NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9980 | 1p5k | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -8.858 8.770 11.410 2 2H ALA 1 HT2 ALA 1 -9.633 9.368 10.000 3 3H ALA 1 HT3 ALA 1 -8.130 8.549 9.875 4 HA ALA 1 HA ALA 1 -9.302 6.611 10.916 5 1HB ALA 1 HB1 ALA 1 -11.662 8.246 9.995 6 2HB ALA 1 HB2 ALA 1 -11.282 7.790 11.656 7 3HB ALA 1 HB3 ALA 1 -11.724 6.552 10.481 8 H LYS 2 HN LYS 2 -9.499 8.666 8.104 9 HA LYS 2 HA LYS 2 -9.865 6.389 6.322 10 1HB LYS 2 HB2 LYS 2 -10.832 8.884 6.146 11 2HB LYS 2 HB1 LYS 2 -9.340 9.107 5.243 12 1HG LYS 2 HG2 LYS 2 -10.247 8.183 3.451 13 2HG LYS 2 HG1 LYS 2 -10.602 6.709 4.354 14 1HD LYS 2 HD2 LYS 2 -12.659 7.877 5.226 15 2HD LYS 2 HD1 LYS 2 -12.332 9.159 4.058 16 1HE LYS 2 HE2 LYS 2 -12.851 7.839 2.258 17 2HE LYS 2 HE1 LYS 2 -12.416 6.346 3.090 18 1HZ LYS 2 HZ1 LYS 2 -14.641 6.124 3.183 19 2HZ LYS 2 HZ2 LYS 2 -14.942 7.784 3.058 20 3HZ LYS 2 HZ3 LYS 2 -14.494 7.116 4.546 21 H LYS 3 HN LYS 3 -7.561 6.040 7.638 22 HA LYS 3 HA LYS 3 -5.482 6.791 5.674 23 1HB LYS 3 HB2 LYS 3 -3.888 6.383 7.646 24 2HB LYS 3 HB1 LYS 3 -4.840 7.860 7.664 25 1HG LYS 3 HG2 LYS 3 -4.870 6.965 9.859 26 2HG LYS 3 HG1 LYS 3 -6.468 6.695 9.162 27 1HD LYS 3 HD2 LYS 3 -6.243 4.454 9.201 28 2HD LYS 3 HD1 LYS 3 -4.546 4.517 8.720 29 1HE LYS 3 HE2 LYS 3 -3.802 4.761 10.896 30 2HE LYS 3 HE1 LYS 3 -5.347 5.396 11.461 31 1HZ LYS 3 HZ1 LYS 3 -6.173 3.342 11.787 32 2HZ LYS 3 HZ2 LYS 3 -4.542 2.907 11.901 33 3HZ LYS 3 HZ3 LYS 3 -5.381 2.671 10.451 34 H VAL 4 HN VAL 4 -7.375 4.361 6.029 35 HA VAL 4 HA VAL 4 -5.805 2.107 6.621 36 HB VAL 4 HB VAL 4 -8.240 1.943 6.300 37 1HG1 VAL 4 HG11 VAL 4 -8.116 3.569 4.280 38 2HG1 VAL 4 HG12 VAL 4 -9.338 2.298 4.296 39 3HG1 VAL 4 HG13 VAL 4 -7.872 2.099 3.337 40 1HG2 VAL 4 HG21 VAL 4 -6.416 0.076 5.654 41 2HG2 VAL 4 HG22 VAL 4 -7.281 0.199 4.122 42 3HG2 VAL 4 HG23 VAL 4 -8.156 -0.204 5.600 43 H PHE 5 HN PHE 5 -5.722 4.370 4.142 44 HA PHE 5 HA PHE 5 -4.806 3.263 1.876 45 1HB PHE 5 HB2 PHE 5 -5.083 5.719 2.500 46 2HB PHE 5 HB1 PHE 5 -3.465 5.619 3.179 47 HD1 PHE 5 HD1 PHE 5 -5.421 5.988 0.184 48 HD2 PHE 5 HD2 PHE 5 -1.539 5.077 1.671 49 HE1 PHE 5 HE1 PHE 5 -4.465 6.461 -2.033 50 HE2 PHE 5 HE2 PHE 5 -0.576 5.548 -0.544 51 HZ PHE 5 HZ PHE 5 -2.039 6.241 -2.399 52 H LYS 6 HN LYS 6 -3.136 3.494 4.888 53 HA LYS 6 HA LYS 6 -0.526 2.933 4.030 54 1HB LYS 6 HB2 LYS 6 -1.892 3.210 6.525 55 2HB LYS 6 HB1 LYS 6 -0.937 1.735 6.584 56 1HG LYS 6 HG2 LYS 6 1.030 2.841 6.554 57 2HG LYS 6 HG1 LYS 6 0.418 4.126 5.511 58 1HD LYS 6 HD2 LYS 6 -0.920 4.927 7.504 59 2HD LYS 6 HD1 LYS 6 0.027 3.800 8.478 60 1HE LYS 6 HE2 LYS 6 1.285 5.890 6.718 61 2HE LYS 6 HE1 LYS 6 0.850 6.198 8.398 62 1HZ LYS 6 HZ1 LYS 6 3.225 5.298 7.668 63 2HZ LYS 6 HZ2 LYS 6 2.441 3.815 7.884 64 3HZ LYS 6 HZ3 LYS 6 2.527 4.919 9.162 65 H ARG 7 HN ARG 7 -3.123 0.775 5.153 66 HA ARG 7 HA ARG 7 -1.671 -1.623 4.829 67 1HB ARG 7 HB2 ARG 7 -4.345 -0.865 5.523 68 2HB ARG 7 HB1 ARG 7 -4.419 -2.119 4.292 69 1HG ARG 7 HG2 ARG 7 -2.781 -3.415 5.752 70 2HG ARG 7 HG1 ARG 7 -3.173 -2.248 7.016 71 1HD ARG 7 HD2 ARG 7 -5.027 -3.368 7.500 72 2HD ARG 7 HD1 ARG 7 -5.602 -3.163 5.846 73 HE ARG 7 HE ARG 7 -4.987 -5.325 5.393 74 1HH1 ARG 7 HH11 ARG 7 -3.545 -4.338 8.415 75 2HH1 ARG 7 HH12 ARG 7 -2.993 -5.929 8.816 76 1HH2 ARG 7 HH21 ARG 7 -4.262 -7.420 5.919 77 2HH2 ARG 7 HH22 ARG 7 -3.400 -7.679 7.399 78 H LEU 8 HN LEU 8 -3.753 0.239 2.676 79 HA LEU 8 HA LEU 8 -3.693 -1.573 0.505 80 1HB LEU 8 HB2 LEU 8 -4.209 1.389 0.698 81 2HB LEU 8 HB1 LEU 8 -4.228 0.546 -0.840 82 HG LEU 8 HG LEU 8 -5.986 -0.287 1.457 83 1HD1 LEU 8 HD11 LEU 8 -7.571 1.238 0.953 84 2HD1 LEU 8 HD12 LEU 8 -7.146 1.276 -0.758 85 3HD1 LEU 8 HD13 LEU 8 -6.179 2.176 0.410 86 1HD2 LEU 8 HD21 LEU 8 -5.811 -0.906 -1.465 87 2HD2 LEU 8 HD22 LEU 8 -7.343 -1.066 -0.606 88 3HD2 LEU 8 HD23 LEU 8 -5.942 -2.007 -0.093 89 H GLU 9 HN GLU 9 -1.698 1.203 1.431 90 HA GLU 9 HA GLU 9 -0.041 1.200 -0.852 91 1HB GLU 9 HB2 GLU 9 -0.214 3.039 0.861 92 2HB GLU 9 HB1 GLU 9 0.742 2.038 1.945 93 1HG GLU 9 HG2 GLU 9 2.643 2.177 0.560 94 2HG GLU 9 HG1 GLU 9 1.710 2.843 -0.779 95 H LYS 10 HN LYS 10 -0.148 -0.788 1.995 96 HA LYS 10 HA LYS 10 2.508 -1.802 1.828 97 1HB LYS 10 HB2 LYS 10 0.511 -1.961 3.682 98 2HB LYS 10 HB1 LYS 10 0.449 -3.571 2.977 99 1HG LYS 10 HG2 LYS 10 1.950 -3.934 4.645 100 2HG LYS 10 HG1 LYS 10 3.056 -3.463 3.353 101 1HD LYS 10 HD2 LYS 10 2.378 -1.047 4.456 102 2HD LYS 10 HD1 LYS 10 2.411 -2.109 5.865 103 1HE LYS 10 HE2 LYS 10 4.610 -1.574 5.834 104 2HE LYS 10 HE1 LYS 10 4.671 -2.903 4.677 105 1HZ LYS 10 HZ1 LYS 10 4.573 -0.001 4.074 106 2HZ LYS 10 HZ2 LYS 10 4.382 -1.204 2.900 107 3HZ LYS 10 HZ3 LYS 10 5.839 -1.076 3.749 108 H SER 11 HN SER 11 -0.620 -2.820 0.553 109 HA SER 11 HA SER 11 0.304 -5.275 -0.548 110 1HB SER 11 HB2 SER 11 -2.103 -3.650 -1.400 111 2HB SER 11 HB1 SER 11 -1.836 -5.371 -1.676 112 HG SER 11 HG SER 11 -2.346 -4.037 0.762 113 H PHE 12 HN PHE 12 -0.020 -1.988 -1.778 114 HA PHE 12 HA PHE 12 0.748 -2.738 -4.458 115 1HB PHE 12 HB2 PHE 12 -0.714 -0.685 -3.530 116 2HB PHE 12 HB1 PHE 12 0.857 0.105 -3.607 117 HD1 PHE 12 HD1 PHE 12 1.947 0.506 -5.726 118 HD2 PHE 12 HD2 PHE 12 -1.844 -1.419 -5.538 119 HE1 PHE 12 HE1 PHE 12 1.643 0.878 -8.139 120 HE2 PHE 12 HE2 PHE 12 -2.154 -1.052 -7.951 121 HZ PHE 12 HZ PHE 12 -0.410 0.098 -9.255 122 H SER 13 HN SER 13 2.318 -1.703 -1.557 123 HA SER 13 HA SER 13 4.637 -0.530 -2.521 124 1HB SER 13 HB2 SER 13 3.764 -1.763 -0.032 125 2HB SER 13 HB1 SER 13 5.482 -2.028 -0.331 126 HG SER 13 HG SER 13 5.809 0.147 -0.389 127 H LYS 14 HN LYS 14 3.790 -3.937 -2.248 128 HA LYS 14 HA LYS 14 6.318 -5.036 -2.751 129 1HB LYS 14 HB2 LYS 14 4.402 -6.348 -1.938 130 2HB LYS 14 HB1 LYS 14 3.605 -6.147 -3.492 131 1HG LYS 14 HG2 LYS 14 4.732 -7.834 -4.397 132 2HG LYS 14 HG1 LYS 14 6.273 -7.242 -3.775 133 1HD LYS 14 HD2 LYS 14 5.104 -8.161 -1.501 134 2HD LYS 14 HD1 LYS 14 4.454 -9.285 -2.697 135 1HE LYS 14 HE2 LYS 14 7.337 -8.726 -2.913 136 2HE LYS 14 HE1 LYS 14 6.840 -9.588 -1.457 137 1HZ LYS 14 HZ1 LYS 14 6.059 -11.369 -2.677 138 2HZ LYS 14 HZ2 LYS 14 7.437 -10.924 -3.552 139 3HZ LYS 14 HZ3 LYS 14 5.903 -10.476 -4.107 140 H ILE 15 HN ILE 15 3.836 -3.811 -4.916 141 HA ILE 15 HA ILE 15 4.981 -4.800 -7.319 142 HB ILE 15 HB ILE 15 3.204 -2.382 -7.017 143 1HG1 ILE 15 HG12 ILE 15 2.380 -4.551 -5.924 144 2HG1 ILE 15 HG11 ILE 15 1.309 -3.784 -7.086 145 1HG2 ILE 15 HG21 ILE 15 4.239 -2.587 -9.204 146 2HG2 ILE 15 HG22 ILE 15 2.512 -2.927 -9.306 147 3HG2 ILE 15 HG23 ILE 15 3.674 -4.253 -9.335 148 1HD1 ILE 15 HD11 ILE 15 1.314 -6.163 -7.421 149 2HD1 ILE 15 HD12 ILE 15 3.071 -6.173 -7.571 150 3HD1 ILE 15 HD13 ILE 15 2.085 -5.378 -8.799 151 H GLN 16 HN GLN 16 5.446 -1.899 -5.411 152 HA GLN 16 HA GLN 16 6.799 -0.344 -7.321 153 1HB GLN 16 HB2 GLN 16 5.890 0.434 -5.096 154 2HB GLN 16 HB1 GLN 16 7.293 -0.310 -4.343 155 1HG GLN 16 HG2 GLN 16 8.147 1.378 -6.485 156 2HG GLN 16 HG1 GLN 16 7.064 2.273 -5.421 157 1HE2 GLN 16 HE21 GLN 16 10.196 1.527 -5.963 158 2HE2 GLN 16 HE22 GLN 16 10.836 1.742 -4.373 159 H ASN 17 HN ASN 17 7.860 -2.931 -5.224 160 HA ASN 17 HA ASN 17 10.657 -2.480 -5.600 161 1HB ASN 17 HB2 ASN 17 9.485 -3.771 -3.693 162 2HB ASN 17 HB1 ASN 17 9.446 -5.123 -4.821 163 1HD2 ASN 17 HD21 ASN 17 10.891 -6.479 -3.974 164 2HD2 ASN 17 HD22 ASN 17 12.549 -6.099 -3.670 165 H ASP 18 HN ASP 18 8.258 -4.642 -7.051 166 HA ASP 18 HA ASP 18 10.258 -5.641 -8.932 167 1HB ASP 18 HB2 ASP 18 8.402 -7.172 -9.661 168 2HB ASP 18 HB1 ASP 18 8.877 -7.353 -7.975 169 H LYS 19 HN LYS 19 9.722 -2.964 -9.277 170 HA LYS 19 HA LYS 19 7.697 -2.542 -11.259 171 1HB LYS 19 HB2 LYS 19 9.010 -0.889 -9.569 172 2HB LYS 19 HB1 LYS 19 9.924 -0.606 -11.044 173 1HG LYS 19 HG2 LYS 19 6.928 -0.410 -10.906 174 2HG LYS 19 HG1 LYS 19 8.007 0.959 -10.627 175 1HD LYS 19 HD2 LYS 19 9.020 0.141 -12.941 176 2HD LYS 19 HD1 LYS 19 7.387 -0.498 -13.141 177 1HE LYS 19 HE2 LYS 19 7.564 2.272 -12.154 178 2HE LYS 19 HE1 LYS 19 8.125 2.015 -13.806 179 1HZ LYS 19 HZ1 LYS 19 5.434 1.685 -12.684 180 2HZ LYS 19 HZ2 LYS 19 5.890 0.713 -13.992 181 3HZ LYS 19 HZ3 LYS 19 5.913 2.398 -14.142 182 1HN NH2 20 NH1 NH2 20 11.218 -2.832 -11.305 183 2HN NH2 20 NH2 NH2 20 11.362 -3.083 -13.008 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 -10.433 3.539 8.185 2 2H ALA 1 HT2 ALA 1 -11.631 4.407 7.315 3 3H ALA 1 HT3 ALA 1 -11.935 3.902 8.927 4 HA ALA 1 HA ALA 1 -11.458 6.070 9.204 5 1HB ALA 1 HB1 ALA 1 -8.708 4.861 9.369 6 2HB ALA 1 HB2 ALA 1 -9.990 4.501 10.525 7 3HB ALA 1 HB3 ALA 1 -9.393 6.152 10.357 8 H LYS 2 HN LYS 2 -9.273 7.618 8.931 9 HA LYS 2 HA LYS 2 -9.218 8.099 6.043 10 1HB LYS 2 HB2 LYS 2 -9.789 9.829 7.997 11 2HB LYS 2 HB1 LYS 2 -8.044 10.045 7.963 12 1HG LYS 2 HG2 LYS 2 -8.541 11.601 6.423 13 2HG LYS 2 HG1 LYS 2 -8.583 10.213 5.334 14 1HD LYS 2 HD2 LYS 2 -10.824 10.314 5.084 15 2HD LYS 2 HD1 LYS 2 -11.093 10.770 6.768 16 1HE LYS 2 HE2 LYS 2 -10.917 13.001 6.337 17 2HE LYS 2 HE1 LYS 2 -9.793 12.764 4.999 18 1HZ LYS 2 HZ1 LYS 2 -11.984 11.652 3.995 19 2HZ LYS 2 HZ2 LYS 2 -11.604 13.288 3.795 20 3HZ LYS 2 HZ3 LYS 2 -12.698 12.816 4.995 21 H LYS 3 HN LYS 3 -7.574 6.041 7.373 22 HA LYS 3 HA LYS 3 -5.000 6.892 6.276 23 1HB LYS 3 HB2 LYS 3 -5.181 7.256 8.862 24 2HB LYS 3 HB1 LYS 3 -5.004 5.508 8.942 25 1HG LYS 3 HG2 LYS 3 -2.963 6.113 7.294 26 2HG LYS 3 HG1 LYS 3 -3.033 7.585 8.265 27 1HD LYS 3 HD2 LYS 3 -3.150 4.962 9.666 28 2HD LYS 3 HD1 LYS 3 -1.598 5.495 9.017 29 1HE LYS 3 HE2 LYS 3 -2.436 7.758 10.240 30 2HE LYS 3 HE1 LYS 3 -3.168 6.536 11.280 31 1HZ LYS 3 HZ1 LYS 3 -1.162 6.611 12.263 32 2HZ LYS 3 HZ2 LYS 3 -0.369 7.205 10.893 33 3HZ LYS 3 HZ3 LYS 3 -0.712 5.554 11.021 34 H VAL 4 HN VAL 4 -7.290 4.858 5.810 35 HA VAL 4 HA VAL 4 -6.265 2.267 6.136 36 HB VAL 4 HB VAL 4 -7.853 3.187 3.736 37 1HG1 VAL 4 HG11 VAL 4 -6.911 0.902 3.674 38 2HG1 VAL 4 HG12 VAL 4 -8.674 0.919 3.679 39 3HG1 VAL 4 HG13 VAL 4 -7.792 0.527 5.155 40 1HG2 VAL 4 HG21 VAL 4 -9.743 2.215 5.382 41 2HG2 VAL 4 HG22 VAL 4 -9.328 3.926 5.282 42 3HG2 VAL 4 HG23 VAL 4 -8.648 2.927 6.567 43 H PHE 5 HN PHE 5 -5.337 4.881 4.229 44 HA PHE 5 HA PHE 5 -4.133 4.011 1.987 45 1HB PHE 5 HB2 PHE 5 -4.201 6.346 3.045 46 2HB PHE 5 HB1 PHE 5 -2.757 5.857 3.920 47 HD1 PHE 5 HD1 PHE 5 -4.139 6.751 0.659 48 HD2 PHE 5 HD2 PHE 5 -0.641 5.570 2.776 49 HE1 PHE 5 HE1 PHE 5 -2.755 7.425 -1.260 50 HE2 PHE 5 HE2 PHE 5 0.750 6.243 0.861 51 HZ PHE 5 HZ PHE 5 -0.307 7.172 -1.160 52 H LYS 6 HN LYS 6 -3.115 3.493 5.245 53 HA LYS 6 HA LYS 6 -0.484 2.642 4.823 54 1HB LYS 6 HB2 LYS 6 -1.447 3.144 7.053 55 2HB LYS 6 HB1 LYS 6 -2.419 1.682 6.943 56 1HG LYS 6 HG2 LYS 6 -0.661 0.963 8.223 57 2HG LYS 6 HG1 LYS 6 -0.114 0.512 6.607 58 1HD LYS 6 HD2 LYS 6 0.605 3.229 7.508 59 2HD LYS 6 HD1 LYS 6 1.388 1.898 8.363 60 1HE LYS 6 HE2 LYS 6 1.429 2.453 5.402 61 2HE LYS 6 HE1 LYS 6 2.784 2.538 6.526 62 1HZ LYS 6 HZ1 LYS 6 3.139 0.490 5.656 63 2HZ LYS 6 HZ2 LYS 6 1.505 0.200 5.330 64 3HZ LYS 6 HZ3 LYS 6 2.094 0.038 6.908 65 H ARG 7 HN ARG 7 -3.525 0.800 4.923 66 HA ARG 7 HA ARG 7 -2.358 -1.725 4.452 67 1HB ARG 7 HB2 ARG 7 -5.117 -0.605 4.028 68 2HB ARG 7 HB1 ARG 7 -4.716 -2.231 3.494 69 1HG ARG 7 HG2 ARG 7 -3.817 -1.927 6.173 70 2HG ARG 7 HG1 ARG 7 -5.485 -1.359 6.072 71 1HD ARG 7 HD2 ARG 7 -6.295 -3.422 5.686 72 2HD ARG 7 HD1 ARG 7 -4.949 -3.862 4.636 73 HE ARG 7 HE ARG 7 -3.824 -3.864 7.088 74 1HH1 ARG 7 HH11 ARG 7 -6.696 -5.370 5.798 75 2HH1 ARG 7 HH12 ARG 7 -6.620 -6.725 6.874 76 1HH2 ARG 7 HH21 ARG 7 -3.723 -5.645 8.504 77 2HH2 ARG 7 HH22 ARG 7 -4.932 -6.881 8.410 78 H LEU 8 HN LEU 8 -3.626 0.769 2.296 79 HA LEU 8 HA LEU 8 -3.246 -0.668 -0.110 80 1HB LEU 8 HB2 LEU 8 -4.228 1.864 0.638 81 2HB LEU 8 HB1 LEU 8 -2.893 2.178 -0.455 82 HG LEU 8 HG LEU 8 -4.277 0.210 -1.784 83 1HD1 LEU 8 HD11 LEU 8 -6.573 0.577 -1.664 84 2HD1 LEU 8 HD12 LEU 8 -6.381 2.098 -0.791 85 3HD1 LEU 8 HD13 LEU 8 -6.061 0.567 0.024 86 1HD2 LEU 8 HD21 LEU 8 -4.724 3.178 -2.061 87 2HD2 LEU 8 HD22 LEU 8 -4.907 1.949 -3.312 88 3HD2 LEU 8 HD23 LEU 8 -3.308 2.320 -2.669 89 H GLU 9 HN GLU 9 -1.225 1.541 1.770 90 HA GLU 9 HA GLU 9 0.921 1.698 -0.046 91 1HB GLU 9 HB2 GLU 9 0.336 2.760 2.451 92 2HB GLU 9 HB1 GLU 9 1.732 1.737 2.759 93 1HG GLU 9 HG2 GLU 9 1.741 3.675 0.484 94 2HG GLU 9 HG1 GLU 9 2.091 4.208 2.127 95 H LYS 10 HN LYS 10 -0.086 -0.751 2.216 96 HA LYS 10 HA LYS 10 2.381 -2.161 2.347 97 1HB LYS 10 HB2 LYS 10 0.039 -2.331 3.704 98 2HB LYS 10 HB1 LYS 10 -0.130 -3.702 2.617 99 1HG LYS 10 HG2 LYS 10 2.067 -4.536 3.412 100 2HG LYS 10 HG1 LYS 10 2.095 -3.218 4.585 101 1HD LYS 10 HD2 LYS 10 0.074 -4.057 5.625 102 2HD LYS 10 HD1 LYS 10 -0.059 -5.324 4.403 103 1HE LYS 10 HE2 LYS 10 1.562 -6.592 5.348 104 2HE LYS 10 HE1 LYS 10 2.494 -5.194 5.881 105 1HZ LYS 10 HZ1 LYS 10 1.618 -6.359 7.773 106 2HZ LYS 10 HZ2 LYS 10 0.042 -6.267 7.166 107 3HZ LYS 10 HZ3 LYS 10 0.844 -4.859 7.650 108 H SER 11 HN SER 11 -0.555 -2.546 0.390 109 HA SER 11 HA SER 11 0.438 -4.755 -1.105 110 1HB SER 11 HB2 SER 11 -1.525 -4.517 -2.457 111 2HB SER 11 HB1 SER 11 -1.999 -4.147 -0.799 112 HG SER 11 HG SER 11 -2.425 -2.165 -1.370 113 H PHE 12 HN PHE 12 0.581 -1.280 -1.462 114 HA PHE 12 HA PHE 12 1.456 -1.294 -4.181 115 1HB PHE 12 HB2 PHE 12 0.575 0.637 -2.392 116 2HB PHE 12 HB1 PHE 12 2.271 1.040 -2.632 117 HD1 PHE 12 HD1 PHE 12 -0.986 1.454 -3.868 118 HD2 PHE 12 HD2 PHE 12 3.060 1.078 -5.132 119 HE1 PHE 12 HE1 PHE 12 -1.554 2.545 -5.999 120 HE2 PHE 12 HE2 PHE 12 2.500 2.169 -7.264 121 HZ PHE 12 HZ PHE 12 0.190 2.905 -7.700 122 H SER 13 HN SER 13 3.068 -1.209 -1.045 123 HA SER 13 HA SER 13 5.662 -0.638 -1.883 124 1HB SER 13 HB2 SER 13 6.395 -1.739 0.204 125 2HB SER 13 HB1 SER 13 5.018 -0.673 0.481 126 HG SER 13 HG SER 13 5.106 -3.487 0.430 127 H LYS 14 HN LYS 14 3.934 -3.713 -1.760 128 HA LYS 14 HA LYS 14 6.126 -5.370 -2.397 129 1HB LYS 14 HB2 LYS 14 3.960 -6.176 -1.471 130 2HB LYS 14 HB1 LYS 14 3.205 -5.839 -3.023 131 1HG LYS 14 HG2 LYS 14 5.594 -7.581 -3.048 132 2HG LYS 14 HG1 LYS 14 4.117 -8.245 -2.347 133 1HD LYS 14 HD2 LYS 14 3.687 -6.841 -4.875 134 2HD LYS 14 HD1 LYS 14 4.756 -8.238 -5.016 135 1HE LYS 14 HE2 LYS 14 2.066 -8.323 -3.664 136 2HE LYS 14 HE1 LYS 14 2.313 -8.713 -5.365 137 1HZ LYS 14 HZ1 LYS 14 3.997 -10.083 -3.410 138 2HZ LYS 14 HZ2 LYS 14 3.350 -10.651 -4.865 139 3HZ LYS 14 HZ3 LYS 14 2.371 -10.546 -3.490 140 H ILE 15 HN ILE 15 3.797 -3.617 -4.376 141 HA ILE 15 HA ILE 15 4.670 -4.737 -6.856 142 HB ILE 15 HB ILE 15 3.184 -2.146 -6.453 143 1HG1 ILE 15 HG12 ILE 15 2.197 -4.219 -5.296 144 2HG1 ILE 15 HG11 ILE 15 1.147 -3.319 -6.379 145 1HG2 ILE 15 HG21 ILE 15 4.045 -2.452 -8.694 146 2HG2 ILE 15 HG22 ILE 15 2.290 -2.633 -8.693 147 3HG2 ILE 15 HG23 ILE 15 3.324 -4.060 -8.778 148 1HD1 ILE 15 HD11 ILE 15 1.326 -4.962 -8.064 149 2HD1 ILE 15 HD12 ILE 15 1.039 -5.822 -6.551 150 3HD1 ILE 15 HD13 ILE 15 2.663 -5.763 -7.238 151 H GLN 16 HN GLN 16 5.621 -2.022 -4.888 152 HA GLN 16 HA GLN 16 6.928 -0.445 -6.781 153 1HB GLN 16 HB2 GLN 16 6.454 0.028 -4.295 154 2HB GLN 16 HB1 GLN 16 7.958 -0.827 -3.980 155 1HG GLN 16 HG2 GLN 16 8.914 0.848 -5.755 156 2HG GLN 16 HG1 GLN 16 7.507 1.803 -5.291 157 1HE2 GLN 16 HE21 GLN 16 10.569 1.859 -4.830 158 2HE2 GLN 16 HE22 GLN 16 10.697 2.236 -3.149 159 H ASN 17 HN ASN 17 7.910 -3.405 -5.212 160 HA ASN 17 HA ASN 17 10.667 -3.236 -5.931 161 1HB ASN 17 HB2 ASN 17 8.980 -5.032 -4.453 162 2HB ASN 17 HB1 ASN 17 9.954 -5.954 -5.594 163 1HD2 ASN 17 HD21 ASN 17 11.036 -6.864 -3.791 164 2HD2 ASN 17 HD22 ASN 17 12.275 -5.984 -2.970 165 H ASP 18 HN ASP 18 7.848 -4.895 -7.298 166 HA ASP 18 HA ASP 18 9.442 -5.756 -9.590 167 1HB ASP 18 HB2 ASP 18 7.317 -6.958 -10.236 168 2HB ASP 18 HB1 ASP 18 8.031 -7.473 -8.711 169 H LYS 19 HN LYS 19 9.614 -4.434 -11.265 170 HA LYS 19 HA LYS 19 8.055 -2.125 -11.644 171 1HB LYS 19 HB2 LYS 19 10.400 -2.674 -12.551 172 2HB LYS 19 HB1 LYS 19 9.561 -3.504 -13.854 173 1HG LYS 19 HG2 LYS 19 8.283 -1.128 -13.889 174 2HG LYS 19 HG1 LYS 19 9.884 -0.630 -13.337 175 1HD LYS 19 HD2 LYS 19 10.775 -2.043 -15.288 176 2HD LYS 19 HD1 LYS 19 9.118 -2.006 -15.893 177 1HE LYS 19 HE2 LYS 19 9.201 0.480 -15.777 178 2HE LYS 19 HE1 LYS 19 10.906 0.358 -15.343 179 1HZ LYS 19 HZ1 LYS 19 11.493 -0.191 -17.436 180 2HZ LYS 19 HZ2 LYS 19 10.068 0.629 -17.836 181 3HZ LYS 19 HZ3 LYS 19 10.074 -1.060 -17.745 182 1HN NH2 20 NH1 NH2 20 6.069 -1.922 -12.378 183 2HN NH2 20 NH2 NH2 20 5.239 -3.020 -13.422 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 -12.304 6.039 10.265 2 2H ALA 1 HT2 ALA 1 -11.571 4.999 9.112 3 3H ALA 1 HT3 ALA 1 -12.890 5.998 8.655 4 HA ALA 1 HA ALA 1 -11.641 7.928 8.888 5 1HB ALA 1 HB1 ALA 1 -10.408 7.328 10.885 6 2HB ALA 1 HB2 ALA 1 -9.296 7.865 9.627 7 3HB ALA 1 HB3 ALA 1 -9.467 6.145 9.978 8 H LYS 2 HN LYS 2 -9.737 8.590 7.482 9 HA LYS 2 HA LYS 2 -9.714 6.850 5.124 10 1HB LYS 2 HB2 LYS 2 -10.354 9.425 5.211 11 2HB LYS 2 HB1 LYS 2 -8.612 9.620 5.062 12 1HG LYS 2 HG2 LYS 2 -9.133 7.788 3.113 13 2HG LYS 2 HG1 LYS 2 -10.591 8.781 3.081 14 1HD LYS 2 HD2 LYS 2 -7.871 10.042 3.112 15 2HD LYS 2 HD1 LYS 2 -8.584 9.466 1.604 16 1HE LYS 2 HE2 LYS 2 -9.397 11.579 1.548 17 2HE LYS 2 HE1 LYS 2 -10.659 10.859 2.546 18 1HZ LYS 2 HZ1 LYS 2 -8.268 12.281 3.587 19 2HZ LYS 2 HZ2 LYS 2 -9.533 11.647 4.513 20 3HZ LYS 2 HZ3 LYS 2 -9.820 12.946 3.468 21 H LYS 3 HN LYS 3 -8.050 6.239 7.386 22 HA LYS 3 HA LYS 3 -5.359 6.855 6.351 23 1HB LYS 3 HB2 LYS 3 -4.654 5.892 8.631 24 2HB LYS 3 HB1 LYS 3 -5.426 7.472 8.616 25 1HG LYS 3 HG2 LYS 3 -7.389 6.670 9.538 26 2HG LYS 3 HG1 LYS 3 -7.060 5.008 9.043 27 1HD LYS 3 HD2 LYS 3 -5.303 4.825 10.695 28 2HD LYS 3 HD1 LYS 3 -5.502 6.522 11.137 29 1HE LYS 3 HE2 LYS 3 -7.330 6.115 12.391 30 2HE LYS 3 HE1 LYS 3 -7.946 4.893 11.279 31 1HZ LYS 3 HZ1 LYS 3 -5.821 4.528 13.319 32 2HZ LYS 3 HZ2 LYS 3 -6.249 3.359 12.173 33 3HZ LYS 3 HZ3 LYS 3 -7.373 3.854 13.336 34 H VAL 4 HN VAL 4 -7.516 4.605 5.705 35 HA VAL 4 HA VAL 4 -6.296 2.138 6.255 36 HB VAL 4 HB VAL 4 -8.557 2.285 5.290 37 1HG1 VAL 4 HG11 VAL 4 -8.815 2.741 2.868 38 2HG1 VAL 4 HG12 VAL 4 -7.122 3.232 2.813 39 3HG1 VAL 4 HG13 VAL 4 -8.273 4.145 3.789 40 1HG2 VAL 4 HG21 VAL 4 -6.582 0.766 3.590 41 2HG2 VAL 4 HG22 VAL 4 -8.326 0.499 3.593 42 3HG2 VAL 4 HG23 VAL 4 -7.384 0.190 5.051 43 H PHE 5 HN PHE 5 -5.410 4.744 4.330 44 HA PHE 5 HA PHE 5 -3.981 3.925 2.216 45 1HB PHE 5 HB2 PHE 5 -4.275 6.264 3.212 46 2HB PHE 5 HB1 PHE 5 -2.880 5.884 4.212 47 HD1 PHE 5 HD1 PHE 5 -3.662 5.301 0.608 48 HD2 PHE 5 HD2 PHE 5 -1.042 7.044 3.472 49 HE1 PHE 5 HE1 PHE 5 -2.168 6.026 -1.207 50 HE2 PHE 5 HE2 PHE 5 0.458 7.773 1.662 51 HZ PHE 5 HZ PHE 5 -0.105 7.264 -0.681 52 H LYS 6 HN LYS 6 -3.172 3.483 5.543 53 HA LYS 6 HA LYS 6 -0.462 2.792 5.263 54 1HB LYS 6 HB2 LYS 6 -1.973 3.222 7.402 55 2HB LYS 6 HB1 LYS 6 -2.131 1.471 7.359 56 1HG LYS 6 HG2 LYS 6 0.606 2.037 7.032 57 2HG LYS 6 HG1 LYS 6 0.024 3.068 8.341 58 1HD LYS 6 HD2 LYS 6 -0.930 0.289 8.431 59 2HD LYS 6 HD1 LYS 6 0.811 0.485 8.644 60 1HE LYS 6 HE2 LYS 6 -0.532 0.521 10.763 61 2HE LYS 6 HE1 LYS 6 0.503 1.925 10.509 62 1HZ LYS 6 HZ1 LYS 6 -2.397 1.847 9.878 63 2HZ LYS 6 HZ2 LYS 6 -1.382 3.198 9.804 64 3HZ LYS 6 HZ3 LYS 6 -1.744 2.495 11.299 65 H ARG 7 HN ARG 7 -3.384 0.759 5.414 66 HA ARG 7 HA ARG 7 -2.026 -1.683 4.983 67 1HB ARG 7 HB2 ARG 7 -4.831 -0.757 4.950 68 2HB ARG 7 HB1 ARG 7 -4.496 -2.160 3.945 69 1HG ARG 7 HG2 ARG 7 -5.255 -2.761 6.203 70 2HG ARG 7 HG1 ARG 7 -3.641 -3.374 5.841 71 1HD ARG 7 HD2 ARG 7 -2.615 -1.925 7.298 72 2HD ARG 7 HD1 ARG 7 -3.904 -0.728 7.182 73 HE ARG 7 HE ARG 7 -3.745 -2.935 9.015 74 1HH1 ARG 7 HH11 ARG 7 -5.893 -0.715 7.391 75 2HH1 ARG 7 HH12 ARG 7 -7.145 -0.862 8.578 76 1HH2 ARG 7 HH21 ARG 7 -5.391 -3.129 10.578 77 2HH2 ARG 7 HH22 ARG 7 -6.860 -2.232 10.388 78 H LEU 8 HN LEU 8 -3.429 0.729 2.851 79 HA LEU 8 HA LEU 8 -3.109 -0.724 0.438 80 1HB LEU 8 HB2 LEU 8 -3.637 2.104 1.187 81 2HB LEU 8 HB1 LEU 8 -3.002 1.814 -0.421 82 HG LEU 8 HG LEU 8 -5.451 0.398 0.606 83 1HD1 LEU 8 HD11 LEU 8 -6.357 2.467 0.689 84 2HD1 LEU 8 HD12 LEU 8 -6.477 2.227 -1.055 85 3HD1 LEU 8 HD13 LEU 8 -5.142 3.163 -0.383 86 1HD2 LEU 8 HD21 LEU 8 -5.749 -0.336 -1.533 87 2HD2 LEU 8 HD22 LEU 8 -3.988 -0.247 -1.498 88 3HD2 LEU 8 HD23 LEU 8 -4.922 1.050 -2.244 89 H GLU 9 HN GLU 9 -1.099 1.587 2.213 90 HA GLU 9 HA GLU 9 0.974 1.763 0.311 91 1HB GLU 9 HB2 GLU 9 0.528 3.187 2.441 92 2HB GLU 9 HB1 GLU 9 1.458 1.947 3.271 93 1HG GLU 9 HG2 GLU 9 3.298 2.374 1.607 94 2HG GLU 9 HG1 GLU 9 2.374 3.778 1.074 95 H LYS 10 HN LYS 10 0.133 -0.644 2.678 96 HA LYS 10 HA LYS 10 2.666 -1.943 2.775 97 1HB LYS 10 HB2 LYS 10 0.458 -2.141 4.282 98 2HB LYS 10 HB1 LYS 10 0.179 -3.512 3.218 99 1HG LYS 10 HG2 LYS 10 2.883 -3.353 4.349 100 2HG LYS 10 HG1 LYS 10 1.590 -3.617 5.520 101 1HD LYS 10 HD2 LYS 10 1.404 -5.253 3.088 102 2HD LYS 10 HD1 LYS 10 2.815 -5.583 4.094 103 1HE LYS 10 HE2 LYS 10 0.196 -5.326 5.459 104 2HE LYS 10 HE1 LYS 10 0.460 -6.770 4.483 105 1HZ LYS 10 HZ1 LYS 10 1.362 -7.517 6.389 106 2HZ LYS 10 HZ2 LYS 10 1.701 -5.970 6.985 107 3HZ LYS 10 HZ3 LYS 10 2.734 -6.685 5.852 108 H SER 11 HN SER 11 -0.281 -2.407 0.872 109 HA SER 11 HA SER 11 0.654 -4.712 -0.510 110 1HB SER 11 HB2 SER 11 -1.776 -3.887 -0.224 111 2HB SER 11 HB1 SER 11 -1.429 -2.818 -1.584 112 HG SER 11 HG SER 11 -1.418 -5.645 -1.522 113 H PHE 12 HN PHE 12 0.889 -1.262 -1.049 114 HA PHE 12 HA PHE 12 1.636 -1.280 -3.751 115 1HB PHE 12 HB2 PHE 12 1.115 0.683 -2.024 116 2HB PHE 12 HB1 PHE 12 2.872 0.723 -1.925 117 HD1 PHE 12 HD1 PHE 12 -0.035 1.272 -4.073 118 HD2 PHE 12 HD2 PHE 12 4.209 1.423 -3.805 119 HE1 PHE 12 HE1 PHE 12 0.043 2.610 -6.137 120 HE2 PHE 12 HE2 PHE 12 4.296 2.762 -5.867 121 HZ PHE 12 HZ PHE 12 2.211 3.358 -7.036 122 H SER 13 HN SER 13 3.439 -1.961 -0.844 123 HA SER 13 HA SER 13 6.047 -1.649 -1.785 124 1HB SER 13 HB2 SER 13 5.336 -2.103 0.600 125 2HB SER 13 HB1 SER 13 5.148 -3.796 0.144 126 HG SER 13 HG SER 13 7.228 -4.020 0.264 127 H LYS 14 HN LYS 14 3.755 -4.270 -2.204 128 HA LYS 14 HA LYS 14 5.548 -6.201 -3.206 129 1HB LYS 14 HB2 LYS 14 2.800 -6.049 -2.684 130 2HB LYS 14 HB1 LYS 14 2.917 -6.394 -4.404 131 1HG LYS 14 HG2 LYS 14 4.631 -7.999 -2.611 132 2HG LYS 14 HG1 LYS 14 2.892 -8.291 -2.531 133 1HD LYS 14 HD2 LYS 14 3.370 -9.729 -4.217 134 2HD LYS 14 HD1 LYS 14 3.203 -8.266 -5.190 135 1HE LYS 14 HE2 LYS 14 5.240 -9.616 -5.698 136 2HE LYS 14 HE1 LYS 14 5.568 -7.945 -5.243 137 1HZ LYS 14 HZ1 LYS 14 6.833 -10.020 -4.183 138 2HZ LYS 14 HZ2 LYS 14 5.563 -9.881 -3.076 139 3HZ LYS 14 HZ3 LYS 14 6.591 -8.567 -3.352 140 H ILE 15 HN ILE 15 3.572 -3.736 -4.812 141 HA ILE 15 HA ILE 15 4.370 -4.472 -7.450 142 HB ILE 15 HB ILE 15 3.260 -1.814 -6.559 143 1HG1 ILE 15 HG12 ILE 15 1.944 -3.903 -5.846 144 2HG1 ILE 15 HG11 ILE 15 1.074 -2.665 -6.739 145 1HG2 ILE 15 HG21 ILE 15 3.103 -3.225 -9.218 146 2HG2 ILE 15 HG22 ILE 15 4.197 -1.897 -8.833 147 3HG2 ILE 15 HG23 ILE 15 2.454 -1.631 -8.834 148 1HD1 ILE 15 HD11 ILE 15 0.561 -4.091 -8.358 149 2HD1 ILE 15 HD12 ILE 15 1.170 -5.369 -7.305 150 3HD1 ILE 15 HD13 ILE 15 2.232 -4.635 -8.507 151 H GLN 16 HN GLN 16 5.698 -2.431 -4.976 152 HA GLN 16 HA GLN 16 7.244 -0.669 -6.471 153 1HB GLN 16 HB2 GLN 16 6.952 -0.490 -4.041 154 2HB GLN 16 HB1 GLN 16 7.911 -1.945 -3.812 155 1HG GLN 16 HG2 GLN 16 9.603 -0.397 -5.278 156 2HG GLN 16 HG1 GLN 16 8.753 0.808 -4.313 157 1HE2 GLN 16 HE21 GLN 16 10.879 1.149 -3.371 158 2HE2 GLN 16 HE22 GLN 16 11.397 0.130 -2.075 159 H ASN 17 HN ASN 17 7.893 -4.001 -5.514 160 HA ASN 17 HA ASN 17 10.582 -4.066 -6.408 161 1HB ASN 17 HB2 ASN 17 8.561 -6.051 -5.536 162 2HB ASN 17 HB1 ASN 17 9.858 -6.661 -6.560 163 1HD2 ASN 17 HD21 ASN 17 9.894 -4.112 -4.113 164 2HD2 ASN 17 HD22 ASN 17 11.076 -4.860 -3.098 165 H ASP 18 HN ASP 18 7.500 -4.548 -7.978 166 HA ASP 18 HA ASP 18 8.764 -5.511 -10.420 167 1HB ASP 18 HB2 ASP 18 6.001 -5.410 -9.355 168 2HB ASP 18 HB1 ASP 18 6.164 -5.247 -11.101 169 H LYS 19 HN LYS 19 9.695 -3.998 -11.638 170 HA LYS 19 HA LYS 19 8.570 -1.314 -11.762 171 1HB LYS 19 HB2 LYS 19 11.111 -2.500 -12.885 172 2HB LYS 19 HB1 LYS 19 10.621 -0.830 -13.130 173 1HG LYS 19 HG2 LYS 19 11.060 -0.235 -10.969 174 2HG LYS 19 HG1 LYS 19 10.776 -1.863 -10.348 175 1HD LYS 19 HD2 LYS 19 13.120 -1.408 -10.184 176 2HD LYS 19 HD1 LYS 19 12.883 -2.581 -11.481 177 1HE LYS 19 HE2 LYS 19 12.715 -0.251 -12.855 178 2HE LYS 19 HE1 LYS 19 13.855 0.193 -11.586 179 1HZ LYS 19 HZ1 LYS 19 15.431 -1.184 -12.393 180 2HZ LYS 19 HZ2 LYS 19 14.597 -0.955 -13.847 181 3HZ LYS 19 HZ3 LYS 19 14.326 -2.348 -12.927 182 1HN NH2 20 NH1 NH2 20 9.078 -4.115 -13.797 183 2HN NH2 20 NH2 NH2 20 8.183 -3.539 -15.158 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 -10.926 3.874 9.938 2 2H ALA 1 HT2 ALA 1 -10.433 5.517 9.998 3 3H ALA 1 HT3 ALA 1 -9.548 4.386 9.057 4 HA ALA 1 HA ALA 1 -11.576 4.030 7.739 5 1HB ALA 1 HB1 ALA 1 -12.504 6.103 9.632 6 2HB ALA 1 HB2 ALA 1 -13.397 4.806 8.838 7 3HB ALA 1 HB3 ALA 1 -13.006 6.279 7.950 8 H LYS 2 HN LYS 2 -10.079 7.088 8.762 9 HA LYS 2 HA LYS 2 -9.673 7.804 5.950 10 1HB LYS 2 HB2 LYS 2 -10.619 9.376 7.831 11 2HB LYS 2 HB1 LYS 2 -8.921 9.590 8.231 12 1HG LYS 2 HG2 LYS 2 -9.323 9.883 5.401 13 2HG LYS 2 HG1 LYS 2 -10.404 10.952 6.296 14 1HD LYS 2 HD2 LYS 2 -7.413 10.765 6.654 15 2HD LYS 2 HD1 LYS 2 -8.271 12.045 5.794 16 1HE LYS 2 HE2 LYS 2 -8.187 13.109 7.772 17 2HE LYS 2 HE1 LYS 2 -9.558 12.078 8.176 18 1HZ LYS 2 HZ1 LYS 2 -7.261 10.607 8.697 19 2HZ LYS 2 HZ2 LYS 2 -8.351 11.250 9.819 20 3HZ LYS 2 HZ3 LYS 2 -6.996 12.145 9.350 21 H LYS 3 HN LYS 3 -8.128 5.709 7.355 22 HA LYS 3 HA LYS 3 -5.470 6.731 6.676 23 1HB LYS 3 HB2 LYS 3 -6.173 6.698 9.297 24 2HB LYS 3 HB1 LYS 3 -5.547 5.064 9.125 25 1HG LYS 3 HG2 LYS 3 -3.590 6.044 9.614 26 2HG LYS 3 HG1 LYS 3 -3.592 6.453 7.897 27 1HD LYS 3 HD2 LYS 3 -3.158 8.504 8.856 28 2HD LYS 3 HD1 LYS 3 -4.915 8.558 8.694 29 1HE LYS 3 HE2 LYS 3 -5.238 8.082 10.985 30 2HE LYS 3 HE1 LYS 3 -3.555 7.604 11.200 31 1HZ LYS 3 HZ1 LYS 3 -3.387 9.683 12.004 32 2HZ LYS 3 HZ2 LYS 3 -4.737 10.256 11.161 33 3HZ LYS 3 HZ3 LYS 3 -3.249 10.109 10.372 34 H VAL 4 HN VAL 4 -7.596 4.664 5.761 35 HA VAL 4 HA VAL 4 -6.494 2.095 6.016 36 HB VAL 4 HB VAL 4 -8.716 2.461 5.023 37 1HG1 VAL 4 HG11 VAL 4 -7.580 4.466 3.609 38 2HG1 VAL 4 HG12 VAL 4 -9.131 3.727 3.208 39 3HG1 VAL 4 HG13 VAL 4 -7.664 3.205 2.379 40 1HG2 VAL 4 HG21 VAL 4 -6.990 1.188 2.920 41 2HG2 VAL 4 HG22 VAL 4 -8.624 0.750 3.418 42 3HG2 VAL 4 HG23 VAL 4 -7.260 0.435 4.491 43 H PHE 5 HN PHE 5 -5.469 4.889 4.453 44 HA PHE 5 HA PHE 5 -3.993 4.269 2.296 45 1HB PHE 5 HB2 PHE 5 -4.267 6.491 3.533 46 2HB PHE 5 HB1 PHE 5 -2.920 5.967 4.533 47 HD1 PHE 5 HD1 PHE 5 -3.745 6.158 0.893 48 HD2 PHE 5 HD2 PHE 5 -0.865 6.800 3.959 49 HE1 PHE 5 HE1 PHE 5 -2.169 7.041 -0.778 50 HE2 PHE 5 HE2 PHE 5 0.716 7.685 2.294 51 HZ PHE 5 HZ PHE 5 0.065 7.807 -0.077 52 H LYS 6 HN LYS 6 -3.316 3.450 5.580 53 HA LYS 6 HA LYS 6 -0.616 2.721 5.333 54 1HB LYS 6 HB2 LYS 6 -2.665 2.554 7.335 55 2HB LYS 6 HB1 LYS 6 -1.837 1.006 7.239 56 1HG LYS 6 HG2 LYS 6 -0.086 1.806 8.332 57 2HG LYS 6 HG1 LYS 6 0.072 3.150 7.199 58 1HD LYS 6 HD2 LYS 6 -1.060 4.590 8.541 59 2HD LYS 6 HD1 LYS 6 -2.125 3.332 9.172 60 1HE LYS 6 HE2 LYS 6 0.159 2.504 10.259 61 2HE LYS 6 HE1 LYS 6 0.546 4.218 10.111 62 1HZ LYS 6 HZ1 LYS 6 -1.841 3.109 11.489 63 2HZ LYS 6 HZ2 LYS 6 -1.440 4.747 11.369 64 3HZ LYS 6 HZ3 LYS 6 -0.452 3.699 12.255 65 H ARG 7 HN ARG 7 -3.579 0.750 5.142 66 HA ARG 7 HA ARG 7 -2.251 -1.656 4.484 67 1HB ARG 7 HB2 ARG 7 -5.074 -0.697 4.022 68 2HB ARG 7 HB1 ARG 7 -4.528 -2.291 3.519 69 1HG ARG 7 HG2 ARG 7 -3.745 -2.006 6.200 70 2HG ARG 7 HG1 ARG 7 -5.398 -1.400 6.096 71 1HD ARG 7 HD2 ARG 7 -6.256 -3.434 5.547 72 2HD ARG 7 HD1 ARG 7 -4.800 -3.938 4.691 73 HE ARG 7 HE ARG 7 -3.999 -3.886 7.268 74 1HH1 ARG 7 HH11 ARG 7 -6.714 -5.373 5.656 75 2HH1 ARG 7 HH12 ARG 7 -6.810 -6.696 6.770 76 1HH2 ARG 7 HH21 ARG 7 -4.123 -5.625 8.732 77 2HH2 ARG 7 HH22 ARG 7 -5.340 -6.839 8.516 78 H LEU 8 HN LEU 8 -3.500 1.024 2.599 79 HA LEU 8 HA LEU 8 -3.132 -0.140 0.043 80 1HB LEU 8 HB2 LEU 8 -3.366 2.692 1.027 81 2HB LEU 8 HB1 LEU 8 -3.023 2.347 -0.658 82 HG LEU 8 HG LEU 8 -5.366 0.967 0.522 83 1HD1 LEU 8 HD11 LEU 8 -6.710 3.081 -0.074 84 2HD1 LEU 8 HD12 LEU 8 -5.182 3.932 0.151 85 3HD1 LEU 8 HD13 LEU 8 -5.886 3.017 1.484 86 1HD2 LEU 8 HD21 LEU 8 -4.679 0.669 -1.820 87 2HD2 LEU 8 HD22 LEU 8 -4.909 2.396 -2.094 88 3HD2 LEU 8 HD23 LEU 8 -6.288 1.378 -1.682 89 H GLU 9 HN GLU 9 -1.117 1.882 2.140 90 HA GLU 9 HA GLU 9 1.041 2.186 0.356 91 1HB GLU 9 HB2 GLU 9 0.631 2.482 3.284 92 2HB GLU 9 HB1 GLU 9 2.291 2.298 2.734 93 1HG GLU 9 HG2 GLU 9 0.703 4.247 1.227 94 2HG GLU 9 HG1 GLU 9 0.977 4.654 2.920 95 H LYS 10 HN LYS 10 0.017 -0.449 2.381 96 HA LYS 10 HA LYS 10 2.498 -1.848 2.425 97 1HB LYS 10 HB2 LYS 10 0.185 -2.135 3.780 98 2HB LYS 10 HB1 LYS 10 -0.030 -3.391 2.569 99 1HG LYS 10 HG2 LYS 10 2.034 -4.450 3.249 100 2HG LYS 10 HG1 LYS 10 2.344 -3.153 4.405 101 1HD LYS 10 HD2 LYS 10 -0.145 -3.936 5.154 102 2HD LYS 10 HD1 LYS 10 0.536 -5.464 4.591 103 1HE LYS 10 HE2 LYS 10 2.476 -5.114 6.068 104 2HE LYS 10 HE1 LYS 10 1.741 -3.624 6.656 105 1HZ LYS 10 HZ1 LYS 10 0.336 -6.218 6.842 106 2HZ LYS 10 HZ2 LYS 10 0.041 -4.796 7.709 107 3HZ LYS 10 HZ3 LYS 10 1.423 -5.714 8.038 108 H SER 11 HN SER 11 -0.329 -1.877 0.318 109 HA SER 11 HA SER 11 0.517 -4.077 -1.275 110 1HB SER 11 HB2 SER 11 -1.834 -2.770 -1.018 111 2HB SER 11 HB1 SER 11 -1.240 -2.030 -2.505 112 HG SER 11 HG SER 11 -2.196 -4.547 -2.072 113 H PHE 12 HN PHE 12 0.953 -0.588 -1.460 114 HA PHE 12 HA PHE 12 1.957 -0.414 -4.065 115 1HB PHE 12 HB2 PHE 12 1.329 1.453 -2.357 116 2HB PHE 12 HB1 PHE 12 3.011 1.321 -1.853 117 HD1 PHE 12 HD1 PHE 12 4.782 1.501 -3.741 118 HD2 PHE 12 HD2 PHE 12 0.764 2.855 -4.099 119 HE1 PHE 12 HE1 PHE 12 5.452 2.989 -5.582 120 HE2 PHE 12 HE2 PHE 12 1.426 4.345 -5.941 121 HZ PHE 12 HZ PHE 12 3.772 4.413 -6.686 122 H SER 13 HN SER 13 3.604 -1.049 -0.997 123 HA SER 13 HA SER 13 6.235 -1.009 -1.954 124 1HB SER 13 HB2 SER 13 5.452 -1.084 0.472 125 2HB SER 13 HB1 SER 13 5.254 -2.822 0.253 126 HG SER 13 HG SER 13 7.298 -2.417 1.077 127 H LYS 14 HN LYS 14 3.757 -3.464 -2.090 128 HA LYS 14 HA LYS 14 5.473 -5.621 -2.809 129 1HB LYS 14 HB2 LYS 14 2.813 -5.366 -2.088 130 2HB LYS 14 HB1 LYS 14 2.727 -5.831 -3.781 131 1HG LYS 14 HG2 LYS 14 4.592 -7.384 -2.109 132 2HG LYS 14 HG1 LYS 14 2.874 -7.583 -1.758 133 1HD LYS 14 HD2 LYS 14 2.481 -8.087 -4.145 134 2HD LYS 14 HD1 LYS 14 4.218 -7.968 -4.433 135 1HE LYS 14 HE2 LYS 14 4.209 -10.181 -4.060 136 2HE LYS 14 HE1 LYS 14 4.143 -9.720 -2.359 137 1HZ LYS 14 HZ1 LYS 14 2.089 -10.887 -4.043 138 2HZ LYS 14 HZ2 LYS 14 1.558 -9.674 -2.991 139 3HZ LYS 14 HZ3 LYS 14 2.342 -11.041 -2.377 140 H ILE 15 HN ILE 15 3.797 -3.113 -4.570 141 HA ILE 15 HA ILE 15 4.258 -4.327 -7.150 142 HB ILE 15 HB ILE 15 3.399 -1.491 -6.587 143 1HG1 ILE 15 HG12 ILE 15 1.686 -3.958 -6.962 144 2HG1 ILE 15 HG11 ILE 15 1.896 -3.074 -5.454 145 1HG2 ILE 15 HG21 ILE 15 2.238 -1.944 -8.856 146 2HG2 ILE 15 HG22 ILE 15 3.406 -3.257 -9.001 147 3HG2 ILE 15 HG23 ILE 15 3.967 -1.594 -8.831 148 1HD1 ILE 15 HD11 ILE 15 0.911 -1.584 -7.822 149 2HD1 ILE 15 HD12 ILE 15 0.549 -1.363 -6.110 150 3HD1 ILE 15 HD13 ILE 15 -0.191 -2.691 -7.004 151 H GLN 16 HN GLN 16 5.844 -2.035 -5.067 152 HA GLN 16 HA GLN 16 7.443 -0.680 -6.908 153 1HB GLN 16 HB2 GLN 16 7.865 -1.410 -4.017 154 2HB GLN 16 HB1 GLN 16 9.050 -0.476 -4.919 155 1HG GLN 16 HG2 GLN 16 6.455 0.664 -5.291 156 2HG GLN 16 HG1 GLN 16 6.770 0.453 -3.570 157 1HE2 GLN 16 HE21 GLN 16 9.454 0.862 -3.422 158 2HE2 GLN 16 HE22 GLN 16 9.832 2.487 -3.871 159 H ASN 17 HN ASN 17 7.917 -3.794 -5.315 160 HA ASN 17 HA ASN 17 10.560 -4.227 -6.224 161 1HB ASN 17 HB2 ASN 17 9.449 -5.457 -4.340 162 2HB ASN 17 HB1 ASN 17 8.502 -6.333 -5.539 163 1HD2 ASN 17 HD21 ASN 17 9.257 -8.270 -5.929 164 2HD2 ASN 17 HD22 ASN 17 10.918 -8.744 -5.924 165 H ASP 18 HN ASP 18 7.394 -4.987 -7.570 166 HA ASP 18 HA ASP 18 8.381 -6.561 -9.730 167 1HB ASP 18 HB2 ASP 18 5.765 -5.403 -8.935 168 2HB ASP 18 HB1 ASP 18 5.977 -5.783 -10.642 169 H LYS 19 HN LYS 19 9.526 -5.826 -11.383 170 HA LYS 19 HA LYS 19 9.843 -3.083 -11.979 171 1HB LYS 19 HB2 LYS 19 11.244 -5.326 -12.577 172 2HB LYS 19 HB1 LYS 19 10.454 -5.028 -14.120 173 1HG LYS 19 HG2 LYS 19 12.284 -3.771 -14.480 174 2HG LYS 19 HG1 LYS 19 11.351 -2.558 -13.601 175 1HD LYS 19 HD2 LYS 19 13.243 -4.466 -12.244 176 2HD LYS 19 HD1 LYS 19 13.747 -2.886 -12.848 177 1HE LYS 19 HE2 LYS 19 11.561 -2.188 -11.432 178 2HE LYS 19 HE1 LYS 19 12.097 -3.589 -10.507 179 1HZ LYS 19 HZ1 LYS 19 13.343 -0.984 -10.816 180 2HZ LYS 19 HZ2 LYS 19 14.399 -2.305 -10.821 181 3HZ LYS 19 HZ3 LYS 19 13.371 -2.049 -9.502 182 1HN NH2 20 NH1 NH2 20 7.793 -5.593 -13.295 183 2HN NH2 20 NH2 NH2 20 6.901 -4.580 -14.373 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 -13.053 4.415 5.511 2 2H ALA 1 HT2 ALA 1 -12.824 6.104 5.309 3 3H ALA 1 HT3 ALA 1 -12.689 5.397 6.868 4 HA ALA 1 HA ALA 1 -10.721 4.399 6.408 5 1HB ALA 1 HB1 ALA 1 -11.253 4.935 3.489 6 2HB ALA 1 HB2 ALA 1 -11.391 3.376 4.302 7 3HB ALA 1 HB3 ALA 1 -9.816 4.155 4.148 8 H LYS 2 HN LYS 2 -10.081 6.207 7.625 9 HA LYS 2 HA LYS 2 -9.334 8.603 6.121 10 1HB LYS 2 HB2 LYS 2 -10.584 8.342 8.543 11 2HB LYS 2 HB1 LYS 2 -8.918 8.632 9.025 12 1HG LYS 2 HG2 LYS 2 -9.011 10.784 8.456 13 2HG LYS 2 HG1 LYS 2 -9.827 10.438 6.931 14 1HD LYS 2 HD2 LYS 2 -11.807 9.910 8.707 15 2HD LYS 2 HD1 LYS 2 -10.941 11.198 9.546 16 1HE LYS 2 HE2 LYS 2 -11.401 12.753 7.918 17 2HE LYS 2 HE1 LYS 2 -11.571 11.536 6.654 18 1HZ LYS 2 HZ1 LYS 2 -13.543 12.533 8.548 19 2HZ LYS 2 HZ2 LYS 2 -13.613 10.880 8.199 20 3HZ LYS 2 HZ3 LYS 2 -13.741 12.012 6.950 21 H LYS 3 HN LYS 3 -7.969 5.799 7.390 22 HA LYS 3 HA LYS 3 -5.294 6.773 6.786 23 1HB LYS 3 HB2 LYS 3 -5.746 7.230 9.246 24 2HB LYS 3 HB1 LYS 3 -5.826 5.489 9.472 25 1HG LYS 3 HG2 LYS 3 -3.602 5.246 9.369 26 2HG LYS 3 HG1 LYS 3 -3.431 6.422 8.064 27 1HD LYS 3 HD2 LYS 3 -3.145 8.171 9.496 28 2HD LYS 3 HD1 LYS 3 -4.177 7.462 10.739 29 1HE LYS 3 HE2 LYS 3 -2.458 6.421 11.743 30 2HE LYS 3 HE1 LYS 3 -1.716 5.961 10.211 31 1HZ LYS 3 HZ1 LYS 3 -0.683 7.768 11.862 32 2HZ LYS 3 HZ2 LYS 3 -1.604 8.786 10.874 33 3HZ LYS 3 HZ3 LYS 3 -0.425 7.786 10.189 34 H VAL 4 HN VAL 4 -7.405 4.623 6.009 35 HA VAL 4 HA VAL 4 -6.243 2.098 6.494 36 HB VAL 4 HB VAL 4 -7.752 2.960 4.015 37 1HG1 VAL 4 HG11 VAL 4 -8.371 0.536 3.935 38 2HG1 VAL 4 HG12 VAL 4 -7.179 0.253 5.204 39 3HG1 VAL 4 HG13 VAL 4 -6.666 0.871 3.634 40 1HG2 VAL 4 HG21 VAL 4 -8.838 1.748 6.556 41 2HG2 VAL 4 HG22 VAL 4 -9.764 2.170 5.115 42 3HG2 VAL 4 HG23 VAL 4 -9.007 3.438 6.079 43 H PHE 5 HN PHE 5 -5.303 4.779 4.715 44 HA PHE 5 HA PHE 5 -3.878 4.022 2.563 45 1HB PHE 5 HB2 PHE 5 -4.162 6.326 3.640 46 2HB PHE 5 HB1 PHE 5 -2.777 5.901 4.635 47 HD1 PHE 5 HD1 PHE 5 -0.579 6.082 3.805 48 HD2 PHE 5 HD2 PHE 5 -3.886 6.437 1.150 49 HE1 PHE 5 HE1 PHE 5 0.936 6.860 2.029 50 HE2 PHE 5 HE2 PHE 5 -2.377 7.215 -0.632 51 HZ PHE 5 HZ PHE 5 0.037 7.427 -0.193 52 H LYS 6 HN LYS 6 -3.119 3.436 5.877 53 HA LYS 6 HA LYS 6 -0.409 2.749 5.625 54 1HB LYS 6 HB2 LYS 6 -2.321 2.797 7.693 55 2HB LYS 6 HB1 LYS 6 -1.722 1.145 7.639 56 1HG LYS 6 HG2 LYS 6 0.198 3.433 7.631 57 2HG LYS 6 HG1 LYS 6 -0.542 2.893 9.140 58 1HD LYS 6 HD2 LYS 6 0.273 0.595 8.645 59 2HD LYS 6 HD1 LYS 6 1.121 1.243 7.240 60 1HE LYS 6 HE2 LYS 6 2.262 2.838 8.855 61 2HE LYS 6 HE1 LYS 6 1.610 1.832 10.148 62 1HZ LYS 6 HZ1 LYS 6 3.043 0.172 9.701 63 2HZ LYS 6 HZ2 LYS 6 3.975 1.412 9.027 64 3HZ LYS 6 HZ3 LYS 6 3.024 0.433 8.029 65 H ARG 7 HN ARG 7 -3.342 0.727 5.562 66 HA ARG 7 HA ARG 7 -1.981 -1.700 5.061 67 1HB ARG 7 HB2 ARG 7 -4.774 -0.752 4.972 68 2HB ARG 7 HB1 ARG 7 -4.413 -2.087 3.886 69 1HG ARG 7 HG2 ARG 7 -5.086 -3.186 5.789 70 2HG ARG 7 HG1 ARG 7 -3.332 -3.165 5.985 71 1HD ARG 7 HD2 ARG 7 -3.412 -1.742 7.740 72 2HD ARG 7 HD1 ARG 7 -4.781 -0.844 7.085 73 HE ARG 7 HE ARG 7 -6.146 -2.123 8.379 74 1HH1 ARG 7 HH11 ARG 7 -3.165 -3.872 7.894 75 2HH1 ARG 7 HH12 ARG 7 -3.618 -5.180 8.934 76 1HH2 ARG 7 HH21 ARG 7 -6.743 -3.844 9.747 77 2HH2 ARG 7 HH22 ARG 7 -5.648 -5.166 9.985 78 H LEU 8 HN LEU 8 -3.312 0.806 2.983 79 HA LEU 8 HA LEU 8 -2.865 -0.527 0.525 80 1HB LEU 8 HB2 LEU 8 -3.599 2.176 1.406 81 2HB LEU 8 HB1 LEU 8 -2.670 2.147 -0.081 82 HG LEU 8 HG LEU 8 -4.474 0.282 -0.712 83 1HD1 LEU 8 HD11 LEU 8 -5.671 1.863 1.507 84 2HD1 LEU 8 HD12 LEU 8 -5.863 0.157 1.102 85 3HD1 LEU 8 HD13 LEU 8 -6.692 1.388 0.149 86 1HD2 LEU 8 HD21 LEU 8 -4.370 1.959 -2.236 87 2HD2 LEU 8 HD22 LEU 8 -4.397 3.226 -1.010 88 3HD2 LEU 8 HD23 LEU 8 -5.892 2.410 -1.468 89 H GLU 9 HN GLU 9 -0.949 1.682 2.512 90 HA GLU 9 HA GLU 9 1.210 1.988 0.730 91 1HB GLU 9 HB2 GLU 9 0.684 2.504 3.577 92 2HB GLU 9 HB1 GLU 9 2.370 2.167 3.211 93 1HG GLU 9 HG2 GLU 9 2.010 3.922 1.316 94 2HG GLU 9 HG1 GLU 9 0.654 4.431 2.321 95 H LYS 10 HN LYS 10 0.281 -0.578 2.893 96 HA LYS 10 HA LYS 10 2.810 -1.884 2.992 97 1HB LYS 10 HB2 LYS 10 0.031 -2.500 3.790 98 2HB LYS 10 HB1 LYS 10 1.039 -3.895 3.430 99 1HG LYS 10 HG2 LYS 10 2.739 -2.899 5.024 100 2HG LYS 10 HG1 LYS 10 1.463 -1.787 5.524 101 1HD LYS 10 HD2 LYS 10 0.395 -4.426 5.511 102 2HD LYS 10 HD1 LYS 10 1.928 -4.454 6.385 103 1HE LYS 10 HE2 LYS 10 1.194 -2.861 7.944 104 2HE LYS 10 HE1 LYS 10 -0.161 -2.367 6.929 105 1HZ LYS 10 HZ1 LYS 10 -0.834 -4.864 7.280 106 2HZ LYS 10 HZ2 LYS 10 -1.231 -3.683 8.423 107 3HZ LYS 10 HZ3 LYS 10 0.098 -4.697 8.682 108 H SER 11 HN SER 11 -0.090 -2.274 0.995 109 HA SER 11 HA SER 11 0.934 -4.447 -0.529 110 1HB SER 11 HB2 SER 11 -0.983 -4.067 -1.995 111 2HB SER 11 HB1 SER 11 -1.487 -3.977 -0.308 112 HG SER 11 HG SER 11 -2.358 -2.186 -1.092 113 H PHE 12 HN PHE 12 1.176 -0.979 -0.756 114 HA PHE 12 HA PHE 12 1.848 -0.662 -3.438 115 1HB PHE 12 HB2 PHE 12 1.481 1.103 -1.561 116 2HB PHE 12 HB1 PHE 12 3.212 0.930 -1.288 117 HD1 PHE 12 HD1 PHE 12 4.815 1.646 -2.974 118 HD2 PHE 12 HD2 PHE 12 0.630 2.177 -3.530 119 HE1 PHE 12 HE1 PHE 12 5.263 3.240 -4.795 120 HE2 PHE 12 HE2 PHE 12 1.070 3.771 -5.352 121 HZ PHE 12 HZ PHE 12 3.389 4.304 -5.987 122 H SER 13 HN SER 13 3.740 -1.868 -0.766 123 HA SER 13 HA SER 13 6.312 -1.592 -1.820 124 1HB SER 13 HB2 SER 13 5.328 -2.558 0.506 125 2HB SER 13 HB1 SER 13 5.755 -4.070 -0.294 126 HG SER 13 HG SER 13 7.495 -1.857 0.083 127 H LYS 14 HN LYS 14 3.834 -4.017 -2.387 128 HA LYS 14 HA LYS 14 5.431 -5.888 -3.760 129 1HB LYS 14 HB2 LYS 14 2.840 -5.826 -2.920 130 2HB LYS 14 HB1 LYS 14 2.633 -5.627 -4.655 131 1HG LYS 14 HG2 LYS 14 2.565 -7.895 -4.509 132 2HG LYS 14 HG1 LYS 14 4.298 -7.665 -4.746 133 1HD LYS 14 HD2 LYS 14 4.776 -8.047 -2.489 134 2HD LYS 14 HD1 LYS 14 3.105 -7.766 -1.996 135 1HE LYS 14 HE2 LYS 14 3.951 -10.073 -3.735 136 2HE LYS 14 HE1 LYS 14 3.867 -10.170 -1.977 137 1HZ LYS 14 HZ1 LYS 14 1.850 -10.998 -3.042 138 2HZ LYS 14 HZ2 LYS 14 1.592 -9.489 -3.761 139 3HZ LYS 14 HZ3 LYS 14 1.524 -9.646 -2.078 140 H ILE 15 HN ILE 15 3.826 -2.948 -4.766 141 HA ILE 15 HA ILE 15 4.083 -3.381 -7.570 142 HB ILE 15 HB ILE 15 3.833 -0.728 -6.159 143 1HG1 ILE 15 HG12 ILE 15 2.110 -2.517 -5.519 144 2HG1 ILE 15 HG11 ILE 15 1.491 -0.981 -6.105 145 1HG2 ILE 15 HG21 ILE 15 3.106 -1.625 -8.943 146 2HG2 ILE 15 HG22 ILE 15 4.405 -0.520 -8.493 147 3HG2 ILE 15 HG23 ILE 15 2.722 -0.046 -8.257 148 1HD1 ILE 15 HD11 ILE 15 1.866 -2.830 -8.278 149 2HD1 ILE 15 HD12 ILE 15 0.410 -1.981 -7.759 150 3HD1 ILE 15 HD13 ILE 15 0.844 -3.522 -7.018 151 H GLN 16 HN GLN 16 6.136 -2.022 -5.092 152 HA GLN 16 HA GLN 16 7.924 -0.582 -6.691 153 1HB GLN 16 HB2 GLN 16 7.684 -1.159 -3.996 154 2HB GLN 16 HB1 GLN 16 9.193 -1.944 -4.440 155 1HG GLN 16 HG2 GLN 16 10.250 0.019 -4.883 156 2HG GLN 16 HG1 GLN 16 8.765 0.840 -5.361 157 1HE2 GLN 16 HE21 GLN 16 11.074 0.556 -2.997 158 2HE2 GLN 16 HE22 GLN 16 10.225 1.303 -1.691 159 H ASN 17 HN ASN 17 7.642 -4.002 -6.054 160 HA ASN 17 HA ASN 17 10.178 -4.570 -7.373 161 1HB ASN 17 HB2 ASN 17 9.140 -5.782 -5.272 162 2HB ASN 17 HB1 ASN 17 8.286 -6.714 -6.497 163 1HD2 ASN 17 HD21 ASN 17 11.409 -5.879 -5.191 164 2HD2 ASN 17 HD22 ASN 17 12.274 -7.200 -5.891 165 H ASP 18 HN ASP 18 6.743 -4.714 -7.958 166 HA ASP 18 HA ASP 18 6.691 -6.450 -10.148 167 1HB ASP 18 HB2 ASP 18 4.783 -5.173 -8.775 168 2HB ASP 18 HB1 ASP 18 4.866 -4.100 -10.169 169 H LYS 19 HN LYS 19 7.570 -3.076 -9.903 170 HA LYS 19 HA LYS 19 7.741 -2.793 -12.798 171 1HB LYS 19 HB2 LYS 19 7.839 -0.943 -10.470 172 2HB LYS 19 HB1 LYS 19 8.709 -0.461 -11.921 173 1HG LYS 19 HG2 LYS 19 6.429 -1.083 -13.085 174 2HG LYS 19 HG1 LYS 19 5.790 -0.771 -11.470 175 1HD LYS 19 HD2 LYS 19 6.223 1.453 -11.582 176 2HD LYS 19 HD1 LYS 19 7.686 1.227 -12.543 177 1HE LYS 19 HE2 LYS 19 5.175 0.511 -13.895 178 2HE LYS 19 HE1 LYS 19 5.351 2.221 -13.503 179 1HZ LYS 19 HZ1 LYS 19 7.296 2.374 -14.778 180 2HZ LYS 19 HZ2 LYS 19 6.229 1.474 -15.732 181 3HZ LYS 19 HZ3 LYS 19 7.473 0.695 -14.893 182 1HN NH2 20 NH1 NH2 20 9.498 -3.437 -13.810 183 2HN NH2 20 NH2 NH2 20 11.112 -3.396 -13.197 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 -9.098 9.063 11.230 2 2H ALA 1 HT2 ALA 1 -8.662 9.200 9.576 3 3H ALA 1 HT3 ALA 1 -8.245 7.790 10.461 4 HA ALA 1 HA ALA 1 -10.563 7.292 10.758 5 1HB ALA 1 HB1 ALA 1 -11.012 9.894 10.248 6 2HB ALA 1 HB2 ALA 1 -12.243 8.641 10.090 7 3HB ALA 1 HB3 ALA 1 -11.370 9.205 8.665 8 H LYS 2 HN LYS 2 -9.675 8.698 7.600 9 HA LYS 2 HA LYS 2 -10.109 6.080 6.373 10 1HB LYS 2 HB2 LYS 2 -10.857 8.577 5.569 11 2HB LYS 2 HB1 LYS 2 -9.379 8.352 4.644 12 1HG LYS 2 HG2 LYS 2 -11.359 6.143 4.647 13 2HG LYS 2 HG1 LYS 2 -11.739 7.600 3.727 14 1HD LYS 2 HD2 LYS 2 -9.037 6.397 3.409 15 2HD LYS 2 HD1 LYS 2 -10.408 5.585 2.649 16 1HE LYS 2 HE2 LYS 2 -9.762 7.005 0.965 17 2HE LYS 2 HE1 LYS 2 -10.966 7.995 1.788 18 1HZ LYS 2 HZ1 LYS 2 -8.549 8.875 1.198 19 2HZ LYS 2 HZ2 LYS 2 -8.218 8.229 2.725 20 3HZ LYS 2 HZ3 LYS 2 -9.407 9.418 2.552 21 H LYS 3 HN LYS 3 -7.918 5.917 7.858 22 HA LYS 3 HA LYS 3 -5.583 6.510 6.187 23 1HB LYS 3 HB2 LYS 3 -5.917 6.673 8.878 24 2HB LYS 3 HB1 LYS 3 -5.233 5.058 8.745 25 1HG LYS 3 HG2 LYS 3 -3.765 6.923 7.115 26 2HG LYS 3 HG1 LYS 3 -3.862 7.484 8.785 27 1HD LYS 3 HD2 LYS 3 -3.258 4.626 8.481 28 2HD LYS 3 HD1 LYS 3 -2.021 5.712 7.845 29 1HE LYS 3 HE2 LYS 3 -2.434 6.931 10.162 30 2HE LYS 3 HE1 LYS 3 -2.959 5.317 10.638 31 1HZ LYS 3 HZ1 LYS 3 -0.876 4.472 10.417 32 2HZ LYS 3 HZ2 LYS 3 -0.463 6.059 10.830 33 3HZ LYS 3 HZ3 LYS 3 -0.416 5.567 9.212 34 H VAL 4 HN VAL 4 -7.695 4.316 5.703 35 HA VAL 4 HA VAL 4 -6.496 1.804 6.026 36 HB VAL 4 HB VAL 4 -8.151 2.675 3.648 37 1HG1 VAL 4 HG11 VAL 4 -8.830 0.114 4.094 38 2HG1 VAL 4 HG12 VAL 4 -7.158 0.083 4.651 39 3HG1 VAL 4 HG13 VAL 4 -7.530 0.599 3.006 40 1HG2 VAL 4 HG21 VAL 4 -10.053 1.674 5.003 41 2HG2 VAL 4 HG22 VAL 4 -9.450 3.245 5.531 42 3HG2 VAL 4 HG23 VAL 4 -8.979 1.783 6.397 43 H PHE 5 HN PHE 5 -5.722 4.486 4.144 44 HA PHE 5 HA PHE 5 -4.441 3.719 1.911 45 1HB PHE 5 HB2 PHE 5 -4.665 6.034 2.971 46 2HB PHE 5 HB1 PHE 5 -3.220 5.630 3.887 47 HD1 PHE 5 HD1 PHE 5 -1.167 6.220 3.030 48 HD2 PHE 5 HD2 PHE 5 -4.446 5.714 0.365 49 HE1 PHE 5 HE1 PHE 5 0.239 6.987 1.162 50 HE2 PHE 5 HE2 PHE 5 -3.047 6.480 -1.508 51 HZ PHE 5 HZ PHE 5 -0.701 7.118 -1.112 52 H LYS 6 HN LYS 6 -3.421 3.227 5.172 53 HA LYS 6 HA LYS 6 -0.738 2.544 4.756 54 1HB LYS 6 HB2 LYS 6 -1.856 2.966 6.981 55 2HB LYS 6 HB1 LYS 6 -2.552 1.356 6.861 56 1HG LYS 6 HG2 LYS 6 -0.506 0.309 7.135 57 2HG LYS 6 HG1 LYS 6 0.404 1.741 6.651 58 1HD LYS 6 HD2 LYS 6 0.415 2.579 8.734 59 2HD LYS 6 HD1 LYS 6 -1.269 2.138 9.020 60 1HE LYS 6 HE2 LYS 6 0.051 0.895 10.557 61 2HE LYS 6 HE1 LYS 6 -0.499 -0.230 9.315 62 1HZ LYS 6 HZ1 LYS 6 1.918 -0.367 10.000 63 2HZ LYS 6 HZ2 LYS 6 2.145 1.088 9.168 64 3HZ LYS 6 HZ3 LYS 6 1.610 -0.285 8.338 65 H ARG 7 HN ARG 7 -3.656 0.510 4.862 66 HA ARG 7 HA ARG 7 -2.341 -1.933 4.367 67 1HB ARG 7 HB2 ARG 7 -5.067 -0.987 4.525 68 2HB ARG 7 HB1 ARG 7 -4.881 -2.086 3.164 69 1HG ARG 7 HG2 ARG 7 -5.450 -3.518 4.870 70 2HG ARG 7 HG1 ARG 7 -3.688 -3.615 4.884 71 1HD ARG 7 HD2 ARG 7 -4.121 -1.529 6.570 72 2HD ARG 7 HD1 ARG 7 -5.542 -2.524 6.885 73 HE ARG 7 HE ARG 7 -3.069 -3.991 6.903 74 1HH1 ARG 7 HH11 ARG 7 -5.277 -2.077 8.811 75 2HH1 ARG 7 HH12 ARG 7 -4.765 -2.759 10.317 76 1HH2 ARG 7 HH21 ARG 7 -2.394 -4.890 8.885 77 2HH2 ARG 7 HH22 ARG 7 -3.128 -4.357 10.360 78 H LEU 8 HN LEU 8 -3.745 0.507 2.239 79 HA LEU 8 HA LEU 8 -3.302 -0.872 -0.188 80 1HB LEU 8 HB2 LEU 8 -3.926 1.916 0.612 81 2HB LEU 8 HB1 LEU 8 -3.202 1.702 -0.971 82 HG LEU 8 HG LEU 8 -5.536 -0.010 -0.296 83 1HD1 LEU 8 HD11 LEU 8 -6.127 2.684 -1.381 84 2HD1 LEU 8 HD12 LEU 8 -5.858 2.541 0.356 85 3HD1 LEU 8 HD13 LEU 8 -7.133 1.601 -0.419 86 1HD2 LEU 8 HD21 LEU 8 -4.427 -0.298 -2.420 87 2HD2 LEU 8 HD22 LEU 8 -4.589 1.422 -2.774 88 3HD2 LEU 8 HD23 LEU 8 -6.025 0.401 -2.682 89 H GLU 9 HN GLU 9 -1.393 1.463 1.672 90 HA GLU 9 HA GLU 9 0.740 1.673 -0.165 91 1HB GLU 9 HB2 GLU 9 0.094 2.844 2.249 92 2HB GLU 9 HB1 GLU 9 1.503 1.875 2.659 93 1HG GLU 9 HG2 GLU 9 2.686 2.957 0.732 94 2HG GLU 9 HG1 GLU 9 1.306 4.045 0.589 95 H LYS 10 HN LYS 10 -0.130 -0.712 2.216 96 HA LYS 10 HA LYS 10 2.413 -1.986 2.383 97 1HB LYS 10 HB2 LYS 10 0.255 -2.172 3.902 98 2HB LYS 10 HB1 LYS 10 -0.130 -3.497 2.812 99 1HG LYS 10 HG2 LYS 10 2.605 -3.539 3.867 100 2HG LYS 10 HG1 LYS 10 1.336 -3.729 5.079 101 1HD LYS 10 HD2 LYS 10 1.099 -5.315 2.582 102 2HD LYS 10 HD1 LYS 10 2.346 -5.793 3.736 103 1HE LYS 10 HE2 LYS 10 0.727 -6.082 5.470 104 2HE LYS 10 HE1 LYS 10 -0.543 -5.369 4.477 105 1HZ LYS 10 HZ1 LYS 10 0.559 -8.055 4.430 106 2HZ LYS 10 HZ2 LYS 10 0.235 -7.375 2.916 107 3HZ LYS 10 HZ3 LYS 10 -1.002 -7.517 4.061 108 H SER 11 HN SER 11 -0.511 -2.542 0.468 109 HA SER 11 HA SER 11 0.489 -4.839 -0.882 110 1HB SER 11 HB2 SER 11 -1.978 -3.726 -0.630 111 2HB SER 11 HB1 SER 11 -1.555 -3.210 -2.263 112 HG SER 11 HG SER 11 -2.142 -5.719 -1.301 113 H PHE 12 HN PHE 12 0.699 -1.399 -1.423 114 HA PHE 12 HA PHE 12 1.581 -1.603 -4.144 115 1HB PHE 12 HB2 PHE 12 0.444 0.408 -3.086 116 2HB PHE 12 HB1 PHE 12 1.978 0.749 -2.294 117 HD1 PHE 12 HD1 PHE 12 0.473 0.222 -5.651 118 HD2 PHE 12 HD2 PHE 12 3.584 2.021 -3.372 119 HE1 PHE 12 HE1 PHE 12 1.229 1.439 -7.651 120 HE2 PHE 12 HE2 PHE 12 4.346 3.242 -5.367 121 HZ PHE 12 HZ PHE 12 3.167 2.952 -7.511 122 H SER 13 HN SER 13 3.105 -1.644 -1.018 123 HA SER 13 HA SER 13 5.706 -0.909 -1.699 124 1HB SER 13 HB2 SER 13 4.635 -2.780 0.412 125 2HB SER 13 HB1 SER 13 6.353 -2.411 0.267 126 HG SER 13 HG SER 13 4.244 -0.796 1.099 127 H LYS 14 HN LYS 14 4.281 -4.175 -1.584 128 HA LYS 14 HA LYS 14 6.542 -5.552 -2.490 129 1HB LYS 14 HB2 LYS 14 4.906 -7.330 -3.173 130 2HB LYS 14 HB1 LYS 14 4.749 -6.789 -1.508 131 1HG LYS 14 HG2 LYS 14 2.694 -5.939 -1.836 132 2HG LYS 14 HG1 LYS 14 3.072 -5.371 -3.463 133 1HD LYS 14 HD2 LYS 14 2.349 -7.274 -4.433 134 2HD LYS 14 HD1 LYS 14 2.991 -8.294 -3.144 135 1HE LYS 14 HE2 LYS 14 1.108 -7.940 -1.781 136 2HE LYS 14 HE1 LYS 14 0.565 -6.569 -2.748 137 1HZ LYS 14 HZ1 LYS 14 -0.117 -7.981 -4.474 138 2HZ LYS 14 HZ2 LYS 14 -0.668 -8.730 -3.061 139 3HZ LYS 14 HZ3 LYS 14 0.712 -9.315 -3.845 140 H ILE 15 HN ILE 15 4.055 -3.795 -4.208 141 HA ILE 15 HA ILE 15 4.749 -4.787 -6.803 142 HB ILE 15 HB ILE 15 3.255 -2.250 -6.153 143 1HG1 ILE 15 HG12 ILE 15 2.395 -4.410 -5.051 144 2HG1 ILE 15 HG11 ILE 15 1.251 -3.467 -5.992 145 1HG2 ILE 15 HG21 ILE 15 3.811 -2.260 -8.436 146 2HG2 ILE 15 HG22 ILE 15 2.145 -2.834 -8.365 147 3HG2 ILE 15 HG23 ILE 15 3.463 -3.981 -8.599 148 1HD1 ILE 15 HD11 ILE 15 2.649 -5.524 -7.525 149 2HD1 ILE 15 HD12 ILE 15 0.934 -5.116 -7.466 150 3HD1 ILE 15 HD13 ILE 15 1.640 -6.143 -6.218 151 H GLN 16 HN GLN 16 5.759 -2.114 -4.787 152 HA GLN 16 HA GLN 16 6.911 -0.439 -6.686 153 1HB GLN 16 HB2 GLN 16 7.110 -0.834 -3.799 154 2HB GLN 16 HB1 GLN 16 8.610 -0.252 -4.507 155 1HG GLN 16 HG2 GLN 16 6.431 1.234 -5.592 156 2HG GLN 16 HG1 GLN 16 6.308 1.220 -3.833 157 1HE2 GLN 16 HE21 GLN 16 9.083 1.263 -6.040 158 2HE2 GLN 16 HE22 GLN 16 9.795 2.698 -5.393 159 H ASN 17 HN ASN 17 8.047 -3.456 -5.357 160 HA ASN 17 HA ASN 17 10.741 -3.177 -6.292 161 1HB ASN 17 HB2 ASN 17 9.615 -4.766 -4.435 162 2HB ASN 17 HB1 ASN 17 9.633 -5.885 -5.795 163 1HD2 ASN 17 HD21 ASN 17 11.358 -4.720 -3.225 164 2HD2 ASN 17 HD22 ASN 17 12.939 -5.234 -3.696 165 H ASP 18 HN ASP 18 7.760 -4.490 -7.559 166 HA ASP 18 HA ASP 18 9.105 -5.698 -9.837 167 1HB ASP 18 HB2 ASP 18 6.880 -6.441 -8.504 168 2HB ASP 18 HB1 ASP 18 6.148 -5.492 -9.794 169 H LYS 19 HN LYS 19 9.942 -4.016 -11.025 170 HA LYS 19 HA LYS 19 8.462 -1.673 -11.679 171 1HB LYS 19 HB2 LYS 19 11.105 -2.381 -11.796 172 2HB LYS 19 HB1 LYS 19 10.654 -2.407 -13.495 173 1HG LYS 19 HG2 LYS 19 9.999 -0.066 -11.745 174 2HG LYS 19 HG1 LYS 19 11.575 -0.230 -12.521 175 1HD LYS 19 HD2 LYS 19 9.344 -0.691 -14.344 176 2HD LYS 19 HD1 LYS 19 9.338 0.925 -13.636 177 1HE LYS 19 HE2 LYS 19 11.492 1.406 -14.475 178 2HE LYS 19 HE1 LYS 19 11.796 -0.285 -14.873 179 1HZ LYS 19 HZ1 LYS 19 11.279 1.057 -16.834 180 2HZ LYS 19 HZ2 LYS 19 9.762 1.435 -16.188 181 3HZ LYS 19 HZ3 LYS 19 10.132 -0.164 -16.597 182 1HN NH2 20 NH1 NH2 20 7.198 -1.231 -13.380 183 2HN NH2 20 NH2 NH2 20 6.825 -2.332 -14.658 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -12.007 6.223 10.928 2 2H ALA 1 HT2 ALA 1 -12.167 5.581 9.345 3 3H ALA 1 HT3 ALA 1 -12.529 7.232 9.645 4 HA ALA 1 HA ALA 1 -10.361 7.806 9.934 5 1HB ALA 1 HB1 ALA 1 -9.341 6.367 11.355 6 2HB ALA 1 HB2 ALA 1 -8.668 5.741 9.850 7 3HB ALA 1 HB3 ALA 1 -10.050 4.941 10.599 8 H LYS 2 HN LYS 2 -9.533 8.551 8.099 9 HA LYS 2 HA LYS 2 -9.931 6.995 5.650 10 1HB LYS 2 HB2 LYS 2 -10.724 9.416 5.909 11 2HB LYS 2 HB1 LYS 2 -9.027 9.864 5.815 12 1HG LYS 2 HG2 LYS 2 -8.999 9.657 3.604 13 2HG LYS 2 HG1 LYS 2 -9.786 8.079 3.666 14 1HD LYS 2 HD2 LYS 2 -11.882 9.637 4.266 15 2HD LYS 2 HD1 LYS 2 -10.950 10.774 3.290 16 1HE LYS 2 HE2 LYS 2 -11.379 9.670 1.387 17 2HE LYS 2 HE1 LYS 2 -11.121 8.095 2.135 18 1HZ LYS 2 HZ1 LYS 2 -13.569 9.629 2.714 19 2HZ LYS 2 HZ2 LYS 2 -13.311 7.960 2.805 20 3HZ LYS 2 HZ3 LYS 2 -13.457 8.711 1.297 21 H LYS 3 HN LYS 3 -7.812 6.372 7.557 22 HA LYS 3 HA LYS 3 -5.429 7.021 5.935 23 1HB LYS 3 HB2 LYS 3 -4.185 6.268 8.041 24 2HB LYS 3 HB1 LYS 3 -5.032 7.807 8.119 25 1HG LYS 3 HG2 LYS 3 -6.645 5.523 8.970 26 2HG LYS 3 HG1 LYS 3 -5.213 5.808 9.961 27 1HD LYS 3 HD2 LYS 3 -6.093 8.321 9.776 28 2HD LYS 3 HD1 LYS 3 -7.632 7.479 9.584 29 1HE LYS 3 HE2 LYS 3 -7.138 6.219 11.666 30 2HE LYS 3 HE1 LYS 3 -5.689 7.202 11.873 31 1HZ LYS 3 HZ1 LYS 3 -8.507 8.126 11.905 32 2HZ LYS 3 HZ2 LYS 3 -7.183 9.178 11.861 33 3HZ LYS 3 HZ3 LYS 3 -7.402 8.150 13.186 34 H VAL 4 HN VAL 4 -7.539 4.773 5.695 35 HA VAL 4 HA VAL 4 -6.309 2.316 6.254 36 HB VAL 4 HB VAL 4 -7.973 2.874 3.794 37 1HG1 VAL 4 HG11 VAL 4 -8.196 0.645 3.558 38 2HG1 VAL 4 HG12 VAL 4 -8.251 0.359 5.298 39 3HG1 VAL 4 HG13 VAL 4 -6.701 0.596 4.492 40 1HG2 VAL 4 HG21 VAL 4 -8.835 2.449 6.644 41 2HG2 VAL 4 HG22 VAL 4 -9.904 2.148 5.274 42 3HG2 VAL 4 HG23 VAL 4 -9.265 3.767 5.554 43 H PHE 5 HN PHE 5 -5.587 4.801 4.103 44 HA PHE 5 HA PHE 5 -4.336 3.829 1.935 45 1HB PHE 5 HB2 PHE 5 -4.562 6.234 2.773 46 2HB PHE 5 HB1 PHE 5 -3.096 5.930 3.693 47 HD1 PHE 5 HD1 PHE 5 -4.494 6.626 0.428 48 HD2 PHE 5 HD2 PHE 5 -0.966 5.492 2.519 49 HE1 PHE 5 HE1 PHE 5 -3.142 7.223 -1.539 50 HE2 PHE 5 HE2 PHE 5 0.394 6.087 0.556 51 HZ PHE 5 HZ PHE 5 -0.695 6.954 -1.476 52 H LYS 6 HN LYS 6 -3.259 3.656 5.210 53 HA LYS 6 HA LYS 6 -0.577 2.953 4.803 54 1HB LYS 6 HB2 LYS 6 -2.395 3.097 7.012 55 2HB LYS 6 HB1 LYS 6 -1.534 1.566 7.094 56 1HG LYS 6 HG2 LYS 6 -0.068 2.842 8.247 57 2HG LYS 6 HG1 LYS 6 0.541 3.160 6.622 58 1HD LYS 6 HD2 LYS 6 -1.159 5.126 6.653 59 2HD LYS 6 HD1 LYS 6 -1.109 4.908 8.404 60 1HE LYS 6 HE2 LYS 6 1.411 5.170 6.803 61 2HE LYS 6 HE1 LYS 6 0.511 6.596 7.318 62 1HZ LYS 6 HZ1 LYS 6 2.253 6.026 8.892 63 2HZ LYS 6 HZ2 LYS 6 1.583 4.490 9.118 64 3HZ LYS 6 HZ3 LYS 6 0.729 5.865 9.609 65 H ARG 7 HN ARG 7 -3.478 0.930 5.180 66 HA ARG 7 HA ARG 7 -2.149 -1.543 4.894 67 1HB ARG 7 HB2 ARG 7 -4.981 -0.624 4.607 68 2HB ARG 7 HB1 ARG 7 -4.544 -2.218 4.007 69 1HG ARG 7 HG2 ARG 7 -3.436 -2.320 6.457 70 2HG ARG 7 HG1 ARG 7 -4.793 -1.236 6.768 71 1HD ARG 7 HD2 ARG 7 -6.212 -2.983 5.537 72 2HD ARG 7 HD1 ARG 7 -4.836 -4.062 5.758 73 HE ARG 7 HE ARG 7 -5.712 -2.790 8.183 74 1HH1 ARG 7 HH11 ARG 7 -6.178 -5.511 6.048 75 2HH1 ARG 7 HH12 ARG 7 -6.863 -6.519 7.279 76 1HH2 ARG 7 HH21 ARG 7 -6.612 -4.113 9.803 77 2HH2 ARG 7 HH22 ARG 7 -7.110 -5.725 9.411 78 H LEU 8 HN LEU 8 -3.602 0.693 2.595 79 HA LEU 8 HA LEU 8 -3.260 -0.926 0.296 80 1HB LEU 8 HB2 LEU 8 -3.673 2.010 0.758 81 2HB LEU 8 HB1 LEU 8 -3.286 1.421 -0.848 82 HG LEU 8 HG LEU 8 -5.324 -0.209 -0.349 83 1HD1 LEU 8 HD11 LEU 8 -7.057 0.850 0.937 84 2HD1 LEU 8 HD12 LEU 8 -6.026 2.246 1.252 85 3HD1 LEU 8 HD13 LEU 8 -5.621 0.676 1.946 86 1HD2 LEU 8 HD21 LEU 8 -4.895 1.864 -2.002 87 2HD2 LEU 8 HD22 LEU 8 -6.209 2.523 -1.028 88 3HD2 LEU 8 HD23 LEU 8 -6.432 1.005 -1.898 89 H GLU 9 HN GLU 9 -1.290 1.572 1.856 90 HA GLU 9 HA GLU 9 0.783 1.603 -0.056 91 1HB GLU 9 HB2 GLU 9 0.257 3.141 2.049 92 2HB GLU 9 HB1 GLU 9 1.400 2.056 2.829 93 1HG GLU 9 HG2 GLU 9 3.148 2.696 1.406 94 2HG GLU 9 HG1 GLU 9 2.046 3.455 0.258 95 H LYS 10 HN LYS 10 -0.025 -0.583 2.523 96 HA LYS 10 HA LYS 10 2.527 -1.824 2.757 97 1HB LYS 10 HB2 LYS 10 0.570 -1.915 4.411 98 2HB LYS 10 HB1 LYS 10 -0.117 -3.141 3.355 99 1HG LYS 10 HG2 LYS 10 2.661 -3.661 4.060 100 2HG LYS 10 HG1 LYS 10 1.582 -3.594 5.455 101 1HD LYS 10 HD2 LYS 10 0.137 -5.085 3.668 102 2HD LYS 10 HD1 LYS 10 1.792 -5.595 3.329 103 1HE LYS 10 HE2 LYS 10 2.126 -6.126 5.680 104 2HE LYS 10 HE1 LYS 10 0.496 -5.566 6.053 105 1HZ LYS 10 HZ1 LYS 10 0.011 -7.732 5.808 106 2HZ LYS 10 HZ2 LYS 10 1.368 -8.058 4.852 107 3HZ LYS 10 HZ3 LYS 10 -0.010 -7.366 4.156 108 H SER 11 HN SER 11 -0.384 -2.481 0.865 109 HA SER 11 HA SER 11 0.570 -4.905 -0.280 110 1HB SER 11 HB2 SER 11 -1.347 -4.779 -1.730 111 2HB SER 11 HB1 SER 11 -1.848 -4.222 -0.134 112 HG SER 11 HG SER 11 -1.250 -2.650 -2.414 113 H PHE 12 HN PHE 12 0.749 -1.517 -1.180 114 HA PHE 12 HA PHE 12 1.599 -1.821 -3.835 115 1HB PHE 12 HB2 PHE 12 1.084 0.307 -2.153 116 2HB PHE 12 HB1 PHE 12 2.815 0.446 -2.441 117 HD1 PHE 12 HD1 PHE 12 -0.478 0.910 -3.797 118 HD2 PHE 12 HD2 PHE 12 3.645 0.597 -4.800 119 HE1 PHE 12 HE1 PHE 12 -0.933 1.961 -5.974 120 HE2 PHE 12 HE2 PHE 12 3.199 1.649 -6.979 121 HZ PHE 12 HZ PHE 12 0.908 2.332 -7.568 122 H SER 13 HN SER 13 3.259 -2.314 -0.847 123 HA SER 13 HA SER 13 5.906 -1.886 -1.547 124 1HB SER 13 HB2 SER 13 4.659 -2.809 0.677 125 2HB SER 13 HB1 SER 13 5.394 -4.299 0.086 126 HG SER 13 HG SER 13 7.382 -2.962 -0.071 127 H LYS 14 HN LYS 14 3.919 -4.787 -2.025 128 HA LYS 14 HA LYS 14 5.935 -6.413 -3.114 129 1HB LYS 14 HB2 LYS 14 2.992 -6.526 -3.782 130 2HB LYS 14 HB1 LYS 14 4.156 -7.839 -3.893 131 1HG LYS 14 HG2 LYS 14 4.440 -7.721 -1.430 132 2HG LYS 14 HG1 LYS 14 3.146 -6.522 -1.383 133 1HD LYS 14 HD2 LYS 14 1.815 -8.313 -1.086 134 2HD LYS 14 HD1 LYS 14 1.977 -8.496 -2.834 135 1HE LYS 14 HE2 LYS 14 3.715 -9.833 -0.762 136 2HE LYS 14 HE1 LYS 14 2.389 -10.602 -1.633 137 1HZ LYS 14 HZ1 LYS 14 4.976 -9.652 -2.706 138 2HZ LYS 14 HZ2 LYS 14 3.655 -9.963 -3.716 139 3HZ LYS 14 HZ3 LYS 14 4.314 -11.208 -2.780 140 H ILE 15 HN ILE 15 3.898 -3.947 -4.517 141 HA ILE 15 HA ILE 15 4.639 -4.616 -7.235 142 HB ILE 15 HB ILE 15 3.218 -2.126 -6.303 143 1HG1 ILE 15 HG12 ILE 15 2.018 -4.790 -7.095 144 2HG1 ILE 15 HG11 ILE 15 2.047 -4.127 -5.464 145 1HG2 ILE 15 HG21 ILE 15 2.596 -3.376 -8.891 146 2HG2 ILE 15 HG22 ILE 15 4.218 -2.699 -8.746 147 3HG2 ILE 15 HG23 ILE 15 2.808 -1.677 -8.470 148 1HD1 ILE 15 HD11 ILE 15 0.239 -3.585 -7.668 149 2HD1 ILE 15 HD12 ILE 15 0.872 -2.120 -6.918 150 3HD1 ILE 15 HD13 ILE 15 0.033 -3.321 -5.937 151 H GLN 16 HN GLN 16 5.689 -2.462 -4.719 152 HA GLN 16 HA GLN 16 6.991 -0.486 -6.166 153 1HB GLN 16 HB2 GLN 16 6.687 -0.451 -3.717 154 2HB GLN 16 HB1 GLN 16 7.882 -1.731 -3.559 155 1HG GLN 16 HG2 GLN 16 9.551 -0.280 -3.603 156 2HG GLN 16 HG1 GLN 16 8.944 0.467 -5.080 157 1HE2 GLN 16 HE21 GLN 16 8.039 2.425 -4.968 158 2HE2 GLN 16 HE22 GLN 16 7.719 3.287 -3.506 159 H ASN 17 HN ASN 17 7.923 -3.791 -5.552 160 HA ASN 17 HA ASN 17 10.646 -3.462 -6.393 161 1HB ASN 17 HB2 ASN 17 9.327 -5.381 -4.968 162 2HB ASN 17 HB1 ASN 17 9.485 -6.166 -6.536 163 1HD2 ASN 17 HD21 ASN 17 10.768 -6.588 -3.857 164 2HD2 ASN 17 HD22 ASN 17 12.463 -6.619 -4.191 165 H ASP 18 HN ASP 18 7.615 -4.287 -7.916 166 HA ASP 18 HA ASP 18 8.608 -5.413 -10.291 167 1HB ASP 18 HB2 ASP 18 6.037 -4.109 -9.492 168 2HB ASP 18 HB1 ASP 18 6.335 -4.426 -11.199 169 H LYS 19 HN LYS 19 9.087 -4.543 -12.292 170 HA LYS 19 HA LYS 19 9.864 -1.727 -12.248 171 1HB LYS 19 HB2 LYS 19 11.191 -2.246 -14.225 172 2HB LYS 19 HB1 LYS 19 11.544 -3.385 -12.933 173 1HG LYS 19 HG2 LYS 19 9.628 -4.753 -14.206 174 2HG LYS 19 HG1 LYS 19 10.278 -3.826 -15.560 175 1HD LYS 19 HD2 LYS 19 12.576 -4.613 -14.756 176 2HD LYS 19 HD1 LYS 19 11.694 -5.784 -13.774 177 1HE LYS 19 HE2 LYS 19 10.847 -5.654 -16.580 178 2HE LYS 19 HE1 LYS 19 12.508 -6.195 -16.340 179 1HZ LYS 19 HZ1 LYS 19 11.498 -8.175 -16.089 180 2HZ LYS 19 HZ2 LYS 19 10.012 -7.504 -15.638 181 3HZ LYS 19 HZ3 LYS 19 11.255 -7.643 -14.501 182 1HN NH2 20 NH1 NH2 20 9.278 -0.277 -13.879 183 2HN NH2 20 NH2 NH2 20 7.873 -0.510 -14.855 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 -10.968 3.407 7.890 2 2H ALA 1 HT2 ALA 1 -12.183 4.394 7.185 3 3H ALA 1 HT3 ALA 1 -12.404 3.750 8.761 4 HA ALA 1 HA ALA 1 -11.829 5.880 9.178 5 1HB ALA 1 HB1 ALA 1 -9.217 5.652 9.660 6 2HB ALA 1 HB2 ALA 1 -9.591 3.953 9.375 7 3HB ALA 1 HB3 ALA 1 -10.439 4.842 10.639 8 H LYS 2 HN LYS 2 -9.774 7.470 8.934 9 HA LYS 2 HA LYS 2 -9.661 8.044 6.063 10 1HB LYS 2 HB2 LYS 2 -10.116 9.650 8.326 11 2HB LYS 2 HB1 LYS 2 -8.528 10.113 7.730 12 1HG LYS 2 HG2 LYS 2 -9.919 10.062 5.419 13 2HG LYS 2 HG1 LYS 2 -11.189 10.525 6.553 14 1HD LYS 2 HD2 LYS 2 -9.071 12.101 7.326 15 2HD LYS 2 HD1 LYS 2 -8.902 12.052 5.571 16 1HE LYS 2 HE2 LYS 2 -10.411 13.702 5.550 17 2HE LYS 2 HE1 LYS 2 -11.596 12.444 5.899 18 1HZ LYS 2 HZ1 LYS 2 -10.718 12.998 8.350 19 2HZ LYS 2 HZ2 LYS 2 -12.047 13.768 7.641 20 3HZ LYS 2 HZ3 LYS 2 -10.530 14.516 7.628 21 H LYS 3 HN LYS 3 -7.948 6.057 7.513 22 HA LYS 3 HA LYS 3 -5.399 7.006 6.435 23 1HB LYS 3 HB2 LYS 3 -4.155 6.378 8.433 24 2HB LYS 3 HB1 LYS 3 -5.348 7.608 8.827 25 1HG LYS 3 HG2 LYS 3 -6.843 5.789 9.650 26 2HG LYS 3 HG1 LYS 3 -5.505 4.663 9.415 27 1HD LYS 3 HD2 LYS 3 -5.089 5.175 11.582 28 2HD LYS 3 HD1 LYS 3 -4.252 6.547 10.855 29 1HE LYS 3 HE2 LYS 3 -7.154 6.670 11.620 30 2HE LYS 3 HE1 LYS 3 -5.869 7.032 12.771 31 1HZ LYS 3 HZ1 LYS 3 -6.144 9.098 11.963 32 2HZ LYS 3 HZ2 LYS 3 -6.812 8.575 10.500 33 3HZ LYS 3 HZ3 LYS 3 -5.135 8.553 10.718 34 H VAL 4 HN VAL 4 -7.581 4.830 6.020 35 HA VAL 4 HA VAL 4 -6.397 2.316 6.436 36 HB VAL 4 HB VAL 4 -8.729 2.545 5.679 37 1HG1 VAL 4 HG11 VAL 4 -9.374 3.360 3.608 38 2HG1 VAL 4 HG12 VAL 4 -7.769 3.143 2.909 39 3HG1 VAL 4 HG13 VAL 4 -8.062 4.449 4.058 40 1HG2 VAL 4 HG21 VAL 4 -8.527 0.449 4.976 41 2HG2 VAL 4 HG22 VAL 4 -6.809 0.707 4.671 42 3HG2 VAL 4 HG23 VAL 4 -7.989 1.024 3.399 43 H PHE 5 HN PHE 5 -5.630 4.920 4.452 44 HA PHE 5 HA PHE 5 -4.392 4.051 2.226 45 1HB PHE 5 HB2 PHE 5 -4.594 6.411 3.213 46 2HB PHE 5 HB1 PHE 5 -3.116 6.038 4.087 47 HD1 PHE 5 HD1 PHE 5 -4.325 5.589 0.578 48 HD2 PHE 5 HD2 PHE 5 -1.251 6.993 3.164 49 HE1 PHE 5 HE1 PHE 5 -3.000 6.278 -1.378 50 HE2 PHE 5 HE2 PHE 5 0.079 7.685 1.213 51 HZ PHE 5 HZ PHE 5 -0.795 7.328 -1.061 52 H LYS 6 HN LYS 6 -3.346 3.668 5.490 53 HA LYS 6 HA LYS 6 -0.665 2.974 5.078 54 1HB LYS 6 HB2 LYS 6 -2.374 3.167 7.270 55 2HB LYS 6 HB1 LYS 6 -1.908 1.472 7.243 56 1HG LYS 6 HG2 LYS 6 0.489 2.279 7.086 57 2HG LYS 6 HG1 LYS 6 -0.135 3.883 7.476 58 1HD LYS 6 HD2 LYS 6 -0.056 3.346 9.632 59 2HD LYS 6 HD1 LYS 6 -1.278 2.108 9.340 60 1HE LYS 6 HE2 LYS 6 0.219 0.432 9.436 61 2HE LYS 6 HE1 LYS 6 1.450 1.349 8.569 62 1HZ LYS 6 HZ1 LYS 6 0.986 1.107 11.425 63 2HZ LYS 6 HZ2 LYS 6 1.402 2.655 10.884 64 3HZ LYS 6 HZ3 LYS 6 2.431 1.348 10.578 65 H ARG 7 HN ARG 7 -3.596 0.966 5.214 66 HA ARG 7 HA ARG 7 -2.279 -1.501 4.813 67 1HB ARG 7 HB2 ARG 7 -5.073 -0.517 4.614 68 2HB ARG 7 HB1 ARG 7 -4.693 -1.991 3.733 69 1HG ARG 7 HG2 ARG 7 -4.326 -3.202 5.633 70 2HG ARG 7 HG1 ARG 7 -3.847 -1.788 6.574 71 1HD ARG 7 HD2 ARG 7 -6.159 -1.036 6.652 72 2HD ARG 7 HD1 ARG 7 -6.654 -2.405 5.658 73 HE ARG 7 HE ARG 7 -6.616 -3.720 7.525 74 1HH1 ARG 7 HH11 ARG 7 -4.809 -0.807 8.178 75 2HH1 ARG 7 HH12 ARG 7 -4.598 -1.166 9.859 76 1HH2 ARG 7 HH21 ARG 7 -6.339 -4.194 9.735 77 2HH2 ARG 7 HH22 ARG 7 -5.466 -3.089 10.743 78 H LEU 8 HN LEU 8 -3.703 0.849 2.593 79 HA LEU 8 HA LEU 8 -3.220 -0.636 0.229 80 1HB LEU 8 HB2 LEU 8 -3.876 2.198 0.876 81 2HB LEU 8 HB1 LEU 8 -3.218 1.858 -0.714 82 HG LEU 8 HG LEU 8 -5.508 0.196 0.197 83 1HD1 LEU 8 HD11 LEU 8 -5.832 3.031 -0.776 84 2HD1 LEU 8 HD12 LEU 8 -6.155 2.468 0.865 85 3HD1 LEU 8 HD13 LEU 8 -7.126 1.870 -0.481 86 1HD2 LEU 8 HD21 LEU 8 -4.144 0.185 -2.055 87 2HD2 LEU 8 HD22 LEU 8 -5.244 1.501 -2.464 88 3HD2 LEU 8 HD23 LEU 8 -5.886 -0.086 -2.042 89 H GLU 9 HN GLU 9 -1.376 1.737 2.073 90 HA GLU 9 HA GLU 9 0.752 2.036 0.245 91 1HB GLU 9 HB2 GLU 9 0.150 2.822 2.973 92 2HB GLU 9 HB1 GLU 9 1.835 2.350 2.808 93 1HG GLU 9 HG2 GLU 9 0.803 4.131 0.708 94 2HG GLU 9 HG1 GLU 9 0.901 4.825 2.326 95 H LYS 10 HN LYS 10 -0.054 -0.428 2.575 96 HA LYS 10 HA LYS 10 2.533 -1.611 2.732 97 1HB LYS 10 HB2 LYS 10 -0.243 -2.566 3.391 98 2HB LYS 10 HB1 LYS 10 1.138 -3.649 3.495 99 1HG LYS 10 HG2 LYS 10 1.084 -1.012 4.922 100 2HG LYS 10 HG1 LYS 10 0.395 -2.477 5.626 101 1HD LYS 10 HD2 LYS 10 3.101 -2.802 4.539 102 2HD LYS 10 HD1 LYS 10 2.989 -1.683 5.899 103 1HE LYS 10 HE2 LYS 10 1.465 -4.141 6.292 104 2HE LYS 10 HE1 LYS 10 3.192 -4.419 6.074 105 1HZ LYS 10 HZ1 LYS 10 2.088 -3.826 8.414 106 2HZ LYS 10 HZ2 LYS 10 2.472 -2.266 7.886 107 3HZ LYS 10 HZ3 LYS 10 3.686 -3.435 8.021 108 H SER 11 HN SER 11 -0.323 -2.165 0.729 109 HA SER 11 HA SER 11 0.729 -4.431 -0.633 110 1HB SER 11 HB2 SER 11 -1.637 -4.188 -0.643 111 2HB SER 11 HB1 SER 11 -1.538 -2.532 -1.243 112 HG SER 11 HG SER 11 -1.915 -3.576 -3.064 113 H PHE 12 HN PHE 12 0.890 -0.974 -1.127 114 HA PHE 12 HA PHE 12 1.714 -0.907 -3.796 115 1HB PHE 12 HB2 PHE 12 1.075 1.036 -2.225 116 2HB PHE 12 HB1 PHE 12 2.759 1.000 -1.715 117 HD1 PHE 12 HD1 PHE 12 4.280 2.313 -2.832 118 HD2 PHE 12 HD2 PHE 12 0.705 1.143 -4.822 119 HE1 PHE 12 HE1 PHE 12 4.892 3.723 -4.753 120 HE2 PHE 12 HE2 PHE 12 1.311 2.551 -6.747 121 HZ PHE 12 HZ PHE 12 3.408 3.843 -6.714 122 H SER 13 HN SER 13 3.476 -1.633 -0.868 123 HA SER 13 HA SER 13 6.094 -1.306 -1.794 124 1HB SER 13 HB2 SER 13 5.096 -1.931 0.591 125 2HB SER 13 HB1 SER 13 5.487 -3.566 0.058 126 HG SER 13 HG SER 13 7.149 -2.132 1.205 127 H LYS 14 HN LYS 14 3.831 -3.971 -2.154 128 HA LYS 14 HA LYS 14 5.661 -5.868 -3.169 129 1HB LYS 14 HB2 LYS 14 2.689 -5.563 -3.201 130 2HB LYS 14 HB1 LYS 14 3.426 -6.756 -4.262 131 1HG LYS 14 HG2 LYS 14 4.607 -7.102 -1.733 132 2HG LYS 14 HG1 LYS 14 2.872 -6.920 -1.464 133 1HD LYS 14 HD2 LYS 14 3.020 -9.185 -1.828 134 2HD LYS 14 HD1 LYS 14 2.696 -8.607 -3.463 135 1HE LYS 14 HE2 LYS 14 5.498 -8.517 -3.069 136 2HE LYS 14 HE1 LYS 14 4.935 -10.085 -2.492 137 1HZ LYS 14 HZ1 LYS 14 4.730 -8.931 -5.197 138 2HZ LYS 14 HZ2 LYS 14 3.662 -10.146 -4.704 139 3HZ LYS 14 HZ3 LYS 14 5.327 -10.443 -4.727 140 H ILE 15 HN ILE 15 3.910 -3.228 -4.632 141 HA ILE 15 HA ILE 15 4.360 -4.062 -7.338 142 HB ILE 15 HB ILE 15 3.682 -1.282 -6.385 143 1HG1 ILE 15 HG12 ILE 15 1.772 -3.507 -7.130 144 2HG1 ILE 15 HG11 ILE 15 2.117 -3.006 -5.478 145 1HG2 ILE 15 HG21 ILE 15 3.802 -2.643 -9.000 146 2HG2 ILE 15 HG22 ILE 15 4.053 -0.947 -8.588 147 3HG2 ILE 15 HG23 ILE 15 2.416 -1.586 -8.733 148 1HD1 ILE 15 HD11 ILE 15 0.550 -1.634 -7.592 149 2HD1 ILE 15 HD12 ILE 15 1.394 -0.653 -6.394 150 3HD1 ILE 15 HD13 ILE 15 0.200 -1.844 -5.877 151 H GLN 16 HN GLN 16 6.063 -2.118 -4.994 152 HA GLN 16 HA GLN 16 7.755 -0.680 -6.695 153 1HB GLN 16 HB2 GLN 16 7.449 -0.393 -4.189 154 2HB GLN 16 HB1 GLN 16 8.545 -1.754 -3.988 155 1HG GLN 16 HG2 GLN 16 9.764 0.086 -5.764 156 2HG GLN 16 HG1 GLN 16 9.161 0.987 -4.374 157 1HE2 GLN 16 HE21 GLN 16 9.876 0.360 -2.273 158 2HE2 GLN 16 HE22 GLN 16 11.394 -0.439 -2.068 159 H ASN 17 HN ASN 17 7.857 -3.997 -5.612 160 HA ASN 17 HA ASN 17 10.551 -4.517 -6.363 161 1HB ASN 17 HB2 ASN 17 8.249 -6.457 -6.056 162 2HB ASN 17 HB1 ASN 17 9.959 -6.879 -6.103 163 1HD2 ASN 17 HD21 ASN 17 8.544 -7.731 -4.012 164 2HD2 ASN 17 HD22 ASN 17 8.940 -6.839 -2.586 165 H ASP 18 HN ASP 18 7.426 -5.071 -7.953 166 HA ASP 18 HA ASP 18 8.474 -6.294 -10.270 167 1HB ASP 18 HB2 ASP 18 5.967 -5.900 -9.289 168 2HB ASP 18 HB1 ASP 18 5.998 -4.721 -10.596 169 H LYS 19 HN LYS 19 9.325 -5.487 -12.096 170 HA LYS 19 HA LYS 19 9.778 -2.607 -12.216 171 1HB LYS 19 HB2 LYS 19 11.157 -4.999 -13.208 172 2HB LYS 19 HB1 LYS 19 11.110 -3.677 -14.366 173 1HG LYS 19 HG2 LYS 19 12.039 -2.191 -12.586 174 2HG LYS 19 HG1 LYS 19 12.251 -3.628 -11.585 175 1HD LYS 19 HD2 LYS 19 13.673 -4.609 -13.349 176 2HD LYS 19 HD1 LYS 19 13.504 -3.121 -14.283 177 1HE LYS 19 HE2 LYS 19 14.953 -1.986 -12.980 178 2HE LYS 19 HE1 LYS 19 14.394 -2.767 -11.502 179 1HZ LYS 19 HZ1 LYS 19 16.121 -4.092 -13.519 180 2HZ LYS 19 HZ2 LYS 19 15.712 -4.675 -11.985 181 3HZ LYS 19 HZ3 LYS 19 16.711 -3.319 -12.134 182 1HN NH2 20 NH1 NH2 20 8.648 -1.327 -13.491 183 2HN NH2 20 NH2 NH2 20 7.702 -1.811 -14.854 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 -11.287 3.330 11.058 2 2H ALA 1 HT2 ALA 1 -10.043 2.898 9.957 3 3H ALA 1 HT3 ALA 1 -11.529 3.528 9.372 4 HA ALA 1 HA ALA 1 -11.000 5.547 10.741 5 1HB ALA 1 HB1 ALA 1 -8.648 5.942 11.159 6 2HB ALA 1 HB2 ALA 1 -8.242 4.349 10.518 7 3HB ALA 1 HB3 ALA 1 -9.176 4.489 12.007 8 H LYS 2 HN LYS 2 -9.326 7.190 9.630 9 HA LYS 2 HA LYS 2 -9.832 6.906 6.760 10 1HB LYS 2 HB2 LYS 2 -9.386 9.332 6.658 11 2HB LYS 2 HB1 LYS 2 -10.683 8.937 7.776 12 1HG LYS 2 HG2 LYS 2 -9.557 9.700 9.559 13 2HG LYS 2 HG1 LYS 2 -8.012 9.071 8.983 14 1HD LYS 2 HD2 LYS 2 -7.521 11.242 8.648 15 2HD LYS 2 HD1 LYS 2 -8.473 11.041 7.176 16 1HE LYS 2 HE2 LYS 2 -10.424 11.579 8.974 17 2HE LYS 2 HE1 LYS 2 -9.090 12.513 9.649 18 1HZ LYS 2 HZ1 LYS 2 -9.829 14.049 8.205 19 2HZ LYS 2 HZ2 LYS 2 -10.582 12.921 7.194 20 3HZ LYS 2 HZ3 LYS 2 -8.914 13.178 7.079 21 H LYS 3 HN LYS 3 -7.634 5.526 8.161 22 HA LYS 3 HA LYS 3 -5.393 6.665 6.611 23 1HB LYS 3 HB2 LYS 3 -3.905 5.676 8.424 24 2HB LYS 3 HB1 LYS 3 -4.821 7.111 8.864 25 1HG LYS 3 HG2 LYS 3 -4.938 5.611 10.692 26 2HG LYS 3 HG1 LYS 3 -6.520 5.601 9.909 27 1HD LYS 3 HD2 LYS 3 -6.306 3.455 9.202 28 2HD LYS 3 HD1 LYS 3 -4.564 3.596 8.960 29 1HE LYS 3 HE2 LYS 3 -4.094 2.879 11.038 30 2HE LYS 3 HE1 LYS 3 -5.424 3.786 11.757 31 1HZ LYS 3 HZ1 LYS 3 -5.542 1.132 10.444 32 2HZ LYS 3 HZ2 LYS 3 -6.925 2.037 10.805 33 3HZ LYS 3 HZ3 LYS 3 -5.909 1.513 12.052 34 H VAL 4 HN VAL 4 -7.464 4.395 6.234 35 HA VAL 4 HA VAL 4 -6.111 1.938 6.260 36 HB VAL 4 HB VAL 4 -8.519 2.085 5.780 37 1HG1 VAL 4 HG11 VAL 4 -9.436 3.049 3.884 38 2HG1 VAL 4 HG12 VAL 4 -7.910 3.005 2.999 39 3HG1 VAL 4 HG13 VAL 4 -8.143 4.175 4.299 40 1HG2 VAL 4 HG21 VAL 4 -6.924 0.849 3.537 41 2HG2 VAL 4 HG22 VAL 4 -8.606 0.481 3.918 42 3HG2 VAL 4 HG23 VAL 4 -7.334 0.087 5.074 43 H PHE 5 HN PHE 5 -5.703 4.759 4.475 44 HA PHE 5 HA PHE 5 -4.681 4.184 2.055 45 1HB PHE 5 HB2 PHE 5 -4.885 6.423 3.283 46 2HB PHE 5 HB1 PHE 5 -3.310 6.055 3.970 47 HD1 PHE 5 HD1 PHE 5 -5.058 7.436 1.194 48 HD2 PHE 5 HD2 PHE 5 -1.378 5.637 2.348 49 HE1 PHE 5 HE1 PHE 5 -3.972 8.389 -0.798 50 HE2 PHE 5 HE2 PHE 5 -0.285 6.588 0.359 51 HZ PHE 5 HZ PHE 5 -1.582 7.966 -1.217 52 H LYS 6 HN LYS 6 -3.237 3.584 5.133 53 HA LYS 6 HA LYS 6 -0.597 3.074 4.359 54 1HB LYS 6 HB2 LYS 6 -2.000 3.017 6.739 55 2HB LYS 6 HB1 LYS 6 -1.574 1.328 6.500 56 1HG LYS 6 HG2 LYS 6 0.338 3.653 6.563 57 2HG LYS 6 HG1 LYS 6 0.101 2.453 7.835 58 1HD LYS 6 HD2 LYS 6 1.871 1.461 6.837 59 2HD LYS 6 HD1 LYS 6 0.626 0.826 5.759 60 1HE LYS 6 HE2 LYS 6 1.196 2.239 4.045 61 2HE LYS 6 HE1 LYS 6 1.835 3.472 5.132 62 1HZ LYS 6 HZ1 LYS 6 3.255 0.931 5.066 63 2HZ LYS 6 HZ2 LYS 6 3.859 2.506 5.185 64 3HZ LYS 6 HZ3 LYS 6 3.380 1.896 3.682 65 H ARG 7 HN ARG 7 -3.397 0.907 4.629 66 HA ARG 7 HA ARG 7 -2.077 -1.458 3.883 67 1HB ARG 7 HB2 ARG 7 -4.716 -0.694 4.482 68 2HB ARG 7 HB1 ARG 7 -4.778 -1.368 2.860 69 1HG ARG 7 HG2 ARG 7 -5.212 -3.108 4.447 70 2HG ARG 7 HG1 ARG 7 -3.638 -3.395 3.701 71 1HD ARG 7 HD2 ARG 7 -2.518 -2.474 5.643 72 2HD ARG 7 HD1 ARG 7 -4.070 -2.073 6.377 73 HE ARG 7 HE ARG 7 -4.268 -4.248 7.053 74 1HH1 ARG 7 HH11 ARG 7 -1.811 -4.064 4.581 75 2HH1 ARG 7 HH12 ARG 7 -1.308 -5.708 4.783 76 1HH2 ARG 7 HH21 ARG 7 -3.607 -6.411 7.320 77 2HH2 ARG 7 HH22 ARG 7 -2.328 -7.042 6.337 78 H LEU 8 HN LEU 8 -3.745 1.017 1.980 79 HA LEU 8 HA LEU 8 -3.392 -0.205 -0.539 80 1HB LEU 8 HB2 LEU 8 -3.997 2.557 0.413 81 2HB LEU 8 HB1 LEU 8 -3.490 2.348 -1.253 82 HG LEU 8 HG LEU 8 -5.525 0.427 -0.712 83 1HD1 LEU 8 HD11 LEU 8 -7.366 2.189 -0.347 84 2HD1 LEU 8 HD12 LEU 8 -6.072 3.183 0.322 85 3HD1 LEU 8 HD13 LEU 8 -6.451 1.623 1.050 86 1HD2 LEU 8 HD21 LEU 8 -5.611 2.953 -2.357 87 2HD2 LEU 8 HD22 LEU 8 -6.653 1.541 -2.536 88 3HD2 LEU 8 HD23 LEU 8 -4.930 1.417 -2.893 89 H GLU 9 HN GLU 9 -1.492 2.187 1.272 90 HA GLU 9 HA GLU 9 0.516 2.519 -0.689 91 1HB GLU 9 HB2 GLU 9 -0.033 3.520 1.901 92 2HB GLU 9 HB1 GLU 9 1.582 2.827 1.967 93 1HG GLU 9 HG2 GLU 9 2.278 4.206 0.100 94 2HG GLU 9 HG1 GLU 9 0.649 4.865 -0.042 95 H LYS 10 HN LYS 10 -0.090 0.097 1.735 96 HA LYS 10 HA LYS 10 2.524 -1.039 1.757 97 1HB LYS 10 HB2 LYS 10 0.691 -1.357 3.502 98 2HB LYS 10 HB1 LYS 10 -0.050 -2.487 2.377 99 1HG LYS 10 HG2 LYS 10 1.306 -4.115 3.021 100 2HG LYS 10 HG1 LYS 10 2.731 -3.117 2.727 101 1HD LYS 10 HD2 LYS 10 3.031 -3.253 4.949 102 2HD LYS 10 HD1 LYS 10 1.759 -2.033 5.035 103 1HE LYS 10 HE2 LYS 10 0.633 -3.478 6.306 104 2HE LYS 10 HE1 LYS 10 0.371 -4.416 4.837 105 1HZ LYS 10 HZ1 LYS 10 2.228 -5.774 5.325 106 2HZ LYS 10 HZ2 LYS 10 1.327 -5.674 6.753 107 3HZ LYS 10 HZ3 LYS 10 2.743 -4.764 6.582 108 H SER 11 HN SER 11 -0.390 -1.526 -0.131 109 HA SER 11 HA SER 11 0.484 -3.875 -1.474 110 1HB SER 11 HB2 SER 11 -1.554 -1.864 -2.449 111 2HB SER 11 HB1 SER 11 -1.423 -3.560 -2.912 112 HG SER 11 HG SER 11 -2.265 -2.453 -0.458 113 H PHE 12 HN PHE 12 0.579 -0.416 -2.244 114 HA PHE 12 HA PHE 12 1.589 -0.671 -4.858 115 1HB PHE 12 HB2 PHE 12 0.622 1.419 -3.891 116 2HB PHE 12 HB1 PHE 12 2.080 1.601 -2.921 117 HD1 PHE 12 HD1 PHE 12 3.477 3.232 -3.703 118 HD2 PHE 12 HD2 PHE 12 1.349 0.836 -6.504 119 HE1 PHE 12 HE1 PHE 12 4.557 4.442 -5.553 120 HE2 PHE 12 HE2 PHE 12 2.426 2.042 -8.359 121 HZ PHE 12 HZ PHE 12 4.033 3.847 -7.885 122 H SER 13 HN SER 13 3.233 -0.296 -1.738 123 HA SER 13 HA SER 13 5.853 -0.133 -2.703 124 1HB SER 13 HB2 SER 13 4.702 -1.114 -0.095 125 2HB SER 13 HB1 SER 13 6.440 -1.108 -0.396 126 HG SER 13 HG SER 13 6.148 1.184 -0.909 127 H LYS 14 HN LYS 14 3.734 -2.861 -2.220 128 HA LYS 14 HA LYS 14 5.713 -4.889 -2.380 129 1HB LYS 14 HB2 LYS 14 2.972 -4.790 -1.888 130 2HB LYS 14 HB1 LYS 14 3.105 -5.691 -3.392 131 1HG LYS 14 HG2 LYS 14 4.006 -7.482 -2.389 132 2HG LYS 14 HG1 LYS 14 4.995 -6.505 -1.301 133 1HD LYS 14 HD2 LYS 14 3.372 -6.401 0.303 134 2HD LYS 14 HD1 LYS 14 2.056 -6.513 -0.867 135 1HE LYS 14 HE2 LYS 14 3.179 -8.940 -1.184 136 2HE LYS 14 HE1 LYS 14 3.565 -8.644 0.511 137 1HZ LYS 14 HZ1 LYS 14 1.003 -7.933 0.454 138 2HZ LYS 14 HZ2 LYS 14 1.524 -9.502 0.814 139 3HZ LYS 14 HZ3 LYS 14 0.995 -9.125 -0.747 140 H ILE 15 HN ILE 15 3.777 -3.161 -4.751 141 HA ILE 15 HA ILE 15 4.485 -4.819 -6.963 142 HB ILE 15 HB ILE 15 3.543 -1.957 -7.060 143 1HG1 ILE 15 HG12 ILE 15 2.122 -3.579 -5.666 144 2HG1 ILE 15 HG11 ILE 15 1.308 -2.690 -6.943 145 1HG2 ILE 15 HG21 ILE 15 4.006 -4.060 -9.047 146 2HG2 ILE 15 HG22 ILE 15 3.945 -2.308 -9.238 147 3HG2 ILE 15 HG23 ILE 15 2.450 -3.243 -9.192 148 1HD1 ILE 15 HD11 ILE 15 2.379 -5.414 -7.502 149 2HD1 ILE 15 HD12 ILE 15 1.024 -4.562 -8.244 150 3HD1 ILE 15 HD13 ILE 15 0.864 -5.227 -6.619 151 H GLN 16 HN GLN 16 5.884 -2.011 -5.427 152 HA GLN 16 HA GLN 16 7.570 -1.137 -7.485 153 1HB GLN 16 HB2 GLN 16 7.415 -0.799 -4.560 154 2HB GLN 16 HB1 GLN 16 9.017 -0.574 -5.246 155 1HG GLN 16 HG2 GLN 16 7.931 1.020 -6.890 156 2HG GLN 16 HG1 GLN 16 6.504 0.945 -5.858 157 1HE2 GLN 16 HE21 GLN 16 9.997 1.157 -5.259 158 2HE2 GLN 16 HE22 GLN 16 9.909 2.536 -4.223 159 H ASN 17 HN ASN 17 7.894 -3.750 -5.174 160 HA ASN 17 HA ASN 17 10.657 -4.258 -5.748 161 1HB ASN 17 HB2 ASN 17 9.283 -4.875 -3.622 162 2HB ASN 17 HB1 ASN 17 8.802 -6.292 -4.549 163 1HD2 ASN 17 HD21 ASN 17 10.480 -7.704 -5.319 164 2HD2 ASN 17 HD22 ASN 17 11.959 -7.837 -4.438 165 H ASP 18 HN ASP 18 7.566 -5.530 -6.853 166 HA ASP 18 HA ASP 18 8.603 -7.725 -8.308 167 1HB ASP 18 HB2 ASP 18 6.010 -6.283 -8.164 168 2HB ASP 18 HB1 ASP 18 6.308 -7.237 -9.615 169 H LYS 19 HN LYS 19 7.460 -4.533 -9.416 170 HA LYS 19 HA LYS 19 8.796 -4.967 -11.978 171 1HB LYS 19 HB2 LYS 19 6.377 -3.881 -11.421 172 2HB LYS 19 HB1 LYS 19 7.363 -2.427 -11.485 173 1HG LYS 19 HG2 LYS 19 8.076 -2.955 -13.726 174 2HG LYS 19 HG1 LYS 19 7.216 -4.495 -13.668 175 1HD LYS 19 HD2 LYS 19 5.561 -3.343 -14.666 176 2HD LYS 19 HD1 LYS 19 5.226 -2.762 -13.034 177 1HE LYS 19 HE2 LYS 19 5.339 -0.949 -14.719 178 2HE LYS 19 HE1 LYS 19 6.518 -0.772 -13.420 179 1HZ LYS 19 HZ1 LYS 19 7.344 -2.172 -15.856 180 2HZ LYS 19 HZ2 LYS 19 8.252 -1.204 -14.809 181 3HZ LYS 19 HZ3 LYS 19 7.197 -0.487 -15.919 182 1HN NH2 20 NH1 NH2 20 10.577 -4.710 -9.934 183 2HN NH2 20 NH2 NH2 20 11.401 -3.196 -10.043 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 -12.395 4.189 8.108 2 2H ALA 1 HT2 ALA 1 -11.963 3.785 9.720 3 3H ALA 1 HT3 ALA 1 -10.854 3.514 8.438 4 HA ALA 1 HA ALA 1 -11.856 6.127 9.345 5 1HB ALA 1 HB1 ALA 1 -10.300 4.891 10.899 6 2HB ALA 1 HB2 ALA 1 -9.742 6.473 10.352 7 3HB ALA 1 HB3 ALA 1 -9.079 5.006 9.632 8 H LYS 2 HN LYS 2 -9.898 7.702 8.608 9 HA LYS 2 HA LYS 2 -9.831 7.418 5.692 10 1HB LYS 2 HB2 LYS 2 -10.271 9.617 7.468 11 2HB LYS 2 HB1 LYS 2 -8.845 9.958 6.499 12 1HG LYS 2 HG2 LYS 2 -10.190 10.617 4.872 13 2HG LYS 2 HG1 LYS 2 -10.728 8.945 4.704 14 1HD LYS 2 HD2 LYS 2 -12.631 9.292 5.975 15 2HD LYS 2 HD1 LYS 2 -11.950 10.699 6.794 16 1HE LYS 2 HE2 LYS 2 -12.458 12.119 5.074 17 2HE LYS 2 HE1 LYS 2 -12.358 10.851 3.854 18 1HZ LYS 2 HZ1 LYS 2 -14.631 11.806 5.281 19 2HZ LYS 2 HZ2 LYS 2 -14.467 10.131 5.452 20 3HZ LYS 2 HZ3 LYS 2 -14.563 10.817 3.910 21 H LYS 3 HN LYS 3 -8.016 5.955 7.443 22 HA LYS 3 HA LYS 3 -5.485 6.977 6.337 23 1HB LYS 3 HB2 LYS 3 -5.840 7.447 8.860 24 2HB LYS 3 HB1 LYS 3 -5.599 5.719 9.072 25 1HG LYS 3 HG2 LYS 3 -3.507 6.718 9.449 26 2HG LYS 3 HG1 LYS 3 -3.413 6.000 7.840 27 1HD LYS 3 HD2 LYS 3 -4.142 8.337 7.011 28 2HD LYS 3 HD1 LYS 3 -3.642 8.887 8.612 29 1HE LYS 3 HE2 LYS 3 -1.415 7.916 8.227 30 2HE LYS 3 HE1 LYS 3 -1.923 7.421 6.613 31 1HZ LYS 3 HZ1 LYS 3 -2.140 9.669 5.950 32 2HZ LYS 3 HZ2 LYS 3 -0.638 9.540 6.717 33 3HZ LYS 3 HZ3 LYS 3 -1.945 10.240 7.531 34 H VAL 4 HN VAL 4 -7.561 4.648 5.933 35 HA VAL 4 HA VAL 4 -6.212 2.229 6.375 36 HB VAL 4 HB VAL 4 -8.550 2.283 5.619 37 1HG1 VAL 4 HG11 VAL 4 -7.360 3.755 3.370 38 2HG1 VAL 4 HG12 VAL 4 -8.976 3.857 4.070 39 3HG1 VAL 4 HG13 VAL 4 -8.588 2.569 2.929 40 1HG2 VAL 4 HG21 VAL 4 -8.412 0.277 4.600 41 2HG2 VAL 4 HG22 VAL 4 -6.690 0.444 4.942 42 3HG2 VAL 4 HG23 VAL 4 -7.318 0.869 3.350 43 H PHE 5 HN PHE 5 -5.602 4.850 4.361 44 HA PHE 5 HA PHE 5 -4.327 4.057 2.138 45 1HB PHE 5 HB2 PHE 5 -4.627 6.399 3.122 46 2HB PHE 5 HB1 PHE 5 -3.146 6.088 4.016 47 HD1 PHE 5 HD1 PHE 5 -4.402 5.849 0.506 48 HD2 PHE 5 HD2 PHE 5 -1.192 6.872 3.107 49 HE1 PHE 5 HE1 PHE 5 -3.079 6.600 -1.428 50 HE2 PHE 5 HE2 PHE 5 0.136 7.626 1.178 51 HZ PHE 5 HZ PHE 5 -0.807 7.490 -1.093 52 H LYS 6 HN LYS 6 -3.216 3.736 5.392 53 HA LYS 6 HA LYS 6 -0.518 3.147 4.927 54 1HB LYS 6 HB2 LYS 6 -2.059 3.413 7.158 55 2HB LYS 6 HB1 LYS 6 -1.808 1.672 7.135 56 1HG LYS 6 HG2 LYS 6 0.706 2.434 6.734 57 2HG LYS 6 HG1 LYS 6 0.126 3.867 7.585 58 1HD LYS 6 HD2 LYS 6 -0.798 1.476 8.898 59 2HD LYS 6 HD1 LYS 6 0.955 1.432 8.703 60 1HE LYS 6 HE2 LYS 6 -0.645 3.656 9.966 61 2HE LYS 6 HE1 LYS 6 0.341 2.469 10.819 62 1HZ LYS 6 HZ1 LYS 6 2.249 3.357 9.434 63 2HZ LYS 6 HZ2 LYS 6 1.665 4.371 10.655 64 3HZ LYS 6 HZ3 LYS 6 1.239 4.658 9.044 65 H ARG 7 HN ARG 7 -3.342 1.003 5.218 66 HA ARG 7 HA ARG 7 -1.938 -1.402 4.778 67 1HB ARG 7 HB2 ARG 7 -4.781 -0.543 4.666 68 2HB ARG 7 HB1 ARG 7 -4.364 -2.016 3.801 69 1HG ARG 7 HG2 ARG 7 -3.392 -1.756 6.586 70 2HG ARG 7 HG1 ARG 7 -5.120 -2.019 6.343 71 1HD ARG 7 HD2 ARG 7 -4.760 -4.065 5.240 72 2HD ARG 7 HD1 ARG 7 -3.046 -3.728 5.002 73 HE ARG 7 HE ARG 7 -3.298 -3.778 7.694 74 1HH1 ARG 7 HH11 ARG 7 -4.226 -5.999 5.168 75 2HH1 ARG 7 HH12 ARG 7 -4.050 -7.403 6.165 76 1HH2 ARG 7 HH21 ARG 7 -3.065 -5.624 9.008 77 2HH2 ARG 7 HH22 ARG 7 -3.392 -7.191 8.345 78 H LEU 8 HN LEU 8 -3.510 0.893 2.610 79 HA LEU 8 HA LEU 8 -3.111 -0.575 0.225 80 1HB LEU 8 HB2 LEU 8 -3.903 2.165 0.960 81 2HB LEU 8 HB1 LEU 8 -3.097 2.034 -0.592 82 HG LEU 8 HG LEU 8 -5.288 0.105 -0.095 83 1HD1 LEU 8 HD11 LEU 8 -5.872 2.997 -0.704 84 2HD1 LEU 8 HD12 LEU 8 -6.149 2.229 0.859 85 3HD1 LEU 8 HD13 LEU 8 -7.036 1.679 -0.564 86 1HD2 LEU 8 HD21 LEU 8 -3.769 0.714 -2.228 87 2HD2 LEU 8 HD22 LEU 8 -5.138 1.790 -2.511 88 3HD2 LEU 8 HD23 LEU 8 -5.399 0.053 -2.348 89 H GLU 9 HN GLU 9 -1.225 1.901 1.918 90 HA GLU 9 HA GLU 9 0.827 2.122 -0.007 91 1HB GLU 9 HB2 GLU 9 0.234 3.431 2.298 92 2HB GLU 9 HB1 GLU 9 1.589 2.446 2.831 93 1HG GLU 9 HG2 GLU 9 2.921 3.355 0.948 94 2HG GLU 9 HG1 GLU 9 1.573 4.425 0.566 95 H LYS 10 HN LYS 10 0.145 -0.212 2.484 96 HA LYS 10 HA LYS 10 2.745 -1.370 2.602 97 1HB LYS 10 HB2 LYS 10 0.058 -1.988 3.642 98 2HB LYS 10 HB1 LYS 10 1.068 -3.396 3.344 99 1HG LYS 10 HG2 LYS 10 2.308 -3.005 5.144 100 2HG LYS 10 HG1 LYS 10 2.515 -1.303 4.728 101 1HD LYS 10 HD2 LYS 10 1.388 -1.343 6.810 102 2HD LYS 10 HD1 LYS 10 0.170 -0.936 5.599 103 1HE LYS 10 HE2 LYS 10 -0.963 -2.864 5.902 104 2HE LYS 10 HE1 LYS 10 0.505 -3.810 6.143 105 1HZ LYS 10 HZ1 LYS 10 0.601 -3.222 8.382 106 2HZ LYS 10 HZ2 LYS 10 -1.043 -3.518 8.118 107 3HZ LYS 10 HZ3 LYS 10 -0.474 -1.928 8.201 108 H SER 11 HN SER 11 -0.193 -2.052 0.763 109 HA SER 11 HA SER 11 0.816 -4.383 -0.519 110 1HB SER 11 HB2 SER 11 -1.656 -3.427 -0.253 111 2HB SER 11 HB1 SER 11 -1.291 -2.729 -1.831 112 HG SER 11 HG SER 11 -1.197 -5.471 -1.105 113 H PHE 12 HN PHE 12 0.866 -0.953 -1.254 114 HA PHE 12 HA PHE 12 1.606 -1.074 -3.947 115 1HB PHE 12 HB2 PHE 12 1.229 0.933 -2.048 116 2HB PHE 12 HB1 PHE 12 2.911 1.108 -2.536 117 HD1 PHE 12 HD1 PHE 12 3.491 1.948 -4.672 118 HD2 PHE 12 HD2 PHE 12 -0.571 1.085 -3.741 119 HE1 PHE 12 HE1 PHE 12 2.777 3.130 -6.709 120 HE2 PHE 12 HE2 PHE 12 -1.292 2.265 -5.777 121 HZ PHE 12 HZ PHE 12 0.383 3.288 -7.264 122 H SER 13 HN SER 13 3.496 -1.437 -1.020 123 HA SER 13 HA SER 13 6.063 -1.148 -2.097 124 1HB SER 13 HB2 SER 13 5.061 -2.801 0.228 125 2HB SER 13 HB1 SER 13 6.771 -2.608 -0.157 126 HG SER 13 HG SER 13 6.276 -0.262 -0.038 127 H LYS 14 HN LYS 14 3.857 -3.877 -2.049 128 HA LYS 14 HA LYS 14 5.695 -5.844 -2.909 129 1HB LYS 14 HB2 LYS 14 2.707 -5.616 -2.904 130 2HB LYS 14 HB1 LYS 14 3.478 -6.945 -3.759 131 1HG LYS 14 HG2 LYS 14 3.893 -8.047 -1.873 132 2HG LYS 14 HG1 LYS 14 4.533 -6.608 -1.078 133 1HD LYS 14 HD2 LYS 14 1.983 -5.938 -0.995 134 2HD LYS 14 HD1 LYS 14 1.755 -7.684 -1.124 135 1HE LYS 14 HE2 LYS 14 1.829 -6.814 1.218 136 2HE LYS 14 HE1 LYS 14 3.014 -8.070 0.864 137 1HZ LYS 14 HZ1 LYS 14 4.733 -6.636 1.070 138 2HZ LYS 14 HZ2 LYS 14 3.649 -5.828 2.087 139 3HZ LYS 14 HZ3 LYS 14 3.863 -5.304 0.493 140 H ILE 15 HN ILE 15 3.891 -3.383 -4.571 141 HA ILE 15 HA ILE 15 4.174 -4.518 -7.188 142 HB ILE 15 HB ILE 15 3.612 -1.632 -6.514 143 1HG1 ILE 15 HG12 ILE 15 1.624 -3.883 -6.886 144 2HG1 ILE 15 HG11 ILE 15 2.060 -3.180 -5.332 145 1HG2 ILE 15 HG21 ILE 15 2.391 -2.935 -8.853 146 2HG2 ILE 15 HG22 ILE 15 4.140 -2.721 -8.926 147 3HG2 ILE 15 HG23 ILE 15 3.090 -1.325 -8.683 148 1HD1 ILE 15 HD11 ILE 15 1.185 -1.022 -6.070 149 2HD1 ILE 15 HD12 ILE 15 -0.042 -2.287 -6.133 150 3HD1 ILE 15 HD13 ILE 15 0.737 -1.739 -7.617 151 H GLN 16 HN GLN 16 6.062 -2.403 -5.157 152 HA GLN 16 HA GLN 16 7.674 -1.147 -7.043 153 1HB GLN 16 HB2 GLN 16 7.942 -1.856 -4.175 154 2HB GLN 16 HB1 GLN 16 9.427 -1.462 -5.029 155 1HG GLN 16 HG2 GLN 16 7.247 0.419 -5.516 156 2HG GLN 16 HG1 GLN 16 7.763 0.332 -3.833 157 1HE2 GLN 16 HE21 GLN 16 9.832 0.981 -3.276 158 2HE2 GLN 16 HE22 GLN 16 10.835 1.896 -4.344 159 H ASN 17 HN ASN 17 7.739 -4.421 -5.846 160 HA ASN 17 HA ASN 17 10.346 -5.092 -6.741 161 1HB ASN 17 HB2 ASN 17 8.597 -6.334 -5.139 162 2HB ASN 17 HB1 ASN 17 8.243 -7.195 -6.634 163 1HD2 ASN 17 HD21 ASN 17 10.111 -8.138 -7.765 164 2HD2 ASN 17 HD22 ASN 17 11.398 -8.789 -6.814 165 H ASP 18 HN ASP 18 7.203 -5.020 -8.266 166 HA ASP 18 HA ASP 18 8.002 -6.508 -10.585 167 1HB ASP 18 HB2 ASP 18 5.565 -5.110 -9.659 168 2HB ASP 18 HB1 ASP 18 5.781 -5.189 -11.405 169 H LYS 19 HN LYS 19 7.902 -3.138 -9.656 170 HA LYS 19 HA LYS 19 8.153 -1.969 -12.193 171 1HB LYS 19 HB2 LYS 19 9.275 -0.952 -9.577 172 2HB LYS 19 HB1 LYS 19 8.969 0.006 -11.019 173 1HG LYS 19 HG2 LYS 19 6.727 -1.495 -9.750 174 2HG LYS 19 HG1 LYS 19 7.277 0.025 -9.044 175 1HD LYS 19 HD2 LYS 19 6.091 1.147 -10.553 176 2HD LYS 19 HD1 LYS 19 7.047 0.415 -11.843 177 1HE LYS 19 HE2 LYS 19 4.668 -0.927 -10.574 178 2HE LYS 19 HE1 LYS 19 4.554 0.089 -12.011 179 1HZ LYS 19 HZ1 LYS 19 4.714 -2.207 -12.648 180 2HZ LYS 19 HZ2 LYS 19 6.129 -2.415 -11.744 181 3HZ LYS 19 HZ3 LYS 19 6.137 -1.415 -13.108 182 1HN NH2 20 NH1 NH2 20 9.816 -1.686 -13.540 183 2HN NH2 20 NH2 NH2 20 11.445 -2.174 -13.238 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 -8.136 8.544 9.065 2 2H ALA 1 HT2 ALA 1 -7.931 7.014 9.814 3 3H ALA 1 HT3 ALA 1 -8.787 8.261 10.625 4 HA ALA 1 HA ALA 1 -10.101 6.435 9.559 5 1HB ALA 1 HB1 ALA 1 -10.872 8.733 10.359 6 2HB ALA 1 HB2 ALA 1 -11.894 7.894 9.193 7 3HB ALA 1 HB3 ALA 1 -10.837 9.201 8.659 8 H LYS 2 HN LYS 2 -9.033 9.017 7.338 9 HA LYS 2 HA LYS 2 -9.601 7.246 5.077 10 1HB LYS 2 HB2 LYS 2 -10.214 9.847 5.389 11 2HB LYS 2 HB1 LYS 2 -8.644 10.014 4.616 12 1HG LYS 2 HG2 LYS 2 -9.403 8.675 2.737 13 2HG LYS 2 HG1 LYS 2 -10.968 8.445 3.519 14 1HD LYS 2 HD2 LYS 2 -11.474 10.775 3.350 15 2HD LYS 2 HD1 LYS 2 -9.835 11.146 2.810 16 1HE LYS 2 HE2 LYS 2 -11.295 9.172 1.184 17 2HE LYS 2 HE1 LYS 2 -11.946 10.810 1.152 18 1HZ LYS 2 HZ1 LYS 2 -9.282 9.868 0.301 19 2HZ LYS 2 HZ2 LYS 2 -9.536 11.492 0.700 20 3HZ LYS 2 HZ3 LYS 2 -10.410 10.787 -0.565 21 H LYS 3 HN LYS 3 -7.360 6.649 6.721 22 HA LYS 3 HA LYS 3 -5.180 7.097 4.779 23 1HB LYS 3 HB2 LYS 3 -5.207 8.116 7.334 24 2HB LYS 3 HB1 LYS 3 -4.335 6.606 7.553 25 1HG LYS 3 HG2 LYS 3 -2.504 7.417 6.593 26 2HG LYS 3 HG1 LYS 3 -3.413 8.050 5.220 27 1HD LYS 3 HD2 LYS 3 -4.134 9.783 7.192 28 2HD LYS 3 HD1 LYS 3 -2.472 9.402 7.650 29 1HE LYS 3 HE2 LYS 3 -3.032 10.031 4.800 30 2HE LYS 3 HE1 LYS 3 -3.051 11.359 5.959 31 1HZ LYS 3 HZ1 LYS 3 -0.830 11.071 6.454 32 2HZ LYS 3 HZ2 LYS 3 -0.857 10.750 4.794 33 3HZ LYS 3 HZ3 LYS 3 -0.788 9.472 5.900 34 H VAL 4 HN VAL 4 -7.208 4.844 5.437 35 HA VAL 4 HA VAL 4 -5.787 2.618 6.387 36 HB VAL 4 HB VAL 4 -7.835 2.514 4.168 37 1HG1 VAL 4 HG11 VAL 4 -8.172 0.300 4.732 38 2HG1 VAL 4 HG12 VAL 4 -7.519 0.505 6.357 39 3HG1 VAL 4 HG13 VAL 4 -6.434 0.475 4.968 40 1HG2 VAL 4 HG21 VAL 4 -8.914 2.051 6.808 41 2HG2 VAL 4 HG22 VAL 4 -9.474 3.141 5.540 42 3HG2 VAL 4 HG23 VAL 4 -8.230 3.671 6.672 43 H PHE 5 HN PHE 5 -5.534 4.487 3.599 44 HA PHE 5 HA PHE 5 -4.580 2.998 1.573 45 1HB PHE 5 HB2 PHE 5 -4.807 5.542 1.807 46 2HB PHE 5 HB1 PHE 5 -3.193 5.499 2.503 47 HD1 PHE 5 HD1 PHE 5 -4.862 3.938 -0.455 48 HD2 PHE 5 HD2 PHE 5 -1.559 6.163 1.044 49 HE1 PHE 5 HE1 PHE 5 -3.890 4.009 -2.714 50 HE2 PHE 5 HE2 PHE 5 -0.580 6.239 -1.213 51 HZ PHE 5 HZ PHE 5 -1.747 5.161 -3.095 52 H LYS 6 HN LYS 6 -3.018 3.700 4.569 53 HA LYS 6 HA LYS 6 -0.389 2.972 3.952 54 1HB LYS 6 HB2 LYS 6 -1.164 4.103 6.065 55 2HB LYS 6 HB1 LYS 6 -1.765 2.543 6.609 56 1HG LYS 6 HG2 LYS 6 0.573 1.665 6.347 57 2HG LYS 6 HG1 LYS 6 1.087 3.332 6.080 58 1HD LYS 6 HD2 LYS 6 1.280 3.522 8.292 59 2HD LYS 6 HD1 LYS 6 -0.481 3.443 8.377 60 1HE LYS 6 HE2 LYS 6 1.278 1.000 8.362 61 2HE LYS 6 HE1 LYS 6 0.777 1.814 9.844 62 1HZ LYS 6 HZ1 LYS 6 -1.345 1.147 7.975 63 2HZ LYS 6 HZ2 LYS 6 -1.316 1.044 9.663 64 3HZ LYS 6 HZ3 LYS 6 -0.591 -0.167 8.730 65 H ARG 7 HN ARG 7 -3.094 1.032 5.206 66 HA ARG 7 HA ARG 7 -1.675 -1.403 5.342 67 1HB ARG 7 HB2 ARG 7 -4.589 -0.702 5.141 68 2HB ARG 7 HB1 ARG 7 -4.071 -2.379 5.039 69 1HG ARG 7 HG2 ARG 7 -3.018 -2.192 7.235 70 2HG ARG 7 HG1 ARG 7 -3.534 -0.508 7.337 71 1HD ARG 7 HD2 ARG 7 -5.313 -1.367 8.411 72 2HD ARG 7 HD1 ARG 7 -5.887 -1.726 6.783 73 HE ARG 7 HE ARG 7 -5.728 -3.929 7.313 74 1HH1 ARG 7 HH11 ARG 7 -3.480 -2.178 9.328 75 2HH1 ARG 7 HH12 ARG 7 -2.976 -3.584 10.204 76 1HH2 ARG 7 HH21 ARG 7 -5.067 -5.780 8.465 77 2HH2 ARG 7 HH22 ARG 7 -3.877 -5.630 9.714 78 H LEU 8 HN LEU 8 -3.580 0.125 2.794 79 HA LEU 8 HA LEU 8 -3.398 -1.995 0.931 80 1HB LEU 8 HB2 LEU 8 -3.738 0.975 0.477 81 2HB LEU 8 HB1 LEU 8 -3.945 -0.254 -0.757 82 HG LEU 8 HG LEU 8 -5.596 -0.242 1.758 83 1HD1 LEU 8 HD11 LEU 8 -6.789 0.796 -0.726 84 2HD1 LEU 8 HD12 LEU 8 -5.635 1.861 0.078 85 3HD1 LEU 8 HD13 LEU 8 -7.051 1.275 0.951 86 1HD2 LEU 8 HD21 LEU 8 -7.137 -1.308 -0.146 87 2HD2 LEU 8 HD22 LEU 8 -6.014 -2.263 0.822 88 3HD2 LEU 8 HD23 LEU 8 -5.553 -1.733 -0.796 89 H GLU 9 HN GLU 9 -1.411 0.850 1.603 90 HA GLU 9 HA GLU 9 0.391 0.548 -0.539 91 1HB GLU 9 HB2 GLU 9 0.060 2.469 1.260 92 2HB GLU 9 HB1 GLU 9 1.342 1.598 2.090 93 1HG GLU 9 HG2 GLU 9 1.919 2.036 -0.724 94 2HG GLU 9 HG1 GLU 9 1.668 3.535 0.170 95 H LYS 10 HN LYS 10 0.086 -1.068 2.533 96 HA LYS 10 HA LYS 10 2.712 -2.169 2.608 97 1HB LYS 10 HB2 LYS 10 0.192 -2.500 4.103 98 2HB LYS 10 HB1 LYS 10 1.211 -3.932 4.051 99 1HG LYS 10 HG2 LYS 10 2.597 -1.422 4.700 100 2HG LYS 10 HG1 LYS 10 1.426 -1.982 5.896 101 1HD LYS 10 HD2 LYS 10 2.542 -4.175 5.932 102 2HD LYS 10 HD1 LYS 10 3.730 -3.576 4.772 103 1HE LYS 10 HE2 LYS 10 3.374 -1.911 7.168 104 2HE LYS 10 HE1 LYS 10 4.039 -3.516 7.468 105 1HZ LYS 10 HZ1 LYS 10 5.208 -1.256 6.052 106 2HZ LYS 10 HZ2 LYS 10 5.522 -2.788 5.406 107 3HZ LYS 10 HZ3 LYS 10 5.952 -2.441 7.004 108 H SER 11 HN SER 11 -0.430 -3.359 1.483 109 HA SER 11 HA SER 11 0.538 -5.903 0.655 110 1HB SER 11 HB2 SER 11 -1.932 -4.954 1.087 111 2HB SER 11 HB1 SER 11 -1.865 -4.746 -0.663 112 HG SER 11 HG SER 11 -2.569 -6.779 -0.434 113 H PHE 12 HN PHE 12 0.392 -2.752 -0.812 114 HA PHE 12 HA PHE 12 0.881 -3.733 -3.485 115 1HB PHE 12 HB2 PHE 12 -0.058 -1.323 -2.351 116 2HB PHE 12 HB1 PHE 12 1.431 -0.925 -3.200 117 HD1 PHE 12 HD1 PHE 12 1.408 -0.596 -5.492 118 HD2 PHE 12 HD2 PHE 12 -1.814 -2.679 -3.652 119 HE1 PHE 12 HE1 PHE 12 0.189 -0.588 -7.629 120 HE2 PHE 12 HE2 PHE 12 -3.040 -2.675 -5.785 121 HZ PHE 12 HZ PHE 12 -2.038 -1.629 -7.777 122 H SER 13 HN SER 13 2.824 -3.672 -0.892 123 HA SER 13 HA SER 13 5.137 -2.320 -1.631 124 1HB SER 13 HB2 SER 13 4.627 -3.474 0.587 125 2HB SER 13 HB1 SER 13 5.138 -4.973 -0.190 126 HG SER 13 HG SER 13 7.151 -3.877 -0.646 127 H LYS 14 HN LYS 14 3.968 -5.504 -2.572 128 HA LYS 14 HA LYS 14 6.299 -6.445 -3.818 129 1HB LYS 14 HB2 LYS 14 3.442 -7.146 -3.813 130 2HB LYS 14 HB1 LYS 14 4.293 -7.590 -5.286 131 1HG LYS 14 HG2 LYS 14 6.043 -8.584 -3.610 132 2HG LYS 14 HG1 LYS 14 4.666 -8.582 -2.506 133 1HD LYS 14 HD2 LYS 14 3.380 -9.928 -4.055 134 2HD LYS 14 HD1 LYS 14 4.686 -9.858 -5.240 135 1HE LYS 14 HE2 LYS 14 4.860 -11.966 -4.178 136 2HE LYS 14 HE1 LYS 14 6.152 -10.967 -3.515 137 1HZ LYS 14 HZ1 LYS 14 5.139 -10.835 -1.489 138 2HZ LYS 14 HZ2 LYS 14 4.620 -12.373 -1.962 139 3HZ LYS 14 HZ3 LYS 14 3.580 -11.048 -2.110 140 H ILE 15 HN ILE 15 3.643 -4.455 -5.017 141 HA ILE 15 HA ILE 15 4.710 -4.375 -7.701 142 HB ILE 15 HB ILE 15 2.529 -2.634 -6.559 143 1HG1 ILE 15 HG12 ILE 15 2.265 -5.343 -7.884 144 2HG1 ILE 15 HG11 ILE 15 2.023 -5.023 -6.169 145 1HG2 ILE 15 HG21 ILE 15 2.945 -1.712 -8.594 146 2HG2 ILE 15 HG22 ILE 15 1.844 -2.993 -9.101 147 3HG2 ILE 15 HG23 ILE 15 3.586 -3.211 -9.267 148 1HD1 ILE 15 HD11 ILE 15 0.375 -3.962 -8.450 149 2HD1 ILE 15 HD12 ILE 15 0.163 -3.511 -6.758 150 3HD1 ILE 15 HD13 ILE 15 -0.102 -5.179 -7.266 151 H GLN 16 HN GLN 16 4.755 -2.385 -4.827 152 HA GLN 16 HA GLN 16 5.608 0.031 -5.974 153 1HB GLN 16 HB2 GLN 16 4.997 -0.837 -3.433 154 2HB GLN 16 HB1 GLN 16 6.725 -0.533 -3.324 155 1HG GLN 16 HG2 GLN 16 5.149 1.569 -4.645 156 2HG GLN 16 HG1 GLN 16 4.828 1.333 -2.927 157 1HE2 GLN 16 HE21 GLN 16 5.811 3.691 -3.597 158 2HE2 GLN 16 HE22 GLN 16 7.477 3.839 -3.162 159 H ASN 17 HN ASN 17 7.347 -2.862 -5.039 160 HA ASN 17 HA ASN 17 9.951 -1.692 -5.300 161 1HB ASN 17 HB2 ASN 17 8.927 -4.051 -4.222 162 2HB ASN 17 HB1 ASN 17 9.888 -4.585 -5.598 163 1HD2 ASN 17 HD21 ASN 17 10.043 -4.180 -2.428 164 2HD2 ASN 17 HD22 ASN 17 11.710 -3.774 -2.229 165 H ASP 18 HN ASP 18 7.876 -3.711 -7.335 166 HA ASP 18 HA ASP 18 9.814 -3.839 -9.462 167 1HB ASP 18 HB2 ASP 18 7.763 -5.450 -8.784 168 2HB ASP 18 HB1 ASP 18 6.970 -4.475 -10.018 169 H LYS 19 HN LYS 19 10.131 -2.351 -10.971 170 HA LYS 19 HA LYS 19 8.600 0.036 -11.079 171 1HB LYS 19 HB2 LYS 19 11.113 -0.601 -11.823 172 2HB LYS 19 HB1 LYS 19 10.318 -0.655 -13.390 173 1HG LYS 19 HG2 LYS 19 10.406 1.548 -13.533 174 2HG LYS 19 HG1 LYS 19 9.473 1.701 -12.043 175 1HD LYS 19 HD2 LYS 19 11.296 2.167 -10.803 176 2HD LYS 19 HD1 LYS 19 12.304 1.006 -11.668 177 1HE LYS 19 HE2 LYS 19 12.825 2.526 -13.352 178 2HE LYS 19 HE1 LYS 19 11.448 3.561 -12.974 179 1HZ LYS 19 HZ1 LYS 19 12.577 4.621 -11.359 180 2HZ LYS 19 HZ2 LYS 19 13.936 4.100 -12.221 181 3HZ LYS 19 HZ3 LYS 19 13.416 3.238 -10.861 182 1HN NH2 20 NH1 NH2 20 6.623 0.129 -11.876 183 2HN NH2 20 NH2 NH2 20 6.057 -0.655 -13.308 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 -11.836 8.280 10.595 2 2H ALA 1 HT2 ALA 1 -12.651 7.180 9.560 3 3H ALA 1 HT3 ALA 1 -11.768 8.494 8.896 4 HA ALA 1 HA ALA 1 -9.798 7.488 10.091 5 1HB ALA 1 HB1 ALA 1 -11.882 5.403 10.349 6 2HB ALA 1 HB2 ALA 1 -10.516 5.781 11.399 7 3HB ALA 1 HB3 ALA 1 -10.260 4.865 9.913 8 H LYS 2 HN LYS 2 -9.409 8.479 7.983 9 HA LYS 2 HA LYS 2 -9.720 6.661 5.705 10 1HB LYS 2 HB2 LYS 2 -10.277 9.272 5.806 11 2HB LYS 2 HB1 LYS 2 -8.578 9.387 5.366 12 1HG LYS 2 HG2 LYS 2 -9.144 7.742 3.490 13 2HG LYS 2 HG1 LYS 2 -10.829 8.137 3.836 14 1HD LYS 2 HD2 LYS 2 -9.082 10.474 3.582 15 2HD LYS 2 HD1 LYS 2 -9.207 9.507 2.111 16 1HE LYS 2 HE2 LYS 2 -11.392 10.016 1.801 17 2HE LYS 2 HE1 LYS 2 -11.736 10.060 3.530 18 1HZ LYS 2 HZ1 LYS 2 -11.619 12.228 1.994 19 2HZ LYS 2 HZ2 LYS 2 -10.017 12.176 2.533 20 3HZ LYS 2 HZ3 LYS 2 -11.283 12.245 3.652 21 H LYS 3 HN LYS 3 -7.807 6.016 7.702 22 HA LYS 3 HA LYS 3 -5.245 6.609 6.371 23 1HB LYS 3 HB2 LYS 3 -5.704 6.974 8.928 24 2HB LYS 3 HB1 LYS 3 -5.461 5.236 9.034 25 1HG LYS 3 HG2 LYS 3 -3.235 5.377 8.431 26 2HG LYS 3 HG1 LYS 3 -3.440 6.948 7.655 27 1HD LYS 3 HD2 LYS 3 -4.125 7.584 10.177 28 2HD LYS 3 HD1 LYS 3 -2.986 6.274 10.495 29 1HE LYS 3 HE2 LYS 3 -1.769 8.333 10.489 30 2HE LYS 3 HE1 LYS 3 -1.343 7.440 9.030 31 1HZ LYS 3 HZ1 LYS 3 -3.350 8.893 8.108 32 2HZ LYS 3 HZ2 LYS 3 -1.749 9.436 8.092 33 3HZ LYS 3 HZ3 LYS 3 -2.800 9.943 9.316 34 H VAL 4 HN VAL 4 -7.493 4.418 5.899 35 HA VAL 4 HA VAL 4 -6.281 1.913 6.260 36 HB VAL 4 HB VAL 4 -7.955 2.664 3.860 37 1HG1 VAL 4 HG11 VAL 4 -8.249 0.057 5.202 38 2HG1 VAL 4 HG12 VAL 4 -6.711 0.331 4.384 39 3HG1 VAL 4 HG13 VAL 4 -8.222 0.456 3.484 40 1HG2 VAL 4 HG21 VAL 4 -9.758 1.610 5.554 41 2HG2 VAL 4 HG22 VAL 4 -9.464 3.342 5.399 42 3HG2 VAL 4 HG23 VAL 4 -8.704 2.432 6.704 43 H PHE 5 HN PHE 5 -5.535 4.554 4.321 44 HA PHE 5 HA PHE 5 -4.311 3.735 2.070 45 1HB PHE 5 HB2 PHE 5 -4.510 6.072 3.124 46 2HB PHE 5 HB1 PHE 5 -3.011 5.681 3.956 47 HD1 PHE 5 HD1 PHE 5 -1.007 4.998 2.488 48 HD2 PHE 5 HD2 PHE 5 -4.461 6.983 0.991 49 HE1 PHE 5 HE1 PHE 5 0.276 5.742 0.525 50 HE2 PHE 5 HE2 PHE 5 -3.185 7.729 -0.975 51 HZ PHE 5 HZ PHE 5 -0.813 7.108 -1.210 52 H LYS 6 HN LYS 6 -3.234 3.289 5.317 53 HA LYS 6 HA LYS 6 -0.558 2.603 4.862 54 1HB LYS 6 HB2 LYS 6 -1.667 3.051 7.100 55 2HB LYS 6 HB1 LYS 6 -2.313 1.418 7.015 56 1HG LYS 6 HG2 LYS 6 -0.438 1.078 8.276 57 2HG LYS 6 HG1 LYS 6 0.195 0.766 6.658 58 1HD LYS 6 HD2 LYS 6 0.303 3.552 7.690 59 2HD LYS 6 HD1 LYS 6 1.433 2.376 8.362 60 1HE LYS 6 HE2 LYS 6 1.405 2.055 5.541 61 2HE LYS 6 HE1 LYS 6 1.577 3.774 5.889 62 1HZ LYS 6 HZ1 LYS 6 3.739 3.154 5.995 63 2HZ LYS 6 HZ2 LYS 6 3.398 1.568 6.472 64 3HZ LYS 6 HZ3 LYS 6 3.326 2.824 7.602 65 H ARG 7 HN ARG 7 -3.489 0.600 4.984 66 HA ARG 7 HA ARG 7 -2.191 -1.865 4.537 67 1HB ARG 7 HB2 ARG 7 -4.991 -0.866 4.254 68 2HB ARG 7 HB1 ARG 7 -4.573 -2.396 3.494 69 1HG ARG 7 HG2 ARG 7 -4.066 -3.406 5.547 70 2HG ARG 7 HG1 ARG 7 -3.989 -1.855 6.385 71 1HD ARG 7 HD2 ARG 7 -6.474 -1.634 5.702 72 2HD ARG 7 HD1 ARG 7 -6.390 -3.375 5.438 73 HE ARG 7 HE ARG 7 -6.409 -2.000 7.964 74 1HH1 ARG 7 HH11 ARG 7 -5.512 -4.938 6.308 75 2HH1 ARG 7 HH12 ARG 7 -5.546 -5.905 7.743 76 1HH2 ARG 7 HH21 ARG 7 -6.455 -3.271 9.853 77 2HH2 ARG 7 HH22 ARG 7 -6.082 -4.960 9.756 78 H LEU 8 HN LEU 8 -3.627 0.514 2.348 79 HA LEU 8 HA LEU 8 -3.134 -0.928 -0.036 80 1HB LEU 8 HB2 LEU 8 -4.186 1.637 0.704 81 2HB LEU 8 HB1 LEU 8 -3.007 1.857 -0.576 82 HG LEU 8 HG LEU 8 -4.376 -0.128 -1.690 83 1HD1 LEU 8 HD11 LEU 8 -5.845 0.072 0.541 84 2HD1 LEU 8 HD12 LEU 8 -6.508 -0.434 -1.013 85 3HD1 LEU 8 HD13 LEU 8 -6.694 1.236 -0.476 86 1HD2 LEU 8 HD21 LEU 8 -4.271 1.725 -2.999 87 2HD2 LEU 8 HD22 LEU 8 -4.735 2.813 -1.690 88 3HD2 LEU 8 HD23 LEU 8 -5.961 1.846 -2.509 89 H GLU 9 HN GLU 9 -1.286 1.430 1.832 90 HA GLU 9 HA GLU 9 0.844 1.736 0.009 91 1HB GLU 9 HB2 GLU 9 0.248 2.496 2.743 92 2HB GLU 9 HB1 GLU 9 1.927 2.002 2.581 93 1HG GLU 9 HG2 GLU 9 0.928 3.822 0.498 94 2HG GLU 9 HG1 GLU 9 1.035 4.495 2.124 95 H LYS 10 HN LYS 10 0.021 -0.746 2.309 96 HA LYS 10 HA LYS 10 2.585 -1.964 2.467 97 1HB LYS 10 HB2 LYS 10 0.125 -2.323 3.706 98 2HB LYS 10 HB1 LYS 10 0.337 -3.799 2.774 99 1HG LYS 10 HG2 LYS 10 2.250 -4.410 3.938 100 2HG LYS 10 HG1 LYS 10 2.533 -2.770 4.525 101 1HD LYS 10 HD2 LYS 10 0.083 -3.304 5.581 102 2HD LYS 10 HD1 LYS 10 0.830 -4.902 5.613 103 1HE LYS 10 HE2 LYS 10 2.551 -2.707 6.536 104 2HE LYS 10 HE1 LYS 10 1.134 -3.011 7.541 105 1HZ LYS 10 HZ1 LYS 10 3.222 -4.983 6.787 106 2HZ LYS 10 HZ2 LYS 10 1.813 -5.361 7.643 107 3HZ LYS 10 HZ3 LYS 10 2.962 -4.323 8.323 108 H SER 11 HN SER 11 -0.299 -2.578 0.493 109 HA SER 11 HA SER 11 0.844 -4.750 -0.948 110 1HB SER 11 HB2 SER 11 -1.495 -2.961 -1.655 111 2HB SER 11 HB1 SER 11 -1.095 -4.480 -2.456 112 HG SER 11 HG SER 11 -2.221 -5.398 -0.953 113 H PHE 12 HN PHE 12 0.809 -1.282 -1.357 114 HA PHE 12 HA PHE 12 1.583 -1.181 -4.067 115 1HB PHE 12 HB2 PHE 12 0.979 0.672 -2.068 116 2HB PHE 12 HB1 PHE 12 2.652 1.015 -2.493 117 HD1 PHE 12 HD1 PHE 12 -0.785 0.789 -3.792 118 HD2 PHE 12 HD2 PHE 12 3.217 2.007 -4.571 119 HE1 PHE 12 HE1 PHE 12 -1.551 2.019 -5.780 120 HE2 PHE 12 HE2 PHE 12 2.459 3.241 -6.560 121 HZ PHE 12 HZ PHE 12 0.072 3.248 -7.167 122 H SER 13 HN SER 13 3.405 -1.535 -1.089 123 HA SER 13 HA SER 13 5.966 -0.967 -2.035 124 1HB SER 13 HB2 SER 13 5.204 -1.437 0.376 125 2HB SER 13 HB1 SER 13 5.406 -3.143 -0.024 126 HG SER 13 HG SER 13 7.422 -1.158 -0.270 127 H LYS 14 HN LYS 14 4.099 -3.963 -2.144 128 HA LYS 14 HA LYS 14 6.153 -5.600 -3.178 129 1HB LYS 14 HB2 LYS 14 3.625 -6.045 -2.273 130 2HB LYS 14 HB1 LYS 14 3.392 -6.232 -4.006 131 1HG LYS 14 HG2 LYS 14 5.648 -7.651 -2.669 132 2HG LYS 14 HG1 LYS 14 4.007 -8.284 -2.528 133 1HD LYS 14 HD2 LYS 14 4.071 -7.854 -5.167 134 2HD LYS 14 HD1 LYS 14 5.792 -8.125 -4.887 135 1HE LYS 14 HE2 LYS 14 3.538 -9.984 -4.135 136 2HE LYS 14 HE1 LYS 14 4.683 -10.210 -5.457 137 1HZ LYS 14 HZ1 LYS 14 5.374 -11.527 -3.609 138 2HZ LYS 14 HZ2 LYS 14 5.295 -10.208 -2.553 139 3HZ LYS 14 HZ3 LYS 14 6.471 -10.248 -3.767 140 H ILE 15 HN ILE 15 4.151 -3.194 -4.615 141 HA ILE 15 HA ILE 15 4.436 -4.149 -7.318 142 HB ILE 15 HB ILE 15 3.574 -1.397 -6.435 143 1HG1 ILE 15 HG12 ILE 15 1.858 -3.847 -6.897 144 2HG1 ILE 15 HG11 ILE 15 2.228 -3.153 -5.321 145 1HG2 ILE 15 HG21 ILE 15 2.733 -2.884 -8.901 146 2HG2 ILE 15 HG22 ILE 15 4.195 -1.899 -8.862 147 3HG2 ILE 15 HG23 ILE 15 2.624 -1.157 -8.561 148 1HD1 ILE 15 HD11 ILE 15 1.214 -1.027 -6.764 149 2HD1 ILE 15 HD12 ILE 15 0.364 -1.978 -5.545 150 3HD1 ILE 15 HD13 ILE 15 0.218 -2.398 -7.252 151 H GLN 16 HN GLN 16 5.967 -1.704 -5.273 152 HA GLN 16 HA GLN 16 7.486 -0.467 -7.303 153 1HB GLN 16 HB2 GLN 16 8.775 0.528 -5.528 154 2HB GLN 16 HB1 GLN 16 7.083 0.507 -5.053 155 1HG GLN 16 HG2 GLN 16 7.486 -0.762 -3.272 156 2HG GLN 16 HG1 GLN 16 8.526 -1.859 -4.178 157 1HE2 GLN 16 HE21 GLN 16 10.515 -1.943 -3.450 158 2HE2 GLN 16 HE22 GLN 16 11.387 -0.656 -2.696 159 H ASN 17 HN ASN 17 7.904 -3.428 -5.554 160 HA ASN 17 HA ASN 17 10.703 -3.706 -6.169 161 1HB ASN 17 HB2 ASN 17 8.636 -5.539 -4.967 162 2HB ASN 17 HB1 ASN 17 10.257 -6.105 -5.359 163 1HD2 ASN 17 HD21 ASN 17 8.469 -5.190 -2.885 164 2HD2 ASN 17 HD22 ASN 17 9.652 -4.436 -1.876 165 H ASP 18 HN ASP 18 7.651 -4.886 -7.476 166 HA ASP 18 HA ASP 18 8.900 -6.631 -9.383 167 1HB ASP 18 HB2 ASP 18 6.298 -6.261 -8.381 168 2HB ASP 18 HB1 ASP 18 6.199 -5.894 -10.101 169 H LYS 19 HN LYS 19 6.649 -3.964 -10.068 170 HA LYS 19 HA LYS 19 8.163 -3.385 -12.499 171 1HB LYS 19 HB2 LYS 19 6.223 -2.094 -13.194 172 2HB LYS 19 HB1 LYS 19 5.725 -3.699 -12.678 173 1HG LYS 19 HG2 LYS 19 5.246 -2.599 -10.408 174 2HG LYS 19 HG1 LYS 19 5.336 -1.074 -11.293 175 1HD LYS 19 HD2 LYS 19 3.055 -1.659 -11.288 176 2HD LYS 19 HD1 LYS 19 3.640 -2.085 -12.897 177 1HE LYS 19 HE2 LYS 19 4.001 -4.426 -11.979 178 2HE LYS 19 HE1 LYS 19 3.057 -3.912 -10.581 179 1HZ LYS 19 HZ1 LYS 19 1.999 -3.589 -13.317 180 2HZ LYS 19 HZ2 LYS 19 1.153 -3.672 -11.855 181 3HZ LYS 19 HZ3 LYS 19 1.856 -5.067 -12.504 182 1HN NH2 20 NH1 NH2 20 9.445 -1.685 -12.686 183 2HN NH2 20 NH2 NH2 20 9.513 -0.334 -11.611 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 -11.971 7.148 8.755 2 2H ALA 1 HT2 ALA 1 -10.720 6.716 9.848 3 3H ALA 1 HT3 ALA 1 -12.220 5.882 9.883 4 HA ALA 1 HA ALA 1 -10.261 4.779 8.791 5 1HB ALA 1 HB1 ALA 1 -12.818 5.056 7.220 6 2HB ALA 1 HB2 ALA 1 -12.636 4.061 8.665 7 3HB ALA 1 HB3 ALA 1 -11.705 3.688 7.214 8 H LYS 2 HN LYS 2 -9.750 7.594 8.307 9 HA LYS 2 HA LYS 2 -9.472 7.705 5.392 10 1HB LYS 2 HB2 LYS 2 -8.951 10.066 5.698 11 2HB LYS 2 HB1 LYS 2 -10.462 9.662 6.501 12 1HG LYS 2 HG2 LYS 2 -9.524 9.835 8.623 13 2HG LYS 2 HG1 LYS 2 -7.876 9.693 8.008 14 1HD LYS 2 HD2 LYS 2 -8.711 11.920 6.714 15 2HD LYS 2 HD1 LYS 2 -9.627 12.050 8.217 16 1HE LYS 2 HE2 LYS 2 -7.715 12.183 9.520 17 2HE LYS 2 HE1 LYS 2 -6.704 11.426 8.290 18 1HZ LYS 2 HZ1 LYS 2 -6.589 13.981 8.722 19 2HZ LYS 2 HZ2 LYS 2 -7.935 14.022 7.699 20 3HZ LYS 2 HZ3 LYS 2 -6.474 13.374 7.147 21 H LYS 3 HN LYS 3 -7.813 6.039 7.274 22 HA LYS 3 HA LYS 3 -5.210 6.946 6.259 23 1HB LYS 3 HB2 LYS 3 -5.773 7.458 8.815 24 2HB LYS 3 HB1 LYS 3 -5.286 5.779 9.006 25 1HG LYS 3 HG2 LYS 3 -3.118 6.227 8.131 26 2HG LYS 3 HG1 LYS 3 -3.590 7.856 7.645 27 1HD LYS 3 HD2 LYS 3 -3.688 6.954 10.510 28 2HD LYS 3 HD1 LYS 3 -2.222 7.622 9.789 29 1HE LYS 3 HE2 LYS 3 -4.866 9.051 9.699 30 2HE LYS 3 HE1 LYS 3 -3.732 9.244 11.035 31 1HZ LYS 3 HZ1 LYS 3 -2.263 10.380 9.747 32 2HZ LYS 3 HZ2 LYS 3 -3.692 10.832 8.964 33 3HZ LYS 3 HZ3 LYS 3 -2.722 9.609 8.313 34 H VAL 4 HN VAL 4 -7.356 4.644 5.957 35 HA VAL 4 HA VAL 4 -6.048 2.230 6.566 36 HB VAL 4 HB VAL 4 -7.768 2.705 4.125 37 1HG1 VAL 4 HG11 VAL 4 -6.400 0.467 4.880 38 2HG1 VAL 4 HG12 VAL 4 -7.841 0.481 3.864 39 3HG1 VAL 4 HG13 VAL 4 -7.987 0.185 5.596 40 1HG2 VAL 4 HG21 VAL 4 -8.545 3.246 6.708 41 2HG2 VAL 4 HG22 VAL 4 -9.111 1.595 6.461 42 3HG2 VAL 4 HG23 VAL 4 -9.622 2.876 5.362 43 H PHE 5 HN PHE 5 -5.397 4.714 4.403 44 HA PHE 5 HA PHE 5 -4.159 3.772 2.218 45 1HB PHE 5 HB2 PHE 5 -4.399 6.169 3.077 46 2HB PHE 5 HB1 PHE 5 -2.914 5.873 3.971 47 HD1 PHE 5 HD1 PHE 5 -1.146 6.962 2.996 48 HD2 PHE 5 HD2 PHE 5 -4.027 5.074 0.496 49 HE1 PHE 5 HE1 PHE 5 0.173 7.583 1.013 50 HE2 PHE 5 HE2 PHE 5 -2.713 5.691 -1.491 51 HZ PHE 5 HZ PHE 5 -0.610 6.946 -1.233 52 H LYS 6 HN LYS 6 -3.041 3.562 5.477 53 HA LYS 6 HA LYS 6 -0.355 2.892 5.005 54 1HB LYS 6 HB2 LYS 6 -2.062 3.107 7.254 55 2HB LYS 6 HB1 LYS 6 -1.351 1.500 7.315 56 1HG LYS 6 HG2 LYS 6 0.494 3.733 6.746 57 2HG LYS 6 HG1 LYS 6 -0.192 3.663 8.370 58 1HD LYS 6 HD2 LYS 6 0.983 1.820 8.923 59 2HD LYS 6 HD1 LYS 6 0.792 1.097 7.324 60 1HE LYS 6 HE2 LYS 6 2.438 3.296 6.902 61 2HE LYS 6 HE1 LYS 6 3.005 2.610 8.424 62 1HZ LYS 6 HZ1 LYS 6 2.525 0.858 6.106 63 2HZ LYS 6 HZ2 LYS 6 3.561 0.626 7.422 64 3HZ LYS 6 HZ3 LYS 6 3.966 1.739 6.215 65 H ARG 7 HN ARG 7 -3.211 0.824 5.526 66 HA ARG 7 HA ARG 7 -1.837 -1.614 5.108 67 1HB ARG 7 HB2 ARG 7 -4.704 -0.771 5.117 68 2HB ARG 7 HB1 ARG 7 -4.296 -2.336 4.428 69 1HG ARG 7 HG2 ARG 7 -2.946 -2.480 6.752 70 2HG ARG 7 HG1 ARG 7 -4.287 -1.437 7.229 71 1HD ARG 7 HD2 ARG 7 -5.890 -3.072 6.496 72 2HD ARG 7 HD1 ARG 7 -4.612 -4.081 5.820 73 HE ARG 7 HE ARG 7 -4.272 -3.603 8.619 74 1HH1 ARG 7 HH11 ARG 7 -5.944 -5.576 6.276 75 2HH1 ARG 7 HH12 ARG 7 -6.159 -6.906 7.365 76 1HH2 ARG 7 HH21 ARG 7 -4.554 -5.351 10.052 77 2HH2 ARG 7 HH22 ARG 7 -5.371 -6.778 9.508 78 H LEU 8 HN LEU 8 -3.480 0.651 2.993 79 HA LEU 8 HA LEU 8 -3.367 -0.924 0.641 80 1HB LEU 8 HB2 LEU 8 -4.268 1.675 1.381 81 2HB LEU 8 HB1 LEU 8 -3.190 1.860 0.011 82 HG LEU 8 HG LEU 8 -4.690 -0.123 -0.952 83 1HD1 LEU 8 HD11 LEU 8 -6.225 -0.552 0.697 84 2HD1 LEU 8 HD12 LEU 8 -7.100 0.635 -0.271 85 3HD1 LEU 8 HD13 LEU 8 -6.299 1.131 1.220 86 1HD2 LEU 8 HD21 LEU 8 -4.271 2.262 -1.785 87 2HD2 LEU 8 HD22 LEU 8 -5.787 2.669 -0.982 88 3HD2 LEU 8 HD23 LEU 8 -5.769 1.471 -2.276 89 H GLU 9 HN GLU 9 -1.225 1.472 2.115 90 HA GLU 9 HA GLU 9 0.668 1.617 0.044 91 1HB GLU 9 HB2 GLU 9 0.694 2.183 2.977 92 2HB GLU 9 HB1 GLU 9 2.232 2.114 2.127 93 1HG GLU 9 HG2 GLU 9 1.227 3.784 0.497 94 2HG GLU 9 HG1 GLU 9 -0.060 3.996 1.683 95 H LYS 10 HN LYS 10 0.076 -0.772 2.512 96 HA LYS 10 HA LYS 10 2.598 -2.069 2.390 97 1HB LYS 10 HB2 LYS 10 0.966 -2.367 4.241 98 2HB LYS 10 HB1 LYS 10 -0.089 -3.239 3.137 99 1HG LYS 10 HG2 LYS 10 1.861 -4.837 2.790 100 2HG LYS 10 HG1 LYS 10 2.589 -4.067 4.202 101 1HD LYS 10 HD2 LYS 10 1.466 -5.644 5.350 102 2HD LYS 10 HD1 LYS 10 0.084 -4.571 5.117 103 1HE LYS 10 HE2 LYS 10 -0.948 -6.043 3.798 104 2HE LYS 10 HE1 LYS 10 0.504 -6.303 2.832 105 1HZ LYS 10 HZ1 LYS 10 1.061 -8.126 4.002 106 2HZ LYS 10 HZ2 LYS 10 -0.590 -8.172 4.369 107 3HZ LYS 10 HZ3 LYS 10 0.503 -7.508 5.475 108 H SER 11 HN SER 11 -0.478 -2.550 0.710 109 HA SER 11 HA SER 11 0.372 -4.835 -0.758 110 1HB SER 11 HB2 SER 11 -1.696 -4.712 -1.869 111 2HB SER 11 HB1 SER 11 -2.038 -4.028 -0.279 112 HG SER 11 HG SER 11 -2.897 -2.647 -1.781 113 H PHE 12 HN PHE 12 0.377 -1.367 -1.368 114 HA PHE 12 HA PHE 12 1.106 -1.520 -4.104 115 1HB PHE 12 HB2 PHE 12 0.267 0.488 -2.496 116 2HB PHE 12 HB1 PHE 12 1.990 0.844 -2.558 117 HD1 PHE 12 HD1 PHE 12 2.989 0.648 -5.046 118 HD2 PHE 12 HD2 PHE 12 -1.054 1.521 -4.049 119 HE1 PHE 12 HE1 PHE 12 2.689 1.732 -7.234 120 HE2 PHE 12 HE2 PHE 12 -1.363 2.606 -6.236 121 HZ PHE 12 HZ PHE 12 0.510 2.713 -7.831 122 H SER 13 HN SER 13 2.899 -1.751 -1.145 123 HA SER 13 HA SER 13 5.448 -1.016 -1.984 124 1HB SER 13 HB2 SER 13 4.615 -1.673 0.371 125 2HB SER 13 HB1 SER 13 4.979 -3.328 -0.114 126 HG SER 13 HG SER 13 7.084 -2.875 -0.161 127 H LYS 14 HN LYS 14 3.671 -4.006 -2.461 128 HA LYS 14 HA LYS 14 5.822 -5.581 -3.385 129 1HB LYS 14 HB2 LYS 14 3.613 -6.470 -2.655 130 2HB LYS 14 HB1 LYS 14 2.901 -5.821 -4.126 131 1HG LYS 14 HG2 LYS 14 5.220 -7.499 -4.641 132 2HG LYS 14 HG1 LYS 14 3.923 -8.348 -3.798 133 1HD LYS 14 HD2 LYS 14 2.482 -8.173 -5.555 134 2HD LYS 14 HD1 LYS 14 3.162 -6.638 -6.099 135 1HE LYS 14 HE2 LYS 14 4.647 -7.638 -7.457 136 2HE LYS 14 HE1 LYS 14 4.993 -8.920 -6.297 137 1HZ LYS 14 HZ1 LYS 14 2.771 -8.777 -8.247 138 2HZ LYS 14 HZ2 LYS 14 2.756 -9.857 -6.946 139 3HZ LYS 14 HZ3 LYS 14 3.974 -9.960 -8.115 140 H ILE 15 HN ILE 15 3.764 -3.225 -4.932 141 HA ILE 15 HA ILE 15 4.495 -3.931 -7.613 142 HB ILE 15 HB ILE 15 3.334 -1.310 -6.674 143 1HG1 ILE 15 HG12 ILE 15 1.849 -3.794 -7.559 144 2HG1 ILE 15 HG11 ILE 15 2.005 -3.269 -5.886 145 1HG2 ILE 15 HG21 ILE 15 2.778 -2.582 -9.310 146 2HG2 ILE 15 HG22 ILE 15 4.310 -1.743 -9.066 147 3HG2 ILE 15 HG23 ILE 15 2.787 -0.877 -8.860 148 1HD1 ILE 15 HD11 ILE 15 0.601 -1.817 -8.112 149 2HD1 ILE 15 HD12 ILE 15 0.848 -1.168 -6.491 150 3HD1 ILE 15 HD13 ILE 15 -0.137 -2.613 -6.722 151 H GLN 16 HN GLN 16 5.671 -1.704 -5.180 152 HA GLN 16 HA GLN 16 7.267 -0.073 -6.815 153 1HB GLN 16 HB2 GLN 16 6.665 0.380 -4.426 154 2HB GLN 16 HB1 GLN 16 7.823 -0.854 -3.950 155 1HG GLN 16 HG2 GLN 16 9.648 0.414 -4.681 156 2HG GLN 16 HG1 GLN 16 8.626 1.495 -5.628 157 1HE2 GLN 16 HE21 GLN 16 6.902 2.616 -4.220 158 2HE2 GLN 16 HE22 GLN 16 7.485 3.308 -2.748 159 H ASN 17 HN ASN 17 7.794 -3.247 -5.454 160 HA ASN 17 HA ASN 17 10.602 -3.273 -6.169 161 1HB ASN 17 HB2 ASN 17 9.169 -4.579 -4.245 162 2HB ASN 17 HB1 ASN 17 9.315 -5.831 -5.474 163 1HD2 ASN 17 HD21 ASN 17 10.801 -4.301 -2.899 164 2HD2 ASN 17 HD22 ASN 17 12.394 -4.938 -3.100 165 H ASP 18 HN ASP 18 7.557 -4.427 -7.433 166 HA ASP 18 HA ASP 18 8.756 -6.129 -9.419 167 1HB ASP 18 HB2 ASP 18 6.471 -6.494 -8.419 168 2HB ASP 18 HB1 ASP 18 5.916 -5.100 -9.341 169 H LYS 19 HN LYS 19 9.992 -5.113 -10.891 170 HA LYS 19 HA LYS 19 9.265 -2.537 -11.966 171 1HB LYS 19 HB2 LYS 19 11.582 -4.378 -12.176 172 2HB LYS 19 HB1 LYS 19 11.304 -3.308 -13.543 173 1HG LYS 19 HG2 LYS 19 11.163 -1.964 -10.954 174 2HG LYS 19 HG1 LYS 19 12.735 -2.687 -11.303 175 1HD LYS 19 HD2 LYS 19 11.364 -1.059 -13.399 176 2HD LYS 19 HD1 LYS 19 12.204 -0.246 -12.076 177 1HE LYS 19 HE2 LYS 19 14.005 -0.426 -13.405 178 2HE LYS 19 HE1 LYS 19 14.053 -2.089 -12.822 179 1HZ LYS 19 HZ1 LYS 19 13.217 -2.895 -14.773 180 2HZ LYS 19 HZ2 LYS 19 14.083 -1.568 -15.362 181 3HZ LYS 19 HZ3 LYS 19 12.406 -1.463 -15.168 182 1HN NH2 20 NH1 NH2 20 8.512 -2.086 -13.982 183 2HN NH2 20 NH2 NH2 20 7.932 -3.279 -15.089 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 -12.003 5.071 9.240 2 2H ALA 1 HT2 ALA 1 -11.640 6.345 10.331 3 3H ALA 1 HT3 ALA 1 -11.528 4.712 10.847 4 HA ALA 1 HA ALA 1 -9.410 5.870 10.347 5 1HB ALA 1 HB1 ALA 1 -8.483 3.878 9.206 6 2HB ALA 1 HB2 ALA 1 -10.130 3.312 8.924 7 3HB ALA 1 HB3 ALA 1 -9.524 3.476 10.573 8 H LYS 2 HN LYS 2 -9.243 7.698 9.126 9 HA LYS 2 HA LYS 2 -9.881 7.609 6.290 10 1HB LYS 2 HB2 LYS 2 -9.376 10.009 6.313 11 2HB LYS 2 HB1 LYS 2 -10.535 9.585 7.564 12 1HG LYS 2 HG2 LYS 2 -9.218 10.830 8.875 13 2HG LYS 2 HG1 LYS 2 -8.215 9.380 8.939 14 1HD LYS 2 HD2 LYS 2 -7.028 10.295 6.885 15 2HD LYS 2 HD1 LYS 2 -7.866 11.815 7.207 16 1HE LYS 2 HE2 LYS 2 -5.516 11.579 8.146 17 2HE LYS 2 HE1 LYS 2 -6.772 12.106 9.266 18 1HZ LYS 2 HZ1 LYS 2 -6.695 10.163 10.414 19 2HZ LYS 2 HZ2 LYS 2 -5.092 10.197 9.876 20 3HZ LYS 2 HZ3 LYS 2 -6.231 9.238 9.075 21 H LYS 3 HN LYS 3 -7.389 6.419 7.877 22 HA LYS 3 HA LYS 3 -5.467 7.188 5.775 23 1HB LYS 3 HB2 LYS 3 -4.901 8.303 7.928 24 2HB LYS 3 HB1 LYS 3 -4.782 6.723 8.690 25 1HG LYS 3 HG2 LYS 3 -3.150 6.772 6.341 26 2HG LYS 3 HG1 LYS 3 -2.772 8.164 7.357 27 1HD LYS 3 HD2 LYS 3 -3.085 5.615 8.792 28 2HD LYS 3 HD1 LYS 3 -1.711 5.689 7.687 29 1HE LYS 3 HE2 LYS 3 -0.795 7.564 8.801 30 2HE LYS 3 HE1 LYS 3 -2.278 7.835 9.716 31 1HZ LYS 3 HZ1 LYS 3 -0.252 6.663 10.815 32 2HZ LYS 3 HZ2 LYS 3 -0.851 5.288 10.033 33 3HZ LYS 3 HZ3 LYS 3 -1.822 6.120 11.140 34 H VAL 4 HN VAL 4 -7.334 4.791 6.481 35 HA VAL 4 HA VAL 4 -5.733 2.548 6.991 36 HB VAL 4 HB VAL 4 -8.190 2.402 6.914 37 1HG1 VAL 4 HG11 VAL 4 -9.475 2.772 5.059 38 2HG1 VAL 4 HG12 VAL 4 -8.178 2.354 3.940 39 3HG1 VAL 4 HG13 VAL 4 -8.168 3.917 4.757 40 1HG2 VAL 4 HG21 VAL 4 -7.494 0.546 4.738 41 2HG2 VAL 4 HG22 VAL 4 -8.170 0.224 6.335 42 3HG2 VAL 4 HG23 VAL 4 -6.437 0.492 6.149 43 H PHE 5 HN PHE 5 -5.925 4.683 4.396 44 HA PHE 5 HA PHE 5 -5.190 3.420 2.130 45 1HB PHE 5 HB2 PHE 5 -5.515 5.924 2.649 46 2HB PHE 5 HB1 PHE 5 -3.808 5.920 3.066 47 HD1 PHE 5 HD1 PHE 5 -2.213 4.930 1.232 48 HD2 PHE 5 HD2 PHE 5 -6.139 6.388 0.482 49 HE1 PHE 5 HE1 PHE 5 -1.635 5.255 -1.138 50 HE2 PHE 5 HE2 PHE 5 -5.570 6.715 -1.890 51 HZ PHE 5 HZ PHE 5 -3.315 6.148 -2.702 52 H LYS 6 HN LYS 6 -3.286 3.967 4.953 53 HA LYS 6 HA LYS 6 -0.723 3.470 3.950 54 1HB LYS 6 HB2 LYS 6 -1.597 4.223 6.343 55 2HB LYS 6 HB1 LYS 6 -1.440 2.505 6.682 56 1HG LYS 6 HG2 LYS 6 0.577 3.543 7.359 57 2HG LYS 6 HG1 LYS 6 0.926 2.654 5.876 58 1HD LYS 6 HD2 LYS 6 1.858 4.569 5.174 59 2HD LYS 6 HD1 LYS 6 0.198 5.108 4.913 60 1HE LYS 6 HE2 LYS 6 0.699 6.795 6.289 61 2HE LYS 6 HE1 LYS 6 0.588 5.607 7.586 62 1HZ LYS 6 HZ1 LYS 6 3.101 6.166 6.117 63 2HZ LYS 6 HZ2 LYS 6 2.916 5.291 7.553 64 3HZ LYS 6 HZ3 LYS 6 2.671 6.965 7.545 65 H ARG 7 HN ARG 7 -3.184 1.270 5.250 66 HA ARG 7 HA ARG 7 -1.659 -1.088 5.083 67 1HB ARG 7 HB2 ARG 7 -4.346 -0.385 5.709 68 2HB ARG 7 HB1 ARG 7 -4.399 -1.661 4.501 69 1HG ARG 7 HG2 ARG 7 -3.442 -3.208 5.887 70 2HG ARG 7 HG1 ARG 7 -2.590 -1.990 6.838 71 1HD ARG 7 HD2 ARG 7 -4.907 -1.251 7.629 72 2HD ARG 7 HD1 ARG 7 -5.487 -2.775 6.958 73 HE ARG 7 HE ARG 7 -3.294 -3.254 8.665 74 1HH1 ARG 7 HH11 ARG 7 -6.660 -2.338 8.768 75 2HH1 ARG 7 HH12 ARG 7 -6.922 -3.004 10.345 76 1HH2 ARG 7 HH21 ARG 7 -3.637 -4.132 10.739 77 2HH2 ARG 7 HH22 ARG 7 -5.206 -4.022 11.464 78 H LEU 8 HN LEU 8 -3.863 0.460 2.777 79 HA LEU 8 HA LEU 8 -3.571 -1.476 0.737 80 1HB LEU 8 HB2 LEU 8 -4.578 1.320 0.902 81 2HB LEU 8 HB1 LEU 8 -4.159 0.710 -0.688 82 HG LEU 8 HG LEU 8 -5.931 -0.979 0.999 83 1HD1 LEU 8 HD11 LEU 8 -6.705 1.662 -0.186 84 2HD1 LEU 8 HD12 LEU 8 -7.068 1.011 1.413 85 3HD1 LEU 8 HD13 LEU 8 -7.876 0.355 -0.011 86 1HD2 LEU 8 HD21 LEU 8 -7.000 -0.959 -1.446 87 2HD2 LEU 8 HD22 LEU 8 -5.655 -2.010 -1.002 88 3HD2 LEU 8 HD23 LEU 8 -5.349 -0.502 -1.863 89 H GLU 9 HN GLU 9 -1.874 1.522 1.521 90 HA GLU 9 HA GLU 9 -0.186 1.551 -0.744 91 1HB GLU 9 HB2 GLU 9 -0.429 3.003 1.765 92 2HB GLU 9 HB1 GLU 9 1.254 2.738 1.332 93 1HG GLU 9 HG2 GLU 9 -0.400 3.646 -0.893 94 2HG GLU 9 HG1 GLU 9 -0.314 4.787 0.448 95 H LYS 10 HN LYS 10 -0.139 -0.220 2.250 96 HA LYS 10 HA LYS 10 2.607 -0.973 2.172 97 1HB LYS 10 HB2 LYS 10 0.211 -1.717 3.731 98 2HB LYS 10 HB1 LYS 10 1.430 -2.976 3.585 99 1HG LYS 10 HG2 LYS 10 3.103 -1.529 4.541 100 2HG LYS 10 HG1 LYS 10 1.961 -0.184 4.580 101 1HD LYS 10 HD2 LYS 10 1.022 -2.616 5.926 102 2HD LYS 10 HD1 LYS 10 2.451 -1.883 6.657 103 1HE LYS 10 HE2 LYS 10 0.895 0.302 6.210 104 2HE LYS 10 HE1 LYS 10 -0.323 -0.926 6.550 105 1HZ LYS 10 HZ1 LYS 10 0.880 -1.446 8.610 106 2HZ LYS 10 HZ2 LYS 10 0.332 0.154 8.577 107 3HZ LYS 10 HZ3 LYS 10 1.964 -0.187 8.293 108 H SER 11 HN SER 11 -0.388 -2.387 0.959 109 HA SER 11 HA SER 11 0.787 -4.818 0.059 110 1HB SER 11 HB2 SER 11 -1.614 -4.671 0.481 111 2HB SER 11 HB1 SER 11 -1.782 -3.449 -0.779 112 HG SER 11 HG SER 11 -2.080 -5.080 -2.060 113 H PHE 12 HN PHE 12 0.187 -1.674 -1.401 114 HA PHE 12 HA PHE 12 0.757 -2.356 -4.067 115 1HB PHE 12 HB2 PHE 12 0.078 -0.027 -2.654 116 2HB PHE 12 HB1 PHE 12 1.614 0.333 -3.435 117 HD1 PHE 12 HD1 PHE 12 -1.684 -1.221 -4.221 118 HD2 PHE 12 HD2 PHE 12 1.570 1.164 -5.574 119 HE1 PHE 12 HE1 PHE 12 -2.866 -0.818 -6.341 120 HE2 PHE 12 HE2 PHE 12 0.394 1.572 -7.696 121 HZ PHE 12 HZ PHE 12 -1.827 0.580 -8.082 122 H SER 13 HN SER 13 2.813 -1.957 -1.335 123 HA SER 13 HA SER 13 5.205 -1.129 -2.432 124 1HB SER 13 HB2 SER 13 6.282 -2.089 -0.551 125 2HB SER 13 HB1 SER 13 4.669 -1.655 0.012 126 HG SER 13 HG SER 13 4.078 -3.764 -0.024 127 H LYS 14 HN LYS 14 3.595 -4.202 -2.745 128 HA LYS 14 HA LYS 14 5.778 -5.746 -3.634 129 1HB LYS 14 HB2 LYS 14 2.802 -5.964 -3.917 130 2HB LYS 14 HB1 LYS 14 3.846 -7.058 -4.815 131 1HG LYS 14 HG2 LYS 14 4.841 -7.135 -2.228 132 2HG LYS 14 HG1 LYS 14 3.089 -7.092 -2.026 133 1HD LYS 14 HD2 LYS 14 4.298 -8.948 -4.031 134 2HD LYS 14 HD1 LYS 14 4.327 -9.377 -2.319 135 1HE LYS 14 HE2 LYS 14 1.828 -8.898 -2.323 136 2HE LYS 14 HE1 LYS 14 1.942 -8.886 -4.082 137 1HZ LYS 14 HZ1 LYS 14 1.428 -11.060 -3.703 138 2HZ LYS 14 HZ2 LYS 14 2.232 -11.126 -2.216 139 3HZ LYS 14 HZ3 LYS 14 3.117 -11.168 -3.656 140 H ILE 15 HN ILE 15 3.587 -3.557 -5.281 141 HA ILE 15 HA ILE 15 4.431 -4.281 -7.921 142 HB ILE 15 HB ILE 15 3.065 -1.724 -7.088 143 1HG1 ILE 15 HG12 ILE 15 1.792 -4.344 -7.910 144 2HG1 ILE 15 HG11 ILE 15 1.855 -3.735 -6.259 145 1HG2 ILE 15 HG21 ILE 15 3.713 -3.021 -9.653 146 2HG2 ILE 15 HG22 ILE 15 3.508 -1.314 -9.261 147 3HG2 ILE 15 HG23 ILE 15 2.094 -2.334 -9.522 148 1HD1 ILE 15 HD11 ILE 15 0.265 -2.153 -6.637 149 2HD1 ILE 15 HD12 ILE 15 -0.257 -3.389 -7.782 150 3HD1 ILE 15 HD13 ILE 15 0.666 -1.996 -8.347 151 H GLN 16 HN GLN 16 5.426 -1.941 -5.523 152 HA GLN 16 HA GLN 16 6.950 -0.269 -7.218 153 1HB GLN 16 HB2 GLN 16 6.173 0.173 -4.813 154 2HB GLN 16 HB1 GLN 16 7.566 -0.776 -4.313 155 1HG GLN 16 HG2 GLN 16 8.247 1.286 -6.243 156 2HG GLN 16 HG1 GLN 16 7.517 1.933 -4.775 157 1HE2 GLN 16 HE21 GLN 16 8.564 1.644 -2.800 158 2HE2 GLN 16 HE22 GLN 16 10.232 1.207 -2.705 159 H ASN 17 HN ASN 17 7.721 -3.190 -5.399 160 HA ASN 17 HA ASN 17 10.519 -3.111 -5.974 161 1HB ASN 17 HB2 ASN 17 8.680 -5.244 -4.900 162 2HB ASN 17 HB1 ASN 17 10.384 -5.557 -5.214 163 1HD2 ASN 17 HD21 ASN 17 8.471 -5.139 -2.780 164 2HD2 ASN 17 HD22 ASN 17 9.435 -4.177 -1.717 165 H ASP 18 HN ASP 18 7.698 -4.496 -7.506 166 HA ASP 18 HA ASP 18 9.053 -6.251 -9.266 167 1HB ASP 18 HB2 ASP 18 6.312 -5.122 -9.057 168 2HB ASP 18 HB1 ASP 18 6.797 -5.749 -10.630 169 H LYS 19 HN LYS 19 10.819 -4.775 -9.872 170 HA LYS 19 HA LYS 19 10.094 -2.707 -11.803 171 1HB LYS 19 HB2 LYS 19 12.158 -2.974 -9.904 172 2HB LYS 19 HB1 LYS 19 12.937 -3.054 -11.478 173 1HG LYS 19 HG2 LYS 19 11.046 -0.938 -11.539 174 2HG LYS 19 HG1 LYS 19 12.012 -0.776 -10.072 175 1HD LYS 19 HD2 LYS 19 13.331 0.366 -11.559 176 2HD LYS 19 HD1 LYS 19 14.003 -1.257 -11.726 177 1HE LYS 19 HE2 LYS 19 12.889 -1.629 -13.756 178 2HE LYS 19 HE1 LYS 19 11.780 -0.284 -13.492 179 1HZ LYS 19 HZ1 LYS 19 14.610 0.381 -13.622 180 2HZ LYS 19 HZ2 LYS 19 13.272 1.211 -14.242 181 3HZ LYS 19 HZ3 LYS 19 13.896 -0.124 -15.071 182 1HN NH2 20 NH1 NH2 20 10.707 -2.742 -13.933 183 2HN NH2 20 NH2 NH2 20 11.309 -4.152 -14.731 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 -8.031 5.876 10.537 2 2H ALA 1 HT2 ALA 1 -8.847 5.168 11.870 3 3H ALA 1 HT3 ALA 1 -9.176 6.792 11.424 4 HA ALA 1 HA ALA 1 -9.931 4.301 10.101 5 1HB ALA 1 HB1 ALA 1 -11.584 6.763 10.524 6 2HB ALA 1 HB2 ALA 1 -11.344 5.590 11.819 7 3HB ALA 1 HB3 ALA 1 -12.109 5.093 10.309 8 H LYS 2 HN LYS 2 -9.017 7.628 9.552 9 HA LYS 2 HA LYS 2 -9.738 7.420 6.722 10 1HB LYS 2 HB2 LYS 2 -9.819 9.531 8.572 11 2HB LYS 2 HB1 LYS 2 -8.518 9.934 7.460 12 1HG LYS 2 HG2 LYS 2 -10.137 10.806 6.198 13 2HG LYS 2 HG1 LYS 2 -10.477 9.135 5.746 14 1HD LYS 2 HD2 LYS 2 -12.562 9.671 6.438 15 2HD LYS 2 HD1 LYS 2 -11.894 9.294 8.027 16 1HE LYS 2 HE2 LYS 2 -11.462 12.053 7.103 17 2HE LYS 2 HE1 LYS 2 -13.144 11.615 7.399 18 1HZ LYS 2 HZ1 LYS 2 -12.262 12.470 9.407 19 2HZ LYS 2 HZ2 LYS 2 -10.887 11.489 9.318 20 3HZ LYS 2 HZ3 LYS 2 -12.401 10.797 9.619 21 H LYS 3 HN LYS 3 -7.536 5.888 7.810 22 HA LYS 3 HA LYS 3 -5.429 6.894 6.035 23 1HB LYS 3 HB2 LYS 3 -3.690 6.445 7.705 24 2HB LYS 3 HB1 LYS 3 -4.805 7.683 8.268 25 1HG LYS 3 HG2 LYS 3 -5.945 6.031 9.658 26 2HG LYS 3 HG1 LYS 3 -4.831 4.785 9.090 27 1HD LYS 3 HD2 LYS 3 -3.520 7.179 10.160 28 2HD LYS 3 HD1 LYS 3 -4.487 6.292 11.341 29 1HE LYS 3 HE2 LYS 3 -2.654 5.026 11.589 30 2HE LYS 3 HE1 LYS 3 -3.167 4.269 10.081 31 1HZ LYS 3 HZ1 LYS 3 -1.040 4.825 9.554 32 2HZ LYS 3 HZ2 LYS 3 -1.007 6.185 10.558 33 3HZ LYS 3 HZ3 LYS 3 -1.806 6.253 9.069 34 H VAL 4 HN VAL 4 -7.467 4.573 6.268 35 HA VAL 4 HA VAL 4 -6.056 2.164 6.537 36 HB VAL 4 HB VAL 4 -8.235 2.633 4.499 37 1HG1 VAL 4 HG11 VAL 4 -7.779 0.153 6.120 38 2HG1 VAL 4 HG12 VAL 4 -6.880 0.449 4.631 39 3HG1 VAL 4 HG13 VAL 4 -8.640 0.340 4.592 40 1HG2 VAL 4 HG21 VAL 4 -9.431 3.374 6.267 41 2HG2 VAL 4 HG22 VAL 4 -8.363 2.615 7.447 42 3HG2 VAL 4 HG23 VAL 4 -9.581 1.651 6.611 43 H PHE 5 HN PHE 5 -5.922 4.659 4.284 44 HA PHE 5 HA PHE 5 -5.131 3.689 1.897 45 1HB PHE 5 HB2 PHE 5 -5.303 6.106 2.753 46 2HB PHE 5 HB1 PHE 5 -3.645 5.898 3.297 47 HD1 PHE 5 HD1 PHE 5 -5.649 5.294 0.202 48 HD2 PHE 5 HD2 PHE 5 -2.008 6.693 1.904 49 HE1 PHE 5 HE1 PHE 5 -4.842 5.909 -2.040 50 HE2 PHE 5 HE2 PHE 5 -1.195 7.311 -0.334 51 HZ PHE 5 HZ PHE 5 -2.612 6.919 -2.310 52 H LYS 6 HN LYS 6 -3.378 3.665 4.869 53 HA LYS 6 HA LYS 6 -0.802 3.102 3.944 54 1HB LYS 6 HB2 LYS 6 -1.777 3.567 6.375 55 2HB LYS 6 HB1 LYS 6 -1.760 1.810 6.457 56 1HG LYS 6 HG2 LYS 6 0.305 2.247 7.292 57 2HG LYS 6 HG1 LYS 6 0.706 2.144 5.577 58 1HD LYS 6 HD2 LYS 6 -0.113 4.796 6.617 59 2HD LYS 6 HD1 LYS 6 1.466 4.189 7.118 60 1HE LYS 6 HE2 LYS 6 2.350 4.642 5.127 61 2HE LYS 6 HE1 LYS 6 1.058 3.779 4.293 62 1HZ LYS 6 HZ1 LYS 6 -0.148 5.676 4.001 63 2HZ LYS 6 HZ2 LYS 6 1.410 6.332 3.951 64 3HZ LYS 6 HZ3 LYS 6 0.490 6.447 5.366 65 H ARG 7 HN ARG 7 -3.506 0.957 4.751 66 HA ARG 7 HA ARG 7 -2.169 -1.478 4.336 67 1HB ARG 7 HB2 ARG 7 -4.832 -0.632 4.867 68 2HB ARG 7 HB1 ARG 7 -4.889 -1.698 3.470 69 1HG ARG 7 HG2 ARG 7 -4.934 -3.370 4.933 70 2HG ARG 7 HG1 ARG 7 -3.221 -3.037 5.196 71 1HD ARG 7 HD2 ARG 7 -5.027 -1.310 6.723 72 2HD ARG 7 HD1 ARG 7 -5.153 -3.020 7.131 73 HE ARG 7 HE ARG 7 -2.484 -2.573 7.145 74 1HH1 ARG 7 HH11 ARG 7 -5.182 -0.999 8.702 75 2HH1 ARG 7 HH12 ARG 7 -4.259 -0.505 10.081 76 1HH2 ARG 7 HH21 ARG 7 -1.269 -1.926 8.959 77 2HH2 ARG 7 HH22 ARG 7 -2.036 -1.031 10.227 78 H LEU 8 HN LEU 8 -4.048 0.572 2.132 79 HA LEU 8 HA LEU 8 -3.728 -1.066 -0.148 80 1HB LEU 8 HB2 LEU 8 -4.399 1.831 0.265 81 2HB LEU 8 HB1 LEU 8 -4.119 1.209 -1.351 82 HG LEU 8 HG LEU 8 -5.920 -0.594 -0.530 83 1HD1 LEU 8 HD11 LEU 8 -6.777 1.919 0.886 84 2HD1 LEU 8 HD12 LEU 8 -6.067 0.526 1.702 85 3HD1 LEU 8 HD13 LEU 8 -7.605 0.362 0.853 86 1HD2 LEU 8 HD21 LEU 8 -7.114 1.979 -1.351 87 2HD2 LEU 8 HD22 LEU 8 -7.288 0.370 -2.051 88 3HD2 LEU 8 HD23 LEU 8 -5.849 1.329 -2.393 89 H GLU 9 HN GLU 9 -1.903 1.672 1.157 90 HA GLU 9 HA GLU 9 -0.021 1.819 -0.949 91 1HB GLU 9 HB2 GLU 9 -0.491 3.533 0.914 92 2HB GLU 9 HB1 GLU 9 0.569 2.549 1.914 93 1HG GLU 9 HG2 GLU 9 1.719 3.207 -0.680 94 2HG GLU 9 HG1 GLU 9 1.343 4.622 0.302 95 H LYS 10 HN LYS 10 -0.360 -0.246 1.829 96 HA LYS 10 HA LYS 10 2.323 -1.201 1.890 97 1HB LYS 10 HB2 LYS 10 0.215 -1.424 3.576 98 2HB LYS 10 HB1 LYS 10 0.159 -3.002 2.802 99 1HG LYS 10 HG2 LYS 10 1.997 -3.725 3.856 100 2HG LYS 10 HG1 LYS 10 2.830 -2.179 3.678 101 1HD LYS 10 HD2 LYS 10 2.499 -2.492 6.002 102 2HD LYS 10 HD1 LYS 10 1.310 -1.292 5.491 103 1HE LYS 10 HE2 LYS 10 0.061 -2.714 6.830 104 2HE LYS 10 HE1 LYS 10 -0.266 -3.320 5.207 105 1HZ LYS 10 HZ1 LYS 10 0.987 -5.188 5.552 106 2HZ LYS 10 HZ2 LYS 10 0.374 -4.948 7.110 107 3HZ LYS 10 HZ3 LYS 10 1.956 -4.475 6.742 108 H SER 11 HN SER 11 -0.632 -2.184 0.257 109 HA SER 11 HA SER 11 0.394 -4.626 -0.784 110 1HB SER 11 HB2 SER 11 -2.013 -4.262 -0.590 111 2HB SER 11 HB1 SER 11 -1.920 -2.909 -1.718 112 HG SER 11 HG SER 11 -2.549 -5.113 -2.528 113 H PHE 12 HN PHE 12 0.159 -1.320 -2.019 114 HA PHE 12 HA PHE 12 1.143 -1.935 -4.618 115 1HB PHE 12 HB2 PHE 12 -0.128 0.196 -3.637 116 2HB PHE 12 HB1 PHE 12 1.521 0.790 -3.477 117 HD1 PHE 12 HD1 PHE 12 -1.240 0.680 -5.577 118 HD2 PHE 12 HD2 PHE 12 3.004 0.379 -5.658 119 HE1 PHE 12 HE1 PHE 12 -1.245 1.313 -7.955 120 HE2 PHE 12 HE2 PHE 12 3.007 1.012 -8.036 121 HZ PHE 12 HZ PHE 12 0.881 1.480 -9.187 122 H SER 13 HN SER 13 2.633 -1.148 -1.565 123 HA SER 13 HA SER 13 5.170 -0.372 -2.446 124 1HB SER 13 HB2 SER 13 4.626 -0.036 -0.149 125 2HB SER 13 HB1 SER 13 4.261 -1.745 0.086 126 HG SER 13 HG SER 13 6.262 -1.685 0.817 127 H LYS 14 HN LYS 14 3.871 -3.589 -1.716 128 HA LYS 14 HA LYS 14 6.256 -5.024 -2.112 129 1HB LYS 14 HB2 LYS 14 3.399 -5.645 -1.851 130 2HB LYS 14 HB1 LYS 14 4.290 -6.798 -2.834 131 1HG LYS 14 HG2 LYS 14 5.069 -5.973 -0.047 132 2HG LYS 14 HG1 LYS 14 4.152 -7.426 -0.450 133 1HD LYS 14 HD2 LYS 14 5.975 -8.520 -1.195 134 2HD LYS 14 HD1 LYS 14 6.648 -7.079 -1.961 135 1HE LYS 14 HE2 LYS 14 6.883 -6.450 0.674 136 2HE LYS 14 HE1 LYS 14 7.118 -8.197 0.713 137 1HZ LYS 14 HZ1 LYS 14 8.696 -7.602 -1.303 138 2HZ LYS 14 HZ2 LYS 14 9.234 -7.551 0.300 139 3HZ LYS 14 HZ3 LYS 14 8.785 -6.123 -0.486 140 H ILE 15 HN ILE 15 3.814 -3.856 -4.333 141 HA ILE 15 HA ILE 15 4.853 -5.340 -6.578 142 HB ILE 15 HB ILE 15 2.929 -3.019 -6.657 143 1HG1 ILE 15 HG12 ILE 15 2.318 -5.971 -6.382 144 2HG1 ILE 15 HG11 ILE 15 2.124 -4.770 -5.109 145 1HG2 ILE 15 HG21 ILE 15 2.206 -4.661 -8.661 146 2HG2 ILE 15 HG22 ILE 15 3.939 -4.985 -8.607 147 3HG2 ILE 15 HG23 ILE 15 3.357 -3.338 -8.849 148 1HD1 ILE 15 HD11 ILE 15 0.721 -3.917 -7.447 149 2HD1 ILE 15 HD12 ILE 15 0.098 -4.280 -5.837 150 3HD1 ILE 15 HD13 ILE 15 0.252 -5.566 -7.034 151 H GLN 16 HN GLN 16 5.299 -2.193 -5.160 152 HA GLN 16 HA GLN 16 6.345 -0.795 -7.338 153 1HB GLN 16 HB2 GLN 16 5.849 -0.180 -4.748 154 2HB GLN 16 HB1 GLN 16 7.603 -0.287 -4.712 155 1HG GLN 16 HG2 GLN 16 7.357 1.913 -5.214 156 2HG GLN 16 HG1 GLN 16 7.406 1.241 -6.843 157 1HE2 GLN 16 HE21 GLN 16 5.246 2.336 -4.291 158 2HE2 GLN 16 HE22 GLN 16 3.943 2.784 -5.333 159 H ASN 17 HN ASN 17 7.849 -3.083 -5.135 160 HA ASN 17 HA ASN 17 10.527 -2.614 -5.898 161 1HB ASN 17 HB2 ASN 17 9.108 -4.423 -4.179 162 2HB ASN 17 HB1 ASN 17 10.263 -5.333 -5.147 163 1HD2 ASN 17 HD21 ASN 17 12.099 -5.614 -4.134 164 2HD2 ASN 17 HD22 ASN 17 12.878 -4.479 -3.090 165 H ASP 18 HN ASP 18 7.983 -4.636 -7.212 166 HA ASP 18 HA ASP 18 9.560 -6.230 -8.909 167 1HB ASP 18 HB2 ASP 18 6.669 -5.381 -9.021 168 2HB ASP 18 HB1 ASP 18 7.379 -6.452 -10.225 169 H LYS 19 HN LYS 19 10.935 -5.422 -10.356 170 HA LYS 19 HA LYS 19 10.660 -2.882 -11.577 171 1HB LYS 19 HB2 LYS 19 12.799 -4.242 -11.193 172 2HB LYS 19 HB1 LYS 19 12.357 -5.129 -12.645 173 1HG LYS 19 HG2 LYS 19 13.526 -3.585 -13.741 174 2HG LYS 19 HG1 LYS 19 12.146 -2.522 -13.460 175 1HD LYS 19 HD2 LYS 19 13.240 -1.301 -11.907 176 2HD LYS 19 HD1 LYS 19 14.082 -2.704 -11.247 177 1HE LYS 19 HE2 LYS 19 15.575 -2.684 -13.218 178 2HE LYS 19 HE1 LYS 19 14.770 -1.220 -13.781 179 1HZ LYS 19 HZ1 LYS 19 15.792 -1.153 -11.061 180 2HZ LYS 19 HZ2 LYS 19 15.812 0.044 -12.255 181 3HZ LYS 19 HZ3 LYS 19 16.959 -1.198 -12.285 182 1HN NH2 20 NH1 NH2 20 10.667 -6.073 -13.145 183 2HN NH2 20 NH2 NH2 20 9.542 -5.660 -14.389 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 -12.058 5.055 4.869 2 2H ALA 1 HT2 ALA 1 -12.630 3.785 5.872 3 3H ALA 1 HT3 ALA 1 -11.170 3.594 4.990 4 HA ALA 1 HA ALA 1 -11.730 5.211 7.355 5 1HB ALA 1 HB1 ALA 1 -9.195 3.763 6.947 6 2HB ALA 1 HB2 ALA 1 -10.644 2.767 7.079 7 3HB ALA 1 HB3 ALA 1 -10.220 3.883 8.377 8 H LYS 2 HN LYS 2 -10.059 6.698 8.036 9 HA LYS 2 HA LYS 2 -9.041 8.232 5.787 10 1HB LYS 2 HB2 LYS 2 -10.272 9.153 7.890 11 2HB LYS 2 HB1 LYS 2 -8.697 9.019 8.659 12 1HG LYS 2 HG2 LYS 2 -7.881 10.364 6.581 13 2HG LYS 2 HG1 LYS 2 -9.582 10.816 6.453 14 1HD LYS 2 HD2 LYS 2 -9.161 11.235 9.088 15 2HD LYS 2 HD1 LYS 2 -7.555 11.591 8.449 16 1HE LYS 2 HE2 LYS 2 -8.711 13.091 6.766 17 2HE LYS 2 HE1 LYS 2 -10.171 12.893 7.733 18 1HZ LYS 2 HZ1 LYS 2 -9.369 14.710 8.760 19 2HZ LYS 2 HZ2 LYS 2 -7.768 14.421 8.297 20 3HZ LYS 2 HZ3 LYS 2 -8.429 13.591 9.614 21 H LYS 3 HN LYS 3 -7.880 5.769 7.678 22 HA LYS 3 HA LYS 3 -5.099 6.596 7.156 23 1HB LYS 3 HB2 LYS 3 -6.110 6.498 9.675 24 2HB LYS 3 HB1 LYS 3 -5.549 4.842 9.499 25 1HG LYS 3 HG2 LYS 3 -3.348 5.936 8.683 26 2HG LYS 3 HG1 LYS 3 -3.979 7.381 9.476 27 1HD LYS 3 HD2 LYS 3 -3.567 4.689 10.776 28 2HD LYS 3 HD1 LYS 3 -2.525 6.100 10.972 29 1HE LYS 3 HE2 LYS 3 -5.455 6.111 11.659 30 2HE LYS 3 HE1 LYS 3 -4.199 5.686 12.821 31 1HZ LYS 3 HZ1 LYS 3 -4.999 8.085 12.772 32 2HZ LYS 3 HZ2 LYS 3 -4.122 8.239 11.334 33 3HZ LYS 3 HZ3 LYS 3 -3.326 7.830 12.769 34 H VAL 4 HN VAL 4 -7.293 4.636 6.024 35 HA VAL 4 HA VAL 4 -6.268 2.029 6.245 36 HB VAL 4 HB VAL 4 -8.439 2.482 5.180 37 1HG1 VAL 4 HG11 VAL 4 -8.571 3.402 2.930 38 2HG1 VAL 4 HG12 VAL 4 -6.824 3.643 2.913 39 3HG1 VAL 4 HG13 VAL 4 -7.829 4.559 4.036 40 1HG2 VAL 4 HG21 VAL 4 -7.190 1.287 2.856 41 2HG2 VAL 4 HG22 VAL 4 -8.276 0.571 4.047 42 3HG2 VAL 4 HG23 VAL 4 -6.542 0.629 4.359 43 H PHE 5 HN PHE 5 -5.086 4.841 4.845 44 HA PHE 5 HA PHE 5 -3.562 4.285 2.713 45 1HB PHE 5 HB2 PHE 5 -3.768 6.440 4.063 46 2HB PHE 5 HB1 PHE 5 -2.499 5.789 5.091 47 HD1 PHE 5 HD1 PHE 5 -0.652 7.137 4.705 48 HD2 PHE 5 HD2 PHE 5 -2.861 5.636 1.392 49 HE1 PHE 5 HE1 PHE 5 1.050 8.031 3.171 50 HE2 PHE 5 HE2 PHE 5 -1.163 6.527 -0.149 51 HZ PHE 5 HZ PHE 5 0.796 7.727 0.740 52 H LYS 6 HN LYS 6 -3.019 3.233 5.958 53 HA LYS 6 HA LYS 6 -0.350 2.387 5.716 54 1HB LYS 6 HB2 LYS 6 -2.433 2.220 7.679 55 2HB LYS 6 HB1 LYS 6 -1.693 0.635 7.504 56 1HG LYS 6 HG2 LYS 6 0.513 2.174 7.626 57 2HG LYS 6 HG1 LYS 6 -0.595 3.128 8.614 58 1HD LYS 6 HD2 LYS 6 -1.078 1.108 9.957 59 2HD LYS 6 HD1 LYS 6 0.114 0.220 9.004 60 1HE LYS 6 HE2 LYS 6 0.715 2.698 10.613 61 2HE LYS 6 HE1 LYS 6 0.977 1.051 11.186 62 1HZ LYS 6 HZ1 LYS 6 2.957 2.223 10.196 63 2HZ LYS 6 HZ2 LYS 6 2.201 2.071 8.691 64 3HZ LYS 6 HZ3 LYS 6 2.620 0.688 9.569 65 H ARG 7 HN ARG 7 -3.399 0.564 5.403 66 HA ARG 7 HA ARG 7 -2.167 -1.852 4.602 67 1HB ARG 7 HB2 ARG 7 -4.913 -0.753 4.624 68 2HB ARG 7 HB1 ARG 7 -4.607 -1.997 3.420 69 1HG ARG 7 HG2 ARG 7 -5.493 -2.962 5.461 70 2HG ARG 7 HG1 ARG 7 -3.842 -3.515 5.171 71 1HD ARG 7 HD2 ARG 7 -3.051 -2.515 7.023 72 2HD ARG 7 HD1 ARG 7 -4.045 -1.078 6.790 73 HE ARG 7 HE ARG 7 -4.669 -3.378 8.398 74 1HH1 ARG 7 HH11 ARG 7 -5.994 -0.670 6.640 75 2HH1 ARG 7 HH12 ARG 7 -7.458 -0.626 7.564 76 1HH2 ARG 7 HH21 ARG 7 -6.593 -3.321 9.615 77 2HH2 ARG 7 HH22 ARG 7 -7.798 -2.130 9.254 78 H LEU 8 HN LEU 8 -3.274 0.999 2.895 79 HA LEU 8 HA LEU 8 -2.980 -0.025 0.268 80 1HB LEU 8 HB2 LEU 8 -3.452 2.587 1.525 81 2HB LEU 8 HB1 LEU 8 -2.538 2.679 0.032 82 HG LEU 8 HG LEU 8 -4.383 1.333 -1.055 83 1HD1 LEU 8 HD11 LEU 8 -5.458 1.607 1.685 84 2HD1 LEU 8 HD12 LEU 8 -5.687 0.325 0.495 85 3HD1 LEU 8 HD13 LEU 8 -6.595 1.831 0.356 86 1HD2 LEU 8 HD21 LEU 8 -5.688 3.241 -1.503 87 2HD2 LEU 8 HD22 LEU 8 -4.071 3.850 -1.148 88 3HD2 LEU 8 HD23 LEU 8 -5.340 3.949 0.074 89 H GLU 9 HN GLU 9 -0.858 1.772 2.469 90 HA GLU 9 HA GLU 9 1.305 2.066 0.688 91 1HB GLU 9 HB2 GLU 9 0.811 2.998 3.154 92 2HB GLU 9 HB1 GLU 9 1.874 1.664 3.580 93 1HG GLU 9 HG2 GLU 9 3.447 2.653 1.788 94 2HG GLU 9 HG1 GLU 9 2.466 4.107 1.967 95 H LYS 10 HN LYS 10 0.162 -0.621 2.580 96 HA LYS 10 HA LYS 10 2.565 -2.149 2.512 97 1HB LYS 10 HB2 LYS 10 -0.260 -2.606 3.264 98 2HB LYS 10 HB1 LYS 10 0.632 -4.033 2.757 99 1HG LYS 10 HG2 LYS 10 2.272 -2.575 4.554 100 2HG LYS 10 HG1 LYS 10 0.665 -2.718 5.268 101 1HD LYS 10 HD2 LYS 10 2.059 -5.088 4.064 102 2HD LYS 10 HD1 LYS 10 2.366 -4.588 5.728 103 1HE LYS 10 HE2 LYS 10 -0.391 -5.131 4.647 104 2HE LYS 10 HE1 LYS 10 0.603 -6.366 5.419 105 1HZ LYS 10 HZ1 LYS 10 -0.913 -5.384 7.000 106 2HZ LYS 10 HZ2 LYS 10 -0.319 -3.835 6.671 107 3HZ LYS 10 HZ3 LYS 10 0.678 -4.982 7.414 108 H SER 11 HN SER 11 -0.341 -2.017 0.498 109 HA SER 11 HA SER 11 0.446 -4.119 -1.249 110 1HB SER 11 HB2 SER 11 -1.913 -3.077 -0.847 111 2HB SER 11 HB1 SER 11 -1.419 -1.917 -2.081 112 HG SER 11 HG SER 11 -2.429 -3.600 -3.116 113 H PHE 12 HN PHE 12 0.984 -0.662 -1.169 114 HA PHE 12 HA PHE 12 1.830 -0.301 -3.826 115 1HB PHE 12 HB2 PHE 12 1.290 1.471 -2.035 116 2HB PHE 12 HB1 PHE 12 2.952 1.245 -1.499 117 HD1 PHE 12 HD1 PHE 12 4.509 2.706 -2.321 118 HD2 PHE 12 HD2 PHE 12 1.094 1.796 -4.690 119 HE1 PHE 12 HE1 PHE 12 5.279 4.296 -4.033 120 HE2 PHE 12 HE2 PHE 12 1.858 3.383 -6.408 121 HZ PHE 12 HZ PHE 12 3.953 4.636 -6.081 122 H SER 13 HN SER 13 3.575 -1.245 -0.905 123 HA SER 13 HA SER 13 6.177 -1.128 -1.928 124 1HB SER 13 HB2 SER 13 5.588 -1.416 0.483 125 2HB SER 13 HB1 SER 13 5.134 -3.084 0.133 126 HG SER 13 HG SER 13 7.631 -1.942 0.372 127 H LYS 14 HN LYS 14 3.683 -3.570 -2.202 128 HA LYS 14 HA LYS 14 5.348 -5.633 -3.228 129 1HB LYS 14 HB2 LYS 14 3.099 -5.998 -2.208 130 2HB LYS 14 HB1 LYS 14 2.375 -5.259 -3.630 131 1HG LYS 14 HG2 LYS 14 2.224 -7.614 -3.883 132 2HG LYS 14 HG1 LYS 14 3.455 -7.039 -5.009 133 1HD LYS 14 HD2 LYS 14 4.349 -8.982 -4.002 134 2HD LYS 14 HD1 LYS 14 5.162 -7.619 -3.232 135 1HE LYS 14 HE2 LYS 14 4.617 -8.721 -1.339 136 2HE LYS 14 HE1 LYS 14 3.071 -7.905 -1.569 137 1HZ LYS 14 HZ1 LYS 14 2.068 -9.816 -2.303 138 2HZ LYS 14 HZ2 LYS 14 3.151 -10.453 -1.171 139 3HZ LYS 14 HZ3 LYS 14 3.514 -10.527 -2.821 140 H ILE 15 HN ILE 15 3.594 -2.964 -4.659 141 HA ILE 15 HA ILE 15 3.994 -3.889 -7.365 142 HB ILE 15 HB ILE 15 3.117 -1.139 -6.493 143 1HG1 ILE 15 HG12 ILE 15 1.401 -3.568 -7.053 144 2HG1 ILE 15 HG11 ILE 15 1.691 -2.876 -5.460 145 1HG2 ILE 15 HG21 ILE 15 3.479 -0.917 -8.729 146 2HG2 ILE 15 HG22 ILE 15 1.831 -1.545 -8.773 147 3HG2 ILE 15 HG23 ILE 15 3.195 -2.627 -9.058 148 1HD1 ILE 15 HD11 ILE 15 -0.193 -2.094 -7.512 149 2HD1 ILE 15 HD12 ILE 15 0.776 -0.738 -6.936 150 3HD1 ILE 15 HD13 ILE 15 -0.159 -1.702 -5.793 151 H GLN 16 HN GLN 16 5.551 -1.714 -5.117 152 HA GLN 16 HA GLN 16 7.144 -0.307 -6.984 153 1HB GLN 16 HB2 GLN 16 6.757 0.500 -4.697 154 2HB GLN 16 HB1 GLN 16 7.658 -0.868 -4.057 155 1HG GLN 16 HG2 GLN 16 9.661 -0.052 -5.261 156 2HG GLN 16 HG1 GLN 16 8.740 1.367 -5.755 157 1HE2 GLN 16 HE21 GLN 16 7.386 2.061 -3.548 158 2HE2 GLN 16 HE22 GLN 16 8.467 2.471 -2.265 159 H ASN 17 HN ASN 17 7.496 -3.383 -5.365 160 HA ASN 17 HA ASN 17 10.262 -3.711 -6.089 161 1HB ASN 17 HB2 ASN 17 8.508 -4.936 -4.279 162 2HB ASN 17 HB1 ASN 17 8.902 -6.190 -5.452 163 1HD2 ASN 17 HD21 ASN 17 10.312 -3.809 -3.275 164 2HD2 ASN 17 HD22 ASN 17 11.780 -4.673 -2.988 165 H ASP 18 HN ASP 18 7.150 -4.583 -7.415 166 HA ASP 18 HA ASP 18 7.953 -6.556 -9.232 167 1HB ASP 18 HB2 ASP 18 5.615 -4.802 -8.878 168 2HB ASP 18 HB1 ASP 18 5.889 -5.324 -10.537 169 H LYS 19 HN LYS 19 7.353 -5.889 -11.750 170 HA LYS 19 HA LYS 19 9.672 -4.676 -12.718 171 1HB LYS 19 HB2 LYS 19 7.002 -5.156 -14.045 172 2HB LYS 19 HB1 LYS 19 8.420 -4.577 -14.907 173 1HG LYS 19 HG2 LYS 19 9.303 -6.616 -15.037 174 2HG LYS 19 HG1 LYS 19 8.967 -6.962 -13.340 175 1HD LYS 19 HD2 LYS 19 7.082 -8.081 -13.823 176 2HD LYS 19 HD1 LYS 19 6.579 -6.896 -15.030 177 1HE LYS 19 HE2 LYS 19 8.448 -7.931 -16.483 178 2HE LYS 19 HE1 LYS 19 8.366 -9.280 -15.351 179 1HZ LYS 19 HZ1 LYS 19 6.124 -8.234 -16.994 180 2HZ LYS 19 HZ2 LYS 19 5.993 -9.481 -15.860 181 3HZ LYS 19 HZ3 LYS 19 6.951 -9.690 -17.239 182 1HN NH2 20 NH1 NH2 20 9.330 -2.824 -14.487 183 2HN NH2 20 NH2 NH2 20 8.649 -1.374 -13.842 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 -12.106 8.962 9.103 2 2H ALA 1 HT2 ALA 1 -11.201 9.336 10.512 3 3H ALA 1 HT3 ALA 1 -11.263 7.722 9.933 4 HA ALA 1 HA ALA 1 -10.217 9.910 8.298 5 1HB ALA 1 HB1 ALA 1 -8.695 10.183 9.953 6 2HB ALA 1 HB2 ALA 1 -7.967 8.773 9.182 7 3HB ALA 1 HB3 ALA 1 -8.967 8.574 10.621 8 H LYS 2 HN LYS 2 -9.167 9.165 6.474 9 HA LYS 2 HA LYS 2 -9.689 6.356 5.817 10 1HB LYS 2 HB2 LYS 2 -9.463 7.021 3.489 11 2HB LYS 2 HB1 LYS 2 -10.615 8.069 4.305 12 1HG LYS 2 HG2 LYS 2 -9.351 9.903 4.021 13 2HG LYS 2 HG1 LYS 2 -7.840 9.034 4.298 14 1HD LYS 2 HD2 LYS 2 -9.369 8.509 1.792 15 2HD LYS 2 HD1 LYS 2 -8.431 9.998 1.923 16 1HE LYS 2 HE2 LYS 2 -6.563 8.332 2.760 17 2HE LYS 2 HE1 LYS 2 -7.513 7.168 1.838 18 1HZ LYS 2 HZ1 LYS 2 -7.368 8.909 -0.019 19 2HZ LYS 2 HZ2 LYS 2 -5.998 7.971 0.305 20 3HZ LYS 2 HZ3 LYS 2 -6.086 9.562 0.873 21 H LYS 3 HN LYS 3 -7.641 6.413 7.477 22 HA LYS 3 HA LYS 3 -5.139 6.654 5.998 23 1HB LYS 3 HB2 LYS 3 -5.502 7.341 8.458 24 2HB LYS 3 HB1 LYS 3 -5.433 5.622 8.817 25 1HG LYS 3 HG2 LYS 3 -3.195 5.531 7.773 26 2HG LYS 3 HG1 LYS 3 -3.269 7.279 7.540 27 1HD LYS 3 HD2 LYS 3 -3.613 6.011 10.243 28 2HD LYS 3 HD1 LYS 3 -2.024 6.425 9.598 29 1HE LYS 3 HE2 LYS 3 -4.110 8.525 9.503 30 2HE LYS 3 HE1 LYS 3 -3.466 8.107 11.090 31 1HZ LYS 3 HZ1 LYS 3 -2.139 9.847 10.252 32 2HZ LYS 3 HZ2 LYS 3 -1.972 9.113 8.737 33 3HZ LYS 3 HZ3 LYS 3 -1.206 8.444 10.089 34 H VAL 4 HN VAL 4 -7.396 4.408 5.807 35 HA VAL 4 HA VAL 4 -6.158 1.964 6.407 36 HB VAL 4 HB VAL 4 -7.880 2.443 3.971 37 1HG1 VAL 4 HG11 VAL 4 -8.131 0.208 3.837 38 2HG1 VAL 4 HG12 VAL 4 -8.143 -0.003 5.588 39 3HG1 VAL 4 HG13 VAL 4 -6.612 0.185 4.733 40 1HG2 VAL 4 HG21 VAL 4 -8.604 2.384 6.858 41 2HG2 VAL 4 HG22 VAL 4 -9.703 1.641 5.696 42 3HG2 VAL 4 HG23 VAL 4 -9.279 3.346 5.543 43 H PHE 5 HN PHE 5 -5.470 4.385 4.178 44 HA PHE 5 HA PHE 5 -4.285 3.343 2.003 45 1HB PHE 5 HB2 PHE 5 -4.466 5.775 2.814 46 2HB PHE 5 HB1 PHE 5 -2.954 5.471 3.657 47 HD1 PHE 5 HD1 PHE 5 -1.246 6.567 2.580 48 HD2 PHE 5 HD2 PHE 5 -4.178 4.537 0.257 49 HE1 PHE 5 HE1 PHE 5 0.005 7.111 0.532 50 HE2 PHE 5 HE2 PHE 5 -2.933 5.077 -1.795 51 HZ PHE 5 HZ PHE 5 -0.838 6.365 -1.659 52 H LYS 6 HN LYS 6 -3.137 3.225 5.255 53 HA LYS 6 HA LYS 6 -0.469 2.497 4.805 54 1HB LYS 6 HB2 LYS 6 -1.545 3.175 7.013 55 2HB LYS 6 HB1 LYS 6 -2.146 1.525 7.118 56 1HG LYS 6 HG2 LYS 6 -0.041 0.635 7.436 57 2HG LYS 6 HG1 LYS 6 0.768 2.022 6.704 58 1HD LYS 6 HD2 LYS 6 -0.813 2.547 9.149 59 2HD LYS 6 HD1 LYS 6 0.668 1.610 9.352 60 1HE LYS 6 HE2 LYS 6 1.545 3.599 7.740 61 2HE LYS 6 HE1 LYS 6 0.295 4.445 8.652 62 1HZ LYS 6 HZ1 LYS 6 2.817 3.292 9.581 63 2HZ LYS 6 HZ2 LYS 6 1.503 3.256 10.645 64 3HZ LYS 6 HZ3 LYS 6 2.056 4.733 10.035 65 H ARG 7 HN ARG 7 -3.382 0.508 5.255 66 HA ARG 7 HA ARG 7 -2.071 -1.981 4.997 67 1HB ARG 7 HB2 ARG 7 -4.903 -1.051 4.743 68 2HB ARG 7 HB1 ARG 7 -4.487 -2.660 4.170 69 1HG ARG 7 HG2 ARG 7 -3.925 -3.409 6.297 70 2HG ARG 7 HG1 ARG 7 -3.733 -1.771 6.926 71 1HD ARG 7 HD2 ARG 7 -5.787 -2.855 7.740 72 2HD ARG 7 HD1 ARG 7 -6.120 -1.404 6.796 73 HE ARG 7 HE ARG 7 -6.245 -3.490 5.010 74 1HH1 ARG 7 HH11 ARG 7 -7.887 -2.604 7.959 75 2HH1 ARG 7 HH12 ARG 7 -9.368 -3.384 7.517 76 1HH2 ARG 7 HH21 ARG 7 -8.194 -4.517 4.426 77 2HH2 ARG 7 HH22 ARG 7 -9.542 -4.470 5.511 78 H LEU 8 HN LEU 8 -3.617 0.178 2.669 79 HA LEU 8 HA LEU 8 -3.266 -1.496 0.413 80 1HB LEU 8 HB2 LEU 8 -4.208 1.181 0.954 81 2HB LEU 8 HB1 LEU 8 -3.168 1.180 -0.457 82 HG LEU 8 HG LEU 8 -4.845 -0.989 -0.885 83 1HD1 LEU 8 HD11 LEU 8 -7.091 0.354 -0.699 84 2HD1 LEU 8 HD12 LEU 8 -6.247 1.159 0.625 85 3HD1 LEU 8 HD13 LEU 8 -6.483 -0.589 0.662 86 1HD2 LEU 8 HD21 LEU 8 -5.761 0.359 -2.668 87 2HD2 LEU 8 HD22 LEU 8 -4.030 0.666 -2.527 88 3HD2 LEU 8 HD23 LEU 8 -5.187 1.834 -1.890 89 H GLU 9 HN GLU 9 -1.309 1.003 1.952 90 HA GLU 9 HA GLU 9 0.718 1.142 0.003 91 1HB GLU 9 HB2 GLU 9 0.432 1.910 2.853 92 2HB GLU 9 HB1 GLU 9 2.078 1.709 2.266 93 1HG GLU 9 HG2 GLU 9 0.412 3.272 0.466 94 2HG GLU 9 HG1 GLU 9 0.556 3.982 2.073 95 H LYS 10 HN LYS 10 0.012 -1.163 2.517 96 HA LYS 10 HA LYS 10 2.572 -2.388 2.633 97 1HB LYS 10 HB2 LYS 10 0.762 -2.637 4.354 98 2HB LYS 10 HB1 LYS 10 -0.108 -3.659 3.218 99 1HG LYS 10 HG2 LYS 10 0.953 -5.356 4.190 100 2HG LYS 10 HG1 LYS 10 2.371 -4.825 3.284 101 1HD LYS 10 HD2 LYS 10 3.340 -3.841 5.114 102 2HD LYS 10 HD1 LYS 10 1.791 -3.523 5.897 103 1HE LYS 10 HE2 LYS 10 1.718 -5.560 6.882 104 2HE LYS 10 HE1 LYS 10 2.505 -6.363 5.524 105 1HZ LYS 10 HZ1 LYS 10 4.141 -4.525 7.083 106 2HZ LYS 10 HZ2 LYS 10 4.549 -6.009 6.381 107 3HZ LYS 10 HZ3 LYS 10 3.701 -5.971 7.844 108 H SER 11 HN SER 11 -0.397 -3.119 0.829 109 HA SER 11 HA SER 11 0.681 -5.387 -0.510 110 1HB SER 11 HB2 SER 11 -1.691 -3.637 -1.204 111 2HB SER 11 HB1 SER 11 -1.316 -5.179 -1.973 112 HG SER 11 HG SER 11 -2.507 -5.944 -0.412 113 H PHE 12 HN PHE 12 0.622 -1.956 -1.156 114 HA PHE 12 HA PHE 12 1.346 -2.092 -3.896 115 1HB PHE 12 HB2 PHE 12 0.532 -0.094 -2.218 116 2HB PHE 12 HB1 PHE 12 2.241 0.284 -2.405 117 HD1 PHE 12 HD1 PHE 12 3.003 -0.084 -5.020 118 HD2 PHE 12 HD2 PHE 12 -0.849 1.062 -3.620 119 HE1 PHE 12 HE1 PHE 12 2.533 0.973 -7.191 120 HE2 PHE 12 HE2 PHE 12 -1.327 2.119 -5.790 121 HZ PHE 12 HZ PHE 12 0.365 2.075 -7.579 122 H SER 13 HN SER 13 3.136 -2.324 -0.936 123 HA SER 13 HA SER 13 5.678 -1.551 -1.724 124 1HB SER 13 HB2 SER 13 4.604 -2.654 0.540 125 2HB SER 13 HB1 SER 13 5.621 -3.969 -0.047 126 HG SER 13 HG SER 13 7.293 -2.253 -0.234 127 H LYS 14 HN LYS 14 3.965 -4.563 -2.323 128 HA LYS 14 HA LYS 14 6.180 -6.004 -3.352 129 1HB LYS 14 HB2 LYS 14 3.633 -6.663 -2.664 130 2HB LYS 14 HB1 LYS 14 3.510 -6.672 -4.418 131 1HG LYS 14 HG2 LYS 14 5.637 -8.179 -2.924 132 2HG LYS 14 HG1 LYS 14 4.065 -8.872 -3.329 133 1HD LYS 14 HD2 LYS 14 4.851 -9.408 -5.338 134 2HD LYS 14 HD1 LYS 14 5.072 -7.693 -5.688 135 1HE LYS 14 HE2 LYS 14 7.299 -7.787 -5.377 136 2HE LYS 14 HE1 LYS 14 7.162 -8.889 -4.008 137 1HZ LYS 14 HZ1 LYS 14 7.533 -9.472 -6.824 138 2HZ LYS 14 HZ2 LYS 14 6.445 -10.485 -6.017 139 3HZ LYS 14 HZ3 LYS 14 8.036 -10.340 -5.462 140 H ILE 15 HN ILE 15 3.839 -3.814 -4.767 141 HA ILE 15 HA ILE 15 4.718 -4.352 -7.473 142 HB ILE 15 HB ILE 15 2.922 -2.110 -6.557 143 1HG1 ILE 15 HG12 ILE 15 2.156 -4.919 -7.385 144 2HG1 ILE 15 HG11 ILE 15 2.045 -4.267 -5.753 145 1HG2 ILE 15 HG21 ILE 15 3.663 -1.765 -8.780 146 2HG2 ILE 15 HG22 ILE 15 2.022 -2.401 -8.891 147 3HG2 ILE 15 HG23 ILE 15 3.400 -3.457 -9.204 148 1HD1 ILE 15 HD11 ILE 15 0.626 -2.837 -7.930 149 2HD1 ILE 15 HD12 ILE 15 0.199 -3.026 -6.229 150 3HD1 ILE 15 HD13 ILE 15 -0.039 -4.365 -7.353 151 H GLN 16 HN GLN 16 5.240 -1.958 -4.972 152 HA GLN 16 HA GLN 16 6.396 0.070 -6.520 153 1HB GLN 16 HB2 GLN 16 5.766 -0.169 -3.909 154 2HB GLN 16 HB1 GLN 16 7.508 -0.387 -3.812 155 1HG GLN 16 HG2 GLN 16 7.361 1.785 -5.415 156 2HG GLN 16 HG1 GLN 16 5.932 2.013 -4.408 157 1HE2 GLN 16 HE21 GLN 16 8.309 3.619 -4.469 158 2HE2 GLN 16 HE22 GLN 16 9.001 3.558 -2.887 159 H ASN 17 HN ASN 17 7.698 -2.923 -5.277 160 HA ASN 17 HA ASN 17 10.439 -2.256 -5.790 161 1HB ASN 17 HB2 ASN 17 8.947 -4.662 -4.882 162 2HB ASN 17 HB1 ASN 17 10.521 -4.929 -5.624 163 1HD2 ASN 17 HD21 ASN 17 11.286 -5.698 -3.624 164 2HD2 ASN 17 HD22 ASN 17 11.707 -4.609 -2.350 165 H ASP 18 HN ASP 18 8.007 -4.280 -7.406 166 HA ASP 18 HA ASP 18 9.793 -4.655 -9.679 167 1HB ASP 18 HB2 ASP 18 8.055 -6.366 -8.523 168 2HB ASP 18 HB1 ASP 18 7.021 -5.698 -9.783 169 H LYS 19 HN LYS 19 9.795 -3.262 -11.301 170 HA LYS 19 HA LYS 19 7.637 -1.360 -11.619 171 1HB LYS 19 HB2 LYS 19 10.223 -0.985 -11.886 172 2HB LYS 19 HB1 LYS 19 9.940 -1.571 -13.520 173 1HG LYS 19 HG2 LYS 19 8.142 0.559 -12.535 174 2HG LYS 19 HG1 LYS 19 9.818 1.004 -12.861 175 1HD LYS 19 HD2 LYS 19 9.171 1.252 -14.988 176 2HD LYS 19 HD1 LYS 19 9.148 -0.511 -15.056 177 1HE LYS 19 HE2 LYS 19 7.005 -0.269 -15.661 178 2HE LYS 19 HE1 LYS 19 6.713 0.047 -13.951 179 1HZ LYS 19 HZ1 LYS 19 6.690 1.875 -16.204 180 2HZ LYS 19 HZ2 LYS 19 7.411 2.472 -14.796 181 3HZ LYS 19 HZ3 LYS 19 5.811 1.924 -14.759 182 1HN NH2 20 NH1 NH2 20 9.252 -3.735 -13.709 183 2HN NH2 20 NH2 NH2 20 7.904 -3.994 -14.758 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 -12.442 5.412 10.307 2 2H ALA 1 HT2 ALA 1 -11.574 4.337 11.325 3 3H ALA 1 HT3 ALA 1 -11.568 4.104 9.625 4 HA ALA 1 HA ALA 1 -10.581 6.573 10.839 5 1HB ALA 1 HB1 ALA 1 -9.280 4.976 11.968 6 2HB ALA 1 HB2 ALA 1 -8.293 5.487 10.599 7 3HB ALA 1 HB3 ALA 1 -9.152 3.948 10.541 8 H LYS 2 HN LYS 2 -9.548 7.866 9.366 9 HA LYS 2 HA LYS 2 -9.932 7.131 6.563 10 1HB LYS 2 HB2 LYS 2 -9.497 9.541 6.124 11 2HB LYS 2 HB1 LYS 2 -10.866 9.261 7.192 12 1HG LYS 2 HG2 LYS 2 -8.583 9.532 8.828 13 2HG LYS 2 HG1 LYS 2 -8.532 10.832 7.637 14 1HD LYS 2 HD2 LYS 2 -10.309 11.882 8.532 15 2HD LYS 2 HD1 LYS 2 -11.179 10.372 8.811 16 1HE LYS 2 HE2 LYS 2 -10.438 10.190 10.929 17 2HE LYS 2 HE1 LYS 2 -8.826 10.778 10.521 18 1HZ LYS 2 HZ1 LYS 2 -11.229 12.310 11.252 19 2HZ LYS 2 HZ2 LYS 2 -10.040 13.035 10.293 20 3HZ LYS 2 HZ3 LYS 2 -9.646 12.458 11.833 21 H LYS 3 HN LYS 3 -7.876 5.757 7.769 22 HA LYS 3 HA LYS 3 -5.561 6.831 6.310 23 1HB LYS 3 HB2 LYS 3 -5.718 6.971 9.068 24 2HB LYS 3 HB1 LYS 3 -4.818 5.484 8.806 25 1HG LYS 3 HG2 LYS 3 -3.497 7.065 7.115 26 2HG LYS 3 HG1 LYS 3 -4.060 8.287 8.257 27 1HD LYS 3 HD2 LYS 3 -2.709 7.550 9.907 28 2HD LYS 3 HD1 LYS 3 -2.933 5.855 9.472 29 1HE LYS 3 HE2 LYS 3 -1.019 5.822 8.337 30 2HE LYS 3 HE1 LYS 3 -1.473 7.257 7.418 31 1HZ LYS 3 HZ1 LYS 3 -0.845 8.379 9.723 32 2HZ LYS 3 HZ2 LYS 3 0.299 8.097 8.510 33 3HZ LYS 3 HZ3 LYS 3 0.168 7.027 9.813 34 H VAL 4 HN VAL 4 -7.623 4.548 6.092 35 HA VAL 4 HA VAL 4 -6.303 2.093 6.391 36 HB VAL 4 HB VAL 4 -8.153 2.757 4.097 37 1HG1 VAL 4 HG11 VAL 4 -6.968 0.571 4.070 38 2HG1 VAL 4 HG12 VAL 4 -8.724 0.425 4.149 39 3HG1 VAL 4 HG13 VAL 4 -7.752 0.174 5.599 40 1HG2 VAL 4 HG21 VAL 4 -9.584 3.405 5.721 41 2HG2 VAL 4 HG22 VAL 4 -8.707 2.545 6.987 42 3HG2 VAL 4 HG23 VAL 4 -9.804 1.666 5.922 43 H PHE 5 HN PHE 5 -5.798 4.730 4.362 44 HA PHE 5 HA PHE 5 -4.684 3.914 2.053 45 1HB PHE 5 HB2 PHE 5 -4.917 6.265 3.043 46 2HB PHE 5 HB1 PHE 5 -3.375 5.959 3.830 47 HD1 PHE 5 HD1 PHE 5 -1.817 7.316 2.797 48 HD2 PHE 5 HD2 PHE 5 -4.558 5.115 0.398 49 HE1 PHE 5 HE1 PHE 5 -0.633 8.058 0.771 50 HE2 PHE 5 HE2 PHE 5 -3.379 5.853 -1.632 51 HZ PHE 5 HZ PHE 5 -1.414 7.326 -1.447 52 H LYS 6 HN LYS 6 -3.384 3.598 5.234 53 HA LYS 6 HA LYS 6 -0.716 3.013 4.643 54 1HB LYS 6 HB2 LYS 6 -2.367 3.012 6.943 55 2HB LYS 6 HB1 LYS 6 -1.613 1.425 6.868 56 1HG LYS 6 HG2 LYS 6 0.587 2.451 6.773 57 2HG LYS 6 HG1 LYS 6 -0.148 4.056 6.787 58 1HD LYS 6 HD2 LYS 6 -0.625 3.965 9.004 59 2HD LYS 6 HD1 LYS 6 -0.929 2.227 8.976 60 1HE LYS 6 HE2 LYS 6 1.727 2.290 8.451 61 2HE LYS 6 HE1 LYS 6 1.561 3.709 9.485 62 1HZ LYS 6 HZ1 LYS 6 1.801 2.180 11.099 63 2HZ LYS 6 HZ2 LYS 6 1.265 0.895 10.138 64 3HZ LYS 6 HZ3 LYS 6 0.144 1.935 10.862 65 H ARG 7 HN ARG 7 -3.536 0.870 4.969 66 HA ARG 7 HA ARG 7 -2.154 -1.535 4.464 67 1HB ARG 7 HB2 ARG 7 -4.992 -0.658 4.413 68 2HB ARG 7 HB1 ARG 7 -4.600 -2.118 3.515 69 1HG ARG 7 HG2 ARG 7 -5.178 -2.961 5.574 70 2HG ARG 7 HG1 ARG 7 -3.423 -2.843 5.711 71 1HD ARG 7 HD2 ARG 7 -3.979 -0.452 6.642 72 2HD ARG 7 HD1 ARG 7 -5.549 -1.179 6.979 73 HE ARG 7 HE ARG 7 -3.799 -2.958 8.028 74 1HH1 ARG 7 HH11 ARG 7 -4.233 0.484 8.406 75 2HH1 ARG 7 HH12 ARG 7 -3.638 0.507 10.032 76 1HH2 ARG 7 HH21 ARG 7 -3.017 -2.930 10.168 77 2HH2 ARG 7 HH22 ARG 7 -2.948 -1.430 11.033 78 H LEU 8 HN LEU 8 -3.777 0.778 2.344 79 HA LEU 8 HA LEU 8 -3.388 -0.663 -0.059 80 1HB LEU 8 HB2 LEU 8 -4.456 1.875 0.731 81 2HB LEU 8 HB1 LEU 8 -3.343 2.128 -0.600 82 HG LEU 8 HG LEU 8 -5.278 -0.076 -0.960 83 1HD1 LEU 8 HD11 LEU 8 -6.996 1.187 -0.218 84 2HD1 LEU 8 HD12 LEU 8 -6.841 1.930 -1.810 85 3HD1 LEU 8 HD13 LEU 8 -6.110 2.701 -0.402 86 1HD2 LEU 8 HD21 LEU 8 -3.498 1.167 -2.553 87 2HD2 LEU 8 HD22 LEU 8 -4.949 2.100 -2.920 88 3HD2 LEU 8 HD23 LEU 8 -4.944 0.352 -3.149 89 H GLU 9 HN GLU 9 -1.507 1.788 1.659 90 HA GLU 9 HA GLU 9 0.518 2.106 -0.271 91 1HB GLU 9 HB2 GLU 9 0.119 2.794 2.556 92 2HB GLU 9 HB1 GLU 9 1.802 2.520 2.125 93 1HG GLU 9 HG2 GLU 9 0.295 4.218 0.263 94 2HG GLU 9 HG1 GLU 9 0.524 4.883 1.880 95 H LYS 10 HN LYS 10 -0.110 -0.357 2.111 96 HA LYS 10 HA LYS 10 2.492 -1.498 2.160 97 1HB LYS 10 HB2 LYS 10 0.645 -1.887 3.847 98 2HB LYS 10 HB1 LYS 10 -0.116 -2.937 2.660 99 1HG LYS 10 HG2 LYS 10 2.048 -4.252 2.639 100 2HG LYS 10 HG1 LYS 10 2.508 -3.321 4.066 101 1HD LYS 10 HD2 LYS 10 1.496 -4.988 5.190 102 2HD LYS 10 HD1 LYS 10 0.014 -4.134 4.758 103 1HE LYS 10 HE2 LYS 10 0.408 -5.634 2.536 104 2HE LYS 10 HE1 LYS 10 1.087 -6.691 3.773 105 1HZ LYS 10 HZ1 LYS 10 -1.059 -6.286 5.022 106 2HZ LYS 10 HZ2 LYS 10 -1.165 -7.252 3.638 107 3HZ LYS 10 HZ3 LYS 10 -1.671 -5.639 3.583 108 H SER 11 HN SER 11 -0.416 -2.095 0.245 109 HA SER 11 HA SER 11 0.642 -4.321 -1.177 110 1HB SER 11 HB2 SER 11 -1.772 -2.602 -1.364 111 2HB SER 11 HB1 SER 11 -1.290 -3.446 -2.835 112 HG SER 11 HG SER 11 -2.721 -4.687 -1.536 113 H PHE 12 HN PHE 12 0.514 -0.846 -1.771 114 HA PHE 12 HA PHE 12 1.403 -0.862 -4.432 115 1HB PHE 12 HB2 PHE 12 0.576 1.073 -2.732 116 2HB PHE 12 HB1 PHE 12 2.310 1.377 -2.721 117 HD1 PHE 12 HD1 PHE 12 -0.753 1.844 -4.477 118 HD2 PHE 12 HD2 PHE 12 3.472 1.692 -4.966 119 HE1 PHE 12 HE1 PHE 12 -0.959 3.066 -6.602 120 HE2 PHE 12 HE2 PHE 12 3.274 2.914 -7.092 121 HZ PHE 12 HZ PHE 12 1.056 3.603 -7.913 122 H SER 13 HN SER 13 3.205 -0.699 -1.382 123 HA SER 13 HA SER 13 5.760 -0.336 -2.437 124 1HB SER 13 HB2 SER 13 6.390 -1.714 -0.257 125 2HB SER 13 HB1 SER 13 5.747 -0.076 -0.147 126 HG SER 13 HG SER 13 4.211 -2.456 0.034 127 H LYS 14 HN LYS 14 3.780 -3.197 -2.193 128 HA LYS 14 HA LYS 14 5.848 -5.090 -2.673 129 1HB LYS 14 HB2 LYS 14 2.888 -5.114 -2.575 130 2HB LYS 14 HB1 LYS 14 3.638 -6.380 -3.537 131 1HG LYS 14 HG2 LYS 14 5.105 -6.770 -1.444 132 2HG LYS 14 HG1 LYS 14 3.845 -5.865 -0.602 133 1HD LYS 14 HD2 LYS 14 2.181 -7.453 -1.222 134 2HD LYS 14 HD1 LYS 14 3.283 -8.260 -2.340 135 1HE LYS 14 HE2 LYS 14 4.730 -8.580 -0.169 136 2HE LYS 14 HE1 LYS 14 3.177 -8.364 0.637 137 1HZ LYS 14 HZ1 LYS 14 4.007 -10.719 -0.115 138 2HZ LYS 14 HZ2 LYS 14 3.322 -10.258 -1.591 139 3HZ LYS 14 HZ3 LYS 14 2.368 -10.306 -0.196 140 H ILE 15 HN ILE 15 3.796 -3.131 -4.711 141 HA ILE 15 HA ILE 15 4.413 -4.547 -7.134 142 HB ILE 15 HB ILE 15 3.300 -1.753 -6.894 143 1HG1 ILE 15 HG12 ILE 15 1.791 -4.375 -6.985 144 2HG1 ILE 15 HG11 ILE 15 1.974 -3.364 -5.556 145 1HG2 ILE 15 HG21 ILE 15 3.322 -3.818 -9.077 146 2HG2 ILE 15 HG22 ILE 15 3.956 -2.173 -9.118 147 3HG2 ILE 15 HG23 ILE 15 2.214 -2.446 -9.077 148 1HD1 ILE 15 HD11 ILE 15 0.255 -3.005 -7.930 149 2HD1 ILE 15 HD12 ILE 15 0.933 -1.552 -7.196 150 3HD1 ILE 15 HD13 ILE 15 -0.058 -2.648 -6.232 151 H GLN 16 HN GLN 16 5.728 -1.826 -5.384 152 HA GLN 16 HA GLN 16 7.248 -0.661 -7.437 153 1HB GLN 16 HB2 GLN 16 7.743 -0.754 -4.457 154 2HB GLN 16 HB1 GLN 16 8.631 0.269 -5.578 155 1HG GLN 16 HG2 GLN 16 6.613 1.463 -6.148 156 2HG GLN 16 HG1 GLN 16 5.659 0.388 -5.127 157 1HE2 GLN 16 HE21 GLN 16 5.760 3.200 -4.896 158 2HE2 GLN 16 HE22 GLN 16 6.442 3.582 -3.355 159 H ASN 17 HN ASN 17 7.819 -3.437 -5.392 160 HA ASN 17 HA ASN 17 10.594 -3.703 -5.984 161 1HB ASN 17 HB2 ASN 17 8.994 -4.793 -4.106 162 2HB ASN 17 HB1 ASN 17 9.045 -6.124 -5.258 163 1HD2 ASN 17 HD21 ASN 17 11.163 -3.850 -3.563 164 2HD2 ASN 17 HD22 ASN 17 12.463 -4.964 -3.332 165 H ASP 18 HN ASP 18 7.632 -4.889 -7.436 166 HA ASP 18 HA ASP 18 8.860 -6.792 -9.156 167 1HB ASP 18 HB2 ASP 18 6.282 -6.244 -8.442 168 2HB ASP 18 HB1 ASP 18 6.333 -5.588 -10.076 169 H LYS 19 HN LYS 19 10.373 -6.154 -10.560 170 HA LYS 19 HA LYS 19 10.170 -3.595 -11.911 171 1HB LYS 19 HB2 LYS 19 12.261 -5.683 -11.587 172 2HB LYS 19 HB1 LYS 19 12.336 -4.692 -13.038 173 1HG LYS 19 HG2 LYS 19 12.005 -2.770 -11.195 174 2HG LYS 19 HG1 LYS 19 12.847 -3.980 -10.226 175 1HD LYS 19 HD2 LYS 19 14.702 -4.001 -11.703 176 2HD LYS 19 HD1 LYS 19 13.825 -3.079 -12.926 177 1HE LYS 19 HE2 LYS 19 14.338 -1.942 -10.201 178 2HE LYS 19 HE1 LYS 19 15.564 -1.858 -11.465 179 1HZ LYS 19 HZ1 LYS 19 13.723 0.007 -11.117 180 2HZ LYS 19 HZ2 LYS 19 12.885 -0.988 -12.198 181 3HZ LYS 19 HZ3 LYS 19 14.389 -0.347 -12.632 182 1HN NH2 20 NH1 NH2 20 9.577 -3.279 -13.964 183 2HN NH2 20 NH2 NH2 20 9.141 -4.521 -15.083 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 -10.350 9.086 9.229 2 2H ALA 1 HT2 ALA 1 -9.191 7.851 9.505 3 3H ALA 1 HT3 ALA 1 -10.354 8.225 10.711 4 HA ALA 1 HA ALA 1 -11.147 6.328 9.777 5 1HB ALA 1 HB1 ALA 1 -12.414 8.783 8.630 6 2HB ALA 1 HB2 ALA 1 -12.982 7.737 9.931 7 3HB ALA 1 HB3 ALA 1 -13.055 7.183 8.258 8 H LYS 2 HN LYS 2 -9.716 8.453 7.406 9 HA LYS 2 HA LYS 2 -9.902 6.376 5.349 10 1HB LYS 2 HB2 LYS 2 -10.115 9.156 5.244 11 2HB LYS 2 HB1 LYS 2 -8.541 8.811 4.540 12 1HG LYS 2 HG2 LYS 2 -10.916 7.251 3.642 13 2HG LYS 2 HG1 LYS 2 -10.672 8.894 3.045 14 1HD LYS 2 HD2 LYS 2 -8.467 6.863 2.947 15 2HD LYS 2 HD1 LYS 2 -9.697 6.934 1.685 16 1HE LYS 2 HE2 LYS 2 -9.088 9.147 1.093 17 2HE LYS 2 HE1 LYS 2 -8.086 9.329 2.532 18 1HZ LYS 2 HZ1 LYS 2 -6.598 7.624 1.641 19 2HZ LYS 2 HZ2 LYS 2 -6.719 8.951 0.599 20 3HZ LYS 2 HZ3 LYS 2 -7.544 7.518 0.241 21 H LYS 3 HN LYS 3 -8.196 5.926 7.578 22 HA LYS 3 HA LYS 3 -5.484 6.407 6.596 23 1HB LYS 3 HB2 LYS 3 -6.507 6.378 9.122 24 2HB LYS 3 HB1 LYS 3 -5.875 4.741 9.008 25 1HG LYS 3 HG2 LYS 3 -3.754 5.426 9.137 26 2HG LYS 3 HG1 LYS 3 -4.024 6.776 8.032 27 1HD LYS 3 HD2 LYS 3 -5.388 7.622 10.215 28 2HD LYS 3 HD1 LYS 3 -4.097 6.688 10.974 29 1HE LYS 3 HE2 LYS 3 -2.932 8.603 10.790 30 2HE LYS 3 HE1 LYS 3 -2.695 8.078 9.124 31 1HZ LYS 3 HZ1 LYS 3 -3.483 10.416 9.405 32 2HZ LYS 3 HZ2 LYS 3 -4.952 9.802 9.975 33 3HZ LYS 3 HZ3 LYS 3 -4.451 9.463 8.396 34 H VAL 4 HN VAL 4 -7.621 4.369 5.522 35 HA VAL 4 HA VAL 4 -6.569 1.787 5.863 36 HB VAL 4 HB VAL 4 -7.749 2.827 3.282 37 1HG1 VAL 4 HG11 VAL 4 -8.455 0.551 2.933 38 2HG1 VAL 4 HG12 VAL 4 -7.855 0.081 4.524 39 3HG1 VAL 4 HG13 VAL 4 -6.723 0.572 3.264 40 1HG2 VAL 4 HG21 VAL 4 -9.499 3.424 4.581 41 2HG2 VAL 4 HG22 VAL 4 -9.016 2.366 5.907 42 3HG2 VAL 4 HG23 VAL 4 -9.860 1.699 4.509 43 H PHE 5 HN PHE 5 -5.391 4.557 4.374 44 HA PHE 5 HA PHE 5 -3.811 3.922 2.301 45 1HB PHE 5 HB2 PHE 5 -4.086 6.137 3.540 46 2HB PHE 5 HB1 PHE 5 -2.827 5.559 4.623 47 HD1 PHE 5 HD1 PHE 5 -0.532 5.458 3.925 48 HD2 PHE 5 HD2 PHE 5 -3.575 6.680 1.213 49 HE1 PHE 5 HE1 PHE 5 1.188 6.303 2.381 50 HE2 PHE 5 HE2 PHE 5 -1.861 7.526 -0.336 51 HZ PHE 5 HZ PHE 5 0.525 7.337 0.247 52 H LYS 6 HN LYS 6 -3.346 3.026 5.602 53 HA LYS 6 HA LYS 6 -0.655 2.224 5.481 54 1HB LYS 6 HB2 LYS 6 -2.599 2.322 7.447 55 2HB LYS 6 HB1 LYS 6 -2.318 0.597 7.257 56 1HG LYS 6 HG2 LYS 6 0.006 2.445 7.545 57 2HG LYS 6 HG1 LYS 6 -0.925 1.972 8.967 58 1HD LYS 6 HD2 LYS 6 -0.106 -0.197 7.127 59 2HD LYS 6 HD1 LYS 6 1.174 0.576 8.063 60 1HE LYS 6 HE2 LYS 6 -0.307 0.200 10.098 61 2HE LYS 6 HE1 LYS 6 -1.265 -0.864 9.069 62 1HZ LYS 6 HZ1 LYS 6 0.674 -1.806 10.504 63 2HZ LYS 6 HZ2 LYS 6 1.638 -1.273 9.220 64 3HZ LYS 6 HZ3 LYS 6 0.407 -2.399 8.942 65 H ARG 7 HN ARG 7 -3.659 0.334 5.144 66 HA ARG 7 HA ARG 7 -2.347 -2.088 4.485 67 1HB ARG 7 HB2 ARG 7 -5.150 -1.075 4.039 68 2HB ARG 7 HB1 ARG 7 -4.632 -2.643 3.436 69 1HG ARG 7 HG2 ARG 7 -5.490 -3.298 5.426 70 2HG ARG 7 HG1 ARG 7 -3.846 -2.929 5.952 71 1HD ARG 7 HD2 ARG 7 -5.295 -0.513 6.057 72 2HD ARG 7 HD1 ARG 7 -6.321 -1.750 6.782 73 HE ARG 7 HE ARG 7 -3.869 -0.688 7.842 74 1HH1 ARG 7 HH11 ARG 7 -6.055 -3.408 7.861 75 2HH1 ARG 7 HH12 ARG 7 -5.553 -3.960 9.424 76 1HH2 ARG 7 HH21 ARG 7 -3.208 -1.412 9.897 77 2HH2 ARG 7 HH22 ARG 7 -3.937 -2.827 10.580 78 H LEU 8 HN LEU 8 -3.492 0.654 2.633 79 HA LEU 8 HA LEU 8 -3.101 -0.479 0.061 80 1HB LEU 8 HB2 LEU 8 -3.324 2.335 1.095 81 2HB LEU 8 HB1 LEU 8 -2.937 2.025 -0.587 82 HG LEU 8 HG LEU 8 -5.304 0.585 0.403 83 1HD1 LEU 8 HD11 LEU 8 -5.482 2.747 1.608 84 2HD1 LEU 8 HD12 LEU 8 -6.766 2.487 0.427 85 3HD1 LEU 8 HD13 LEU 8 -5.429 3.575 0.051 86 1HD2 LEU 8 HD21 LEU 8 -4.678 0.525 -1.926 87 2HD2 LEU 8 HD22 LEU 8 -4.703 2.286 -2.013 88 3HD2 LEU 8 HD23 LEU 8 -6.202 1.395 -1.752 89 H GLU 9 HN GLU 9 -1.096 1.415 2.271 90 HA GLU 9 HA GLU 9 1.103 1.776 0.553 91 1HB GLU 9 HB2 GLU 9 0.613 1.942 3.469 92 2HB GLU 9 HB1 GLU 9 2.285 1.694 2.986 93 1HG GLU 9 HG2 GLU 9 0.543 3.904 1.926 94 2HG GLU 9 HG1 GLU 9 1.627 4.074 3.305 95 H LYS 10 HN LYS 10 -0.005 -0.957 2.404 96 HA LYS 10 HA LYS 10 2.450 -2.397 2.418 97 1HB LYS 10 HB2 LYS 10 -0.413 -3.332 2.679 98 2HB LYS 10 HB1 LYS 10 0.987 -4.370 2.910 99 1HG LYS 10 HG2 LYS 10 1.578 -2.330 4.591 100 2HG LYS 10 HG1 LYS 10 -0.184 -2.352 4.685 101 1HD LYS 10 HD2 LYS 10 0.492 -5.023 4.820 102 2HD LYS 10 HD1 LYS 10 1.770 -4.235 5.747 103 1HE LYS 10 HE2 LYS 10 0.321 -4.301 7.451 104 2HE LYS 10 HE1 LYS 10 -0.468 -2.947 6.644 105 1HZ LYS 10 HZ1 LYS 10 -2.091 -4.608 7.151 106 2HZ LYS 10 HZ2 LYS 10 -1.180 -5.819 6.400 107 3HZ LYS 10 HZ3 LYS 10 -1.873 -4.586 5.473 108 H SER 11 HN SER 11 -0.357 -2.329 0.270 109 HA SER 11 HA SER 11 0.557 -4.412 -1.440 110 1HB SER 11 HB2 SER 11 -1.827 -3.180 -1.132 111 2HB SER 11 HB1 SER 11 -1.240 -2.340 -2.566 112 HG SER 11 HG SER 11 -1.599 -5.129 -2.215 113 H PHE 12 HN PHE 12 1.018 -0.945 -1.333 114 HA PHE 12 HA PHE 12 2.029 -0.609 -3.950 115 1HB PHE 12 HB2 PHE 12 1.291 1.130 -2.084 116 2HB PHE 12 HB1 PHE 12 3.014 1.117 -1.725 117 HD1 PHE 12 HD1 PHE 12 0.437 2.259 -3.968 118 HD2 PHE 12 HD2 PHE 12 4.639 1.770 -3.497 119 HE1 PHE 12 HE1 PHE 12 0.825 3.851 -5.804 120 HE2 PHE 12 HE2 PHE 12 5.034 3.362 -5.331 121 HZ PHE 12 HZ PHE 12 3.125 4.404 -6.487 122 H SER 13 HN SER 13 3.518 -1.524 -0.905 123 HA SER 13 HA SER 13 6.207 -1.207 -1.614 124 1HB SER 13 HB2 SER 13 4.720 -2.771 0.429 125 2HB SER 13 HB1 SER 13 6.375 -3.278 0.089 126 HG SER 13 HG SER 13 6.648 -1.757 1.594 127 H LYS 14 HN LYS 14 3.907 -3.731 -2.347 128 HA LYS 14 HA LYS 14 5.792 -5.672 -3.220 129 1HB LYS 14 HB2 LYS 14 2.861 -5.337 -3.880 130 2HB LYS 14 HB1 LYS 14 3.824 -6.749 -4.295 131 1HG LYS 14 HG2 LYS 14 4.225 -7.163 -1.912 132 2HG LYS 14 HG1 LYS 14 3.226 -5.765 -1.512 133 1HD LYS 14 HD2 LYS 14 1.582 -7.302 -1.371 134 2HD LYS 14 HD1 LYS 14 1.542 -7.129 -3.127 135 1HE LYS 14 HE2 LYS 14 2.941 -9.054 -3.410 136 2HE LYS 14 HE1 LYS 14 3.222 -9.164 -1.673 137 1HZ LYS 14 HZ1 LYS 14 0.820 -9.865 -3.212 138 2HZ LYS 14 HZ2 LYS 14 0.649 -9.384 -1.599 139 3HZ LYS 14 HZ3 LYS 14 1.599 -10.730 -1.983 140 H ILE 15 HN ILE 15 4.098 -3.027 -4.783 141 HA ILE 15 HA ILE 15 4.931 -3.782 -7.435 142 HB ILE 15 HB ILE 15 3.848 -1.101 -6.583 143 1HG1 ILE 15 HG12 ILE 15 2.318 -3.581 -7.405 144 2HG1 ILE 15 HG11 ILE 15 2.341 -2.872 -5.793 145 1HG2 ILE 15 HG21 ILE 15 4.869 -1.858 -8.974 146 2HG2 ILE 15 HG22 ILE 15 3.634 -0.617 -8.768 147 3HG2 ILE 15 HG23 ILE 15 3.167 -2.263 -9.194 148 1HD1 ILE 15 HD11 ILE 15 0.307 -2.347 -7.094 149 2HD1 ILE 15 HD12 ILE 15 1.314 -1.474 -8.250 150 3HD1 ILE 15 HD13 ILE 15 1.202 -0.917 -6.580 151 H GLN 16 HN GLN 16 6.173 -1.826 -4.855 152 HA GLN 16 HA GLN 16 7.812 -0.045 -6.206 153 1HB GLN 16 HB2 GLN 16 7.904 -1.338 -3.522 154 2HB GLN 16 HB1 GLN 16 9.332 -0.472 -4.071 155 1HG GLN 16 HG2 GLN 16 6.789 0.966 -4.387 156 2HG GLN 16 HG1 GLN 16 7.287 0.655 -2.725 157 1HE2 GLN 16 HE21 GLN 16 8.107 2.239 -5.719 158 2HE2 GLN 16 HE22 GLN 16 9.292 3.309 -5.060 159 H ASN 17 HN ASN 17 8.292 -3.452 -5.516 160 HA ASN 17 HA ASN 17 10.980 -3.372 -6.656 161 1HB ASN 17 HB2 ASN 17 10.491 -4.663 -4.550 162 2HB ASN 17 HB1 ASN 17 9.509 -5.757 -5.521 163 1HD2 ASN 17 HD21 ASN 17 12.162 -5.896 -3.986 164 2HD2 ASN 17 HD22 ASN 17 13.216 -6.706 -5.090 165 H ASP 18 HN ASP 18 7.854 -4.969 -7.188 166 HA ASP 18 HA ASP 18 8.754 -6.099 -9.698 167 1HB ASP 18 HB2 ASP 18 6.171 -6.209 -8.156 168 2HB ASP 18 HB1 ASP 18 6.278 -6.816 -9.806 169 H LYS 19 HN LYS 19 8.777 -4.963 -11.511 170 HA LYS 19 HA LYS 19 7.591 -2.420 -11.792 171 1HB LYS 19 HB2 LYS 19 9.594 -3.374 -13.056 172 2HB LYS 19 HB1 LYS 19 8.424 -4.196 -14.080 173 1HG LYS 19 HG2 LYS 19 7.555 -2.154 -14.890 174 2HG LYS 19 HG1 LYS 19 8.410 -1.222 -13.659 175 1HD LYS 19 HD2 LYS 19 10.472 -2.509 -14.866 176 2HD LYS 19 HD1 LYS 19 9.365 -2.299 -16.223 177 1HE LYS 19 HE2 LYS 19 9.338 0.146 -14.885 178 2HE LYS 19 HE1 LYS 19 11.028 -0.355 -14.880 179 1HZ LYS 19 HZ1 LYS 19 10.804 -0.728 -17.312 180 2HZ LYS 19 HZ2 LYS 19 10.631 0.890 -16.848 181 3HZ LYS 19 HZ3 LYS 19 9.265 -0.026 -17.243 182 1HN NH2 20 NH1 NH2 20 6.056 -1.843 -13.544 183 2HN NH2 20 NH2 NH2 20 4.679 -2.859 -13.787 Start of MODEL 20 1 1H ALA 1 HT1 ALA 1 -9.609 10.332 8.206 2 2H ALA 1 HT2 ALA 1 -10.501 10.159 9.662 3 3H ALA 1 HT3 ALA 1 -11.134 9.550 8.188 4 HA ALA 1 HA ALA 1 -8.609 8.625 9.357 5 1HB ALA 1 HB1 ALA 1 -11.413 7.883 10.000 6 2HB ALA 1 HB2 ALA 1 -9.989 7.940 11.039 7 3HB ALA 1 HB3 ALA 1 -10.208 6.598 9.917 8 H LYS 2 HN LYS 2 -8.946 9.224 6.680 9 HA LYS 2 HA LYS 2 -9.589 6.684 5.371 10 1HB LYS 2 HB2 LYS 2 -10.094 9.306 4.652 11 2HB LYS 2 HB1 LYS 2 -8.722 8.874 3.640 12 1HG LYS 2 HG2 LYS 2 -10.447 6.696 3.467 13 2HG LYS 2 HG1 LYS 2 -11.493 8.117 3.408 14 1HD LYS 2 HD2 LYS 2 -9.049 8.252 1.763 15 2HD LYS 2 HD1 LYS 2 -10.254 7.069 1.251 16 1HE LYS 2 HE2 LYS 2 -10.793 9.050 0.101 17 2HE LYS 2 HE1 LYS 2 -11.955 8.942 1.423 18 1HZ LYS 2 HZ1 LYS 2 -10.910 10.633 2.586 19 2HZ LYS 2 HZ2 LYS 2 -10.806 11.172 0.986 20 3HZ LYS 2 HZ3 LYS 2 -9.456 10.480 1.734 21 H LYS 3 HN LYS 3 -7.242 6.851 6.989 22 HA LYS 3 HA LYS 3 -5.030 6.968 5.069 23 1HB LYS 3 HB2 LYS 3 -4.957 7.993 7.429 24 2HB LYS 3 HB1 LYS 3 -4.803 6.341 8.011 25 1HG LYS 3 HG2 LYS 3 -2.908 6.630 5.958 26 2HG LYS 3 HG1 LYS 3 -2.799 8.085 6.950 27 1HD LYS 3 HD2 LYS 3 -3.023 5.980 8.771 28 2HD LYS 3 HD1 LYS 3 -1.921 5.392 7.525 29 1HE LYS 3 HE2 LYS 3 -1.653 7.977 9.055 30 2HE LYS 3 HE1 LYS 3 -0.710 6.512 9.326 31 1HZ LYS 3 HZ1 LYS 3 0.569 6.899 7.532 32 2HZ LYS 3 HZ2 LYS 3 0.096 8.505 7.769 33 3HZ LYS 3 HZ3 LYS 3 -0.693 7.554 6.614 34 H VAL 4 HN VAL 4 -7.196 4.761 5.353 35 HA VAL 4 HA VAL 4 -5.959 2.388 6.180 36 HB VAL 4 HB VAL 4 -8.343 2.467 5.575 37 1HG1 VAL 4 HG11 VAL 4 -7.620 3.906 3.428 38 2HG1 VAL 4 HG12 VAL 4 -9.157 3.049 3.550 39 3HG1 VAL 4 HG13 VAL 4 -7.809 2.321 2.676 40 1HG2 VAL 4 HG21 VAL 4 -8.164 0.269 5.329 41 2HG2 VAL 4 HG22 VAL 4 -6.488 0.445 4.811 42 3HG2 VAL 4 HG23 VAL 4 -7.789 0.493 3.621 43 H PHE 5 HN PHE 5 -5.389 4.491 3.612 44 HA PHE 5 HA PHE 5 -4.318 3.159 1.538 45 1HB PHE 5 HB2 PHE 5 -4.463 5.676 2.004 46 2HB PHE 5 HB1 PHE 5 -2.920 5.489 2.826 47 HD1 PHE 5 HD1 PHE 5 -1.013 5.908 1.618 48 HD2 PHE 5 HD2 PHE 5 -4.504 4.607 -0.439 49 HE1 PHE 5 HE1 PHE 5 0.163 6.159 -0.529 50 HE2 PHE 5 HE2 PHE 5 -3.334 4.855 -2.589 51 HZ PHE 5 HZ PHE 5 -0.998 5.631 -2.636 52 H LYS 6 HN LYS 6 -2.982 3.512 4.702 53 HA LYS 6 HA LYS 6 -0.346 2.701 4.217 54 1HB LYS 6 HB2 LYS 6 -1.988 3.235 6.501 55 2HB LYS 6 HB1 LYS 6 -1.140 1.719 6.768 56 1HG LYS 6 HG2 LYS 6 0.888 3.226 5.851 57 2HG LYS 6 HG1 LYS 6 -0.105 4.470 6.614 58 1HD LYS 6 HD2 LYS 6 0.157 2.079 8.254 59 2HD LYS 6 HD1 LYS 6 1.714 2.823 7.884 60 1HE LYS 6 HE2 LYS 6 0.552 5.029 8.568 61 2HE LYS 6 HE1 LYS 6 -0.639 3.979 9.334 62 1HZ LYS 6 HZ1 LYS 6 2.140 3.378 9.922 63 2HZ LYS 6 HZ2 LYS 6 0.794 3.385 10.945 64 3HZ LYS 6 HZ3 LYS 6 1.562 4.839 10.550 65 H ARG 7 HN ARG 7 -3.220 0.815 5.131 66 HA ARG 7 HA ARG 7 -1.941 -1.695 5.167 67 1HB ARG 7 HB2 ARG 7 -4.745 -0.732 5.017 68 2HB ARG 7 HB1 ARG 7 -4.449 -2.371 4.455 69 1HG ARG 7 HG2 ARG 7 -4.506 -3.077 6.549 70 2HG ARG 7 HG1 ARG 7 -3.084 -2.095 6.904 71 1HD ARG 7 HD2 ARG 7 -5.908 -1.046 6.963 72 2HD ARG 7 HD1 ARG 7 -5.063 -1.666 8.381 73 HE ARG 7 HE ARG 7 -3.571 0.367 7.048 74 1HH1 ARG 7 HH11 ARG 7 -6.214 -0.169 9.263 75 2HH1 ARG 7 HH12 ARG 7 -6.044 1.372 10.034 76 1HH2 ARG 7 HH21 ARG 7 -3.345 2.393 8.061 77 2HH2 ARG 7 HH22 ARG 7 -4.416 2.827 9.352 78 H LEU 8 HN LEU 8 -3.559 0.132 2.618 79 HA LEU 8 HA LEU 8 -3.346 -1.845 0.608 80 1HB LEU 8 HB2 LEU 8 -3.833 1.097 0.659 81 2HB LEU 8 HB1 LEU 8 -3.378 0.365 -0.868 82 HG LEU 8 HG LEU 8 -5.615 -0.875 0.657 83 1HD1 LEU 8 HD11 LEU 8 -5.640 1.845 -0.523 84 2HD1 LEU 8 HD12 LEU 8 -6.554 1.187 0.834 85 3HD1 LEU 8 HD13 LEU 8 -7.035 0.808 -0.820 86 1HD2 LEU 8 HD21 LEU 8 -6.156 -1.787 -1.337 87 2HD2 LEU 8 HD22 LEU 8 -4.463 -1.450 -1.701 88 3HD2 LEU 8 HD23 LEU 8 -5.721 -0.338 -2.242 89 H GLU 9 HN GLU 9 -1.284 0.857 1.605 90 HA GLU 9 HA GLU 9 0.663 0.560 -0.412 91 1HB GLU 9 HB2 GLU 9 0.336 2.492 1.263 92 2HB GLU 9 HB1 GLU 9 1.269 1.508 2.382 93 1HG GLU 9 HG2 GLU 9 3.142 1.498 0.826 94 2HG GLU 9 HG1 GLU 9 2.206 2.461 -0.315 95 H LYS 10 HN LYS 10 0.052 -1.141 2.568 96 HA LYS 10 HA LYS 10 2.610 -2.377 2.789 97 1HB LYS 10 HB2 LYS 10 0.236 -2.290 4.306 98 2HB LYS 10 HB1 LYS 10 0.495 -3.985 3.917 99 1HG LYS 10 HG2 LYS 10 1.606 -3.710 5.931 100 2HG LYS 10 HG1 LYS 10 2.898 -3.595 4.734 101 1HD LYS 10 HD2 LYS 10 3.460 -1.652 5.671 102 2HD LYS 10 HD1 LYS 10 1.964 -0.988 5.012 103 1HE LYS 10 HE2 LYS 10 1.440 -0.537 7.141 104 2HE LYS 10 HE1 LYS 10 1.087 -2.260 7.269 105 1HZ LYS 10 HZ1 LYS 10 3.860 -1.462 7.669 106 2HZ LYS 10 HZ2 LYS 10 2.949 -2.646 8.462 107 3HZ LYS 10 HZ3 LYS 10 2.767 -1.018 8.882 108 H SER 11 HN SER 11 -0.483 -3.326 1.362 109 HA SER 11 HA SER 11 0.375 -5.914 0.550 110 1HB SER 11 HB2 SER 11 -1.685 -5.423 -1.123 111 2HB SER 11 HB1 SER 11 -1.906 -5.904 0.559 112 HG SER 11 HG SER 11 -2.575 -3.950 1.042 113 H PHE 12 HN PHE 12 0.559 -2.726 -0.849 114 HA PHE 12 HA PHE 12 1.293 -3.714 -3.469 115 1HB PHE 12 HB2 PHE 12 0.005 -1.525 -2.879 116 2HB PHE 12 HB1 PHE 12 1.612 -0.861 -2.602 117 HD1 PHE 12 HD1 PHE 12 -0.434 -2.622 -5.155 118 HD2 PHE 12 HD2 PHE 12 2.855 -0.037 -4.376 119 HE1 PHE 12 HE1 PHE 12 -0.199 -2.201 -7.567 120 HE2 PHE 12 HE2 PHE 12 3.096 0.390 -6.787 121 HZ PHE 12 HZ PHE 12 1.567 -0.693 -8.386 122 H SER 13 HN SER 13 2.945 -3.844 -0.738 123 HA SER 13 HA SER 13 5.357 -2.498 -1.175 124 1HB SER 13 HB2 SER 13 6.252 -3.804 0.564 125 2HB SER 13 HB1 SER 13 4.529 -3.741 0.934 126 HG SER 13 HG SER 13 4.327 -5.802 -0.039 127 H LYS 14 HN LYS 14 4.387 -5.805 -2.040 128 HA LYS 14 HA LYS 14 6.804 -6.605 -3.197 129 1HB LYS 14 HB2 LYS 14 4.120 -7.613 -2.998 130 2HB LYS 14 HB1 LYS 14 4.713 -7.850 -4.636 131 1HG LYS 14 HG2 LYS 14 6.844 -8.730 -3.304 132 2HG LYS 14 HG1 LYS 14 5.603 -9.073 -2.097 133 1HD LYS 14 HD2 LYS 14 4.896 -9.861 -4.834 134 2HD LYS 14 HD1 LYS 14 6.276 -10.727 -4.155 135 1HE LYS 14 HE2 LYS 14 4.850 -11.163 -2.121 136 2HE LYS 14 HE1 LYS 14 3.484 -10.536 -3.044 137 1HZ LYS 14 HZ1 LYS 14 3.513 -12.322 -4.468 138 2HZ LYS 14 HZ2 LYS 14 3.964 -13.064 -3.016 139 3HZ LYS 14 HZ3 LYS 14 5.139 -12.690 -4.175 140 H ILE 15 HN ILE 15 4.008 -4.950 -4.585 141 HA ILE 15 HA ILE 15 5.093 -4.930 -7.245 142 HB ILE 15 HB ILE 15 2.851 -3.219 -6.176 143 1HG1 ILE 15 HG12 ILE 15 2.733 -5.999 -7.369 144 2HG1 ILE 15 HG11 ILE 15 2.404 -5.582 -5.689 145 1HG2 ILE 15 HG21 ILE 15 2.110 -3.175 -8.497 146 2HG2 ILE 15 HG22 ILE 15 3.486 -4.173 -8.965 147 3HG2 ILE 15 HG23 ILE 15 3.749 -2.542 -8.347 148 1HD1 ILE 15 HD11 ILE 15 0.465 -4.310 -6.348 149 2HD1 ILE 15 HD12 ILE 15 0.365 -5.944 -7.005 150 3HD1 ILE 15 HD13 ILE 15 0.821 -4.600 -8.051 151 H GLN 16 HN GLN 16 5.369 -2.929 -4.447 152 HA GLN 16 HA GLN 16 5.876 -0.429 -5.527 153 1HB GLN 16 HB2 GLN 16 5.852 -1.390 -3.031 154 2HB GLN 16 HB1 GLN 16 7.592 -1.322 -3.270 155 1HG GLN 16 HG2 GLN 16 6.802 1.124 -4.181 156 2HG GLN 16 HG1 GLN 16 5.661 0.830 -2.870 157 1HE2 GLN 16 HE21 GLN 16 6.299 1.253 -0.872 158 2HE2 GLN 16 HE22 GLN 16 7.928 1.538 -0.373 159 H ASN 17 HN ASN 17 7.893 -3.273 -5.456 160 HA ASN 17 HA ASN 17 10.345 -1.979 -6.082 161 1HB ASN 17 HB2 ASN 17 9.543 -4.579 -5.431 162 2HB ASN 17 HB1 ASN 17 10.200 -4.706 -7.060 163 1HD2 ASN 17 HD21 ASN 17 12.289 -5.046 -7.186 164 2HD2 ASN 17 HD22 ASN 17 13.465 -4.639 -5.988 165 H ASP 18 HN ASP 18 8.095 -3.884 -8.090 166 HA ASP 18 HA ASP 18 9.407 -2.972 -10.509 167 1HB ASP 18 HB2 ASP 18 7.393 -5.027 -9.812 168 2HB ASP 18 HB1 ASP 18 7.240 -4.312 -11.414 169 H LYS 19 HN LYS 19 9.012 -0.808 -10.741 170 HA LYS 19 HA LYS 19 6.276 0.176 -10.581 171 1HB LYS 19 HB2 LYS 19 8.976 1.452 -10.774 172 2HB LYS 19 HB1 LYS 19 7.556 2.375 -11.248 173 1HG LYS 19 HG2 LYS 19 6.636 2.268 -9.083 174 2HG LYS 19 HG1 LYS 19 7.774 1.016 -8.580 175 1HD LYS 19 HD2 LYS 19 8.899 2.742 -7.671 176 2HD LYS 19 HD1 LYS 19 9.477 2.991 -9.320 177 1HE LYS 19 HE2 LYS 19 8.683 5.073 -9.047 178 2HE LYS 19 HE1 LYS 19 7.117 4.333 -9.377 179 1HZ LYS 19 HZ1 LYS 19 6.987 3.968 -6.890 180 2HZ LYS 19 HZ2 LYS 19 6.828 5.564 -7.427 181 3HZ LYS 19 HZ3 LYS 19 8.289 5.040 -6.755 182 1HN NH2 20 NH1 NH2 20 5.954 2.012 -12.390 183 2HN NH2 20 NH2 NH2 20 6.087 1.407 -14.002
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