS 18 H CYS 18 -4.563 23.079 -12.430 145 HA CYS 18 HA CYS 18 -7.205 22.730 -11.256 146 HB2 CYS 18 2HB CYS 18 -6.163 20.980 -13.493 147 HB3 CYS 18 3HB CYS 18 -7.578 20.615 -12.511 148 H GLN 19 H GLN 19 -7.075 21.603 -9.426 149 HA GLN 19 HA GLN 19 -5.365 19.372 -9.049 150 HB2 GLN 19 2HB GLN 19 -3.629 20.192 -7.808 151 HB3 GLN 19 3HB GLN 19 -3.907 21.583 -8.848 152 HG2 GLN 19 2HG GLN 19 -5.548 22.256 -6.885 153 HG3 GLN 19 3HG GLN 19 -4.457 21.228 -5.958 154 HE21 GLN 19 1HE2 GLN 19 -3.808 23.076 -4.781 155 HE22 GLN 19 2HE2 GLN 19 -2.690 24.210 -5.452 156 H ARG 20 H ARG 20 -5.368 18.678 -6.679 157 HA ARG 20 HA ARG 20 -8.090 18.931 -5.712 158 HB2 ARG 20 2HB ARG 20 -7.650 17.047 -4.367 159 HB3 ARG 20 3HB ARG 20 -6.780 16.746 -5.866 160 HG2 ARG 20 2HG ARG 20 -4.950 18.071 -4.249 161 HG3 ARG 20 3HG ARG 20 -5.787 16.955 -3.168 162 HD2 ARG 20 2HD ARG 20 -4.808 15.169 -4.090 163 HD3 ARG 20 3HD ARG 20 -5.106 15.751 -5.727 164 HE ARG 20 HE ARG 20 -3.072 17.314 -4.909 165 HH11 ARG 20 1HH1 ARG 20 -3.566 13.868 -4.866 166 HH12 ARG 20 2HH1 ARG 20 -1.882 13.493 -5.025 167 HH21 ARG 20 1HH2 ARG 20 -0.852 16.833 -5.119 168 HH22 ARG 20 2HH2 ARG 20 -0.339 15.181 -5.168 169 H ALA 21 H ALA 21 -8.302 18.975 -3.212 170 HA ALA 21 HA ALA 21 -6.374 20.728 -1.919 171 HB1 ALA 21 1HB ALA 21 -8.068 22.153 -3.173 172 HB2 ALA 21 2HB ALA 21 -9.252 21.585 -1.995 173 HB3 ALA 21 3HB ALA 21 -7.844 22.501 -1.458 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.990 -1.969 -0.410 2 HA2 GLY 1 2HA GLY 1 0.811 0.497 -1.906 3 HA3 GLY 1 3HA GLY 1 2.434 0.116 -1.350 4 H SER 2 H SER 2 0.064 -0.450 -3.718 5 HA SER 2 HA SER 2 1.842 -2.387 -5.026 6 HB2 SER 2 2HB SER 2 0.159 -3.840 -4.288 7 HB3 SER 2 3HB SER 2 -1.114 -2.648 -4.543 8 HG SER 2 HG SER 2 -1.317 -3.973 -6.246 9 H LYS 3 H LYS 3 -1.295 -0.935 -5.863 10 HA LYS 3 HA LYS 3 -0.182 -0.095 -8.425 11 HB2 LYS 3 2HB LYS 3 -2.510 0.355 -9.056 12 HB3 LYS 3 3HB LYS 3 -2.316 -1.283 -8.446 13 HG2 LYS 3 2HG LYS 3 -3.078 0.749 -6.454 14 HG3 LYS 3 3HG LYS 3 -4.285 0.372 -7.685 15 HD2 LYS 3 2HD LYS 3 -2.937 -1.945 -6.455 16 HD3 LYS 3 3HD LYS 3 -3.993 -1.016 -5.388 17 HE2 LYS 3 2HE LYS 3 -4.885 -1.935 -8.105 18 HE3 LYS 3 3HE LYS 3 -5.027 -2.965 -6.682 19 HZ1 LYS 3 1HZ LYS 3 -6.911 -1.931 -6.216 20 HZ2 LYS 3 2HZ LYS 3 -6.707 -0.858 -7.508 21 HZ3 LYS 3 3HZ LYS 3 -6.061 -0.485 -5.990 22 H LYS 4 H LYS 4 -0.930 2.078 -9.265 23 HA LYS 4 HA LYS 4 -0.724 4.086 -7.117 24 HB2 LYS 4 2HB LYS 4 0.692 3.787 -9.682 25 HB3 LYS 4 3HB LYS 4 0.107 5.413 -9.353 26 HG2 LYS 4 2HG LYS 4 1.459 5.670 -7.501 27 HG3 LYS 4 3HG LYS 4 1.636 3.930 -7.261 28 HD2 LYS 4 2HD LYS 4 2.842 3.993 -9.558 29 HD3 LYS 4 3HD LYS 4 3.006 5.720 -9.232 30 HE2 LYS 4 2HE LYS 4 3.899 3.546 -7.344 31 HE3 LYS 4 3HE LYS 4 4.958 4.337 -8.511 32 HZ1 LYS 4 1HZ LYS 4 4.967 6.268 -7.336 33 HZ2 LYS 4 2HZ LYS 4 4.759 5.187 -6.052 34 HZ3 LYS 4 3HZ LYS 4 3.429 6.027 -6.674 35 HA PRO 5 HA PRO 5 -4.811 4.722 -9.172 36 HB2 PRO 5 2HB PRO 5 -6.121 5.316 -6.869 37 HB3 PRO 5 3HB PRO 5 -5.885 3.660 -7.441 38 HG2 PRO 5 2HG PRO 5 -4.348 5.188 -5.376 39 HG3 PRO 5 3HG PRO 5 -4.907 3.506 -5.337 40 HD2 PRO 5 2HD PRO 5 -2.354 4.179 -5.937 41 HD3 PRO 5 3HD PRO 5 -3.159 2.762 -6.642 42 H VAL 6 H VAL 6 -6.414 6.674 -8.407 43 HA VAL 6 HA VAL 6 -4.908 9.062 -7.723 44 HB VAL 6 HB VAL 6 -6.310 8.807 -10.387 45 HG11 VAL 6 1HG1 VAL 6 -5.307 11.147 -10.683 46 HG12 VAL 6 2HG1 VAL 6 -6.746 10.992 -9.672 47 HG13 VAL 6 3HG1 VAL 6 -5.156 11.161 -8.926 48 HG21 VAL 6 1HG2 VAL 6 -4.069 9.272 -11.317 49 HG22 VAL 6 2HG2 VAL 6 -3.398 9.182 -9.689 50 HG23 VAL 6 3HG2 VAL 6 -4.132 7.755 -10.420 51 HA PRO 7 HA PRO 7 -8.893 9.617 -5.785 52 HB2 PRO 7 2HB PRO 7 -8.218 11.879 -4.446 53 HB3 PRO 7 3HB PRO 7 -7.726 10.267 -3.916 54 HG2 PRO 7 2HG PRO 7 -6.167 12.317 -5.441 55 HG3 PRO 7 3HG PRO 7 -5.644 11.287 -4.096 56 HD2 PRO 7 2HD PRO 7 -5.050 10.726 -6.678 57 HD3 PRO 7 3HD PRO 7 -5.309 9.460 -5.460 58 H ILE 8 H ILE 8 -10.092 11.923 -5.304 59 HA ILE 8 HA ILE 8 -10.704 12.922 -7.950 60 HB ILE 8 HB ILE 8 -12.501 14.191 -6.823 61 HG12 ILE 8 2HG1 ILE 8 -12.857 13.389 -4.348 62 HG13 ILE 8 3HG1 ILE 8 -11.119 13.114 -4.391 63 HG21 ILE 8 1HG2 ILE 8 -12.571 11.359 -5.836 64 HG22 ILE 8 2HG2 ILE 8 -13.893 12.349 -6.452 65 HG23 ILE 8 3HG2 ILE 8 -12.657 11.744 -7.555 66 HD11 ILE 8 1HD1 ILE 8 -12.357 15.459 -3.729 67 HD12 ILE 8 2HD1 ILE 8 -10.670 15.285 -4.215 68 HD13 ILE 8 3HD1 ILE 8 -11.891 15.728 -5.408 69 H ILE 9 H ILE 9 -10.633 15.101 -8.584 70 HA ILE 9 HA ILE 9 -8.992 16.872 -6.902 71 HB ILE 9 HB ILE 9 -7.659 17.584 -8.717 72 HG12 ILE 9 2HG1 ILE 9 -8.209 16.189 -10.985 73 HG13 ILE 9 3HG1 ILE 9 -9.830 16.399 -10.332 74 HG21 ILE 9 1HG2 ILE 9 -6.545 15.546 -9.441 75 HG22 ILE 9 2HG2 ILE 9 -6.995 15.440 -7.740 76 HG23 ILE 9 3HG2 ILE 9 -7.948 14.593 -8.958 77 HD11 ILE 9 1HD1 ILE 9 -9.506 18.219 -11.752 78 HD12 ILE 9 2HD1 ILE 9 -9.240 18.868 -10.133 79 HD13 ILE 9 3HD1 ILE 9 -7.864 18.496 -11.172 80 H ALA 10 H ALA 10 -9.305 19.125 -7.244 81 HA ALA 10 HA ALA 10 -11.965 19.744 -8.318 82 HB1 ALA 10 1HB ALA 10 -11.824 21.794 -6.968 83 HB2 ALA 10 2HB ALA 10 -11.632 20.337 -5.992 84 HB3 ALA 10 3HB ALA 10 -10.221 21.305 -6.417 85 H CYS 11 H CYS 11 -12.256 21.091 -10.000 86 HA CYS 11 HA CYS 11 -9.894 21.983 -11.439 87 HB2 CYS 11 2HB CYS 11 -12.492 21.119 -12.170 88 HB3 CYS 11 3HB CYS 11 -12.339 22.790 -12.703 89 H ASN 12 H ASN 12 -9.716 24.158 -12.286 90 HA ASN 12 HA ASN 12 -11.079 26.174 -10.627 91 HB2 ASN 12 2HB ASN 12 -8.700 25.778 -9.924 92 HB3 ASN 12 3HB ASN 12 -8.194 26.329 -11.519 93 HD21 ASN 12 1HD2 ASN 12 -7.211 28.196 -11.086 94 HD22 ASN 12 2HD2 ASN 12 -7.937 29.535 -10.272 95 H ARG 13 H ARG 13 -11.773 27.997 -11.647 96 HA ARG 13 HA ARG 13 -11.828 27.921 -14.538 97 HB2 ARG 13 2HB ARG 13 -13.092 29.784 -12.525 98 HB3 ARG 13 3HB ARG 13 -13.293 29.949 -14.264 99 HG2 ARG 13 2HG ARG 13 -15.186 28.792 -13.697 100 HG3 ARG 13 3HG ARG 13 -14.093 27.472 -14.122 101 HD2 ARG 13 2HD ARG 13 -13.742 28.130 -11.366 102 HD3 ARG 13 3HD ARG 13 -15.460 27.900 -11.687 103 HE ARG 13 HE ARG 13 -13.424 25.887 -11.665 104 HH11 ARG 13 1HH1 ARG 13 -16.510 26.783 -13.005 105 HH12 ARG 13 2HH1 ARG 13 -16.996 25.150 -13.315 106 HH21 ARG 13 1HH2 ARG 13 -14.054 23.732 -12.068 107 HH22 ARG 13 2HH2 ARG 13 -15.599 23.415 -12.781 108 H ARG 14 H ARG 14 -9.275 28.229 -14.025 109 HA ARG 14 HA ARG 14 -8.741 30.981 -14.840 110 HB2 ARG 14 2HB ARG 14 -7.220 29.632 -12.602 111 HB3 ARG 14 3HB ARG 14 -6.892 31.226 -13.268 112 HG2 ARG 14 2HG ARG 14 -9.455 30.454 -11.892 113 HG3 ARG 14 3HG ARG 14 -8.099 31.265 -11.107 114 HD2 ARG 14 2HD ARG 14 -9.276 32.425 -13.593 115 HD3 ARG 14 3HD ARG 14 -10.103 32.651 -12.053 116 HE ARG 14 HE ARG 14 -7.321 33.329 -11.945 117 HH11 ARG 14 1HH1 ARG 14 -10.497 34.481 -12.785 118 HH12 ARG 14 2HH1 ARG 14 -10.091 36.151 -12.567 119 HH21 ARG 14 1HH2 ARG 14 -6.774 35.524 -11.655 120 HH22 ARG 14 2HH2 ARG 14 -7.973 36.743 -11.925 121 H THR 15 H THR 15 -5.890 30.680 -14.622 122 HA THR 15 HA THR 15 -5.221 29.706 -17.100 123 HB THR 15 HB THR 15 -3.647 31.059 -15.893 124 HG1 THR 15 HG1 THR 15 -1.765 29.506 -15.991 125 HG21 THR 15 1HG2 THR 15 -2.465 29.270 -14.051 126 HG22 THR 15 2HG2 THR 15 -4.204 29.241 -13.757 127 HG23 THR 15 3HG2 THR 15 -3.327 30.770 -13.708 128 H GLY 16 H GLY 16 -5.865 27.730 -17.772 129 HA2 GLY 16 2HA GLY 16 -6.479 25.427 -17.148 130 HA3 GLY 16 3HA GLY 16 -4.893 25.450 -17.905 131 H LYS 17 H LYS 17 -6.544 25.507 -14.778 132 HA LYS 17 HA LYS 17 -4.335 23.944 -13.663 133 HB2 LYS 17 2HB LYS 17 -3.607 25.676 -12.452 134 HB3 LYS 17 3HB LYS 17 -4.957 26.677 -12.970 135 HG2 LYS 17 2HG LYS 17 -6.322 25.900 -11.182 136 HG3 LYS 17 3HG LYS 17 -5.144 24.660 -10.747 137 HD2 LYS 17 2HD LYS 17 -3.780 27.129 -10.722 138 HD3 LYS 17 3HD LYS 17 -5.307 27.381 -9.873 139 HE2 LYS 17 2HE LYS 17 -3.879 26.667 -8.187 140 HE3 LYS 17 3HE LYS 17 -4.726 25.190 -8.643 141 HZ1 LYS 17 1HZ LYS 17 -2.044 25.977 -9.644 142 HZ2 LYS 17 2HZ LYS 17 -2.847 24.523 -9.961 143 HZ3 LYS 17 3HZ LYS 17 -2.320 24.872 -8.393 144 H CYS 18 H CYS 18 -5.103 22.178 -12.722 145 HA CYS 18 HA CYS 18 -7.590 22.284 -11.212 146 HB2 CYS 18 2HB CYS 18 -7.159 20.384 -13.526 147 HB3 CYS 18 3HB CYS 18 -8.472 20.258 -12.359 148 H GLN 19 H GLN 19 -7.410 21.158 -9.386 149 HA GLN 19 HA GLN 19 -6.060 18.669 -9.183 150 HB2 GLN 19 2HB GLN 19 -4.071 19.189 -8.185 151 HB3 GLN 19 3HB GLN 19 -4.246 20.606 -9.211 152 HG2 GLN 19 2HG GLN 19 -5.493 21.543 -7.074 153 HG3 GLN 19 3HG GLN 19 -4.475 20.350 -6.269 154 HE21 GLN 19 1HE2 GLN 19 -2.155 20.473 -6.705 155 HE22 GLN 19 2HE2 GLN 19 -1.440 22.024 -6.961 156 H ARG 20 H ARG 20 -5.881 17.980 -6.821 157 HA ARG 20 HA ARG 20 -8.377 18.684 -5.524 158 HB2 ARG 20 2HB ARG 20 -8.120 16.737 -4.246 159 HB3 ARG 20 3HB ARG 20 -7.440 16.309 -5.810 160 HG2 ARG 20 2HG ARG 20 -5.270 17.290 -4.431 161 HG3 ARG 20 3HG ARG 20 -6.183 16.421 -3.196 162 HD2 ARG 20 2HD ARG 20 -4.690 14.854 -4.158 163 HD3 ARG 20 3HD ARG 20 -6.289 14.484 -4.802 164 HE ARG 20 HE ARG 20 -5.164 16.169 -6.640 165 HH11 ARG 20 1HH1 ARG 20 -4.294 13.115 -5.213 166 HH12 ARG 20 2HH1 ARG 20 -3.427 12.563 -6.608 167 HH21 ARG 20 1HH2 ARG 20 -4.025 15.453 -8.482 168 HH22 ARG 20 2HH2 ARG 20 -3.274 13.893 -8.466 169 H ALA 21 H ALA 21 -8.258 18.752 -3.017 170 HA ALA 21 HA ALA 21 -7.696 19.936 -1.157 171 HB1 ALA 21 1HB ALA 21 -5.555 18.532 -1.633 172 HB2 ALA 21 2HB ALA 21 -4.855 20.093 -2.063 173 HB3 ALA 21 3HB ALA 21 -5.507 19.835 -0.445 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.450 1.391 -2.693 2 HA2 GLY 1 2HA GLY 1 3.045 0.191 -1.132 3 HA3 GLY 1 3HA GLY 1 1.592 -0.536 -0.461 4 H SER 2 H SER 2 0.330 -0.737 -3.124 5 HA SER 2 HA SER 2 2.026 -2.792 -4.363 6 HB2 SER 2 2HB SER 2 -0.769 -3.092 -3.319 7 HB3 SER 2 3HB SER 2 -0.255 -4.040 -4.715 8 HG SER 2 HG SER 2 0.143 -4.651 -2.240 9 H LYS 3 H LYS 3 -1.208 -1.352 -4.815 10 HA LYS 3 HA LYS 3 -0.684 -1.144 -7.679 11 HB2 LYS 3 2HB LYS 3 -3.135 -1.007 -5.967 12 HB3 LYS 3 3HB LYS 3 -3.164 -0.283 -7.569 13 HG2 LYS 3 2HG LYS 3 -3.911 -2.351 -8.105 14 HG3 LYS 3 3HG LYS 3 -2.177 -2.651 -8.242 15 HD2 LYS 3 2HD LYS 3 -2.261 -3.366 -5.804 16 HD3 LYS 3 3HD LYS 3 -4.019 -3.359 -5.970 17 HE2 LYS 3 2HE LYS 3 -2.770 -4.780 -8.151 18 HE3 LYS 3 3HE LYS 3 -2.267 -5.440 -6.596 19 HZ1 LYS 3 1HZ LYS 3 -4.669 -5.866 -7.926 20 HZ2 LYS 3 2HZ LYS 3 -5.039 -4.953 -6.552 21 HZ3 LYS 3 3HZ LYS 3 -4.223 -6.426 -6.393 22 H LYS 4 H LYS 4 -1.349 0.863 -8.809 23 HA LYS 4 HA LYS 4 -0.666 3.237 -7.202 24 HB2 LYS 4 2HB LYS 4 0.093 4.191 -9.446 25 HB3 LYS 4 3HB LYS 4 1.104 2.944 -8.727 26 HG2 LYS 4 2HG LYS 4 -0.970 1.949 -10.548 27 HG3 LYS 4 3HG LYS 4 0.268 2.957 -11.300 28 HD2 LYS 4 2HD LYS 4 1.267 0.924 -9.420 29 HD3 LYS 4 3HD LYS 4 0.513 0.291 -10.885 30 HE2 LYS 4 2HE LYS 4 2.297 2.514 -11.434 31 HE3 LYS 4 3HE LYS 4 3.122 1.185 -10.622 32 HZ1 LYS 4 1HZ LYS 4 1.884 1.265 -13.269 33 HZ2 LYS 4 2HZ LYS 4 1.811 -0.195 -12.419 34 HZ3 LYS 4 3HZ LYS 4 3.311 0.507 -12.765 35 HA PRO 5 HA PRO 5 -5.001 3.836 -8.679 36 HB2 PRO 5 2HB PRO 5 -5.852 5.009 -6.383 37 HB3 PRO 5 3HB PRO 5 -5.821 3.256 -6.612 38 HG2 PRO 5 2HG PRO 5 -3.857 5.016 -5.194 39 HG3 PRO 5 3HG PRO 5 -4.503 3.439 -4.705 40 HD2 PRO 5 2HD PRO 5 -2.057 3.725 -5.830 41 HD3 PRO 5 3HD PRO 5 -3.058 2.280 -6.076 42 H VAL 6 H VAL 6 -6.326 6.040 -8.147 43 HA VAL 6 HA VAL 6 -4.534 8.342 -8.330 44 HB VAL 6 HB VAL 6 -4.903 7.675 -10.656 45 HG11 VAL 6 1HG1 VAL 6 -7.822 8.272 -10.351 46 HG12 VAL 6 2HG1 VAL 6 -6.989 7.406 -11.644 47 HG13 VAL 6 3HG1 VAL 6 -7.198 6.648 -10.064 48 HG21 VAL 6 1HG2 VAL 6 -6.564 10.127 -10.160 49 HG22 VAL 6 2HG2 VAL 6 -4.825 10.109 -9.871 50 HG23 VAL 6 3HG2 VAL 6 -5.453 9.797 -11.489 51 HA PRO 7 HA PRO 7 -7.774 9.746 -5.597 52 HB2 PRO 7 2HB PRO 7 -6.615 12.133 -5.024 53 HB3 PRO 7 3HB PRO 7 -6.092 10.611 -4.292 54 HG2 PRO 7 2HG PRO 7 -4.903 12.114 -6.592 55 HG3 PRO 7 3HG PRO 7 -4.087 11.318 -5.233 56 HD2 PRO 7 2HD PRO 7 -4.275 10.186 -7.686 57 HD3 PRO 7 3HD PRO 7 -4.260 9.228 -6.191 58 H ILE 8 H ILE 8 -8.664 12.216 -5.351 59 HA ILE 8 HA ILE 8 -9.560 12.939 -8.060 60 HB ILE 8 HB ILE 8 -11.525 13.960 -6.974 61 HG12 ILE 8 2HG1 ILE 8 -11.826 13.053 -4.507 62 HG13 ILE 8 3HG1 ILE 8 -10.066 13.078 -4.519 63 HG21 ILE 8 1HG2 ILE 8 -10.867 11.092 -6.837 64 HG22 ILE 8 2HG2 ILE 8 -12.277 11.603 -5.909 65 HG23 ILE 8 3HG2 ILE 8 -12.202 11.916 -7.643 66 HD11 ILE 8 1HD1 ILE 8 -11.221 15.536 -5.538 67 HD12 ILE 8 2HD1 ILE 8 -11.717 15.176 -3.884 68 HD13 ILE 8 3HD1 ILE 8 -10.004 15.284 -4.287 69 H ILE 9 H ILE 9 -9.599 15.082 -8.710 70 HA ILE 9 HA ILE 9 -8.325 17.030 -6.911 71 HB ILE 9 HB ILE 9 -6.916 17.877 -8.608 72 HG12 ILE 9 2HG1 ILE 9 -7.095 16.412 -10.893 73 HG13 ILE 9 3HG1 ILE 9 -8.783 16.447 -10.394 74 HG21 ILE 9 1HG2 ILE 9 -5.525 15.966 -9.198 75 HG22 ILE 9 2HG2 ILE 9 -6.106 15.833 -7.539 76 HG23 ILE 9 3HG2 ILE 9 -6.851 14.870 -8.814 77 HD11 ILE 9 1HD1 ILE 9 -8.525 18.280 -11.814 78 HD12 ILE 9 2HD1 ILE 9 -8.494 18.965 -10.189 79 HD13 ILE 9 3HD1 ILE 9 -6.989 18.744 -11.082 80 H ALA 10 H ALA 10 -8.841 19.236 -7.321 81 HA ALA 10 HA ALA 10 -11.445 19.554 -8.637 82 HB1 ALA 10 1HB ALA 10 -11.647 21.617 -7.314 83 HB2 ALA 10 2HB ALA 10 -11.388 20.197 -6.300 84 HB3 ALA 10 3HB ALA 10 -10.057 21.310 -6.616 85 H CYS 11 H CYS 11 -11.726 20.850 -10.361 86 HA CYS 11 HA CYS 11 -9.354 21.982 -11.599 87 HB2 CYS 11 2HB CYS 11 -11.765 20.834 -12.544 88 HB3 CYS 11 3HB CYS 11 -11.748 22.508 -13.088 89 H ASN 12 H ASN 12 -9.335 24.157 -12.463 90 HA ASN 12 HA ASN 12 -11.053 26.025 -10.970 91 HB2 ASN 12 2HB ASN 12 -8.720 25.894 -10.047 92 HB3 ASN 12 3HB ASN 12 -8.132 26.487 -11.597 93 HD21 ASN 12 1HD2 ASN 12 -7.404 28.455 -11.118 94 HD22 ASN 12 2HD2 ASN 12 -8.342 29.711 -10.391 95 H ARG 13 H ARG 13 -11.841 27.755 -12.080 96 HA ARG 13 HA ARG 13 -11.621 27.652 -14.962 97 HB2 ARG 13 2HB ARG 13 -13.331 29.166 -13.020 98 HB3 ARG 13 3HB ARG 13 -13.242 29.682 -14.699 99 HG2 ARG 13 2HG ARG 13 -14.479 27.956 -15.433 100 HG3 ARG 13 3HG ARG 13 -13.762 26.818 -14.290 101 HD2 ARG 13 2HD ARG 13 -15.868 26.940 -13.425 102 HD3 ARG 13 3HD ARG 13 -15.118 28.273 -12.548 103 HE ARG 13 HE ARG 13 -16.100 29.487 -14.744 104 HH11 ARG 13 1HH1 ARG 13 -17.506 27.317 -12.412 105 HH12 ARG 13 2HH1 ARG 13 -19.101 27.976 -12.567 106 HH21 ARG 13 1HH2 ARG 13 -18.195 30.362 -14.957 107 HH22 ARG 13 2HH2 ARG 13 -19.492 29.707 -14.016 108 H ARG 14 H ARG 14 -9.173 28.238 -14.224 109 HA ARG 14 HA ARG 14 -8.864 31.026 -15.034 110 HB2 ARG 14 2HB ARG 14 -7.424 29.861 -12.644 111 HB3 ARG 14 3HB ARG 14 -7.198 31.474 -13.306 112 HG2 ARG 14 2HG ARG 14 -9.781 30.452 -12.147 113 HG3 ARG 14 3HG ARG 14 -8.595 31.421 -11.269 114 HD2 ARG 14 2HD ARG 14 -9.232 32.657 -13.785 115 HD3 ARG 14 3HD ARG 14 -10.707 32.331 -12.876 116 HE ARG 14 HE ARG 14 -8.668 33.555 -11.282 117 HH11 ARG 14 1HH1 ARG 14 -11.225 34.162 -13.565 118 HH12 ARG 14 2HH1 ARG 14 -11.494 35.787 -13.029 119 HH21 ARG 14 1HH2 ARG 14 -9.013 35.693 -10.568 120 HH22 ARG 14 2HH2 ARG 14 -10.235 36.658 -11.325 121 H THR 15 H THR 15 -6.030 31.036 -14.557 122 HA THR 15 HA THR 15 -5.039 30.123 -16.949 123 HB THR 15 HB THR 15 -3.735 31.648 -15.630 124 HG1 THR 15 HG1 THR 15 -1.689 30.403 -15.598 125 HG21 THR 15 1HG2 THR 15 -2.542 30.010 -13.659 126 HG22 THR 15 2HG2 THR 15 -4.287 29.800 -13.520 127 HG23 THR 15 3HG2 THR 15 -3.583 31.413 -13.421 128 H GLY 16 H GLY 16 -5.404 28.084 -17.641 129 HA2 GLY 16 2HA GLY 16 -5.820 25.732 -17.036 130 HA3 GLY 16 3HA GLY 16 -4.184 25.922 -17.649 131 H LYS 17 H LYS 17 -6.108 25.825 -14.683 132 HA LYS 17 HA LYS 17 -3.856 24.517 -13.348 133 HB2 LYS 17 2HB LYS 17 -3.429 26.326 -12.106 134 HB3 LYS 17 3HB LYS 17 -4.824 27.173 -12.762 135 HG2 LYS 17 2HG LYS 17 -6.257 26.278 -11.090 136 HG3 LYS 17 3HG LYS 17 -5.007 25.162 -10.533 137 HD2 LYS 17 2HD LYS 17 -5.221 27.069 -9.023 138 HD3 LYS 17 3HD LYS 17 -3.639 27.055 -9.805 139 HE2 LYS 17 2HE LYS 17 -5.470 28.539 -11.418 140 HE3 LYS 17 3HE LYS 17 -5.554 29.133 -9.760 141 HZ1 LYS 17 1HZ LYS 17 -3.871 30.293 -11.066 142 HZ2 LYS 17 2HZ LYS 17 -3.060 28.835 -11.345 143 HZ3 LYS 17 3HZ LYS 17 -3.172 29.453 -9.775 144 H CYS 18 H CYS 18 -4.514 22.685 -12.452 145 HA CYS 18 HA CYS 18 -7.125 22.535 -11.171 146 HB2 CYS 18 2HB CYS 18 -6.286 20.675 -13.405 147 HB3 CYS 18 3HB CYS 18 -7.677 20.417 -12.357 148 H GLN 19 H GLN 19 -6.992 21.447 -9.317 149 HA GLN 19 HA GLN 19 -5.412 19.118 -8.951 150 HB2 GLN 19 2HB GLN 19 -3.583 19.854 -7.795 151 HB3 GLN 19 3HB GLN 19 -3.814 21.237 -8.856 152 HG2 GLN 19 2HG GLN 19 -5.337 22.051 -6.850 153 HG3 GLN 19 3HG GLN 19 -4.271 20.981 -5.941 154 HE21 GLN 19 1HE2 GLN 19 -1.933 21.335 -6.245 155 HE22 GLN 19 2HE2 GLN 19 -1.373 22.957 -6.440 156 H ARG 20 H ARG 20 -5.369 18.476 -6.569 157 HA ARG 20 HA ARG 20 -8.030 18.926 -5.507 158 HB2 ARG 20 2HB ARG 20 -7.687 17.028 -4.176 159 HB3 ARG 20 3HB ARG 20 -6.834 16.659 -5.669 160 HG2 ARG 20 2HG ARG 20 -5.127 16.110 -4.349 161 HG3 ARG 20 3HG ARG 20 -4.884 17.849 -4.167 162 HD2 ARG 20 2HD ARG 20 -6.864 17.256 -2.327 163 HD3 ARG 20 3HD ARG 20 -5.770 15.877 -2.227 164 HE ARG 20 HE ARG 20 -4.433 18.421 -2.170 165 HH11 ARG 20 1HH1 ARG 20 -6.032 15.982 -0.269 166 HH12 ARG 20 2HH1 ARG 20 -5.228 16.416 1.203 167 HH21 ARG 20 1HH2 ARG 20 -3.368 19.003 -0.238 168 HH22 ARG 20 2HH2 ARG 20 -3.714 18.135 1.219 169 H ALA 21 H ALA 21 -8.141 19.027 -3.002 170 HA ALA 21 HA ALA 21 -6.045 20.554 -1.736 171 HB1 ALA 21 1HB ALA 21 -8.397 22.126 -1.362 172 HB2 ALA 21 2HB ALA 21 -6.838 22.603 -2.034 173 HB3 ALA 21 3HB ALA 21 -8.090 21.948 -3.090 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.269 0.110 -1.333 2 HA2 GLY 1 2HA GLY 1 2.525 -0.410 -1.252 3 HA3 GLY 1 3HA GLY 1 3.338 0.521 -2.502 4 H SER 2 H SER 2 1.308 -0.711 -3.479 5 HA SER 2 HA SER 2 2.429 -3.042 -4.874 6 HB2 SER 2 2HB SER 2 0.623 -3.493 -2.992 7 HB3 SER 2 3HB SER 2 -0.498 -3.006 -4.263 8 HG SER 2 HG SER 2 0.692 -5.353 -3.943 9 H LYS 3 H LYS 3 -0.514 -1.022 -4.909 10 HA LYS 3 HA LYS 3 -0.193 -0.765 -7.823 11 HB2 LYS 3 2HB LYS 3 -2.647 -0.103 -7.739 12 HB3 LYS 3 3HB LYS 3 -2.279 -1.784 -7.380 13 HG2 LYS 3 2HG LYS 3 -2.718 -1.525 -5.110 14 HG3 LYS 3 3HG LYS 3 -2.569 0.232 -5.186 15 HD2 LYS 3 2HD LYS 3 -4.862 -0.071 -5.045 16 HD3 LYS 3 3HD LYS 3 -4.607 0.085 -6.784 17 HE2 LYS 3 2HE LYS 3 -4.473 -2.638 -5.615 18 HE3 LYS 3 3HE LYS 3 -6.059 -1.877 -5.718 19 HZ1 LYS 3 1HZ LYS 3 -4.372 -2.909 -7.820 20 HZ2 LYS 3 2HZ LYS 3 -5.047 -1.395 -8.158 21 HZ3 LYS 3 3HZ LYS 3 -6.051 -2.704 -7.782 22 H LYS 4 H LYS 4 -1.125 1.328 -8.711 23 HA LYS 4 HA LYS 4 -0.545 3.587 -6.919 24 HB2 LYS 4 2HB LYS 4 0.494 4.739 -8.903 25 HB3 LYS 4 3HB LYS 4 1.414 3.384 -8.262 26 HG2 LYS 4 2HG LYS 4 -0.456 2.663 -10.394 27 HG3 LYS 4 3HG LYS 4 0.824 3.774 -10.885 28 HD2 LYS 4 2HD LYS 4 2.438 2.213 -10.658 29 HD3 LYS 4 3HD LYS 4 1.697 1.511 -9.218 30 HE2 LYS 4 2HE LYS 4 1.319 -0.209 -10.647 31 HE3 LYS 4 3HE LYS 4 -0.110 0.750 -11.027 32 HZ1 LYS 4 1HZ LYS 4 2.217 1.471 -12.561 33 HZ2 LYS 4 2HZ LYS 4 0.634 1.174 -13.074 34 HZ3 LYS 4 3HZ LYS 4 1.699 -0.117 -12.829 35 HA PRO 5 HA PRO 5 -4.685 4.126 -8.895 36 HB2 PRO 5 2HB PRO 5 -5.869 5.099 -6.655 37 HB3 PRO 5 3HB PRO 5 -5.728 3.370 -6.994 38 HG2 PRO 5 2HG PRO 5 -4.041 5.096 -5.223 39 HG3 PRO 5 3HG PRO 5 -4.669 3.465 -4.925 40 HD2 PRO 5 2HD PRO 5 -2.118 3.923 -5.707 41 HD3 PRO 5 3HD PRO 5 -3.012 2.462 -6.174 42 H VAL 6 H VAL 6 -6.168 6.239 -8.366 43 HA VAL 6 HA VAL 6 -4.468 8.611 -8.187 44 HB VAL 6 HB VAL 6 -4.543 8.104 -10.578 45 HG11 VAL 6 1HG1 VAL 6 -6.395 7.543 -11.732 46 HG12 VAL 6 2HG1 VAL 6 -7.021 7.113 -10.139 47 HG13 VAL 6 3HG1 VAL 6 -7.416 8.678 -10.850 48 HG21 VAL 6 1HG2 VAL 6 -6.367 10.380 -10.596 49 HG22 VAL 6 2HG2 VAL 6 -5.091 10.517 -9.386 50 HG23 VAL 6 3HG2 VAL 6 -4.675 10.280 -11.083 51 HA PRO 7 HA PRO 7 -8.052 9.697 -5.754 52 HB2 PRO 7 2HB PRO 7 -7.068 12.076 -4.890 53 HB3 PRO 7 3HB PRO 7 -6.566 10.524 -4.209 54 HG2 PRO 7 2HG PRO 7 -5.192 12.230 -6.248 55 HG3 PRO 7 3HG PRO 7 -4.500 11.367 -4.863 56 HD2 PRO 7 2HD PRO 7 -4.363 10.410 -7.392 57 HD3 PRO 7 3HD PRO 7 -4.474 9.347 -5.974 58 H ILE 8 H ILE 8 -9.079 12.100 -5.447 59 HA ILE 8 HA ILE 8 -9.804 12.910 -8.170 60 HB ILE 8 HB ILE 8 -11.770 13.980 -7.139 61 HG12 ILE 8 2HG1 ILE 8 -12.154 13.116 -4.673 62 HG13 ILE 8 3HG1 ILE 8 -10.395 13.079 -4.639 63 HG21 ILE 8 1HG2 ILE 8 -11.210 11.186 -7.299 64 HG22 ILE 8 2HG2 ILE 8 -12.313 11.480 -5.955 65 HG23 ILE 8 3HG2 ILE 8 -12.733 12.030 -7.577 66 HD11 ILE 8 1HD1 ILE 8 -10.260 15.285 -4.428 67 HD12 ILE 8 2HD1 ILE 8 -11.440 15.566 -5.709 68 HD13 ILE 8 3HD1 ILE 8 -11.985 15.238 -4.064 69 H ILE 9 H ILE 9 -9.806 15.061 -8.818 70 HA ILE 9 HA ILE 9 -8.501 16.977 -7.006 71 HB ILE 9 HB ILE 9 -7.061 17.794 -8.691 72 HG12 ILE 9 2HG1 ILE 9 -7.257 16.338 -10.980 73 HG13 ILE 9 3HG1 ILE 9 -8.948 16.411 -10.494 74 HG21 ILE 9 1HG2 ILE 9 -5.709 15.854 -9.274 75 HG22 ILE 9 2HG2 ILE 9 -6.307 15.729 -7.621 76 HG23 ILE 9 3HG2 ILE 9 -7.063 14.787 -8.905 77 HD11 ILE 9 1HD1 ILE 9 -8.598 18.923 -10.279 78 HD12 ILE 9 2HD1 ILE 9 -7.098 18.665 -11.170 79 HD13 ILE 9 3HD1 ILE 9 -8.644 18.241 -11.905 80 H ALA 10 H ALA 10 -8.965 19.195 -7.416 81 HA ALA 10 HA ALA 10 -11.551 19.574 -8.751 82 HB1 ALA 10 1HB ALA 10 -11.716 21.639 -7.426 83 HB2 ALA 10 2HB ALA 10 -11.498 20.211 -6.413 84 HB3 ALA 10 3HB ALA 10 -10.139 21.294 -6.715 85 H CYS 11 H CYS 11 -11.788 20.878 -10.475 86 HA CYS 11 HA CYS 11 -9.382 21.959 -11.692 87 HB2 CYS 11 2HB CYS 11 -11.809 20.866 -12.659 88 HB3 CYS 11 3HB CYS 11 -11.753 22.540 -13.198 89 H ASN 12 H ASN 12 -9.309 24.135 -12.553 90 HA ASN 12 HA ASN 12 -10.997 26.038 -11.070 91 HB2 ASN 12 2HB ASN 12 -8.676 25.853 -10.127 92 HB3 ASN 12 3HB ASN 12 -8.061 26.436 -11.671 93 HD21 ASN 12 1HD2 ASN 12 -7.295 28.387 -11.183 94 HD22 ASN 12 2HD2 ASN 12 -8.210 29.662 -10.461 95 H ARG 13 H ARG 13 -11.736 27.788 -12.184 96 HA ARG 13 HA ARG 13 -11.492 27.685 -15.065 97 HB2 ARG 13 2HB ARG 13 -13.138 29.360 -13.176 98 HB3 ARG 13 3HB ARG 13 -13.110 29.657 -14.909 99 HG2 ARG 13 2HG ARG 13 -14.887 28.284 -14.894 100 HG3 ARG 13 3HG ARG 13 -13.650 27.026 -14.903 101 HD2 ARG 13 2HD ARG 13 -13.843 26.681 -12.577 102 HD3 ARG 13 3HD ARG 13 -14.763 28.170 -12.357 103 HE ARG 13 HE ARG 13 -15.777 25.605 -13.187 104 HH11 ARG 13 1HH1 ARG 13 -16.316 29.044 -13.155 105 HH12 ARG 13 2HH1 ARG 13 -18.033 28.908 -13.345 106 HH21 ARG 13 1HH2 ARG 13 -18.036 25.413 -13.438 107 HH22 ARG 13 2HH2 ARG 13 -19.010 26.842 -13.505 108 H ARG 14 H ARG 14 -9.039 28.215 -14.303 109 HA ARG 14 HA ARG 14 -8.660 30.996 -15.104 110 HB2 ARG 14 2HB ARG 14 -7.268 29.793 -12.704 111 HB3 ARG 14 3HB ARG 14 -6.997 31.402 -13.361 112 HG2 ARG 14 2HG ARG 14 -9.614 30.440 -12.226 113 HG3 ARG 14 3HG ARG 14 -8.414 31.380 -11.337 114 HD2 ARG 14 2HD ARG 14 -9.025 32.615 -13.870 115 HD3 ARG 14 3HD ARG 14 -10.493 32.352 -12.930 116 HE ARG 14 HE ARG 14 -8.361 33.532 -11.413 117 HH11 ARG 14 1HH1 ARG 14 -11.020 34.164 -13.570 118 HH12 ARG 14 2HH1 ARG 14 -11.241 35.795 -13.029 119 HH21 ARG 14 1HH2 ARG 14 -8.642 35.678 -10.692 120 HH22 ARG 14 2HH2 ARG 14 -9.888 36.655 -11.393 121 H THR 15 H THR 15 -5.831 30.942 -14.603 122 HA THR 15 HA THR 15 -4.840 30.012 -16.989 123 HB THR 15 HB THR 15 -3.513 31.504 -15.656 124 HG1 THR 15 HG1 THR 15 -1.510 30.409 -15.801 125 HG21 THR 15 1HG2 THR 15 -3.386 31.261 -13.446 126 HG22 THR 15 2HG2 THR 15 -2.374 29.835 -13.679 127 HG23 THR 15 3HG2 THR 15 -4.124 29.664 -13.556 128 H GLY 16 H GLY 16 -5.248 27.983 -17.689 129 HA2 GLY 16 2HA GLY 16 -5.721 25.640 -17.092 130 HA3 GLY 16 3HA GLY 16 -4.076 25.794 -17.692 131 H LYS 17 H LYS 17 -6.025 25.733 -14.741 132 HA LYS 17 HA LYS 17 -3.813 24.371 -13.392 133 HB2 LYS 17 2HB LYS 17 -3.354 26.165 -12.139 134 HB3 LYS 17 3HB LYS 17 -4.718 27.049 -12.810 135 HG2 LYS 17 2HG LYS 17 -6.192 26.198 -11.154 136 HG3 LYS 17 3HG LYS 17 -4.985 25.040 -10.589 137 HD2 LYS 17 2HD LYS 17 -5.166 26.960 -9.079 138 HD3 LYS 17 3HD LYS 17 -3.568 26.873 -9.824 139 HE2 LYS 17 2HE LYS 17 -3.813 28.886 -10.739 140 HE3 LYS 17 3HE LYS 17 -5.368 28.439 -11.440 141 HZ1 LYS 17 1HZ LYS 17 -6.514 29.229 -9.626 142 HZ2 LYS 17 2HZ LYS 17 -5.248 30.347 -9.726 143 HZ3 LYS 17 3HZ LYS 17 -5.190 29.105 -8.579 144 H CYS 18 H CYS 18 -4.522 22.554 -12.505 145 HA CYS 18 HA CYS 18 -7.144 22.463 -11.243 146 HB2 CYS 18 2HB CYS 18 -6.334 20.586 -13.472 147 HB3 CYS 18 3HB CYS 18 -7.740 20.363 -12.437 148 H GLN 19 H GLN 19 -7.052 21.369 -9.390 149 HA GLN 19 HA GLN 19 -5.528 19.003 -9.018 150 HB2 GLN 19 2HB GLN 19 -3.693 19.695 -7.843 151 HB3 GLN 19 3HB GLN 19 -3.883 21.084 -8.905 152 HG2 GLN 19 2HG GLN 19 -5.406 21.927 -6.909 153 HG3 GLN 19 3HG GLN 19 -4.366 20.837 -5.994 154 HE21 GLN 19 1HE2 GLN 19 -2.164 21.281 -5.838 155 HE22 GLN 19 2HE2 GLN 19 -1.517 22.841 -6.202 156 H ARG 20 H ARG 20 -5.520 18.355 -6.636 157 HA ARG 20 HA ARG 20 -8.179 18.861 -5.596 158 HB2 ARG 20 2HB ARG 20 -7.887 16.955 -4.264 159 HB3 ARG 20 3HB ARG 20 -7.032 16.569 -5.751 160 HG2 ARG 20 2HG ARG 20 -5.351 15.978 -4.414 161 HG3 ARG 20 3HG ARG 20 -5.063 17.710 -4.241 162 HD2 ARG 20 2HD ARG 20 -5.337 17.394 -2.050 163 HD3 ARG 20 3HD ARG 20 -7.054 17.212 -2.404 164 HE ARG 20 HE ARG 20 -6.095 14.719 -2.782 165 HH11 ARG 20 1HH1 ARG 20 -5.804 17.006 -0.173 166 HH12 ARG 20 2HH1 ARG 20 -5.673 15.789 1.053 167 HH21 ARG 20 1HH2 ARG 20 -5.923 13.107 -1.177 168 HH22 ARG 20 2HH2 ARG 20 -5.740 13.571 0.480 169 H ALA 21 H ALA 21 -8.312 18.965 -3.094 170 HA ALA 21 HA ALA 21 -8.050 20.235 -1.223 171 HB1 ALA 21 1HB ALA 21 -6.109 19.204 -0.603 172 HB2 ALA 21 2HB ALA 21 -5.256 19.676 -2.073 173 HB3 ALA 21 3HB ALA 21 -5.523 20.857 -0.790 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -9.029 0.818 -0.455 2 HA2 GLY 1 2HA GLY 1 -9.284 0.401 -3.175 3 HA3 GLY 1 3HA GLY 1 -8.318 1.860 -3.011 4 H SER 2 H SER 2 -7.107 -0.113 -4.272 5 HA SER 2 HA SER 2 -5.400 -1.433 -2.267 6 HB2 SER 2 2HB SER 2 -5.988 -2.201 -5.135 7 HB3 SER 2 3HB SER 2 -4.807 -3.017 -4.110 8 HG SER 2 HG SER 2 -6.723 -3.229 -2.617 9 H LYS 3 H LYS 3 -4.980 -0.540 -5.688 10 HA LYS 3 HA LYS 3 -2.290 0.408 -5.070 11 HB2 LYS 3 2HB LYS 3 -3.733 -0.315 -7.600 12 HB3 LYS 3 3HB LYS 3 -2.266 0.654 -7.664 13 HG2 LYS 3 2HG LYS 3 -1.234 -1.230 -6.233 14 HG3 LYS 3 3HG LYS 3 -2.618 -2.180 -6.780 15 HD2 LYS 3 2HD LYS 3 -1.993 -1.899 -9.071 16 HD3 LYS 3 3HD LYS 3 -0.745 -0.726 -8.642 17 HE2 LYS 3 2HE LYS 3 0.680 -2.440 -8.632 18 HE3 LYS 3 3HE LYS 3 -0.099 -2.951 -7.136 19 HZ1 LYS 3 1HZ LYS 3 -0.227 -4.822 -8.453 20 HZ2 LYS 3 2HZ LYS 3 -0.518 -3.952 -9.874 21 HZ3 LYS 3 3HZ LYS 3 -1.741 -4.115 -8.718 22 H LYS 4 H LYS 4 -1.539 2.419 -6.181 23 HA LYS 4 HA LYS 4 -3.610 4.416 -6.645 24 HB2 LYS 4 2HB LYS 4 -1.661 4.471 -4.369 25 HB3 LYS 4 3HB LYS 4 -2.182 5.982 -5.104 26 HG2 LYS 4 2HG LYS 4 -4.486 5.490 -4.579 27 HG3 LYS 4 3HG LYS 4 -4.032 3.907 -3.946 28 HD2 LYS 4 2HD LYS 4 -2.535 5.182 -2.316 29 HD3 LYS 4 3HD LYS 4 -3.425 6.624 -2.811 30 HE2 LYS 4 2HE LYS 4 -5.534 5.395 -2.202 31 HE3 LYS 4 3HE LYS 4 -4.515 4.143 -1.495 32 HZ1 LYS 4 1HZ LYS 4 -4.167 6.950 -0.680 33 HZ2 LYS 4 2HZ LYS 4 -3.813 5.537 0.178 34 HZ3 LYS 4 3HZ LYS 4 -5.419 6.031 -0.010 35 HA PRO 5 HA PRO 5 -0.022 4.752 -9.534 36 HB2 PRO 5 2HB PRO 5 -1.556 5.161 -11.737 37 HB3 PRO 5 3HB PRO 5 -1.153 3.550 -11.132 38 HG2 PRO 5 2HG PRO 5 -3.656 5.145 -10.749 39 HG3 PRO 5 3HG PRO 5 -3.474 3.420 -11.116 40 HD2 PRO 5 2HD PRO 5 -3.995 4.331 -8.620 41 HD3 PRO 5 3HD PRO 5 -3.031 2.871 -8.922 42 H VAL 6 H VAL 6 -3.034 6.661 -9.691 43 HA VAL 6 HA VAL 6 -1.506 9.111 -9.380 44 HB VAL 6 HB VAL 6 -3.242 8.649 -11.810 45 HG11 VAL 6 1HG1 VAL 6 -3.568 10.846 -11.828 46 HG12 VAL 6 2HG1 VAL 6 -2.533 11.057 -10.414 47 HG13 VAL 6 3HG1 VAL 6 -1.830 11.061 -12.032 48 HG21 VAL 6 1HG2 VAL 6 -0.272 9.021 -11.476 49 HG22 VAL 6 2HG2 VAL 6 -1.117 7.630 -12.155 50 HG23 VAL 6 3HG2 VAL 6 -1.104 9.164 -13.024 51 HA PRO 7 HA PRO 7 -5.210 9.748 -6.970 52 HB2 PRO 7 2HB PRO 7 -4.415 12.109 -5.890 53 HB3 PRO 7 3HB PRO 7 -3.821 10.544 -5.322 54 HG2 PRO 7 2HG PRO 7 -2.525 12.503 -7.179 55 HG3 PRO 7 3HG PRO 7 -1.805 11.577 -5.848 56 HD2 PRO 7 2HD PRO 7 -1.545 10.843 -8.442 57 HD3 PRO 7 3HD PRO 7 -1.613 9.663 -7.117 58 H ILE 8 H ILE 8 -7.039 11.018 -7.143 59 HA ILE 8 HA ILE 8 -7.507 12.323 -9.590 60 HB ILE 8 HB ILE 8 -9.629 13.114 -8.525 61 HG12 ILE 8 2HG1 ILE 8 -10.067 11.940 -6.252 62 HG13 ILE 8 3HG1 ILE 8 -8.313 11.871 -6.124 63 HG21 ILE 8 1HG2 ILE 8 -8.807 10.509 -9.193 64 HG22 ILE 8 2HG2 ILE 8 -9.820 10.365 -7.758 65 HG23 ILE 8 3HG2 ILE 8 -10.444 11.164 -9.200 66 HD11 ILE 8 1HD1 ILE 8 -8.124 14.080 -5.732 67 HD12 ILE 8 2HD1 ILE 8 -9.470 14.497 -6.794 68 HD13 ILE 8 3HD1 ILE 8 -9.785 13.884 -5.171 69 H ILE 9 H ILE 9 -8.169 14.566 -9.903 70 HA ILE 9 HA ILE 9 -6.868 16.442 -8.047 71 HB ILE 9 HB ILE 9 -5.913 17.710 -9.805 72 HG12 ILE 9 2HG1 ILE 9 -6.262 16.507 -12.216 73 HG13 ILE 9 3HG1 ILE 9 -7.826 16.194 -11.471 74 HG21 ILE 9 1HG2 ILE 9 -4.389 16.121 -10.863 75 HG22 ILE 9 2HG2 ILE 9 -4.639 15.731 -9.162 76 HG23 ILE 9 3HG2 ILE 9 -5.456 14.791 -10.411 77 HD11 ILE 9 1HD1 ILE 9 -6.558 18.807 -12.163 78 HD12 ILE 9 2HD1 ILE 9 -8.154 18.188 -12.588 79 HD13 ILE 9 3HD1 ILE 9 -7.822 18.712 -10.937 80 H ALA 10 H ALA 10 -7.728 18.578 -8.037 81 HA ALA 10 HA ALA 10 -10.540 18.663 -8.873 82 HB1 ALA 10 1HB ALA 10 -10.771 20.488 -7.241 83 HB2 ALA 10 2HB ALA 10 -10.162 19.006 -6.503 84 HB3 ALA 10 3HB ALA 10 -9.058 20.337 -6.849 85 H CYS 11 H CYS 11 -11.286 20.120 -10.307 86 HA CYS 11 HA CYS 11 -9.332 21.729 -11.730 87 HB2 CYS 11 2HB CYS 11 -11.727 20.388 -12.425 88 HB3 CYS 11 3HB CYS 11 -12.009 22.105 -12.696 89 H ASN 12 H ASN 12 -9.717 23.980 -12.238 90 HA ASN 12 HA ASN 12 -11.306 25.377 -10.188 91 HB2 ASN 12 2HB ASN 12 -8.843 25.490 -9.755 92 HB3 ASN 12 3HB ASN 12 -8.654 26.315 -11.299 93 HD21 ASN 12 1HD2 ASN 12 -8.062 28.300 -10.708 94 HD22 ASN 12 2HD2 ASN 12 -8.968 29.336 -9.663 95 H ARG 13 H ARG 13 -12.492 27.120 -10.841 96 HA ARG 13 HA ARG 13 -12.918 27.387 -13.688 97 HB2 ARG 13 2HB ARG 13 -14.255 28.644 -11.290 98 HB3 ARG 13 3HB ARG 13 -14.709 29.009 -12.950 99 HG2 ARG 13 2HG ARG 13 -16.245 27.400 -12.364 100 HG3 ARG 13 3HG ARG 13 -15.000 26.444 -13.170 101 HD2 ARG 13 2HD ARG 13 -14.168 25.612 -11.149 102 HD3 ARG 13 3HD ARG 13 -14.959 26.872 -10.203 103 HE ARG 13 HE ARG 13 -17.038 25.542 -11.297 104 HH11 ARG 13 1HH1 ARG 13 -14.233 24.516 -9.507 105 HH12 ARG 13 2HH1 ARG 13 -15.024 23.145 -8.801 106 HH21 ARG 13 1HH2 ARG 13 -18.089 23.740 -10.374 107 HH22 ARG 13 2HH2 ARG 13 -17.217 22.704 -9.296 108 H ARG 14 H ARG 14 -10.437 28.191 -13.412 109 HA ARG 14 HA ARG 14 -10.596 31.067 -13.879 110 HB2 ARG 14 2HB ARG 14 -8.566 29.841 -12.002 111 HB3 ARG 14 3HB ARG 14 -8.642 31.530 -12.483 112 HG2 ARG 14 2HG ARG 14 -10.814 30.093 -10.975 113 HG3 ARG 14 3HG ARG 14 -9.560 31.086 -10.229 114 HD2 ARG 14 2HD ARG 14 -11.344 32.161 -12.390 115 HD3 ARG 14 3HD ARG 14 -11.840 32.166 -10.698 116 HE ARG 14 HE ARG 14 -9.270 33.322 -10.995 117 HH11 ARG 14 1HH1 ARG 14 -12.653 33.960 -11.510 118 HH12 ARG 14 2HH1 ARG 14 -12.487 35.677 -11.353 119 HH21 ARG 14 1HH2 ARG 14 -9.038 35.581 -10.786 120 HH22 ARG 14 2HH2 ARG 14 -10.430 36.598 -10.942 121 H THR 15 H THR 15 -7.749 31.398 -13.998 122 HA THR 15 HA THR 15 -7.215 30.869 -16.640 123 HB THR 15 HB THR 15 -5.829 32.420 -15.442 124 HG1 THR 15 HG1 THR 15 -4.474 31.777 -16.951 125 HG21 THR 15 1HG2 THR 15 -5.702 30.324 -13.504 126 HG22 THR 15 2HG2 THR 15 -5.170 31.999 -13.357 127 HG23 THR 15 3HG2 THR 15 -4.063 30.772 -13.972 128 H GLY 16 H GLY 16 -7.500 28.875 -17.487 129 HA2 GLY 16 2HA GLY 16 -7.507 26.442 -17.107 130 HA3 GLY 16 3HA GLY 16 -6.077 26.909 -18.016 131 H LYS 17 H LYS 17 -7.280 26.263 -14.753 132 HA LYS 17 HA LYS 17 -4.664 25.135 -14.085 133 HB2 LYS 17 2HB LYS 17 -4.151 26.848 -12.745 134 HB3 LYS 17 3HB LYS 17 -5.725 27.589 -13.007 135 HG2 LYS 17 2HG LYS 17 -6.684 26.369 -11.198 136 HG3 LYS 17 3HG LYS 17 -5.231 25.383 -11.023 137 HD2 LYS 17 2HD LYS 17 -4.710 28.250 -10.858 138 HD3 LYS 17 3HD LYS 17 -5.806 27.666 -9.603 139 HE2 LYS 17 2HE LYS 17 -3.836 27.250 -8.552 140 HE3 LYS 17 3HE LYS 17 -3.970 25.744 -9.458 141 HZ1 LYS 17 1HZ LYS 17 -2.728 27.363 -11.212 142 HZ2 LYS 17 2HZ LYS 17 -1.941 26.272 -10.187 143 HZ3 LYS 17 3HZ LYS 17 -2.078 27.900 -9.745 144 H CYS 18 H CYS 18 -4.915 23.163 -13.283 145 HA CYS 18 HA CYS 18 -7.159 22.573 -11.521 146 HB2 CYS 18 2HB CYS 18 -6.598 20.944 -14.008 147 HB3 CYS 18 3HB CYS 18 -7.799 20.567 -12.777 148 H GLN 19 H GLN 19 -6.497 21.395 -9.849 149 HA GLN 19 HA GLN 19 -4.516 19.329 -10.120 150 HB2 GLN 19 2HB GLN 19 -3.886 21.841 -8.567 151 HB3 GLN 19 3HB GLN 19 -3.001 20.333 -8.383 152 HG2 GLN 19 2HG GLN 19 -2.508 20.454 -10.849 153 HG3 GLN 19 3HG GLN 19 -3.163 22.091 -10.812 154 HE21 GLN 19 1HE2 GLN 19 -0.954 22.554 -11.595 155 HE22 GLN 19 2HE2 GLN 19 0.283 22.823 -10.420 156 H ARG 20 H ARG 20 -4.039 18.319 -7.935 157 HA ARG 20 HA ARG 20 -6.561 18.028 -6.531 158 HB2 ARG 20 2HB ARG 20 -5.655 16.060 -5.585 159 HB3 ARG 20 3HB ARG 20 -5.074 16.093 -7.245 160 HG2 ARG 20 2HG ARG 20 -3.066 15.704 -6.370 161 HG3 ARG 20 3HG ARG 20 -3.084 17.404 -5.896 162 HD2 ARG 20 2HD ARG 20 -2.838 16.684 -3.800 163 HD3 ARG 20 3HD ARG 20 -4.518 16.160 -3.894 164 HE ARG 20 HE ARG 20 -2.997 14.113 -4.961 165 HH11 ARG 20 1HH1 ARG 20 -3.301 15.758 -1.908 166 HH12 ARG 20 2HH1 ARG 20 -2.832 14.379 -0.970 167 HH21 ARG 20 1HH2 ARG 20 -2.379 12.290 -3.737 168 HH22 ARG 20 2HH2 ARG 20 -2.307 12.407 -2.011 169 H ALA 21 H ALA 21 -6.353 17.696 -4.062 170 HA ALA 21 HA ALA 21 -4.399 19.359 -2.743 171 HB1 ALA 21 1HB ALA 21 -5.626 21.230 -3.043 172 HB2 ALA 21 2HB ALA 21 -7.124 20.337 -3.309 173 HB3 ALA 21 3HB ALA 21 -6.529 20.593 -1.668 Start of MODEL 17 1 H1 GLY 1 H GLY 1 6.820 -1.078 -5.696 2 HA2 GLY 1 2HA GLY 1 4.493 -0.278 -5.574 3 HA3 GLY 1 3HA GLY 1 4.968 -0.517 -7.249 4 H SER 2 H SER 2 2.691 -1.249 -4.918 5 HA SER 2 HA SER 2 1.782 -3.647 -6.361 6 HB2 SER 2 2HB SER 2 0.349 -3.027 -3.895 7 HB3 SER 2 3HB SER 2 1.147 -4.521 -4.385 8 HG SER 2 HG SER 2 2.134 -2.366 -2.918 9 H LYS 3 H LYS 3 0.423 -0.786 -4.719 10 HA LYS 3 HA LYS 3 -1.466 -0.475 -6.931 11 HB2 LYS 3 2HB LYS 3 -2.273 -1.679 -4.608 12 HB3 LYS 3 3HB LYS 3 -2.664 0.007 -4.290 13 HG2 LYS 3 2HG LYS 3 -3.799 -0.059 -6.608 14 HG3 LYS 3 3HG LYS 3 -3.737 -1.812 -6.405 15 HD2 LYS 3 2HD LYS 3 -4.905 -1.534 -4.222 16 HD3 LYS 3 3HD LYS 3 -5.077 0.185 -4.583 17 HE2 LYS 3 2HE LYS 3 -6.833 -0.191 -5.900 18 HE3 LYS 3 3HE LYS 3 -5.972 -1.444 -6.794 19 HZ1 LYS 3 1HZ LYS 3 -7.642 -2.662 -5.873 20 HZ2 LYS 3 2HZ LYS 3 -7.758 -1.700 -4.487 21 HZ3 LYS 3 3HZ LYS 3 -6.493 -2.814 -4.640 22 H LYS 4 H LYS 4 -1.479 1.559 -7.607 23 HA LYS 4 HA LYS 4 -0.917 3.703 -5.673 24 HB2 LYS 4 2HB LYS 4 0.291 4.868 -7.601 25 HB3 LYS 4 3HB LYS 4 1.130 3.534 -6.820 26 HG2 LYS 4 2HG LYS 4 0.993 2.191 -8.646 27 HG3 LYS 4 3HG LYS 4 -0.529 2.900 -9.192 28 HD2 LYS 4 2HD LYS 4 0.505 4.486 -10.416 29 HD3 LYS 4 3HD LYS 4 1.778 4.725 -9.217 30 HE2 LYS 4 2HE LYS 4 2.871 2.671 -9.974 31 HE3 LYS 4 3HE LYS 4 1.595 2.427 -11.165 32 HZ1 LYS 4 1HZ LYS 4 2.780 3.650 -12.559 33 HZ2 LYS 4 2HZ LYS 4 3.926 4.009 -11.367 34 HZ3 LYS 4 3HZ LYS 4 2.563 4.994 -11.553 35 HA PRO 5 HA PRO 5 -4.849 4.562 -7.939 36 HB2 PRO 5 2HB PRO 5 -6.156 5.505 -5.754 37 HB3 PRO 5 3HB PRO 5 -6.082 3.787 -6.161 38 HG2 PRO 5 2HG PRO 5 -4.452 5.337 -4.186 39 HG3 PRO 5 3HG PRO 5 -5.189 3.733 -4.015 40 HD2 PRO 5 2HD PRO 5 -2.562 4.077 -4.572 41 HD3 PRO 5 3HD PRO 5 -3.493 2.691 -5.176 42 H VAL 6 H VAL 6 -6.213 6.707 -7.644 43 HA VAL 6 HA VAL 6 -4.574 9.007 -6.965 44 HB VAL 6 HB VAL 6 -5.596 8.592 -9.778 45 HG11 VAL 6 1HG1 VAL 6 -3.940 10.832 -9.684 46 HG12 VAL 6 2HG1 VAL 6 -5.691 10.812 -9.897 47 HG13 VAL 6 3HG1 VAL 6 -5.000 10.987 -8.284 48 HG21 VAL 6 1HG2 VAL 6 -3.183 8.791 -10.366 49 HG22 VAL 6 2HG2 VAL 6 -2.805 8.726 -8.645 50 HG23 VAL 6 3HG2 VAL 6 -3.575 7.348 -9.431 51 HA PRO 7 HA PRO 7 -8.713 10.134 -5.726 52 HB2 PRO 7 2HB PRO 7 -8.000 12.457 -4.517 53 HB3 PRO 7 3HB PRO 7 -7.765 10.873 -3.768 54 HG2 PRO 7 2HG PRO 7 -5.791 12.593 -5.221 55 HG3 PRO 7 3HG PRO 7 -5.581 11.672 -3.720 56 HD2 PRO 7 2HD PRO 7 -4.685 10.780 -6.115 57 HD3 PRO 7 3HD PRO 7 -5.252 9.684 -4.839 58 H ILE 8 H ILE 8 -10.243 11.720 -6.297 59 HA ILE 8 HA ILE 8 -9.958 12.832 -8.864 60 HB ILE 8 HB ILE 8 -12.079 14.053 -8.346 61 HG12 ILE 8 2HG1 ILE 8 -13.178 13.196 -6.155 62 HG13 ILE 8 3HG1 ILE 8 -11.528 12.864 -5.640 63 HG21 ILE 8 1HG2 ILE 8 -13.373 11.855 -7.857 64 HG22 ILE 8 2HG2 ILE 8 -12.438 12.001 -9.344 65 HG23 ILE 8 3HG2 ILE 8 -11.782 11.103 -7.975 66 HD11 ILE 8 1HD1 ILE 8 -12.037 15.559 -6.715 67 HD12 ILE 8 2HD1 ILE 8 -12.786 15.170 -5.166 68 HD13 ILE 8 3HD1 ILE 8 -11.038 15.042 -5.357 69 H ILE 9 H ILE 9 -10.134 15.110 -9.457 70 HA ILE 9 HA ILE 9 -8.933 16.930 -7.482 71 HB ILE 9 HB ILE 9 -7.426 17.848 -9.063 72 HG12 ILE 9 2HG1 ILE 9 -7.478 16.484 -11.411 73 HG13 ILE 9 3HG1 ILE 9 -9.192 16.497 -11.010 74 HG21 ILE 9 1HG2 ILE 9 -6.024 15.938 -9.659 75 HG22 ILE 9 2HG2 ILE 9 -6.682 15.766 -8.033 76 HG23 ILE 9 3HG2 ILE 9 -7.379 14.848 -9.368 77 HD11 ILE 9 1HD1 ILE 9 -8.852 19.024 -10.648 78 HD12 ILE 9 2HD1 ILE 9 -7.369 18.793 -11.574 79 HD13 ILE 9 3HD1 ILE 9 -8.929 18.397 -12.294 80 H ALA 10 H ALA 10 -9.385 19.166 -7.796 81 HA ALA 10 HA ALA 10 -11.903 19.613 -9.234 82 HB1 ALA 10 1HB ALA 10 -12.139 21.605 -7.812 83 HB2 ALA 10 2HB ALA 10 -11.968 20.126 -6.866 84 HB3 ALA 10 3HB ALA 10 -10.598 21.223 -7.043 85 H CYS 11 H CYS 11 -12.068 21.021 -10.886 86 HA CYS 11 HA CYS 11 -9.609 22.149 -11.943 87 HB2 CYS 11 2HB CYS 11 -12.008 21.143 -13.062 88 HB3 CYS 11 3HB CYS 11 -11.919 22.847 -13.496 89 H ASN 12 H ASN 12 -9.477 24.370 -12.664 90 HA ASN 12 HA ASN 12 -11.182 26.199 -11.106 91 HB2 ASN 12 2HB ASN 12 -8.881 25.961 -10.149 92 HB3 ASN 12 3HB ASN 12 -8.234 26.588 -11.662 93 HD21 ASN 12 1HD2 ASN 12 -7.437 28.502 -11.081 94 HD22 ASN 12 2HD2 ASN 12 -8.341 29.768 -10.329 95 H ARG 13 H ARG 13 -11.879 28.035 -12.114 96 HA ARG 13 HA ARG 13 -11.654 28.082 -14.995 97 HB2 ARG 13 2HB ARG 13 -13.247 29.680 -13.001 98 HB3 ARG 13 3HB ARG 13 -13.208 30.102 -14.707 99 HG2 ARG 13 2HG ARG 13 -15.031 28.788 -14.777 100 HG3 ARG 13 3HG ARG 13 -13.828 27.502 -14.906 101 HD2 ARG 13 2HD ARG 13 -14.364 28.241 -12.150 102 HD3 ARG 13 3HD ARG 13 -15.820 27.714 -12.995 103 HE ARG 13 HE ARG 13 -13.553 25.977 -13.359 104 HH11 ARG 13 1HH1 ARG 13 -16.310 26.733 -11.372 105 HH12 ARG 13 2HH1 ARG 13 -16.432 25.137 -10.708 106 HH21 ARG 13 1HH2 ARG 13 -13.704 23.873 -12.492 107 HH22 ARG 13 2HH2 ARG 13 -14.949 23.511 -11.345 108 H ARG 14 H ARG 14 -9.181 28.504 -14.230 109 HA ARG 14 HA ARG 14 -8.728 31.307 -14.899 110 HB2 ARG 14 2HB ARG 14 -7.380 29.963 -12.548 111 HB3 ARG 14 3HB ARG 14 -7.051 31.586 -13.140 112 HG2 ARG 14 2HG ARG 14 -9.706 30.674 -12.055 113 HG3 ARG 14 3HG ARG 14 -8.477 31.530 -11.122 114 HD2 ARG 14 2HD ARG 14 -8.992 32.915 -13.583 115 HD3 ARG 14 3HD ARG 14 -10.505 32.633 -12.722 116 HE ARG 14 HE ARG 14 -8.401 33.678 -11.063 117 HH11 ARG 14 1HH1 ARG 14 -11.001 34.472 -13.239 118 HH12 ARG 14 2HH1 ARG 14 -11.222 36.067 -12.600 119 HH21 ARG 14 1HH2 ARG 14 -8.683 35.776 -10.214 120 HH22 ARG 14 2HH2 ARG 14 -9.902 36.808 -10.880 121 H THR 15 H THR 15 -5.904 31.166 -14.410 122 HA THR 15 HA THR 15 -4.941 30.299 -16.832 123 HB THR 15 HB THR 15 -3.579 31.720 -15.459 124 HG1 THR 15 HG1 THR 15 -2.205 29.234 -15.567 125 HG21 THR 15 1HG2 THR 15 -4.230 29.838 -13.411 126 HG22 THR 15 2HG2 THR 15 -3.443 31.410 -13.259 127 HG23 THR 15 3HG2 THR 15 -2.476 29.962 -13.537 128 H GLY 16 H GLY 16 -5.395 28.301 -17.593 129 HA2 GLY 16 2HA GLY 16 -5.910 25.950 -17.073 130 HA3 GLY 16 3HA GLY 16 -4.264 26.091 -17.671 131 H LYS 17 H LYS 17 -6.208 25.974 -14.719 132 HA LYS 17 HA LYS 17 -4.028 24.516 -13.422 133 HB2 LYS 17 2HB LYS 17 -3.508 26.250 -12.112 134 HB3 LYS 17 3HB LYS 17 -4.836 27.202 -12.761 135 HG2 LYS 17 2HG LYS 17 -6.349 26.338 -11.135 136 HG3 LYS 17 3HG LYS 17 -5.162 25.154 -10.582 137 HD2 LYS 17 2HD LYS 17 -3.940 27.693 -10.407 138 HD3 LYS 17 3HD LYS 17 -5.557 27.851 -9.716 139 HE2 LYS 17 2HE LYS 17 -4.559 27.083 -7.849 140 HE3 LYS 17 3HE LYS 17 -4.774 25.510 -8.617 141 HZ1 LYS 17 1HZ LYS 17 -2.590 25.265 -8.848 142 HZ2 LYS 17 2HZ LYS 17 -2.411 26.570 -7.787 143 HZ3 LYS 17 3HZ LYS 17 -2.376 26.828 -9.458 144 H CYS 18 H CYS 18 -4.784 22.699 -12.573 145 HA CYS 18 HA CYS 18 -7.411 22.652 -11.314 146 HB2 CYS 18 2HB CYS 18 -6.648 20.715 -13.510 147 HB3 CYS 18 3HB CYS 18 -8.123 20.659 -12.551 148 H GLN 19 H GLN 19 -7.328 21.555 -9.467 149 HA GLN 19 HA GLN 19 -5.731 19.184 -9.165 150 HB2 GLN 19 2HB GLN 19 -4.999 21.705 -7.673 151 HB3 GLN 19 3HB GLN 19 -4.453 20.101 -7.203 152 HG2 GLN 19 2HG GLN 19 -3.451 19.895 -9.504 153 HG3 GLN 19 3HG GLN 19 -3.796 21.611 -9.714 154 HE21 GLN 19 1HE2 GLN 19 -1.559 19.374 -8.673 155 HE22 GLN 19 2HE2 GLN 19 -0.512 20.430 -7.795 156 H ARG 20 H ARG 20 -5.902 18.333 -6.869 157 HA ARG 20 HA ARG 20 -8.669 18.589 -6.039 158 HB2 ARG 20 2HB ARG 20 -8.342 16.606 -4.796 159 HB3 ARG 20 3HB ARG 20 -7.433 16.381 -6.284 160 HG2 ARG 20 2HG ARG 20 -5.567 17.487 -4.610 161 HG3 ARG 20 3HG ARG 20 -6.515 16.470 -3.524 162 HD2 ARG 20 2HD ARG 20 -6.244 14.655 -5.323 163 HD3 ARG 20 3HD ARG 20 -4.965 15.683 -5.969 164 HE ARG 20 HE ARG 20 -3.620 14.972 -4.272 165 HH11 ARG 20 1HH1 ARG 20 -6.935 14.419 -3.365 166 HH12 ARG 20 2HH1 ARG 20 -6.532 13.589 -1.898 167 HH21 ARG 20 1HH2 ARG 20 -3.076 13.881 -2.344 168 HH22 ARG 20 2HH2 ARG 20 -4.337 13.285 -1.318 169 H ALA 21 H ALA 21 -9.036 18.476 -3.567 170 HA ALA 21 HA ALA 21 -9.046 19.625 -1.601 171 HB1 ALA 21 1HB ALA 21 -6.189 20.190 -1.504 172 HB2 ALA 21 2HB ALA 21 -7.197 19.241 -0.410 173 HB3 ALA 21 3HB ALA 21 -6.553 18.505 -1.878 Start of MODEL 18 1 H1 GLY 1 H GLY 1 4.510 -0.080 -4.518 2 HA2 GLY 1 2HA GLY 1 5.286 -2.483 -5.513 3 HA3 GLY 1 3HA GLY 1 4.793 -2.270 -3.839 4 H SER 2 H SER 2 2.036 -1.639 -4.472 5 HA SER 2 HA SER 2 1.126 -4.265 -5.451 6 HB2 SER 2 2HB SER 2 0.939 -3.490 -2.858 7 HB3 SER 2 3HB SER 2 -0.591 -2.874 -3.483 8 HG SER 2 HG SER 2 0.204 -5.451 -3.030 9 H LYS 3 H LYS 3 -0.274 -1.099 -4.586 10 HA LYS 3 HA LYS 3 -1.402 -0.902 -7.277 11 HB2 LYS 3 2HB LYS 3 -3.060 -0.535 -4.776 12 HB3 LYS 3 3HB LYS 3 -3.617 -0.345 -6.433 13 HG2 LYS 3 2HG LYS 3 -4.353 -2.445 -6.147 14 HG3 LYS 3 3HG LYS 3 -2.684 -2.870 -6.533 15 HD2 LYS 3 2HD LYS 3 -2.296 -3.636 -4.467 16 HD3 LYS 3 3HD LYS 3 -3.071 -2.239 -3.716 17 HE2 LYS 3 2HE LYS 3 -4.940 -3.387 -3.332 18 HE3 LYS 3 3HE LYS 3 -5.010 -3.953 -5.000 19 HZ1 LYS 3 1HZ LYS 3 -4.705 -5.616 -3.025 20 HZ2 LYS 3 2HZ LYS 3 -3.074 -5.196 -3.184 21 HZ3 LYS 3 3HZ LYS 3 -3.906 -5.867 -4.495 22 H LYS 4 H LYS 4 -1.445 1.134 -8.067 23 HA LYS 4 HA LYS 4 -0.708 3.307 -6.217 24 HB2 LYS 4 2HB LYS 4 0.306 4.382 -8.293 25 HB3 LYS 4 3HB LYS 4 1.156 2.993 -7.628 26 HG2 LYS 4 2HG LYS 4 0.815 1.749 -9.460 27 HG3 LYS 4 3HG LYS 4 -0.835 2.337 -9.678 28 HD2 LYS 4 2HD LYS 4 -0.031 4.364 -10.698 29 HD3 LYS 4 3HD LYS 4 1.642 3.926 -10.343 30 HE2 LYS 4 2HE LYS 4 0.128 1.926 -11.873 31 HE3 LYS 4 3HE LYS 4 0.387 3.457 -12.706 32 HZ1 LYS 4 1HZ LYS 4 2.267 2.312 -13.272 33 HZ2 LYS 4 2HZ LYS 4 2.356 1.477 -11.804 34 HZ3 LYS 4 3HZ LYS 4 2.817 3.103 -11.881 35 HA PRO 5 HA PRO 5 -4.856 4.344 -7.964 36 HB2 PRO 5 2HB PRO 5 -5.812 5.386 -5.647 37 HB3 PRO 5 3HB PRO 5 -5.881 3.661 -6.025 38 HG2 PRO 5 2HG PRO 5 -3.927 5.149 -4.313 39 HG3 PRO 5 3HG PRO 5 -4.716 3.589 -4.013 40 HD2 PRO 5 2HD PRO 5 -2.172 3.784 -4.918 41 HD3 PRO 5 3HD PRO 5 -3.244 2.442 -5.365 42 H VAL 6 H VAL 6 -6.037 6.542 -7.681 43 HA VAL 6 HA VAL 6 -4.260 8.782 -7.168 44 HB VAL 6 HB VAL 6 -5.469 8.339 -9.902 45 HG11 VAL 6 1HG1 VAL 6 -3.965 10.684 -8.750 46 HG12 VAL 6 2HG1 VAL 6 -4.279 10.456 -10.472 47 HG13 VAL 6 3HG1 VAL 6 -5.624 10.664 -9.349 48 HG21 VAL 6 1HG2 VAL 6 -3.121 8.362 -10.662 49 HG22 VAL 6 2HG2 VAL 6 -2.597 8.426 -8.979 50 HG23 VAL 6 3HG2 VAL 6 -3.468 7.015 -9.578 51 HA PRO 7 HA PRO 7 -8.263 10.129 -5.719 52 HB2 PRO 7 2HB PRO 7 -7.376 12.449 -4.623 53 HB3 PRO 7 3HB PRO 7 -7.166 10.876 -3.844 54 HG2 PRO 7 2HG PRO 7 -5.211 12.465 -5.461 55 HG3 PRO 7 3HG PRO 7 -4.951 11.576 -3.949 56 HD2 PRO 7 2HD PRO 7 -4.241 10.581 -6.365 57 HD3 PRO 7 3HD PRO 7 -4.778 9.545 -5.026 58 H ILE 8 H ILE 8 -9.796 11.603 -6.391 59 HA ILE 8 HA ILE 8 -9.503 12.738 -8.947 60 HB ILE 8 HB ILE 8 -11.670 13.890 -8.457 61 HG12 ILE 8 2HG1 ILE 8 -12.777 12.989 -6.290 62 HG13 ILE 8 3HG1 ILE 8 -11.127 12.702 -5.749 63 HG21 ILE 8 1HG2 ILE 8 -12.829 11.565 -7.878 64 HG22 ILE 8 2HG2 ILE 8 -12.103 11.895 -9.450 65 HG23 ILE 8 3HG2 ILE 8 -11.208 10.973 -8.242 66 HD11 ILE 8 1HD1 ILE 8 -12.460 14.967 -5.281 67 HD12 ILE 8 2HD1 ILE 8 -10.705 14.894 -5.451 68 HD13 ILE 8 3HD1 ILE 8 -11.704 15.387 -6.818 69 H ILE 9 H ILE 9 -9.746 15.015 -9.529 70 HA ILE 9 HA ILE 9 -8.629 16.857 -7.525 71 HB ILE 9 HB ILE 9 -7.130 17.833 -9.080 72 HG12 ILE 9 2HG1 ILE 9 -7.108 16.483 -11.437 73 HG13 ILE 9 3HG1 ILE 9 -8.827 16.441 -11.060 74 HG21 ILE 9 1HG2 ILE 9 -6.321 15.780 -8.056 75 HG22 ILE 9 2HG2 ILE 9 -6.995 14.836 -9.384 76 HG23 ILE 9 3HG2 ILE 9 -5.670 15.960 -9.685 77 HD11 ILE 9 1HD1 ILE 9 -7.069 18.796 -11.584 78 HD12 ILE 9 2HD1 ILE 9 -8.609 18.358 -12.325 79 HD13 ILE 9 3HD1 ILE 9 -8.568 18.975 -10.674 80 H ALA 10 H ALA 10 -9.147 19.080 -7.830 81 HA ALA 10 HA ALA 10 -11.658 19.459 -9.300 82 HB1 ALA 10 1HB ALA 10 -11.976 21.432 -7.868 83 HB2 ALA 10 2HB ALA 10 -11.772 19.952 -6.930 84 HB3 ALA 10 3HB ALA 10 -10.435 21.092 -7.080 85 H CYS 11 H CYS 11 -11.844 20.872 -10.945 86 HA CYS 11 HA CYS 11 -9.408 22.084 -11.960 87 HB2 CYS 11 2HB CYS 11 -11.759 21.012 -13.119 88 HB3 CYS 11 3HB CYS 11 -11.717 22.721 -13.540 89 H ASN 12 H ASN 12 -9.336 24.314 -12.664 90 HA ASN 12 HA ASN 12 -11.119 26.077 -11.117 91 HB2 ASN 12 2HB ASN 12 -8.825 25.905 -10.131 92 HB3 ASN 12 3HB ASN 12 -8.178 26.563 -11.631 93 HD21 ASN 12 1HD2 ASN 12 -7.449 28.498 -11.027 94 HD22 ASN 12 2HD2 ASN 12 -8.403 29.729 -10.279 95 H ARG 13 H ARG 13 -11.862 27.897 -12.121 96 HA ARG 13 HA ARG 13 -11.601 27.971 -15.000 97 HB2 ARG 13 2HB ARG 13 -13.278 29.815 -14.831 98 HB3 ARG 13 3HB ARG 13 -13.802 28.304 -14.099 99 HG2 ARG 13 2HG ARG 13 -13.490 29.133 -11.918 100 HG3 ARG 13 3HG ARG 13 -12.571 30.524 -12.497 101 HD2 ARG 13 2HD ARG 13 -14.444 31.708 -12.617 102 HD3 ARG 13 3HD ARG 13 -15.091 30.559 -13.788 103 HE ARG 13 HE ARG 13 -15.747 30.747 -10.990 104 HH11 ARG 13 1HH1 ARG 13 -15.708 28.704 -13.808 105 HH12 ARG 13 2HH1 ARG 13 -16.961 27.658 -13.228 106 HH21 ARG 13 1HH2 ARG 13 -17.399 29.378 -10.215 107 HH22 ARG 13 2HH2 ARG 13 -17.923 28.043 -11.184 108 H ARG 14 H ARG 14 -9.153 28.466 -14.199 109 HA ARG 14 HA ARG 14 -8.780 31.286 -14.845 110 HB2 ARG 14 2HB ARG 14 -7.421 29.973 -12.485 111 HB3 ARG 14 3HB ARG 14 -7.139 31.610 -13.061 112 HG2 ARG 14 2HG ARG 14 -9.779 30.603 -12.023 113 HG3 ARG 14 3HG ARG 14 -8.591 31.485 -11.061 114 HD2 ARG 14 2HD ARG 14 -8.869 33.448 -12.315 115 HD3 ARG 14 3HD ARG 14 -9.672 32.593 -13.631 116 HE ARG 14 HE ARG 14 -11.342 32.214 -11.537 117 HH11 ARG 14 1HH1 ARG 14 -9.880 35.038 -12.956 118 HH12 ARG 14 2HH1 ARG 14 -11.189 36.090 -12.529 119 HH21 ARG 14 1HH2 ARG 14 -13.071 33.590 -10.970 120 HH22 ARG 14 2HH2 ARG 14 -13.003 35.265 -11.399 121 H THR 15 H THR 15 -5.961 31.232 -14.318 122 HA THR 15 HA THR 15 -4.937 30.412 -16.731 123 HB THR 15 HB THR 15 -3.640 31.867 -15.330 124 HG1 THR 15 HG1 THR 15 -1.615 30.527 -15.262 125 HG21 THR 15 1HG2 THR 15 -4.257 29.948 -13.304 126 HG22 THR 15 2HG2 THR 15 -3.528 31.544 -13.129 127 HG23 THR 15 3HG2 THR 15 -2.506 30.133 -13.403 128 H GLY 16 H GLY 16 -5.316 28.406 -17.511 129 HA2 GLY 16 2HA GLY 16 -5.764 26.037 -17.013 130 HA3 GLY 16 3HA GLY 16 -4.115 26.234 -17.588 131 H LYS 17 H LYS 17 -6.094 26.034 -14.664 132 HA LYS 17 HA LYS 17 -3.886 24.637 -13.347 133 HB2 LYS 17 2HB LYS 17 -3.440 26.378 -12.019 134 HB3 LYS 17 3HB LYS 17 -4.789 27.292 -12.679 135 HG2 LYS 17 2HG LYS 17 -6.295 26.367 -11.079 136 HG3 LYS 17 3HG LYS 17 -5.078 25.219 -10.518 137 HD2 LYS 17 2HD LYS 17 -5.291 27.077 -8.959 138 HD3 LYS 17 3HD LYS 17 -3.698 27.083 -9.719 139 HE2 LYS 17 2HE LYS 17 -5.469 28.623 -11.327 140 HE3 LYS 17 3HE LYS 17 -5.639 29.153 -9.654 141 HZ1 LYS 17 1HZ LYS 17 -3.919 30.435 -10.564 142 HZ2 LYS 17 2HZ LYS 17 -3.186 29.105 -11.310 143 HZ3 LYS 17 3HZ LYS 17 -3.133 29.265 -9.626 144 H CYS 18 H CYS 18 -4.595 22.791 -12.520 145 HA CYS 18 HA CYS 18 -7.236 22.652 -11.297 146 HB2 CYS 18 2HB CYS 18 -6.381 20.754 -13.494 147 HB3 CYS 18 3HB CYS 18 -7.867 20.645 -12.557 148 H GLN 19 H GLN 19 -7.143 21.545 -9.456 149 HA GLN 19 HA GLN 19 -5.473 19.225 -9.148 150 HB2 GLN 19 2HB GLN 19 -4.848 21.758 -7.627 151 HB3 GLN 19 3HB GLN 19 -4.256 20.169 -7.161 152 HG2 GLN 19 2HG GLN 19 -3.211 20.015 -9.446 153 HG3 GLN 19 3HG GLN 19 -3.615 21.718 -9.652 154 HE21 GLN 19 1HE2 GLN 19 -1.034 20.187 -9.414 155 HE22 GLN 19 2HE2 GLN 19 -0.147 21.031 -8.196 156 H ARG 20 H ARG 20 -5.650 18.350 -6.862 157 HA ARG 20 HA ARG 20 -8.436 18.509 -6.071 158 HB2 ARG 20 2HB ARG 20 -8.061 16.528 -4.836 159 HB3 ARG 20 3HB ARG 20 -7.126 16.344 -6.315 160 HG2 ARG 20 2HG ARG 20 -5.548 15.670 -4.849 161 HG3 ARG 20 3HG ARG 20 -5.236 17.405 -4.765 162 HD2 ARG 20 2HD ARG 20 -6.321 17.628 -2.721 163 HD3 ARG 20 3HD ARG 20 -7.219 16.124 -2.926 164 HE ARG 20 HE ARG 20 -4.558 16.431 -1.866 165 HH11 ARG 20 1HH1 ARG 20 -6.842 14.255 -3.337 166 HH12 ARG 20 2HH1 ARG 20 -6.082 12.828 -2.715 167 HH21 ARG 20 1HH2 ARG 20 -3.547 14.560 -1.041 168 HH22 ARG 20 2HH2 ARG 20 -4.208 13.002 -1.408 169 H ALA 21 H ALA 21 -8.887 18.430 -3.643 170 HA ALA 21 HA ALA 21 -7.039 19.947 -2.002 171 HB1 ALA 21 1HB ALA 21 -9.111 21.270 -3.415 172 HB2 ALA 21 2HB ALA 21 -9.529 21.278 -1.701 173 HB3 ALA 21 3HB ALA 21 -7.983 21.939 -2.235 Start of MODEL 19 1 H1 GLY 1 H GLY 1 5.545 -0.509 -6.375 2 HA2 GLY 1 2HA GLY 1 5.618 -2.367 -4.355 3 HA3 GLY 1 3HA GLY 1 4.576 -0.952 -4.336 4 H SER 2 H SER 2 2.404 -1.157 -4.836 5 HA SER 2 HA SER 2 1.411 -3.850 -5.436 6 HB2 SER 2 2HB SER 2 1.126 -3.886 -3.112 7 HB3 SER 2 3HB SER 2 0.721 -2.171 -3.039 8 HG SER 2 HG SER 2 -1.290 -2.684 -3.305 9 H LYS 3 H LYS 3 -0.140 -0.796 -4.481 10 HA LYS 3 HA LYS 3 -1.253 -0.542 -7.180 11 HB2 LYS 3 2HB LYS 3 -2.762 -1.657 -5.230 12 HB3 LYS 3 3HB LYS 3 -3.133 0.043 -4.971 13 HG2 LYS 3 2HG LYS 3 -3.347 -0.259 -7.707 14 HG3 LYS 3 3HG LYS 3 -4.021 -1.757 -7.061 15 HD2 LYS 3 2HD LYS 3 -4.837 1.032 -6.244 16 HD3 LYS 3 3HD LYS 3 -5.738 -0.023 -7.336 17 HE2 LYS 3 2HE LYS 3 -6.032 -1.646 -5.546 18 HE3 LYS 3 3HE LYS 3 -5.082 -0.639 -4.455 19 HZ1 LYS 3 1HZ LYS 3 -6.784 0.783 -4.141 20 HZ2 LYS 3 2HZ LYS 3 -7.725 -0.554 -4.572 21 HZ3 LYS 3 3HZ LYS 3 -7.370 0.635 -5.721 22 H LYS 4 H LYS 4 -1.132 1.477 -7.915 23 HA LYS 4 HA LYS 4 -0.696 3.639 -5.961 24 HB2 LYS 4 2HB LYS 4 0.405 4.810 -7.950 25 HB3 LYS 4 3HB LYS 4 1.281 3.470 -7.223 26 HG2 LYS 4 2HG LYS 4 0.592 1.996 -9.001 27 HG3 LYS 4 3HG LYS 4 -0.418 3.263 -9.700 28 HD2 LYS 4 2HD LYS 4 1.749 4.634 -9.842 29 HD3 LYS 4 3HD LYS 4 2.578 3.099 -9.573 30 HE2 LYS 4 2HE LYS 4 0.588 3.610 -11.780 31 HE3 LYS 4 3HE LYS 4 2.338 3.703 -11.972 32 HZ1 LYS 4 1HZ LYS 4 2.220 1.306 -10.987 33 HZ2 LYS 4 2HZ LYS 4 1.935 1.569 -12.633 34 HZ3 LYS 4 3HZ LYS 4 0.634 1.348 -11.574 35 HA PRO 5 HA PRO 5 -4.746 4.535 -7.993 36 HB2 PRO 5 2HB PRO 5 -5.921 5.470 -5.731 37 HB3 PRO 5 3HB PRO 5 -5.880 3.754 -6.153 38 HG2 PRO 5 2HG PRO 5 -4.131 5.282 -4.264 39 HG3 PRO 5 3HG PRO 5 -4.867 3.681 -4.061 40 HD2 PRO 5 2HD PRO 5 -2.273 4.015 -4.766 41 HD3 PRO 5 3HD PRO 5 -3.245 2.638 -5.324 42 H VAL 6 H VAL 6 -6.061 6.675 -7.694 43 HA VAL 6 HA VAL 6 -4.409 8.971 -7.034 44 HB VAL 6 HB VAL 6 -5.468 8.561 -9.834 45 HG11 VAL 6 1HG1 VAL 6 -5.710 10.812 -9.658 46 HG12 VAL 6 2HG1 VAL 6 -4.519 10.952 -8.364 47 HG13 VAL 6 3HG1 VAL 6 -3.989 10.768 -10.037 48 HG21 VAL 6 1HG2 VAL 6 -3.453 7.315 -9.543 49 HG22 VAL 6 2HG2 VAL 6 -3.048 8.778 -10.441 50 HG23 VAL 6 3HG2 VAL 6 -2.669 8.665 -8.722 51 HA PRO 7 HA PRO 7 -8.530 10.104 -5.741 52 HB2 PRO 7 2HB PRO 7 -7.797 12.425 -4.539 53 HB3 PRO 7 3HB PRO 7 -7.556 10.840 -3.795 54 HG2 PRO 7 2HG PRO 7 -5.598 12.558 -5.271 55 HG3 PRO 7 3HG PRO 7 -5.370 11.635 -3.774 56 HD2 PRO 7 2HD PRO 7 -4.506 10.745 -6.181 57 HD3 PRO 7 3HD PRO 7 -5.059 9.648 -4.899 58 H ILE 8 H ILE 8 -10.067 11.685 -6.299 59 HA ILE 8 HA ILE 8 -9.807 12.804 -8.866 60 HB ILE 8 HB ILE 8 -11.927 14.019 -8.325 61 HG12 ILE 8 2HG1 ILE 8 -13.003 13.155 -6.127 62 HG13 ILE 8 3HG1 ILE 8 -11.349 12.823 -5.627 63 HG21 ILE 8 1HG2 ILE 8 -13.157 11.752 -7.738 64 HG22 ILE 8 2HG2 ILE 8 -12.402 12.018 -9.309 65 HG23 ILE 8 3HG2 ILE 8 -11.560 11.083 -8.073 66 HD11 ILE 8 1HD1 ILE 8 -10.861 15.002 -5.341 67 HD12 ILE 8 2HD1 ILE 8 -11.873 15.521 -6.689 68 HD13 ILE 8 3HD1 ILE 8 -12.608 15.126 -5.136 69 H ILE 9 H ILE 9 -9.990 15.082 -9.452 70 HA ILE 9 HA ILE 9 -8.778 16.901 -7.483 71 HB ILE 9 HB ILE 9 -7.285 17.825 -9.073 72 HG12 ILE 9 2HG1 ILE 9 -7.350 16.464 -11.423 73 HG13 ILE 9 3HG1 ILE 9 -9.061 16.472 -11.010 74 HG21 ILE 9 1HG2 ILE 9 -5.883 15.919 -9.681 75 HG22 ILE 9 2HG2 ILE 9 -6.531 15.742 -8.051 76 HG23 ILE 9 3HG2 ILE 9 -7.234 14.826 -9.384 77 HD11 ILE 9 1HD1 ILE 9 -8.814 18.376 -12.292 78 HD12 ILE 9 2HD1 ILE 9 -8.722 19.000 -10.644 79 HD13 ILE 9 3HD1 ILE 9 -7.248 18.772 -11.585 80 H ALA 10 H ALA 10 -9.237 19.136 -7.789 81 HA ALA 10 HA ALA 10 -11.767 19.581 -9.209 82 HB1 ALA 10 1HB ALA 10 -11.816 20.089 -6.840 83 HB2 ALA 10 2HB ALA 10 -10.449 21.189 -7.023 84 HB3 ALA 10 3HB ALA 10 -11.995 21.571 -7.780 85 H CYS 11 H CYS 11 -11.946 20.991 -10.857 86 HA CYS 11 HA CYS 11 -9.497 22.126 -11.930 87 HB2 CYS 11 2HB CYS 11 -11.903 21.118 -13.033 88 HB3 CYS 11 3HB CYS 11 -11.820 22.823 -13.464 89 H ASN 12 H ASN 12 -9.374 24.349 -12.648 90 HA ASN 12 HA ASN 12 -11.070 26.172 -11.074 91 HB2 ASN 12 2HB ASN 12 -8.762 25.936 -10.135 92 HB3 ASN 12 3HB ASN 12 -8.128 26.568 -11.652 93 HD21 ASN 12 1HD2 ASN 12 -7.330 28.482 -11.074 94 HD22 ASN 12 2HD2 ASN 12 -8.231 29.745 -10.312 95 H ARG 13 H ARG 13 -11.779 28.009 -12.073 96 HA ARG 13 HA ARG 13 -11.576 28.061 -14.956 97 HB2 ARG 13 2HB ARG 13 -13.121 29.747 -12.984 98 HB3 ARG 13 3HB ARG 13 -13.168 30.005 -14.723 99 HG2 ARG 13 2HG ARG 13 -15.039 28.720 -14.396 100 HG3 ARG 13 3HG ARG 13 -13.839 27.490 -14.799 101 HD2 ARG 13 2HD ARG 13 -13.575 26.875 -12.525 102 HD3 ARG 13 3HD ARG 13 -14.468 28.290 -11.968 103 HE ARG 13 HE ARG 13 -16.298 26.988 -13.453 104 HH11 ARG 13 1HH1 ARG 13 -14.167 25.958 -10.900 105 HH12 ARG 13 2HH1 ARG 13 -15.240 24.727 -10.323 106 HH21 ARG 13 1HH2 ARG 13 -17.720 25.370 -12.703 107 HH22 ARG 13 2HH2 ARG 13 -17.261 24.393 -11.350 108 H ARG 14 H ARG 14 -9.098 28.486 -14.209 109 HA ARG 14 HA ARG 14 -8.655 31.291 -14.877 110 HB2 ARG 14 2HB ARG 14 -7.287 29.948 -12.539 111 HB3 ARG 14 3HB ARG 14 -6.968 31.573 -13.130 112 HG2 ARG 14 2HG ARG 14 -9.615 30.653 -12.032 113 HG3 ARG 14 3HG ARG 14 -8.380 31.502 -11.100 114 HD2 ARG 14 2HD ARG 14 -8.623 33.466 -12.362 115 HD3 ARG 14 3HD ARG 14 -9.484 32.630 -13.653 116 HE ARG 14 HE ARG 14 -11.118 32.316 -11.525 117 HH11 ARG 14 1HH1 ARG 14 -9.587 35.088 -12.969 118 HH12 ARG 14 2HH1 ARG 14 -10.847 36.186 -12.512 119 HH21 ARG 14 1HH2 ARG 14 -12.784 33.751 -10.918 120 HH22 ARG 14 2HH2 ARG 14 -12.665 35.424 -11.345 121 H THR 15 H THR 15 -5.828 31.155 -14.409 122 HA THR 15 HA THR 15 -4.879 30.293 -16.839 123 HB THR 15 HB THR 15 -3.512 31.715 -15.472 124 HG1 THR 15 HG1 THR 15 -1.519 30.392 -15.490 125 HG21 THR 15 1HG2 THR 15 -4.144 29.828 -13.423 126 HG22 THR 15 2HG2 THR 15 -3.357 31.400 -13.273 127 HG23 THR 15 3HG2 THR 15 -2.391 29.953 -13.562 128 H GLY 16 H GLY 16 -5.335 28.296 -17.600 129 HA2 GLY 16 2HA GLY 16 -5.842 25.943 -17.079 130 HA3 GLY 16 3HA GLY 16 -4.201 26.088 -17.690 131 H LYS 17 H LYS 17 -6.123 25.962 -14.724 132 HA LYS 17 HA LYS 17 -3.932 24.506 -13.445 133 HB2 LYS 17 2HB LYS 17 -3.405 26.239 -12.137 134 HB3 LYS 17 3HB LYS 17 -4.740 27.190 -12.774 135 HG2 LYS 17 2HG LYS 17 -6.239 26.319 -11.138 136 HG3 LYS 17 3HG LYS 17 -5.046 25.137 -10.596 137 HD2 LYS 17 2HD LYS 17 -4.667 28.124 -10.424 138 HD3 LYS 17 3HD LYS 17 -5.282 27.127 -9.103 139 HE2 LYS 17 2HE LYS 17 -2.975 25.827 -9.938 140 HE3 LYS 17 3HE LYS 17 -2.559 27.539 -10.008 141 HZ1 LYS 17 1HZ LYS 17 -3.985 26.797 -7.623 142 HZ2 LYS 17 2HZ LYS 17 -2.564 27.697 -7.797 143 HZ3 LYS 17 3HZ LYS 17 -2.498 26.006 -7.782 144 H CYS 18 H CYS 18 -4.678 22.686 -12.594 145 HA CYS 18 HA CYS 18 -7.296 22.632 -11.316 146 HB2 CYS 18 2HB CYS 18 -6.545 20.700 -13.521 147 HB3 CYS 18 3HB CYS 18 -8.013 20.640 -12.552 148 H GLN 19 H GLN 19 -7.197 21.532 -9.471 149 HA GLN 19 HA GLN 19 -5.594 19.163 -9.185 150 HB2 GLN 19 2HB GLN 19 -4.855 21.684 -7.695 151 HB3 GLN 19 3HB GLN 19 -4.303 20.079 -7.232 152 HG2 GLN 19 2HG GLN 19 -3.318 19.879 -9.540 153 HG3 GLN 19 3HG GLN 19 -3.667 21.595 -9.744 154 HE21 GLN 19 1HE2 GLN 19 -1.102 20.523 -9.892 155 HE22 GLN 19 2HE2 GLN 19 -0.172 21.127 -8.567 156 H ARG 20 H ARG 20 -5.746 18.309 -6.889 157 HA ARG 20 HA ARG 20 -8.507 18.559 -6.038 158 HB2 ARG 20 2HB ARG 20 -8.168 16.574 -4.801 159 HB3 ARG 20 3HB ARG 20 -7.269 16.353 -6.297 160 HG2 ARG 20 2HG ARG 20 -5.268 17.270 -4.901 161 HG3 ARG 20 3HG ARG 20 -6.261 16.782 -3.526 162 HD2 ARG 20 2HD ARG 20 -6.303 14.673 -5.420 163 HD3 ARG 20 3HD ARG 20 -4.625 15.173 -5.212 164 HE ARG 20 HE ARG 20 -6.252 13.787 -3.318 165 HH11 ARG 20 1HH1 ARG 20 -3.621 16.044 -3.648 166 HH12 ARG 20 2HH1 ARG 20 -2.922 15.653 -2.112 167 HH21 ARG 20 1HH2 ARG 20 -5.340 13.265 -1.293 168 HH22 ARG 20 2HH2 ARG 20 -3.900 14.072 -0.773 169 H ALA 21 H ALA 21 -8.856 18.441 -3.565 170 HA ALA 21 HA ALA 21 -8.100 20.869 -2.435 171 HB1 ALA 21 1HB ALA 21 -9.716 20.291 -1.032 172 HB2 ALA 21 2HB ALA 21 -9.717 18.658 -1.700 173 HB3 ALA 21 3HB ALA 21 -8.675 19.050 -0.333 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.884 -1.309 1.498 2 HA2 GLY 1 2HA GLY 1 -0.396 -0.029 0.124 3 HA3 GLY 1 3HA GLY 1 1.290 0.244 -0.291 4 H SER 2 H SER 2 -0.702 -0.521 -2.137 5 HA SER 2 HA SER 2 0.423 -3.083 -3.012 6 HB2 SER 2 2HB SER 2 -2.180 -3.249 -3.906 7 HB3 SER 2 3HB SER 2 -1.526 -4.099 -2.505 8 HG SER 2 HG SER 2 -2.212 -2.328 -1.221 9 H LYS 3 H LYS 3 -2.143 -0.931 -4.217 10 HA LYS 3 HA LYS 3 -0.687 -0.752 -6.762 11 HB2 LYS 3 2HB LYS 3 -3.580 -0.095 -6.178 12 HB3 LYS 3 3HB LYS 3 -2.819 -0.124 -7.764 13 HG2 LYS 3 2HG LYS 3 -2.516 -2.627 -6.307 14 HG3 LYS 3 3HG LYS 3 -4.199 -2.186 -6.602 15 HD2 LYS 3 2HD LYS 3 -3.767 -1.980 -8.973 16 HD3 LYS 3 3HD LYS 3 -2.048 -2.286 -8.716 17 HE2 LYS 3 2HE LYS 3 -2.408 -4.470 -8.888 18 HE3 LYS 3 3HE LYS 3 -3.509 -4.402 -7.513 19 HZ1 LYS 3 1HZ LYS 3 -5.329 -4.321 -8.853 20 HZ2 LYS 3 2HZ LYS 3 -4.307 -5.220 -9.856 21 HZ3 LYS 3 3HZ LYS 3 -4.519 -3.564 -10.130 22 H LYS 4 H LYS 4 -1.196 1.396 -7.959 23 HA LYS 4 HA LYS 4 -0.697 3.599 -6.069 24 HB2 LYS 4 2HB LYS 4 0.374 4.707 -8.108 25 HB3 LYS 4 3HB LYS 4 1.245 3.365 -7.377 26 HG2 LYS 4 2HG LYS 4 0.448 1.867 -9.107 27 HG3 LYS 4 3HG LYS 4 -0.506 3.170 -9.820 28 HD2 LYS 4 2HD LYS 4 1.324 4.209 -10.706 29 HD3 LYS 4 3HD LYS 4 2.400 3.641 -9.428 30 HE2 LYS 4 2HE LYS 4 1.666 1.307 -10.653 31 HE3 LYS 4 3HE LYS 4 1.733 2.432 -12.008 32 HZ1 LYS 4 1HZ LYS 4 3.892 1.791 -11.942 33 HZ2 LYS 4 2HZ LYS 4 3.884 1.472 -10.281 34 HZ3 LYS 4 3HZ LYS 4 3.991 3.067 -10.835 35 HA PRO 5 HA PRO 5 -4.783 4.509 -8.021 36 HB2 PRO 5 2HB PRO 5 -5.887 5.516 -5.754 37 HB3 PRO 5 3HB PRO 5 -5.882 3.790 -6.135 38 HG2 PRO 5 2HG PRO 5 -4.064 5.335 -4.327 39 HG3 PRO 5 3HG PRO 5 -4.818 3.751 -4.068 40 HD2 PRO 5 2HD PRO 5 -2.238 4.028 -4.845 41 HD3 PRO 5 3HD PRO 5 -3.244 2.653 -5.345 42 H VAL 6 H VAL 6 -6.078 6.692 -7.630 43 HA VAL 6 HA VAL 6 -4.331 8.962 -7.145 44 HB VAL 6 HB VAL 6 -5.622 8.532 -9.842 45 HG11 VAL 6 1HG1 VAL 6 -5.747 10.768 -9.859 46 HG12 VAL 6 2HG1 VAL 6 -4.688 10.931 -8.457 47 HG13 VAL 6 3HG1 VAL 6 -3.997 10.719 -10.066 48 HG21 VAL 6 1HG2 VAL 6 -2.736 8.615 -8.977 49 HG22 VAL 6 2HG2 VAL 6 -3.606 7.245 -9.667 50 HG23 VAL 6 3HG2 VAL 6 -3.269 8.666 -10.657 51 HA PRO 7 HA PRO 7 -8.310 10.204 -5.542 52 HB2 PRO 7 2HB PRO 7 -7.434 12.526 -4.442 53 HB3 PRO 7 3HB PRO 7 -7.165 10.948 -3.694 54 HG2 PRO 7 2HG PRO 7 -5.300 12.600 -5.352 55 HG3 PRO 7 3HG PRO 7 -4.970 11.695 -3.863 56 HD2 PRO 7 2HD PRO 7 -4.322 10.749 -6.316 57 HD3 PRO 7 3HD PRO 7 -4.791 9.684 -4.975 58 H ILE 8 H ILE 8 -9.872 11.749 -6.053 59 HA ILE 8 HA ILE 8 -9.755 12.862 -8.633 60 HB ILE 8 HB ILE 8 -11.851 14.065 -7.984 61 HG12 ILE 8 2HG1 ILE 8 -12.805 13.200 -5.731 62 HG13 ILE 8 3HG1 ILE 8 -11.124 12.881 -5.318 63 HG21 ILE 8 1HG2 ILE 8 -12.030 11.198 -7.133 64 HG22 ILE 8 2HG2 ILE 8 -13.173 12.150 -8.078 65 HG23 ILE 8 3HG2 ILE 8 -11.649 11.634 -8.798 66 HD11 ILE 8 1HD1 ILE 8 -12.373 15.178 -4.770 67 HD12 ILE 8 2HD1 ILE 8 -10.637 15.063 -5.062 68 HD13 ILE 8 3HD1 ILE 8 -11.717 15.571 -6.360 69 H ILE 9 H ILE 9 -9.981 15.136 -9.216 70 HA ILE 9 HA ILE 9 -8.681 16.969 -7.316 71 HB ILE 9 HB ILE 9 -7.277 17.896 -8.985 72 HG12 ILE 9 2HG1 ILE 9 -7.455 16.527 -11.323 73 HG13 ILE 9 3HG1 ILE 9 -9.143 16.527 -10.823 74 HG21 ILE 9 1HG2 ILE 9 -5.897 15.997 -9.660 75 HG22 ILE 9 2HG2 ILE 9 -6.456 15.823 -7.997 76 HG23 ILE 9 3HG2 ILE 9 -7.224 14.897 -9.286 77 HD11 ILE 9 1HD1 ILE 9 -7.374 18.836 -11.496 78 HD12 ILE 9 2HD1 ILE 9 -8.973 18.429 -12.121 79 HD13 ILE 9 3HD1 ILE 9 -8.801 19.058 -10.483 80 H ALA 10 H ALA 10 -9.168 19.200 -7.606 81 HA ALA 10 HA ALA 10 -11.770 19.626 -8.894 82 HB1 ALA 10 1HB ALA 10 -11.701 20.141 -6.527 83 HB2 ALA 10 2HB ALA 10 -10.351 21.248 -6.784 84 HB3 ALA 10 3HB ALA 10 -11.937 21.618 -7.461 85 H CYS 11 H CYS 11 -12.043 21.029 -10.535 86 HA CYS 11 HA CYS 11 -9.660 22.175 -11.736 87 HB2 CYS 11 2HB CYS 11 -12.112 21.148 -12.711 88 HB3 CYS 11 3HB CYS 11 -12.064 22.853 -13.150 89 H ASN 12 H ASN 12 -9.588 24.396 -12.466 90 HA ASN 12 HA ASN 12 -11.212 26.214 -10.813 91 HB2 ASN 12 2HB ASN 12 -8.858 25.995 -9.992 92 HB3 ASN 12 3HB ASN 12 -8.306 26.625 -11.541 93 HD21 ASN 12 1HD2 ASN 12 -7.490 28.546 -11.011 94 HD22 ASN 12 2HD2 ASN 12 -8.358 29.806 -10.208 95 H ARG 13 H ARG 13 -11.983 28.043 -11.779 96 HA ARG 13 HA ARG 13 -11.928 28.087 -14.669 97 HB2 ARG 13 2HB ARG 13 -13.428 29.635 -12.572 98 HB3 ARG 13 3HB ARG 13 -13.462 30.124 -14.261 99 HG2 ARG 13 2HG ARG 13 -15.226 28.774 -14.427 100 HG3 ARG 13 3HG ARG 13 -14.047 27.461 -14.423 101 HD2 ARG 13 2HD ARG 13 -14.245 27.603 -11.852 102 HD3 ARG 13 3HD ARG 13 -15.732 28.495 -12.172 103 HE ARG 13 HE ARG 13 -15.861 26.179 -13.680 104 HH11 ARG 13 1HH1 ARG 13 -15.659 27.044 -10.314 105 HH12 ARG 13 2HH1 ARG 13 -16.520 25.643 -9.768 106 HH21 ARG 13 1HH2 ARG 13 -16.995 24.331 -12.973 107 HH22 ARG 13 2HH2 ARG 13 -17.279 24.100 -11.281 108 H ARG 14 H ARG 14 -9.418 28.529 -14.051 109 HA ARG 14 HA ARG 14 -9.027 31.335 -14.748 110 HB2 ARG 14 2HB ARG 14 -7.532 30.006 -12.480 111 HB3 ARG 14 3HB ARG 14 -7.251 31.630 -13.092 112 HG2 ARG 14 2HG ARG 14 -9.831 30.699 -11.852 113 HG3 ARG 14 3HG ARG 14 -8.556 31.565 -10.993 114 HD2 ARG 14 2HD ARG 14 -9.227 32.943 -13.421 115 HD3 ARG 14 3HD ARG 14 -10.683 32.651 -12.470 116 HE ARG 14 HE ARG 14 -8.493 33.713 -10.940 117 HH11 ARG 14 1HH1 ARG 14 -11.217 34.488 -12.965 118 HH12 ARG 14 2HH1 ARG 14 -11.410 36.084 -12.318 119 HH21 ARG 14 1HH2 ARG 14 -8.737 35.812 -10.081 120 HH22 ARG 14 2HH2 ARG 14 -9.998 36.836 -10.678 121 H THR 15 H THR 15 -6.179 31.217 -14.427 122 HA THR 15 HA THR 15 -5.352 30.353 -16.901 123 HB THR 15 HB THR 15 -3.924 31.788 -15.612 124 HG1 THR 15 HG1 THR 15 -1.927 30.468 -15.722 125 HG21 THR 15 1HG2 THR 15 -2.693 30.043 -13.755 126 HG22 THR 15 2HG2 THR 15 -4.436 29.903 -13.528 127 HG23 THR 15 3HG2 THR 15 -3.658 31.481 -13.423 128 H GLY 16 H GLY 16 -5.835 28.351 -17.631 129 HA2 GLY 16 2HA GLY 16 -6.300 25.997 -17.079 130 HA3 GLY 16 3HA GLY 16 -4.693 26.150 -17.774 131 H LYS 17 H LYS 17 -6.458 26.022 -14.712 132 HA LYS 17 HA LYS 17 -4.195 24.583 -13.544 133 HB2 LYS 17 2HB LYS 17 -3.612 26.323 -12.269 134 HB3 LYS 17 3HB LYS 17 -4.983 27.264 -12.840 135 HG2 LYS 17 2HG LYS 17 -6.391 26.390 -11.126 136 HG3 LYS 17 3HG LYS 17 -5.164 25.217 -10.643 137 HD2 LYS 17 2HD LYS 17 -4.335 28.050 -10.611 138 HD3 LYS 17 3HD LYS 17 -5.539 27.582 -9.409 139 HE2 LYS 17 2HE LYS 17 -3.681 27.060 -8.221 140 HE3 LYS 17 3HE LYS 17 -3.837 25.547 -9.111 141 HZ1 LYS 17 1HZ LYS 17 -2.319 26.582 -10.807 142 HZ2 LYS 17 2HZ LYS 17 -1.606 26.209 -9.319 143 HZ3 LYS 17 3HZ LYS 17 -2.015 27.810 -9.683 144 H CYS 18 H CYS 18 -4.885 22.761 -12.650 145 HA CYS 18 HA CYS 18 -7.433 22.696 -11.238 146 HB2 CYS 18 2HB CYS 18 -6.785 20.761 -13.473 147 HB3 CYS 18 3HB CYS 18 -8.201 20.696 -12.429 148 H GLN 19 H GLN 19 -7.232 21.603 -9.398 149 HA GLN 19 HA GLN 19 -5.602 19.245 -9.188 150 HB2 GLN 19 2HB GLN 19 -4.802 21.774 -7.746 151 HB3 GLN 19 3HB GLN 19 -4.218 20.175 -7.306 152 HG2 GLN 19 2HG GLN 19 -3.352 19.972 -9.662 153 HG3 GLN 19 3HG GLN 19 -3.720 21.686 -9.852 154 HE21 GLN 19 1HE2 GLN 19 -1.606 22.303 -10.131 155 HE22 GLN 19 2HE2 GLN 19 -0.440 22.267 -8.857 156 H ARG 20 H ARG 20 -5.630 18.397 -6.884 157 HA ARG 20 HA ARG 20 -8.345 18.633 -5.893 158 HB2 ARG 20 2HB ARG 20 -7.930 16.655 -4.669 159 HB3 ARG 20 3HB ARG 20 -7.109 16.434 -6.208 160 HG2 ARG 20 2HG ARG 20 -5.134 17.533 -4.696 161 HG3 ARG 20 3HG ARG 20 -6.023 16.591 -3.497 162 HD2 ARG 20 2HD ARG 20 -4.768 14.879 -4.220 163 HD3 ARG 20 3HD ARG 20 -5.895 14.841 -5.576 164 HE ARG 20 HE ARG 20 -4.228 15.619 -6.941 165 HH11 ARG 20 1HH1 ARG 20 -3.295 16.070 -3.618 166 HH12 ARG 20 2HH1 ARG 20 -1.672 16.542 -4.001 167 HH21 ARG 20 1HH2 ARG 20 -2.095 16.239 -7.459 168 HH22 ARG 20 2HH2 ARG 20 -0.991 16.638 -6.186 169 H ALA 21 H ALA 21 -8.565 18.522 -3.404 170 HA ALA 21 HA ALA 21 -7.758 20.959 -2.323 171 HB1 ALA 21 1HB ALA 21 -9.584 20.134 -1.233 172 HB2 ALA 21 2HB ALA 21 -8.969 18.481 -1.218 173 HB3 ALA 21 3HB ALA 21 -8.326 19.671 -0.086
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