NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621905 | 5ykl | 36125 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H PHE 1 3.343 -0.151 0.929 2 HA PHE 1 HA PHE 1 1.741 0.136 -1.476 3 HB2 PHE 1 2HB PHE 1 4.386 0.823 -0.723 4 HB3 PHE 1 3HB PHE 1 4.511 -0.336 -2.042 5 HD1 PHE 1 HD1 PHE 1 4.821 0.663 -4.074 6 HD2 PHE 1 HD2 PHE 1 2.256 2.530 -1.236 7 HE1 PHE 1 HE1 PHE 1 4.340 2.454 -5.691 8 HE2 PHE 1 HE2 PHE 1 1.770 4.323 -2.849 9 HZ PHE 1 HZ PHE 1 2.812 4.286 -5.080 10 H LEU 2 H LEU 2 4.336 -2.095 -0.459 11 HA LEU 2 HA LEU 2 3.882 -4.011 -2.441 12 HB2 LEU 2 2HB LEU 2 5.360 -3.854 0.083 13 HB3 LEU 2 3HB LEU 2 4.852 -5.484 -0.356 14 HG LEU 2 HG LEU 2 6.004 -5.180 -2.547 15 HD11 LEU 2 1HD1 LEU 2 6.443 -2.508 -1.397 16 HD12 LEU 2 2HD1 LEU 2 6.352 -3.023 -3.081 17 HD13 LEU 2 3HD1 LEU 2 7.846 -3.246 -2.171 18 HD21 LEU 2 1HD2 LEU 2 7.021 -5.916 -0.123 19 HD22 LEU 2 2HD2 LEU 2 8.171 -4.684 -0.644 20 HD23 LEU 2 3HD2 LEU 2 7.854 -6.086 -1.668 21 HA PRO 3 HA PRO 3 0.349 -6.303 -1.215 22 HB2 PRO 3 2HB PRO 3 1.087 -8.858 -1.758 23 HB3 PRO 3 3HB PRO 3 0.726 -7.674 -3.020 24 HG2 PRO 3 2HG PRO 3 3.381 -8.560 -1.958 25 HG3 PRO 3 3HG PRO 3 2.885 -8.277 -3.637 26 HD2 PRO 3 2HD PRO 3 4.319 -6.471 -2.217 27 HD3 PRO 3 3HD PRO 3 3.146 -5.994 -3.462 28 H LYS 4 H LYS 4 -0.548 -7.523 0.446 29 HA LYS 4 HA LYS 4 1.329 -8.373 2.554 30 HB2 LYS 4 2HB LYS 4 -1.008 -7.947 3.892 31 HB3 LYS 4 3HB LYS 4 0.299 -6.776 3.764 32 HG2 LYS 4 2HG LYS 4 -0.804 -5.520 2.170 33 HG3 LYS 4 3HG LYS 4 -1.840 -6.862 1.681 34 HD2 LYS 4 2HD LYS 4 -3.101 -5.194 2.941 35 HD3 LYS 4 3HD LYS 4 -3.027 -6.725 3.818 36 HE2 LYS 4 2HE LYS 4 -2.658 -4.737 5.257 37 HE3 LYS 4 3HE LYS 4 -1.310 -5.874 5.267 38 HZ1 LYS 4 1HZ LYS 4 -0.824 -3.379 5.032 39 HZ2 LYS 4 2HZ LYS 4 -1.311 -3.572 3.424 40 HZ3 LYS 4 3HZ LYS 4 0.002 -4.456 4.023 41 H LEU 5 H LEU 5 0.510 -10.093 0.486 42 HA LEU 5 HA LEU 5 -1.683 -11.668 0.798 43 HB2 LEU 5 2HB LEU 5 0.856 -11.916 -0.425 44 HB3 LEU 5 3HB LEU 5 0.545 -13.415 0.448 45 HG LEU 5 HG LEU 5 -1.456 -12.264 -1.475 46 HD11 LEU 5 1HD1 LEU 5 -0.515 -13.414 -3.269 47 HD12 LEU 5 2HD1 LEU 5 0.546 -14.364 -2.229 48 HD13 LEU 5 3HD1 LEU 5 0.869 -12.649 -2.487 49 HD21 LEU 5 1HD2 LEU 5 -1.791 -14.882 -1.611 50 HD22 LEU 5 2HD2 LEU 5 -2.540 -13.918 -0.338 51 HD23 LEU 5 3HD2 LEU 5 -1.059 -14.818 -0.008 52 H PHE 6 H PHE 6 1.268 -11.768 2.734 53 HA PHE 6 HA PHE 6 -0.127 -13.546 4.624 54 HB2 PHE 6 2HB PHE 6 2.066 -14.293 3.259 55 HB3 PHE 6 3HB PHE 6 2.840 -13.506 4.631 56 HD1 PHE 6 HD1 PHE 6 3.149 -14.665 6.610 57 HD2 PHE 6 HD2 PHE 6 0.287 -16.074 3.792 58 HE1 PHE 6 HE1 PHE 6 2.825 -16.697 7.960 59 HE2 PHE 6 HE2 PHE 6 -0.041 -18.108 5.137 60 HZ PHE 6 HZ PHE 6 1.228 -18.421 7.224 61 H ALA 7 H ALA 7 1.223 -10.526 4.116 62 HA ALA 7 HA ALA 7 2.297 -9.992 6.695 63 HB1 ALA 7 1HB ALA 7 2.901 -8.037 5.800 64 HB2 ALA 7 2HB ALA 7 2.293 -8.687 4.278 65 HB3 ALA 7 3HB ALA 7 1.258 -7.668 5.278 66 H LYS 8 H LYS 8 -0.902 -9.911 5.332 67 HA LYS 8 HA LYS 8 -1.999 -8.433 7.581 68 HB2 LYS 8 2HB LYS 8 -4.135 -8.626 6.406 69 HB3 LYS 8 3HB LYS 8 -2.883 -8.012 5.334 70 HG2 LYS 8 2HG LYS 8 -2.671 -10.620 4.788 71 HG3 LYS 8 3HG LYS 8 -4.372 -10.560 5.255 72 HD2 LYS 8 2HD LYS 8 -3.062 -8.822 3.163 73 HD3 LYS 8 3HD LYS 8 -4.069 -10.235 2.839 74 HE2 LYS 8 2HE LYS 8 -5.913 -9.086 4.093 75 HE3 LYS 8 3HE LYS 8 -4.897 -7.646 4.138 76 HZ1 LYS 8 1HZ LYS 8 -6.367 -8.810 1.921 77 HZ2 LYS 8 2HZ LYS 8 -4.829 -8.214 1.544 78 HZ3 LYS 8 3HZ LYS 8 -5.985 -7.192 2.238 79 H ILE 9 H ILE 9 -1.999 -11.713 6.284 80 HA ILE 9 HA ILE 9 -3.864 -12.794 8.116 81 HB ILE 9 HB ILE 9 -3.308 -14.902 7.293 82 HG12 ILE 9 2HG1 ILE 9 -1.015 -14.997 5.900 83 HG13 ILE 9 3HG1 ILE 9 -0.579 -13.747 7.060 84 HG21 ILE 9 1HG2 ILE 9 -3.783 -12.881 5.544 85 HG22 ILE 9 2HG2 ILE 9 -2.315 -13.585 4.867 86 HG23 ILE 9 3HG2 ILE 9 -3.743 -14.590 5.111 87 HD11 ILE 9 1HD1 ILE 9 -1.021 -16.630 7.452 88 HD12 ILE 9 2HD1 ILE 9 0.087 -15.523 8.264 89 HD13 ILE 9 3HD1 ILE 9 -1.614 -15.567 8.729 90 H THR 10 H THR 10 -0.470 -12.095 8.313 91 HA THR 10 HA THR 10 -0.054 -13.722 10.672 92 HB THR 10 HB THR 10 2.209 -12.584 10.697 93 HG1 THR 10 HG1 THR 10 2.722 -11.231 9.057 94 HG21 THR 10 1HG2 THR 10 1.881 -14.780 9.677 95 HG22 THR 10 2HG2 THR 10 3.045 -13.830 8.753 96 HG23 THR 10 3HG2 THR 10 1.393 -14.016 8.165 97 H LYS 11 H LYS 11 -0.542 -13.090 12.659 98 HA LYS 11 HA LYS 11 -0.638 -10.201 13.236 99 HB2 LYS 11 2HB LYS 11 -2.331 -10.876 15.024 100 HB3 LYS 11 3HB LYS 11 -2.875 -10.929 13.353 101 HG2 LYS 11 2HG LYS 11 -1.761 -13.408 14.558 102 HG3 LYS 11 3HG LYS 11 -3.383 -12.890 15.025 103 HD2 LYS 11 2HD LYS 11 -3.761 -12.663 12.462 104 HD3 LYS 11 3HD LYS 11 -2.358 -13.726 12.340 105 HE2 LYS 11 2HE LYS 11 -3.500 -15.521 13.077 106 HE3 LYS 11 3HE LYS 11 -4.395 -14.585 14.273 107 HZ1 LYS 11 1HZ LYS 11 -5.621 -13.668 12.217 108 HZ2 LYS 11 2HZ LYS 11 -6.023 -15.209 12.788 109 HZ3 LYS 11 3HZ LYS 11 -5.024 -15.043 11.433 110 H LYS 12 H LYS 12 1.415 -12.490 13.582 111 HA LYS 12 HA LYS 12 1.845 -12.215 16.476 112 HB2 LYS 12 2HB LYS 12 3.643 -14.018 15.037 113 HB3 LYS 12 3HB LYS 12 2.692 -14.301 16.489 114 HG2 LYS 12 2HG LYS 12 0.684 -14.496 14.926 115 HG3 LYS 12 3HG LYS 12 1.869 -14.616 13.624 116 HD2 LYS 12 2HD LYS 12 1.499 -16.838 14.154 117 HD3 LYS 12 3HD LYS 12 2.931 -16.462 15.114 118 HE2 LYS 12 2HE LYS 12 1.757 -16.447 17.100 119 HE3 LYS 12 3HE LYS 12 0.222 -16.087 16.311 120 HZ1 LYS 12 1HZ LYS 12 0.053 -18.307 15.545 121 HZ2 LYS 12 2HZ LYS 12 0.446 -18.396 17.187 122 HZ3 LYS 12 3HZ LYS 12 1.635 -18.678 16.017 123 H ASN 13 H ASN 13 4.020 -12.613 13.681 124 HA ASN 13 HA ASN 13 6.138 -11.174 14.840 125 HB2 ASN 13 2HB ASN 13 5.612 -12.530 12.359 126 HB3 ASN 13 3HB ASN 13 6.398 -10.988 12.033 127 HD21 ASN 13 1HD2 ASN 13 6.732 -13.241 14.741 128 HD22 ASN 13 2HD2 ASN 13 8.426 -13.511 14.533 129 H MET 14 H MET 14 3.263 -10.122 13.325 130 HA MET 14 HA MET 14 4.050 -7.682 12.211 131 HB2 MET 14 2HB MET 14 1.804 -8.805 11.975 132 HB3 MET 14 3HB MET 14 1.415 -8.215 13.584 133 HG2 MET 14 2HG MET 14 0.660 -6.363 12.647 134 HG3 MET 14 3HG MET 14 2.318 -5.979 12.192 135 HE1 MET 14 1HE MET 14 2.856 -5.286 10.120 136 HE2 MET 14 2HE MET 14 3.325 -6.896 9.576 137 HE3 MET 14 3HE MET 14 2.300 -5.885 8.557 138 H ALA 15 H ALA 15 2.739 -8.339 15.460 139 HA ALA 15 HA ALA 15 3.227 -5.664 16.364 140 HB1 ALA 15 1HB ALA 15 1.402 -6.823 17.349 141 HB2 ALA 15 2HB ALA 15 2.429 -8.182 17.809 142 HB3 ALA 15 3HB ALA 15 2.623 -6.620 18.606 143 H HIS 16 H HIS 16 5.315 -8.075 15.676 144 HA HIS 16 HA HIS 16 7.125 -7.481 17.913 145 HB2 HIS 16 2HB HIS 16 6.544 -9.869 16.420 146 HB3 HIS 16 3HB HIS 16 8.253 -9.472 16.255 147 HD1 HIS 16 HD1 HIS 16 9.259 -8.737 18.849 148 HD2 HIS 16 HD2 HIS 16 6.186 -11.513 18.517 149 HE1 HIS 16 HE1 HIS 16 9.299 -10.043 20.997 150 H ILE 17 H ILE 17 6.579 -6.854 14.608 151 HA ILE 17 HA ILE 17 9.107 -6.547 13.539 152 HB ILE 17 HB ILE 17 8.175 -4.985 11.969 153 HG12 ILE 17 2HG1 ILE 17 6.054 -4.639 14.071 154 HG13 ILE 17 3HG1 ILE 17 7.003 -3.406 13.248 155 HG21 ILE 17 1HG2 ILE 17 5.893 -6.823 12.595 156 HG22 ILE 17 2HG2 ILE 17 6.522 -6.329 11.024 157 HG23 ILE 17 3HG2 ILE 17 7.442 -7.447 12.030 158 HD11 ILE 17 1HD1 ILE 17 5.774 -3.970 11.156 159 HD12 ILE 17 2HD1 ILE 17 4.738 -5.023 12.119 160 HD13 ILE 17 3HD1 ILE 17 4.773 -3.290 12.439 161 H ARG 18 H ARG 18 7.289 -4.330 15.601 162 HA ARG 18 HA ARG 18 9.430 -2.363 15.522 163 HB2 ARG 18 2HB ARG 18 6.838 -1.940 15.623 164 HB3 ARG 18 3HB ARG 18 7.071 -2.163 17.352 165 HG2 ARG 18 2HG ARG 18 8.350 -0.256 17.563 166 HG3 ARG 18 3HG ARG 18 8.806 -0.250 15.858 167 HD2 ARG 18 2HD ARG 18 7.282 1.483 15.957 168 HD3 ARG 18 3HD ARG 18 6.271 0.130 15.449 169 HE ARG 18 HE ARG 18 5.161 0.240 17.455 170 HH11 ARG 18 1HH1 ARG 18 8.063 2.157 17.624 171 HH12 ARG 18 2HH1 ARG 18 7.654 2.877 19.146 172 HH21 ARG 18 1HH2 ARG 18 4.612 1.181 19.459 173 HH22 ARG 18 2HH2 ARG 18 5.692 2.321 20.189 174 H CYS 19 H CYS 19 7.593 -3.665 18.279 175 HA CYS 19 HA CYS 19 8.229 -4.239 20.386 176 HB2 CYS 19 2HB CYS 19 9.811 -5.709 18.593 177 HB3 CYS 19 3HB CYS 19 10.922 -5.135 19.831 178 HG CYS 19 HG CYS 19 8.058 -6.894 20.481 Start of MODEL 2 1 H1 PHE 1 H PHE 1 7.524 -1.111 -3.331 2 HA PHE 1 HA PHE 1 7.496 -1.632 -0.619 3 HB2 PHE 1 2HB PHE 1 5.207 -1.324 0.067 4 HB3 PHE 1 3HB PHE 1 5.809 0.212 -0.548 5 HD1 PHE 1 HD1 PHE 1 5.223 0.844 -2.943 6 HD2 PHE 1 HD2 PHE 1 3.273 -2.277 -0.804 7 HE1 PHE 1 HE1 PHE 1 3.325 0.965 -4.504 8 HE2 PHE 1 HE2 PHE 1 1.372 -2.162 -2.363 9 HZ PHE 1 HZ PHE 1 1.397 -0.540 -4.216 10 H LEU 2 H LEU 2 6.256 -3.596 -0.056 11 HA LEU 2 HA LEU 2 5.762 -5.243 -2.449 12 HB2 LEU 2 2HB LEU 2 7.299 -5.712 -0.000 13 HB3 LEU 2 3HB LEU 2 6.220 -7.035 -0.438 14 HG LEU 2 HG LEU 2 7.338 -6.900 -2.754 15 HD11 LEU 2 1HD1 LEU 2 9.391 -5.857 -2.974 16 HD12 LEU 2 2HD1 LEU 2 9.630 -5.727 -1.232 17 HD13 LEU 2 3HD1 LEU 2 8.463 -4.682 -2.042 18 HD21 LEU 2 1HD2 LEU 2 8.765 -7.884 -0.290 19 HD22 LEU 2 2HD2 LEU 2 9.251 -8.289 -1.937 20 HD23 LEU 2 3HD2 LEU 2 7.670 -8.789 -1.336 21 HA PRO 3 HA PRO 3 1.692 -6.157 -1.088 22 HB2 PRO 3 2HB PRO 3 1.441 -8.788 -1.711 23 HB3 PRO 3 3HB PRO 3 1.479 -7.511 -2.932 24 HG2 PRO 3 2HG PRO 3 3.679 -9.324 -2.019 25 HG3 PRO 3 3HG PRO 3 3.251 -8.826 -3.666 26 HD2 PRO 3 2HD PRO 3 5.293 -7.703 -2.289 27 HD3 PRO 3 3HD PRO 3 4.322 -6.795 -3.465 28 H LYS 4 H LYS 4 0.483 -7.036 0.591 29 HA LYS 4 HA LYS 4 2.013 -8.572 2.589 30 HB2 LYS 4 2HB LYS 4 0.089 -7.402 4.085 31 HB3 LYS 4 3HB LYS 4 1.686 -6.710 3.833 32 HG2 LYS 4 2HG LYS 4 0.917 -5.107 2.385 33 HG3 LYS 4 3HG LYS 4 -0.489 -6.061 1.905 34 HD2 LYS 4 2HD LYS 4 -1.186 -4.176 3.262 35 HD3 LYS 4 3HD LYS 4 -1.475 -5.685 4.131 36 HE2 LYS 4 2HE LYS 4 -0.221 -4.976 5.820 37 HE3 LYS 4 3HE LYS 4 1.154 -4.769 4.737 38 HZ1 LYS 4 1HZ LYS 4 -0.049 -2.775 6.069 39 HZ2 LYS 4 2HZ LYS 4 -0.832 -2.678 4.573 40 HZ3 LYS 4 3HZ LYS 4 0.854 -2.566 4.654 41 H LEU 5 H LEU 5 0.429 -9.689 0.462 42 HA LEU 5 HA LEU 5 -2.136 -10.412 0.940 43 HB2 LEU 5 2HB LEU 5 0.123 -11.590 -0.424 44 HB3 LEU 5 3HB LEU 5 -0.933 -12.830 0.249 45 HG LEU 5 HG LEU 5 -1.740 -10.657 -1.684 46 HD11 LEU 5 1HD1 LEU 5 -2.276 -13.116 -2.798 47 HD12 LEU 5 2HD1 LEU 5 -0.717 -13.359 -2.009 48 HD13 LEU 5 3HD1 LEU 5 -0.913 -12.069 -3.196 49 HD21 LEU 5 1HD2 LEU 5 -3.847 -12.128 -1.765 50 HD22 LEU 5 2HD2 LEU 5 -3.647 -11.030 -0.399 51 HD23 LEU 5 3HD2 LEU 5 -3.299 -12.749 -0.208 52 H PHE 6 H PHE 6 0.719 -11.668 2.583 53 HA PHE 6 HA PHE 6 -1.070 -12.997 4.510 54 HB2 PHE 6 2HB PHE 6 0.632 -14.343 2.904 55 HB3 PHE 6 3HB PHE 6 1.706 -14.002 4.256 56 HD1 PHE 6 HD1 PHE 6 1.697 -15.383 6.110 57 HD2 PHE 6 HD2 PHE 6 -1.648 -15.408 3.479 58 HE1 PHE 6 HE1 PHE 6 0.742 -17.283 7.348 59 HE2 PHE 6 HE2 PHE 6 -2.609 -17.307 4.713 60 HZ PHE 6 HZ PHE 6 -1.415 -18.247 6.650 61 H ALA 7 H ALA 7 1.154 -10.570 4.024 62 HA ALA 7 HA ALA 7 2.563 -10.651 6.503 63 HB1 ALA 7 1HB ALA 7 2.922 -9.299 4.187 64 HB2 ALA 7 2HB ALA 7 2.240 -8.032 5.207 65 HB3 ALA 7 3HB ALA 7 3.702 -8.880 5.712 66 H LYS 8 H LYS 8 -0.491 -9.345 5.453 67 HA LYS 8 HA LYS 8 -0.834 -7.781 7.879 68 HB2 LYS 8 2HB LYS 8 -3.064 -7.236 6.877 69 HB3 LYS 8 3HB LYS 8 -1.690 -6.779 5.880 70 HG2 LYS 8 2HG LYS 8 -2.378 -8.054 4.199 71 HG3 LYS 8 3HG LYS 8 -2.605 -9.449 5.257 72 HD2 LYS 8 2HD LYS 8 -4.560 -7.173 4.921 73 HD3 LYS 8 3HD LYS 8 -4.697 -8.758 4.156 74 HE2 LYS 8 2HE LYS 8 -5.885 -9.350 5.951 75 HE3 LYS 8 3HE LYS 8 -4.346 -9.382 6.810 76 HZ1 LYS 8 1HZ LYS 8 -6.408 -7.928 7.600 77 HZ2 LYS 8 2HZ LYS 8 -5.658 -6.793 6.596 78 HZ3 LYS 8 3HZ LYS 8 -4.805 -7.471 7.890 79 H ILE 9 H ILE 9 -1.972 -10.777 6.448 80 HA ILE 9 HA ILE 9 -4.014 -11.278 8.369 81 HB ILE 9 HB ILE 9 -4.306 -13.362 7.370 82 HG12 ILE 9 2HG1 ILE 9 -2.301 -14.128 5.756 83 HG13 ILE 9 3HG1 ILE 9 -1.368 -13.220 6.941 84 HG21 ILE 9 1HG2 ILE 9 -4.749 -12.730 5.260 85 HG22 ILE 9 2HG2 ILE 9 -4.161 -11.159 5.799 86 HG23 ILE 9 3HG2 ILE 9 -3.080 -12.257 4.942 87 HD11 ILE 9 1HD1 ILE 9 -2.787 -15.786 7.205 88 HD12 ILE 9 2HD1 ILE 9 -1.297 -15.222 7.962 89 HD13 ILE 9 3HD1 ILE 9 -2.859 -14.703 8.595 90 H THR 10 H THR 10 -0.587 -11.824 8.264 91 HA THR 10 HA THR 10 -0.600 -13.703 10.465 92 HB THR 10 HB THR 10 1.914 -13.414 10.337 93 HG1 THR 10 HG1 THR 10 1.571 -11.281 9.178 94 HG21 THR 10 1HG2 THR 10 0.805 -15.272 9.231 95 HG22 THR 10 2HG2 THR 10 2.114 -14.665 8.217 96 HG23 THR 10 3HG2 THR 10 0.442 -14.254 7.837 97 H LYS 11 H LYS 11 -0.693 -13.131 12.527 98 HA LYS 11 HA LYS 11 -0.193 -10.355 13.275 99 HB2 LYS 11 2HB LYS 11 -1.230 -10.974 15.423 100 HB3 LYS 11 3HB LYS 11 -2.271 -11.349 14.056 101 HG2 LYS 11 2HG LYS 11 -2.511 -13.335 15.043 102 HG3 LYS 11 3HG LYS 11 -0.917 -13.691 14.373 103 HD2 LYS 11 2HD LYS 11 0.159 -13.276 16.399 104 HD3 LYS 11 3HD LYS 11 -1.200 -12.350 17.040 105 HE2 LYS 11 2HE LYS 11 -2.499 -14.319 17.346 106 HE3 LYS 11 3HE LYS 11 -1.349 -15.296 16.435 107 HZ1 LYS 11 1HZ LYS 11 0.299 -14.828 18.194 108 HZ2 LYS 11 2HZ LYS 11 -1.039 -15.696 18.755 109 HZ3 LYS 11 3HZ LYS 11 -0.903 -14.044 19.089 110 H LYS 12 H LYS 12 1.871 -12.561 12.701 111 HA LYS 12 HA LYS 12 3.306 -12.480 15.264 112 HB2 LYS 12 2HB LYS 12 4.503 -14.078 13.126 113 HB3 LYS 12 3HB LYS 12 4.141 -14.516 14.790 114 HG2 LYS 12 2HG LYS 12 1.710 -14.691 14.033 115 HG3 LYS 12 3HG LYS 12 2.352 -14.653 12.389 116 HD2 LYS 12 2HD LYS 12 2.244 -16.924 12.811 117 HD3 LYS 12 3HD LYS 12 3.915 -16.552 13.243 118 HE2 LYS 12 2HE LYS 12 3.497 -17.498 15.215 119 HE3 LYS 12 3HE LYS 12 2.491 -16.096 15.577 120 HZ1 LYS 12 1HZ LYS 12 1.220 -18.183 14.014 121 HZ2 LYS 12 2HZ LYS 12 0.609 -17.265 15.296 122 HZ3 LYS 12 3HZ LYS 12 1.597 -18.602 15.609 123 H ASN 13 H ASN 13 4.343 -12.557 11.855 124 HA ASN 13 HA ASN 13 6.712 -11.121 12.299 125 HB2 ASN 13 2HB ASN 13 5.327 -12.272 10.056 126 HB3 ASN 13 3HB ASN 13 5.923 -10.672 9.623 127 HD21 ASN 13 1HD2 ASN 13 8.247 -10.317 10.579 128 HD22 ASN 13 2HD2 ASN 13 9.363 -11.583 10.208 129 H MET 14 H MET 14 3.471 -10.072 12.047 130 HA MET 14 HA MET 14 4.000 -7.420 11.110 131 HB2 MET 14 2HB MET 14 1.792 -8.650 10.931 132 HB3 MET 14 3HB MET 14 1.576 -8.349 12.650 133 HG2 MET 14 2HG MET 14 0.608 -6.440 12.094 134 HG3 MET 14 3HG MET 14 2.198 -5.865 11.598 135 HE1 MET 14 1HE MET 14 1.213 -4.622 8.291 136 HE2 MET 14 2HE MET 14 0.607 -4.124 9.870 137 HE3 MET 14 3HE MET 14 2.298 -4.590 9.681 138 H ALA 15 H ALA 15 3.088 -8.738 14.297 139 HA ALA 15 HA ALA 15 3.196 -6.442 15.800 140 HB1 ALA 15 1HB ALA 15 3.623 -7.845 17.727 141 HB2 ALA 15 2HB ALA 15 2.473 -8.636 16.649 142 HB3 ALA 15 3HB ALA 15 4.156 -9.162 16.682 143 H HIS 16 H HIS 16 5.818 -8.181 14.362 144 HA HIS 16 HA HIS 16 7.951 -7.362 15.969 145 HB2 HIS 16 2HB HIS 16 7.604 -8.624 13.412 146 HB3 HIS 16 3HB HIS 16 8.873 -7.408 13.296 147 HD1 HIS 16 HD1 HIS 16 9.101 -10.661 13.341 148 HD2 HIS 16 HD2 HIS 16 10.149 -7.976 16.333 149 HE1 HIS 16 HE1 HIS 16 10.801 -11.859 14.754 150 H ILE 17 H ILE 17 5.973 -5.568 13.831 151 HA ILE 17 HA ILE 17 7.803 -3.513 13.137 152 HB ILE 17 HB ILE 17 5.905 -2.246 12.395 153 HG12 ILE 17 2HG1 ILE 17 4.318 -4.177 14.083 154 HG13 ILE 17 3HG1 ILE 17 4.380 -2.423 14.211 155 HG21 ILE 17 1HG2 ILE 17 5.649 -3.586 10.641 156 HG22 ILE 17 2HG2 ILE 17 6.482 -4.843 11.554 157 HG23 ILE 17 3HG2 ILE 17 4.722 -4.745 11.592 158 HD11 ILE 17 1HD1 ILE 17 2.887 -4.135 12.298 159 HD12 ILE 17 2HD1 ILE 17 2.359 -2.711 13.196 160 HD13 ILE 17 3HD1 ILE 17 3.401 -2.529 11.785 161 H ARG 18 H ARG 18 5.489 -3.924 15.775 162 HA ARG 18 HA ARG 18 6.118 -1.320 16.883 163 HB2 ARG 18 2HB ARG 18 3.835 -2.620 16.933 164 HB3 ARG 18 3HB ARG 18 4.535 -3.394 18.348 165 HG2 ARG 18 2HG ARG 18 4.541 -1.446 19.580 166 HG3 ARG 18 3HG ARG 18 4.518 -0.418 18.145 167 HD2 ARG 18 2HD ARG 18 2.305 -0.281 18.260 168 HD3 ARG 18 3HD ARG 18 2.178 -2.035 18.134 169 HE ARG 18 HE ARG 18 1.705 -2.105 20.363 170 HH11 ARG 18 1HH1 ARG 18 3.265 0.924 19.650 171 HH12 ARG 18 2HH1 ARG 18 3.047 1.561 21.247 172 HH21 ARG 18 1HH2 ARG 18 1.413 -1.278 22.469 173 HH22 ARG 18 2HH2 ARG 18 1.994 0.307 22.849 174 H CYS 19 H CYS 19 5.999 -4.504 18.471 175 HA CYS 19 HA CYS 19 7.326 -5.467 20.045 176 HB2 CYS 19 2HB CYS 19 8.936 -5.268 18.077 177 HB3 CYS 19 3HB CYS 19 9.598 -3.854 18.889 178 HG CYS 19 HG CYS 19 10.274 -5.354 21.224 Start of MODEL 3 1 H1 PHE 1 H PHE 1 1.807 0.001 0.856 2 HA PHE 1 HA PHE 1 1.475 0.435 -2.011 3 HB2 PHE 1 2HB PHE 1 3.438 1.177 -0.062 4 HB3 PHE 1 3HB PHE 1 4.220 0.235 -1.327 5 HD1 PHE 1 HD1 PHE 1 1.770 3.025 -0.968 6 HD2 PHE 1 HD2 PHE 1 5.009 1.355 -3.167 7 HE1 PHE 1 HE1 PHE 1 1.809 5.015 -2.415 8 HE2 PHE 1 HE2 PHE 1 5.054 3.342 -4.617 9 HZ PHE 1 HZ PHE 1 3.453 5.176 -4.242 10 H LEU 2 H LEU 2 3.382 -1.721 0.096 11 HA LEU 2 HA LEU 2 3.788 -3.580 -2.085 12 HB2 LEU 2 2HB LEU 2 4.946 -3.082 0.526 13 HB3 LEU 2 3HB LEU 2 4.657 -4.798 0.250 14 HG LEU 2 HG LEU 2 5.912 -4.350 -2.000 15 HD11 LEU 2 1HD1 LEU 2 7.195 -2.228 -0.309 16 HD12 LEU 2 2HD1 LEU 2 5.942 -1.855 -1.492 17 HD13 LEU 2 3HD1 LEU 2 7.457 -2.589 -2.016 18 HD21 LEU 2 1HD2 LEU 2 7.375 -5.667 -0.982 19 HD22 LEU 2 2HD2 LEU 2 6.664 -5.246 0.576 20 HD23 LEU 2 3HD2 LEU 2 8.002 -4.294 -0.069 21 HA PRO 3 HA PRO 3 0.545 -6.411 -1.239 22 HB2 PRO 3 2HB PRO 3 1.753 -8.815 -1.601 23 HB3 PRO 3 3HB PRO 3 1.371 -7.721 -2.936 24 HG2 PRO 3 2HG PRO 3 3.974 -8.144 -1.520 25 HG3 PRO 3 3HG PRO 3 3.661 -7.967 -3.256 26 HD2 PRO 3 2HD PRO 3 4.586 -5.932 -1.728 27 HD3 PRO 3 3HD PRO 3 3.523 -5.670 -3.125 28 H LYS 4 H LYS 4 -0.387 -7.523 0.420 29 HA LYS 4 HA LYS 4 1.347 -8.213 2.701 30 HB2 LYS 4 2HB LYS 4 -1.079 -7.869 3.860 31 HB3 LYS 4 3HB LYS 4 0.142 -6.608 3.740 32 HG2 LYS 4 2HG LYS 4 -0.968 -5.501 2.060 33 HG3 LYS 4 3HG LYS 4 -1.825 -6.949 1.526 34 HD2 LYS 4 2HD LYS 4 -3.348 -5.396 2.627 35 HD3 LYS 4 3HD LYS 4 -3.190 -6.885 3.562 36 HE2 LYS 4 2HE LYS 4 -2.252 -5.829 5.309 37 HE3 LYS 4 3HE LYS 4 -1.264 -4.795 4.279 38 HZ1 LYS 4 1HZ LYS 4 -3.028 -3.292 3.999 39 HZ2 LYS 4 2HZ LYS 4 -3.020 -3.654 5.651 40 HZ3 LYS 4 3HZ LYS 4 -4.172 -4.364 4.636 41 H LEU 5 H LEU 5 0.699 -9.993 0.569 42 HA LEU 5 HA LEU 5 -1.418 -11.674 0.818 43 HB2 LEU 5 2HB LEU 5 1.121 -11.783 -0.363 44 HB3 LEU 5 3HB LEU 5 0.973 -13.260 0.588 45 HG LEU 5 HG LEU 5 -1.323 -12.607 -1.150 46 HD11 LEU 5 1HD1 LEU 5 0.416 -13.971 -2.843 47 HD12 LEU 5 2HD1 LEU 5 1.366 -12.639 -2.186 48 HD13 LEU 5 3HD1 LEU 5 -0.156 -12.312 -3.015 49 HD21 LEU 5 1HD2 LEU 5 0.077 -15.208 -1.195 50 HD22 LEU 5 2HD2 LEU 5 -1.647 -14.845 -1.109 51 HD23 LEU 5 3HD2 LEU 5 -0.648 -14.728 0.340 52 H PHE 6 H PHE 6 1.425 -11.558 2.897 53 HA PHE 6 HA PHE 6 0.070 -13.427 4.728 54 HB2 PHE 6 2HB PHE 6 2.382 -14.016 3.489 55 HB3 PHE 6 3HB PHE 6 3.022 -13.160 4.888 56 HD1 PHE 6 HD1 PHE 6 3.334 -14.285 6.884 57 HD2 PHE 6 HD2 PHE 6 0.697 -15.912 3.966 58 HE1 PHE 6 HE1 PHE 6 3.095 -16.324 8.241 59 HE2 PHE 6 HE2 PHE 6 0.453 -17.953 5.319 60 HZ PHE 6 HZ PHE 6 1.652 -18.160 7.460 61 H ALA 7 H ALA 7 1.189 -10.314 4.260 62 HA ALA 7 HA ALA 7 2.074 -9.691 6.898 63 HB1 ALA 7 1HB ALA 7 0.977 -7.475 5.331 64 HB2 ALA 7 2HB ALA 7 2.576 -7.680 6.048 65 HB3 ALA 7 3HB ALA 7 2.208 -8.420 4.491 66 H LYS 8 H LYS 8 -1.021 -9.829 5.318 67 HA LYS 8 HA LYS 8 -2.363 -8.401 7.466 68 HB2 LYS 8 2HB LYS 8 -4.413 -8.824 6.140 69 HB3 LYS 8 3HB LYS 8 -3.159 -8.009 5.214 70 HG2 LYS 8 2HG LYS 8 -3.170 -9.611 3.689 71 HG3 LYS 8 3HG LYS 8 -2.897 -10.848 4.918 72 HD2 LYS 8 2HD LYS 8 -4.940 -11.383 3.811 73 HD3 LYS 8 3HD LYS 8 -5.356 -10.766 5.412 74 HE2 LYS 8 2HE LYS 8 -6.368 -8.928 4.580 75 HE3 LYS 8 3HE LYS 8 -5.196 -8.746 3.276 76 HZ1 LYS 8 1HZ LYS 8 -6.366 -10.833 2.337 77 HZ2 LYS 8 2HZ LYS 8 -7.102 -9.321 2.153 78 HZ3 LYS 8 3HZ LYS 8 -7.640 -10.383 3.355 79 H ILE 9 H ILE 9 -1.896 -11.678 6.323 80 HA ILE 9 HA ILE 9 -3.867 -12.861 8.020 81 HB ILE 9 HB ILE 9 -3.159 -14.931 7.236 82 HG12 ILE 9 2HG1 ILE 9 -0.777 -14.928 6.004 83 HG13 ILE 9 3HG1 ILE 9 -0.479 -13.645 7.171 84 HG21 ILE 9 1HG2 ILE 9 -2.072 -13.549 4.879 85 HG22 ILE 9 2HG2 ILE 9 -3.429 -14.666 5.017 86 HG23 ILE 9 3HG2 ILE 9 -3.638 -12.967 5.443 87 HD11 ILE 9 1HD1 ILE 9 0.132 -15.302 8.529 88 HD12 ILE 9 2HD1 ILE 9 -1.599 -15.582 8.728 89 HD13 ILE 9 3HD1 ILE 9 -0.682 -16.527 7.555 90 H THR 10 H THR 10 -0.540 -11.944 8.379 91 HA THR 10 HA THR 10 -0.141 -13.524 10.773 92 HB THR 10 HB THR 10 2.041 -12.238 10.897 93 HG1 THR 10 HG1 THR 10 1.086 -10.508 9.469 94 HG21 THR 10 1HG2 THR 10 3.055 -13.456 9.023 95 HG22 THR 10 2HG2 THR 10 1.451 -13.755 8.353 96 HG23 THR 10 3HG2 THR 10 1.907 -14.465 9.901 97 H LYS 11 H LYS 11 -0.789 -12.909 12.719 98 HA LYS 11 HA LYS 11 -1.063 -10.026 13.270 99 HB2 LYS 11 2HB LYS 11 -2.851 -10.739 14.923 100 HB3 LYS 11 3HB LYS 11 -3.268 -10.887 13.221 101 HG2 LYS 11 2HG LYS 11 -2.116 -13.250 14.611 102 HG3 LYS 11 3HG LYS 11 -3.795 -12.808 14.929 103 HD2 LYS 11 2HD LYS 11 -3.934 -12.687 12.313 104 HD3 LYS 11 3HD LYS 11 -2.520 -13.739 12.396 105 HE2 LYS 11 2HE LYS 11 -4.147 -14.950 14.182 106 HE3 LYS 11 3HE LYS 11 -5.337 -14.284 13.066 107 HZ1 LYS 11 1HZ LYS 11 -3.787 -16.575 12.747 108 HZ2 LYS 11 2HZ LYS 11 -3.253 -15.460 11.593 109 HZ3 LYS 11 3HZ LYS 11 -4.885 -15.903 11.648 110 H LYS 12 H LYS 12 1.094 -12.159 13.750 111 HA LYS 12 HA LYS 12 1.391 -11.670 16.642 112 HB2 LYS 12 2HB LYS 12 3.049 -13.764 16.225 113 HB3 LYS 12 3HB LYS 12 1.375 -13.931 16.736 114 HG2 LYS 12 2HG LYS 12 0.665 -14.611 14.653 115 HG3 LYS 12 3HG LYS 12 2.030 -13.858 13.826 116 HD2 LYS 12 2HD LYS 12 2.353 -16.225 13.763 117 HD3 LYS 12 3HD LYS 12 3.516 -15.555 14.910 118 HE2 LYS 12 2HE LYS 12 2.759 -17.145 16.297 119 HE3 LYS 12 3HE LYS 12 1.376 -16.074 16.520 120 HZ1 LYS 12 1HZ LYS 12 0.559 -17.356 14.385 121 HZ2 LYS 12 2HZ LYS 12 0.302 -17.969 15.940 122 HZ3 LYS 12 3HZ LYS 12 1.577 -18.561 14.998 123 H ASN 13 H ASN 13 3.655 -12.863 14.184 124 HA ASN 13 HA ASN 13 5.889 -11.545 15.112 125 HB2 ASN 13 2HB ASN 13 5.172 -13.036 12.773 126 HB3 ASN 13 3HB ASN 13 6.111 -11.630 12.283 127 HD21 ASN 13 1HD2 ASN 13 8.250 -11.510 12.789 128 HD22 ASN 13 2HD2 ASN 13 9.132 -12.808 13.513 129 H MET 14 H MET 14 3.270 -10.313 13.179 130 HA MET 14 HA MET 14 4.484 -8.028 12.111 131 HB2 MET 14 2HB MET 14 2.215 -8.954 11.519 132 HB3 MET 14 3HB MET 14 1.608 -8.241 13.007 133 HG2 MET 14 2HG MET 14 1.208 -6.392 11.866 134 HG3 MET 14 3HG MET 14 2.951 -6.173 11.723 135 HE1 MET 14 1HE MET 14 4.310 -7.550 9.980 136 HE2 MET 14 2HE MET 14 3.358 -8.987 9.607 137 HE3 MET 14 3HE MET 14 3.760 -7.839 8.329 138 H ALA 15 H ALA 15 2.563 -8.368 15.096 139 HA ALA 15 HA ALA 15 3.145 -5.698 15.957 140 HB1 ALA 15 1HB ALA 15 2.243 -6.925 18.196 141 HB2 ALA 15 2HB ALA 15 1.202 -6.245 16.945 142 HB3 ALA 15 3HB ALA 15 1.568 -7.970 16.946 143 H HIS 16 H HIS 16 5.077 -8.319 15.758 144 HA HIS 16 HA HIS 16 6.519 -7.755 18.255 145 HB2 HIS 16 2HB HIS 16 5.982 -10.165 16.783 146 HB3 HIS 16 3HB HIS 16 7.723 -9.928 16.911 147 HD1 HIS 16 HD1 HIS 16 5.206 -11.647 18.586 148 HD2 HIS 16 HD2 HIS 16 8.244 -9.125 19.877 149 HE1 HIS 16 HE1 HIS 16 5.540 -12.187 21.019 150 H ILE 17 H ILE 17 6.620 -7.275 14.883 151 HA ILE 17 HA ILE 17 9.314 -7.251 14.273 152 HB ILE 17 HB ILE 17 8.824 -5.707 12.497 153 HG12 ILE 17 2HG1 ILE 17 6.412 -5.058 14.168 154 HG13 ILE 17 3HG1 ILE 17 7.603 -3.962 13.477 155 HG21 ILE 17 1HG2 ILE 17 7.238 -6.955 11.328 156 HG22 ILE 17 2HG2 ILE 17 7.865 -8.088 12.524 157 HG23 ILE 17 3HG2 ILE 17 6.306 -7.307 12.783 158 HD11 ILE 17 1HD1 ILE 17 6.709 -4.539 11.225 159 HD12 ILE 17 2HD1 ILE 17 5.425 -5.440 12.030 160 HD13 ILE 17 3HD1 ILE 17 5.570 -3.700 12.277 161 H ARG 18 H ARG 18 7.384 -4.768 15.880 162 HA ARG 18 HA ARG 18 9.841 -3.215 16.338 163 HB2 ARG 18 2HB ARG 18 7.681 -2.235 15.209 164 HB3 ARG 18 3HB ARG 18 7.106 -2.123 16.867 165 HG2 ARG 18 2HG ARG 18 8.671 -0.533 17.446 166 HG3 ARG 18 3HG ARG 18 9.773 -0.997 16.147 167 HD2 ARG 18 2HD ARG 18 7.784 -0.195 14.624 168 HD3 ARG 18 3HD ARG 18 7.343 0.726 16.061 169 HE ARG 18 HE ARG 18 10.011 1.234 15.661 170 HH11 ARG 18 1HH1 ARG 18 7.081 1.611 13.818 171 HH12 ARG 18 2HH1 ARG 18 7.656 2.991 12.942 172 HH21 ARG 18 1HH2 ARG 18 10.778 3.050 14.514 173 HH22 ARG 18 2HH2 ARG 18 9.759 3.808 13.338 174 H CYS 19 H CYS 19 6.743 -3.465 18.073 175 HA CYS 19 HA CYS 19 6.249 -3.780 20.269 176 HB2 CYS 19 2HB CYS 19 7.935 -5.831 19.592 177 HB3 CYS 19 3HB CYS 19 8.762 -5.131 20.978 178 HG CYS 19 HG CYS 19 6.945 -5.719 22.829 Start of MODEL 4 1 H1 PHE 1 H PHE 1 2.883 0.661 0.373 2 HA PHE 1 HA PHE 1 1.934 0.115 -2.024 3 HB2 PHE 1 2HB PHE 1 4.750 0.486 -1.127 4 HB3 PHE 1 3HB PHE 1 4.482 0.001 -2.798 5 HD1 PHE 1 HD1 PHE 1 3.449 1.494 -4.377 6 HD2 PHE 1 HD2 PHE 1 4.008 2.649 -0.319 7 HE1 PHE 1 HE1 PHE 1 2.988 3.834 -4.983 8 HE2 PHE 1 HE2 PHE 1 3.547 4.990 -0.918 9 HZ PHE 1 HZ PHE 1 3.035 5.585 -3.252 10 H LEU 2 H LEU 2 4.229 -2.056 -0.399 11 HA LEU 2 HA LEU 2 4.164 -4.019 -2.468 12 HB2 LEU 2 2HB LEU 2 5.349 -3.762 0.224 13 HB3 LEU 2 3HB LEU 2 5.053 -5.405 -0.341 14 HG LEU 2 HG LEU 2 6.337 -4.341 -2.485 15 HD11 LEU 2 1HD1 LEU 2 8.392 -3.324 -1.078 16 HD12 LEU 2 2HD1 LEU 2 7.036 -2.731 -0.120 17 HD13 LEU 2 3HD1 LEU 2 7.140 -2.340 -1.836 18 HD21 LEU 2 1HD2 LEU 2 6.717 -6.407 -0.849 19 HD22 LEU 2 2HD2 LEU 2 8.053 -5.390 -0.309 20 HD23 LEU 2 3HD2 LEU 2 7.941 -5.874 -2.001 21 HA PRO 3 HA PRO 3 0.635 -6.414 -1.443 22 HB2 PRO 3 2HB PRO 3 1.520 -8.954 -1.810 23 HB3 PRO 3 3HB PRO 3 1.221 -7.839 -3.148 24 HG2 PRO 3 2HG PRO 3 3.809 -8.563 -1.829 25 HG3 PRO 3 3HG PRO 3 3.448 -8.371 -3.555 26 HD2 PRO 3 2HD PRO 3 4.680 -6.447 -2.101 27 HD3 PRO 3 3HD PRO 3 3.600 -6.073 -3.459 28 H LYS 4 H LYS 4 -0.349 -7.618 0.183 29 HA LYS 4 HA LYS 4 1.373 -8.292 2.479 30 HB2 LYS 4 2HB LYS 4 -1.055 -7.921 3.625 31 HB3 LYS 4 3HB LYS 4 0.173 -6.668 3.494 32 HG2 LYS 4 2HG LYS 4 -0.925 -5.574 1.799 33 HG3 LYS 4 3HG LYS 4 -1.788 -7.023 1.278 34 HD2 LYS 4 2HD LYS 4 -3.307 -5.451 2.356 35 HD3 LYS 4 3HD LYS 4 -3.159 -6.930 3.308 36 HE2 LYS 4 2HE LYS 4 -2.428 -5.789 5.070 37 HE3 LYS 4 3HE LYS 4 -1.163 -5.024 4.110 38 HZ1 LYS 4 1HZ LYS 4 -3.974 -4.096 4.351 39 HZ2 LYS 4 2HZ LYS 4 -2.794 -3.378 3.376 40 HZ3 LYS 4 3HZ LYS 4 -2.620 -3.370 5.059 41 H LEU 5 H LEU 5 0.722 -10.092 0.364 42 HA LEU 5 HA LEU 5 -1.405 -11.759 0.624 43 HB2 LEU 5 2HB LEU 5 1.375 -12.069 -0.232 44 HB3 LEU 5 3HB LEU 5 0.620 -13.570 0.299 45 HG LEU 5 HG LEU 5 0.503 -13.172 -2.154 46 HD11 LEU 5 1HD1 LEU 5 -1.278 -14.360 -0.570 47 HD12 LEU 5 2HD1 LEU 5 -1.495 -14.230 -2.315 48 HD13 LEU 5 3HD1 LEU 5 -2.311 -13.096 -1.238 49 HD21 LEU 5 1HD2 LEU 5 0.243 -10.762 -2.150 50 HD22 LEU 5 2HD2 LEU 5 -1.313 -10.907 -1.332 51 HD23 LEU 5 3HD2 LEU 5 -1.120 -11.517 -2.976 52 H PHE 6 H PHE 6 1.430 -11.635 2.712 53 HA PHE 6 HA PHE 6 0.057 -13.475 4.559 54 HB2 PHE 6 2HB PHE 6 2.371 -14.092 3.336 55 HB3 PHE 6 3HB PHE 6 3.010 -13.225 4.728 56 HD1 PHE 6 HD1 PHE 6 3.307 -14.331 6.737 57 HD2 PHE 6 HD2 PHE 6 0.672 -15.973 3.825 58 HE1 PHE 6 HE1 PHE 6 3.050 -16.354 8.114 59 HE2 PHE 6 HE2 PHE 6 0.410 -17.997 5.198 60 HZ PHE 6 HZ PHE 6 1.599 -18.189 7.346 61 H ALA 7 H ALA 7 1.197 -10.375 4.060 62 HA ALA 7 HA ALA 7 2.077 -9.727 6.694 63 HB1 ALA 7 1HB ALA 7 0.998 -7.524 5.097 64 HB2 ALA 7 2HB ALA 7 2.592 -7.728 5.823 65 HB3 ALA 7 3HB ALA 7 2.226 -8.484 4.273 66 H LYS 8 H LYS 8 -1.014 -9.864 5.106 67 HA LYS 8 HA LYS 8 -2.354 -8.405 7.234 68 HB2 LYS 8 2HB LYS 8 -4.402 -8.830 5.906 69 HB3 LYS 8 3HB LYS 8 -3.141 -8.032 4.976 70 HG2 LYS 8 2HG LYS 8 -3.155 -9.650 3.467 71 HG3 LYS 8 3HG LYS 8 -2.896 -10.876 4.711 72 HD2 LYS 8 2HD LYS 8 -5.083 -11.429 4.802 73 HD3 LYS 8 3HD LYS 8 -5.620 -9.763 4.577 74 HE2 LYS 8 2HE LYS 8 -4.336 -10.735 2.195 75 HE3 LYS 8 3HE LYS 8 -5.621 -11.835 2.688 76 HZ1 LYS 8 1HZ LYS 8 -6.137 -9.796 1.180 77 HZ2 LYS 8 2HZ LYS 8 -6.159 -8.950 2.644 78 HZ3 LYS 8 3HZ LYS 8 -7.220 -10.245 2.399 79 H ILE 9 H ILE 9 -1.904 -11.697 6.127 80 HA ILE 9 HA ILE 9 -3.887 -12.849 7.830 81 HB ILE 9 HB ILE 9 -3.189 -14.932 7.071 82 HG12 ILE 9 2HG1 ILE 9 -0.803 -14.957 5.846 83 HG13 ILE 9 3HG1 ILE 9 -0.501 -13.663 7.001 84 HG21 ILE 9 1HG2 ILE 9 -3.651 -12.985 5.256 85 HG22 ILE 9 2HG2 ILE 9 -2.087 -13.580 4.703 86 HG23 ILE 9 3HG2 ILE 9 -3.451 -14.689 4.848 87 HD11 ILE 9 1HD1 ILE 9 -1.627 -15.561 8.587 88 HD12 ILE 9 2HD1 ILE 9 -0.740 -16.541 7.419 89 HD13 ILE 9 3HD1 ILE 9 0.105 -15.317 8.366 90 H THR 10 H THR 10 -0.556 -11.949 8.191 91 HA THR 10 HA THR 10 -0.173 -13.506 10.602 92 HB THR 10 HB THR 10 2.014 -12.229 10.721 93 HG1 THR 10 HG1 THR 10 2.575 -11.109 8.780 94 HG21 THR 10 1HG2 THR 10 1.876 -14.466 9.748 95 HG22 THR 10 2HG2 THR 10 3.028 -13.469 8.858 96 HG23 THR 10 3HG2 THR 10 1.423 -13.772 8.192 97 H LYS 11 H LYS 11 -0.823 -12.870 12.540 98 HA LYS 11 HA LYS 11 -1.087 -9.980 13.061 99 HB2 LYS 11 2HB LYS 11 -2.866 -10.723 14.750 100 HB3 LYS 11 3HB LYS 11 -3.296 -10.777 13.046 101 HG2 LYS 11 2HG LYS 11 -4.117 -12.769 13.974 102 HG3 LYS 11 3HG LYS 11 -2.653 -13.223 13.098 103 HD2 LYS 11 2HD LYS 11 -1.527 -13.758 14.992 104 HD3 LYS 11 3HD LYS 11 -2.309 -12.493 15.942 105 HE2 LYS 11 2HE LYS 11 -4.230 -14.476 15.138 106 HE3 LYS 11 3HE LYS 11 -2.867 -15.242 15.953 107 HZ1 LYS 11 1HZ LYS 11 -3.999 -14.687 17.789 108 HZ2 LYS 11 2HZ LYS 11 -4.906 -13.486 17.017 109 HZ3 LYS 11 3HZ LYS 11 -3.336 -13.148 17.550 110 H LYS 12 H LYS 12 1.070 -12.096 13.564 111 HA LYS 12 HA LYS 12 1.354 -11.595 16.455 112 HB2 LYS 12 2HB LYS 12 3.025 -13.682 16.052 113 HB3 LYS 12 3HB LYS 12 1.349 -13.855 16.557 114 HG2 LYS 12 2HG LYS 12 0.650 -14.547 14.474 115 HG3 LYS 12 3HG LYS 12 2.015 -13.791 13.650 116 HD2 LYS 12 2HD LYS 12 2.995 -15.791 13.626 117 HD3 LYS 12 3HD LYS 12 3.158 -15.658 15.378 118 HE2 LYS 12 2HE LYS 12 0.631 -16.674 14.124 119 HE3 LYS 12 3HE LYS 12 2.004 -17.744 14.398 120 HZ1 LYS 12 1HZ LYS 12 1.574 -17.836 16.566 121 HZ2 LYS 12 2HZ LYS 12 0.064 -17.165 16.204 122 HZ3 LYS 12 3HZ LYS 12 1.337 -16.166 16.698 123 H ASN 13 H ASN 13 3.634 -12.787 14.011 124 HA ASN 13 HA ASN 13 5.856 -11.451 14.942 125 HB2 ASN 13 2HB ASN 13 5.143 -12.932 12.580 126 HB3 ASN 13 3HB ASN 13 6.133 -11.546 12.133 127 HD21 ASN 13 1HD2 ASN 13 6.131 -13.661 14.977 128 HD22 ASN 13 2HD2 ASN 13 7.782 -14.148 14.828 129 H MET 14 H MET 14 3.237 -10.245 12.995 130 HA MET 14 HA MET 14 4.440 -7.962 11.912 131 HB2 MET 14 2HB MET 14 2.177 -8.903 11.326 132 HB3 MET 14 3HB MET 14 1.565 -8.181 12.808 133 HG2 MET 14 2HG MET 14 1.158 -6.342 11.655 134 HG3 MET 14 3HG MET 14 2.900 -6.117 11.510 135 HE1 MET 14 1HE MET 14 4.291 -7.395 9.718 136 HE2 MET 14 2HE MET 14 3.803 -7.224 8.031 137 HE3 MET 14 3HE MET 14 3.956 -5.795 9.055 138 H ALA 15 H ALA 15 2.521 -8.289 14.899 139 HA ALA 15 HA ALA 15 3.091 -5.610 15.741 140 HB1 ALA 15 1HB ALA 15 1.257 -7.602 16.457 141 HB2 ALA 15 2HB ALA 15 2.226 -7.297 17.899 142 HB3 ALA 15 3HB ALA 15 1.379 -5.968 17.108 143 H HIS 16 H HIS 16 5.034 -8.225 15.562 144 HA HIS 16 HA HIS 16 6.472 -7.636 18.055 145 HB2 HIS 16 2HB HIS 16 5.946 -10.060 16.600 146 HB3 HIS 16 3HB HIS 16 7.685 -9.815 16.728 147 HD1 HIS 16 HD1 HIS 16 4.825 -11.050 18.585 148 HD2 HIS 16 HD2 HIS 16 8.554 -9.472 19.516 149 HE1 HIS 16 HE1 HIS 16 5.249 -11.694 20.979 150 H ILE 17 H ILE 17 6.573 -7.181 14.680 151 HA ILE 17 HA ILE 17 9.267 -7.150 14.071 152 HB ILE 17 HB ILE 17 8.771 -5.622 12.283 153 HG12 ILE 17 2HG1 ILE 17 6.356 -4.970 13.949 154 HG13 ILE 17 3HG1 ILE 17 7.542 -3.874 13.251 155 HG21 ILE 17 1HG2 ILE 17 7.191 -6.884 11.123 156 HG22 ILE 17 2HG2 ILE 17 7.822 -8.006 12.328 157 HG23 ILE 17 3HG2 ILE 17 6.259 -7.229 12.579 158 HD11 ILE 17 1HD1 ILE 17 6.652 -4.471 11.002 159 HD12 ILE 17 2HD1 ILE 17 5.371 -5.372 11.813 160 HD13 ILE 17 3HD1 ILE 17 5.509 -3.630 12.048 161 H ARG 18 H ARG 18 7.326 -4.664 15.659 162 HA ARG 18 HA ARG 18 9.351 -2.680 15.710 163 HB2 ARG 18 2HB ARG 18 6.762 -2.518 16.128 164 HB3 ARG 18 3HB ARG 18 7.215 -2.816 17.801 165 HG2 ARG 18 2HG ARG 18 8.330 -0.808 17.998 166 HG3 ARG 18 3HG ARG 18 8.585 -0.661 16.258 167 HD2 ARG 18 2HD ARG 18 6.026 -0.468 16.111 168 HD3 ARG 18 3HD ARG 18 6.090 -0.160 17.846 169 HE ARG 18 HE ARG 18 7.909 1.548 16.592 170 HH11 ARG 18 1HH1 ARG 18 4.473 1.017 16.767 171 HH12 ARG 18 2HH1 ARG 18 4.070 2.677 16.476 172 HH21 ARG 18 1HH2 ARG 18 7.392 3.736 16.208 173 HH22 ARG 18 2HH2 ARG 18 5.731 4.222 16.157 174 H CYS 19 H CYS 19 7.975 -4.310 18.559 175 HA CYS 19 HA CYS 19 8.908 -5.001 20.514 176 HB2 CYS 19 2HB CYS 19 10.141 -6.463 18.805 177 HB3 CYS 19 3HB CYS 19 11.497 -5.362 19.016 178 HG CYS 19 HG CYS 19 10.082 -7.081 21.611 Start of MODEL 5 1 H1 PHE 1 H PHE 1 6.378 -2.998 -6.580 2 HA PHE 1 HA PHE 1 5.076 -2.147 -4.920 3 HB2 PHE 1 2HB PHE 1 3.312 -3.782 -6.482 4 HB3 PHE 1 3HB PHE 1 2.872 -3.921 -4.783 5 HD1 PHE 1 HD1 PHE 1 3.035 -1.728 -7.679 6 HD2 PHE 1 HD2 PHE 1 2.138 -1.963 -3.525 7 HE1 PHE 1 HE1 PHE 1 1.866 0.433 -7.812 8 HE2 PHE 1 HE2 PHE 1 0.967 0.197 -3.652 9 HZ PHE 1 HZ PHE 1 0.829 1.397 -5.798 10 H LEU 2 H LEU 2 4.199 -2.634 -2.738 11 HA LEU 2 HA LEU 2 5.277 -5.150 -1.654 12 HB2 LEU 2 2HB LEU 2 5.769 -2.347 -0.824 13 HB3 LEU 2 3HB LEU 2 5.592 -3.548 0.453 14 HG LEU 2 HG LEU 2 7.943 -3.114 -0.136 15 HD11 LEU 2 1HD1 LEU 2 6.938 -5.877 -0.800 16 HD12 LEU 2 2HD1 LEU 2 7.344 -5.261 0.802 17 HD13 LEU 2 3HD1 LEU 2 8.609 -5.466 -0.410 18 HD21 LEU 2 1HD2 LEU 2 7.119 -2.935 -2.692 19 HD22 LEU 2 2HD2 LEU 2 7.729 -4.590 -2.679 20 HD23 LEU 2 3HD2 LEU 2 8.788 -3.255 -2.222 21 HA PRO 3 HA PRO 3 0.810 -4.598 -0.486 22 HB2 PRO 3 2HB PRO 3 0.083 -7.133 -1.129 23 HB3 PRO 3 3HB PRO 3 0.097 -5.811 -2.302 24 HG2 PRO 3 2HG PRO 3 2.137 -7.952 -1.838 25 HG3 PRO 3 3HG PRO 3 1.513 -7.315 -3.371 26 HD2 PRO 3 2HD PRO 3 3.898 -6.554 -2.340 27 HD3 PRO 3 3HD PRO 3 2.881 -5.462 -3.303 28 H LYS 4 H LYS 4 -0.488 -6.389 0.846 29 HA LYS 4 HA LYS 4 1.347 -7.392 2.924 30 HB2 LYS 4 2HB LYS 4 -1.000 -7.127 4.255 31 HB3 LYS 4 3HB LYS 4 0.254 -5.894 4.215 32 HG2 LYS 4 2HG LYS 4 -0.908 -4.564 2.744 33 HG3 LYS 4 3HG LYS 4 -1.843 -5.913 2.096 34 HD2 LYS 4 2HD LYS 4 -3.246 -4.460 3.461 35 HD3 LYS 4 3HD LYS 4 -3.089 -6.055 4.202 36 HE2 LYS 4 2HE LYS 4 -1.465 -5.222 5.769 37 HE3 LYS 4 3HE LYS 4 -1.427 -3.656 4.960 38 HZ1 LYS 4 1HZ LYS 4 -3.723 -4.830 6.431 39 HZ2 LYS 4 2HZ LYS 4 -3.785 -3.382 5.559 40 HZ3 LYS 4 3HZ LYS 4 -2.781 -3.511 6.915 41 H LEU 5 H LEU 5 0.525 -8.887 0.639 42 HA LEU 5 HA LEU 5 -1.627 -10.532 0.809 43 HB2 LEU 5 2HB LEU 5 0.725 -10.524 -0.612 44 HB3 LEU 5 3HB LEU 5 0.814 -12.041 0.280 45 HG LEU 5 HG LEU 5 -1.677 -11.427 -1.233 46 HD11 LEU 5 1HD1 LEU 5 -0.105 -10.893 -2.912 47 HD12 LEU 5 2HD1 LEU 5 -0.604 -12.556 -3.220 48 HD13 LEU 5 3HD1 LEU 5 0.950 -12.230 -2.454 49 HD21 LEU 5 1HD2 LEU 5 -2.105 -13.565 -0.808 50 HD22 LEU 5 2HD2 LEU 5 -0.674 -13.582 0.223 51 HD23 LEU 5 3HD2 LEU 5 -0.548 -14.070 -1.468 52 H PHE 6 H PHE 6 1.327 -10.742 2.720 53 HA PHE 6 HA PHE 6 0.006 -12.772 4.398 54 HB2 PHE 6 2HB PHE 6 2.228 -13.275 2.965 55 HB3 PHE 6 3HB PHE 6 2.968 -12.621 4.422 56 HD1 PHE 6 HD1 PHE 6 3.340 -13.997 6.242 57 HD2 PHE 6 HD2 PHE 6 0.495 -15.161 3.297 58 HE1 PHE 6 HE1 PHE 6 3.092 -16.180 7.349 59 HE2 PHE 6 HE2 PHE 6 0.242 -17.345 4.401 60 HZ PHE 6 HZ PHE 6 1.541 -17.857 6.429 61 H ALA 7 H ALA 7 1.207 -9.661 4.230 62 HA ALA 7 HA ALA 7 2.261 -9.380 6.865 63 HB1 ALA 7 1HB ALA 7 2.786 -7.299 6.227 64 HB2 ALA 7 2HB ALA 7 2.304 -7.838 4.618 65 HB3 ALA 7 3HB ALA 7 1.159 -6.964 5.635 66 H LYS 8 H LYS 8 -0.922 -9.247 5.470 67 HA LYS 8 HA LYS 8 -2.088 -8.046 7.847 68 HB2 LYS 8 2HB LYS 8 -4.223 -8.247 6.606 69 HB3 LYS 8 3HB LYS 8 -2.995 -7.361 5.711 70 HG2 LYS 8 2HG LYS 8 -3.149 -8.764 4.008 71 HG3 LYS 8 3HG LYS 8 -2.849 -10.148 5.061 72 HD2 LYS 8 2HD LYS 8 -4.950 -10.596 4.159 73 HD3 LYS 8 3HD LYS 8 -5.323 -9.896 5.735 74 HE2 LYS 8 2HE LYS 8 -6.470 -8.248 4.782 75 HE3 LYS 8 3HE LYS 8 -5.086 -7.814 3.779 76 HZ1 LYS 8 1HZ LYS 8 -7.233 -9.759 3.163 77 HZ2 LYS 8 2HZ LYS 8 -5.792 -9.684 2.281 78 HZ3 LYS 8 3HZ LYS 8 -6.832 -8.350 2.316 79 H ILE 9 H ILE 9 -1.809 -11.173 6.295 80 HA ILE 9 HA ILE 9 -3.723 -12.493 7.954 81 HB ILE 9 HB ILE 9 -3.130 -14.476 6.893 82 HG12 ILE 9 2HG1 ILE 9 -0.825 -14.389 5.526 83 HG13 ILE 9 3HG1 ILE 9 -0.417 -13.262 6.815 84 HG21 ILE 9 1HG2 ILE 9 -3.642 -12.296 5.377 85 HG22 ILE 9 2HG2 ILE 9 -2.136 -12.854 4.652 86 HG23 ILE 9 3HG2 ILE 9 -3.524 -13.938 4.743 87 HD11 ILE 9 1HD1 ILE 9 0.254 -15.126 7.861 88 HD12 ILE 9 2HD1 ILE 9 -1.458 -15.286 8.252 89 HD13 ILE 9 3HD1 ILE 9 -0.778 -16.172 6.888 90 H THR 10 H THR 10 -0.349 -11.728 8.223 91 HA THR 10 HA THR 10 0.120 -13.593 10.388 92 HB THR 10 HB THR 10 2.353 -12.404 10.533 93 HG1 THR 10 HG1 THR 10 1.517 -10.453 9.468 94 HG21 THR 10 1HG2 THR 10 3.213 -13.411 8.464 95 HG22 THR 10 2HG2 THR 10 1.563 -13.577 7.863 96 HG23 THR 10 3HG2 THR 10 2.080 -14.485 9.283 97 H LYS 11 H LYS 11 -0.375 -13.195 12.432 98 HA LYS 11 HA LYS 11 -0.542 -10.390 13.323 99 HB2 LYS 11 2HB LYS 11 -2.209 -11.300 15.029 100 HB3 LYS 11 3HB LYS 11 -2.759 -11.183 13.362 101 HG2 LYS 11 2HG LYS 11 -1.579 -13.750 14.286 102 HG3 LYS 11 3HG LYS 11 -3.211 -13.328 14.809 103 HD2 LYS 11 2HD LYS 11 -3.608 -12.831 12.289 104 HD3 LYS 11 3HD LYS 11 -2.176 -13.834 12.046 105 HE2 LYS 11 2HE LYS 11 -3.301 -15.717 12.475 106 HE3 LYS 11 3HE LYS 11 -4.084 -15.022 13.894 107 HZ1 LYS 11 1HZ LYS 11 -5.152 -15.453 11.315 108 HZ2 LYS 11 2HZ LYS 11 -5.228 -13.805 11.687 109 HZ3 LYS 11 3HZ LYS 11 -5.943 -14.939 12.719 110 H LYS 12 H LYS 12 1.570 -12.650 13.413 111 HA LYS 12 HA LYS 12 2.005 -12.682 16.319 112 HB2 LYS 12 2HB LYS 12 3.842 -14.270 14.688 113 HB3 LYS 12 3HB LYS 12 2.904 -14.734 16.103 114 HG2 LYS 12 2HG LYS 12 0.895 -14.808 14.531 115 HG3 LYS 12 3HG LYS 12 2.077 -14.755 13.221 116 HD2 LYS 12 2HD LYS 12 1.832 -17.023 13.477 117 HD3 LYS 12 3HD LYS 12 3.183 -16.720 14.573 118 HE2 LYS 12 2HE LYS 12 0.375 -16.602 15.591 119 HE3 LYS 12 3HE LYS 12 1.160 -18.163 15.360 120 HZ1 LYS 12 1HZ LYS 12 1.865 -15.996 17.225 121 HZ2 LYS 12 2HZ LYS 12 3.048 -17.096 16.725 122 HZ3 LYS 12 3HZ LYS 12 1.669 -17.648 17.534 123 H ASN 13 H ASN 13 4.178 -12.716 13.494 124 HA ASN 13 HA ASN 13 6.259 -11.352 14.804 125 HB2 ASN 13 2HB ASN 13 5.771 -12.461 12.195 126 HB3 ASN 13 3HB ASN 13 6.515 -10.873 12.031 127 HD21 ASN 13 1HD2 ASN 13 6.888 -13.479 14.407 128 HD22 ASN 13 2HD2 ASN 13 8.596 -13.643 14.212 129 H MET 14 H MET 14 3.357 -10.228 13.396 130 HA MET 14 HA MET 14 4.079 -7.667 12.539 131 HB2 MET 14 2HB MET 14 1.864 -8.819 12.183 132 HB3 MET 14 3HB MET 14 1.458 -8.407 13.843 133 HG2 MET 14 2HG MET 14 0.654 -6.490 13.098 134 HG3 MET 14 3HG MET 14 2.302 -6.018 12.689 135 HE1 MET 14 1HE MET 14 1.948 -5.158 9.205 136 HE2 MET 14 2HE MET 14 1.063 -4.364 10.508 137 HE3 MET 14 3HE MET 14 2.693 -4.975 10.793 138 H ALA 15 H ALA 15 2.785 -8.688 15.701 139 HA ALA 15 HA ALA 15 3.201 -6.107 16.875 140 HB1 ALA 15 1HB ALA 15 2.507 -8.776 18.089 141 HB2 ALA 15 2HB ALA 15 2.591 -7.264 18.995 142 HB3 ALA 15 3HB ALA 15 1.405 -7.454 17.704 143 H HIS 16 H HIS 16 5.353 -8.378 15.950 144 HA HIS 16 HA HIS 16 7.147 -7.968 18.240 145 HB2 HIS 16 2HB HIS 16 6.631 -10.205 16.510 146 HB3 HIS 16 3HB HIS 16 8.327 -9.748 16.392 147 HD1 HIS 16 HD1 HIS 16 9.627 -9.643 18.764 148 HD2 HIS 16 HD2 HIS 16 6.002 -11.673 18.715 149 HE1 HIS 16 HE1 HIS 16 9.622 -11.061 20.841 150 H ILE 17 H ILE 17 6.584 -7.021 15.016 151 HA ILE 17 HA ILE 17 9.103 -6.539 13.991 152 HB ILE 17 HB ILE 17 8.129 -4.850 12.586 153 HG12 ILE 17 2HG1 ILE 17 6.000 -4.778 14.706 154 HG13 ILE 17 3HG1 ILE 17 6.916 -3.442 14.017 155 HG21 ILE 17 1HG2 ILE 17 7.463 -7.325 12.395 156 HG22 ILE 17 2HG2 ILE 17 5.898 -6.803 13.014 157 HG23 ILE 17 3HG2 ILE 17 6.515 -6.135 11.503 158 HD11 ILE 17 1HD1 ILE 17 4.694 -4.995 12.722 159 HD12 ILE 17 2HD1 ILE 17 4.686 -3.301 13.214 160 HD13 ILE 17 3HD1 ILE 17 5.704 -3.825 11.873 161 H ARG 18 H ARG 18 7.226 -4.593 16.263 162 HA ARG 18 HA ARG 18 9.388 -2.635 16.433 163 HB2 ARG 18 2HB ARG 18 6.809 -2.140 16.353 164 HB3 ARG 18 3HB ARG 18 6.892 -2.485 18.075 165 HG2 ARG 18 2HG ARG 18 8.193 -0.636 18.521 166 HG3 ARG 18 3HG ARG 18 8.795 -0.532 16.865 167 HD2 ARG 18 2HD ARG 18 6.950 0.583 16.119 168 HD3 ARG 18 3HD ARG 18 5.881 -0.180 17.295 169 HE ARG 18 HE ARG 18 7.291 2.289 17.599 170 HH11 ARG 18 1HH1 ARG 18 5.982 -0.445 19.312 171 HH12 ARG 18 2HH1 ARG 18 5.782 0.419 20.801 172 HH21 ARG 18 1HH2 ARG 18 7.034 3.436 19.554 173 HH22 ARG 18 2HH2 ARG 18 6.380 2.626 20.937 174 H CYS 19 H CYS 19 7.296 -4.061 18.935 175 HA CYS 19 HA CYS 19 7.740 -4.820 21.032 176 HB2 CYS 19 2HB CYS 19 9.286 -6.291 19.341 177 HB3 CYS 19 3HB CYS 19 10.509 -5.640 20.425 178 HG CYS 19 HG CYS 19 8.112 -6.692 22.328 Start of MODEL 6 1 H1 PHE 1 H PHE 1 2.732 -2.387 -5.911 2 HA PHE 1 HA PHE 1 4.889 -3.464 -5.751 3 HB2 PHE 1 2HB PHE 1 4.953 -0.978 -4.031 4 HB3 PHE 1 3HB PHE 1 6.292 -1.663 -4.945 5 HD1 PHE 1 HD1 PHE 1 5.544 -2.076 -7.552 6 HD2 PHE 1 HD2 PHE 1 4.073 0.930 -4.922 7 HE1 PHE 1 HE1 PHE 1 4.934 -0.685 -9.488 8 HE2 PHE 1 HE2 PHE 1 3.460 2.325 -6.853 9 HZ PHE 1 HZ PHE 1 3.890 1.518 -9.140 10 H LEU 2 H LEU 2 3.427 -2.639 -2.650 11 HA LEU 2 HA LEU 2 4.905 -4.858 -1.434 12 HB2 LEU 2 2HB LEU 2 4.529 -2.211 -0.053 13 HB3 LEU 2 3HB LEU 2 5.457 -3.597 0.514 14 HG LEU 2 HG LEU 2 6.238 -2.164 -1.999 15 HD11 LEU 2 1HD1 LEU 2 6.016 -0.460 -0.245 16 HD12 LEU 2 2HD1 LEU 2 7.696 -0.721 -0.713 17 HD13 LEU 2 3HD1 LEU 2 7.085 -1.405 0.793 18 HD21 LEU 2 1HD2 LEU 2 8.234 -3.221 -0.129 19 HD22 LEU 2 2HD2 LEU 2 8.113 -3.391 -1.880 20 HD23 LEU 2 3HD2 LEU 2 7.160 -4.435 -0.824 21 HA PRO 3 HA PRO 3 0.341 -4.947 -0.533 22 HB2 PRO 3 2HB PRO 3 0.019 -7.559 -1.198 23 HB3 PRO 3 3HB PRO 3 -0.088 -6.247 -2.378 24 HG2 PRO 3 2HG PRO 3 2.204 -8.078 -1.783 25 HG3 PRO 3 3HG PRO 3 1.584 -7.535 -3.353 26 HD2 PRO 3 2HD PRO 3 3.776 -6.444 -2.195 27 HD3 PRO 3 3HD PRO 3 2.671 -5.506 -3.222 28 H LYS 4 H LYS 4 -0.803 -6.632 0.881 29 HA LYS 4 HA LYS 4 1.068 -7.588 2.949 30 HB2 LYS 4 2HB LYS 4 -1.267 -7.322 4.303 31 HB3 LYS 4 3HB LYS 4 -0.022 -6.082 4.232 32 HG2 LYS 4 2HG LYS 4 -1.206 -4.784 2.747 33 HG3 LYS 4 3HG LYS 4 -2.148 -6.148 2.141 34 HD2 LYS 4 2HD LYS 4 -3.562 -4.718 3.482 35 HD3 LYS 4 3HD LYS 4 -3.322 -6.256 4.314 36 HE2 LYS 4 2HE LYS 4 -1.239 -4.631 5.195 37 HE3 LYS 4 3HE LYS 4 -2.648 -3.573 5.155 38 HZ1 LYS 4 1HZ LYS 4 -3.778 -5.554 6.356 39 HZ2 LYS 4 2HZ LYS 4 -2.801 -4.491 7.237 40 HZ3 LYS 4 3HZ LYS 4 -2.195 -5.995 6.757 41 H LEU 5 H LEU 5 0.219 -9.122 0.693 42 HA LEU 5 HA LEU 5 -1.915 -10.784 0.928 43 HB2 LEU 5 2HB LEU 5 0.654 -10.889 -0.329 44 HB3 LEU 5 3HB LEU 5 0.250 -12.480 0.312 45 HG LEU 5 HG LEU 5 -1.503 -10.895 -1.563 46 HD11 LEU 5 1HD1 LEU 5 0.876 -12.054 -2.222 47 HD12 LEU 5 2HD1 LEU 5 -0.475 -11.807 -3.327 48 HD13 LEU 5 3HD1 LEU 5 -0.266 -13.363 -2.525 49 HD21 LEU 5 1HD2 LEU 5 -1.953 -13.205 0.068 50 HD22 LEU 5 2HD2 LEU 5 -2.041 -13.653 -1.635 51 HD23 LEU 5 3HD2 LEU 5 -3.069 -12.364 -1.008 52 H PHE 6 H PHE 6 1.076 -10.935 2.784 53 HA PHE 6 HA PHE 6 -0.185 -12.964 4.509 54 HB2 PHE 6 2HB PHE 6 2.014 -13.456 3.042 55 HB3 PHE 6 3HB PHE 6 2.775 -12.769 4.473 56 HD1 PHE 6 HD1 PHE 6 3.204 -14.110 6.306 57 HD2 PHE 6 HD2 PHE 6 0.319 -15.362 3.439 58 HE1 PHE 6 HE1 PHE 6 3.012 -16.279 7.452 59 HE2 PHE 6 HE2 PHE 6 0.121 -17.533 4.580 60 HZ PHE 6 HZ PHE 6 1.468 -17.993 6.590 61 H ALA 7 H ALA 7 0.970 -9.839 4.283 62 HA ALA 7 HA ALA 7 2.067 -9.512 6.895 63 HB1 ALA 7 1HB ALA 7 2.547 -7.427 6.228 64 HB2 ALA 7 2HB ALA 7 2.055 -7.997 4.632 65 HB3 ALA 7 3HB ALA 7 0.907 -7.128 5.650 66 H LYS 8 H LYS 8 -1.142 -9.428 5.554 67 HA LYS 8 HA LYS 8 -2.282 -8.218 7.938 68 HB2 LYS 8 2HB LYS 8 -4.436 -8.466 6.738 69 HB3 LYS 8 3HB LYS 8 -3.238 -7.572 5.812 70 HG2 LYS 8 2HG LYS 8 -3.394 -9.000 4.129 71 HG3 LYS 8 3HG LYS 8 -3.066 -10.368 5.195 72 HD2 LYS 8 2HD LYS 8 -5.253 -10.899 5.400 73 HD3 LYS 8 3HD LYS 8 -5.771 -9.211 5.394 74 HE2 LYS 8 2HE LYS 8 -6.138 -9.214 3.182 75 HE3 LYS 8 3HE LYS 8 -4.662 -10.117 2.845 76 HZ1 LYS 8 1HZ LYS 8 -6.863 -11.234 2.316 77 HZ2 LYS 8 2HZ LYS 8 -7.053 -11.429 3.985 78 HZ3 LYS 8 3HZ LYS 8 -5.738 -12.141 3.195 79 H ILE 9 H ILE 9 -1.985 -11.361 6.422 80 HA ILE 9 HA ILE 9 -3.851 -12.685 8.133 81 HB ILE 9 HB ILE 9 -3.252 -14.672 7.085 82 HG12 ILE 9 2HG1 ILE 9 -0.971 -14.575 5.677 83 HG13 ILE 9 3HG1 ILE 9 -0.555 -13.427 6.946 84 HG21 ILE 9 1HG2 ILE 9 -3.819 -12.520 5.552 85 HG22 ILE 9 2HG2 ILE 9 -2.316 -13.064 4.808 86 HG23 ILE 9 3HG2 ILE 9 -3.686 -14.167 4.934 87 HD11 ILE 9 1HD1 ILE 9 -0.812 -16.332 7.045 88 HD12 ILE 9 2HD1 ILE 9 0.123 -15.234 8.061 89 HD13 ILE 9 3HD1 ILE 9 -1.591 -15.490 8.384 90 H THR 10 H THR 10 -0.483 -11.869 8.329 91 HA THR 10 HA THR 10 0.053 -13.700 10.507 92 HB THR 10 HB THR 10 2.271 -12.476 10.596 93 HG1 THR 10 HG1 THR 10 2.653 -10.894 9.179 94 HG21 THR 10 1HG2 THR 10 2.008 -14.579 9.382 95 HG22 THR 10 2HG2 THR 10 3.106 -13.498 8.523 96 HG23 THR 10 3HG2 THR 10 1.448 -13.700 7.960 97 H LYS 11 H LYS 11 -0.410 -13.284 12.556 98 HA LYS 11 HA LYS 11 -0.600 -10.470 13.415 99 HB2 LYS 11 2HB LYS 11 -2.222 -11.383 15.163 100 HB3 LYS 11 3HB LYS 11 -2.805 -11.293 13.506 101 HG2 LYS 11 2HG LYS 11 -1.571 -13.832 14.438 102 HG3 LYS 11 3HG LYS 11 -3.199 -13.427 14.986 103 HD2 LYS 11 2HD LYS 11 -3.643 -12.964 12.464 104 HD3 LYS 11 3HD LYS 11 -2.207 -13.959 12.213 105 HE2 LYS 11 2HE LYS 11 -3.598 -15.705 12.288 106 HE3 LYS 11 3HE LYS 11 -3.661 -15.424 14.027 107 HZ1 LYS 11 1HZ LYS 11 -5.866 -15.389 13.525 108 HZ2 LYS 11 2HZ LYS 11 -5.636 -14.773 11.967 109 HZ3 LYS 11 3HZ LYS 11 -5.522 -13.747 13.307 110 H LYS 12 H LYS 12 1.545 -12.698 13.492 111 HA LYS 12 HA LYS 12 2.035 -12.687 16.390 112 HB2 LYS 12 2HB LYS 12 3.863 -14.271 14.745 113 HB3 LYS 12 3HB LYS 12 2.959 -14.729 16.183 114 HG2 LYS 12 2HG LYS 12 0.922 -14.851 14.651 115 HG3 LYS 12 3HG LYS 12 2.078 -14.799 13.318 116 HD2 LYS 12 2HD LYS 12 1.800 -17.075 13.639 117 HD3 LYS 12 3HD LYS 12 3.244 -16.738 14.596 118 HE2 LYS 12 2HE LYS 12 0.810 -16.367 16.128 119 HE3 LYS 12 3HE LYS 12 0.930 -17.997 15.467 120 HZ1 LYS 12 1HZ LYS 12 2.507 -16.720 17.526 121 HZ2 LYS 12 2HZ LYS 12 3.408 -17.608 16.404 122 HZ3 LYS 12 3HZ LYS 12 2.170 -18.360 17.280 123 H ASN 13 H ASN 13 4.155 -12.728 13.526 124 HA ASN 13 HA ASN 13 6.241 -11.319 14.778 125 HB2 ASN 13 2HB ASN 13 5.719 -12.467 12.193 126 HB3 ASN 13 3HB ASN 13 6.438 -10.872 11.995 127 HD21 ASN 13 1HD2 ASN 13 8.448 -10.453 13.123 128 HD22 ASN 13 2HD2 ASN 13 9.552 -11.755 13.389 129 H MET 14 H MET 14 3.298 -10.253 13.412 130 HA MET 14 HA MET 14 3.968 -7.693 12.511 131 HB2 MET 14 2HB MET 14 1.763 -8.880 12.210 132 HB3 MET 14 3HB MET 14 1.382 -8.452 13.873 133 HG2 MET 14 2HG MET 14 0.538 -6.556 13.120 134 HG3 MET 14 3HG MET 14 2.171 -6.066 12.675 135 HE1 MET 14 1HE MET 14 2.767 -7.513 9.445 136 HE2 MET 14 2HE MET 14 2.493 -5.775 9.328 137 HE3 MET 14 3HE MET 14 3.280 -6.450 10.756 138 H ALA 15 H ALA 15 2.747 -8.692 15.708 139 HA ALA 15 HA ALA 15 3.149 -6.091 16.844 140 HB1 ALA 15 1HB ALA 15 2.929 -8.301 18.737 141 HB2 ALA 15 2HB ALA 15 1.926 -6.862 18.549 142 HB3 ALA 15 3HB ALA 15 1.643 -8.274 17.530 143 H HIS 16 H HIS 16 5.315 -8.345 15.906 144 HA HIS 16 HA HIS 16 7.145 -7.881 18.157 145 HB2 HIS 16 2HB HIS 16 6.628 -10.146 16.463 146 HB3 HIS 16 3HB HIS 16 8.316 -9.667 16.307 147 HD1 HIS 16 HD1 HIS 16 5.818 -10.790 18.903 148 HD2 HIS 16 HD2 HIS 16 9.920 -10.317 18.445 149 HE1 HIS 16 HE1 HIS 16 6.849 -11.860 20.932 150 H ILE 17 H ILE 17 6.509 -6.981 14.932 151 HA ILE 17 HA ILE 17 9.001 -6.477 13.855 152 HB ILE 17 HB ILE 17 7.978 -4.819 12.448 153 HG12 ILE 17 2HG1 ILE 17 5.888 -4.750 14.607 154 HG13 ILE 17 3HG1 ILE 17 6.771 -3.410 13.884 155 HG21 ILE 17 1HG2 ILE 17 6.362 -6.139 11.411 156 HG22 ILE 17 2HG2 ILE 17 7.344 -7.304 12.298 157 HG23 ILE 17 3HG2 ILE 17 5.782 -6.798 12.941 158 HD11 ILE 17 1HD1 ILE 17 4.548 -5.010 12.650 159 HD12 ILE 17 2HD1 ILE 17 4.525 -3.310 13.122 160 HD13 ILE 17 3HD1 ILE 17 5.526 -3.837 11.768 161 H ARG 18 H ARG 18 7.139 -4.530 16.139 162 HA ARG 18 HA ARG 18 9.197 -2.477 16.202 163 HB2 ARG 18 2HB ARG 18 6.593 -2.175 16.391 164 HB3 ARG 18 3HB ARG 18 6.874 -2.544 18.087 165 HG2 ARG 18 2HG ARG 18 8.077 -0.611 18.448 166 HG3 ARG 18 3HG ARG 18 8.496 -0.432 16.743 167 HD2 ARG 18 2HD ARG 18 6.885 1.148 16.800 168 HD3 ARG 18 3HD ARG 18 5.820 -0.241 16.583 169 HE ARG 18 HE ARG 18 5.035 0.072 18.712 170 HH11 ARG 18 1HH1 ARG 18 7.971 1.895 18.294 171 HH12 ARG 18 2HH1 ARG 18 7.826 2.724 19.808 172 HH21 ARG 18 1HH2 ARG 18 4.832 1.158 20.708 173 HH22 ARG 18 2HH2 ARG 18 6.041 2.304 21.181 174 H CYS 19 H CYS 19 7.476 -4.100 18.862 175 HA CYS 19 HA CYS 19 8.188 -4.924 20.857 176 HB2 CYS 19 2HB CYS 19 9.959 -5.937 18.917 177 HB3 CYS 19 3HB CYS 19 10.967 -5.416 20.262 178 HG CYS 19 HG CYS 19 8.492 -7.766 20.303 Start of MODEL 7 1 H1 PHE 1 H PHE 1 1.539 0.917 0.302 2 HA PHE 1 HA PHE 1 2.334 0.837 -2.239 3 HB2 PHE 1 2HB PHE 1 3.527 1.697 0.019 4 HB3 PHE 1 3HB PHE 1 4.573 0.333 -0.361 5 HD1 PHE 1 HD1 PHE 1 3.164 3.462 -1.762 6 HD2 PHE 1 HD2 PHE 1 6.230 0.519 -1.992 7 HE1 PHE 1 HE1 PHE 1 4.371 4.852 -3.395 8 HE2 PHE 1 HE2 PHE 1 7.442 1.904 -3.624 9 HZ PHE 1 HZ PHE 1 6.513 4.074 -4.327 10 H LEU 2 H LEU 2 2.702 -1.808 0.030 11 HA LEU 2 HA LEU 2 3.612 -3.508 -2.196 12 HB2 LEU 2 2HB LEU 2 4.656 -4.871 -0.213 13 HB3 LEU 2 3HB LEU 2 5.517 -3.520 -0.947 14 HG LEU 2 HG LEU 2 3.835 -2.825 1.368 15 HD11 LEU 2 1HD1 LEU 2 6.020 -4.835 1.533 16 HD12 LEU 2 2HD1 LEU 2 4.533 -4.700 2.471 17 HD13 LEU 2 3HD1 LEU 2 5.888 -3.623 2.807 18 HD21 LEU 2 1HD2 LEU 2 5.357 -1.172 1.626 19 HD22 LEU 2 2HD2 LEU 2 5.695 -1.536 -0.067 20 HD23 LEU 2 3HD2 LEU 2 6.720 -2.208 1.202 21 HA PRO 3 HA PRO 3 0.294 -6.242 -1.318 22 HB2 PRO 3 2HB PRO 3 1.422 -8.675 -1.743 23 HB3 PRO 3 3HB PRO 3 1.041 -7.550 -3.053 24 HG2 PRO 3 2HG PRO 3 3.663 -8.070 -1.705 25 HG3 PRO 3 3HG PRO 3 3.315 -7.858 -3.430 26 HD2 PRO 3 2HD PRO 3 4.335 -5.875 -1.895 27 HD3 PRO 3 3HD PRO 3 3.248 -5.560 -3.262 28 H LYS 4 H LYS 4 -0.620 -7.461 0.302 29 HA LYS 4 HA LYS 4 1.136 -8.145 2.569 30 HB2 LYS 4 2HB LYS 4 -1.296 -7.884 3.737 31 HB3 LYS 4 3HB LYS 4 -0.109 -6.590 3.636 32 HG2 LYS 4 2HG LYS 4 -1.251 -5.484 1.978 33 HG3 LYS 4 3HG LYS 4 -2.071 -6.944 1.420 34 HD2 LYS 4 2HD LYS 4 -3.632 -5.452 2.550 35 HD3 LYS 4 3HD LYS 4 -3.432 -6.952 3.459 36 HE2 LYS 4 2HE LYS 4 -2.415 -5.918 5.200 37 HE3 LYS 4 3HE LYS 4 -1.612 -4.736 4.167 38 HZ1 LYS 4 1HZ LYS 4 -4.508 -4.678 4.811 39 HZ2 LYS 4 2HZ LYS 4 -3.620 -3.487 4.001 40 HZ3 LYS 4 3HZ LYS 4 -3.337 -3.784 5.642 41 H LEU 5 H LEU 5 0.529 -9.904 0.407 42 HA LEU 5 HA LEU 5 -1.542 -11.644 0.630 43 HB2 LEU 5 2HB LEU 5 0.928 -11.649 -0.622 44 HB3 LEU 5 3HB LEU 5 0.959 -13.099 0.380 45 HG LEU 5 HG LEU 5 -1.382 -12.597 -1.409 46 HD11 LEU 5 1HD1 LEU 5 0.085 -12.410 -3.123 47 HD12 LEU 5 2HD1 LEU 5 0.092 -14.167 -2.982 48 HD13 LEU 5 3HD1 LEU 5 1.386 -13.219 -2.249 49 HD21 LEU 5 1HD2 LEU 5 -1.010 -14.493 0.376 50 HD22 LEU 5 2HD2 LEU 5 -0.067 -15.225 -0.924 51 HD23 LEU 5 3HD2 LEU 5 -1.771 -14.842 -1.177 52 H PHE 6 H PHE 6 1.301 -11.490 2.706 53 HA PHE 6 HA PHE 6 -0.002 -13.424 4.507 54 HB2 PHE 6 2HB PHE 6 2.322 -13.932 3.254 55 HB3 PHE 6 3HB PHE 6 2.942 -13.086 4.668 56 HD1 PHE 6 HD1 PHE 6 3.286 -14.239 6.642 57 HD2 PHE 6 HD2 PHE 6 0.686 -15.879 3.698 58 HE1 PHE 6 HE1 PHE 6 3.101 -16.307 7.962 59 HE2 PHE 6 HE2 PHE 6 0.496 -17.949 5.014 60 HZ PHE 6 HZ PHE 6 1.704 -18.165 7.149 61 H ALA 7 H ALA 7 1.035 -10.277 4.090 62 HA ALA 7 HA ALA 7 1.910 -9.676 6.737 63 HB1 ALA 7 1HB ALA 7 2.006 -8.362 4.352 64 HB2 ALA 7 2HB ALA 7 0.753 -7.463 5.209 65 HB3 ALA 7 3HB ALA 7 2.357 -7.638 5.921 66 H LYS 8 H LYS 8 -1.185 -9.866 5.161 67 HA LYS 8 HA LYS 8 -2.558 -8.512 7.337 68 HB2 LYS 8 2HB LYS 8 -4.599 -8.965 6.008 69 HB3 LYS 8 3HB LYS 8 -3.369 -8.100 5.094 70 HG2 LYS 8 2HG LYS 8 -3.341 -9.675 3.541 71 HG3 LYS 8 3HG LYS 8 -3.036 -10.927 4.747 72 HD2 LYS 8 2HD LYS 8 -5.203 -11.553 4.832 73 HD3 LYS 8 3HD LYS 8 -5.794 -9.898 4.660 74 HE2 LYS 8 2HE LYS 8 -4.474 -11.098 2.300 75 HE3 LYS 8 3HE LYS 8 -6.047 -11.755 2.746 76 HZ1 LYS 8 1HZ LYS 8 -6.951 -10.035 1.711 77 HZ2 LYS 8 2HZ LYS 8 -5.444 -9.314 1.450 78 HZ3 LYS 8 3HZ LYS 8 -6.291 -9.006 2.881 79 H ILE 9 H ILE 9 -2.009 -11.755 6.135 80 HA ILE 9 HA ILE 9 -3.945 -13.017 7.815 81 HB ILE 9 HB ILE 9 -3.186 -15.055 6.993 82 HG12 ILE 9 2HG1 ILE 9 -0.808 -14.969 5.756 83 HG13 ILE 9 3HG1 ILE 9 -0.540 -13.700 6.945 84 HG21 ILE 9 1HG2 ILE 9 -3.470 -14.757 4.779 85 HG22 ILE 9 2HG2 ILE 9 -3.720 -13.073 5.237 86 HG23 ILE 9 3HG2 ILE 9 -2.142 -13.603 4.658 87 HD11 ILE 9 1HD1 ILE 9 -0.705 -16.598 7.285 88 HD12 ILE 9 2HD1 ILE 9 0.134 -15.381 8.248 89 HD13 ILE 9 3HD1 ILE 9 -1.590 -15.665 8.491 90 H THR 10 H THR 10 -0.641 -12.022 8.184 91 HA THR 10 HA THR 10 -0.195 -13.634 10.547 92 HB THR 10 HB THR 10 1.951 -12.292 10.691 93 HG1 THR 10 HG1 THR 10 2.449 -11.162 8.687 94 HG21 THR 10 1HG2 THR 10 2.992 -13.446 8.789 95 HG22 THR 10 2HG2 THR 10 1.394 -13.780 8.122 96 HG23 THR 10 3HG2 THR 10 1.879 -14.502 9.656 97 H LYS 11 H LYS 11 -0.853 -13.073 12.506 98 HA LYS 11 HA LYS 11 -1.205 -10.210 13.110 99 HB2 LYS 11 2HB LYS 11 -2.948 -11.057 14.788 100 HB3 LYS 11 3HB LYS 11 -3.388 -11.075 13.085 101 HG2 LYS 11 2HG LYS 11 -4.138 -13.118 13.960 102 HG3 LYS 11 3HG LYS 11 -2.668 -13.500 13.062 103 HD2 LYS 11 2HD LYS 11 -1.426 -13.841 14.997 104 HD3 LYS 11 3HD LYS 11 -2.543 -12.908 15.996 105 HE2 LYS 11 2HE LYS 11 -4.209 -14.835 15.233 106 HE3 LYS 11 3HE LYS 11 -2.698 -15.729 15.083 107 HZ1 LYS 11 1HZ LYS 11 -3.573 -16.051 17.266 108 HZ2 LYS 11 2HZ LYS 11 -3.734 -14.387 17.518 109 HZ3 LYS 11 3HZ LYS 11 -2.195 -15.079 17.399 110 H LYS 12 H LYS 12 1.022 -12.269 13.541 111 HA LYS 12 HA LYS 12 1.306 -11.844 16.444 112 HB2 LYS 12 2HB LYS 12 3.046 -13.858 15.969 113 HB3 LYS 12 3HB LYS 12 1.380 -14.105 16.478 114 HG2 LYS 12 2HG LYS 12 0.692 -14.755 14.377 115 HG3 LYS 12 3HG LYS 12 2.027 -13.930 13.570 116 HD2 LYS 12 2HD LYS 12 2.541 -16.238 15.411 117 HD3 LYS 12 3HD LYS 12 2.064 -16.512 13.734 118 HE2 LYS 12 2HE LYS 12 4.317 -16.466 13.443 119 HE3 LYS 12 3HE LYS 12 4.001 -14.737 13.312 120 HZ1 LYS 12 1HZ LYS 12 5.063 -14.319 15.221 121 HZ2 LYS 12 2HZ LYS 12 5.782 -15.832 14.990 122 HZ3 LYS 12 3HZ LYS 12 4.438 -15.680 16.007 123 H ASN 13 H ASN 13 3.612 -12.881 13.955 124 HA ASN 13 HA ASN 13 5.791 -11.497 14.915 125 HB2 ASN 13 2HB ASN 13 5.151 -12.986 12.569 126 HB3 ASN 13 3HB ASN 13 5.981 -11.515 12.071 127 HD21 ASN 13 1HD2 ASN 13 6.556 -14.578 12.586 128 HD22 ASN 13 2HD2 ASN 13 8.144 -14.526 13.264 129 H MET 14 H MET 14 3.121 -10.326 13.019 130 HA MET 14 HA MET 14 4.237 -7.972 11.997 131 HB2 MET 14 2HB MET 14 2.003 -8.972 11.396 132 HB3 MET 14 3HB MET 14 1.378 -8.317 12.903 133 HG2 MET 14 2HG MET 14 0.900 -6.459 11.807 134 HG3 MET 14 3HG MET 14 2.632 -6.170 11.658 135 HE1 MET 14 1HE MET 14 2.091 -5.105 8.286 136 HE2 MET 14 2HE MET 14 2.716 -4.890 9.921 137 HE3 MET 14 3HE MET 14 3.599 -5.886 8.763 138 H ALA 15 H ALA 15 2.351 -8.453 14.983 139 HA ALA 15 HA ALA 15 2.833 -5.782 15.901 140 HB1 ALA 15 1HB ALA 15 2.036 -7.650 17.970 141 HB2 ALA 15 2HB ALA 15 1.200 -6.226 17.349 142 HB3 ALA 15 3HB ALA 15 1.026 -7.778 16.531 143 H HIS 16 H HIS 16 4.864 -8.321 15.634 144 HA HIS 16 HA HIS 16 6.298 -7.756 18.135 145 HB2 HIS 16 2HB HIS 16 5.846 -10.153 16.613 146 HB3 HIS 16 3HB HIS 16 7.576 -9.852 16.737 147 HD1 HIS 16 HD1 HIS 16 4.768 -11.231 18.577 148 HD2 HIS 16 HD2 HIS 16 8.456 -9.569 19.526 149 HE1 HIS 16 HE1 HIS 16 5.231 -11.930 20.948 150 H ILE 17 H ILE 17 6.360 -7.199 14.774 151 HA ILE 17 HA ILE 17 9.047 -7.058 14.150 152 HB ILE 17 HB ILE 17 8.488 -5.495 12.412 153 HG12 ILE 17 2HG1 ILE 17 6.062 -4.977 14.110 154 HG13 ILE 17 3HG1 ILE 17 7.206 -3.820 13.438 155 HG21 ILE 17 1HG2 ILE 17 7.620 -7.913 12.393 156 HG22 ILE 17 2HG2 ILE 17 6.034 -7.196 12.676 157 HG23 ILE 17 3HG2 ILE 17 6.944 -6.778 11.224 158 HD11 ILE 17 1HD1 ILE 17 6.322 -4.381 11.178 159 HD12 ILE 17 2HD1 ILE 17 5.078 -5.349 11.969 160 HD13 ILE 17 3HD1 ILE 17 5.158 -3.611 12.255 161 H ARG 18 H ARG 18 7.034 -4.688 15.824 162 HA ARG 18 HA ARG 18 9.450 -3.086 16.345 163 HB2 ARG 18 2HB ARG 18 7.324 -2.121 15.139 164 HB3 ARG 18 3HB ARG 18 6.686 -2.024 16.775 165 HG2 ARG 18 2HG ARG 18 8.214 -0.423 17.422 166 HG3 ARG 18 3HG ARG 18 9.366 -0.866 16.160 167 HD2 ARG 18 2HD ARG 18 6.688 0.409 15.627 168 HD3 ARG 18 3HD ARG 18 8.192 1.314 15.793 169 HE ARG 18 HE ARG 18 7.342 -0.233 13.527 170 HH11 ARG 18 1HH1 ARG 18 10.083 1.063 15.238 171 HH12 ARG 18 2HH1 ARG 18 11.114 1.068 13.846 172 HH21 ARG 18 1HH2 ARG 18 8.690 -0.231 11.687 173 HH22 ARG 18 2HH2 ARG 18 10.321 0.333 11.826 174 H CYS 19 H CYS 19 6.291 -3.376 17.959 175 HA CYS 19 HA CYS 19 5.719 -3.693 20.136 176 HB2 CYS 19 2HB CYS 19 7.356 -5.766 19.508 177 HB3 CYS 19 3HB CYS 19 8.230 -5.067 20.866 178 HG CYS 19 HG CYS 19 5.105 -5.227 21.746 Start of MODEL 8 1 H1 PHE 1 H PHE 1 0.922 -0.136 -2.114 2 HA PHE 1 HA PHE 1 3.800 -0.108 -1.661 3 HB2 PHE 1 2HB PHE 1 1.578 -1.115 0.128 4 HB3 PHE 1 3HB PHE 1 3.264 -0.898 0.586 5 HD1 PHE 1 HD1 PHE 1 4.220 1.412 0.652 6 HD2 PHE 1 HD2 PHE 1 0.054 0.671 0.196 7 HE1 PHE 1 HE1 PHE 1 3.737 3.726 1.337 8 HE2 PHE 1 HE2 PHE 1 -0.436 2.983 0.880 9 HZ PHE 1 HZ PHE 1 1.407 4.514 1.450 10 H LEU 2 H LEU 2 4.609 -2.226 -0.526 11 HA LEU 2 HA LEU 2 4.653 -4.245 -2.478 12 HB2 LEU 2 2HB LEU 2 5.662 -3.928 0.287 13 HB3 LEU 2 3HB LEU 2 5.534 -5.574 -0.331 14 HG LEU 2 HG LEU 2 7.037 -5.030 -2.161 15 HD11 LEU 2 1HD1 LEU 2 8.214 -2.642 -1.597 16 HD12 LEU 2 2HD1 LEU 2 6.520 -2.297 -1.247 17 HD13 LEU 2 3HD1 LEU 2 6.987 -2.896 -2.838 18 HD21 LEU 2 1HD2 LEU 2 8.930 -5.234 -0.929 19 HD22 LEU 2 2HD2 LEU 2 7.760 -5.495 0.365 20 HD23 LEU 2 3HD2 LEU 2 8.503 -3.909 0.154 21 HA PRO 3 HA PRO 3 1.227 -6.844 -1.609 22 HB2 PRO 3 2HB PRO 3 2.282 -9.328 -1.911 23 HB3 PRO 3 3HB PRO 3 1.982 -8.239 -3.271 24 HG2 PRO 3 2HG PRO 3 4.540 -8.798 -1.820 25 HG3 PRO 3 3HG PRO 3 4.255 -8.637 -3.562 26 HD2 PRO 3 2HD PRO 3 5.295 -6.635 -2.065 27 HD3 PRO 3 3HD PRO 3 4.263 -6.334 -3.478 28 H LYS 4 H LYS 4 0.210 -7.720 0.113 29 HA LYS 4 HA LYS 4 1.877 -8.589 2.384 30 HB2 LYS 4 2HB LYS 4 -0.462 -7.900 3.569 31 HB3 LYS 4 3HB LYS 4 0.914 -6.818 3.404 32 HG2 LYS 4 2HG LYS 4 -0.065 -5.606 1.715 33 HG3 LYS 4 3HG LYS 4 -1.119 -6.935 1.228 34 HD2 LYS 4 2HD LYS 4 -2.397 -5.167 2.315 35 HD3 LYS 4 3HD LYS 4 -2.426 -6.646 3.280 36 HE2 LYS 4 2HE LYS 4 -0.965 -5.772 4.876 37 HE3 LYS 4 3HE LYS 4 -0.395 -4.502 3.794 38 HZ1 LYS 4 1HZ LYS 4 -2.862 -3.744 3.919 39 HZ2 LYS 4 2HZ LYS 4 -1.793 -3.346 5.168 40 HZ3 LYS 4 3HZ LYS 4 -2.876 -4.631 5.360 41 H LEU 5 H LEU 5 0.962 -10.310 0.303 42 HA LEU 5 HA LEU 5 -1.354 -11.690 0.617 43 HB2 LEU 5 2HB LEU 5 1.140 -12.168 -0.579 44 HB3 LEU 5 3HB LEU 5 0.787 -13.593 0.396 45 HG LEU 5 HG LEU 5 -0.947 -12.457 -1.798 46 HD11 LEU 5 1HD1 LEU 5 0.758 -14.937 -1.645 47 HD12 LEU 5 2HD1 LEU 5 1.004 -13.541 -2.695 48 HD13 LEU 5 3HD1 LEU 5 -0.397 -14.586 -2.931 49 HD21 LEU 5 1HD2 LEU 5 -2.292 -13.434 -0.017 50 HD22 LEU 5 2HD2 LEU 5 -1.321 -14.906 -0.074 51 HD23 LEU 5 3HD2 LEU 5 -2.321 -14.454 -1.456 52 H PHE 6 H PHE 6 1.511 -11.914 2.657 53 HA PHE 6 HA PHE 6 -0.057 -13.537 4.551 54 HB2 PHE 6 2HB PHE 6 2.136 -14.462 3.294 55 HB3 PHE 6 3HB PHE 6 2.904 -13.680 4.672 56 HD1 PHE 6 HD1 PHE 6 3.083 -14.808 6.682 57 HD2 PHE 6 HD2 PHE 6 0.208 -16.097 3.820 58 HE1 PHE 6 HE1 PHE 6 2.580 -16.772 8.076 59 HE2 PHE 6 HE2 PHE 6 -0.300 -18.062 5.210 60 HZ PHE 6 HZ PHE 6 0.886 -18.401 7.342 61 H ALA 7 H ALA 7 1.467 -10.619 3.992 62 HA ALA 7 HA ALA 7 2.477 -10.065 6.601 63 HB1 ALA 7 1HB ALA 7 3.234 -8.161 5.695 64 HB2 ALA 7 2HB ALA 7 2.739 -8.878 4.161 65 HB3 ALA 7 3HB ALA 7 1.666 -7.755 4.997 66 H LYS 8 H LYS 8 -0.637 -9.819 5.074 67 HA LYS 8 HA LYS 8 -1.732 -8.175 7.209 68 HB2 LYS 8 2HB LYS 8 -3.844 -8.340 5.923 69 HB3 LYS 8 3HB LYS 8 -2.508 -7.720 4.963 70 HG2 LYS 8 2HG LYS 8 -2.763 -9.333 3.471 71 HG3 LYS 8 3HG LYS 8 -2.638 -10.573 4.720 72 HD2 LYS 8 2HD LYS 8 -4.750 -10.927 3.792 73 HD3 LYS 8 3HD LYS 8 -5.085 -9.994 5.253 74 HE2 LYS 8 2HE LYS 8 -5.169 -7.943 3.886 75 HE3 LYS 8 3HE LYS 8 -4.905 -8.917 2.440 76 HZ1 LYS 8 1HZ LYS 8 -7.072 -9.275 2.338 77 HZ2 LYS 8 2HZ LYS 8 -7.323 -8.357 3.736 78 HZ3 LYS 8 3HZ LYS 8 -7.048 -10.022 3.856 79 H ILE 9 H ILE 9 -1.742 -11.506 6.128 80 HA ILE 9 HA ILE 9 -3.825 -12.374 7.879 81 HB ILE 9 HB ILE 9 -3.415 -14.539 7.134 82 HG12 ILE 9 2HG1 ILE 9 -1.080 -14.882 5.862 83 HG13 ILE 9 3HG1 ILE 9 -0.589 -13.626 6.993 84 HG21 ILE 9 1HG2 ILE 9 -3.659 -12.562 5.306 85 HG22 ILE 9 2HG2 ILE 9 -2.201 -13.367 4.727 86 HG23 ILE 9 3HG2 ILE 9 -3.697 -14.282 4.916 87 HD11 ILE 9 1HD1 ILE 9 -1.897 -15.330 8.641 88 HD12 ILE 9 2HD1 ILE 9 -1.212 -16.445 7.458 89 HD13 ILE 9 3HD1 ILE 9 -0.158 -15.347 8.348 90 H THR 10 H THR 10 -0.397 -11.918 8.172 91 HA THR 10 HA THR 10 -0.180 -13.487 10.596 92 HB THR 10 HB THR 10 2.160 -12.520 10.661 93 HG1 THR 10 HG1 THR 10 1.998 -10.688 9.438 94 HG21 THR 10 1HG2 THR 10 1.319 -13.982 8.154 95 HG22 THR 10 2HG2 THR 10 1.703 -14.722 9.709 96 HG23 THR 10 3HG2 THR 10 2.961 -13.895 8.790 97 H LYS 11 H LYS 11 -0.683 -12.749 12.542 98 HA LYS 11 HA LYS 11 -0.577 -9.841 13.018 99 HB2 LYS 11 2HB LYS 11 -2.373 -10.323 14.768 100 HB3 LYS 11 3HB LYS 11 -2.866 -10.395 13.082 101 HG2 LYS 11 2HG LYS 11 -1.983 -12.905 14.407 102 HG3 LYS 11 3HG LYS 11 -3.574 -12.251 14.800 103 HD2 LYS 11 2HD LYS 11 -3.860 -12.090 12.223 104 HD3 LYS 11 3HD LYS 11 -2.530 -13.251 12.178 105 HE2 LYS 11 2HE LYS 11 -4.564 -14.490 12.125 106 HE3 LYS 11 3HE LYS 11 -3.860 -14.699 13.728 107 HZ1 LYS 11 1HZ LYS 11 -6.397 -13.719 13.060 108 HZ2 LYS 11 2HZ LYS 11 -5.537 -12.465 13.801 109 HZ3 LYS 11 3HZ LYS 11 -5.732 -13.944 14.599 110 H LYS 12 H LYS 12 1.283 -12.264 13.512 111 HA LYS 12 HA LYS 12 1.634 -11.929 16.410 112 HB2 LYS 12 2HB LYS 12 3.360 -13.885 15.087 113 HB3 LYS 12 3HB LYS 12 2.337 -14.065 16.506 114 HG2 LYS 12 2HG LYS 12 0.381 -14.176 14.877 115 HG3 LYS 12 3HG LYS 12 1.600 -14.395 13.618 116 HD2 LYS 12 2HD LYS 12 2.191 -16.475 14.362 117 HD3 LYS 12 3HD LYS 12 1.768 -16.115 16.038 118 HE2 LYS 12 2HE LYS 12 -0.667 -15.987 15.013 119 HE3 LYS 12 3HE LYS 12 0.050 -17.037 13.791 120 HZ1 LYS 12 1HZ LYS 12 0.693 -17.843 16.464 121 HZ2 LYS 12 2HZ LYS 12 0.055 -18.751 15.188 122 HZ3 LYS 12 3HZ LYS 12 -0.974 -17.842 16.176 123 H ASN 13 H ASN 13 3.876 -12.544 13.708 124 HA ASN 13 HA ASN 13 6.033 -11.197 14.915 125 HB2 ASN 13 2HB ASN 13 5.536 -12.631 12.472 126 HB3 ASN 13 3HB ASN 13 6.431 -11.156 12.118 127 HD21 ASN 13 1HD2 ASN 13 6.688 -14.330 13.008 128 HD22 ASN 13 2HD2 ASN 13 8.296 -14.313 13.639 129 H MET 14 H MET 14 3.301 -10.043 13.220 130 HA MET 14 HA MET 14 4.289 -7.709 12.041 131 HB2 MET 14 2HB MET 14 1.990 -8.703 11.746 132 HB3 MET 14 3HB MET 14 1.566 -8.017 13.309 133 HG2 MET 14 2HG MET 14 0.972 -6.168 12.258 134 HG3 MET 14 3HG MET 14 2.670 -5.907 11.867 135 HE1 MET 14 1HE MET 14 3.060 -6.991 8.261 136 HE2 MET 14 2HE MET 14 3.755 -6.233 9.693 137 HE3 MET 14 3HE MET 14 3.490 -7.977 9.658 138 H ALA 15 H ALA 15 2.794 -8.135 15.250 139 HA ALA 15 HA ALA 15 3.408 -5.456 16.060 140 HB1 ALA 15 1HB ALA 15 2.126 -5.872 17.875 141 HB2 ALA 15 2HB ALA 15 1.574 -7.227 16.889 142 HB3 ALA 15 3HB ALA 15 2.806 -7.480 18.125 143 H HIS 16 H HIS 16 5.369 -8.019 15.577 144 HA HIS 16 HA HIS 16 7.110 -7.434 17.870 145 HB2 HIS 16 2HB HIS 16 6.449 -9.847 16.455 146 HB3 HIS 16 3HB HIS 16 8.185 -9.563 16.355 147 HD1 HIS 16 HD1 HIS 16 8.949 -8.601 19.047 148 HD2 HIS 16 HD2 HIS 16 6.064 -11.542 18.514 149 HE1 HIS 16 HE1 HIS 16 8.853 -9.851 21.227 150 H ILE 17 H ILE 17 6.754 -6.926 14.519 151 HA ILE 17 HA ILE 17 9.342 -6.822 13.561 152 HB ILE 17 HB ILE 17 8.581 -5.280 11.882 153 HG12 ILE 17 2HG1 ILE 17 6.394 -4.710 13.863 154 HG13 ILE 17 3HG1 ILE 17 7.454 -3.576 13.034 155 HG21 ILE 17 1HG2 ILE 17 6.893 -6.564 10.917 156 HG22 ILE 17 2HG2 ILE 17 7.695 -7.688 12.014 157 HG23 ILE 17 3HG2 ILE 17 6.163 -6.947 12.476 158 HD11 ILE 17 1HD1 ILE 17 6.288 -4.160 10.912 159 HD12 ILE 17 2HD1 ILE 17 5.145 -5.103 11.869 160 HD13 ILE 17 3HD1 ILE 17 5.275 -3.362 12.115 161 H ARG 18 H ARG 18 7.575 -4.407 15.436 162 HA ARG 18 HA ARG 18 9.955 -2.696 15.482 163 HB2 ARG 18 2HB ARG 18 7.497 -1.902 14.999 164 HB3 ARG 18 3HB ARG 18 7.355 -1.934 16.751 165 HG2 ARG 18 2HG ARG 18 8.861 -0.214 17.040 166 HG3 ARG 18 3HG ARG 18 9.636 -0.492 15.479 167 HD2 ARG 18 2HD ARG 18 8.391 1.501 15.244 168 HD3 ARG 18 3HD ARG 18 7.465 0.249 14.417 169 HE ARG 18 HE ARG 18 6.623 0.527 17.112 170 HH11 ARG 18 1HH1 ARG 18 6.414 2.035 13.982 171 HH12 ARG 18 2HH1 ARG 18 4.886 2.787 14.301 172 HH21 ARG 18 1HH2 ARG 18 4.611 1.511 17.545 173 HH22 ARG 18 2HH2 ARG 18 3.862 2.488 16.328 174 H CYS 19 H CYS 19 7.436 -3.364 17.906 175 HA CYS 19 HA CYS 19 7.547 -3.865 20.121 176 HB2 CYS 19 2HB CYS 19 9.193 -5.662 18.919 177 HB3 CYS 19 3HB CYS 19 10.313 -4.894 20.037 178 HG CYS 19 HG CYS 19 9.453 -6.000 22.215 Start of MODEL 9 1 H1 PHE 1 H PHE 1 4.650 -1.677 -5.770 2 HA PHE 1 HA PHE 1 3.156 -0.480 -4.062 3 HB2 PHE 1 2HB PHE 1 2.566 -3.238 -5.121 4 HB3 PHE 1 3HB PHE 1 1.377 -2.326 -4.197 5 HD1 PHE 1 HD1 PHE 1 2.392 -3.129 -7.396 6 HD2 PHE 1 HD2 PHE 1 1.138 0.212 -5.075 7 HE1 PHE 1 HE1 PHE 1 1.696 -1.967 -9.450 8 HE2 PHE 1 HE2 PHE 1 0.439 1.378 -7.126 9 HZ PHE 1 HZ PHE 1 0.717 0.289 -9.317 10 H LEU 2 H LEU 2 4.786 -3.444 -3.220 11 HA LEU 2 HA LEU 2 5.084 -4.550 -1.254 12 HB2 LEU 2 2HB LEU 2 4.814 -1.696 -0.480 13 HB3 LEU 2 3HB LEU 2 4.786 -2.902 0.805 14 HG LEU 2 HG LEU 2 7.018 -2.818 -1.199 15 HD11 LEU 2 1HD1 LEU 2 6.841 -1.259 1.375 16 HD12 LEU 2 2HD1 LEU 2 6.878 -0.583 -0.254 17 HD13 LEU 2 3HD1 LEU 2 8.284 -1.440 0.378 18 HD21 LEU 2 1HD2 LEU 2 8.248 -3.865 0.659 19 HD22 LEU 2 2HD2 LEU 2 6.845 -4.812 0.164 20 HD23 LEU 2 3HD2 LEU 2 6.777 -3.834 1.630 21 HA PRO 3 HA PRO 3 0.489 -4.981 -0.672 22 HB2 PRO 3 2HB PRO 3 0.418 -7.622 -1.297 23 HB3 PRO 3 3HB PRO 3 0.295 -6.344 -2.511 24 HG2 PRO 3 2HG PRO 3 2.673 -7.978 -1.714 25 HG3 PRO 3 3HG PRO 3 2.128 -7.513 -3.336 26 HD2 PRO 3 2HD PRO 3 4.139 -6.233 -2.053 27 HD3 PRO 3 3HD PRO 3 3.043 -5.404 -3.176 28 H LYS 4 H LYS 4 -0.636 -6.611 0.752 29 HA LYS 4 HA LYS 4 1.163 -7.481 2.920 30 HB2 LYS 4 2HB LYS 4 -1.209 -7.219 4.189 31 HB3 LYS 4 3HB LYS 4 -0.003 -5.941 4.100 32 HG2 LYS 4 2HG LYS 4 -1.197 -4.729 2.563 33 HG3 LYS 4 3HG LYS 4 -2.046 -6.148 1.943 34 HD2 LYS 4 2HD LYS 4 -3.569 -4.733 3.201 35 HD3 LYS 4 3HD LYS 4 -3.334 -6.273 4.033 36 HE2 LYS 4 2HE LYS 4 -1.827 -5.263 5.600 37 HE3 LYS 4 3HE LYS 4 -1.825 -3.749 4.696 38 HZ1 LYS 4 1HZ LYS 4 -4.201 -4.922 6.038 39 HZ2 LYS 4 2HZ LYS 4 -4.136 -3.431 5.241 40 HZ3 LYS 4 3HZ LYS 4 -3.255 -3.668 6.666 41 H LEU 5 H LEU 5 0.402 -9.071 0.656 42 HA LEU 5 HA LEU 5 -1.711 -10.766 0.883 43 HB2 LEU 5 2HB LEU 5 -0.541 -12.303 -0.409 44 HB3 LEU 5 3HB LEU 5 0.196 -10.755 -0.816 45 HG LEU 5 HG LEU 5 1.392 -12.671 1.176 46 HD11 LEU 5 1HD1 LEU 5 2.717 -12.479 -1.401 47 HD12 LEU 5 2HD1 LEU 5 1.106 -13.187 -1.515 48 HD13 LEU 5 3HD1 LEU 5 2.309 -13.899 -0.439 49 HD21 LEU 5 1HD2 LEU 5 3.360 -11.148 -0.034 50 HD22 LEU 5 2HD2 LEU 5 2.690 -10.906 1.580 51 HD23 LEU 5 3HD2 LEU 5 2.031 -10.013 0.208 52 H PHE 6 H PHE 6 1.214 -10.769 2.826 53 HA PHE 6 HA PHE 6 0.001 -12.848 4.527 54 HB2 PHE 6 2HB PHE 6 2.251 -13.275 3.145 55 HB3 PHE 6 3HB PHE 6 2.954 -12.486 4.553 56 HD1 PHE 6 HD1 PHE 6 3.409 -13.712 6.463 57 HD2 PHE 6 HD2 PHE 6 0.682 -15.265 3.587 58 HE1 PHE 6 HE1 PHE 6 3.322 -15.838 7.698 59 HE2 PHE 6 HE2 PHE 6 0.591 -17.393 4.818 60 HZ PHE 6 HZ PHE 6 1.911 -17.682 6.877 61 H ALA 7 H ALA 7 1.053 -9.674 4.301 62 HA ALA 7 HA ALA 7 2.014 -9.274 6.954 63 HB1 ALA 7 1HB ALA 7 2.059 -7.790 4.679 64 HB2 ALA 7 2HB ALA 7 0.816 -6.957 5.614 65 HB3 ALA 7 3HB ALA 7 2.431 -7.172 6.289 66 H LYS 8 H LYS 8 -1.135 -9.314 5.470 67 HA LYS 8 HA LYS 8 -2.424 -8.121 7.784 68 HB2 LYS 8 2HB LYS 8 -4.513 -8.481 6.498 69 HB3 LYS 8 3HB LYS 8 -3.313 -7.552 5.609 70 HG2 LYS 8 2HG LYS 8 -3.319 -9.017 3.949 71 HG3 LYS 8 3HG LYS 8 -3.013 -10.356 5.058 72 HD2 LYS 8 2HD LYS 8 -5.165 -10.990 5.064 73 HD3 LYS 8 3HD LYS 8 -5.749 -9.328 5.174 74 HE2 LYS 8 2HE LYS 8 -5.544 -9.019 2.822 75 HE3 LYS 8 3HE LYS 8 -4.668 -10.538 2.637 76 HZ1 LYS 8 1HZ LYS 8 -7.476 -10.357 3.578 77 HZ2 LYS 8 2HZ LYS 8 -6.626 -11.759 3.165 78 HZ3 LYS 8 3HZ LYS 8 -7.039 -10.638 1.968 79 H ILE 9 H ILE 9 -1.927 -11.275 6.349 80 HA ILE 9 HA ILE 9 -3.813 -12.645 8.004 81 HB ILE 9 HB ILE 9 -3.107 -14.617 7.008 82 HG12 ILE 9 2HG1 ILE 9 -0.755 -14.475 5.726 83 HG13 ILE 9 3HG1 ILE 9 -0.442 -13.300 6.999 84 HG21 ILE 9 1HG2 ILE 9 -2.094 -12.992 4.768 85 HG22 ILE 9 2HG2 ILE 9 -3.409 -14.165 4.818 86 HG23 ILE 9 3HG2 ILE 9 -3.668 -12.525 5.411 87 HD11 ILE 9 1HD1 ILE 9 -0.680 -16.218 7.133 88 HD12 ILE 9 2HD1 ILE 9 0.250 -15.101 8.133 89 HD13 ILE 9 3HD1 ILE 9 -1.471 -15.337 8.440 90 H THR 10 H THR 10 -0.496 -11.681 8.326 91 HA THR 10 HA THR 10 0.029 -13.455 10.553 92 HB THR 10 HB THR 10 2.179 -12.108 10.717 93 HG1 THR 10 HG1 THR 10 1.084 -10.328 9.415 94 HG21 THR 10 1HG2 THR 10 1.542 -13.459 8.091 95 HG22 THR 10 2HG2 THR 10 2.081 -14.260 9.567 96 HG23 THR 10 3HG2 THR 10 3.160 -13.151 8.721 97 H LYS 11 H LYS 11 -0.565 -13.035 12.566 98 HA LYS 11 HA LYS 11 -0.886 -10.221 13.385 99 HB2 LYS 11 2HB LYS 11 -2.596 -11.127 15.026 100 HB3 LYS 11 3HB LYS 11 -3.070 -11.132 13.332 101 HG2 LYS 11 2HG LYS 11 -1.815 -13.579 14.463 102 HG3 LYS 11 3HG LYS 11 -3.491 -13.212 14.876 103 HD2 LYS 11 2HD LYS 11 -3.725 -12.859 12.287 104 HD3 LYS 11 3HD LYS 11 -2.286 -13.880 12.228 105 HE2 LYS 11 2HE LYS 11 -3.904 -15.488 12.125 106 HE3 LYS 11 3HE LYS 11 -3.711 -15.375 13.873 107 HZ1 LYS 11 1HZ LYS 11 -5.662 -14.143 14.081 108 HZ2 LYS 11 2HZ LYS 11 -6.060 -15.335 12.949 109 HZ3 LYS 11 3HZ LYS 11 -5.724 -13.759 12.434 110 H LYS 12 H LYS 12 1.336 -12.331 13.597 111 HA LYS 12 HA LYS 12 1.730 -12.085 16.508 112 HB2 LYS 12 2HB LYS 12 3.398 -14.108 15.878 113 HB3 LYS 12 3HB LYS 12 1.736 -14.349 16.401 114 HG2 LYS 12 2HG LYS 12 2.278 -13.994 13.499 115 HG3 LYS 12 3HG LYS 12 2.678 -15.535 14.260 116 HD2 LYS 12 2HD LYS 12 0.005 -14.380 14.830 117 HD3 LYS 12 3HD LYS 12 0.279 -15.037 13.215 118 HE2 LYS 12 2HE LYS 12 0.317 -17.159 13.955 119 HE3 LYS 12 3HE LYS 12 1.240 -16.742 15.398 120 HZ1 LYS 12 1HZ LYS 12 -1.249 -17.533 15.534 121 HZ2 LYS 12 2HZ LYS 12 -1.555 -15.890 15.275 122 HZ3 LYS 12 3HZ LYS 12 -0.632 -16.379 16.606 123 H ASN 13 H ASN 13 3.914 -13.028 13.874 124 HA ASN 13 HA ASN 13 6.163 -11.753 14.826 125 HB2 ASN 13 2HB ASN 13 5.328 -12.949 12.313 126 HB3 ASN 13 3HB ASN 13 6.410 -11.584 12.052 127 HD21 ASN 13 1HD2 ASN 13 8.497 -11.641 12.981 128 HD22 ASN 13 2HD2 ASN 13 9.241 -13.143 13.397 129 H MET 14 H MET 14 3.453 -10.409 13.109 130 HA MET 14 HA MET 14 4.589 -8.022 12.190 131 HB2 MET 14 2HB MET 14 2.312 -8.934 11.613 132 HB3 MET 14 3HB MET 14 1.756 -8.359 13.179 133 HG2 MET 14 2HG MET 14 1.284 -6.427 12.216 134 HG3 MET 14 3HG MET 14 3.016 -6.168 12.021 135 HE1 MET 14 1HE MET 14 4.251 -7.599 9.759 136 HE2 MET 14 2HE MET 14 3.734 -6.624 8.384 137 HE3 MET 14 3HE MET 14 4.140 -5.845 9.914 138 H ALA 15 H ALA 15 2.799 -8.644 15.210 139 HA ALA 15 HA ALA 15 3.379 -6.046 16.269 140 HB1 ALA 15 1HB ALA 15 1.549 -6.636 17.394 141 HB2 ALA 15 2HB ALA 15 1.785 -8.347 17.035 142 HB3 ALA 15 3HB ALA 15 2.611 -7.613 18.410 143 H HIS 16 H HIS 16 5.337 -8.608 15.773 144 HA HIS 16 HA HIS 16 6.872 -8.230 18.250 145 HB2 HIS 16 2HB HIS 16 6.308 -10.517 16.602 146 HB3 HIS 16 3HB HIS 16 8.049 -10.263 16.680 147 HD1 HIS 16 HD1 HIS 16 9.216 -10.856 18.839 148 HD2 HIS 16 HD2 HIS 16 5.075 -11.008 19.142 149 HE1 HIS 16 HE1 HIS 16 8.743 -11.922 21.067 150 H ILE 17 H ILE 17 6.828 -7.468 14.928 151 HA ILE 17 HA ILE 17 9.494 -7.347 14.216 152 HB ILE 17 HB ILE 17 8.910 -5.668 12.598 153 HG12 ILE 17 2HG1 ILE 17 6.560 -5.203 14.413 154 HG13 ILE 17 3HG1 ILE 17 7.706 -4.032 13.770 155 HG21 ILE 17 1HG2 ILE 17 6.427 -7.328 12.847 156 HG22 ILE 17 2HG2 ILE 17 7.294 -6.839 11.392 157 HG23 ILE 17 3HG2 ILE 17 7.985 -8.060 12.462 158 HD11 ILE 17 1HD1 ILE 17 6.729 -4.434 11.514 159 HD12 ILE 17 2HD1 ILE 17 5.491 -5.422 12.291 160 HD13 ILE 17 3HD1 ILE 17 5.622 -3.706 12.678 161 H ARG 18 H ARG 18 7.598 -5.041 16.103 162 HA ARG 18 HA ARG 18 9.925 -3.309 16.422 163 HB2 ARG 18 2HB ARG 18 7.431 -2.574 16.037 164 HB3 ARG 18 3HB ARG 18 7.301 -2.816 17.773 165 HG2 ARG 18 2HG ARG 18 8.733 -1.077 18.261 166 HG3 ARG 18 3HG ARG 18 9.508 -1.135 16.676 167 HD2 ARG 18 2HD ARG 18 8.206 0.594 16.133 168 HD3 ARG 18 3HD ARG 18 6.880 -0.567 16.076 169 HE ARG 18 HE ARG 18 6.055 0.320 18.024 170 HH11 ARG 18 1HH1 ARG 18 9.303 1.464 17.512 171 HH12 ARG 18 2HH1 ARG 18 9.236 2.626 18.796 172 HH21 ARG 18 1HH2 ARG 18 5.954 1.846 19.717 173 HH22 ARG 18 2HH2 ARG 18 7.331 2.842 20.050 174 H CYS 19 H CYS 19 7.452 -4.367 18.753 175 HA CYS 19 HA CYS 19 7.600 -5.011 20.930 176 HB2 CYS 19 2HB CYS 19 8.691 -6.964 19.801 177 HB3 CYS 19 3HB CYS 19 10.250 -6.206 20.101 178 HG CYS 19 HG CYS 19 9.094 -6.161 23.003 Start of MODEL 10 1 H1 PHE 1 H PHE 1 2.921 -7.548 -7.386 2 HA PHE 1 HA PHE 1 1.494 -7.887 -5.511 3 HB2 PHE 1 2HB PHE 1 4.387 -8.024 -4.646 4 HB3 PHE 1 3HB PHE 1 3.052 -8.679 -3.703 5 HD1 PHE 1 HD1 PHE 1 5.598 -9.627 -5.728 6 HD2 PHE 1 HD2 PHE 1 1.383 -10.116 -5.391 7 HE1 PHE 1 HE1 PHE 1 5.744 -11.731 -6.996 8 HE2 PHE 1 HE2 PHE 1 1.522 -12.220 -6.657 9 HZ PHE 1 HZ PHE 1 3.705 -13.031 -7.461 10 H LEU 2 H LEU 2 0.658 -7.152 -3.555 11 HA LEU 2 HA LEU 2 0.783 -4.379 -3.104 12 HB2 LEU 2 2HB LEU 2 -0.599 -6.673 -1.980 13 HB3 LEU 2 3HB LEU 2 -0.195 -5.471 -0.757 14 HG LEU 2 HG LEU 2 -1.288 -3.858 -2.591 15 HD11 LEU 2 1HD1 LEU 2 -1.705 -6.090 -3.922 16 HD12 LEU 2 2HD1 LEU 2 -2.902 -4.796 -3.908 17 HD13 LEU 2 3HD1 LEU 2 -3.107 -6.196 -2.856 18 HD21 LEU 2 1HD2 LEU 2 -2.582 -5.478 -0.421 19 HD22 LEU 2 2HD2 LEU 2 -3.474 -4.254 -1.325 20 HD23 LEU 2 3HD2 LEU 2 -2.056 -3.795 -0.381 21 HA PRO 3 HA PRO 3 4.121 -3.769 -0.324 22 HB2 PRO 3 2HB PRO 3 3.100 -1.971 1.435 23 HB3 PRO 3 3HB PRO 3 3.517 -1.554 -0.231 24 HG2 PRO 3 2HG PRO 3 0.842 -2.197 0.948 25 HG3 PRO 3 3HG PRO 3 1.280 -0.921 -0.203 26 HD2 PRO 3 2HD PRO 3 0.110 -3.238 -0.974 27 HD3 PRO 3 3HD PRO 3 1.262 -2.362 -2.002 28 H LYS 4 H LYS 4 1.015 -4.580 1.120 29 HA LYS 4 HA LYS 4 2.447 -5.841 3.366 30 HB2 LYS 4 2HB LYS 4 -0.063 -5.609 4.331 31 HB3 LYS 4 3HB LYS 4 1.189 -4.399 4.577 32 HG2 LYS 4 2HG LYS 4 0.263 -2.933 3.079 33 HG3 LYS 4 3HG LYS 4 -0.536 -4.209 2.159 34 HD2 LYS 4 2HD LYS 4 -2.170 -2.889 3.387 35 HD3 LYS 4 3HD LYS 4 -2.116 -4.540 4.009 36 HE2 LYS 4 2HE LYS 4 -1.479 -3.856 6.036 37 HE3 LYS 4 3HE LYS 4 -0.249 -2.781 5.372 38 HZ1 LYS 4 1HZ LYS 4 -2.364 -1.888 6.659 39 HZ2 LYS 4 2HZ LYS 4 -3.029 -1.940 5.105 40 HZ3 LYS 4 3HZ LYS 4 -1.642 -1.017 5.401 41 H LEU 5 H LEU 5 1.926 -7.046 0.800 42 HA LEU 5 HA LEU 5 -0.265 -8.634 0.521 43 HB2 LEU 5 2HB LEU 5 1.034 -10.103 -0.780 44 HB3 LEU 5 3HB LEU 5 1.757 -8.508 -0.972 45 HG LEU 5 HG LEU 5 2.841 -10.570 0.935 46 HD11 LEU 5 1HD1 LEU 5 2.743 -11.029 -1.710 47 HD12 LEU 5 2HD1 LEU 5 4.070 -11.558 -0.676 48 HD13 LEU 5 3HD1 LEU 5 4.225 -10.077 -1.621 49 HD21 LEU 5 1HD2 LEU 5 3.937 -8.032 -0.264 50 HD22 LEU 5 2HD2 LEU 5 4.902 -9.194 0.647 51 HD23 LEU 5 3HD2 LEU 5 3.568 -8.346 1.432 52 H PHE 6 H PHE 6 2.383 -9.068 2.783 53 HA PHE 6 HA PHE 6 0.892 -11.299 3.999 54 HB2 PHE 6 2HB PHE 6 3.281 -11.648 2.842 55 HB3 PHE 6 3HB PHE 6 3.828 -11.122 4.430 56 HD1 PHE 6 HD1 PHE 6 3.974 -12.641 6.172 57 HD2 PHE 6 HD2 PHE 6 1.597 -13.587 2.770 58 HE1 PHE 6 HE1 PHE 6 3.642 -14.919 7.041 59 HE2 PHE 6 HE2 PHE 6 1.261 -15.866 3.634 60 HZ PHE 6 HZ PHE 6 2.283 -16.534 5.773 61 H ALA 7 H ALA 7 2.053 -8.187 4.368 62 HA ALA 7 HA ALA 7 2.722 -8.214 7.138 63 HB1 ALA 7 1HB ALA 7 3.085 -6.427 5.142 64 HB2 ALA 7 2HB ALA 7 1.734 -5.689 6.002 65 HB3 ALA 7 3HB ALA 7 3.235 -6.042 6.856 66 H LYS 8 H LYS 8 -0.242 -7.851 5.330 67 HA LYS 8 HA LYS 8 -1.748 -6.982 7.653 68 HB2 LYS 8 2HB LYS 8 -3.697 -7.104 6.084 69 HB3 LYS 8 3HB LYS 8 -2.411 -6.025 5.560 70 HG2 LYS 8 2HG LYS 8 -2.119 -7.154 3.673 71 HG3 LYS 8 3HG LYS 8 -2.033 -8.697 4.527 72 HD2 LYS 8 2HD LYS 8 -4.577 -7.248 3.792 73 HD3 LYS 8 3HD LYS 8 -3.894 -8.618 2.914 74 HE2 LYS 8 2HE LYS 8 -5.153 -9.896 4.244 75 HE3 LYS 8 3HE LYS 8 -3.978 -9.528 5.506 76 HZ1 LYS 8 1HZ LYS 8 -5.617 -8.583 6.630 77 HZ2 LYS 8 2HZ LYS 8 -6.701 -8.788 5.348 78 HZ3 LYS 8 3HZ LYS 8 -5.741 -7.397 5.430 79 H ILE 9 H ILE 9 -1.238 -9.895 5.763 80 HA ILE 9 HA ILE 9 -3.325 -11.411 6.970 81 HB ILE 9 HB ILE 9 -2.546 -13.248 5.780 82 HG12 ILE 9 2HG1 ILE 9 -0.057 -13.002 4.808 83 HG13 ILE 9 3HG1 ILE 9 0.127 -12.046 6.274 84 HG21 ILE 9 1HG2 ILE 9 -1.243 -11.360 3.936 85 HG22 ILE 9 2HG2 ILE 9 -2.594 -12.460 3.670 86 HG23 ILE 9 3HG2 ILE 9 -2.863 -10.912 4.470 87 HD11 ILE 9 1HD1 ILE 9 0.669 -14.040 7.152 88 HD12 ILE 9 2HD1 ILE 9 -1.081 -14.214 7.289 89 HD13 ILE 9 3HD1 ILE 9 -0.226 -14.944 5.931 90 H THR 10 H THR 10 -0.050 -10.664 7.834 91 HA THR 10 HA THR 10 0.138 -12.775 9.808 92 HB THR 10 HB THR 10 2.291 -11.578 10.432 93 HG1 THR 10 HG1 THR 10 3.005 -10.058 8.815 94 HG21 THR 10 1HG2 THR 10 2.276 -13.521 8.957 95 HG22 THR 10 2HG2 THR 10 3.480 -12.349 8.423 96 HG23 THR 10 3HG2 THR 10 1.942 -12.483 7.572 97 H LYS 11 H LYS 11 -0.688 -12.630 11.778 98 HA LYS 11 HA LYS 11 -1.027 -9.957 12.973 99 HB2 LYS 11 2HB LYS 11 -2.939 -11.074 14.263 100 HB3 LYS 11 3HB LYS 11 -3.218 -10.699 12.567 101 HG2 LYS 11 2HG LYS 11 -4.095 -12.849 12.898 102 HG3 LYS 11 3HG LYS 11 -2.556 -13.090 12.068 103 HD2 LYS 11 2HD LYS 11 -1.493 -13.831 14.028 104 HD3 LYS 11 3HD LYS 11 -2.774 -13.197 15.063 105 HE2 LYS 11 2HE LYS 11 -3.291 -15.430 15.075 106 HE3 LYS 11 3HE LYS 11 -4.264 -14.882 13.710 107 HZ1 LYS 11 1HZ LYS 11 -2.894 -16.953 13.360 108 HZ2 LYS 11 2HZ LYS 11 -1.528 -15.957 13.367 109 HZ3 LYS 11 3HZ LYS 11 -2.722 -15.745 12.189 110 H LYS 12 H LYS 12 1.101 -12.155 13.124 111 HA LYS 12 HA LYS 12 1.123 -12.390 16.062 112 HB2 LYS 12 2HB LYS 12 2.847 -14.330 15.302 113 HB3 LYS 12 3HB LYS 12 1.136 -14.605 15.599 114 HG2 LYS 12 2HG LYS 12 0.631 -14.750 13.356 115 HG3 LYS 12 3HG LYS 12 2.055 -13.828 12.869 116 HD2 LYS 12 2HD LYS 12 2.294 -16.526 14.165 117 HD3 LYS 12 3HD LYS 12 2.052 -16.354 12.425 118 HE2 LYS 12 2HE LYS 12 4.234 -14.851 13.819 119 HE3 LYS 12 3HE LYS 12 4.462 -16.538 13.360 120 HZ1 LYS 12 1HZ LYS 12 3.637 -15.695 11.067 121 HZ2 LYS 12 2HZ LYS 12 5.245 -15.435 11.525 122 HZ3 LYS 12 3HZ LYS 12 4.119 -14.178 11.642 123 H ASN 13 H ASN 13 3.623 -12.962 13.609 124 HA ASN 13 HA ASN 13 5.738 -11.921 15.036 125 HB2 ASN 13 2HB ASN 13 5.235 -12.698 12.287 126 HB3 ASN 13 3HB ASN 13 6.333 -11.323 12.369 127 HD21 ASN 13 1HD2 ASN 13 8.334 -12.004 12.196 128 HD22 ASN 13 2HD2 ASN 13 9.013 -13.384 12.985 129 H MET 14 H MET 14 3.286 -10.244 13.228 130 HA MET 14 HA MET 14 4.551 -7.777 12.851 131 HB2 MET 14 2HB MET 14 2.356 -8.519 11.859 132 HB3 MET 14 3HB MET 14 1.613 -8.181 13.416 133 HG2 MET 14 2HG MET 14 1.286 -6.108 12.725 134 HG3 MET 14 3HG MET 14 3.031 -5.874 12.787 135 HE1 MET 14 1HE MET 14 3.780 -4.518 9.876 136 HE2 MET 14 2HE MET 14 2.123 -3.922 9.965 137 HE3 MET 14 3HE MET 14 3.056 -4.158 11.443 138 H ALA 15 H ALA 15 2.388 -8.812 15.489 139 HA ALA 15 HA ALA 15 2.855 -6.431 17.013 140 HB1 ALA 15 1HB ALA 15 1.481 -7.449 18.705 141 HB2 ALA 15 2HB ALA 15 0.747 -7.729 17.125 142 HB3 ALA 15 3HB ALA 15 1.628 -9.027 17.931 143 H HIS 16 H HIS 16 4.835 -8.941 16.359 144 HA HIS 16 HA HIS 16 6.049 -9.002 19.034 145 HB2 HIS 16 2HB HIS 16 5.675 -10.985 16.986 146 HB3 HIS 16 3HB HIS 16 7.394 -10.798 17.317 147 HD1 HIS 16 HD1 HIS 16 8.183 -12.336 19.068 148 HD2 HIS 16 HD2 HIS 16 4.217 -11.249 19.659 149 HE1 HIS 16 HE1 HIS 16 7.446 -13.577 21.128 150 H ILE 17 H ILE 17 6.432 -7.727 15.897 151 HA ILE 17 HA ILE 17 9.167 -7.576 15.546 152 HB ILE 17 HB ILE 17 8.809 -5.648 14.156 153 HG12 ILE 17 2HG1 ILE 17 6.254 -5.403 15.719 154 HG13 ILE 17 3HG1 ILE 17 7.484 -4.180 15.418 155 HG21 ILE 17 1HG2 ILE 17 7.347 -6.567 12.590 156 HG22 ILE 17 2HG2 ILE 17 7.885 -7.959 13.529 157 HG23 ILE 17 3HG2 ILE 17 6.298 -7.251 13.831 158 HD11 ILE 17 1HD1 ILE 17 5.459 -5.253 13.475 159 HD12 ILE 17 2HD1 ILE 17 5.561 -3.623 14.142 160 HD13 ILE 17 3HD1 ILE 17 6.797 -4.197 13.022 161 H ARG 18 H ARG 18 7.072 -5.539 17.529 162 HA ARG 18 HA ARG 18 9.446 -4.120 18.526 163 HB2 ARG 18 2HB ARG 18 7.301 -2.943 17.567 164 HB3 ARG 18 3HB ARG 18 6.648 -3.274 19.166 165 HG2 ARG 18 2HG ARG 18 8.120 -1.843 20.213 166 HG3 ARG 18 3HG ARG 18 9.297 -1.929 18.900 167 HD2 ARG 18 2HD ARG 18 6.584 -0.681 18.557 168 HD3 ARG 18 3HD ARG 18 7.977 0.234 19.132 169 HE ARG 18 HE ARG 18 8.767 -1.027 16.799 170 HH11 ARG 18 1HH1 ARG 18 6.394 1.327 17.772 171 HH12 ARG 18 2HH1 ARG 18 6.386 2.144 16.244 172 HH21 ARG 18 1HH2 ARG 18 8.765 0.039 14.782 173 HH22 ARG 18 2HH2 ARG 18 7.735 1.409 14.544 174 H CYS 19 H CYS 19 6.284 -4.889 19.970 175 HA CYS 19 HA CYS 19 5.705 -5.744 21.995 176 HB2 CYS 19 2HB CYS 19 7.827 -7.407 20.989 177 HB3 CYS 19 3HB CYS 19 7.936 -7.305 22.742 178 HG CYS 19 HG CYS 19 6.493 -9.616 21.795 Start of MODEL 11 1 H1 PHE 1 H PHE 1 2.365 -3.029 -5.998 2 HA PHE 1 HA PHE 1 4.574 -3.634 -5.910 3 HB2 PHE 1 2HB PHE 1 4.675 -1.232 -4.073 4 HB3 PHE 1 3HB PHE 1 6.018 -1.896 -4.997 5 HD1 PHE 1 HD1 PHE 1 5.902 -1.825 -7.514 6 HD2 PHE 1 HD2 PHE 1 3.217 0.335 -5.015 7 HE1 PHE 1 HE1 PHE 1 5.329 -0.357 -9.404 8 HE2 PHE 1 HE2 PHE 1 2.639 1.805 -6.901 9 HZ PHE 1 HZ PHE 1 3.694 1.460 -9.099 10 H LEU 2 H LEU 2 3.648 -2.618 -2.618 11 HA LEU 2 HA LEU 2 4.981 -5.044 -1.606 12 HB2 LEU 2 2HB LEU 2 5.020 -2.232 -0.607 13 HB3 LEU 2 3HB LEU 2 5.166 -3.559 0.544 14 HG LEU 2 HG LEU 2 7.352 -2.687 -0.042 15 HD11 LEU 2 1HD1 LEU 2 6.835 -5.206 0.264 16 HD12 LEU 2 2HD1 LEU 2 8.411 -4.717 -0.356 17 HD13 LEU 2 3HD1 LEU 2 7.174 -5.311 -1.463 18 HD21 LEU 2 1HD2 LEU 2 8.151 -2.412 -2.170 19 HD22 LEU 2 2HD2 LEU 2 6.443 -2.053 -2.425 20 HD23 LEU 2 3HD2 LEU 2 7.084 -3.640 -2.850 21 HA PRO 3 HA PRO 3 0.473 -5.092 -0.451 22 HB2 PRO 3 2HB PRO 3 0.062 -7.668 -1.201 23 HB3 PRO 3 3HB PRO 3 -0.087 -6.307 -2.319 24 HG2 PRO 3 2HG PRO 3 2.200 -8.200 -1.932 25 HG3 PRO 3 3HG PRO 3 1.502 -7.582 -3.441 26 HD2 PRO 3 2HD PRO 3 3.776 -6.577 -2.368 27 HD3 PRO 3 3HD PRO 3 2.634 -5.580 -3.291 28 H LYS 4 H LYS 4 -0.598 -6.542 1.108 29 HA LYS 4 HA LYS 4 1.360 -7.689 2.982 30 HB2 LYS 4 2HB LYS 4 -0.771 -7.443 4.545 31 HB3 LYS 4 3HB LYS 4 0.323 -6.097 4.257 32 HG2 LYS 4 2HG LYS 4 -1.199 -5.312 2.463 33 HG3 LYS 4 3HG LYS 4 -2.322 -6.598 2.911 34 HD2 LYS 4 2HD LYS 4 -1.578 -5.195 5.272 35 HD3 LYS 4 3HD LYS 4 -2.048 -4.012 4.049 36 HE2 LYS 4 2HE LYS 4 -4.207 -4.687 4.035 37 HE3 LYS 4 3HE LYS 4 -3.791 -6.380 4.301 38 HZ1 LYS 4 1HZ LYS 4 -4.323 -4.272 6.240 39 HZ2 LYS 4 2HZ LYS 4 -3.111 -5.379 6.645 40 HZ3 LYS 4 3HZ LYS 4 -4.678 -5.924 6.312 41 H LEU 5 H LEU 5 0.526 -9.228 0.802 42 HA LEU 5 HA LEU 5 -1.636 -10.862 1.006 43 HB2 LEU 5 2HB LEU 5 1.006 -11.048 -0.147 44 HB3 LEU 5 3HB LEU 5 0.442 -12.623 0.408 45 HG LEU 5 HG LEU 5 -1.728 -11.862 -0.953 46 HD11 LEU 5 1HD1 LEU 5 -1.187 -10.644 -2.927 47 HD12 LEU 5 2HD1 LEU 5 0.525 -10.607 -2.507 48 HD13 LEU 5 3HD1 LEU 5 -0.638 -9.691 -1.548 49 HD21 LEU 5 1HD2 LEU 5 -0.867 -13.181 -2.826 50 HD22 LEU 5 2HD2 LEU 5 -0.482 -13.931 -1.276 51 HD23 LEU 5 3HD2 LEU 5 0.764 -13.055 -2.167 52 H PHE 6 H PHE 6 1.315 -11.024 2.921 53 HA PHE 6 HA PHE 6 0.004 -13.031 4.634 54 HB2 PHE 6 2HB PHE 6 2.211 -13.574 3.207 55 HB3 PHE 6 3HB PHE 6 2.970 -12.868 4.630 56 HD1 PHE 6 HD1 PHE 6 3.359 -14.172 6.500 57 HD2 PHE 6 HD2 PHE 6 0.504 -15.460 3.618 58 HE1 PHE 6 HE1 PHE 6 3.136 -16.317 7.685 59 HE2 PHE 6 HE2 PHE 6 0.276 -17.607 4.799 60 HZ PHE 6 HZ PHE 6 1.592 -18.037 6.835 61 H ALA 7 H ALA 7 1.202 -9.923 4.407 62 HA ALA 7 HA ALA 7 2.261 -9.593 7.035 63 HB1 ALA 7 1HB ALA 7 1.178 -7.178 5.827 64 HB2 ALA 7 2HB ALA 7 2.830 -7.560 6.314 65 HB3 ALA 7 3HB ALA 7 2.234 -8.078 4.737 66 H LYS 8 H LYS 8 -0.924 -9.446 5.630 67 HA LYS 8 HA LYS 8 -2.085 -8.214 7.991 68 HB2 LYS 8 2HB LYS 8 -4.221 -8.430 6.756 69 HB3 LYS 8 3HB LYS 8 -2.991 -7.569 5.840 70 HG2 LYS 8 2HG LYS 8 -3.160 -9.006 4.167 71 HG3 LYS 8 3HG LYS 8 -2.855 -10.368 5.248 72 HD2 LYS 8 2HD LYS 8 -4.965 -10.814 4.337 73 HD3 LYS 8 3HD LYS 8 -5.315 -10.134 5.928 74 HE2 LYS 8 2HE LYS 8 -5.106 -8.143 3.792 75 HE3 LYS 8 3HE LYS 8 -6.419 -9.299 3.570 76 HZ1 LYS 8 1HZ LYS 8 -6.956 -8.757 6.005 77 HZ2 LYS 8 2HZ LYS 8 -7.380 -7.628 4.820 78 HZ3 LYS 8 3HZ LYS 8 -6.002 -7.380 5.769 79 H ILE 9 H ILE 9 -1.812 -11.370 6.499 80 HA ILE 9 HA ILE 9 -3.729 -12.657 8.180 81 HB ILE 9 HB ILE 9 -3.140 -14.657 7.156 82 HG12 ILE 9 2HG1 ILE 9 -0.824 -14.608 5.805 83 HG13 ILE 9 3HG1 ILE 9 -0.419 -13.460 7.077 84 HG21 ILE 9 1HG2 ILE 9 -3.638 -12.511 5.596 85 HG22 ILE 9 2HG2 ILE 9 -2.120 -13.072 4.896 86 HG23 ILE 9 3HG2 ILE 9 -3.504 -14.161 4.988 87 HD11 ILE 9 1HD1 ILE 9 0.244 -15.325 8.138 88 HD12 ILE 9 2HD1 ILE 9 -1.466 -15.434 8.559 89 HD13 ILE 9 3HD1 ILE 9 -0.829 -16.369 7.206 90 H THR 10 H THR 10 -0.356 -11.884 8.443 91 HA THR 10 HA THR 10 0.107 -13.707 10.646 92 HB THR 10 HB THR 10 2.340 -12.510 10.772 93 HG1 THR 10 HG1 THR 10 2.776 -11.302 8.755 94 HG21 THR 10 1HG2 THR 10 1.561 -13.757 8.133 95 HG22 THR 10 2HG2 THR 10 2.070 -14.626 9.580 96 HG23 THR 10 3HG2 THR 10 3.207 -13.575 8.737 97 H LYS 11 H LYS 11 -0.395 -13.266 12.680 98 HA LYS 11 HA LYS 11 -0.567 -10.442 13.510 99 HB2 LYS 11 2HB LYS 11 -2.226 -11.321 15.239 100 HB3 LYS 11 3HB LYS 11 -2.780 -11.248 13.572 101 HG2 LYS 11 2HG LYS 11 -1.581 -13.785 14.555 102 HG3 LYS 11 3HG LYS 11 -3.215 -13.360 15.072 103 HD2 LYS 11 2HD LYS 11 -3.588 -12.914 12.522 104 HD3 LYS 11 3HD LYS 11 -2.183 -13.966 12.334 105 HE2 LYS 11 2HE LYS 11 -3.302 -15.813 13.037 106 HE3 LYS 11 3HE LYS 11 -4.320 -14.904 14.152 107 HZ1 LYS 11 1HZ LYS 11 -4.770 -15.581 11.374 108 HZ2 LYS 11 2HZ LYS 11 -5.179 -13.994 11.791 109 HZ3 LYS 11 3HZ LYS 11 -5.885 -15.292 12.614 110 H LYS 12 H LYS 12 1.557 -12.688 13.646 111 HA LYS 12 HA LYS 12 1.996 -12.665 16.550 112 HB2 LYS 12 2HB LYS 12 3.859 -14.247 14.945 113 HB3 LYS 12 3HB LYS 12 2.922 -14.707 16.361 114 HG2 LYS 12 2HG LYS 12 0.921 -14.837 14.790 115 HG3 LYS 12 3HG LYS 12 2.100 -14.768 13.478 116 HD2 LYS 12 2HD LYS 12 2.935 -16.846 13.938 117 HD3 LYS 12 3HD LYS 12 2.559 -16.735 15.659 118 HE2 LYS 12 2HE LYS 12 1.146 -18.391 14.573 119 HE3 LYS 12 3HE LYS 12 0.181 -17.034 15.152 120 HZ1 LYS 12 1HZ LYS 12 1.128 -16.793 12.427 121 HZ2 LYS 12 2HZ LYS 12 -0.396 -16.454 13.079 122 HZ3 LYS 12 3HZ LYS 12 0.020 -18.046 12.683 123 H ASN 13 H ASN 13 4.171 -12.703 13.728 124 HA ASN 13 HA ASN 13 6.232 -11.293 15.021 125 HB2 ASN 13 2HB ASN 13 5.760 -12.439 12.425 126 HB3 ASN 13 3HB ASN 13 6.481 -10.843 12.242 127 HD21 ASN 13 1HD2 ASN 13 8.405 -11.699 11.478 128 HD22 ASN 13 2HD2 ASN 13 9.529 -12.506 12.512 129 H MET 14 H MET 14 3.314 -10.228 13.600 130 HA MET 14 HA MET 14 3.997 -7.667 12.713 131 HB2 MET 14 2HB MET 14 1.800 -8.856 12.371 132 HB3 MET 14 3HB MET 14 1.388 -8.430 14.026 133 HG2 MET 14 2HG MET 14 0.556 -6.534 13.259 134 HG3 MET 14 3HG MET 14 2.196 -6.043 12.845 135 HE1 MET 14 1HE MET 14 3.297 -6.208 10.937 136 HE2 MET 14 2HE MET 14 2.780 -6.820 9.366 137 HE3 MET 14 3HE MET 14 2.362 -5.177 9.853 138 H ALA 15 H ALA 15 2.718 -8.669 15.887 139 HA ALA 15 HA ALA 15 3.097 -6.069 17.031 140 HB1 ALA 15 1HB ALA 15 1.415 -7.948 17.690 141 HB2 ALA 15 2HB ALA 15 2.747 -8.525 18.692 142 HB3 ALA 15 3HB ALA 15 2.101 -6.902 18.934 143 H HIS 16 H HIS 16 5.282 -8.319 16.132 144 HA HIS 16 HA HIS 16 7.069 -7.856 18.417 145 HB2 HIS 16 2HB HIS 16 6.586 -10.120 16.713 146 HB3 HIS 16 3HB HIS 16 8.276 -9.640 16.590 147 HD1 HIS 16 HD1 HIS 16 6.500 -12.019 18.289 148 HD2 HIS 16 HD2 HIS 16 9.067 -9.031 19.609 149 HE1 HIS 16 HE1 HIS 16 7.298 -12.770 20.552 150 H ILE 17 H ILE 17 6.492 -6.955 15.182 151 HA ILE 17 HA ILE 17 9.004 -6.449 14.151 152 HB ILE 17 HB ILE 17 8.006 -4.790 12.727 153 HG12 ILE 17 2HG1 ILE 17 5.876 -4.724 14.846 154 HG13 ILE 17 3HG1 ILE 17 6.772 -3.384 14.141 155 HG21 ILE 17 1HG2 ILE 17 7.376 -7.277 12.565 156 HG22 ILE 17 2HG2 ILE 17 5.803 -6.770 13.178 157 HG23 ILE 17 3HG2 ILE 17 6.411 -6.112 11.660 158 HD11 ILE 17 1HD1 ILE 17 4.539 -3.286 13.339 159 HD12 ILE 17 2HD1 ILE 17 5.565 -3.809 12.002 160 HD13 ILE 17 3HD1 ILE 17 4.573 -4.984 12.865 161 H ARG 18 H ARG 18 7.099 -4.504 16.401 162 HA ARG 18 HA ARG 18 8.913 -2.302 16.432 163 HB2 ARG 18 2HB ARG 18 6.388 -2.452 17.146 164 HB3 ARG 18 3HB ARG 18 7.064 -2.890 18.710 165 HG2 ARG 18 2HG ARG 18 8.014 -0.816 19.033 166 HG3 ARG 18 3HG ARG 18 8.044 -0.446 17.308 167 HD2 ARG 18 2HD ARG 18 5.674 -0.114 17.271 168 HD3 ARG 18 3HD ARG 18 5.516 -0.704 18.925 169 HE ARG 18 HE ARG 18 7.231 1.464 19.022 170 HH11 ARG 18 1HH1 ARG 18 3.929 0.843 18.113 171 HH12 ARG 18 2HH1 ARG 18 3.376 2.429 18.537 172 HH21 ARG 18 1HH2 ARG 18 6.516 3.556 19.584 173 HH22 ARG 18 2HH2 ARG 18 4.849 3.972 19.373 174 H CYS 19 H CYS 19 8.038 -4.377 19.188 175 HA CYS 19 HA CYS 19 9.265 -5.241 20.895 176 HB2 CYS 19 2HB CYS 19 10.537 -6.125 18.775 177 HB3 CYS 19 3HB CYS 19 11.780 -4.991 19.288 178 HG CYS 19 HG CYS 19 11.685 -7.975 20.147 Start of MODEL 12 1 H1 PHE 1 H PHE 1 4.824 -0.189 -3.749 2 HA PHE 1 HA PHE 1 2.419 -0.770 -4.281 3 HB2 PHE 1 2HB PHE 1 3.841 -2.686 -5.811 4 HB3 PHE 1 3HB PHE 1 2.936 -3.574 -4.589 5 HD1 PHE 1 HD1 PHE 1 2.723 -1.469 -7.554 6 HD2 PHE 1 HD2 PHE 1 0.506 -3.515 -4.552 7 HE1 PHE 1 HE1 PHE 1 0.682 -1.241 -8.910 8 HE2 PHE 1 HE2 PHE 1 -1.537 -3.291 -5.903 9 HZ PHE 1 HZ PHE 1 -1.451 -2.154 -8.086 10 H LEU 2 H LEU 2 4.995 -2.775 -2.891 11 HA LEU 2 HA LEU 2 5.203 -3.822 -0.879 12 HB2 LEU 2 2HB LEU 2 3.829 -1.257 -0.294 13 HB3 LEU 2 3HB LEU 2 3.915 -2.451 1.000 14 HG LEU 2 HG LEU 2 6.435 -2.465 0.587 15 HD11 LEU 2 1HD1 LEU 2 5.626 -0.047 -1.003 16 HD12 LEU 2 2HD1 LEU 2 6.625 -1.408 -1.510 17 HD13 LEU 2 3HD1 LEU 2 7.245 -0.252 -0.332 18 HD21 LEU 2 1HD2 LEU 2 5.984 -1.478 2.573 19 HD22 LEU 2 2HD2 LEU 2 4.786 -0.382 1.885 20 HD23 LEU 2 3HD2 LEU 2 6.506 -0.035 1.704 21 HA PRO 3 HA PRO 3 1.031 -5.826 -1.289 22 HB2 PRO 3 2HB PRO 3 2.013 -8.313 -1.763 23 HB3 PRO 3 3HB PRO 3 1.741 -7.127 -3.045 24 HG2 PRO 3 2HG PRO 3 4.286 -7.855 -1.647 25 HG3 PRO 3 3HG PRO 3 4.001 -7.569 -3.374 26 HD2 PRO 3 2HD PRO 3 5.102 -5.703 -1.750 27 HD3 PRO 3 3HD PRO 3 4.075 -5.277 -3.134 28 H LYS 4 H LYS 4 -0.010 -6.907 0.322 29 HA LYS 4 HA LYS 4 1.641 -7.875 2.564 30 HB2 LYS 4 2HB LYS 4 -0.729 -7.343 3.754 31 HB3 LYS 4 3HB LYS 4 0.602 -6.196 3.669 32 HG2 LYS 4 2HG LYS 4 -0.417 -4.920 2.058 33 HG3 LYS 4 3HG LYS 4 -1.393 -6.262 1.458 34 HD2 LYS 4 2HD LYS 4 -2.795 -4.661 2.627 35 HD3 LYS 4 3HD LYS 4 -2.735 -6.184 3.519 36 HE2 LYS 4 2HE LYS 4 -1.231 -5.284 5.120 37 HE3 LYS 4 3HE LYS 4 -0.943 -3.847 4.140 38 HZ1 LYS 4 1HZ LYS 4 -3.661 -3.923 4.567 39 HZ2 LYS 4 2HZ LYS 4 -2.549 -2.878 5.294 40 HZ3 LYS 4 3HZ LYS 4 -2.977 -4.324 6.061 41 H LEU 5 H LEU 5 0.807 -9.470 0.343 42 HA LEU 5 HA LEU 5 -1.471 -10.941 0.545 43 HB2 LEU 5 2HB LEU 5 -0.376 -12.691 -0.582 44 HB3 LEU 5 3HB LEU 5 0.406 -11.204 -1.114 45 HG LEU 5 HG LEU 5 2.057 -11.905 0.896 46 HD11 LEU 5 1HD1 LEU 5 1.171 -14.522 -0.304 47 HD12 LEU 5 2HD1 LEU 5 0.748 -13.972 1.316 48 HD13 LEU 5 3HD1 LEU 5 2.435 -14.272 0.900 49 HD21 LEU 5 1HD2 LEU 5 2.013 -12.361 -2.025 50 HD22 LEU 5 2HD2 LEU 5 3.246 -13.224 -1.106 51 HD23 LEU 5 3HD2 LEU 5 3.161 -11.464 -1.031 52 H PHE 6 H PHE 6 1.381 -11.175 2.587 53 HA PHE 6 HA PHE 6 -0.099 -13.043 4.320 54 HB2 PHE 6 2HB PHE 6 2.142 -13.748 3.030 55 HB3 PHE 6 3HB PHE 6 2.871 -12.998 4.447 56 HD1 PHE 6 HD1 PHE 6 3.128 -14.217 6.396 57 HD2 PHE 6 HD2 PHE 6 0.342 -15.540 3.463 58 HE1 PHE 6 HE1 PHE 6 2.765 -16.286 7.678 59 HE2 PHE 6 HE2 PHE 6 -0.026 -17.610 4.740 60 HZ PHE 6 HZ PHE 6 1.186 -17.985 6.851 61 H ALA 7 H ALA 7 1.279 -10.007 4.018 62 HA ALA 7 HA ALA 7 2.205 -9.606 6.684 63 HB1 ALA 7 1HB ALA 7 1.288 -7.229 5.235 64 HB2 ALA 7 2HB ALA 7 2.858 -7.588 5.953 65 HB3 ALA 7 3HB ALA 7 2.454 -8.219 4.357 66 H LYS 8 H LYS 8 -0.890 -9.382 5.106 67 HA LYS 8 HA LYS 8 -2.113 -7.979 7.336 68 HB2 LYS 8 2HB LYS 8 -4.191 -8.168 6.000 69 HB3 LYS 8 3HB LYS 8 -2.877 -7.406 5.113 70 HG2 LYS 8 2HG LYS 8 -3.003 -8.923 3.507 71 HG3 LYS 8 3HG LYS 8 -2.851 -10.242 4.671 72 HD2 LYS 8 2HD LYS 8 -4.920 -10.588 3.599 73 HD3 LYS 8 3HD LYS 8 -5.319 -9.885 5.168 74 HE2 LYS 8 2HE LYS 8 -6.339 -8.167 4.195 75 HE3 LYS 8 3HE LYS 8 -4.904 -7.804 3.237 76 HZ1 LYS 8 1HZ LYS 8 -7.311 -9.233 2.493 77 HZ2 LYS 8 2HZ LYS 8 -5.871 -9.930 1.943 78 HZ3 LYS 8 3HZ LYS 8 -6.247 -8.331 1.536 79 H ILE 9 H ILE 9 -1.906 -11.218 6.025 80 HA ILE 9 HA ILE 9 -3.965 -12.325 7.670 81 HB ILE 9 HB ILE 9 -3.442 -14.396 6.763 82 HG12 ILE 9 2HG1 ILE 9 -1.058 -14.540 5.541 83 HG13 ILE 9 3HG1 ILE 9 -0.656 -13.356 6.780 84 HG21 ILE 9 1HG2 ILE 9 -3.650 -13.994 4.554 85 HG22 ILE 9 2HG2 ILE 9 -3.745 -12.315 5.082 86 HG23 ILE 9 3HG2 ILE 9 -2.216 -12.970 4.496 87 HD11 ILE 9 1HD1 ILE 9 -1.137 -16.225 7.003 88 HD12 ILE 9 2HD1 ILE 9 -0.204 -15.141 8.035 89 HD13 ILE 9 3HD1 ILE 9 -1.952 -15.257 8.230 90 H THR 10 H THR 10 -0.577 -11.694 8.055 91 HA THR 10 HA THR 10 -0.291 -13.432 10.352 92 HB THR 10 HB THR 10 1.978 -12.306 10.537 93 HG1 THR 10 HG1 THR 10 2.375 -10.677 9.252 94 HG21 THR 10 1HG2 THR 10 1.688 -14.470 9.440 95 HG22 THR 10 2HG2 THR 10 2.900 -13.503 8.600 96 HG23 THR 10 3HG2 THR 10 1.277 -13.660 7.929 97 H LYS 11 H LYS 11 -0.882 -12.886 12.337 98 HA LYS 11 HA LYS 11 -0.940 -10.028 13.056 99 HB2 LYS 11 2HB LYS 11 -2.752 -10.815 14.728 100 HB3 LYS 11 3HB LYS 11 -3.197 -10.606 13.040 101 HG2 LYS 11 2HG LYS 11 -4.184 -12.621 13.617 102 HG3 LYS 11 3HG LYS 11 -2.694 -13.115 12.809 103 HD2 LYS 11 2HD LYS 11 -2.151 -14.286 14.619 104 HD3 LYS 11 3HD LYS 11 -2.054 -12.777 15.530 105 HE2 LYS 11 2HE LYS 11 -4.670 -13.075 15.638 106 HE3 LYS 11 3HE LYS 11 -4.263 -14.769 15.368 107 HZ1 LYS 11 1HZ LYS 11 -4.046 -14.806 17.581 108 HZ2 LYS 11 2HZ LYS 11 -3.869 -13.129 17.714 109 HZ3 LYS 11 3HZ LYS 11 -2.538 -14.090 17.305 110 H LYS 12 H LYS 12 1.094 -12.262 13.388 111 HA LYS 12 HA LYS 12 1.357 -12.096 16.319 112 HB2 LYS 12 2HB LYS 12 3.036 -14.106 15.706 113 HB3 LYS 12 3HB LYS 12 1.339 -14.354 16.095 114 HG2 LYS 12 2HG LYS 12 2.075 -13.858 13.260 115 HG3 LYS 12 3HG LYS 12 2.441 -15.434 13.964 116 HD2 LYS 12 2HD LYS 12 -0.214 -14.663 14.699 117 HD3 LYS 12 3HD LYS 12 -0.025 -14.509 12.950 118 HE2 LYS 12 2HE LYS 12 -0.672 -16.712 13.157 119 HE3 LYS 12 3HE LYS 12 1.085 -16.858 13.144 120 HZ1 LYS 12 1HZ LYS 12 0.186 -18.203 14.892 121 HZ2 LYS 12 2HZ LYS 12 -0.674 -16.897 15.535 122 HZ3 LYS 12 3HZ LYS 12 1.016 -16.905 15.591 123 H ASN 13 H ASN 13 3.683 -12.949 13.780 124 HA ASN 13 HA ASN 13 5.863 -11.687 14.933 125 HB2 ASN 13 2HB ASN 13 5.292 -13.031 12.480 126 HB3 ASN 13 3HB ASN 13 6.178 -11.556 12.105 127 HD21 ASN 13 1HD2 ASN 13 8.293 -11.716 12.136 128 HD22 ASN 13 2HD2 ASN 13 9.216 -12.883 13.013 129 H MET 14 H MET 14 3.254 -10.346 13.099 130 HA MET 14 HA MET 14 4.427 -7.984 12.168 131 HB2 MET 14 2HB MET 14 2.148 -8.882 11.571 132 HB3 MET 14 3HB MET 14 1.576 -8.276 13.119 133 HG2 MET 14 2HG MET 14 1.144 -6.351 12.125 134 HG3 MET 14 3HG MET 14 2.881 -6.119 11.940 135 HE1 MET 14 1HE MET 14 2.110 -4.488 10.119 136 HE2 MET 14 2HE MET 14 3.567 -5.241 9.471 137 HE3 MET 14 3HE MET 14 2.160 -5.005 8.433 138 H ALA 15 H ALA 15 2.586 -8.542 15.170 139 HA ALA 15 HA ALA 15 3.179 -5.933 16.199 140 HB1 ALA 15 1HB ALA 15 1.311 -6.498 17.280 141 HB2 ALA 15 2HB ALA 15 1.563 -8.220 16.992 142 HB3 ALA 15 3HB ALA 15 2.354 -7.430 18.355 143 H HIS 16 H HIS 16 5.113 -8.526 15.773 144 HA HIS 16 HA HIS 16 6.614 -8.127 18.267 145 HB2 HIS 16 2HB HIS 16 6.047 -10.434 16.649 146 HB3 HIS 16 3HB HIS 16 7.789 -10.200 16.750 147 HD1 HIS 16 HD1 HIS 16 8.793 -10.129 19.231 148 HD2 HIS 16 HD2 HIS 16 4.891 -11.512 18.881 149 HE1 HIS 16 HE1 HIS 16 8.304 -11.315 21.394 150 H ILE 17 H ILE 17 6.631 -7.419 14.933 151 HA ILE 17 HA ILE 17 9.308 -7.344 14.260 152 HB ILE 17 HB ILE 17 8.771 -5.685 12.606 153 HG12 ILE 17 2HG1 ILE 17 6.400 -5.160 14.377 154 HG13 ILE 17 3HG1 ILE 17 7.572 -4.015 13.734 155 HG21 ILE 17 1HG2 ILE 17 7.814 -8.067 12.499 156 HG22 ILE 17 2HG2 ILE 17 6.262 -7.306 12.844 157 HG23 ILE 17 3HG2 ILE 17 7.161 -6.858 11.394 158 HD11 ILE 17 1HD1 ILE 17 6.624 -4.439 11.470 159 HD12 ILE 17 2HD1 ILE 17 5.361 -5.398 12.242 160 HD13 ILE 17 3HD1 ILE 17 5.510 -3.679 12.605 161 H ARG 18 H ARG 18 7.415 -4.984 16.081 162 HA ARG 18 HA ARG 18 9.376 -2.968 16.212 163 HB2 ARG 18 2HB ARG 18 6.831 -2.968 16.869 164 HB3 ARG 18 3HB ARG 18 7.447 -3.410 18.456 165 HG2 ARG 18 2HG ARG 18 8.502 -1.384 18.762 166 HG3 ARG 18 3HG ARG 18 8.588 -1.051 17.031 167 HD2 ARG 18 2HD ARG 18 6.741 0.168 17.207 168 HD3 ARG 18 3HD ARG 18 5.858 -1.284 17.672 169 HE ARG 18 HE ARG 18 5.824 -0.524 19.828 170 HH11 ARG 18 1HH1 ARG 18 8.249 1.228 18.047 171 HH12 ARG 18 2HH1 ARG 18 8.568 2.348 19.329 172 HH21 ARG 18 1HH2 ARG 18 6.236 0.945 21.524 173 HH22 ARG 18 2HH2 ARG 18 7.424 2.185 21.307 174 H CYS 19 H CYS 19 8.328 -4.937 18.986 175 HA CYS 19 HA CYS 19 9.460 -5.771 20.772 176 HB2 CYS 19 2HB CYS 19 10.609 -6.936 18.742 177 HB3 CYS 19 3HB CYS 19 11.962 -5.876 19.118 178 HG CYS 19 HG CYS 19 12.473 -6.897 21.602 Start of MODEL 13 1 H1 PHE 1 H PHE 1 6.471 -0.524 -3.812 2 HA PHE 1 HA PHE 1 3.815 -0.825 -3.938 3 HB2 PHE 1 2HB PHE 1 5.069 -2.770 -5.717 4 HB3 PHE 1 3HB PHE 1 4.014 -3.525 -4.527 5 HD1 PHE 1 HD1 PHE 1 1.838 -3.847 -5.150 6 HD2 PHE 1 HD2 PHE 1 3.980 -0.554 -6.788 7 HE1 PHE 1 HE1 PHE 1 -0.124 -3.251 -6.509 8 HE2 PHE 1 HE2 PHE 1 2.021 0.048 -8.149 9 HZ PHE 1 HZ PHE 1 -0.035 -1.301 -8.010 10 H LEU 2 H LEU 2 2.918 -2.039 -2.223 11 HA LEU 2 HA LEU 2 4.859 -3.388 -0.475 12 HB2 LEU 2 2HB LEU 2 2.911 -1.219 0.225 13 HB3 LEU 2 3HB LEU 2 3.482 -2.361 1.440 14 HG LEU 2 HG LEU 2 5.848 -1.560 0.587 15 HD11 LEU 2 1HD1 LEU 2 5.034 1.120 0.375 16 HD12 LEU 2 2HD1 LEU 2 4.051 0.207 -0.769 17 HD13 LEU 2 3HD1 LEU 2 5.810 0.121 -0.855 18 HD21 LEU 2 1HD2 LEU 2 4.634 -1.297 2.856 19 HD22 LEU 2 2HD2 LEU 2 4.330 0.354 2.316 20 HD23 LEU 2 3HD2 LEU 2 5.987 -0.230 2.480 21 HA PRO 3 HA PRO 3 1.041 -5.954 -1.217 22 HB2 PRO 3 2HB PRO 3 2.391 -8.218 -1.866 23 HB3 PRO 3 3HB PRO 3 1.964 -6.980 -3.053 24 HG2 PRO 3 2HG PRO 3 4.568 -7.441 -1.650 25 HG3 PRO 3 3HG PRO 3 4.269 -7.053 -3.355 26 HD2 PRO 3 2HD PRO 3 5.054 -5.190 -1.553 27 HD3 PRO 3 3HD PRO 3 3.996 -4.805 -2.926 28 H LYS 4 H LYS 4 0.192 -6.601 0.652 29 HA LYS 4 HA LYS 4 1.931 -7.934 2.617 30 HB2 LYS 4 2HB LYS 4 -0.189 -7.360 4.107 31 HB3 LYS 4 3HB LYS 4 1.081 -6.179 3.813 32 HG2 LYS 4 2HG LYS 4 -0.276 -5.259 1.952 33 HG3 LYS 4 3HG LYS 4 -1.571 -6.371 2.402 34 HD2 LYS 4 2HD LYS 4 -0.710 -5.002 4.744 35 HD3 LYS 4 3HD LYS 4 -0.987 -3.808 3.473 36 HE2 LYS 4 2HE LYS 4 -3.031 -5.921 3.754 37 HE3 LYS 4 3HE LYS 4 -2.927 -4.759 5.076 38 HZ1 LYS 4 1HZ LYS 4 -4.488 -4.174 3.219 39 HZ2 LYS 4 2HZ LYS 4 -3.131 -3.938 2.237 40 HZ3 LYS 4 3HZ LYS 4 -3.355 -2.981 3.615 41 H LEU 5 H LEU 5 0.958 -9.420 0.458 42 HA LEU 5 HA LEU 5 -1.406 -10.748 0.643 43 HB2 LEU 5 2HB LEU 5 1.092 -11.197 -0.582 44 HB3 LEU 5 3HB LEU 5 0.645 -12.701 0.221 45 HG LEU 5 HG LEU 5 -1.384 -11.373 -1.504 46 HD11 LEU 5 1HD1 LEU 5 0.960 -12.946 -2.561 47 HD12 LEU 5 2HD1 LEU 5 0.611 -11.247 -2.875 48 HD13 LEU 5 3HD1 LEU 5 -0.472 -12.496 -3.487 49 HD21 LEU 5 1HD2 LEU 5 -0.622 -14.212 -0.844 50 HD22 LEU 5 2HD2 LEU 5 -1.858 -13.776 -2.025 51 HD23 LEU 5 3HD2 LEU 5 -2.063 -13.334 -0.329 52 H PHE 6 H PHE 6 1.446 -11.234 2.651 53 HA PHE 6 HA PHE 6 -0.163 -12.995 4.380 54 HB2 PHE 6 2HB PHE 6 1.989 -13.870 3.037 55 HB3 PHE 6 3HB PHE 6 2.798 -13.222 4.460 56 HD1 PHE 6 HD1 PHE 6 2.963 -14.502 6.380 57 HD2 PHE 6 HD2 PHE 6 0.040 -15.502 3.452 58 HE1 PHE 6 HE1 PHE 6 2.429 -16.559 7.620 59 HE2 PHE 6 HE2 PHE 6 -0.500 -17.560 4.688 60 HZ PHE 6 HZ PHE 6 0.695 -18.090 6.775 61 H ALA 7 H ALA 7 1.441 -10.080 4.100 62 HA ALA 7 HA ALA 7 2.464 -9.807 6.749 63 HB1 ALA 7 1HB ALA 7 2.698 -8.378 4.409 64 HB2 ALA 7 2HB ALA 7 1.743 -7.311 5.439 65 HB3 ALA 7 3HB ALA 7 3.316 -7.891 5.987 66 H LYS 8 H LYS 8 -0.635 -9.288 5.244 67 HA LYS 8 HA LYS 8 -1.686 -7.839 7.531 68 HB2 LYS 8 2HB LYS 8 -3.798 -7.813 6.238 69 HB3 LYS 8 3HB LYS 8 -2.441 -7.151 5.335 70 HG2 LYS 8 2HG LYS 8 -2.754 -8.608 3.701 71 HG3 LYS 8 3HG LYS 8 -2.661 -9.962 4.829 72 HD2 LYS 8 2HD LYS 8 -4.905 -10.178 4.953 73 HD3 LYS 8 3HD LYS 8 -5.179 -8.436 4.892 74 HE2 LYS 8 2HE LYS 8 -6.095 -9.290 2.898 75 HE3 LYS 8 3HE LYS 8 -4.554 -8.568 2.438 76 HZ1 LYS 8 1HZ LYS 8 -5.137 -10.875 1.534 77 HZ2 LYS 8 2HZ LYS 8 -4.743 -11.442 3.078 78 HZ3 LYS 8 3HZ LYS 8 -3.580 -10.636 2.152 79 H ILE 9 H ILE 9 -1.792 -11.051 6.140 80 HA ILE 9 HA ILE 9 -3.906 -12.019 7.799 81 HB ILE 9 HB ILE 9 -3.560 -14.111 6.850 82 HG12 ILE 9 2HG1 ILE 9 -1.222 -14.412 5.572 83 HG13 ILE 9 3HG1 ILE 9 -0.703 -13.286 6.821 84 HG21 ILE 9 1HG2 ILE 9 -3.796 -13.644 4.660 85 HG22 ILE 9 2HG2 ILE 9 -3.728 -11.973 5.215 86 HG23 ILE 9 3HG2 ILE 9 -2.279 -12.749 4.578 87 HD11 ILE 9 1HD1 ILE 9 -0.344 -15.148 8.004 88 HD12 ILE 9 2HD1 ILE 9 -2.083 -15.090 8.291 89 HD13 ILE 9 3HD1 ILE 9 -1.435 -16.114 7.010 90 H THR 10 H THR 10 -0.469 -11.686 8.143 91 HA THR 10 HA THR 10 -0.309 -13.481 10.410 92 HB THR 10 HB THR 10 2.059 -12.584 10.569 93 HG1 THR 10 HG1 THR 10 2.226 -10.745 9.492 94 HG21 THR 10 1HG2 THR 10 1.192 -13.805 7.945 95 HG22 THR 10 2HG2 THR 10 1.543 -14.685 9.432 96 HG23 THR 10 3HG2 THR 10 2.831 -13.820 8.594 97 H LYS 11 H LYS 11 -0.802 -12.912 12.414 98 HA LYS 11 HA LYS 11 -0.616 -10.066 13.158 99 HB2 LYS 11 2HB LYS 11 -2.423 -10.702 14.875 100 HB3 LYS 11 3HB LYS 11 -2.912 -10.519 13.196 101 HG2 LYS 11 2HG LYS 11 -3.990 -12.453 13.996 102 HG3 LYS 11 3HG LYS 11 -2.668 -13.016 12.972 103 HD2 LYS 11 2HD LYS 11 -1.677 -14.073 14.674 104 HD3 LYS 11 3HD LYS 11 -1.856 -12.679 15.742 105 HE2 LYS 11 2HE LYS 11 -3.163 -14.228 16.823 106 HE3 LYS 11 3HE LYS 11 -4.362 -13.432 15.805 107 HZ1 LYS 11 1HZ LYS 11 -4.465 -15.222 14.378 108 HZ2 LYS 11 2HZ LYS 11 -4.276 -15.989 15.873 109 HZ3 LYS 11 3HZ LYS 11 -2.952 -15.829 14.832 110 H LYS 12 H LYS 12 1.197 -12.545 13.422 111 HA LYS 12 HA LYS 12 1.533 -12.514 16.340 112 HB2 LYS 12 2HB LYS 12 3.238 -14.349 14.829 113 HB3 LYS 12 3HB LYS 12 2.209 -14.658 16.221 114 HG2 LYS 12 2HG LYS 12 0.257 -14.568 14.581 115 HG3 LYS 12 3HG LYS 12 1.480 -14.691 13.314 116 HD2 LYS 12 2HD LYS 12 0.921 -16.907 13.654 117 HD3 LYS 12 3HD LYS 12 2.327 -16.723 14.705 118 HE2 LYS 12 2HE LYS 12 -0.263 -16.090 15.946 119 HE3 LYS 12 3HE LYS 12 -0.046 -17.777 15.484 120 HZ1 LYS 12 1HZ LYS 12 0.905 -17.861 17.513 121 HZ2 LYS 12 2HZ LYS 12 1.322 -16.222 17.529 122 HZ3 LYS 12 3HZ LYS 12 2.272 -17.327 16.671 123 H ASN 13 H ASN 13 3.783 -12.883 13.601 124 HA ASN 13 HA ASN 13 5.966 -11.730 14.935 125 HB2 ASN 13 2HB ASN 13 5.415 -12.812 12.327 126 HB3 ASN 13 3HB ASN 13 6.338 -11.321 12.164 127 HD21 ASN 13 1HD2 ASN 13 8.437 -11.594 12.140 128 HD22 ASN 13 2HD2 ASN 13 9.315 -12.855 12.930 129 H MET 14 H MET 14 3.243 -10.305 13.445 130 HA MET 14 HA MET 14 4.268 -7.854 12.578 131 HB2 MET 14 2HB MET 14 1.946 -8.754 12.181 132 HB3 MET 14 3HB MET 14 1.552 -8.276 13.827 133 HG2 MET 14 2HG MET 14 0.987 -6.291 13.042 134 HG3 MET 14 3HG MET 14 2.686 -6.013 12.668 135 HE1 MET 14 1HE MET 14 2.884 -5.394 9.275 136 HE2 MET 14 2HE MET 14 3.661 -5.755 10.817 137 HE3 MET 14 3HE MET 14 3.495 -7.018 9.596 138 H ALA 15 H ALA 15 2.796 -8.679 15.718 139 HA ALA 15 HA ALA 15 3.474 -6.146 16.874 140 HB1 ALA 15 1HB ALA 15 2.897 -8.299 18.755 141 HB2 ALA 15 2HB ALA 15 2.088 -6.749 18.520 142 HB3 ALA 15 3HB ALA 15 1.679 -8.122 17.492 143 H HIS 16 H HIS 16 5.376 -8.658 16.026 144 HA HIS 16 HA HIS 16 7.152 -8.421 18.355 145 HB2 HIS 16 2HB HIS 16 6.426 -10.609 16.636 146 HB3 HIS 16 3HB HIS 16 8.166 -10.348 16.555 147 HD1 HIS 16 HD1 HIS 16 5.471 -11.551 18.802 148 HD2 HIS 16 HD2 HIS 16 9.547 -10.771 18.995 149 HE1 HIS 16 HE1 HIS 16 6.262 -12.630 20.932 150 H ILE 17 H ILE 17 6.773 -7.460 15.108 151 HA ILE 17 HA ILE 17 9.353 -7.279 14.139 152 HB ILE 17 HB ILE 17 8.609 -5.510 12.693 153 HG12 ILE 17 2HG1 ILE 17 6.454 -5.170 14.760 154 HG13 ILE 17 3HG1 ILE 17 7.530 -3.955 14.078 155 HG21 ILE 17 1HG2 ILE 17 6.162 -7.193 13.088 156 HG22 ILE 17 2HG2 ILE 17 6.884 -6.619 11.586 157 HG23 ILE 17 3HG2 ILE 17 7.673 -7.896 12.511 158 HD11 ILE 17 1HD1 ILE 17 6.331 -4.225 11.911 159 HD12 ILE 17 2HD1 ILE 17 5.178 -5.266 12.746 160 HD13 ILE 17 3HD1 ILE 17 5.347 -3.577 13.223 161 H ARG 18 H ARG 18 7.657 -5.104 16.344 162 HA ARG 18 HA ARG 18 10.143 -3.564 16.672 163 HB2 ARG 18 2HB ARG 18 7.830 -2.496 16.027 164 HB3 ARG 18 3HB ARG 18 7.507 -2.646 17.749 165 HG2 ARG 18 2HG ARG 18 9.128 -1.112 18.325 166 HG3 ARG 18 3HG ARG 18 10.027 -1.344 16.824 167 HD2 ARG 18 2HD ARG 18 9.039 0.728 16.509 168 HD3 ARG 18 3HD ARG 18 7.920 -0.362 15.691 169 HE ARG 18 HE ARG 18 7.195 0.068 18.414 170 HH11 ARG 18 1HH1 ARG 18 7.070 1.463 15.227 171 HH12 ARG 18 2HH1 ARG 18 5.654 2.406 15.553 172 HH21 ARG 18 1HH2 ARG 18 5.330 1.306 18.856 173 HH22 ARG 18 2HH2 ARG 18 4.665 2.317 17.618 174 H CYS 19 H CYS 19 7.338 -4.160 18.781 175 HA CYS 19 HA CYS 19 7.174 -4.834 20.946 176 HB2 CYS 19 2HB CYS 19 8.407 -6.829 19.930 177 HB3 CYS 19 3HB CYS 19 9.872 -6.142 20.621 178 HG CYS 19 HG CYS 19 8.570 -8.338 22.106 Start of MODEL 14 1 H1 PHE 1 H PHE 1 2.218 -1.647 -5.096 2 HA PHE 1 HA PHE 1 4.195 -3.436 -5.971 3 HB2 PHE 1 2HB PHE 1 4.431 -0.898 -4.345 4 HB3 PHE 1 3HB PHE 1 5.802 -1.754 -5.042 5 HD1 PHE 1 HD1 PHE 1 5.699 -2.165 -7.607 6 HD2 PHE 1 HD2 PHE 1 3.395 0.767 -5.555 7 HE1 PHE 1 HE1 PHE 1 5.401 -0.929 -9.714 8 HE2 PHE 1 HE2 PHE 1 3.092 2.007 -7.658 9 HZ PHE 1 HZ PHE 1 4.095 1.159 -9.742 10 H LEU 2 H LEU 2 3.189 -2.480 -2.714 11 HA LEU 2 HA LEU 2 4.690 -4.787 -1.667 12 HB2 LEU 2 2HB LEU 2 4.485 -1.992 -0.621 13 HB3 LEU 2 3HB LEU 2 4.770 -3.335 0.485 14 HG LEU 2 HG LEU 2 6.674 -3.670 -1.512 15 HD11 LEU 2 1HD1 LEU 2 7.820 -1.440 -1.467 16 HD12 LEU 2 2HD1 LEU 2 6.321 -0.759 -0.836 17 HD13 LEU 2 3HD1 LEU 2 6.345 -1.505 -2.433 18 HD21 LEU 2 1HD2 LEU 2 6.944 -4.079 0.887 19 HD22 LEU 2 2HD2 LEU 2 6.949 -2.340 1.183 20 HD23 LEU 2 3HD2 LEU 2 8.250 -3.080 0.248 21 HA PRO 3 HA PRO 3 0.163 -5.117 -0.624 22 HB2 PRO 3 2HB PRO 3 -0.078 -7.703 -1.414 23 HB3 PRO 3 3HB PRO 3 -0.283 -6.338 -2.518 24 HG2 PRO 3 2HG PRO 3 2.103 -8.098 -2.105 25 HG3 PRO 3 3HG PRO 3 1.402 -7.501 -3.621 26 HD2 PRO 3 2HD PRO 3 3.589 -6.379 -2.486 27 HD3 PRO 3 3HD PRO 3 2.409 -5.438 -3.421 28 H LYS 4 H LYS 4 -0.826 -6.480 0.987 29 HA LYS 4 HA LYS 4 1.152 -7.672 2.810 30 HB2 LYS 4 2HB LYS 4 -0.922 -7.380 4.432 31 HB3 LYS 4 3HB LYS 4 0.181 -6.050 4.102 32 HG2 LYS 4 2HG LYS 4 -1.385 -5.249 2.356 33 HG3 LYS 4 3HG LYS 4 -2.510 -6.522 2.837 34 HD2 LYS 4 2HD LYS 4 -1.680 -5.121 5.173 35 HD3 LYS 4 3HD LYS 4 -2.182 -3.939 3.962 36 HE2 LYS 4 2HE LYS 4 -3.944 -6.276 4.229 37 HE3 LYS 4 3HE LYS 4 -3.868 -5.235 5.650 38 HZ1 LYS 4 1HZ LYS 4 -4.638 -3.410 4.436 39 HZ2 LYS 4 2HZ LYS 4 -5.612 -4.692 3.918 40 HZ3 LYS 4 3HZ LYS 4 -4.343 -4.145 2.941 41 H LEU 5 H LEU 5 0.232 -9.193 0.654 42 HA LEU 5 HA LEU 5 -1.964 -10.781 0.929 43 HB2 LEU 5 2HB LEU 5 -0.887 -12.397 -0.384 44 HB3 LEU 5 3HB LEU 5 -0.182 -10.854 -0.863 45 HG LEU 5 HG LEU 5 1.617 -11.616 0.982 46 HD11 LEU 5 1HD1 LEU 5 1.994 -13.915 1.034 47 HD12 LEU 5 2HD1 LEU 5 0.920 -14.220 -0.330 48 HD13 LEU 5 3HD1 LEU 5 0.248 -13.769 1.237 49 HD21 LEU 5 1HD2 LEU 5 1.386 -11.958 -1.951 50 HD22 LEU 5 2HD2 LEU 5 2.716 -12.791 -1.145 51 HD23 LEU 5 3HD2 LEU 5 2.556 -11.040 -1.002 52 H PHE 6 H PHE 6 1.032 -10.967 2.756 53 HA PHE 6 HA PHE 6 -0.228 -12.996 4.482 54 HB2 PHE 6 2HB PHE 6 1.932 -13.535 2.996 55 HB3 PHE 6 3HB PHE 6 2.739 -12.816 4.386 56 HD1 PHE 6 HD1 PHE 6 3.197 -14.104 6.254 57 HD2 PHE 6 HD2 PHE 6 0.259 -15.431 3.475 58 HE1 PHE 6 HE1 PHE 6 3.028 -16.243 7.458 59 HE2 PHE 6 HE2 PHE 6 0.085 -17.572 4.675 60 HZ PHE 6 HZ PHE 6 1.470 -17.980 6.670 61 H ALA 7 H ALA 7 0.994 -9.887 4.247 62 HA ALA 7 HA ALA 7 2.099 -9.581 6.856 63 HB1 ALA 7 1HB ALA 7 2.669 -7.549 6.133 64 HB2 ALA 7 2HB ALA 7 2.024 -8.047 4.568 65 HB3 ALA 7 3HB ALA 7 1.007 -7.149 5.696 66 H LYS 8 H LYS 8 -1.113 -9.388 5.513 67 HA LYS 8 HA LYS 8 -2.220 -8.173 7.905 68 HB2 LYS 8 2HB LYS 8 -4.382 -8.374 6.715 69 HB3 LYS 8 3HB LYS 8 -3.167 -7.517 5.774 70 HG2 LYS 8 2HG LYS 8 -3.378 -8.951 4.103 71 HG3 LYS 8 3HG LYS 8 -3.060 -10.317 5.174 72 HD2 LYS 8 2HD LYS 8 -5.197 -10.716 4.264 73 HD3 LYS 8 3HD LYS 8 -5.489 -10.119 5.899 74 HE2 LYS 8 2HE LYS 8 -5.374 -7.863 4.211 75 HE3 LYS 8 3HE LYS 8 -6.385 -9.056 3.396 76 HZ1 LYS 8 1HZ LYS 8 -6.961 -7.469 5.692 77 HZ2 LYS 8 2HZ LYS 8 -7.201 -9.112 6.010 78 HZ3 LYS 8 3HZ LYS 8 -8.011 -8.373 4.722 79 H ILE 9 H ILE 9 -1.986 -11.325 6.398 80 HA ILE 9 HA ILE 9 -3.873 -12.609 8.117 81 HB ILE 9 HB ILE 9 -3.330 -14.602 7.062 82 HG12 ILE 9 2HG1 ILE 9 -1.031 -14.578 5.682 83 HG13 ILE 9 3HG1 ILE 9 -0.593 -13.445 6.956 84 HG21 ILE 9 1HG2 ILE 9 -3.834 -12.454 5.523 85 HG22 ILE 9 2HG2 ILE 9 -2.318 -12.998 4.807 86 HG23 ILE 9 3HG2 ILE 9 -3.695 -14.095 4.894 87 HD11 ILE 9 1HD1 ILE 9 -1.682 -15.444 8.409 88 HD12 ILE 9 2HD1 ILE 9 -0.990 -16.344 7.060 89 HD13 ILE 9 3HD1 ILE 9 0.036 -15.297 8.039 90 H THR 10 H THR 10 -0.494 -11.847 8.307 91 HA THR 10 HA THR 10 0.019 -13.687 10.484 92 HB THR 10 HB THR 10 2.252 -12.478 10.571 93 HG1 THR 10 HG1 THR 10 2.491 -10.771 9.350 94 HG21 THR 10 1HG2 THR 10 3.081 -13.543 8.520 95 HG22 THR 10 2HG2 THR 10 1.423 -13.731 7.950 96 HG23 THR 10 3HG2 THR 10 1.964 -14.596 9.387 97 H LYS 11 H LYS 11 -0.441 -13.264 12.532 98 HA LYS 11 HA LYS 11 -0.602 -10.448 13.389 99 HB2 LYS 11 2HB LYS 11 -2.212 -11.348 15.152 100 HB3 LYS 11 3HB LYS 11 -2.808 -11.270 13.500 101 HG2 LYS 11 2HG LYS 11 -1.568 -13.803 14.439 102 HG3 LYS 11 3HG LYS 11 -3.191 -13.393 14.999 103 HD2 LYS 11 2HD LYS 11 -3.611 -12.928 12.450 104 HD3 LYS 11 3HD LYS 11 -2.224 -14.001 12.241 105 HE2 LYS 11 2HE LYS 11 -3.901 -15.228 14.135 106 HE3 LYS 11 3HE LYS 11 -4.954 -14.649 12.845 107 HZ1 LYS 11 1HZ LYS 11 -2.504 -16.227 12.317 108 HZ2 LYS 11 2HZ LYS 11 -3.776 -15.895 11.254 109 HZ3 LYS 11 3HZ LYS 11 -4.016 -16.946 12.557 110 H LYS 12 H LYS 12 1.539 -12.681 13.453 111 HA LYS 12 HA LYS 12 2.054 -12.666 16.346 112 HB2 LYS 12 2HB LYS 12 3.867 -14.252 14.687 113 HB3 LYS 12 3HB LYS 12 2.975 -14.709 16.132 114 HG2 LYS 12 2HG LYS 12 0.925 -14.831 14.617 115 HG3 LYS 12 3HG LYS 12 2.070 -14.780 13.275 116 HD2 LYS 12 2HD LYS 12 1.791 -17.056 13.601 117 HD3 LYS 12 3HD LYS 12 3.246 -16.719 14.542 118 HE2 LYS 12 2HE LYS 12 1.858 -18.097 15.887 119 HE3 LYS 12 3HE LYS 12 1.760 -16.468 16.554 120 HZ1 LYS 12 1HZ LYS 12 -0.242 -17.034 14.564 121 HZ2 LYS 12 2HZ LYS 12 -0.407 -16.338 16.097 122 HZ3 LYS 12 3HZ LYS 12 -0.357 -18.021 15.934 123 H ASN 13 H ASN 13 4.149 -12.710 13.463 124 HA ASN 13 HA ASN 13 6.253 -11.312 14.691 125 HB2 ASN 13 2HB ASN 13 5.686 -12.433 12.103 126 HB3 ASN 13 3HB ASN 13 6.407 -10.837 11.910 127 HD21 ASN 13 1HD2 ASN 13 6.827 -13.863 13.699 128 HD22 ASN 13 2HD2 ASN 13 8.554 -13.843 13.669 129 H MET 14 H MET 14 3.291 -10.224 13.382 130 HA MET 14 HA MET 14 3.954 -7.657 12.495 131 HB2 MET 14 2HB MET 14 1.741 -8.835 12.220 132 HB3 MET 14 3HB MET 14 1.389 -8.423 13.893 133 HG2 MET 14 2HG MET 14 0.538 -6.517 13.173 134 HG3 MET 14 3HG MET 14 2.165 -6.028 12.705 135 HE1 MET 14 1HE MET 14 2.788 -6.079 9.566 136 HE2 MET 14 2HE MET 14 1.507 -4.867 9.524 137 HE3 MET 14 3HE MET 14 2.521 -5.030 10.959 138 H ALA 15 H ALA 15 2.783 -8.684 15.703 139 HA ALA 15 HA ALA 15 3.212 -6.096 16.856 140 HB1 ALA 15 1HB ALA 15 2.411 -8.770 17.933 141 HB2 ALA 15 2HB ALA 15 2.832 -7.451 19.026 142 HB3 ALA 15 3HB ALA 15 1.497 -7.263 17.890 143 H HIS 16 H HIS 16 5.355 -8.346 15.861 144 HA HIS 16 HA HIS 16 7.223 -7.909 18.086 145 HB2 HIS 16 2HB HIS 16 6.672 -10.156 16.379 146 HB3 HIS 16 3HB HIS 16 8.358 -9.681 16.201 147 HD1 HIS 16 HD1 HIS 16 9.847 -9.798 18.363 148 HD2 HIS 16 HD2 HIS 16 6.029 -11.383 18.771 149 HE1 HIS 16 HE1 HIS 16 9.903 -11.150 20.483 150 H ILE 17 H ILE 17 6.537 -6.977 14.881 151 HA ILE 17 HA ILE 17 9.013 -6.469 13.768 152 HB ILE 17 HB ILE 17 7.972 -4.795 12.394 153 HG12 ILE 17 2HG1 ILE 17 5.917 -4.741 14.588 154 HG13 ILE 17 3HG1 ILE 17 6.792 -3.397 13.863 155 HG21 ILE 17 1HG2 ILE 17 5.778 -6.772 12.904 156 HG22 ILE 17 2HG2 ILE 17 6.334 -6.100 11.372 157 HG23 ILE 17 3HG2 ILE 17 7.327 -7.277 12.230 158 HD11 ILE 17 1HD1 ILE 17 5.509 -3.797 11.765 159 HD12 ILE 17 2HD1 ILE 17 4.545 -4.978 12.651 160 HD13 ILE 17 3HD1 ILE 17 4.533 -3.285 13.142 161 H ARG 18 H ARG 18 7.194 -4.539 16.101 162 HA ARG 18 HA ARG 18 9.182 -2.439 16.122 163 HB2 ARG 18 2HB ARG 18 6.594 -2.279 16.551 164 HB3 ARG 18 3HB ARG 18 7.044 -2.697 18.199 165 HG2 ARG 18 2HG ARG 18 8.180 -0.720 18.535 166 HG3 ARG 18 3HG ARG 18 8.437 -0.455 16.809 167 HD2 ARG 18 2HD ARG 18 6.436 0.549 16.535 168 HD3 ARG 18 3HD ARG 18 5.625 -0.532 17.667 169 HE ARG 18 HE ARG 18 6.683 2.050 18.232 170 HH11 ARG 18 1HH1 ARG 18 6.121 -1.099 19.606 171 HH12 ARG 18 2HH1 ARG 18 6.030 -0.515 21.235 172 HH21 ARG 18 1HH2 ARG 18 6.565 2.830 20.372 173 HH22 ARG 18 2HH2 ARG 18 6.282 1.720 21.670 174 H CYS 19 H CYS 19 7.788 -4.248 18.852 175 HA CYS 19 HA CYS 19 8.708 -5.021 20.783 176 HB2 CYS 19 2HB CYS 19 10.021 -6.247 18.733 177 HB3 CYS 19 3HB CYS 19 11.366 -5.525 19.609 178 HG CYS 19 HG CYS 19 9.884 -6.764 22.031 Start of MODEL 15 1 H1 PHE 1 H PHE 1 5.502 -1.968 -6.257 2 HA PHE 1 HA PHE 1 3.476 -1.027 -4.707 3 HB2 PHE 1 2HB PHE 1 3.833 -3.202 -6.497 4 HB3 PHE 1 3HB PHE 1 2.993 -3.823 -5.080 5 HD1 PHE 1 HD1 PHE 1 0.852 -2.747 -4.364 6 HD2 PHE 1 HD2 PHE 1 2.732 -1.856 -8.077 7 HE1 PHE 1 HE1 PHE 1 -1.264 -1.815 -5.208 8 HE2 PHE 1 HE2 PHE 1 0.621 -0.922 -8.926 9 HZ PHE 1 HZ PHE 1 -1.381 -0.900 -7.491 10 H LEU 2 H LEU 2 5.139 -4.116 -4.047 11 HA LEU 2 HA LEU 2 5.484 -5.278 -2.124 12 HB2 LEU 2 2HB LEU 2 6.518 -2.924 -1.647 13 HB3 LEU 2 3HB LEU 2 5.157 -2.769 -0.538 14 HG LEU 2 HG LEU 2 7.196 -3.482 0.609 15 HD11 LEU 2 1HD1 LEU 2 4.884 -4.232 1.303 16 HD12 LEU 2 2HD1 LEU 2 6.230 -5.205 1.897 17 HD13 LEU 2 3HD1 LEU 2 5.258 -5.779 0.542 18 HD21 LEU 2 1HD2 LEU 2 7.045 -6.100 -0.839 19 HD22 LEU 2 2HD2 LEU 2 8.366 -5.429 0.118 20 HD23 LEU 2 3HD2 LEU 2 8.006 -4.765 -1.476 21 HA PRO 3 HA PRO 3 0.917 -5.183 -1.235 22 HB2 PRO 3 2HB PRO 3 0.485 -7.771 -1.931 23 HB3 PRO 3 3HB PRO 3 0.437 -6.443 -3.096 24 HG2 PRO 3 2HG PRO 3 2.648 -8.377 -2.519 25 HG3 PRO 3 3HG PRO 3 2.055 -7.789 -4.083 26 HD2 PRO 3 2HD PRO 3 4.288 -6.806 -2.909 27 HD3 PRO 3 3HD PRO 3 3.227 -5.811 -3.927 28 H LYS 4 H LYS 4 -0.233 -6.358 0.403 29 HA LYS 4 HA LYS 4 1.537 -7.813 2.258 30 HB2 LYS 4 2HB LYS 4 -0.448 -6.916 3.874 31 HB3 LYS 4 3HB LYS 4 1.074 -6.071 3.620 32 HG2 LYS 4 2HG LYS 4 0.124 -4.484 2.253 33 HG3 LYS 4 3HG LYS 4 -1.226 -5.528 1.802 34 HD2 LYS 4 2HD LYS 4 -2.013 -3.769 3.263 35 HD3 LYS 4 3HD LYS 4 -2.111 -5.320 4.100 36 HE2 LYS 4 2HE LYS 4 0.434 -4.344 4.682 37 HE3 LYS 4 3HE LYS 4 -0.624 -2.938 4.788 38 HZ1 LYS 4 1HZ LYS 4 -0.699 -3.843 6.902 39 HZ2 LYS 4 2HZ LYS 4 -0.721 -5.441 6.347 40 HZ3 LYS 4 3HZ LYS 4 -2.099 -4.472 6.189 41 H LEU 5 H LEU 5 0.037 -9.042 0.168 42 HA LEU 5 HA LEU 5 -2.433 -10.042 0.700 43 HB2 LEU 5 2HB LEU 5 -1.472 -12.245 -0.298 44 HB3 LEU 5 3HB LEU 5 -1.566 -10.788 -1.286 45 HG LEU 5 HG LEU 5 0.986 -11.074 0.103 46 HD11 LEU 5 1HD1 LEU 5 0.319 -13.097 -2.025 47 HD12 LEU 5 2HD1 LEU 5 0.395 -13.463 -0.302 48 HD13 LEU 5 3HD1 LEU 5 1.840 -12.916 -1.151 49 HD21 LEU 5 1HD2 LEU 5 1.683 -9.916 -1.672 50 HD22 LEU 5 2HD2 LEU 5 -0.021 -9.761 -2.099 51 HD23 LEU 5 3HD2 LEU 5 0.951 -11.052 -2.806 52 H PHE 6 H PHE 6 0.602 -11.027 2.192 53 HA PHE 6 HA PHE 6 -0.950 -12.639 4.109 54 HB2 PHE 6 2HB PHE 6 0.833 -13.713 2.407 55 HB3 PHE 6 3HB PHE 6 1.924 -13.269 3.716 56 HD1 PHE 6 HD1 PHE 6 2.188 -14.684 5.525 57 HD2 PHE 6 HD2 PHE 6 -1.257 -15.080 3.057 58 HE1 PHE 6 HE1 PHE 6 1.551 -16.721 6.748 59 HE2 PHE 6 HE2 PHE 6 -1.901 -17.117 4.277 60 HZ PHE 6 HZ PHE 6 -0.497 -17.940 6.126 61 H ALA 7 H ALA 7 0.986 -9.955 3.662 62 HA ALA 7 HA ALA 7 2.437 -9.960 6.117 63 HB1 ALA 7 1HB ALA 7 3.390 -8.087 5.338 64 HB2 ALA 7 2HB ALA 7 2.566 -8.486 3.830 65 HB3 ALA 7 3HB ALA 7 1.838 -7.340 4.956 66 H LYS 8 H LYS 8 -0.761 -8.980 5.160 67 HA LYS 8 HA LYS 8 -1.228 -7.517 7.628 68 HB2 LYS 8 2HB LYS 8 -3.495 -7.151 6.697 69 HB3 LYS 8 3HB LYS 8 -2.218 -6.621 5.610 70 HG2 LYS 8 2HG LYS 8 -2.971 -7.938 4.000 71 HG3 LYS 8 3HG LYS 8 -2.897 -9.350 5.056 72 HD2 LYS 8 2HD LYS 8 -5.104 -9.262 5.542 73 HD3 LYS 8 3HD LYS 8 -5.139 -7.498 5.548 74 HE2 LYS 8 2HE LYS 8 -5.841 -7.413 3.432 75 HE3 LYS 8 3HE LYS 8 -4.627 -8.576 2.903 76 HZ1 LYS 8 1HZ LYS 8 -6.486 -10.017 4.346 77 HZ2 LYS 8 2HZ LYS 8 -6.266 -10.027 2.669 78 HZ3 LYS 8 3HZ LYS 8 -7.392 -8.976 3.367 79 H ILE 9 H ILE 9 -1.994 -10.610 6.175 80 HA ILE 9 HA ILE 9 -3.931 -11.377 8.130 81 HB ILE 9 HB ILE 9 -4.035 -13.445 7.073 82 HG12 ILE 9 2HG1 ILE 9 -2.001 -13.976 5.407 83 HG13 ILE 9 3HG1 ILE 9 -1.136 -12.997 6.586 84 HG21 ILE 9 1HG2 ILE 9 -4.167 -11.213 5.558 85 HG22 ILE 9 2HG2 ILE 9 -2.970 -12.145 4.660 86 HG23 ILE 9 3HG2 ILE 9 -4.565 -12.828 4.974 87 HD11 ILE 9 1HD1 ILE 9 -0.849 -14.940 7.646 88 HD12 ILE 9 2HD1 ILE 9 -2.505 -14.692 8.202 89 HD13 ILE 9 3HD1 ILE 9 -2.188 -15.715 6.800 90 H THR 10 H THR 10 -0.471 -11.524 7.906 91 HA THR 10 HA THR 10 -0.200 -13.446 10.055 92 HB THR 10 HB THR 10 2.262 -12.881 9.849 93 HG1 THR 10 HG1 THR 10 2.819 -11.708 7.938 94 HG21 THR 10 1HG2 THR 10 2.529 -14.084 7.723 95 HG22 THR 10 2HG2 THR 10 0.823 -13.819 7.364 96 HG23 THR 10 3HG2 THR 10 1.289 -14.824 8.736 97 H LYS 11 H LYS 11 -0.281 -12.930 12.132 98 HA LYS 11 HA LYS 11 0.415 -10.179 12.930 99 HB2 LYS 11 2HB LYS 11 -1.173 -10.617 14.880 100 HB3 LYS 11 3HB LYS 11 -1.904 -10.361 13.301 101 HG2 LYS 11 2HG LYS 11 -1.313 -13.147 14.152 102 HG3 LYS 11 3HG LYS 11 -2.688 -12.311 14.876 103 HD2 LYS 11 2HD LYS 11 -3.290 -11.729 12.413 104 HD3 LYS 11 3HD LYS 11 -2.223 -13.079 12.021 105 HE2 LYS 11 2HE LYS 11 -3.774 -14.567 12.601 106 HE3 LYS 11 3HE LYS 11 -4.042 -13.773 14.152 107 HZ1 LYS 11 1HZ LYS 11 -5.729 -13.809 11.941 108 HZ2 LYS 11 2HZ LYS 11 -5.181 -12.217 12.104 109 HZ3 LYS 11 3HZ LYS 11 -5.952 -12.983 13.400 110 H LYS 12 H LYS 12 1.857 -12.914 12.817 111 HA LYS 12 HA LYS 12 2.463 -13.505 15.557 112 HB2 LYS 12 2HB LYS 12 2.590 -15.257 13.873 113 HB3 LYS 12 3HB LYS 12 3.813 -14.354 12.988 114 HG2 LYS 12 2HG LYS 12 4.692 -16.245 14.350 115 HG3 LYS 12 3HG LYS 12 5.416 -14.678 14.716 116 HD2 LYS 12 2HD LYS 12 4.676 -14.721 16.826 117 HD3 LYS 12 3HD LYS 12 3.059 -15.229 16.331 118 HE2 LYS 12 2HE LYS 12 3.584 -17.476 16.461 119 HE3 LYS 12 3HE LYS 12 5.313 -17.189 16.269 120 HZ1 LYS 12 1HZ LYS 12 4.056 -16.079 18.651 121 HZ2 LYS 12 2HZ LYS 12 5.583 -16.782 18.460 122 HZ3 LYS 12 3HZ LYS 12 4.211 -17.763 18.596 123 H ASN 13 H ASN 13 4.700 -12.552 12.952 124 HA ASN 13 HA ASN 13 6.549 -11.435 14.837 125 HB2 ASN 13 2HB ASN 13 6.571 -12.198 12.064 126 HB3 ASN 13 3HB ASN 13 7.223 -10.571 12.233 127 HD21 ASN 13 1HD2 ASN 13 8.068 -13.689 12.097 128 HD22 ASN 13 2HD2 ASN 13 9.524 -13.660 13.027 129 H MET 14 H MET 14 3.848 -10.262 13.106 130 HA MET 14 HA MET 14 4.525 -7.578 12.718 131 HB2 MET 14 2HB MET 14 2.482 -8.770 11.844 132 HB3 MET 14 3HB MET 14 1.782 -8.607 13.449 133 HG2 MET 14 2HG MET 14 0.983 -6.645 12.827 134 HG3 MET 14 3HG MET 14 2.640 -6.047 12.770 135 HE1 MET 14 1HE MET 14 3.916 -7.629 10.407 136 HE2 MET 14 2HE MET 14 3.585 -6.595 9.017 137 HE3 MET 14 3HE MET 14 4.090 -5.879 10.548 138 H ALA 15 H ALA 15 2.802 -9.078 15.455 139 HA ALA 15 HA ALA 15 2.844 -6.666 17.002 140 HB1 ALA 15 1HB ALA 15 1.998 -9.487 17.529 141 HB2 ALA 15 2HB ALA 15 2.122 -8.326 18.851 142 HB3 ALA 15 3HB ALA 15 1.028 -8.014 17.504 143 H HIS 16 H HIS 16 5.267 -8.690 16.179 144 HA HIS 16 HA HIS 16 6.629 -8.515 18.777 145 HB2 HIS 16 2HB HIS 16 6.556 -10.516 16.713 146 HB3 HIS 16 3HB HIS 16 8.215 -9.971 16.947 147 HD1 HIS 16 HD1 HIS 16 5.345 -11.501 18.870 148 HD2 HIS 16 HD2 HIS 16 9.446 -10.925 19.206 149 HE1 HIS 16 HE1 HIS 16 6.050 -12.842 20.878 150 H ILE 17 H ILE 17 6.540 -7.163 15.650 151 HA ILE 17 HA ILE 17 9.154 -6.432 15.143 152 HB ILE 17 HB ILE 17 8.312 -4.613 13.817 153 HG12 ILE 17 2HG1 ILE 17 5.864 -4.928 15.533 154 HG13 ILE 17 3HG1 ILE 17 6.788 -3.470 15.186 155 HG21 ILE 17 1HG2 ILE 17 7.856 -7.066 13.202 156 HG22 ILE 17 2HG2 ILE 17 6.178 -6.705 13.605 157 HG23 ILE 17 3HG2 ILE 17 6.988 -5.810 12.319 158 HD11 ILE 17 1HD1 ILE 17 4.919 -4.931 13.342 159 HD12 ILE 17 2HD1 ILE 17 4.715 -3.322 14.037 160 HD13 ILE 17 3HD1 ILE 17 5.973 -3.611 12.835 161 H ARG 18 H ARG 18 6.803 -4.902 17.288 162 HA ARG 18 HA ARG 18 8.818 -2.940 18.111 163 HB2 ARG 18 2HB ARG 18 6.311 -2.426 17.513 164 HB3 ARG 18 3HB ARG 18 6.016 -2.965 19.161 165 HG2 ARG 18 2HG ARG 18 7.148 -1.185 20.090 166 HG3 ARG 18 3HG ARG 18 8.100 -0.897 18.632 167 HD2 ARG 18 2HD ARG 18 5.303 -0.601 18.058 168 HD3 ARG 18 3HD ARG 18 5.743 0.402 19.440 169 HE ARG 18 HE ARG 18 7.583 0.651 17.264 170 HH11 ARG 18 1HH1 ARG 18 4.518 1.730 18.514 171 HH12 ARG 18 2HH1 ARG 18 4.552 3.236 17.659 172 HH21 ARG 18 1HH2 ARG 18 7.640 2.632 16.133 173 HH22 ARG 18 2HH2 ARG 18 6.328 3.748 16.304 174 H CYS 19 H CYS 19 6.251 -4.630 19.907 175 HA CYS 19 HA CYS 19 6.232 -5.605 21.962 176 HB2 CYS 19 2HB CYS 19 8.087 -6.933 20.491 177 HB3 CYS 19 3HB CYS 19 9.071 -6.416 21.856 178 HG CYS 19 HG CYS 19 7.502 -9.098 21.752 Start of MODEL 16 1 H1 PHE 1 H PHE 1 3.761 0.696 -4.094 2 HA PHE 1 HA PHE 1 2.152 -0.920 -4.158 3 HB2 PHE 1 2HB PHE 1 4.599 -2.509 -4.746 4 HB3 PHE 1 3HB PHE 1 3.160 -3.392 -4.245 5 HD1 PHE 1 HD1 PHE 1 4.836 -1.743 -6.935 6 HD2 PHE 1 HD2 PHE 1 1.023 -3.039 -5.558 7 HE1 PHE 1 HE1 PHE 1 3.967 -1.616 -9.233 8 HE2 PHE 1 HE2 PHE 1 0.148 -2.914 -7.854 9 HZ PHE 1 HZ PHE 1 1.620 -2.203 -9.695 10 H LEU 2 H LEU 2 4.860 -2.341 -2.319 11 HA LEU 2 HA LEU 2 4.971 -3.231 -0.227 12 HB2 LEU 2 2HB LEU 2 2.961 -1.041 0.266 13 HB3 LEU 2 3HB LEU 2 3.736 -1.979 1.541 14 HG LEU 2 HG LEU 2 5.540 -0.606 -0.357 15 HD11 LEU 2 1HD1 LEU 2 5.257 1.475 1.161 16 HD12 LEU 2 2HD1 LEU 2 3.642 0.830 1.452 17 HD13 LEU 2 3HD1 LEU 2 4.149 1.231 -0.189 18 HD21 LEU 2 1HD2 LEU 2 5.658 -0.467 2.619 19 HD22 LEU 2 2HD2 LEU 2 6.968 -0.547 1.441 20 HD23 LEU 2 3HD2 LEU 2 6.027 -1.992 1.813 21 HA PRO 3 HA PRO 3 1.082 -5.695 -0.959 22 HB2 PRO 3 2HB PRO 3 2.358 -8.062 -1.331 23 HB3 PRO 3 3HB PRO 3 2.051 -6.920 -2.645 24 HG2 PRO 3 2HG PRO 3 4.555 -7.360 -1.064 25 HG3 PRO 3 3HG PRO 3 4.362 -7.115 -2.810 26 HD2 PRO 3 2HD PRO 3 5.138 -5.132 -1.137 27 HD3 PRO 3 3HD PRO 3 4.171 -4.828 -2.595 28 H LYS 4 H LYS 4 0.042 -6.776 0.631 29 HA LYS 4 HA LYS 4 1.637 -7.645 2.953 30 HB2 LYS 4 2HB LYS 4 -0.685 -7.200 4.141 31 HB3 LYS 4 3HB LYS 4 0.475 -5.903 3.887 32 HG2 LYS 4 2HG LYS 4 -1.606 -5.026 3.256 33 HG3 LYS 4 3HG LYS 4 -0.772 -5.392 1.744 34 HD2 LYS 4 2HD LYS 4 -2.003 -7.571 1.691 35 HD3 LYS 4 3HD LYS 4 -2.936 -7.012 3.082 36 HE2 LYS 4 2HE LYS 4 -4.297 -5.865 1.753 37 HE3 LYS 4 3HE LYS 4 -2.933 -4.986 1.062 38 HZ1 LYS 4 1HZ LYS 4 -2.779 -7.410 -0.135 39 HZ2 LYS 4 2HZ LYS 4 -3.471 -6.026 -0.817 40 HZ3 LYS 4 3HZ LYS 4 -4.449 -7.164 -0.036 41 H LEU 5 H LEU 5 0.798 -9.200 0.611 42 HA LEU 5 HA LEU 5 -1.381 -10.787 0.821 43 HB2 LEU 5 2HB LEU 5 1.122 -10.951 -0.445 44 HB3 LEU 5 3HB LEU 5 0.884 -12.493 0.375 45 HG LEU 5 HG LEU 5 -1.397 -11.526 -1.229 46 HD11 LEU 5 1HD1 LEU 5 -0.492 -11.887 -3.331 47 HD12 LEU 5 2HD1 LEU 5 0.917 -12.734 -2.693 48 HD13 LEU 5 3HD1 LEU 5 0.781 -10.985 -2.508 49 HD21 LEU 5 1HD2 LEU 5 -0.211 -14.195 -1.599 50 HD22 LEU 5 2HD2 LEU 5 -1.890 -13.721 -1.341 51 HD23 LEU 5 3HD2 LEU 5 -0.784 -13.834 0.029 52 H PHE 6 H PHE 6 1.489 -10.926 2.840 53 HA PHE 6 HA PHE 6 0.117 -12.906 4.537 54 HB2 PHE 6 2HB PHE 6 2.364 -13.493 3.220 55 HB3 PHE 6 3HB PHE 6 3.086 -12.711 4.622 56 HD1 PHE 6 HD1 PHE 6 3.411 -13.900 6.586 57 HD2 PHE 6 HD2 PHE 6 0.701 -15.392 3.663 58 HE1 PHE 6 HE1 PHE 6 3.182 -15.987 7.869 59 HE2 PHE 6 HE2 PHE 6 0.466 -17.481 4.941 60 HZ PHE 6 HZ PHE 6 1.707 -17.780 7.048 61 H ALA 7 H ALA 7 1.313 -9.796 4.297 62 HA ALA 7 HA ALA 7 2.243 -9.413 6.969 63 HB1 ALA 7 1HB ALA 7 2.490 -7.980 4.702 64 HB2 ALA 7 2HB ALA 7 1.208 -7.075 5.507 65 HB3 ALA 7 3HB ALA 7 2.757 -7.318 6.315 66 H LYS 8 H LYS 8 -0.861 -9.323 5.406 67 HA LYS 8 HA LYS 8 -2.141 -8.015 7.666 68 HB2 LYS 8 2HB LYS 8 -4.216 -8.288 6.321 69 HB3 LYS 8 3HB LYS 8 -2.948 -7.409 5.477 70 HG2 LYS 8 2HG LYS 8 -2.890 -8.896 3.829 71 HG3 LYS 8 3HG LYS 8 -2.815 -10.254 4.954 72 HD2 LYS 8 2HD LYS 8 -4.812 -10.420 3.592 73 HD3 LYS 8 3HD LYS 8 -5.256 -10.093 5.269 74 HE2 LYS 8 2HE LYS 8 -5.833 -7.879 4.807 75 HE3 LYS 8 3HE LYS 8 -4.935 -7.865 3.290 76 HZ1 LYS 8 1HZ LYS 8 -7.562 -9.068 3.870 77 HZ2 LYS 8 2HZ LYS 8 -6.628 -9.643 2.583 78 HZ3 LYS 8 3HZ LYS 8 -7.123 -8.026 2.612 79 H ILE 9 H ILE 9 -1.776 -11.209 6.287 80 HA ILE 9 HA ILE 9 -3.792 -12.451 7.888 81 HB ILE 9 HB ILE 9 -3.147 -14.478 6.952 82 HG12 ILE 9 2HG1 ILE 9 -0.760 -14.467 5.733 83 HG13 ILE 9 3HG1 ILE 9 -0.425 -13.280 6.989 84 HG21 ILE 9 1HG2 ILE 9 -3.388 -14.043 4.755 85 HG22 ILE 9 2HG2 ILE 9 -3.558 -12.379 5.310 86 HG23 ILE 9 3HG2 ILE 9 -2.003 -12.953 4.711 87 HD11 ILE 9 1HD1 ILE 9 -1.564 -15.221 8.461 88 HD12 ILE 9 2HD1 ILE 9 -0.819 -16.182 7.183 89 HD13 ILE 9 3HD1 ILE 9 0.169 -15.096 8.160 90 H THR 10 H THR 10 -0.434 -11.678 8.313 91 HA THR 10 HA THR 10 -0.104 -13.434 10.593 92 HB THR 10 HB THR 10 2.127 -12.235 10.802 93 HG1 THR 10 HG1 THR 10 2.600 -10.686 9.408 94 HG21 THR 10 1HG2 THR 10 3.101 -13.390 8.868 95 HG22 THR 10 2HG2 THR 10 1.489 -13.593 8.180 96 HG23 THR 10 3HG2 THR 10 1.912 -14.400 9.690 97 H LYS 11 H LYS 11 -0.730 -12.924 12.576 98 HA LYS 11 HA LYS 11 -0.888 -10.076 13.318 99 HB2 LYS 11 2HB LYS 11 -2.739 -10.715 14.851 100 HB3 LYS 11 3HB LYS 11 -3.124 -10.964 13.153 101 HG2 LYS 11 2HG LYS 11 -3.833 -12.971 13.824 102 HG3 LYS 11 3HG LYS 11 -2.119 -13.396 13.839 103 HD2 LYS 11 2HD LYS 11 -1.954 -13.137 16.153 104 HD3 LYS 11 3HD LYS 11 -3.428 -12.169 16.243 105 HE2 LYS 11 2HE LYS 11 -4.781 -13.990 16.254 106 HE3 LYS 11 3HE LYS 11 -3.713 -14.925 15.209 107 HZ1 LYS 11 1HZ LYS 11 -3.076 -15.996 17.026 108 HZ2 LYS 11 2HZ LYS 11 -3.901 -14.927 18.044 109 HZ3 LYS 11 3HZ LYS 11 -2.320 -14.578 17.552 110 H LYS 12 H LYS 12 1.216 -12.255 13.644 111 HA LYS 12 HA LYS 12 1.505 -12.014 16.568 112 HB2 LYS 12 2HB LYS 12 3.120 -14.100 16.008 113 HB3 LYS 12 3HB LYS 12 1.431 -14.277 16.466 114 HG2 LYS 12 2HG LYS 12 2.098 -13.953 13.586 115 HG3 LYS 12 3HG LYS 12 2.410 -15.506 14.366 116 HD2 LYS 12 2HD LYS 12 -0.207 -14.457 15.045 117 HD3 LYS 12 3HD LYS 12 -0.002 -14.639 13.301 118 HE2 LYS 12 2HE LYS 12 0.970 -16.888 14.932 119 HE3 LYS 12 3HE LYS 12 -0.774 -16.629 14.969 120 HZ1 LYS 12 1HZ LYS 12 0.761 -17.826 12.955 121 HZ2 LYS 12 2HZ LYS 12 0.078 -16.417 12.317 122 HZ3 LYS 12 3HZ LYS 12 -0.915 -17.602 13.003 123 H ASN 13 H ASN 13 3.756 -13.050 14.027 124 HA ASN 13 HA ASN 13 6.008 -11.846 15.066 125 HB2 ASN 13 2HB ASN 13 5.290 -13.167 12.635 126 HB3 ASN 13 3HB ASN 13 6.232 -11.735 12.232 127 HD21 ASN 13 1HD2 ASN 13 8.370 -11.792 12.475 128 HD22 ASN 13 2HD2 ASN 13 9.252 -13.081 13.214 129 H MET 14 H MET 14 3.416 -10.429 13.234 130 HA MET 14 HA MET 14 4.668 -8.101 12.319 131 HB2 MET 14 2HB MET 14 2.376 -8.936 11.685 132 HB3 MET 14 3HB MET 14 1.796 -8.315 13.225 133 HG2 MET 14 2HG MET 14 1.428 -6.382 12.222 134 HG3 MET 14 3HG MET 14 3.174 -6.193 12.073 135 HE1 MET 14 1HE MET 14 4.414 -6.440 9.328 136 HE2 MET 14 2HE MET 14 3.269 -5.291 8.638 137 HE3 MET 14 3HE MET 14 3.763 -5.138 10.324 138 H ALA 15 H ALA 15 2.765 -8.609 15.291 139 HA ALA 15 HA ALA 15 3.411 -6.018 16.331 140 HB1 ALA 15 1HB ALA 15 2.200 -8.407 17.716 141 HB2 ALA 15 2HB ALA 15 2.247 -6.759 18.343 142 HB3 ALA 15 3HB ALA 15 1.309 -7.125 16.896 143 H HIS 16 H HIS 16 5.284 -8.660 15.932 144 HA HIS 16 HA HIS 16 6.757 -8.302 18.449 145 HB2 HIS 16 2HB HIS 16 6.155 -10.592 16.818 146 HB3 HIS 16 3HB HIS 16 7.902 -10.403 16.946 147 HD1 HIS 16 HD1 HIS 16 8.901 -11.482 18.928 148 HD2 HIS 16 HD2 HIS 16 4.907 -10.517 19.548 149 HE1 HIS 16 HE1 HIS 16 8.340 -12.373 21.212 150 H ILE 17 H ILE 17 6.843 -7.591 15.117 151 HA ILE 17 HA ILE 17 9.531 -7.583 14.485 152 HB ILE 17 HB ILE 17 9.062 -5.909 12.825 153 HG12 ILE 17 2HG1 ILE 17 6.678 -5.326 14.561 154 HG13 ILE 17 3HG1 ILE 17 7.888 -4.210 13.937 155 HG21 ILE 17 1HG2 ILE 17 7.440 -7.038 11.588 156 HG22 ILE 17 2HG2 ILE 17 8.049 -8.265 12.697 157 HG23 ILE 17 3HG2 ILE 17 6.510 -7.469 13.023 158 HD11 ILE 17 1HD1 ILE 17 6.965 -4.609 11.658 159 HD12 ILE 17 2HD1 ILE 17 5.666 -5.536 12.410 160 HD13 ILE 17 3HD1 ILE 17 5.853 -3.821 12.777 161 H ARG 18 H ARG 18 7.670 -5.177 16.280 162 HA ARG 18 HA ARG 18 9.905 -3.378 16.529 163 HB2 ARG 18 2HB ARG 18 7.327 -2.869 16.561 164 HB3 ARG 18 3HB ARG 18 7.481 -3.223 18.277 165 HG2 ARG 18 2HG ARG 18 8.812 -1.384 18.675 166 HG3 ARG 18 3HG ARG 18 9.339 -1.273 16.994 167 HD2 ARG 18 2HD ARG 18 7.624 0.048 16.439 168 HD3 ARG 18 3HD ARG 18 6.463 -0.965 17.296 169 HE ARG 18 HE ARG 18 7.834 0.392 19.251 170 HH11 ARG 18 1HH1 ARG 18 5.895 1.244 16.488 171 HH12 ARG 18 2HH1 ARG 18 5.320 2.723 17.184 172 HH21 ARG 18 1HH2 ARG 18 7.085 2.337 20.178 173 HH22 ARG 18 2HH2 ARG 18 5.998 3.344 19.282 174 H CYS 19 H CYS 19 7.914 -4.806 19.111 175 HA CYS 19 HA CYS 19 8.444 -5.628 21.163 176 HB2 CYS 19 2HB CYS 19 9.760 -7.205 19.610 177 HB3 CYS 19 3HB CYS 19 11.181 -6.289 20.096 178 HG CYS 19 HG CYS 19 11.559 -8.176 21.854 Start of MODEL 17 1 H1 PHE 1 H PHE 1 7.276 -0.402 -0.429 2 HA PHE 1 HA PHE 1 5.600 -1.100 1.098 3 HB2 PHE 1 2HB PHE 1 4.368 -0.505 -1.594 4 HB3 PHE 1 3HB PHE 1 3.427 -0.638 -0.112 5 HD1 PHE 1 HD1 PHE 1 6.207 1.243 -1.687 6 HD2 PHE 1 HD2 PHE 1 3.187 1.190 1.312 7 HE1 PHE 1 HE1 PHE 1 6.657 3.612 -1.196 8 HE2 PHE 1 HE2 PHE 1 3.631 3.558 1.807 9 HZ PHE 1 HZ PHE 1 5.367 4.773 0.552 10 H LEU 2 H LEU 2 4.773 -2.613 -2.027 11 HA LEU 2 HA LEU 2 4.049 -4.701 -2.563 12 HB2 LEU 2 2HB LEU 2 5.891 -5.077 -0.347 13 HB3 LEU 2 3HB LEU 2 4.667 -6.342 -0.426 14 HG LEU 2 HG LEU 2 5.479 -6.272 -3.008 15 HD11 LEU 2 1HD1 LEU 2 7.856 -5.528 -1.315 16 HD12 LEU 2 2HD1 LEU 2 7.205 -4.652 -2.700 17 HD13 LEU 2 3HD1 LEU 2 7.971 -6.223 -2.932 18 HD21 LEU 2 1HD2 LEU 2 7.248 -8.045 -1.827 19 HD22 LEU 2 2HD2 LEU 2 5.599 -8.394 -2.345 20 HD23 LEU 2 3HD2 LEU 2 5.919 -7.931 -0.673 21 HA PRO 3 HA PRO 3 0.127 -5.332 -0.700 22 HB2 PRO 3 2HB PRO 3 -0.305 -7.979 -1.121 23 HB3 PRO 3 3HB PRO 3 -0.353 -6.780 -2.418 24 HG2 PRO 3 2HG PRO 3 1.858 -8.642 -1.641 25 HG3 PRO 3 3HG PRO 3 1.266 -8.222 -3.259 26 HD2 PRO 3 2HD PRO 3 3.498 -7.121 -2.194 27 HD3 PRO 3 3HD PRO 3 2.438 -6.238 -3.310 28 H LYS 4 H LYS 4 -1.059 -7.139 0.730 29 HA LYS 4 HA LYS 4 0.740 -7.743 2.985 30 HB2 LYS 4 2HB LYS 4 -1.574 -7.559 4.270 31 HB3 LYS 4 3HB LYS 4 -0.576 -6.144 3.957 32 HG2 LYS 4 2HG LYS 4 -2.764 -5.513 3.400 33 HG3 LYS 4 3HG LYS 4 -1.954 -5.807 1.859 34 HD2 LYS 4 2HD LYS 4 -3.061 -8.267 2.679 35 HD3 LYS 4 3HD LYS 4 -4.306 -7.041 2.931 36 HE2 LYS 4 2HE LYS 4 -4.755 -7.298 0.755 37 HE3 LYS 4 3HE LYS 4 -3.288 -6.360 0.479 38 HZ1 LYS 4 1HZ LYS 4 -2.280 -8.121 -0.387 39 HZ2 LYS 4 2HZ LYS 4 -3.776 -8.909 -0.389 40 HZ3 LYS 4 3HZ LYS 4 -2.713 -9.119 0.909 41 H LEU 5 H LEU 5 -0.019 -9.447 0.716 42 HA LEU 5 HA LEU 5 -1.973 -11.283 1.079 43 HB2 LEU 5 2HB LEU 5 0.852 -12.090 0.436 44 HB3 LEU 5 3HB LEU 5 -0.639 -12.874 -0.082 45 HG LEU 5 HG LEU 5 0.445 -10.223 -1.026 46 HD11 LEU 5 1HD1 LEU 5 1.599 -11.951 -2.118 47 HD12 LEU 5 2HD1 LEU 5 0.326 -11.469 -3.238 48 HD13 LEU 5 3HD1 LEU 5 0.144 -12.936 -2.278 49 HD21 LEU 5 1HD2 LEU 5 -1.642 -9.642 -1.510 50 HD22 LEU 5 2HD2 LEU 5 -2.259 -11.192 -0.938 51 HD23 LEU 5 3HD2 LEU 5 -1.721 -11.018 -2.609 52 H PHE 6 H PHE 6 0.999 -11.018 2.930 53 HA PHE 6 HA PHE 6 -0.016 -13.115 4.734 54 HB2 PHE 6 2HB PHE 6 2.217 -13.434 3.298 55 HB3 PHE 6 3HB PHE 6 2.904 -12.549 4.656 56 HD1 PHE 6 HD1 PHE 6 3.492 -13.669 6.596 57 HD2 PHE 6 HD2 PHE 6 0.812 -15.513 3.852 58 HE1 PHE 6 HE1 PHE 6 3.591 -15.750 7.904 59 HE2 PHE 6 HE2 PHE 6 0.906 -17.597 5.156 60 HZ PHE 6 HZ PHE 6 2.296 -17.718 7.185 61 H ALA 7 H ALA 7 0.759 -9.885 4.377 62 HA ALA 7 HA ALA 7 1.780 -9.326 6.983 63 HB1 ALA 7 1HB ALA 7 1.717 -7.924 4.688 64 HB2 ALA 7 2HB ALA 7 0.367 -7.177 5.542 65 HB3 ALA 7 3HB ALA 7 1.972 -7.194 6.273 66 H LYS 8 H LYS 8 -1.398 -9.643 5.598 67 HA LYS 8 HA LYS 8 -2.705 -8.469 7.911 68 HB2 LYS 8 2HB LYS 8 -4.799 -9.036 6.696 69 HB3 LYS 8 3HB LYS 8 -3.704 -8.024 5.762 70 HG2 LYS 8 2HG LYS 8 -3.543 -9.535 4.142 71 HG3 LYS 8 3HG LYS 8 -3.244 -10.845 5.287 72 HD2 LYS 8 2HD LYS 8 -5.272 -11.292 4.045 73 HD3 LYS 8 3HD LYS 8 -5.669 -10.967 5.734 74 HE2 LYS 8 2HE LYS 8 -7.091 -9.407 5.041 75 HE3 LYS 8 3HE LYS 8 -5.717 -8.481 4.439 76 HZ1 LYS 8 1HZ LYS 8 -7.100 -8.729 2.605 77 HZ2 LYS 8 2HZ LYS 8 -7.471 -10.340 2.959 78 HZ3 LYS 8 3HZ LYS 8 -5.936 -9.934 2.374 79 H ILE 9 H ILE 9 -2.006 -11.622 6.568 80 HA ILE 9 HA ILE 9 -3.750 -13.071 8.310 81 HB ILE 9 HB ILE 9 -2.917 -15.020 7.363 82 HG12 ILE 9 2HG1 ILE 9 -0.623 -14.744 6.006 83 HG13 ILE 9 3HG1 ILE 9 -0.366 -13.498 7.222 84 HG21 ILE 9 1HG2 ILE 9 -2.098 -13.410 5.038 85 HG22 ILE 9 2HG2 ILE 9 -3.326 -14.667 5.175 86 HG23 ILE 9 3HG2 ILE 9 -3.680 -13.027 5.717 87 HD11 ILE 9 1HD1 ILE 9 -0.242 -16.386 7.455 88 HD12 ILE 9 2HD1 ILE 9 0.432 -15.131 8.496 89 HD13 ILE 9 3HD1 ILE 9 -1.244 -15.641 8.700 90 H THR 10 H THR 10 -0.501 -11.866 8.511 91 HA THR 10 HA THR 10 0.194 -13.516 10.788 92 HB THR 10 HB THR 10 2.258 -12.036 10.841 93 HG1 THR 10 HG1 THR 10 1.233 -10.285 9.651 94 HG21 THR 10 1HG2 THR 10 1.651 -13.500 8.269 95 HG22 THR 10 2HG2 THR 10 2.245 -14.233 9.759 96 HG23 THR 10 3HG2 THR 10 3.257 -13.094 8.871 97 H LYS 11 H LYS 11 -0.374 -13.052 12.799 98 HA LYS 11 HA LYS 11 -0.856 -10.234 13.515 99 HB2 LYS 11 2HB LYS 11 -2.462 -11.180 15.238 100 HB3 LYS 11 3HB LYS 11 -2.977 -11.284 13.560 101 HG2 LYS 11 2HG LYS 11 -1.537 -13.597 14.751 102 HG3 LYS 11 3HG LYS 11 -3.223 -13.322 15.195 103 HD2 LYS 11 2HD LYS 11 -3.536 -13.089 12.597 104 HD3 LYS 11 3HD LYS 11 -2.042 -14.027 12.547 105 HE2 LYS 11 2HE LYS 11 -3.163 -15.896 12.976 106 HE3 LYS 11 3HE LYS 11 -3.825 -15.195 14.451 107 HZ1 LYS 11 1HZ LYS 11 -4.966 -14.797 11.739 108 HZ2 LYS 11 2HZ LYS 11 -5.630 -14.261 13.199 109 HZ3 LYS 11 3HZ LYS 11 -5.542 -15.917 12.868 110 H LYS 12 H LYS 12 1.504 -12.185 13.748 111 HA LYS 12 HA LYS 12 1.951 -11.805 16.637 112 HB2 LYS 12 2HB LYS 12 3.749 -13.724 16.010 113 HB3 LYS 12 3HB LYS 12 2.133 -14.061 16.616 114 HG2 LYS 12 2HG LYS 12 1.345 -14.706 14.550 115 HG3 LYS 12 3HG LYS 12 2.583 -13.799 13.678 116 HD2 LYS 12 2HD LYS 12 3.625 -15.765 13.443 117 HD3 LYS 12 3HD LYS 12 4.059 -15.596 15.146 118 HE2 LYS 12 2HE LYS 12 3.096 -17.772 14.796 119 HE3 LYS 12 3HE LYS 12 1.976 -16.797 15.746 120 HZ1 LYS 12 1HZ LYS 12 1.521 -16.582 12.925 121 HZ2 LYS 12 2HZ LYS 12 0.431 -16.936 14.169 122 HZ3 LYS 12 3HZ LYS 12 1.362 -18.171 13.484 123 H ASN 13 H ASN 13 4.139 -12.684 13.985 124 HA ASN 13 HA ASN 13 6.308 -11.214 14.836 125 HB2 ASN 13 2HB ASN 13 5.579 -12.675 12.490 126 HB3 ASN 13 3HB ASN 13 6.334 -11.163 11.992 127 HD21 ASN 13 1HD2 ASN 13 7.188 -14.055 11.998 128 HD22 ASN 13 2HD2 ASN 13 8.748 -14.034 12.741 129 H MET 14 H MET 14 3.472 -10.138 13.133 130 HA MET 14 HA MET 14 4.411 -7.712 12.101 131 HB2 MET 14 2HB MET 14 2.195 -8.809 11.610 132 HB3 MET 14 3HB MET 14 1.631 -8.214 13.166 133 HG2 MET 14 2HG MET 14 0.999 -6.361 12.142 134 HG3 MET 14 3HG MET 14 2.703 -5.985 11.899 135 HE1 MET 14 1HE MET 14 2.514 -4.613 10.090 136 HE2 MET 14 2HE MET 14 3.634 -5.653 9.210 137 HE3 MET 14 3HE MET 14 2.174 -5.059 8.417 138 H ALA 15 H ALA 15 2.732 -8.344 15.182 139 HA ALA 15 HA ALA 15 3.141 -5.672 16.130 140 HB1 ALA 15 1HB ALA 15 1.305 -6.459 17.177 141 HB2 ALA 15 2HB ALA 15 1.867 -8.131 17.141 142 HB3 ALA 15 3HB ALA 15 2.483 -7.019 18.363 143 H HIS 16 H HIS 16 5.272 -8.103 15.685 144 HA HIS 16 HA HIS 16 6.825 -7.519 18.110 145 HB2 HIS 16 2HB HIS 16 6.398 -9.903 16.561 146 HB3 HIS 16 3HB HIS 16 8.116 -9.519 16.589 147 HD1 HIS 16 HD1 HIS 16 5.340 -10.743 18.713 148 HD2 HIS 16 HD2 HIS 16 9.302 -9.582 19.173 149 HE1 HIS 16 HE1 HIS 16 6.017 -11.552 20.996 150 H ILE 17 H ILE 17 6.658 -6.890 14.764 151 HA ILE 17 HA ILE 17 9.293 -6.603 13.987 152 HB ILE 17 HB ILE 17 8.555 -5.036 12.321 153 HG12 ILE 17 2HG1 ILE 17 6.214 -4.673 14.171 154 HG13 ILE 17 3HG1 ILE 17 7.258 -3.447 13.459 155 HG21 ILE 17 1HG2 ILE 17 7.006 -6.368 11.197 156 HG22 ILE 17 2HG2 ILE 17 7.806 -7.491 12.295 157 HG23 ILE 17 3HG2 ILE 17 6.206 -6.862 12.690 158 HD11 ILE 17 1HD1 ILE 17 6.267 -4.006 11.242 159 HD12 ILE 17 2HD1 ILE 17 5.121 -5.050 12.084 160 HD13 ILE 17 3HD1 ILE 17 5.134 -3.316 12.404 161 H ARG 18 H ARG 18 7.270 -4.370 15.830 162 HA ARG 18 HA ARG 18 9.558 -2.556 16.126 163 HB2 ARG 18 2HB ARG 18 7.128 -1.840 15.429 164 HB3 ARG 18 3HB ARG 18 6.821 -1.930 17.158 165 HG2 ARG 18 2HG ARG 18 8.223 -0.165 17.637 166 HG3 ARG 18 3HG ARG 18 9.152 -0.366 16.150 167 HD2 ARG 18 2HD ARG 18 7.420 0.572 14.834 168 HD3 ARG 18 3HD ARG 18 6.268 0.485 16.166 169 HE ARG 18 HE ARG 18 8.205 2.117 17.122 170 HH11 ARG 18 1HH1 ARG 18 6.306 2.100 14.204 171 HH12 ARG 18 2HH1 ARG 18 6.324 3.824 14.027 172 HH21 ARG 18 1HH2 ARG 18 8.236 4.387 16.900 173 HH22 ARG 18 2HH2 ARG 18 7.423 5.123 15.561 174 H CYS 19 H CYS 19 6.849 -3.390 18.278 175 HA CYS 19 HA CYS 19 6.767 -3.918 20.487 176 HB2 CYS 19 2HB CYS 19 8.554 -5.662 19.382 177 HB3 CYS 19 3HB CYS 19 9.526 -4.935 20.655 178 HG CYS 19 HG CYS 19 8.414 -7.385 21.525 Start of MODEL 18 1 H1 PHE 1 H PHE 1 3.955 -0.655 -1.599 2 HA PHE 1 HA PHE 1 6.375 -0.685 -2.939 3 HB2 PHE 1 2HB PHE 1 6.803 -0.610 -0.159 4 HB3 PHE 1 3HB PHE 1 7.124 -2.271 -0.649 5 HD1 PHE 1 HD1 PHE 1 8.713 0.627 0.037 6 HD2 PHE 1 HD2 PHE 1 8.419 -2.213 -3.120 7 HE1 PHE 1 HE1 PHE 1 10.936 1.302 -0.773 8 HE2 PHE 1 HE2 PHE 1 10.642 -1.543 -3.934 9 HZ PHE 1 HZ PHE 1 11.904 0.216 -2.760 10 H LEU 2 H LEU 2 4.123 -2.474 -0.931 11 HA LEU 2 HA LEU 2 3.678 -4.418 -2.958 12 HB2 LEU 2 2HB LEU 2 4.351 -6.323 -1.285 13 HB3 LEU 2 3HB LEU 2 5.530 -5.618 -2.390 14 HG LEU 2 HG LEU 2 6.465 -4.284 -0.605 15 HD11 LEU 2 1HD1 LEU 2 5.643 -4.704 1.746 16 HD12 LEU 2 2HD1 LEU 2 4.207 -5.425 1.020 17 HD13 LEU 2 3HD1 LEU 2 4.591 -3.730 0.719 18 HD21 LEU 2 1HD2 LEU 2 7.240 -6.129 0.899 19 HD22 LEU 2 2HD2 LEU 2 7.422 -6.456 -0.825 20 HD23 LEU 2 3HD2 LEU 2 6.099 -7.195 0.079 21 HA PRO 3 HA PRO 3 -0.106 -4.903 -0.791 22 HB2 PRO 3 2HB PRO 3 -0.738 -7.492 -1.305 23 HB3 PRO 3 3HB PRO 3 -0.821 -6.222 -2.531 24 HG2 PRO 3 2HG PRO 3 1.326 -8.251 -2.048 25 HG3 PRO 3 3HG PRO 3 0.626 -7.707 -3.583 26 HD2 PRO 3 2HD PRO 3 3.007 -6.800 -2.665 27 HD3 PRO 3 3HD PRO 3 1.912 -5.796 -3.638 28 H LYS 4 H LYS 4 -1.267 -6.805 0.600 29 HA LYS 4 HA LYS 4 0.668 -7.561 2.692 30 HB2 LYS 4 2HB LYS 4 -1.537 -7.423 4.146 31 HB3 LYS 4 3HB LYS 4 -0.564 -5.994 3.825 32 HG2 LYS 4 2HG LYS 4 -2.787 -5.341 3.467 33 HG3 LYS 4 3HG LYS 4 -2.097 -5.561 1.857 34 HD2 LYS 4 2HD LYS 4 -3.080 -7.861 1.841 35 HD3 LYS 4 3HD LYS 4 -3.900 -7.461 3.352 36 HE2 LYS 4 2HE LYS 4 -4.252 -5.498 1.196 37 HE3 LYS 4 3HE LYS 4 -4.944 -7.086 0.868 38 HZ1 LYS 4 1HZ LYS 4 -6.616 -6.642 2.227 39 HZ2 LYS 4 2HZ LYS 4 -6.026 -5.069 2.424 40 HZ3 LYS 4 3HZ LYS 4 -5.566 -6.287 3.505 41 H LEU 5 H LEU 5 -0.255 -9.124 0.387 42 HA LEU 5 HA LEU 5 -2.210 -10.955 0.759 43 HB2 LEU 5 2HB LEU 5 0.402 -10.966 -0.549 44 HB3 LEU 5 3HB LEU 5 -0.159 -12.571 -0.086 45 HG LEU 5 HG LEU 5 -0.708 -11.926 -2.425 46 HD11 LEU 5 1HD1 LEU 5 -3.270 -12.388 -2.061 47 HD12 LEU 5 2HD1 LEU 5 -2.752 -12.690 -0.403 48 HD13 LEU 5 3HD1 LEU 5 -2.063 -13.630 -1.726 49 HD21 LEU 5 1HD2 LEU 5 -2.258 -10.241 -2.929 50 HD22 LEU 5 2HD2 LEU 5 -1.154 -9.501 -1.770 51 HD23 LEU 5 3HD2 LEU 5 -2.742 -10.060 -1.243 52 H PHE 6 H PHE 6 0.868 -10.835 2.448 53 HA PHE 6 HA PHE 6 -0.083 -13.009 4.195 54 HB2 PHE 6 2HB PHE 6 2.054 -13.294 2.616 55 HB3 PHE 6 3HB PHE 6 2.839 -12.489 3.971 56 HD1 PHE 6 HD1 PHE 6 3.508 -13.709 5.825 57 HD2 PHE 6 HD2 PHE 6 0.656 -15.379 3.142 58 HE1 PHE 6 HE1 PHE 6 3.644 -15.855 7.021 59 HE2 PHE 6 HE2 PHE 6 0.787 -17.527 4.334 60 HZ PHE 6 HZ PHE 6 2.281 -17.767 6.277 61 H ALA 7 H ALA 7 0.736 -9.779 3.964 62 HA ALA 7 HA ALA 7 1.916 -9.381 6.533 63 HB1 ALA 7 1HB ALA 7 1.748 -7.857 4.318 64 HB2 ALA 7 2HB ALA 7 0.476 -7.127 5.299 65 HB3 ALA 7 3HB ALA 7 2.124 -7.222 5.921 66 H LYS 8 H LYS 8 -1.336 -9.593 5.325 67 HA LYS 8 HA LYS 8 -2.486 -8.510 7.767 68 HB2 LYS 8 2HB LYS 8 -4.658 -8.970 6.644 69 HB3 LYS 8 3HB LYS 8 -3.596 -7.927 5.708 70 HG2 LYS 8 2HG LYS 8 -3.566 -9.342 3.998 71 HG3 LYS 8 3HG LYS 8 -3.215 -10.718 5.046 72 HD2 LYS 8 2HD LYS 8 -5.328 -11.048 3.889 73 HD3 LYS 8 3HD LYS 8 -5.598 -10.870 5.624 74 HE2 LYS 8 2HE LYS 8 -5.697 -8.284 4.485 75 HE3 LYS 8 3HE LYS 8 -6.678 -9.339 3.468 76 HZ1 LYS 8 1HZ LYS 8 -6.953 -9.032 6.410 77 HZ2 LYS 8 2HZ LYS 8 -7.896 -10.040 5.433 78 HZ3 LYS 8 3HZ LYS 8 -7.983 -8.360 5.248 79 H ILE 9 H ILE 9 -1.939 -11.596 6.213 80 HA ILE 9 HA ILE 9 -3.614 -13.108 7.967 81 HB ILE 9 HB ILE 9 -2.864 -15.018 6.878 82 HG12 ILE 9 2HG1 ILE 9 -0.647 -14.698 5.406 83 HG13 ILE 9 3HG1 ILE 9 -0.302 -13.522 6.669 84 HG21 ILE 9 1HG2 ILE 9 -3.402 -14.542 4.743 85 HG22 ILE 9 2HG2 ILE 9 -3.683 -12.925 5.386 86 HG23 ILE 9 3HG2 ILE 9 -2.155 -13.305 4.594 87 HD11 ILE 9 1HD1 ILE 9 -1.118 -15.719 8.090 88 HD12 ILE 9 2HD1 ILE 9 -0.220 -16.422 6.744 89 HD13 ILE 9 3HD1 ILE 9 0.552 -15.235 7.795 90 H THR 10 H THR 10 -0.332 -11.977 8.058 91 HA THR 10 HA THR 10 0.439 -13.758 10.209 92 HB THR 10 HB THR 10 2.541 -12.333 10.225 93 HG1 THR 10 HG1 THR 10 2.786 -10.832 8.628 94 HG21 THR 10 1HG2 THR 10 3.406 -13.309 8.149 95 HG22 THR 10 2HG2 THR 10 1.758 -13.650 7.621 96 HG23 THR 10 3HG2 THR 10 2.418 -14.469 9.036 97 H LYS 11 H LYS 11 0.008 -13.381 12.273 98 HA LYS 11 HA LYS 11 -0.396 -10.594 13.143 99 HB2 LYS 11 2HB LYS 11 -1.850 -11.686 14.963 100 HB3 LYS 11 3HB LYS 11 -2.515 -11.566 13.340 101 HG2 LYS 11 2HG LYS 11 -3.049 -13.722 14.123 102 HG3 LYS 11 3HG LYS 11 -1.733 -13.930 12.965 103 HD2 LYS 11 2HD LYS 11 -0.374 -14.782 14.521 104 HD3 LYS 11 3HD LYS 11 -0.772 -13.508 15.676 105 HE2 LYS 11 2HE LYS 11 -2.821 -15.592 15.161 106 HE3 LYS 11 3HE LYS 11 -1.399 -16.059 16.092 107 HZ1 LYS 11 1HZ LYS 11 -3.571 -14.255 16.799 108 HZ2 LYS 11 2HZ LYS 11 -2.026 -13.805 17.318 109 HZ3 LYS 11 3HZ LYS 11 -2.670 -15.300 17.778 110 H LYS 12 H LYS 12 1.949 -12.597 13.137 111 HA LYS 12 HA LYS 12 2.527 -12.581 16.018 112 HB2 LYS 12 2HB LYS 12 4.468 -13.918 14.287 113 HB3 LYS 12 3HB LYS 12 3.659 -14.505 15.735 114 HG2 LYS 12 2HG LYS 12 1.607 -14.822 14.257 115 HG3 LYS 12 3HG LYS 12 2.706 -14.601 12.893 116 HD2 LYS 12 2HD LYS 12 3.785 -16.583 13.265 117 HD3 LYS 12 3HD LYS 12 3.478 -16.548 15.003 118 HE2 LYS 12 2HE LYS 12 1.337 -17.399 14.771 119 HE3 LYS 12 3HE LYS 12 1.205 -16.884 13.090 120 HZ1 LYS 12 1HZ LYS 12 1.903 -19.388 14.021 121 HZ2 LYS 12 2HZ LYS 12 3.330 -18.730 13.396 122 HZ3 LYS 12 3HZ LYS 12 1.953 -18.843 12.420 123 H ASN 13 H ASN 13 4.551 -12.327 13.096 124 HA ASN 13 HA ASN 13 6.518 -10.738 14.315 125 HB2 ASN 13 2HB ASN 13 6.010 -11.842 11.708 126 HB3 ASN 13 3HB ASN 13 6.548 -10.172 11.547 127 HD21 ASN 13 1HD2 ASN 13 7.340 -13.084 13.416 128 HD22 ASN 13 2HD2 ASN 13 9.054 -12.912 13.276 129 H MET 14 H MET 14 3.423 -9.944 13.108 130 HA MET 14 HA MET 14 3.779 -7.297 12.285 131 HB2 MET 14 2HB MET 14 1.701 -8.702 12.023 132 HB3 MET 14 3HB MET 14 1.350 -8.378 13.715 133 HG2 MET 14 2HG MET 14 0.278 -6.557 13.072 134 HG3 MET 14 3HG MET 14 1.830 -5.879 12.584 135 HE1 MET 14 1HE MET 14 -1.281 -5.582 11.677 136 HE2 MET 14 2HE MET 14 -1.555 -5.982 9.981 137 HE3 MET 14 3HE MET 14 -1.668 -7.240 11.214 138 H ALA 15 H ALA 15 2.809 -8.535 15.485 139 HA ALA 15 HA ALA 15 2.984 -5.948 16.707 140 HB1 ALA 15 1HB ALA 15 1.636 -8.159 17.364 141 HB2 ALA 15 2HB ALA 15 3.047 -8.371 18.402 142 HB3 ALA 15 3HB ALA 15 2.064 -6.913 18.538 143 H HIS 16 H HIS 16 5.332 -7.922 15.596 144 HA HIS 16 HA HIS 16 7.198 -7.345 17.791 145 HB2 HIS 16 2HB HIS 16 6.851 -9.591 16.029 146 HB3 HIS 16 3HB HIS 16 8.471 -8.929 15.827 147 HD1 HIS 16 HD1 HIS 16 6.351 -10.845 18.175 148 HD2 HIS 16 HD2 HIS 16 10.092 -9.037 18.170 149 HE1 HIS 16 HE1 HIS 16 7.541 -11.758 20.194 150 H ILE 17 H ILE 17 6.333 -6.405 14.632 151 HA ILE 17 HA ILE 17 8.710 -5.599 13.479 152 HB ILE 17 HB ILE 17 7.458 -4.011 12.181 153 HG12 ILE 17 2HG1 ILE 17 5.467 -4.243 14.421 154 HG13 ILE 17 3HG1 ILE 17 6.173 -2.791 13.718 155 HG21 ILE 17 1HG2 ILE 17 7.083 -6.544 11.957 156 HG22 ILE 17 2HG2 ILE 17 5.506 -6.229 12.680 157 HG23 ILE 17 3HG2 ILE 17 5.947 -5.459 11.156 158 HD11 ILE 17 1HD1 ILE 17 4.887 -3.269 11.639 159 HD12 ILE 17 2HD1 ILE 17 4.079 -4.575 12.508 160 HD13 ILE 17 3HD1 ILE 17 3.896 -2.907 13.052 161 H ARG 18 H ARG 18 6.754 -3.945 15.910 162 HA ARG 18 HA ARG 18 8.439 -1.611 15.937 163 HB2 ARG 18 2HB ARG 18 5.899 -1.858 16.564 164 HB3 ARG 18 3HB ARG 18 6.537 -2.275 18.149 165 HG2 ARG 18 2HG ARG 18 7.397 -0.168 18.508 166 HG3 ARG 18 3HG ARG 18 7.472 0.208 16.785 167 HD2 ARG 18 2HD ARG 18 4.787 -0.226 17.223 168 HD3 ARG 18 3HD ARG 18 5.306 0.594 18.695 169 HE ARG 18 HE ARG 18 6.330 1.955 16.456 170 HH11 ARG 18 1HH1 ARG 18 3.319 1.338 18.092 171 HH12 ARG 18 2HH1 ARG 18 2.586 2.821 17.578 172 HH21 ARG 18 1HH2 ARG 18 5.375 3.911 15.772 173 HH22 ARG 18 2HH2 ARG 18 3.755 4.283 16.257 174 H CYS 19 H CYS 19 7.549 -3.726 18.658 175 HA CYS 19 HA CYS 19 8.745 -4.535 20.413 176 HB2 CYS 19 2HB CYS 19 10.087 -5.436 18.369 177 HB3 CYS 19 3HB CYS 19 11.278 -4.228 18.832 178 HG CYS 19 HG CYS 19 10.152 -6.540 21.073 Start of MODEL 19 1 H1 PHE 1 H PHE 1 5.460 0.190 -4.926 2 HA PHE 1 HA PHE 1 3.176 -0.625 -4.056 3 HB2 PHE 1 2HB PHE 1 5.199 -1.958 -5.425 4 HB3 PHE 1 3HB PHE 1 4.775 -3.056 -4.115 5 HD1 PHE 1 HD1 PHE 1 2.705 -4.217 -4.097 6 HD2 PHE 1 HD2 PHE 1 3.491 -1.268 -7.064 7 HE1 PHE 1 HE1 PHE 1 0.741 -4.977 -5.368 8 HE2 PHE 1 HE2 PHE 1 1.527 -2.023 -8.339 9 HZ PHE 1 HZ PHE 1 0.149 -3.879 -7.492 10 H LEU 2 H LEU 2 2.347 -2.354 -2.607 11 HA LEU 2 HA LEU 2 3.890 -2.613 -0.124 12 HB2 LEU 2 2HB LEU 2 1.000 -1.784 -0.323 13 HB3 LEU 2 3HB LEU 2 1.831 -2.196 1.175 14 HG LEU 2 HG LEU 2 3.132 -0.071 -0.365 15 HD11 LEU 2 1HD1 LEU 2 0.416 0.426 0.843 16 HD12 LEU 2 2HD1 LEU 2 0.790 0.439 -0.880 17 HD13 LEU 2 3HD1 LEU 2 1.509 1.645 0.187 18 HD21 LEU 2 1HD2 LEU 2 3.872 0.469 1.666 19 HD22 LEU 2 2HD2 LEU 2 3.123 -1.026 2.227 20 HD23 LEU 2 3HD2 LEU 2 2.242 0.498 2.338 21 HA PRO 3 HA PRO 3 2.064 -6.641 -1.595 22 HB2 PRO 3 2HB PRO 3 4.382 -8.043 -1.410 23 HB3 PRO 3 3HB PRO 3 3.918 -7.140 -2.857 24 HG2 PRO 3 2HG PRO 3 5.789 -6.358 -0.655 25 HG3 PRO 3 3HG PRO 3 5.976 -6.155 -2.406 26 HD2 PRO 3 2HD PRO 3 5.202 -4.133 -0.780 27 HD3 PRO 3 3HD PRO 3 4.641 -4.277 -2.458 28 H LYS 4 H LYS 4 0.878 -6.880 0.302 29 HA LYS 4 HA LYS 4 2.354 -8.015 2.588 30 HB2 LYS 4 2HB LYS 4 0.020 -7.240 3.712 31 HB3 LYS 4 3HB LYS 4 1.464 -6.236 3.666 32 HG2 LYS 4 2HG LYS 4 0.626 -4.862 2.033 33 HG3 LYS 4 3HG LYS 4 -0.465 -6.098 1.401 34 HD2 LYS 4 2HD LYS 4 -1.724 -4.358 2.537 35 HD3 LYS 4 3HD LYS 4 -1.853 -5.882 3.418 36 HE2 LYS 4 2HE LYS 4 -0.463 -5.150 5.132 37 HE3 LYS 4 3HE LYS 4 0.251 -3.878 4.141 38 HZ1 LYS 4 1HZ LYS 4 -1.146 -2.621 5.372 39 HZ2 LYS 4 2HZ LYS 4 -2.242 -3.879 5.651 40 HZ3 LYS 4 3HZ LYS 4 -2.254 -3.060 4.171 41 H LEU 5 H LEU 5 1.423 -9.514 0.338 42 HA LEU 5 HA LEU 5 -1.001 -10.740 0.471 43 HB2 LEU 5 2HB LEU 5 -0.068 -12.583 -0.644 44 HB3 LEU 5 3HB LEU 5 0.900 -11.192 -1.129 45 HG LEU 5 HG LEU 5 2.391 -12.086 0.921 46 HD11 LEU 5 1HD1 LEU 5 1.431 -14.639 -0.323 47 HD12 LEU 5 2HD1 LEU 5 0.701 -13.998 1.149 48 HD13 LEU 5 3HD1 LEU 5 2.415 -14.409 1.122 49 HD21 LEU 5 1HD2 LEU 5 2.927 -11.660 -1.549 50 HD22 LEU 5 2HD2 LEU 5 2.618 -13.382 -1.777 51 HD23 LEU 5 3HD2 LEU 5 3.902 -12.852 -0.688 52 H PHE 6 H PHE 6 1.751 -11.267 2.593 53 HA PHE 6 HA PHE 6 0.038 -12.975 4.276 54 HB2 PHE 6 2HB PHE 6 2.232 -13.904 3.048 55 HB3 PHE 6 3HB PHE 6 2.991 -13.235 4.489 56 HD1 PHE 6 HD1 PHE 6 3.065 -14.478 6.439 57 HD2 PHE 6 HD2 PHE 6 0.244 -15.501 3.420 58 HE1 PHE 6 HE1 PHE 6 2.454 -16.500 7.700 59 HE2 PHE 6 HE2 PHE 6 -0.371 -17.525 4.676 60 HZ PHE 6 HZ PHE 6 0.733 -18.026 6.820 61 H ALA 7 H ALA 7 1.731 -10.096 4.025 62 HA ALA 7 HA ALA 7 2.613 -9.794 6.718 63 HB1 ALA 7 1HB ALA 7 3.073 -8.441 4.404 64 HB2 ALA 7 2HB ALA 7 1.991 -7.335 5.251 65 HB3 ALA 7 3HB ALA 7 3.493 -7.856 6.014 66 H LYS 8 H LYS 8 -0.395 -9.255 5.051 67 HA LYS 8 HA LYS 8 -1.532 -7.732 7.248 68 HB2 LYS 8 2HB LYS 8 -3.578 -7.706 5.850 69 HB3 LYS 8 3HB LYS 8 -2.167 -7.082 5.006 70 HG2 LYS 8 2HG LYS 8 -2.401 -8.577 3.391 71 HG3 LYS 8 3HG LYS 8 -2.418 -9.905 4.554 72 HD2 LYS 8 2HD LYS 8 -4.479 -10.037 3.420 73 HD3 LYS 8 3HD LYS 8 -4.850 -9.301 4.981 74 HE2 LYS 8 2HE LYS 8 -4.566 -7.060 3.762 75 HE3 LYS 8 3HE LYS 8 -4.685 -8.004 2.279 76 HZ1 LYS 8 1HZ LYS 8 -6.872 -8.236 2.530 77 HZ2 LYS 8 2HZ LYS 8 -6.776 -6.997 3.678 78 HZ3 LYS 8 3HZ LYS 8 -6.751 -8.614 4.175 79 H ILE 9 H ILE 9 -1.622 -10.975 5.932 80 HA ILE 9 HA ILE 9 -3.833 -11.864 7.511 81 HB ILE 9 HB ILE 9 -3.496 -13.978 6.615 82 HG12 ILE 9 2HG1 ILE 9 -1.105 -14.366 5.464 83 HG13 ILE 9 3HG1 ILE 9 -0.621 -13.229 6.717 84 HG21 ILE 9 1HG2 ILE 9 -3.597 -13.558 4.402 85 HG22 ILE 9 2HG2 ILE 9 -3.535 -11.877 4.931 86 HG23 ILE 9 3HG2 ILE 9 -2.064 -12.686 4.389 87 HD11 ILE 9 1HD1 ILE 9 -2.078 -14.928 8.188 88 HD12 ILE 9 2HD1 ILE 9 -1.505 -16.026 6.932 89 HD13 ILE 9 3HD1 ILE 9 -0.348 -15.116 7.904 90 H THR 10 H THR 10 -0.410 -11.587 8.000 91 HA THR 10 HA THR 10 -0.380 -13.341 10.304 92 HB THR 10 HB THR 10 1.992 -12.471 10.554 93 HG1 THR 10 HG1 THR 10 2.750 -11.073 9.099 94 HG21 THR 10 1HG2 THR 10 1.490 -14.590 9.437 95 HG22 THR 10 2HG2 THR 10 2.835 -13.765 8.649 96 HG23 THR 10 3HG2 THR 10 1.231 -13.734 7.918 97 H LYS 11 H LYS 11 -0.955 -12.729 12.273 98 HA LYS 11 HA LYS 11 -0.757 -9.873 12.976 99 HB2 LYS 11 2HB LYS 11 -2.650 -10.451 14.620 100 HB3 LYS 11 3HB LYS 11 -3.060 -10.290 12.917 101 HG2 LYS 11 2HG LYS 11 -4.205 -12.193 13.700 102 HG3 LYS 11 3HG LYS 11 -2.846 -12.794 12.746 103 HD2 LYS 11 2HD LYS 11 -1.951 -13.836 14.509 104 HD3 LYS 11 3HD LYS 11 -2.156 -12.421 15.545 105 HE2 LYS 11 2HE LYS 11 -4.355 -13.036 16.123 106 HE3 LYS 11 3HE LYS 11 -4.454 -14.214 14.815 107 HZ1 LYS 11 1HZ LYS 11 -3.933 -14.869 17.332 108 HZ2 LYS 11 2HZ LYS 11 -2.352 -14.653 16.773 109 HZ3 LYS 11 3HZ LYS 11 -3.373 -15.766 16.011 110 H LYS 12 H LYS 12 1.001 -12.375 13.365 111 HA LYS 12 HA LYS 12 1.205 -12.297 16.295 112 HB2 LYS 12 2HB LYS 12 2.947 -14.185 14.895 113 HB3 LYS 12 3HB LYS 12 1.850 -14.453 16.244 114 HG2 LYS 12 2HG LYS 12 -0.023 -14.363 14.514 115 HG3 LYS 12 3HG LYS 12 1.254 -14.526 13.307 116 HD2 LYS 12 2HD LYS 12 0.642 -16.727 13.659 117 HD3 LYS 12 3HD LYS 12 2.004 -16.547 14.767 118 HE2 LYS 12 2HE LYS 12 0.009 -15.798 16.392 119 HE3 LYS 12 3HE LYS 12 -0.880 -16.889 15.331 120 HZ1 LYS 12 1HZ LYS 12 1.237 -18.381 15.833 121 HZ2 LYS 12 2HZ LYS 12 -0.135 -18.392 16.822 122 HZ3 LYS 12 3HZ LYS 12 1.218 -17.478 17.264 123 H ASN 13 H ASN 13 3.571 -12.750 13.669 124 HA ASN 13 HA ASN 13 5.709 -11.605 15.082 125 HB2 ASN 13 2HB ASN 13 5.261 -12.729 12.472 126 HB3 ASN 13 3HB ASN 13 6.214 -11.256 12.324 127 HD21 ASN 13 1HD2 ASN 13 8.186 -12.040 11.923 128 HD22 ASN 13 2HD2 ASN 13 9.053 -13.112 12.963 129 H MET 14 H MET 14 3.080 -10.168 13.440 130 HA MET 14 HA MET 14 4.184 -7.750 12.577 131 HB2 MET 14 2HB MET 14 1.868 -8.624 12.090 132 HB3 MET 14 3HB MET 14 1.407 -8.104 13.706 133 HG2 MET 14 2HG MET 14 0.910 -6.129 12.850 134 HG3 MET 14 3HG MET 14 2.630 -5.885 12.556 135 HE1 MET 14 1HE MET 14 2.361 -4.325 10.936 136 HE2 MET 14 2HE MET 14 2.139 -4.660 9.219 137 HE3 MET 14 3HE MET 14 0.747 -4.263 10.227 138 H ALA 15 H ALA 15 2.551 -8.489 15.659 139 HA ALA 15 HA ALA 15 3.217 -5.946 16.798 140 HB1 ALA 15 1HB ALA 15 1.330 -6.687 17.809 141 HB2 ALA 15 2HB ALA 15 1.799 -8.384 17.691 142 HB3 ALA 15 3HB ALA 15 2.498 -7.361 18.945 143 H HIS 16 H HIS 16 5.113 -8.506 16.089 144 HA HIS 16 HA HIS 16 6.781 -8.255 18.494 145 HB2 HIS 16 2HB HIS 16 6.109 -10.456 16.771 146 HB3 HIS 16 3HB HIS 16 7.854 -10.219 16.770 147 HD1 HIS 16 HD1 HIS 16 5.254 -11.867 18.608 148 HD2 HIS 16 HD2 HIS 16 8.894 -10.113 19.573 149 HE1 HIS 16 HE1 HIS 16 5.871 -12.796 20.862 150 H ILE 17 H ILE 17 6.574 -7.336 15.218 151 HA ILE 17 HA ILE 17 9.206 -7.200 14.383 152 HB ILE 17 HB ILE 17 8.555 -5.464 12.859 153 HG12 ILE 17 2HG1 ILE 17 6.306 -5.043 14.807 154 HG13 ILE 17 3HG1 ILE 17 7.428 -3.860 14.145 155 HG21 ILE 17 1HG2 ILE 17 6.068 -7.106 13.170 156 HG22 ILE 17 2HG2 ILE 17 6.871 -6.577 11.693 157 HG23 ILE 17 3HG2 ILE 17 7.596 -7.841 12.686 158 HD11 ILE 17 1HD1 ILE 17 5.126 -5.180 12.738 159 HD12 ILE 17 2HD1 ILE 17 5.295 -3.480 13.174 160 HD13 ILE 17 3HD1 ILE 17 6.331 -4.178 11.930 161 H ARG 18 H ARG 18 7.418 -4.995 16.478 162 HA ARG 18 HA ARG 18 9.157 -2.857 16.598 163 HB2 ARG 18 2HB ARG 18 7.756 -3.945 19.033 164 HB3 ARG 18 3HB ARG 18 8.140 -2.271 18.658 165 HG2 ARG 18 2HG ARG 18 6.065 -4.008 17.348 166 HG3 ARG 18 3HG ARG 18 5.801 -2.580 18.352 167 HD2 ARG 18 2HD ARG 18 6.902 -1.194 16.659 168 HD3 ARG 18 3HD ARG 18 7.159 -2.623 15.659 169 HE ARG 18 HE ARG 18 4.487 -2.621 16.024 170 HH11 ARG 18 1HH1 ARG 18 6.741 -0.182 14.977 171 HH12 ARG 18 2HH1 ARG 18 5.593 0.630 13.965 172 HH21 ARG 18 1HH2 ARG 18 2.966 -1.560 14.695 173 HH22 ARG 18 2HH2 ARG 18 3.446 -0.154 13.806 174 H CYS 19 H CYS 19 9.026 -5.218 19.251 175 HA CYS 19 HA CYS 19 10.635 -6.048 20.626 176 HB2 CYS 19 2HB CYS 19 11.437 -6.598 18.042 177 HB3 CYS 19 3HB CYS 19 12.863 -5.841 18.741 178 HG CYS 19 HG CYS 19 11.282 -8.649 19.887 Start of MODEL 20 1 H1 PHE 1 H PHE 1 2.908 1.633 -1.640 2 HA PHE 1 HA PHE 1 1.878 -0.548 -0.804 3 HB2 PHE 1 2HB PHE 1 1.931 0.291 -3.685 4 HB3 PHE 1 3HB PHE 1 1.053 -1.157 -3.202 5 HD1 PHE 1 HD1 PHE 1 0.483 2.013 -4.098 6 HD2 PHE 1 HD2 PHE 1 -0.245 -0.535 -0.768 7 HE1 PHE 1 HE1 PHE 1 -1.445 3.403 -3.461 8 HE2 PHE 1 HE2 PHE 1 -2.174 0.849 -0.125 9 HZ PHE 1 HZ PHE 1 -2.778 2.821 -1.473 10 H LEU 2 H LEU 2 2.538 -2.523 -0.313 11 HA LEU 2 HA LEU 2 4.247 -3.964 -2.223 12 HB2 LEU 2 2HB LEU 2 4.784 -3.278 0.579 13 HB3 LEU 2 3HB LEU 2 5.058 -4.971 0.173 14 HG LEU 2 HG LEU 2 6.437 -3.897 -1.816 15 HD11 LEU 2 1HD1 LEU 2 6.523 -1.784 0.332 16 HD12 LEU 2 2HD1 LEU 2 5.896 -1.596 -1.305 17 HD13 LEU 2 3HD1 LEU 2 7.617 -1.880 -1.047 18 HD21 LEU 2 1HD2 LEU 2 7.640 -3.896 0.936 19 HD22 LEU 2 2HD2 LEU 2 8.390 -4.340 -0.597 20 HD23 LEU 2 3HD2 LEU 2 7.167 -5.388 0.122 21 HA PRO 3 HA PRO 3 1.566 -7.400 -1.724 22 HB2 PRO 3 2HB PRO 3 3.285 -9.501 -1.776 23 HB3 PRO 3 3HB PRO 3 2.900 -8.539 -3.208 24 HG2 PRO 3 2HG PRO 3 5.279 -8.373 -1.399 25 HG3 PRO 3 3HG PRO 3 5.212 -8.300 -3.170 26 HD2 PRO 3 2HD PRO 3 5.447 -6.086 -1.628 27 HD3 PRO 3 3HD PRO 3 4.585 -6.082 -3.180 28 H LYS 4 H LYS 4 0.519 -7.848 0.104 29 HA LYS 4 HA LYS 4 2.078 -8.777 2.427 30 HB2 LYS 4 2HB LYS 4 -0.242 -7.930 3.545 31 HB3 LYS 4 3HB LYS 4 1.200 -6.934 3.397 32 HG2 LYS 4 2HG LYS 4 0.334 -5.695 1.666 33 HG3 LYS 4 3HG LYS 4 -0.786 -6.968 1.174 34 HD2 LYS 4 2HD LYS 4 -1.982 -5.110 2.204 35 HD3 LYS 4 3HD LYS 4 -2.121 -6.567 3.191 36 HE2 LYS 4 2HE LYS 4 -1.257 -5.494 4.932 37 HE3 LYS 4 3HE LYS 4 0.197 -5.122 4.007 38 HZ1 LYS 4 1HZ LYS 4 -1.262 -3.253 3.023 39 HZ2 LYS 4 2HZ LYS 4 -0.589 -3.048 4.561 40 HZ3 LYS 4 3HZ LYS 4 -2.216 -3.484 4.402 41 H LEU 5 H LEU 5 1.118 -10.481 0.359 42 HA LEU 5 HA LEU 5 -1.287 -11.713 0.636 43 HB2 LEU 5 2HB LEU 5 0.067 -13.890 0.193 44 HB3 LEU 5 3HB LEU 5 0.003 -12.619 -1.026 45 HG LEU 5 HG LEU 5 2.274 -12.403 0.815 46 HD11 LEU 5 1HD1 LEU 5 1.949 -14.806 -0.965 47 HD12 LEU 5 2HD1 LEU 5 2.306 -14.772 0.761 48 HD13 LEU 5 3HD1 LEU 5 3.514 -14.223 -0.400 49 HD21 LEU 5 1HD2 LEU 5 3.378 -11.656 -1.070 50 HD22 LEU 5 2HD2 LEU 5 1.715 -11.175 -1.407 51 HD23 LEU 5 3HD2 LEU 5 2.387 -12.620 -2.164 52 H PHE 6 H PHE 6 1.511 -12.066 2.749 53 HA PHE 6 HA PHE 6 -0.192 -13.566 4.628 54 HB2 PHE 6 2HB PHE 6 1.972 -14.637 3.442 55 HB3 PHE 6 3HB PHE 6 2.752 -13.874 4.823 56 HD1 PHE 6 HD1 PHE 6 2.821 -14.970 6.857 57 HD2 PHE 6 HD2 PHE 6 -0.056 -16.151 3.951 58 HE1 PHE 6 HE1 PHE 6 2.177 -16.875 8.274 59 HE2 PHE 6 HE2 PHE 6 -0.705 -18.057 5.364 60 HZ PHE 6 HZ PHE 6 0.411 -18.421 7.529 61 H ALA 7 H ALA 7 1.510 -10.750 4.062 62 HA ALA 7 HA ALA 7 2.486 -10.210 6.687 63 HB1 ALA 7 1HB ALA 7 2.872 -9.081 4.235 64 HB2 ALA 7 2HB ALA 7 1.848 -7.884 5.030 65 HB3 ALA 7 3HB ALA 7 3.374 -8.369 5.769 66 H LYS 8 H LYS 8 -0.570 -9.808 5.076 67 HA LYS 8 HA LYS 8 -1.621 -8.070 7.157 68 HB2 LYS 8 2HB LYS 8 -3.706 -8.135 5.821 69 HB3 LYS 8 3HB LYS 8 -2.313 -7.611 4.883 70 HG2 LYS 8 2HG LYS 8 -2.631 -9.232 3.412 71 HG3 LYS 8 3HG LYS 8 -2.600 -10.455 4.685 72 HD2 LYS 8 2HD LYS 8 -4.710 -10.712 3.724 73 HD3 LYS 8 3HD LYS 8 -5.023 -9.726 5.154 74 HE2 LYS 8 2HE LYS 8 -5.491 -7.856 3.930 75 HE3 LYS 8 3HE LYS 8 -4.423 -8.323 2.607 76 HZ1 LYS 8 1HZ LYS 8 -6.019 -9.655 1.667 77 HZ2 LYS 8 2HZ LYS 8 -6.975 -8.407 2.290 78 HZ3 LYS 8 3HZ LYS 8 -6.865 -9.879 3.115 79 H ILE 9 H ILE 9 -1.796 -11.413 6.129 80 HA ILE 9 HA ILE 9 -3.967 -12.130 7.841 81 HB ILE 9 HB ILE 9 -3.665 -14.327 7.140 82 HG12 ILE 9 2HG1 ILE 9 -1.322 -14.826 5.936 83 HG13 ILE 9 3HG1 ILE 9 -0.788 -13.581 7.060 84 HG21 ILE 9 1HG2 ILE 9 -3.748 -12.373 5.275 85 HG22 ILE 9 2HG2 ILE 9 -2.323 -13.267 4.749 86 HG23 ILE 9 3HG2 ILE 9 -3.872 -14.094 4.911 87 HD11 ILE 9 1HD1 ILE 9 -1.626 -16.348 7.558 88 HD12 ILE 9 2HD1 ILE 9 -0.482 -15.327 8.429 89 HD13 ILE 9 3HD1 ILE 9 -2.213 -15.156 8.717 90 H THR 10 H THR 10 -0.527 -11.864 8.213 91 HA THR 10 HA THR 10 -0.460 -13.401 10.667 92 HB THR 10 HB THR 10 1.930 -12.565 10.776 93 HG1 THR 10 HG1 THR 10 2.485 -11.060 9.407 94 HG21 THR 10 1HG2 THR 10 1.371 -14.756 9.850 95 HG22 THR 10 2HG2 THR 10 2.697 -14.019 8.951 96 HG23 THR 10 3HG2 THR 10 1.068 -14.024 8.275 97 H LYS 11 H LYS 11 -0.967 -12.601 12.588 98 HA LYS 11 HA LYS 11 -0.707 -9.697 13.020 99 HB2 LYS 11 2HB LYS 11 -2.570 -10.044 14.731 100 HB3 LYS 11 3HB LYS 11 -3.025 -10.119 13.033 101 HG2 LYS 11 2HG LYS 11 -2.319 -12.651 14.421 102 HG3 LYS 11 3HG LYS 11 -3.880 -11.901 14.763 103 HD2 LYS 11 2HD LYS 11 -4.095 -11.770 12.179 104 HD3 LYS 11 3HD LYS 11 -2.831 -13.002 12.184 105 HE2 LYS 11 2HE LYS 11 -4.194 -14.505 13.430 106 HE3 LYS 11 3HE LYS 11 -5.389 -13.250 13.753 107 HZ1 LYS 11 1HZ LYS 11 -6.361 -14.395 12.041 108 HZ2 LYS 11 2HZ LYS 11 -4.896 -14.748 11.275 109 HZ3 LYS 11 3HZ LYS 11 -5.547 -13.190 11.177 110 H LYS 12 H LYS 12 0.999 -12.213 13.600 111 HA LYS 12 HA LYS 12 1.309 -11.825 16.497 112 HB2 LYS 12 2HB LYS 12 2.904 -13.948 15.269 113 HB3 LYS 12 3HB LYS 12 1.849 -14.003 16.676 114 HG2 LYS 12 2HG LYS 12 -0.084 -14.015 15.010 115 HG3 LYS 12 3HG LYS 12 1.137 -14.381 13.788 116 HD2 LYS 12 2HD LYS 12 0.430 -16.492 14.417 117 HD3 LYS 12 3HD LYS 12 1.848 -16.259 15.442 118 HE2 LYS 12 2HE LYS 12 0.393 -16.957 17.038 119 HE3 LYS 12 3HE LYS 12 0.003 -15.238 17.068 120 HZ1 LYS 12 1HZ LYS 12 -1.702 -15.940 15.250 121 HZ2 LYS 12 2HZ LYS 12 -2.064 -16.166 16.887 122 HZ3 LYS 12 3HZ LYS 12 -1.537 -17.472 15.949 123 H ASN 13 H ASN 13 3.546 -12.697 13.863 124 HA ASN 13 HA ASN 13 5.784 -11.494 15.065 125 HB2 ASN 13 2HB ASN 13 5.200 -12.921 12.637 126 HB3 ASN 13 3HB ASN 13 6.213 -11.527 12.273 127 HD21 ASN 13 1HD2 ASN 13 8.251 -11.352 13.287 128 HD22 ASN 13 2HD2 ASN 13 9.057 -12.749 13.905 129 H MET 14 H MET 14 3.169 -10.154 13.323 130 HA MET 14 HA MET 14 4.352 -7.923 12.123 131 HB2 MET 14 2HB MET 14 1.984 -8.737 11.815 132 HB3 MET 14 3HB MET 14 1.600 -7.996 13.363 133 HG2 MET 14 2HG MET 14 1.165 -6.121 12.279 134 HG3 MET 14 3HG MET 14 2.883 -6.001 11.904 135 HE1 MET 14 1HE MET 14 0.179 -5.059 10.761 136 HE2 MET 14 2HE MET 14 0.883 -4.721 9.180 137 HE3 MET 14 3HE MET 14 -0.441 -5.878 9.326 138 H ALA 15 H ALA 15 2.793 -8.182 15.319 139 HA ALA 15 HA ALA 15 3.610 -5.548 16.099 140 HB1 ALA 15 1HB ALA 15 1.729 -7.381 16.993 141 HB2 ALA 15 2HB ALA 15 2.902 -7.278 18.307 142 HB3 ALA 15 3HB ALA 15 2.107 -5.818 17.718 143 H HIS 16 H HIS 16 5.366 -8.265 15.675 144 HA HIS 16 HA HIS 16 7.124 -7.785 17.979 145 HB2 HIS 16 2HB HIS 16 6.289 -10.159 16.590 146 HB3 HIS 16 3HB HIS 16 8.042 -10.015 16.507 147 HD1 HIS 16 HD1 HIS 16 8.678 -11.784 18.175 148 HD2 HIS 16 HD2 HIS 16 5.926 -9.066 19.692 149 HE1 HIS 16 HE1 HIS 16 8.505 -12.301 20.630 150 H ILE 17 H ILE 17 6.844 -7.300 14.618 151 HA ILE 17 HA ILE 17 9.442 -7.416 13.688 152 HB ILE 17 HB ILE 17 8.824 -5.844 11.979 153 HG12 ILE 17 2HG1 ILE 17 6.668 -5.073 13.926 154 HG13 ILE 17 3HG1 ILE 17 7.824 -4.039 13.094 155 HG21 ILE 17 1HG2 ILE 17 7.050 -7.004 11.013 156 HG22 ILE 17 2HG2 ILE 17 7.748 -8.171 12.134 157 HG23 ILE 17 3HG2 ILE 17 6.275 -7.305 12.568 158 HD11 ILE 17 1HD1 ILE 17 5.413 -5.396 11.924 159 HD12 ILE 17 2HD1 ILE 17 5.680 -3.666 12.144 160 HD13 ILE 17 3HD1 ILE 17 6.638 -4.564 10.966 161 H ARG 18 H ARG 18 7.853 -4.840 15.508 162 HA ARG 18 HA ARG 18 9.924 -2.938 15.310 163 HB2 ARG 18 2HB ARG 18 7.451 -2.734 16.176 164 HB3 ARG 18 3HB ARG 18 8.178 -3.098 17.735 165 HG2 ARG 18 2HG ARG 18 9.363 -1.123 17.797 166 HG3 ARG 18 3HG ARG 18 9.321 -0.923 16.044 167 HD2 ARG 18 2HD ARG 18 6.733 -0.749 16.448 168 HD3 ARG 18 3HD ARG 18 7.232 -0.312 18.081 169 HE ARG 18 HE ARG 18 8.678 1.214 16.204 170 HH11 ARG 18 1HH1 ARG 18 5.483 0.886 17.547 171 HH12 ARG 18 2HH1 ARG 18 5.065 2.548 17.295 172 HH21 ARG 18 1HH2 ARG 18 8.139 3.404 15.867 173 HH22 ARG 18 2HH2 ARG 18 6.576 3.980 16.339 174 H CYS 19 H CYS 19 9.016 -4.634 18.305 175 HA CYS 19 HA CYS 19 11.297 -4.185 19.738 176 HB2 CYS 19 2HB CYS 19 10.705 -6.061 21.118 177 HB3 CYS 19 3HB CYS 19 9.214 -5.301 20.573 178 HG CYS 19 HG CYS 19 9.958 -7.602 18.396
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