NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
587278 | 2muj | 25215 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 H TYR 1 -19.625 -5.682 1.358 2 HA TYR 1 HA TYR 1 -18.465 -3.698 1.626 3 HB2 TYR 1 HB3 TYR 1 -18.174 -4.236 4.632 4 HB3 TYR 1 HB2 TYR 1 -17.764 -2.745 3.800 5 HD1 TYR 1 HD2 TYR 1 -19.621 -1.376 2.641 6 HD2 TYR 1 HD3 TYR 1 -20.499 -4.653 5.290 7 HE1 TYR 1 HE2 TYR 1 -21.910 -0.532 2.940 8 HE2 TYR 1 HE3 TYR 1 -22.782 -3.796 5.581 9 HH TYR 1 HH TYR 1 -24.248 -2.220 5.037 10 H ASP 2 H ASP 2 -16.684 -3.823 0.497 11 HA ASP 2 HA ASP 2 -14.080 -4.570 1.836 12 HB2 ASP 2 HB3 ASP 2 -14.913 -6.707 0.734 13 HB3 ASP 2 HB2 ASP 2 -14.905 -5.913 -0.829 14 HD2 ASP 2 HD2 ASP 2 -11.490 -6.175 -1.296 15 H ASN 3 H ASN 3 -12.411 -3.326 1.088 16 HA ASN 3 HA ASN 3 -12.517 -1.728 -1.327 17 HB2 ASN 3 HB3 ASN 3 -12.612 -0.154 1.336 18 HB3 ASN 3 HB2 ASN 3 -12.086 0.521 -0.188 19 HD21 ASN 3 HD22 ASN 3 -14.838 -0.133 1.717 20 HD22 ASN 3 HD21 ASN 3 -16.078 0.419 0.482 21 H ILE 4 H ILE 4 -10.921 -3.539 -1.238 22 HA ILE 4 HA ILE 4 -8.490 -3.204 0.286 23 HB ILE 4 HB ILE 4 -9.327 -5.363 -0.498 24 HG12 ILE 4 HG12 ILE 4 -6.437 -4.920 -1.440 25 HG13 ILE 4 HG11 ILE 4 -6.914 -4.931 0.249 26 HG21 ILE 4 HG21 ILE 4 -8.948 -6.211 -2.787 27 HG22 ILE 4 HG22 ILE 4 -9.975 -4.768 -2.859 28 HG23 ILE 4 HG23 ILE 4 -8.253 -4.649 -3.301 29 HD11 ILE 4 HD11 ILE 4 -6.040 -7.142 -0.339 30 HD12 ILE 4 HD12 ILE 4 -7.203 -7.327 -1.670 31 HD13 ILE 4 HD13 ILE 4 -7.775 -7.306 0.020 32 H LEU 5 H LEU 5 -9.396 -1.800 -2.762 33 HA LEU 5 HA LEU 5 -6.721 -1.211 -3.737 34 HB2 LEU 5 HB3 LEU 5 -8.886 -1.341 -5.168 35 HB3 LEU 5 HB2 LEU 5 -9.387 0.181 -4.475 36 HG LEU 5 HG LEU 5 -7.343 1.287 -5.495 37 HD11 LEU 5 HD21 LEU 5 -6.093 0.121 -7.339 38 HD12 LEU 5 HD22 LEU 5 -5.805 -0.665 -5.780 39 HD13 LEU 5 HD23 LEU 5 -6.922 -1.409 -6.951 40 HD21 LEU 5 HD11 LEU 5 -9.565 1.399 -6.615 41 HD22 LEU 5 HD12 LEU 5 -8.259 1.349 -7.813 42 HD23 LEU 5 HD13 LEU 5 -9.228 -0.113 -7.495 43 H VAL 6 H VAL 6 -8.974 0.839 -1.918 44 HA VAL 6 HA VAL 6 -7.286 3.237 -1.852 45 HB VAL 6 HB VAL 6 -9.859 2.935 -1.236 46 HG11 VAL 6 HG11 VAL 6 -9.659 1.370 0.651 47 HG12 VAL 6 HG12 VAL 6 -8.863 2.641 1.621 48 HG13 VAL 6 HG13 VAL 6 -10.536 2.866 1.046 49 HG21 VAL 6 HG21 VAL 6 -8.104 4.850 0.434 50 HG22 VAL 6 HG22 VAL 6 -9.831 5.070 0.047 51 HG23 VAL 6 HG23 VAL 6 -8.615 5.138 -1.250 52 H LYS 7 H LYS 7 -7.538 0.703 0.472 53 HA LYS 7 HA LYS 7 -5.383 1.535 2.259 54 HB2 LYS 7 HB2 LYS 7 -6.168 -1.407 1.765 55 HB3 LYS 7 HB3 LYS 7 -5.318 -0.780 3.158 56 HG2 LYS 7 HG2 LYS 7 -8.285 -0.318 2.456 57 HG3 LYS 7 HG3 LYS 7 -7.620 -1.351 3.701 58 HD2 LYS 7 HD2 LYS 7 -6.677 0.687 4.916 59 HD3 LYS 7 HD3 LYS 7 -7.362 1.717 3.668 60 HE2 LYS 7 HE3 LYS 7 -8.891 1.823 5.505 61 HE3 LYS 7 HE2 LYS 7 -9.704 0.880 4.259 62 HZ2 LYS 7 HZ2 LYS 7 -9.076 -1.135 5.460 63 HZ3 LYS 7 HZ3 LYS 7 -9.962 -0.133 6.400 64 H MET 8 H MET 8 -5.155 -0.595 -0.602 65 HA MET 8 HA MET 8 -2.299 -1.117 -0.321 66 HB2 MET 8 HB2 MET 8 -4.008 -1.515 -2.746 67 HB3 MET 8 HB3 MET 8 -2.340 -2.008 -2.614 68 HG2 MET 8 HG3 MET 8 -4.759 -3.282 -1.239 69 HG3 MET 8 HG2 MET 8 -3.452 -3.976 -2.194 70 HE1 MET 8 HE1 MET 8 -2.857 -5.682 1.310 71 HE2 MET 8 HE2 MET 8 -4.459 -5.193 0.686 72 HE3 MET 8 HE3 MET 8 -3.258 -5.940 -0.414 73 H PHE 9 H PHE 9 -3.852 1.752 -1.591 74 HA PHE 9 HA PHE 9 -1.666 2.543 -3.440 75 HB2 PHE 9 HB2 PHE 9 -3.779 4.313 -2.079 76 HB3 PHE 9 HB3 PHE 9 -2.625 4.895 -3.246 77 HD1 PHE 9 HD1 PHE 9 -2.649 2.944 -5.495 78 HD2 PHE 9 HD2 PHE 9 -5.880 4.534 -3.132 79 HE1 PHE 9 HE1 PHE 9 -4.177 2.704 -7.400 80 HE2 PHE 9 HE2 PHE 9 -7.390 4.284 -5.052 81 HZ PHE 9 HZ PHE 9 -6.543 3.386 -7.192 82 H LYS 10 H LYS 10 -2.526 3.652 -0.186 83 HA LYS 10 HA LYS 10 0.070 5.043 0.211 84 HB2 LYS 10 HB2 LYS 10 -1.940 4.192 2.452 85 HB3 LYS 10 HB3 LYS 10 -0.632 5.271 2.732 86 HG2 LYS 10 HG3 LYS 10 -2.065 6.919 2.426 87 HG3 LYS 10 HG2 LYS 10 -1.908 6.750 0.710 88 HD2 LYS 10 HD3 LYS 10 -3.892 5.139 0.688 89 HD3 LYS 10 HD2 LYS 10 -4.079 5.387 2.428 90 HE2 LYS 10 HE3 LYS 10 -4.456 7.867 2.044 91 HE3 LYS 10 HE2 LYS 10 -4.250 7.634 0.301 92 HZ2 LYS 10 HZ2 LYS 10 -6.158 6.165 0.308 93 HZ3 LYS 10 HZ3 LYS 10 -6.554 7.641 0.888 94 H THR 11 H THR 11 -0.952 1.776 1.196 95 HA THR 11 HA THR 11 1.335 1.193 2.851 96 HB THR 11 HB THR 11 -0.431 -0.763 1.273 97 HG1 THR 11 HG1 THR 11 -1.469 -0.919 3.274 98 HG21 THR 11 HG21 THR 11 0.182 -2.444 3.021 99 HG22 THR 11 HG22 THR 11 1.352 -1.305 3.738 100 HG23 THR 11 HG23 THR 11 1.619 -1.951 2.097 101 H ASN 12 H ASN 12 0.802 0.420 -0.585 102 HA ASN 12 HA ASN 12 3.455 -0.612 -1.092 103 HB2 ASN 12 HB2 ASN 12 1.298 -1.051 -2.476 104 HB3 ASN 12 HB3 ASN 12 1.446 0.544 -3.155 105 HD21 ASN 12 HD22 ASN 12 2.926 -2.660 -3.010 106 HD22 ASN 12 HD21 ASN 12 3.906 -2.464 -4.549 107 H GLU 13 H GLU 13 2.219 2.776 -1.445 108 HA GLU 13 HA GLU 13 4.556 3.776 -2.830 109 HB2 GLU 13 HB2 GLU 13 2.322 4.882 -2.896 110 HB3 GLU 13 HB3 GLU 13 2.455 5.295 -1.196 111 HG2 GLU 13 HG3 GLU 13 2.932 7.268 -2.532 112 HG3 GLU 13 HG2 GLU 13 4.396 6.815 -1.685 113 HE2 GLU 13 HE2 GLU 13 4.120 6.615 -5.730 114 H ASN 14 H ASN 14 3.652 4.102 0.595 115 HA ASN 14 HA ASN 14 6.163 5.302 1.418 116 HB2 ASN 14 HB2 ASN 14 3.989 4.009 3.158 117 HB3 ASN 14 HB3 ASN 14 5.400 4.802 3.816 118 HD21 ASN 14 HD22 ASN 14 2.240 5.373 2.809 119 HD22 ASN 14 HD21 ASN 14 2.334 7.205 2.823 120 H ASN 15 H ASN 15 5.031 1.971 2.045 121 HA ASN 15 HA ASN 15 7.648 1.117 3.069 122 HB2 ASN 15 HB2 ASN 15 5.340 0.152 3.814 123 HB3 ASN 15 HB3 ASN 15 5.279 -0.722 2.309 124 HD21 ASN 15 HD22 ASN 15 6.382 -2.682 2.245 125 HD22 ASN 15 HD21 ASN 15 7.424 -3.307 3.620 126 H ASP 16 H ASP 16 5.923 0.118 0.089 127 HA ASP 16 HA ASP 16 6.741 -0.739 -1.936 128 HB2 ASP 16 HB2 ASP 16 7.608 1.666 -1.984 129 HB3 ASP 16 HB3 ASP 16 9.167 1.060 -1.455 130 HD2 ASP 16 HD2 ASP 16 9.341 2.395 -3.350 131 H LYS 17 H LYS 17 6.914 -2.584 -0.255 132 HA LYS 17 HA LYS 17 7.724 -4.649 0.239 133 HB2 LYS 17 HB3 LYS 17 8.331 -4.756 -2.150 134 HB3 LYS 17 HB2 LYS 17 9.901 -4.097 -1.786 135 HG2 LYS 17 HG3 LYS 17 10.089 -6.500 -2.155 136 HG3 LYS 17 HG2 LYS 17 10.475 -6.190 -0.467 137 HD2 LYS 17 HD3 LYS 17 8.148 -6.895 0.211 138 HD3 LYS 17 HD2 LYS 17 7.704 -7.119 -1.482 139 HE2 LYS 17 HE2 LYS 17 9.483 -8.943 -1.695 140 HE3 LYS 17 HE3 LYS 17 9.914 -8.712 0.006 141 HZ2 LYS 17 HZ2 LYS 17 7.235 -9.524 -0.982 142 HZ3 LYS 17 HZ3 LYS 17 7.622 -9.299 0.590 143 H SER 18 H SER 18 10.306 -2.238 0.461 144 HA SER 18 HA SER 18 11.088 -3.406 3.185 145 HB2 SER 18 HB3 SER 18 12.923 -3.945 1.328 146 HB3 SER 18 HB2 SER 18 13.134 -2.211 1.178 147 HG SER 18 HG SER 18 14.556 -3.140 2.652 148 H GLU 19 H GLU 19 12.252 -0.428 1.600 149 HA GLU 19 HA GLU 19 10.334 1.305 3.058 150 HB2 GLU 19 HB2 GLU 19 11.973 0.773 4.870 151 HB3 GLU 19 HB3 GLU 19 13.330 1.269 3.862 152 HG2 GLU 19 HG3 GLU 19 12.490 3.603 3.806 153 HG3 GLU 19 HG2 GLU 19 11.028 3.138 4.681 154 HE2 GLU 19 HE2 GLU 19 11.182 2.569 6.732 155 H LEU 20 H LEU 20 9.840 1.976 1.045 156 HA LEU 20 HA LEU 20 10.014 3.146 -1.216 157 HB2 LEU 20 HB3 LEU 20 10.168 4.886 0.822 158 HB3 LEU 20 HB2 LEU 20 11.869 4.877 0.485 159 HG LEU 20 HG LEU 20 11.299 5.638 -1.946 160 HD11 LEU 20 HD21 LEU 20 8.892 4.927 -2.051 161 HD12 LEU 20 HD22 LEU 20 9.042 6.669 -2.323 162 HD13 LEU 20 HD23 LEU 20 8.478 6.065 -0.746 163 HD21 LEU 20 HD11 LEU 20 10.456 7.502 0.364 164 HD22 LEU 20 HD12 LEU 20 12.120 7.231 -0.209 165 HD23 LEU 20 HD13 LEU 20 10.936 8.008 -1.275 166 H ILE 21 H ILE 21 11.542 0.881 -1.470 167 HA ILE 21 HA ILE 21 14.070 1.767 -2.816 168 HB ILE 21 HB ILE 21 14.421 -0.693 -3.033 169 HG12 ILE 21 HG11 ILE 21 12.238 -1.157 -0.934 170 HG13 ILE 21 HG12 ILE 21 11.965 -1.429 -2.642 171 HG21 ILE 21 HG21 ILE 21 14.192 0.359 -0.145 172 HG22 ILE 21 HG22 ILE 21 15.271 -0.941 -0.704 173 HG23 ILE 21 HG23 ILE 21 15.521 0.715 -1.274 174 HD11 ILE 21 HD11 ILE 21 13.790 -3.153 -2.730 175 HD12 ILE 21 HD12 ILE 21 12.517 -3.560 -1.554 176 HD13 ILE 21 HD13 ILE 21 14.078 -2.933 -0.983 Start of MODEL 2 1 H1 TYR 1 H TYR 1 -15.199 -6.522 -2.565 2 HA TYR 1 HA TYR 1 -13.190 -7.532 -0.501 3 HB2 TYR 1 HB3 TYR 1 -12.388 -5.606 -2.781 4 HB3 TYR 1 HB2 TYR 1 -11.417 -5.976 -1.360 5 HD1 TYR 1 HD2 TYR 1 -10.561 -8.378 -0.979 6 HD2 TYR 1 HD3 TYR 1 -12.297 -7.116 -4.710 7 HE1 TYR 1 HE2 TYR 1 -9.507 -10.280 -2.122 8 HE2 TYR 1 HE3 TYR 1 -11.238 -9.022 -5.839 9 HH TYR 1 HH TYR 1 -9.945 -10.814 -5.621 10 H ASP 2 H ASP 2 -13.270 -6.352 1.232 11 HA ASP 2 HA ASP 2 -14.991 -3.857 1.337 12 HB2 ASP 2 HB2 ASP 2 -15.319 -5.724 3.017 13 HB3 ASP 2 HB3 ASP 2 -13.762 -5.343 3.742 14 HD2 ASP 2 HD2 ASP 2 -14.962 -2.754 5.611 15 H ASN 3 H ASN 3 -13.901 -2.116 0.677 16 HA ASN 3 HA ASN 3 -12.509 -0.350 0.558 17 HB2 ASN 3 HB2 ASN 3 -11.588 0.735 2.428 18 HB3 ASN 3 HB3 ASN 3 -13.151 0.105 2.822 19 HD21 ASN 3 HD21 ASN 3 -9.807 0.085 3.698 20 HD22 ASN 3 HD22 ASN 3 -10.016 -0.960 5.192 21 H ILE 4 H ILE 4 -11.576 -2.146 -0.917 22 HA ILE 4 HA ILE 4 -8.808 -2.830 -0.508 23 HB ILE 4 HB ILE 4 -10.263 -4.125 -1.942 24 HG12 ILE 4 HG12 ILE 4 -7.785 -3.228 -3.520 25 HG13 ILE 4 HG11 ILE 4 -7.697 -4.193 -2.058 26 HG21 ILE 4 HG21 ILE 4 -10.813 -3.524 -4.269 27 HG22 ILE 4 HG22 ILE 4 -9.979 -1.955 -4.112 28 HG23 ILE 4 HG23 ILE 4 -11.461 -2.285 -3.179 29 HD11 ILE 4 HD11 ILE 4 -9.031 -6.039 -3.120 30 HD12 ILE 4 HD12 ILE 4 -7.549 -5.664 -4.027 31 HD13 ILE 4 HD13 ILE 4 -9.122 -5.105 -4.637 32 H LEU 5 H LEU 5 -10.216 -0.024 -2.128 33 HA LEU 5 HA LEU 5 -7.637 1.015 -3.065 34 HB2 LEU 5 HB3 LEU 5 -10.355 2.473 -2.788 35 HB3 LEU 5 HB2 LEU 5 -8.962 3.222 -3.518 36 HG LEU 5 HG LEU 5 -10.309 0.679 -4.617 37 HD11 LEU 5 HD11 LEU 5 -11.825 2.658 -4.763 38 HD12 LEU 5 HD12 LEU 5 -10.560 3.598 -5.593 39 HD13 LEU 5 HD13 LEU 5 -11.273 2.164 -6.374 40 HD21 LEU 5 HD21 LEU 5 -8.135 2.469 -5.905 41 HD22 LEU 5 HD22 LEU 5 -8.982 1.125 -6.710 42 HD23 LEU 5 HD23 LEU 5 -7.913 0.795 -5.339 43 H VAL 6 H VAL 6 -9.629 1.809 -0.238 44 HA VAL 6 HA VAL 6 -7.928 3.936 0.804 45 HB VAL 6 HB VAL 6 -9.668 2.103 2.572 46 HG11 VAL 6 HG21 VAL 6 -8.732 5.011 3.019 47 HG12 VAL 6 HG22 VAL 6 -9.813 4.079 4.088 48 HG13 VAL 6 HG23 VAL 6 -8.128 3.579 3.886 49 HG21 VAL 6 HG11 VAL 6 -11.129 2.950 0.796 50 HG22 VAL 6 HG12 VAL 6 -10.567 4.620 1.071 51 HG23 VAL 6 HG13 VAL 6 -11.501 3.748 2.330 52 H LYS 7 H LYS 7 -7.867 0.450 1.412 53 HA LYS 7 HA LYS 7 -5.574 0.465 3.254 54 HB2 LYS 7 HB2 LYS 7 -7.219 -1.377 3.267 55 HB3 LYS 7 HB3 LYS 7 -6.843 -1.807 1.611 56 HG2 LYS 7 HG1 LYS 7 -5.922 -3.436 3.165 57 HG3 LYS 7 HG2 LYS 7 -4.631 -2.698 2.240 58 HD2 LYS 7 HD3 LYS 7 -4.105 -1.186 4.238 59 HD3 LYS 7 HD2 LYS 7 -5.404 -1.964 5.148 60 HE2 LYS 7 HE3 LYS 7 -4.203 -4.201 4.935 61 HE3 LYS 7 HE2 LYS 7 -2.912 -3.419 4.010 62 HZ2 LYS 7 HZ2 LYS 7 -2.364 -3.646 6.340 63 HZ3 LYS 7 HZ3 LYS 7 -3.671 -2.783 6.808 64 H MET 8 H MET 8 -5.738 -0.170 -0.277 65 HA MET 8 HA MET 8 -2.866 -0.650 -0.557 66 HB2 MET 8 HB3 MET 8 -4.819 -0.090 -2.750 67 HB3 MET 8 HB2 MET 8 -3.154 -0.566 -2.977 68 HG2 MET 8 HG3 MET 8 -5.477 -2.314 -2.036 69 HG3 MET 8 HG2 MET 8 -4.248 -2.569 -3.275 70 HE1 MET 8 HE1 MET 8 -5.179 -4.731 -0.983 71 HE2 MET 8 HE2 MET 8 -3.590 -5.473 -0.632 72 HE3 MET 8 HE3 MET 8 -4.049 -5.108 -2.322 73 H PHE 9 H PHE 9 -4.543 2.369 -0.315 74 HA PHE 9 HA PHE 9 -2.671 4.006 -1.916 75 HB2 PHE 9 HB3 PHE 9 -5.012 4.716 -1.438 76 HB3 PHE 9 HB2 PHE 9 -4.684 4.803 0.272 77 HD1 PHE 9 HD2 PHE 9 -3.867 6.363 -3.054 78 HD2 PHE 9 HD1 PHE 9 -3.585 6.797 1.220 79 HE1 PHE 9 HE2 PHE 9 -3.167 8.707 -3.326 80 HE2 PHE 9 HE1 PHE 9 -2.883 9.136 0.927 81 HZ PHE 9 HZ PHE 9 -2.672 10.096 -1.341 82 H LYS 10 H LYS 10 -3.057 3.666 1.595 83 HA LYS 10 HA LYS 10 -0.406 4.872 2.147 84 HB2 LYS 10 HB3 LYS 10 -2.239 3.454 4.175 85 HB3 LYS 10 HB2 LYS 10 -0.744 4.175 4.652 86 HG2 LYS 10 HG3 LYS 10 -3.155 5.647 3.415 87 HG3 LYS 10 HG2 LYS 10 -2.554 5.666 5.063 88 HD2 LYS 10 HD3 LYS 10 -0.443 6.832 4.326 89 HD3 LYS 10 HD2 LYS 10 -1.080 6.897 2.677 90 HE2 LYS 10 HE2 LYS 10 -3.075 8.243 3.487 91 HE3 LYS 10 HE3 LYS 10 -2.424 8.209 5.133 92 HZ2 LYS 10 HZ2 LYS 10 -0.468 9.371 4.345 93 HZ3 LYS 10 HZ3 LYS 10 -1.823 10.225 4.020 94 H THR 11 H THR 11 -1.378 1.454 1.886 95 HA THR 11 HA THR 11 1.013 0.321 3.046 96 HB THR 11 HB THR 11 -0.913 -0.908 0.996 97 HG1 THR 11 HG1 THR 11 -0.731 -1.087 3.820 98 HG21 THR 11 HG21 THR 11 1.179 -2.289 1.092 99 HG22 THR 11 HG22 THR 11 -0.173 -3.126 1.888 100 HG23 THR 11 HG23 THR 11 1.085 -2.333 2.874 101 H ASN 12 H ASN 12 0.219 0.937 -0.372 102 HA ASN 12 HA ASN 12 2.849 0.243 -1.375 103 HB2 ASN 12 HB2 ASN 12 0.610 0.235 -2.704 104 HB3 ASN 12 HB3 ASN 12 0.718 1.967 -2.833 105 HD21 ASN 12 HD21 ASN 12 2.274 2.816 -4.332 106 HD22 ASN 12 HD22 ASN 12 3.168 1.730 -5.509 107 H GLU 13 H GLU 13 1.452 3.478 -0.516 108 HA GLU 13 HA GLU 13 3.692 4.996 -1.529 109 HB2 GLU 13 HB3 GLU 13 1.370 5.899 -1.156 110 HB3 GLU 13 HB2 GLU 13 1.614 5.811 0.579 111 HG2 GLU 13 HG2 GLU 13 1.862 8.111 -0.205 112 HG3 GLU 13 HG3 GLU 13 3.392 7.567 0.450 113 HE2 GLU 13 HE2 GLU 13 5.143 8.217 -2.413 114 H ASN 14 H ASN 14 3.162 3.665 1.711 115 HA ASN 14 HA ASN 14 5.678 4.848 2.735 116 HB2 ASN 14 HB2 ASN 14 3.622 3.081 4.156 117 HB3 ASN 14 HB3 ASN 14 5.097 3.641 4.903 118 HD21 ASN 14 HD22 ASN 14 1.879 4.521 4.253 119 HD22 ASN 14 HD21 ASN 14 2.013 6.249 4.856 120 H ASN 15 H ASN 15 4.565 1.456 2.671 121 HA ASN 15 HA ASN 15 7.257 0.418 3.030 122 HB2 ASN 15 HB2 ASN 15 5.009 -0.657 3.834 123 HB3 ASN 15 HB3 ASN 15 4.751 -1.195 2.201 124 HD21 ASN 15 HD22 ASN 15 6.806 -1.559 5.048 125 HD22 ASN 15 HD21 ASN 15 7.485 -3.190 4.555 126 H ASP 16 H ASP 16 5.476 0.935 0.035 127 HA ASP 16 HA ASP 16 7.522 -0.634 -1.500 128 HB2 ASP 16 HB2 ASP 16 5.126 -1.611 -1.593 129 HB3 ASP 16 HB3 ASP 16 4.654 -0.167 -2.465 130 HD2 ASP 16 HD2 ASP 16 6.892 -3.080 -4.177 131 H LYS 17 H LYS 17 8.117 1.834 -0.689 132 HA LYS 17 HA LYS 17 8.400 3.278 -3.282 133 HB2 LYS 17 HB2 LYS 17 6.709 4.183 -1.227 134 HB3 LYS 17 HB3 LYS 17 8.162 5.058 -0.847 135 HG2 LYS 17 HG3 LYS 17 6.920 6.507 -2.227 136 HG3 LYS 17 HG2 LYS 17 8.169 5.907 -3.314 137 HD2 LYS 17 HD2 LYS 17 6.528 4.220 -4.259 138 HD3 LYS 17 HD3 LYS 17 5.307 4.743 -3.103 139 HE2 LYS 17 HE3 LYS 17 5.347 7.086 -4.147 140 HE3 LYS 17 HE2 LYS 17 6.539 6.520 -5.326 141 HZ2 LYS 17 HZ2 LYS 17 4.934 4.907 -6.117 142 HZ3 LYS 17 HZ3 LYS 17 4.334 6.424 -6.223 143 H SER 18 H SER 18 9.686 3.491 0.010 144 HA SER 18 HA SER 18 12.411 4.256 -1.040 145 HB2 SER 18 HB3 SER 18 11.433 5.255 1.227 146 HB3 SER 18 HB2 SER 18 11.707 3.665 1.920 147 HG SER 18 HG SER 18 13.436 5.076 2.209 148 H GLU 19 H GLU 19 11.334 1.480 0.959 149 HA GLU 19 HA GLU 19 13.514 -0.213 -0.332 150 HB2 GLU 19 HB2 GLU 19 14.238 0.404 1.967 151 HB3 GLU 19 HB3 GLU 19 12.737 -0.202 2.665 152 HG2 GLU 19 HG2 GLU 19 13.274 -2.522 1.892 153 HG3 GLU 19 HG3 GLU 19 14.737 -1.940 1.096 154 HE2 GLU 19 HE2 GLU 19 13.136 -2.459 4.018 155 H LEU 20 H LEU 20 11.858 -0.727 -1.784 156 HA LEU 20 HA LEU 20 9.349 -1.871 -1.281 157 HB2 LEU 20 HB3 LEU 20 11.187 -2.564 -3.671 158 HB3 LEU 20 HB2 LEU 20 9.509 -2.966 -3.485 159 HG LEU 20 HG LEU 20 8.900 -0.508 -3.356 160 HD11 LEU 20 HD21 LEU 20 10.497 1.134 -4.461 161 HD12 LEU 20 HD22 LEU 20 11.800 -0.074 -4.345 162 HD13 LEU 20 HD23 LEU 20 11.063 0.617 -2.877 163 HD21 LEU 20 HD11 LEU 20 10.178 -1.516 -5.977 164 HD22 LEU 20 HD12 LEU 20 8.947 -0.235 -5.830 165 HD23 LEU 20 HD13 LEU 20 8.540 -1.903 -5.397 166 H ILE 21 H ILE 21 12.295 -3.795 -1.785 167 HA ILE 21 HA ILE 21 10.906 -6.231 -0.514 168 HB ILE 21 HB ILE 21 13.381 -6.297 -2.323 169 HG12 ILE 21 HG12 ILE 21 10.540 -7.341 -2.950 170 HG13 ILE 21 HG11 ILE 21 11.140 -5.798 -3.520 171 HG21 ILE 21 HG21 ILE 21 13.160 -8.793 -2.196 172 HG22 ILE 21 HG22 ILE 21 13.413 -8.123 -0.586 173 HG23 ILE 21 HG23 ILE 21 11.783 -8.638 -1.076 174 HD11 ILE 21 HD11 ILE 21 11.374 -7.407 -5.326 175 HD12 ILE 21 HD12 ILE 21 12.332 -8.516 -4.324 176 HD13 ILE 21 HD13 ILE 21 13.004 -6.931 -4.794 Start of MODEL 3 1 H1 TYR 1 H TYR 1 -12.565 -6.951 3.265 2 HA TYR 1 HA TYR 1 -15.078 -5.785 1.926 3 HB2 TYR 1 HB3 TYR 1 -13.131 -4.247 3.762 4 HB3 TYR 1 HB2 TYR 1 -14.305 -3.491 2.693 5 HD1 TYR 1 HD3 TYR 1 -16.799 -3.773 3.095 6 HD2 TYR 1 HD2 TYR 1 -13.891 -5.236 5.911 7 HE1 TYR 1 HE3 TYR 1 -18.540 -3.934 4.821 8 HE2 TYR 1 HE2 TYR 1 -15.641 -5.393 7.626 9 HH TYR 1 HH TYR 1 -19.015 -4.477 6.922 10 H ASP 2 H ASP 2 -14.603 -5.738 -0.112 11 HA ASP 2 HA ASP 2 -11.751 -5.439 -1.127 12 HB2 ASP 2 HB3 ASP 2 -13.284 -7.245 -2.061 13 HB3 ASP 2 HB2 ASP 2 -14.260 -6.004 -2.833 14 HD2 ASP 2 HD2 ASP 2 -12.044 -5.399 -5.399 15 H ASN 3 H ASN 3 -11.013 -3.408 -1.494 16 HA ASN 3 HA ASN 3 -12.538 -1.356 -2.841 17 HB2 ASN 3 HB3 ASN 3 -11.685 -0.729 0.077 18 HB3 ASN 3 HB2 ASN 3 -12.082 0.483 -1.120 19 HD21 ASN 3 HD22 ASN 3 -13.399 -1.505 1.284 20 HD22 ASN 3 HD21 ASN 3 -15.161 -1.142 0.924 21 H ILE 4 H ILE 4 -10.972 -1.274 -4.293 22 HA ILE 4 HA ILE 4 -8.212 -1.766 -3.968 23 HB ILE 4 HB ILE 4 -9.419 -1.815 -6.116 24 HG12 ILE 4 HG12 ILE 4 -7.609 -0.999 -7.632 25 HG13 ILE 4 HG11 ILE 4 -6.826 -0.171 -6.299 26 HG21 ILE 4 HG21 ILE 4 -9.729 0.183 -7.526 27 HG22 ILE 4 HG22 ILE 4 -9.086 1.244 -6.244 28 HG23 ILE 4 HG23 ILE 4 -10.625 0.380 -6.006 29 HD11 ILE 4 HD11 ILE 4 -7.272 -3.234 -6.484 30 HD12 ILE 4 HD12 ILE 4 -5.752 -2.377 -6.835 31 HD13 ILE 4 HD13 ILE 4 -6.386 -2.403 -5.177 32 H LEU 5 H LEU 5 -9.692 1.243 -3.147 33 HA LEU 5 HA LEU 5 -7.145 2.773 -3.187 34 HB2 LEU 5 HB2 LEU 5 -9.951 3.653 -2.227 35 HB3 LEU 5 HB3 LEU 5 -8.566 4.708 -2.163 36 HG LEU 5 HG LEU 5 -9.716 3.537 -4.771 37 HD11 LEU 5 HD21 LEU 5 -10.044 6.369 -3.584 38 HD12 LEU 5 HD22 LEU 5 -11.311 5.120 -3.679 39 HD13 LEU 5 HD23 LEU 5 -10.645 5.818 -5.168 40 HD21 LEU 5 HD11 LEU 5 -8.294 5.259 -5.938 41 HD22 LEU 5 HD12 LEU 5 -7.293 4.093 -5.062 42 HD23 LEU 5 HD13 LEU 5 -7.554 5.720 -4.385 43 H VAL 6 H VAL 6 -9.346 1.509 -0.711 44 HA VAL 6 HA VAL 6 -7.804 2.384 1.605 45 HB VAL 6 HB VAL 6 -9.595 -0.130 1.565 46 HG11 VAL 6 HG11 VAL 6 -9.914 0.333 3.999 47 HG12 VAL 6 HG12 VAL 6 -8.203 0.053 3.645 48 HG13 VAL 6 HG13 VAL 6 -8.788 1.712 3.911 49 HG21 VAL 6 HG21 VAL 6 -10.936 1.748 0.709 50 HG22 VAL 6 HG22 VAL 6 -10.463 2.763 2.094 51 HG23 VAL 6 HG23 VAL 6 -11.460 1.291 2.335 52 H LYS 7 H LYS 7 -7.632 -0.623 -0.243 53 HA LYS 7 HA LYS 7 -5.428 -1.850 1.319 54 HB2 LYS 7 HB3 LYS 7 -6.221 -2.521 -1.585 55 HB3 LYS 7 HB2 LYS 7 -5.201 -3.492 -0.549 56 HG2 LYS 7 HG3 LYS 7 -8.238 -3.056 -0.238 57 HG3 LYS 7 HG2 LYS 7 -7.404 -4.489 -0.791 58 HD2 LYS 7 HD2 LYS 7 -6.340 -4.812 1.467 59 HD3 LYS 7 HD3 LYS 7 -7.138 -3.351 2.063 60 HE2 LYS 7 HE2 LYS 7 -9.404 -4.379 1.620 61 HE3 LYS 7 HE3 LYS 7 -8.632 -5.851 1.009 62 HZ2 LYS 7 HZ2 LYS 7 -7.629 -6.180 3.172 63 HZ3 LYS 7 HZ3 LYS 7 -9.258 -6.099 3.293 64 H MET 8 H MET 8 -5.366 0.032 -1.736 65 HA MET 8 HA MET 8 -2.453 -0.161 -2.013 66 HB2 MET 8 HB3 MET 8 -4.312 1.686 -3.451 67 HB3 MET 8 HB2 MET 8 -2.608 1.518 -3.791 68 HG2 MET 8 HG2 MET 8 -4.837 -0.464 -4.439 69 HG3 MET 8 HG3 MET 8 -3.538 0.182 -5.432 70 HE1 MET 8 HE1 MET 8 -0.403 -1.965 -4.586 71 HE2 MET 8 HE2 MET 8 -1.170 -0.848 -5.754 72 HE3 MET 8 HE3 MET 8 -0.751 -0.279 -4.107 73 H PHE 9 H PHE 9 -4.309 1.946 0.021 74 HA PHE 9 HA PHE 9 -2.426 4.220 0.043 75 HB2 PHE 9 HB2 PHE 9 -4.816 4.444 0.741 76 HB3 PHE 9 HB3 PHE 9 -4.544 3.415 2.124 77 HD1 PHE 9 HD2 PHE 9 -3.732 6.754 0.614 78 HD2 PHE 9 HD1 PHE 9 -3.404 4.318 4.148 79 HE1 PHE 9 HE2 PHE 9 -3.018 8.717 1.916 80 HE2 PHE 9 HE1 PHE 9 -2.685 6.290 5.429 81 HZ PHE 9 HZ PHE 9 -2.491 8.490 4.320 82 H LYS 10 H LYS 10 -2.982 1.712 2.506 83 HA LYS 10 HA LYS 10 -0.417 2.216 3.848 84 HB2 LYS 10 HB2 LYS 10 -2.168 -0.373 4.061 85 HB3 LYS 10 HB3 LYS 10 -0.842 -0.074 5.132 86 HG2 LYS 10 HG3 LYS 10 -1.960 1.948 6.107 87 HG3 LYS 10 HG2 LYS 10 -3.297 1.789 4.964 88 HD2 LYS 10 HD3 LYS 10 -3.859 -0.474 5.916 89 HD3 LYS 10 HD2 LYS 10 -2.503 -0.345 7.044 90 HE2 LYS 10 HE3 LYS 10 -3.570 1.718 8.089 91 HE3 LYS 10 HE2 LYS 10 -4.930 1.583 6.964 92 HZ2 LYS 10 HZ2 LYS 10 -5.439 -0.579 7.893 93 HZ3 LYS 10 HZ3 LYS 10 -5.448 0.570 9.056 94 H THR 11 H THR 11 -1.107 -0.116 1.258 95 HA THR 11 HA THR 11 1.352 -1.613 1.486 96 HB THR 11 HB THR 11 -0.405 -1.172 -0.994 97 HG1 THR 11 HG1 THR 11 -0.320 -3.228 0.954 98 HG21 THR 11 HG21 THR 11 1.636 -3.421 -0.426 99 HG22 THR 11 HG22 THR 11 1.797 -2.161 -1.679 100 HG23 THR 11 HG23 THR 11 0.493 -3.364 -1.795 101 H ASN 12 H ASN 12 0.558 1.040 -0.756 102 HA ASN 12 HA ASN 12 3.254 1.452 -1.706 103 HB2 ASN 12 HB3 ASN 12 1.004 2.133 -2.849 104 HB3 ASN 12 HB2 ASN 12 0.924 3.496 -1.774 105 HD21 ASN 12 HD22 ASN 12 2.502 2.146 -4.573 106 HD22 ASN 12 HD21 ASN 12 3.420 3.667 -5.031 107 H GLU 13 H GLU 13 1.523 3.098 1.014 108 HA GLU 13 HA GLU 13 3.528 5.128 1.472 109 HB2 GLU 13 HB3 GLU 13 1.143 5.244 2.195 110 HB3 GLU 13 HB2 GLU 13 1.428 3.994 3.405 111 HG2 GLU 13 HG2 GLU 13 3.013 5.550 4.619 112 HG3 GLU 13 HG3 GLU 13 2.826 6.754 3.346 113 HE2 GLU 13 HE2 GLU 13 1.205 4.940 5.727 114 H ASN 14 H ASN 14 3.153 1.927 2.978 115 HA ASN 14 HA ASN 14 5.542 2.262 4.661 116 HB2 ASN 14 HB2 ASN 14 3.492 1.080 5.452 117 HB3 ASN 14 HB3 ASN 14 3.751 -0.200 4.289 118 HD21 ASN 14 HD22 ASN 14 5.168 -1.851 4.896 119 HD22 ASN 14 HD21 ASN 14 6.084 -1.861 6.485 120 H ASN 15 H ASN 15 4.787 -0.211 2.206 121 HA ASN 15 HA ASN 15 7.542 -1.100 1.961 122 HB2 ASN 15 HB2 ASN 15 5.152 -1.745 0.089 123 HB3 ASN 15 HB3 ASN 15 6.697 -2.518 -0.019 124 HD21 ASN 15 HD22 ASN 15 3.707 -2.549 1.642 125 HD22 ASN 15 HD21 ASN 15 4.116 -3.946 2.760 126 H ASP 16 H ASP 16 5.813 1.277 0.019 127 HA ASP 16 HA ASP 16 8.043 1.325 -1.979 128 HB2 ASP 16 HB3 ASP 16 5.741 0.622 -2.929 129 HB3 ASP 16 HB2 ASP 16 5.193 2.255 -2.619 130 HD2 ASP 16 HD2 ASP 16 5.867 3.794 -3.851 131 H LYS 17 H LYS 17 8.420 2.477 0.389 132 HA LYS 17 HA LYS 17 8.838 5.325 -0.358 133 HB2 LYS 17 HB2 LYS 17 6.818 5.184 1.087 134 HB3 LYS 17 HB3 LYS 17 7.703 4.326 2.335 135 HG2 LYS 17 HG2 LYS 17 8.373 7.207 1.426 136 HG3 LYS 17 HG3 LYS 17 7.217 6.810 2.693 137 HD2 LYS 17 HD3 LYS 17 9.076 5.517 3.916 138 HD3 LYS 17 HD2 LYS 17 10.217 6.155 2.733 139 HE2 LYS 17 HE3 LYS 17 9.619 8.533 3.398 140 HE3 LYS 17 HE2 LYS 17 8.472 7.910 4.595 141 HZ2 LYS 17 HZ2 LYS 17 11.397 7.412 4.574 142 HZ3 LYS 17 HZ3 LYS 17 10.609 8.449 5.561 143 H SER 18 H SER 18 9.603 3.135 2.327 144 HA SER 18 HA SER 18 12.486 3.923 2.326 145 HB2 SER 18 HB2 SER 18 11.241 3.070 4.522 146 HB3 SER 18 HB3 SER 18 11.288 1.466 3.801 147 HG SER 18 HG SER 18 13.028 1.895 5.165 148 H GLU 19 H GLU 19 10.854 0.950 1.194 149 HA GLU 19 HA GLU 19 13.402 0.097 -0.255 150 HB2 GLU 19 HB2 GLU 19 12.477 -1.425 1.627 151 HB3 GLU 19 HB3 GLU 19 11.036 -1.690 0.644 152 HG2 GLU 19 HG2 GLU 19 12.461 -2.703 -1.173 153 HG3 GLU 19 HG3 GLU 19 13.899 -2.435 -0.186 154 HE2 GLU 19 HE2 GLU 19 14.136 -3.545 1.606 155 H LEU 20 H LEU 20 11.114 -1.467 -1.434 156 HA LEU 20 HA LEU 20 9.740 0.451 -3.299 157 HB2 LEU 20 HB3 LEU 20 12.193 -0.114 -4.335 158 HB3 LEU 20 HB2 LEU 20 11.484 -1.651 -4.724 159 HG LEU 20 HG LEU 20 9.620 -0.352 -6.010 160 HD11 LEU 20 HD11 LEU 20 10.155 1.990 -6.734 161 HD12 LEU 20 HD12 LEU 20 11.584 2.023 -5.671 162 HD13 LEU 20 HD13 LEU 20 9.951 1.935 -4.977 163 HD21 LEU 20 HD21 LEU 20 11.521 -1.510 -7.175 164 HD22 LEU 20 HD22 LEU 20 12.531 -0.055 -7.011 165 HD23 LEU 20 HD23 LEU 20 11.064 -0.020 -8.020 166 H ILE 21 H ILE 21 10.422 -3.036 -3.619 167 HA ILE 21 HA ILE 21 7.439 -3.599 -3.086 168 HB ILE 21 HB ILE 21 9.244 -5.313 -4.894 169 HG12 ILE 21 HG12 ILE 21 7.250 -4.527 -6.616 170 HG13 ILE 21 HG11 ILE 21 7.242 -3.103 -5.600 171 HG21 ILE 21 HG21 ILE 21 7.151 -6.557 -5.435 172 HG22 ILE 21 HG22 ILE 21 6.229 -5.556 -4.285 173 HG23 ILE 21 HG23 ILE 21 7.506 -6.653 -3.707 174 HD11 ILE 21 HD11 ILE 21 9.656 -4.258 -7.170 175 HD12 ILE 21 HD12 ILE 21 8.719 -2.801 -7.580 176 HD13 ILE 21 HD13 ILE 21 9.754 -2.815 -6.136 Start of MODEL 4 1 H1 TYR 1 H TYR 1 -14.306 -4.898 3.714 2 HA TYR 1 HA TYR 1 -15.967 -3.851 1.477 3 HB2 TYR 1 HB2 TYR 1 -15.940 -1.367 2.334 4 HB3 TYR 1 HB3 TYR 1 -17.020 -2.464 3.178 5 HD1 TYR 1 HD3 TYR 1 -16.587 -3.048 5.583 6 HD2 TYR 1 HD2 TYR 1 -13.946 -0.402 3.452 7 HE1 TYR 1 HE3 TYR 1 -15.607 -2.301 7.709 8 HE2 TYR 1 HE2 TYR 1 -12.969 0.330 5.583 9 HH TYR 1 HH TYR 1 -12.997 0.126 7.795 10 H ASP 2 H ASP 2 -14.754 -3.107 -0.100 11 HA ASP 2 HA ASP 2 -11.981 -2.033 0.340 12 HB2 ASP 2 HB3 ASP 2 -11.702 -4.579 0.197 13 HB3 ASP 2 HB2 ASP 2 -12.345 -4.540 -1.432 14 HD2 ASP 2 HD2 ASP 2 -8.543 -3.566 -0.597 15 H ASN 3 H ASN 3 -11.915 -0.255 -0.892 16 HA ASN 3 HA ASN 3 -12.783 -0.210 -3.661 17 HB2 ASN 3 HB2 ASN 3 -14.487 1.540 -3.636 18 HB3 ASN 3 HB3 ASN 3 -15.011 0.067 -2.875 19 HD21 ASN 3 HD21 ASN 3 -14.723 3.458 -2.424 20 HD22 ASN 3 HD22 ASN 3 -15.317 3.467 -0.691 21 H ILE 4 H ILE 4 -10.892 0.418 -4.193 22 HA ILE 4 HA ILE 4 -9.035 1.526 -4.685 23 HB ILE 4 HB ILE 4 -10.848 2.952 -5.563 24 HG12 ILE 4 HG11 ILE 4 -8.629 2.905 -6.550 25 HG13 ILE 4 HG12 ILE 4 -9.406 4.457 -6.709 26 HG21 ILE 4 HG21 ILE 4 -10.915 5.372 -4.960 27 HG22 ILE 4 HG22 ILE 4 -11.544 4.344 -3.670 28 HG23 ILE 4 HG23 ILE 4 -9.916 5.053 -3.521 29 HD11 ILE 4 HD11 ILE 4 -7.029 4.811 -6.282 30 HD12 ILE 4 HD12 ILE 4 -7.054 3.822 -4.813 31 HD13 ILE 4 HD13 ILE 4 -7.904 5.390 -4.848 32 H LEU 5 H LEU 5 -10.099 3.043 -1.744 33 HA LEU 5 HA LEU 5 -7.329 3.753 -0.966 34 HB2 LEU 5 HB2 LEU 5 -9.343 5.313 -0.509 35 HB3 LEU 5 HB3 LEU 5 -9.947 4.147 0.638 36 HG LEU 5 HG LEU 5 -7.898 4.505 2.085 37 HD11 LEU 5 HD11 LEU 5 -7.168 6.744 0.077 38 HD12 LEU 5 HD12 LEU 5 -6.404 6.485 1.666 39 HD13 LEU 5 HD13 LEU 5 -6.220 5.269 0.393 40 HD21 LEU 5 HD21 LEU 5 -8.592 6.743 2.931 41 HD22 LEU 5 HD22 LEU 5 -10.010 5.763 2.512 42 HD23 LEU 5 HD23 LEU 5 -9.482 7.069 1.422 43 H VAL 6 H VAL 6 -9.634 1.300 0.136 44 HA VAL 6 HA VAL 6 -8.094 0.440 2.477 45 HB VAL 6 HB VAL 6 -10.000 -1.387 0.897 46 HG11 VAL 6 HG11 VAL 6 -8.610 -2.635 2.567 47 HG12 VAL 6 HG12 VAL 6 -10.306 -2.578 3.064 48 HG13 VAL 6 HG13 VAL 6 -9.115 -1.510 3.850 49 HG21 VAL 6 HG21 VAL 6 -11.257 0.633 1.448 50 HG22 VAL 6 HG22 VAL 6 -11.784 -0.710 2.468 51 HG23 VAL 6 HG23 VAL 6 -10.717 0.559 3.148 52 H LYS 7 H LYS 7 -8.050 -0.781 -0.844 53 HA LYS 7 HA LYS 7 -5.783 -2.643 -0.330 54 HB2 LYS 7 HB3 LYS 7 -5.706 -3.098 -2.760 55 HB3 LYS 7 HB2 LYS 7 -7.245 -3.414 -1.999 56 HG2 LYS 7 HG3 LYS 7 -8.242 -1.368 -2.952 57 HG3 LYS 7 HG2 LYS 7 -6.700 -0.867 -3.657 58 HD2 LYS 7 HD2 LYS 7 -6.661 -2.867 -5.128 59 HD3 LYS 7 HD3 LYS 7 -8.120 -3.516 -4.398 60 HE2 LYS 7 HE3 LYS 7 -8.015 -0.815 -5.920 61 HE3 LYS 7 HE2 LYS 7 -8.411 -2.359 -6.673 62 HZ2 LYS 7 HZ2 LYS 7 -10.286 -2.577 -5.149 63 HZ3 LYS 7 HZ3 LYS 7 -9.938 -1.146 -4.440 64 H MET 8 H MET 8 -5.887 0.615 -1.827 65 HA MET 8 HA MET 8 -3.036 0.563 -2.500 66 HB2 MET 8 HB2 MET 8 -4.822 2.956 -2.550 67 HB3 MET 8 HB3 MET 8 -3.192 2.880 -3.164 68 HG2 MET 8 HG2 MET 8 -5.700 1.657 -4.396 69 HG3 MET 8 HG3 MET 8 -4.410 2.634 -5.102 70 HE1 MET 8 HE1 MET 8 -4.214 -0.857 -7.027 71 HE2 MET 8 HE2 MET 8 -5.700 -0.143 -6.334 72 HE3 MET 8 HE3 MET 8 -4.528 0.895 -7.205 73 H PHE 9 H PHE 9 -4.573 1.358 0.521 74 HA PHE 9 HA PHE 9 -2.523 3.252 1.505 75 HB2 PHE 9 HB2 PHE 9 -4.825 3.215 2.422 76 HB3 PHE 9 HB3 PHE 9 -4.624 1.584 3.009 77 HD1 PHE 9 HD1 PHE 9 -3.490 5.139 3.473 78 HD2 PHE 9 HD2 PHE 9 -3.466 1.175 5.151 79 HE1 PHE 9 HE1 PHE 9 -2.637 6.033 5.602 80 HE2 PHE 9 HE2 PHE 9 -2.610 2.086 7.268 81 HZ PHE 9 HZ PHE 9 -2.193 4.513 7.500 82 H LYS 10 H LYS 10 -3.120 -0.162 2.260 83 HA LYS 10 HA LYS 10 -0.480 -0.504 3.548 84 HB2 LYS 10 HB2 LYS 10 -2.439 -2.743 2.751 85 HB3 LYS 10 HB3 LYS 10 -0.965 -3.084 3.579 86 HG2 LYS 10 HG3 LYS 10 -3.259 -1.330 4.660 87 HG3 LYS 10 HG2 LYS 10 -2.782 -2.954 5.116 88 HD2 LYS 10 HD2 LYS 10 -0.577 -2.077 6.035 89 HD3 LYS 10 HD3 LYS 10 -1.111 -0.448 5.649 90 HE2 LYS 10 HE3 LYS 10 -1.540 -0.714 7.976 91 HE3 LYS 10 HE2 LYS 10 -3.118 -0.722 7.193 92 HZ2 LYS 10 HZ2 LYS 10 -3.075 -3.168 7.337 93 HZ3 LYS 10 HZ3 LYS 10 -1.612 -3.136 8.066 94 H THR 11 H THR 11 -1.479 -1.152 0.193 95 HA THR 11 HA THR 11 0.867 -2.680 -0.548 96 HB THR 11 HB THR 11 -1.025 -1.052 -2.332 97 HG1 THR 11 HG1 THR 11 -1.917 -3.099 -2.662 98 HG21 THR 11 HG21 THR 11 0.933 -3.310 -3.121 99 HG22 THR 11 HG22 THR 11 1.061 -1.600 -3.615 100 HG23 THR 11 HG23 THR 11 -0.308 -2.584 -4.178 101 H ASN 12 H ASN 12 0.131 0.768 -1.083 102 HA ASN 12 HA ASN 12 2.760 1.506 -2.016 103 HB2 ASN 12 HB3 ASN 12 0.523 2.802 -2.355 104 HB3 ASN 12 HB2 ASN 12 0.658 3.382 -0.721 105 HD21 ASN 12 HD22 ASN 12 2.119 3.501 -3.939 106 HD22 ASN 12 HD21 ASN 12 3.036 5.064 -3.651 107 H GLU 13 H GLU 13 1.520 1.448 1.376 108 HA GLU 13 HA GLU 13 3.769 2.882 2.512 109 HB2 GLU 13 HB2 GLU 13 1.504 2.684 3.544 110 HB3 GLU 13 HB3 GLU 13 1.787 0.992 3.908 111 HG2 GLU 13 HG3 GLU 13 3.496 3.338 5.002 112 HG3 GLU 13 HG2 GLU 13 2.063 2.725 5.800 113 HE2 GLU 13 HE2 GLU 13 5.235 2.500 5.538 114 H ASN 14 H ASN 14 3.061 -0.613 2.507 115 HA ASN 14 HA ASN 14 5.636 -1.383 3.586 116 HB2 ASN 14 HB2 ASN 14 3.506 -2.700 3.844 117 HB3 ASN 14 HB3 ASN 14 3.577 -3.150 2.157 118 HD21 ASN 14 HD22 ASN 14 5.142 -3.560 5.300 119 HD22 ASN 14 HD21 ASN 14 6.016 -5.109 4.848 120 H ASN 15 H ASN 15 4.432 -1.970 0.281 121 HA ASN 15 HA ASN 15 7.063 -2.731 -0.714 122 HB2 ASN 15 HB2 ASN 15 4.490 -2.160 -2.343 123 HB3 ASN 15 HB3 ASN 15 5.930 -2.822 -3.039 124 HD21 ASN 15 HD21 ASN 15 6.621 -4.984 -2.360 125 HD22 ASN 15 HD22 ASN 15 5.352 -6.151 -1.732 126 H ASP 16 H ASP 16 5.424 0.402 -0.891 127 HA ASP 16 HA ASP 16 7.757 1.447 -2.485 128 HB2 ASP 16 HB2 ASP 16 4.832 2.323 -2.873 129 HB3 ASP 16 HB3 ASP 16 6.200 3.153 -3.581 130 HD2 ASP 16 HD2 ASP 16 7.549 2.034 -4.903 131 H LYS 17 H LYS 17 7.788 1.411 0.243 132 HA LYS 17 HA LYS 17 8.621 4.132 0.734 133 HB2 LYS 17 HB3 LYS 17 5.938 3.664 1.544 134 HB3 LYS 17 HB2 LYS 17 6.816 3.375 3.018 135 HG2 LYS 17 HG3 LYS 17 6.162 5.671 3.027 136 HG3 LYS 17 HG2 LYS 17 7.906 5.686 2.777 137 HD2 LYS 17 HD2 LYS 17 7.577 6.004 0.312 138 HD3 LYS 17 HD3 LYS 17 5.843 5.851 0.472 139 HE2 LYS 17 HE3 LYS 17 7.535 8.121 1.761 140 HE3 LYS 17 HE2 LYS 17 6.727 8.247 0.200 141 HZ2 LYS 17 HZ2 LYS 17 5.334 7.760 2.771 142 HZ3 LYS 17 HZ3 LYS 17 4.603 7.879 1.314 143 H SER 18 H SER 18 7.862 1.109 2.412 144 HA SER 18 HA SER 18 10.295 1.288 4.158 145 HB2 SER 18 HB3 SER 18 8.097 -0.018 4.911 146 HB3 SER 18 HB2 SER 18 8.552 -1.245 3.738 147 HG SER 18 HG SER 18 9.315 -1.659 5.814 148 H GLU 19 H GLU 19 9.494 -0.890 1.425 149 HA GLU 19 HA GLU 19 12.497 -1.263 0.966 150 HB2 GLU 19 HB2 GLU 19 11.366 -3.321 1.871 151 HB3 GLU 19 HB3 GLU 19 10.258 -3.357 0.499 152 HG2 GLU 19 HG3 GLU 19 12.152 -3.693 -1.080 153 HG3 GLU 19 HG2 GLU 19 13.314 -3.547 0.243 154 HE2 GLU 19 HE2 GLU 19 10.810 -5.356 -1.119 155 H LEU 20 H LEU 20 12.180 0.714 -0.180 156 HA LEU 20 HA LEU 20 10.772 0.629 -2.865 157 HB2 LEU 20 HB3 LEU 20 10.864 2.820 -1.341 158 HB3 LEU 20 HB2 LEU 20 12.538 2.936 -1.796 159 HG LEU 20 HG LEU 20 11.078 4.458 -2.995 160 HD11 LEU 20 HD21 LEU 20 12.248 2.523 -5.075 161 HD12 LEU 20 HD22 LEU 20 11.892 4.250 -5.279 162 HD13 LEU 20 HD23 LEU 20 13.173 3.743 -4.163 163 HD21 LEU 20 HD11 LEU 20 9.671 2.068 -4.332 164 HD22 LEU 20 HD12 LEU 20 8.975 3.182 -3.127 165 HD23 LEU 20 HD13 LEU 20 9.431 3.786 -4.725 166 H ILE 21 H ILE 21 14.151 1.416 -2.024 167 HA ILE 21 HA ILE 21 15.092 -0.516 -4.143 168 HB ILE 21 HB ILE 21 14.836 1.631 -5.366 169 HG12 ILE 21 HG12 ILE 21 17.120 1.734 -6.436 170 HG13 ILE 21 HG11 ILE 21 17.759 0.688 -5.179 171 HG21 ILE 21 HG21 ILE 21 15.429 3.291 -3.547 172 HG22 ILE 21 HG22 ILE 21 17.138 2.822 -3.696 173 HG23 ILE 21 HG23 ILE 21 16.295 3.578 -5.067 174 HD11 ILE 21 HD11 ILE 21 15.509 -0.086 -7.170 175 HD12 ILE 21 HD12 ILE 21 16.247 -1.184 -5.972 176 HD13 ILE 21 HD13 ILE 21 17.223 -0.543 -7.309 Start of MODEL 5 1 H1 TYR 1 H TYR 1 -13.928 -8.751 2.176 2 HA TYR 1 HA TYR 1 -15.523 -6.142 2.168 3 HB2 TYR 1 HB3 TYR 1 -13.473 -6.865 4.363 4 HB3 TYR 1 HB2 TYR 1 -14.079 -5.242 4.059 5 HD1 TYR 1 HD2 TYR 1 -16.579 -4.724 4.369 6 HD2 TYR 1 HD1 TYR 1 -14.842 -8.438 5.676 7 HE1 TYR 1 HE2 TYR 1 -18.511 -5.121 5.833 8 HE2 TYR 1 HE1 TYR 1 -16.780 -8.823 7.135 9 HH TYR 1 HH TYR 1 -19.466 -6.483 7.304 10 H ASP 2 H ASP 2 -14.734 -5.193 0.453 11 HA ASP 2 HA ASP 2 -11.754 -4.753 0.166 12 HB2 ASP 2 HB2 ASP 2 -12.370 -6.823 -1.216 13 HB3 ASP 2 HB3 ASP 2 -13.394 -5.815 -2.226 14 HD2 ASP 2 HD2 ASP 2 -10.775 -4.451 -4.022 15 H ASN 3 H ASN 3 -11.251 -2.782 -0.726 16 HA ASN 3 HA ASN 3 -13.174 -1.022 -1.981 17 HB2 ASN 3 HB2 ASN 3 -12.154 -0.207 0.829 18 HB3 ASN 3 HB3 ASN 3 -12.736 0.945 -0.347 19 HD21 ASN 3 HD22 ASN 3 -15.012 0.916 -0.912 20 HD22 ASN 3 HD21 ASN 3 -16.220 0.167 0.248 21 H ILE 4 H ILE 4 -11.817 -0.760 -3.577 22 HA ILE 4 HA ILE 4 -9.061 -1.015 -3.728 23 HB ILE 4 HB ILE 4 -10.601 -0.897 -5.650 24 HG12 ILE 4 HG12 ILE 4 -9.074 0.149 -7.337 25 HG13 ILE 4 HG11 ILE 4 -8.099 0.843 -6.056 26 HG21 ILE 4 HG21 ILE 4 -11.183 1.212 -6.776 27 HG22 ILE 4 HG22 ILE 4 -10.361 2.168 -5.513 28 HG23 ILE 4 HG23 ILE 4 -11.820 1.227 -5.118 29 HD11 ILE 4 HD11 ILE 4 -7.098 -1.256 -7.003 30 HD12 ILE 4 HD12 ILE 4 -8.537 -2.191 -6.530 31 HD13 ILE 4 HD13 ILE 4 -7.468 -1.494 -5.283 32 H LEU 5 H LEU 5 -10.459 1.928 -2.475 33 HA LEU 5 HA LEU 5 -7.933 3.453 -2.702 34 HB2 LEU 5 HB3 LEU 5 -10.297 4.524 -2.891 35 HB3 LEU 5 HB2 LEU 5 -10.529 4.251 -1.194 36 HG LEU 5 HG LEU 5 -10.012 6.569 -1.828 37 HD11 LEU 5 HD11 LEU 5 -9.456 5.812 0.506 38 HD12 LEU 5 HD12 LEU 5 -7.761 5.575 0.012 39 HD13 LEU 5 HD13 LEU 5 -8.487 7.192 -0.046 40 HD21 LEU 5 HD21 LEU 5 -7.802 7.368 -2.565 41 HD22 LEU 5 HD22 LEU 5 -8.435 6.192 -3.734 42 HD23 LEU 5 HD23 LEU 5 -7.155 5.711 -2.592 43 H VAL 6 H VAL 6 -9.806 2.034 -0.039 44 HA VAL 6 HA VAL 6 -7.916 2.597 2.101 45 HB VAL 6 HB VAL 6 -9.803 0.152 2.055 46 HG11 VAL 6 HG21 VAL 6 -8.617 1.712 4.442 47 HG12 VAL 6 HG22 VAL 6 -9.779 0.363 4.543 48 HG13 VAL 6 HG23 VAL 6 -8.145 0.074 3.932 49 HG21 VAL 6 HG11 VAL 6 -11.180 2.129 1.583 50 HG22 VAL 6 HG12 VAL 6 -11.488 1.536 3.220 51 HG23 VAL 6 HG13 VAL 6 -10.479 2.998 2.973 52 H LYS 7 H LYS 7 -8.131 -0.187 -0.056 53 HA LYS 7 HA LYS 7 -5.817 -1.674 1.057 54 HB2 LYS 7 HB3 LYS 7 -7.008 -1.979 -1.772 55 HB3 LYS 7 HB2 LYS 7 -5.930 -3.107 -0.982 56 HG2 LYS 7 HG2 LYS 7 -8.871 -2.559 -0.240 57 HG3 LYS 7 HG3 LYS 7 -8.215 -3.960 -1.043 58 HD2 LYS 7 HD2 LYS 7 -6.969 -4.668 0.965 59 HD3 LYS 7 HD3 LYS 7 -7.405 -3.213 1.844 60 HE2 LYS 7 HE3 LYS 7 -9.484 -5.273 0.828 61 HE3 LYS 7 HE2 LYS 7 -8.747 -5.319 2.428 62 HZ2 LYS 7 HZ2 LYS 7 -9.642 -3.109 2.869 63 HZ3 LYS 7 HZ3 LYS 7 -10.337 -3.042 1.391 64 H MET 8 H MET 8 -6.044 0.542 -1.765 65 HA MET 8 HA MET 8 -3.190 0.273 -2.405 66 HB2 MET 8 HB2 MET 8 -5.108 2.316 -3.447 67 HB3 MET 8 HB3 MET 8 -3.463 2.116 -3.992 68 HG2 MET 8 HG2 MET 8 -5.843 0.295 -4.559 69 HG3 MET 8 HG3 MET 8 -4.629 0.980 -5.631 70 HE1 MET 8 HE1 MET 8 -1.744 0.285 -4.683 71 HE2 MET 8 HE2 MET 8 -2.367 -0.116 -6.315 72 HE3 MET 8 HE3 MET 8 -1.534 -1.364 -5.341 73 H PHE 9 H PHE 9 -4.723 2.246 0.009 74 HA PHE 9 HA PHE 9 -2.734 4.431 0.024 75 HB2 PHE 9 HB3 PHE 9 -5.025 4.712 0.972 76 HB3 PHE 9 HB2 PHE 9 -4.696 3.534 2.217 77 HD1 PHE 9 HD1 PHE 9 -3.753 6.949 0.946 78 HD2 PHE 9 HD2 PHE 9 -3.389 4.180 4.222 79 HE1 PHE 9 HE1 PHE 9 -2.798 8.725 2.358 80 HE2 PHE 9 HE2 PHE 9 -2.433 5.968 5.614 81 HZ PHE 9 HZ PHE 9 -2.135 8.239 4.689 82 H LYS 10 H LYS 10 -3.181 1.711 2.274 83 HA LYS 10 HA LYS 10 -0.486 1.990 3.418 84 HB2 LYS 10 HB2 LYS 10 -2.323 -0.546 3.537 85 HB3 LYS 10 HB3 LYS 10 -0.896 -0.402 4.506 86 HG2 LYS 10 HG2 LYS 10 -1.837 1.545 5.774 87 HG3 LYS 10 HG3 LYS 10 -3.274 1.551 4.747 88 HD2 LYS 10 HD2 LYS 10 -3.842 -0.784 5.513 89 HD3 LYS 10 HD3 LYS 10 -2.396 -0.808 6.530 90 HE2 LYS 10 HE3 LYS 10 -3.298 1.169 7.858 91 HE3 LYS 10 HE2 LYS 10 -4.746 1.190 6.840 92 HZ2 LYS 10 HZ2 LYS 10 -3.871 -1.059 8.566 93 HZ3 LYS 10 HZ3 LYS 10 -5.084 -0.013 8.895 94 H THR 11 H THR 11 -1.511 -0.044 0.691 95 HA THR 11 HA THR 11 0.894 -1.636 0.536 96 HB THR 11 HB THR 11 -1.081 -0.889 -1.694 97 HG1 THR 11 HG1 THR 11 -0.859 -3.148 0.002 98 HG21 THR 11 HG21 THR 11 0.998 -1.844 -2.720 99 HG22 THR 11 HG22 THR 11 0.932 -3.230 -1.598 100 HG23 THR 11 HG23 THR 11 -0.350 -2.998 -2.817 101 H ASN 12 H ASN 12 0.004 1.230 -1.380 102 HA ASN 12 HA ASN 12 2.616 1.674 -2.518 103 HB2 ASN 12 HB2 ASN 12 0.326 2.505 -3.404 104 HB3 ASN 12 HB3 ASN 12 0.313 3.735 -2.175 105 HD21 ASN 12 HD21 ASN 12 1.538 5.624 -2.598 106 HD22 ASN 12 HD22 ASN 12 2.478 5.863 -4.154 107 H GLU 13 H GLU 13 1.215 3.100 0.503 108 HA GLU 13 HA GLU 13 3.335 5.032 0.906 109 HB2 GLU 13 HB3 GLU 13 1.042 5.214 1.855 110 HB3 GLU 13 HB2 GLU 13 1.359 3.863 2.940 111 HG2 GLU 13 HG2 GLU 13 3.142 5.219 4.103 112 HG3 GLU 13 HG3 GLU 13 2.928 6.533 2.949 113 HE2 GLU 13 HE2 GLU 13 1.257 7.754 3.062 114 H ASN 14 H ASN 14 2.794 1.886 2.486 115 HA ASN 14 HA ASN 14 5.231 1.812 3.995 116 HB2 ASN 14 HB2 ASN 14 3.164 0.380 4.365 117 HB3 ASN 14 HB3 ASN 14 3.638 -0.630 3.018 118 HD21 ASN 14 HD21 ASN 14 5.202 -2.242 3.459 119 HD22 ASN 14 HD22 ASN 14 5.936 -2.478 5.122 120 H ASN 15 H ASN 15 4.699 0.543 0.727 121 HA ASN 15 HA ASN 15 7.391 -0.545 0.442 122 HB2 ASN 15 HB2 ASN 15 5.196 -1.298 -0.758 123 HB3 ASN 15 HB3 ASN 15 5.310 0.112 -1.775 124 HD21 ASN 15 HD22 ASN 15 5.416 -2.852 -2.268 125 HD22 ASN 15 HD21 ASN 15 6.886 -3.054 -3.348 126 H ASP 16 H ASP 16 6.074 2.618 -0.484 127 HA ASP 16 HA ASP 16 8.655 3.301 -1.839 128 HB2 ASP 16 HB3 ASP 16 6.481 3.438 -3.233 129 HB3 ASP 16 HB2 ASP 16 5.992 4.783 -2.220 130 HD2 ASP 16 HD2 ASP 16 8.966 5.103 -4.982 131 H LYS 17 H LYS 17 8.409 3.337 1.010 132 HA LYS 17 HA LYS 17 9.409 6.084 1.476 133 HB2 LYS 17 HB2 LYS 17 8.510 5.910 3.651 134 HB3 LYS 17 HB3 LYS 17 7.223 5.234 2.686 135 HG2 LYS 17 HG3 LYS 17 8.084 2.898 3.333 136 HG3 LYS 17 HG2 LYS 17 9.205 3.676 4.449 137 HD2 LYS 17 HD3 LYS 17 7.244 4.805 5.609 138 HD3 LYS 17 HD2 LYS 17 6.140 3.951 4.528 139 HE2 LYS 17 HE3 LYS 17 7.072 1.715 5.406 140 HE3 LYS 17 HE2 LYS 17 8.098 2.617 6.529 141 HZ2 LYS 17 HZ2 LYS 17 5.133 2.760 6.442 142 HZ3 LYS 17 HZ3 LYS 17 6.081 3.588 7.485 143 H SER 18 H SER 18 10.284 2.715 2.093 144 HA SER 18 HA SER 18 13.138 3.659 2.739 145 HB2 SER 18 HB2 SER 18 11.832 2.630 4.819 146 HB3 SER 18 HB3 SER 18 11.785 1.129 3.916 147 HG SER 18 HG SER 18 14.121 2.603 4.567 148 H GLU 19 H GLU 19 12.130 0.297 2.068 149 HA GLU 19 HA GLU 19 12.908 0.325 -0.716 150 HB2 GLU 19 HB2 GLU 19 15.199 0.626 0.300 151 HB3 GLU 19 HB3 GLU 19 14.999 -0.805 1.298 152 HG2 GLU 19 HG3 GLU 19 14.850 -2.251 -0.715 153 HG3 GLU 19 HG2 GLU 19 14.901 -0.836 -1.773 154 HE2 GLU 19 HE2 GLU 19 18.244 -2.329 -0.022 155 H LEU 20 H LEU 20 11.189 -0.963 -1.093 156 HA LEU 20 HA LEU 20 11.201 -3.823 0.034 157 HB2 LEU 20 HB2 LEU 20 9.512 -2.086 1.253 158 HB3 LEU 20 HB3 LEU 20 8.644 -2.150 -0.253 159 HG LEU 20 HG LEU 20 8.413 -4.705 0.049 160 HD11 LEU 20 HD21 LEU 20 10.291 -5.123 1.664 161 HD12 LEU 20 HD22 LEU 20 8.746 -5.635 2.361 162 HD13 LEU 20 HD23 LEU 20 9.494 -4.107 2.889 163 HD21 LEU 20 HD11 LEU 20 6.570 -4.483 1.733 164 HD22 LEU 20 HD12 LEU 20 6.550 -3.137 0.579 165 HD23 LEU 20 HD13 LEU 20 7.187 -2.884 2.222 166 H ILE 21 H ILE 21 12.303 -3.337 -2.425 167 HA ILE 21 HA ILE 21 10.275 -4.689 -4.283 168 HB ILE 21 HB ILE 21 12.379 -2.646 -5.224 169 HG12 ILE 21 HG12 ILE 21 10.072 -1.516 -6.139 170 HG13 ILE 21 HG11 ILE 21 9.360 -2.321 -4.761 171 HG21 ILE 21 HG21 ILE 21 11.349 -2.940 -7.479 172 HG22 ILE 21 HG22 ILE 21 10.246 -4.185 -6.839 173 HG23 ILE 21 HG23 ILE 21 12.001 -4.470 -6.886 174 HD11 ILE 21 HD11 ILE 21 10.952 -0.998 -3.242 175 HD12 ILE 21 HD12 ILE 21 9.998 0.062 -4.296 176 HD13 ILE 21 HD13 ILE 21 11.698 -0.278 -4.690 Start of MODEL 6 1 H1 TYR 1 H TYR 1 -20.621 -5.260 1.791 2 HA TYR 1 HA TYR 1 -19.657 -3.397 -0.461 3 HB2 TYR 1 HB3 TYR 1 -20.127 -2.591 2.479 4 HB3 TYR 1 HB2 TYR 1 -19.202 -1.647 1.320 5 HD1 TYR 1 HD2 TYR 1 -20.338 -0.616 -0.714 6 HD2 TYR 1 HD3 TYR 1 -22.607 -2.534 2.400 7 HE1 TYR 1 HE2 TYR 1 -22.383 0.489 -1.512 8 HE2 TYR 1 HE3 TYR 1 -24.642 -1.424 1.591 9 HH TYR 1 HH TYR 1 -25.524 -0.045 0.090 10 H ASP 2 H ASP 2 -17.768 -4.233 -0.934 11 HA ASP 2 HA ASP 2 -15.642 -4.537 1.207 12 HB2 ASP 2 HB3 ASP 2 -16.730 -6.823 0.949 13 HB3 ASP 2 HB2 ASP 2 -16.273 -6.857 -0.743 14 HD2 ASP 2 HD2 ASP 2 -12.978 -7.706 -0.150 15 H ASN 3 H ASN 3 -14.078 -3.257 0.481 16 HA ASN 3 HA ASN 3 -13.014 -3.396 -2.232 17 HB2 ASN 3 HB3 ASN 3 -14.287 -0.715 -1.365 18 HB3 ASN 3 HB2 ASN 3 -13.044 -0.811 -2.584 19 HD21 ASN 3 HD22 ASN 3 -13.528 -1.900 -4.608 20 HD22 ASN 3 HD21 ASN 3 -15.276 -2.047 -5.146 21 H ILE 4 H ILE 4 -11.143 -3.987 -1.315 22 HA ILE 4 HA ILE 4 -9.925 -2.595 0.931 23 HB ILE 4 HB ILE 4 -9.860 -5.072 0.444 24 HG12 ILE 4 HG11 ILE 4 -7.580 -5.516 1.334 25 HG13 ILE 4 HG12 ILE 4 -7.144 -3.830 1.158 26 HG21 ILE 4 HG21 ILE 4 -8.103 -6.026 -0.984 27 HG22 ILE 4 HG22 ILE 4 -9.157 -4.980 -1.960 28 HG23 ILE 4 HG23 ILE 4 -7.546 -4.403 -1.472 29 HD11 ILE 4 HD11 ILE 4 -7.807 -4.418 3.504 30 HD12 ILE 4 HD12 ILE 4 -8.927 -3.203 2.857 31 HD13 ILE 4 HD13 ILE 4 -9.426 -4.914 2.956 32 H LEU 5 H LEU 5 -10.152 -1.034 -1.723 33 HA LEU 5 HA LEU 5 -7.484 -0.332 -2.524 34 HB2 LEU 5 HB2 LEU 5 -10.152 1.210 -2.866 35 HB3 LEU 5 HB3 LEU 5 -8.646 1.846 -3.456 36 HG LEU 5 HG LEU 5 -8.304 -0.277 -4.855 37 HD11 LEU 5 HD11 LEU 5 -11.297 -0.750 -4.216 38 HD12 LEU 5 HD12 LEU 5 -10.393 -1.544 -5.527 39 HD13 LEU 5 HD13 LEU 5 -9.952 -1.860 -3.848 40 HD21 LEU 5 HD21 LEU 5 -9.774 0.577 -6.686 41 HD22 LEU 5 HD22 LEU 5 -10.710 1.542 -5.517 42 HD23 LEU 5 HD23 LEU 5 -8.997 1.916 -5.826 43 H VAL 6 H VAL 6 -9.432 1.226 -0.003 44 HA VAL 6 HA VAL 6 -7.655 3.502 0.442 45 HB VAL 6 HB VAL 6 -9.452 2.271 2.623 46 HG11 VAL 6 HG21 VAL 6 -9.498 4.585 3.563 47 HG12 VAL 6 HG22 VAL 6 -8.389 5.154 2.288 48 HG13 VAL 6 HG23 VAL 6 -7.836 3.981 3.507 49 HG21 VAL 6 HG11 VAL 6 -10.246 4.338 0.506 50 HG22 VAL 6 HG12 VAL 6 -10.885 2.682 0.683 51 HG23 VAL 6 HG13 VAL 6 -11.209 3.877 1.947 52 H LYS 7 H LYS 7 -7.706 0.311 1.976 53 HA LYS 7 HA LYS 7 -5.307 0.768 3.671 54 HB2 LYS 7 HB2 LYS 7 -6.459 -1.963 2.827 55 HB3 LYS 7 HB3 LYS 7 -5.303 -1.686 4.108 56 HG2 LYS 7 HG3 LYS 7 -8.282 -0.893 4.123 57 HG3 LYS 7 HG2 LYS 7 -7.492 -2.169 5.024 58 HD2 LYS 7 HD3 LYS 7 -6.129 -0.464 6.311 59 HD3 LYS 7 HD2 LYS 7 -6.949 0.837 5.439 60 HE2 LYS 7 HE2 LYS 7 -9.185 0.056 6.365 61 HE3 LYS 7 HE3 LYS 7 -8.366 -1.245 7.243 62 HZ2 LYS 7 HZ2 LYS 7 -7.121 0.411 8.468 63 HZ3 LYS 7 HZ3 LYS 7 -8.729 0.638 8.653 64 H MET 8 H MET 8 -5.666 -0.826 0.483 65 HA MET 8 HA MET 8 -2.845 -1.546 0.265 66 HB2 MET 8 HB3 MET 8 -4.855 -1.419 -1.948 67 HB3 MET 8 HB2 MET 8 -3.232 -2.046 -2.093 68 HG2 MET 8 HG3 MET 8 -5.610 -3.348 -0.691 69 HG3 MET 8 HG2 MET 8 -4.446 -3.977 -1.856 70 HE1 MET 8 HE1 MET 8 -3.647 -6.297 1.191 71 HE2 MET 8 HE2 MET 8 -3.988 -6.230 -0.563 72 HE3 MET 8 HE3 MET 8 -5.242 -5.730 0.614 73 H PHE 9 H PHE 9 -4.324 1.556 -0.257 74 HA PHE 9 HA PHE 9 -2.397 2.565 -2.270 75 HB2 PHE 9 HB2 PHE 9 -4.699 3.513 -1.973 76 HB3 PHE 9 HB3 PHE 9 -4.291 4.085 -0.378 77 HD1 PHE 9 HD2 PHE 9 -3.554 4.513 -4.040 78 HD2 PHE 9 HD1 PHE 9 -3.021 6.190 -0.111 79 HE1 PHE 9 HE2 PHE 9 -2.745 6.614 -5.034 80 HE2 PHE 9 HE1 PHE 9 -2.215 8.282 -1.125 81 HZ PHE 9 HZ PHE 9 -2.074 8.499 -3.583 82 H LYS 10 H LYS 10 -2.740 3.211 1.204 83 HA LYS 10 HA LYS 10 -0.031 4.371 1.432 84 HB2 LYS 10 HB2 LYS 10 -1.841 3.331 3.768 85 HB3 LYS 10 HB3 LYS 10 -0.403 4.247 4.059 86 HG2 LYS 10 HG2 LYS 10 -1.344 6.273 2.932 87 HG3 LYS 10 HG3 LYS 10 -2.794 5.379 2.468 88 HD2 LYS 10 HD2 LYS 10 -3.336 4.972 4.889 89 HD3 LYS 10 HD3 LYS 10 -1.901 5.854 5.389 90 HE2 LYS 10 HE3 LYS 10 -4.243 7.080 3.765 91 HE3 LYS 10 HE2 LYS 10 -4.094 7.156 5.518 92 HZ2 LYS 10 HZ2 LYS 10 -2.005 8.359 5.250 93 HZ3 LYS 10 HZ3 LYS 10 -2.125 8.299 3.621 94 H THR 11 H THR 11 -1.103 1.023 1.984 95 HA THR 11 HA THR 11 1.315 0.127 3.295 96 HB THR 11 HB THR 11 -0.711 -1.511 1.671 97 HG1 THR 11 HG1 THR 11 -0.445 -0.989 4.444 98 HG21 THR 11 HG21 THR 11 0.034 -3.456 3.058 99 HG22 THR 11 HG22 THR 11 1.329 -2.468 3.787 100 HG23 THR 11 HG23 THR 11 1.371 -2.863 2.047 101 H ASN 12 H ASN 12 0.335 -0.195 -0.115 102 HA ASN 12 HA ASN 12 2.849 -1.156 -1.127 103 HB2 ASN 12 HB3 ASN 12 0.520 -1.282 -2.269 104 HB3 ASN 12 HB2 ASN 12 0.660 0.401 -2.683 105 HD21 ASN 12 HD21 ASN 12 1.965 -2.821 -3.297 106 HD22 ASN 12 HD22 ASN 12 2.754 -2.383 -4.894 107 H GLU 13 H GLU 13 1.733 2.282 -0.828 108 HA GLU 13 HA GLU 13 3.961 3.429 -2.273 109 HB2 GLU 13 HB3 GLU 13 1.774 4.582 -1.943 110 HB3 GLU 13 HB2 GLU 13 2.084 4.721 -0.223 111 HG2 GLU 13 HG2 GLU 13 2.501 6.866 -1.282 112 HG3 GLU 13 HG3 GLU 13 4.025 6.258 -0.672 113 HE2 GLU 13 HE2 GLU 13 2.072 6.708 -3.399 114 H ASN 14 H ASN 14 3.407 3.214 1.238 115 HA ASN 14 HA ASN 14 5.940 4.241 2.094 116 HB2 ASN 14 HB3 ASN 14 3.872 4.000 3.521 117 HB3 ASN 14 HB2 ASN 14 4.132 2.274 3.622 118 HD21 ASN 14 HD22 ASN 14 5.537 1.568 5.239 119 HD22 ASN 14 HD21 ASN 14 6.474 2.702 6.336 120 H ASN 15 H ASN 15 5.079 0.804 1.714 121 HA ASN 15 HA ASN 15 7.682 -0.246 2.440 122 HB2 ASN 15 HB3 ASN 15 5.356 -1.547 0.875 123 HB3 ASN 15 HB2 ASN 15 6.828 -2.418 1.175 124 HD21 ASN 15 HD22 ASN 15 7.405 -2.978 3.359 125 HD22 ASN 15 HD21 ASN 15 6.108 -3.028 4.656 126 H ASP 16 H ASP 16 6.549 0.883 -0.697 127 HA ASP 16 HA ASP 16 9.060 -0.100 -2.019 128 HB2 ASP 16 HB3 ASP 16 6.824 -1.003 -2.964 129 HB3 ASP 16 HB2 ASP 16 6.448 0.634 -3.467 130 HD2 ASP 16 HD2 ASP 16 9.190 -1.663 -5.376 131 H LYS 17 H LYS 17 9.137 2.084 -0.341 132 HA LYS 17 HA LYS 17 10.276 4.119 -2.160 133 HB2 LYS 17 HB3 LYS 17 7.974 4.887 -1.690 134 HB3 LYS 17 HB2 LYS 17 8.195 4.725 0.040 135 HG2 LYS 17 HG3 LYS 17 9.815 6.700 -1.710 136 HG3 LYS 17 HG2 LYS 17 8.244 7.071 -1.012 137 HD2 LYS 17 HD3 LYS 17 9.228 6.485 1.324 138 HD3 LYS 17 HD2 LYS 17 10.794 6.387 0.548 139 HE2 LYS 17 HE2 LYS 17 10.709 8.576 1.508 140 HE3 LYS 17 HE3 LYS 17 10.580 8.813 -0.234 141 HZ2 LYS 17 HZ2 LYS 17 8.159 9.024 0.064 142 HZ3 LYS 17 HZ3 LYS 17 8.299 8.799 1.677 143 H SER 18 H SER 18 9.737 3.462 1.289 144 HA SER 18 HA SER 18 12.525 4.243 2.041 145 HB2 SER 18 HB3 SER 18 10.489 4.424 3.749 146 HB3 SER 18 HB2 SER 18 10.543 2.670 3.841 147 HG SER 18 HG SER 18 12.728 2.850 4.491 148 H GLU 19 H GLU 19 10.931 1.042 1.945 149 HA GLU 19 HA GLU 19 13.688 -0.287 1.914 150 HB2 GLU 19 HB3 GLU 19 12.029 -0.937 3.751 151 HB3 GLU 19 HB2 GLU 19 10.961 -1.602 2.518 152 HG2 GLU 19 HG2 GLU 19 12.137 -3.402 3.437 153 HG3 GLU 19 HG3 GLU 19 12.737 -3.189 1.796 154 HE2 GLU 19 HE2 GLU 19 13.343 -2.678 5.097 155 H LEU 20 H LEU 20 13.692 0.689 -0.227 156 HA LEU 20 HA LEU 20 12.157 -0.743 -2.417 157 HB2 LEU 20 HB3 LEU 20 12.679 1.878 -2.503 158 HB3 LEU 20 HB2 LEU 20 14.336 1.416 -2.802 159 HG LEU 20 HG LEU 20 13.581 0.157 -4.897 160 HD11 LEU 20 HD21 LEU 20 10.871 1.561 -4.376 161 HD12 LEU 20 HD22 LEU 20 11.333 0.716 -5.874 162 HD13 LEU 20 HD23 LEU 20 11.154 -0.197 -4.369 163 HD21 LEU 20 HD11 LEU 20 13.335 2.234 -6.259 164 HD22 LEU 20 HD12 LEU 20 14.574 2.445 -5.008 165 HD23 LEU 20 HD13 LEU 20 12.967 3.182 -4.796 166 H ILE 21 H ILE 21 15.632 -0.156 -2.054 167 HA ILE 21 HA ILE 21 16.217 -2.675 -3.578 168 HB ILE 21 HB ILE 21 17.617 -0.627 -3.950 169 HG12 ILE 21 HG12 ILE 21 19.809 -1.870 -4.233 170 HG13 ILE 21 HG11 ILE 21 19.135 -3.237 -3.364 171 HG21 ILE 21 HG21 ILE 21 18.179 0.034 -1.555 172 HG22 ILE 21 HG22 ILE 21 19.605 -0.123 -2.596 173 HG23 ILE 21 HG23 ILE 21 19.230 -1.399 -1.431 174 HD11 ILE 21 HD11 ILE 21 17.434 -3.566 -5.211 175 HD12 ILE 21 HD12 ILE 21 18.022 -2.088 -6.022 176 HD13 ILE 21 HD13 ILE 21 19.081 -3.510 -5.869 Start of MODEL 7 1 H1 TYR 1 H TYR 1 -12.147 -6.273 3.921 2 HA TYR 1 HA TYR 1 -14.802 -5.283 2.725 3 HB2 TYR 1 HB2 TYR 1 -12.749 -3.552 4.245 4 HB3 TYR 1 HB3 TYR 1 -14.035 -2.914 3.230 5 HD1 TYR 1 HD2 TYR 1 -16.479 -3.252 3.869 6 HD2 TYR 1 HD3 TYR 1 -13.281 -4.352 6.531 7 HE1 TYR 1 HE2 TYR 1 -18.057 -3.316 5.751 8 HE2 TYR 1 HE3 TYR 1 -14.870 -4.412 8.403 9 HH TYR 1 HH TYR 1 -16.978 -4.146 9.047 10 H ASP 2 H ASP 2 -14.543 -5.305 0.656 11 HA ASP 2 HA ASP 2 -11.815 -5.102 -0.665 12 HB2 ASP 2 HB3 ASP 2 -13.481 -6.895 -1.378 13 HB3 ASP 2 HB2 ASP 2 -14.503 -5.646 -2.076 14 HD2 ASP 2 HD2 ASP 2 -11.046 -6.821 -3.819 15 H ASN 3 H ASN 3 -11.068 -3.113 -1.224 16 HA ASN 3 HA ASN 3 -12.702 -1.045 -2.411 17 HB2 ASN 3 HB3 ASN 3 -11.446 -0.405 0.349 18 HB3 ASN 3 HB2 ASN 3 -11.926 0.814 -0.808 19 HD21 ASN 3 HD22 ASN 3 -14.205 1.131 -1.213 20 HD22 ASN 3 HD21 ASN 3 -15.437 0.557 0.020 21 H ILE 4 H ILE 4 -11.350 -1.075 -4.070 22 HA ILE 4 HA ILE 4 -8.560 -1.589 -4.106 23 HB ILE 4 HB ILE 4 -10.102 -1.759 -5.999 24 HG12 ILE 4 HG11 ILE 4 -7.610 -1.930 -6.274 25 HG13 ILE 4 HG12 ILE 4 -8.585 -1.668 -7.694 26 HG21 ILE 4 HG21 ILE 4 -11.285 0.407 -5.919 27 HG22 ILE 4 HG22 ILE 4 -10.582 0.121 -7.528 28 HG23 ILE 4 HG23 ILE 4 -9.806 1.271 -6.404 29 HD11 ILE 4 HD11 ILE 4 -7.857 0.725 -7.848 30 HD12 ILE 4 HD12 ILE 4 -6.860 0.535 -6.387 31 HD13 ILE 4 HD13 ILE 4 -6.480 -0.395 -7.846 32 H LEU 5 H LEU 5 -9.997 1.451 -3.308 33 HA LEU 5 HA LEU 5 -7.504 3.007 -3.717 34 HB2 LEU 5 HB3 LEU 5 -9.865 3.986 -4.199 35 HB3 LEU 5 HB2 LEU 5 -10.184 3.991 -2.494 36 HG LEU 5 HG LEU 5 -9.661 6.183 -3.483 37 HD11 LEU 5 HD11 LEU 5 -7.515 5.559 -1.375 38 HD12 LEU 5 HD12 LEU 5 -9.239 5.840 -1.028 39 HD13 LEU 5 HD13 LEU 5 -8.253 7.128 -1.748 40 HD21 LEU 5 HD21 LEU 5 -7.420 6.896 -4.217 41 HD22 LEU 5 HD22 LEU 5 -6.754 5.271 -3.926 42 HD23 LEU 5 HD23 LEU 5 -7.968 5.526 -5.205 43 H VAL 6 H VAL 6 -9.481 2.053 -0.914 44 HA VAL 6 HA VAL 6 -7.653 3.022 1.136 45 HB VAL 6 HB VAL 6 -9.511 0.586 1.495 46 HG11 VAL 6 HG21 VAL 6 -9.536 1.236 3.910 47 HG12 VAL 6 HG22 VAL 6 -7.890 0.855 3.390 48 HG13 VAL 6 HG23 VAL 6 -8.378 2.554 3.591 49 HG21 VAL 6 HG11 VAL 6 -10.881 2.451 0.656 50 HG22 VAL 6 HG12 VAL 6 -10.217 3.543 1.897 51 HG23 VAL 6 HG13 VAL 6 -11.229 2.136 2.360 52 H LYS 7 H LYS 7 -7.778 -0.098 -0.490 53 HA LYS 7 HA LYS 7 -5.541 -1.360 0.919 54 HB2 LYS 7 HB3 LYS 7 -7.266 -2.700 -0.248 55 HB3 LYS 7 HB2 LYS 7 -6.831 -2.017 -1.800 56 HG2 LYS 7 HG2 LYS 7 -6.044 -4.309 -1.607 57 HG3 LYS 7 HG3 LYS 7 -4.680 -3.237 -1.840 58 HD2 LYS 7 HD3 LYS 7 -4.213 -3.338 0.671 59 HD3 LYS 7 HD2 LYS 7 -5.562 -4.442 0.883 60 HE2 LYS 7 HE2 LYS 7 -3.070 -5.007 -0.880 61 HE3 LYS 7 HE3 LYS 7 -3.248 -5.522 0.794 62 HZ2 LYS 7 HZ2 LYS 7 -3.816 -7.268 -0.748 63 HZ3 LYS 7 HZ3 LYS 7 -4.991 -6.371 -1.447 64 H MET 8 H MET 8 -5.594 0.309 -2.280 65 HA MET 8 HA MET 8 -2.694 0.020 -2.652 66 HB2 MET 8 HB2 MET 8 -4.514 1.794 -4.236 67 HB3 MET 8 HB3 MET 8 -2.834 1.488 -4.585 68 HG2 MET 8 HG3 MET 8 -5.198 -0.408 -4.954 69 HG3 MET 8 HG2 MET 8 -3.899 0.047 -6.052 70 HE1 MET 8 HE1 MET 8 -0.882 -2.206 -5.089 71 HE2 MET 8 HE2 MET 8 -1.637 -1.195 -6.357 72 HE3 MET 8 HE3 MET 8 -1.105 -0.454 -4.815 73 H PHE 9 H PHE 9 -4.472 2.419 -0.848 74 HA PHE 9 HA PHE 9 -2.340 4.509 -1.019 75 HB2 PHE 9 HB2 PHE 9 -4.752 5.125 -0.682 76 HB3 PHE 9 HB3 PHE 9 -4.780 4.290 0.849 77 HD1 PHE 9 HD2 PHE 9 -3.362 7.244 -0.979 78 HD2 PHE 9 HD1 PHE 9 -3.755 5.342 2.864 79 HE1 PHE 9 HE2 PHE 9 -2.554 9.288 0.129 80 HE2 PHE 9 HE1 PHE 9 -2.941 7.393 3.950 81 HZ PHE 9 HZ PHE 9 -2.342 9.367 2.590 82 H LYS 10 H LYS 10 -3.515 2.282 1.483 83 HA LYS 10 HA LYS 10 -1.204 2.702 3.255 84 HB2 LYS 10 HB2 LYS 10 -3.167 0.256 3.272 85 HB3 LYS 10 HB3 LYS 10 -2.067 0.563 4.573 86 HG2 LYS 10 HG3 LYS 10 -3.211 2.704 5.166 87 HG3 LYS 10 HG2 LYS 10 -4.287 2.554 3.775 88 HD2 LYS 10 HD2 LYS 10 -5.203 0.389 4.702 89 HD3 LYS 10 HD3 LYS 10 -4.143 0.544 6.109 90 HE2 LYS 10 HE2 LYS 10 -5.282 2.731 6.730 91 HE3 LYS 10 HE3 LYS 10 -6.333 2.589 5.313 92 HZ2 LYS 10 HZ2 LYS 10 -7.167 0.494 6.223 93 HZ3 LYS 10 HZ3 LYS 10 -6.197 0.622 7.532 94 H THR 11 H THR 11 -1.671 0.185 0.762 95 HA THR 11 HA THR 11 0.633 -1.398 1.541 96 HB THR 11 HB THR 11 -0.788 -1.243 -1.173 97 HG1 THR 11 HG1 THR 11 -0.970 -3.047 1.007 98 HG21 THR 11 HG21 THR 11 0.136 -3.532 -1.587 99 HG22 THR 11 HG22 THR 11 1.119 -3.425 -0.102 100 HG23 THR 11 HG23 THR 11 1.448 -2.337 -1.478 101 H ASN 12 H ASN 12 0.264 1.048 -1.025 102 HA ASN 12 HA ASN 12 3.060 1.202 -1.700 103 HB2 ASN 12 HB3 ASN 12 1.031 1.978 -3.133 104 HB3 ASN 12 HB2 ASN 12 0.920 3.403 -2.144 105 HD21 ASN 12 HD21 ASN 12 2.853 1.727 -4.560 106 HD22 ASN 12 HD22 ASN 12 3.863 3.187 -5.025 107 H GLU 13 H GLU 13 1.201 3.250 0.670 108 HA GLU 13 HA GLU 13 3.364 5.099 1.181 109 HB2 GLU 13 HB2 GLU 13 0.936 5.547 1.567 110 HB3 GLU 13 HB3 GLU 13 0.929 4.425 2.927 111 HG2 GLU 13 HG3 GLU 13 2.528 5.936 4.173 112 HG3 GLU 13 HG2 GLU 13 2.652 6.989 2.766 113 HE2 GLU 13 HE2 GLU 13 0.481 5.630 5.022 114 H ASN 14 H ASN 14 2.471 2.124 2.905 115 HA ASN 14 HA ASN 14 4.710 2.419 4.815 116 HB2 ASN 14 HB3 ASN 14 2.588 0.221 4.615 117 HB3 ASN 14 HB2 ASN 14 3.869 0.233 5.800 118 HD21 ASN 14 HD21 ASN 14 0.774 1.554 5.056 119 HD22 ASN 14 HD22 ASN 14 0.644 2.577 6.573 120 H ASN 15 H ASN 15 3.859 -0.274 2.629 121 HA ASN 15 HA ASN 15 6.496 -1.491 2.856 122 HB2 ASN 15 HB2 ASN 15 4.221 -2.179 0.871 123 HB3 ASN 15 HB3 ASN 15 5.672 -3.113 1.011 124 HD21 ASN 15 HD21 ASN 15 6.072 -4.292 3.013 125 HD22 ASN 15 HD22 ASN 15 4.642 -4.757 4.065 126 H ASP 16 H ASP 16 5.382 0.868 0.512 127 HA ASP 16 HA ASP 16 7.758 0.325 -1.225 128 HB2 ASP 16 HB3 ASP 16 5.535 -0.187 -2.419 129 HB3 ASP 16 HB2 ASP 16 5.141 1.515 -2.288 130 HD2 ASP 16 HD2 ASP 16 7.207 -0.810 -3.571 131 H LYS 17 H LYS 17 8.149 1.607 0.944 132 HA LYS 17 HA LYS 17 8.725 4.407 0.081 133 HB2 LYS 17 HB2 LYS 17 6.851 3.777 2.087 134 HB3 LYS 17 HB3 LYS 17 8.274 4.043 3.049 135 HG2 LYS 17 HG2 LYS 17 7.151 6.120 2.965 136 HG3 LYS 17 HG3 LYS 17 8.532 6.348 1.896 137 HD2 LYS 17 HD3 LYS 17 7.067 5.945 -0.110 138 HD3 LYS 17 HD2 LYS 17 5.691 5.575 0.905 139 HE2 LYS 17 HE3 LYS 17 7.122 8.329 0.837 140 HE3 LYS 17 HE2 LYS 17 5.705 7.916 -0.127 141 HZ2 LYS 17 HZ2 LYS 17 5.778 7.893 2.837 142 HZ3 LYS 17 HZ3 LYS 17 4.475 7.512 1.925 143 H SER 18 H SER 18 9.668 2.222 2.698 144 HA SER 18 HA SER 18 12.499 3.237 2.647 145 HB2 SER 18 HB3 SER 18 11.334 2.387 4.887 146 HB3 SER 18 HB2 SER 18 11.489 0.766 4.227 147 HG SER 18 HG SER 18 13.598 2.622 4.620 148 H GLU 19 H GLU 19 11.109 0.028 1.867 149 HA GLU 19 HA GLU 19 13.449 -0.477 -0.014 150 HB2 GLU 19 HB3 GLU 19 13.759 -1.861 2.031 151 HB3 GLU 19 HB2 GLU 19 12.140 -2.545 1.884 152 HG2 GLU 19 HG3 GLU 19 12.746 -3.601 -0.303 153 HG3 GLU 19 HG2 GLU 19 14.346 -2.860 -0.243 154 HE2 GLU 19 HE2 GLU 19 13.409 -6.119 1.966 155 H LEU 20 H LEU 20 12.081 0.481 -1.528 156 HA LEU 20 HA LEU 20 9.475 -0.224 -2.274 157 HB2 LEU 20 HB2 LEU 20 11.687 0.760 -4.199 158 HB3 LEU 20 HB3 LEU 20 10.000 0.617 -4.537 159 HG LEU 20 HG LEU 20 9.473 2.249 -2.629 160 HD11 LEU 20 HD21 LEU 20 11.313 3.905 -2.051 161 HD12 LEU 20 HD22 LEU 20 11.615 2.312 -1.359 162 HD13 LEU 20 HD23 LEU 20 12.510 2.828 -2.810 163 HD21 LEU 20 HD11 LEU 20 9.908 4.229 -4.078 164 HD22 LEU 20 HD12 LEU 20 9.347 2.859 -5.051 165 HD23 LEU 20 HD13 LEU 20 11.072 3.295 -5.053 166 H ILE 21 H ILE 21 12.345 -1.608 -3.866 167 HA ILE 21 HA ILE 21 10.620 -3.908 -4.939 168 HB ILE 21 HB ILE 21 13.454 -3.187 -5.879 169 HG12 ILE 21 HG12 ILE 21 12.099 -2.858 -8.156 170 HG13 ILE 21 HG11 ILE 21 10.695 -2.623 -7.137 171 HG21 ILE 21 HG21 ILE 21 13.077 -4.904 -7.652 172 HG22 ILE 21 HG22 ILE 21 13.009 -5.641 -6.051 173 HG23 ILE 21 HG23 ILE 21 11.500 -5.330 -6.939 174 HD11 ILE 21 HD11 ILE 21 11.816 -0.487 -7.890 175 HD12 ILE 21 HD12 ILE 21 13.305 -0.943 -7.031 176 HD13 ILE 21 HD13 ILE 21 11.814 -0.583 -6.123 Start of MODEL 8 1 H1 TYR 1 H TYR 1 -18.420 -5.540 0.434 2 HA TYR 1 HA TYR 1 -16.665 -5.592 -1.031 3 HB2 TYR 1 HB2 TYR 1 -18.353 -4.187 -3.163 4 HB3 TYR 1 HB3 TYR 1 -16.801 -4.962 -3.398 5 HD1 TYR 1 HD2 TYR 1 -16.555 -7.491 -3.083 6 HD2 TYR 1 HD3 TYR 1 -20.406 -5.567 -3.093 7 HE1 TYR 1 HE2 TYR 1 -17.642 -9.650 -3.520 8 HE2 TYR 1 HE3 TYR 1 -21.478 -7.732 -3.528 9 HH TYR 1 HH TYR 1 -19.559 -10.721 -3.849 10 H ASP 2 H ASP 2 -15.497 -4.366 0.377 11 HA ASP 2 HA ASP 2 -15.131 -1.401 -0.158 12 HB2 ASP 2 HB3 ASP 2 -15.323 -2.283 2.229 13 HB3 ASP 2 HB2 ASP 2 -13.751 -3.050 2.053 14 HD2 ASP 2 HD2 ASP 2 -15.471 -0.125 1.979 15 H ASN 3 H ASN 3 -13.233 -0.501 -0.839 16 HA ASN 3 HA ASN 3 -10.849 -2.018 -1.534 17 HB2 ASN 3 HB3 ASN 3 -12.276 -2.604 -3.544 18 HB3 ASN 3 HB2 ASN 3 -12.479 -0.904 -3.907 19 HD21 ASN 3 HD21 ASN 3 -9.925 -3.395 -3.502 20 HD22 ASN 3 HD22 ASN 3 -8.834 -2.685 -4.795 21 H ILE 4 H ILE 4 -10.651 -0.408 0.239 22 HA ILE 4 HA ILE 4 -9.502 2.150 -0.760 23 HB ILE 4 HB ILE 4 -11.265 1.800 1.626 24 HG12 ILE 4 HG11 ILE 4 -12.660 2.053 -0.370 25 HG13 ILE 4 HG12 ILE 4 -12.845 3.393 0.724 26 HG21 ILE 4 HG21 ILE 4 -9.719 4.319 0.826 27 HG22 ILE 4 HG22 ILE 4 -9.452 3.321 2.273 28 HG23 ILE 4 HG23 ILE 4 -10.963 4.234 2.117 29 HD11 ILE 4 HD11 ILE 4 -11.164 3.520 -1.875 30 HD12 ILE 4 HD12 ILE 4 -11.472 4.881 -0.770 31 HD13 ILE 4 HD13 ILE 4 -12.816 4.141 -1.664 32 H LEU 5 H LEU 5 -9.678 0.774 2.492 33 HA LEU 5 HA LEU 5 -6.887 0.935 2.991 34 HB2 LEU 5 HB3 LEU 5 -8.905 -0.900 4.491 35 HB3 LEU 5 HB2 LEU 5 -7.322 -0.502 5.069 36 HG LEU 5 HG LEU 5 -8.712 0.773 6.349 37 HD11 LEU 5 HD21 LEU 5 -8.158 3.142 5.973 38 HD12 LEU 5 HD22 LEU 5 -6.764 2.126 5.550 39 HD13 LEU 5 HD23 LEU 5 -7.774 2.833 4.263 40 HD21 LEU 5 HD11 LEU 5 -10.572 2.214 5.699 41 HD22 LEU 5 HD12 LEU 5 -10.301 1.899 3.974 42 HD23 LEU 5 HD13 LEU 5 -10.830 0.584 5.048 43 H VAL 6 H VAL 6 -8.534 -1.906 1.671 44 HA VAL 6 HA VAL 6 -6.376 -3.820 2.195 45 HB VAL 6 HB VAL 6 -8.407 -4.097 -0.109 46 HG11 VAL 6 HG11 VAL 6 -6.776 -6.240 1.406 47 HG12 VAL 6 HG12 VAL 6 -6.483 -5.708 -0.267 48 HG13 VAL 6 HG13 VAL 6 -7.990 -6.543 0.136 49 HG21 VAL 6 HG21 VAL 6 -9.695 -3.769 1.941 50 HG22 VAL 6 HG22 VAL 6 -8.737 -5.010 2.793 51 HG23 VAL 6 HG23 VAL 6 -9.793 -5.455 1.413 52 H LYS 7 H LYS 7 -7.052 -1.866 -0.694 53 HA LYS 7 HA LYS 7 -4.513 -2.657 -2.023 54 HB2 LYS 7 HB2 LYS 7 -4.951 -1.110 -3.800 55 HB3 LYS 7 HB3 LYS 7 -6.351 -2.105 -3.476 56 HG2 LYS 7 HG3 LYS 7 -7.525 -0.217 -2.363 57 HG3 LYS 7 HG2 LYS 7 -6.093 0.811 -2.488 58 HD2 LYS 7 HD2 LYS 7 -6.193 0.636 -5.021 59 HD3 LYS 7 HD3 LYS 7 -7.663 -0.330 -4.879 60 HE2 LYS 7 HE2 LYS 7 -8.786 1.639 -3.666 61 HE3 LYS 7 HE3 LYS 7 -7.314 2.590 -3.893 62 HZ2 LYS 7 HZ2 LYS 7 -7.580 2.361 -6.277 63 HZ3 LYS 7 HZ3 LYS 7 -8.903 3.050 -5.607 64 H MET 8 H MET 8 -5.387 0.244 -0.117 65 HA MET 8 HA MET 8 -2.826 1.578 -0.550 66 HB2 MET 8 HB3 MET 8 -4.867 2.195 1.547 67 HB3 MET 8 HB2 MET 8 -3.446 3.151 1.212 68 HG2 MET 8 HG2 MET 8 -5.986 2.937 -0.455 69 HG3 MET 8 HG3 MET 8 -5.049 4.336 0.049 70 HE1 MET 8 HE1 MET 8 -3.151 5.487 -1.311 71 HE2 MET 8 HE2 MET 8 -2.088 4.126 -0.832 72 HE3 MET 8 HE3 MET 8 -2.164 4.643 -2.542 73 H PHE 9 H PHE 9 -3.562 -1.019 1.644 74 HA PHE 9 HA PHE 9 -1.516 -0.343 3.683 75 HB2 PHE 9 HB3 PHE 9 -3.456 -1.796 4.232 76 HB3 PHE 9 HB2 PHE 9 -2.926 -3.012 3.098 77 HD1 PHE 9 HD1 PHE 9 -2.033 -1.280 6.323 78 HD2 PHE 9 HD2 PHE 9 -1.159 -4.613 3.743 79 HE1 PHE 9 HE1 PHE 9 -0.645 -2.294 8.084 80 HE2 PHE 9 HE2 PHE 9 0.226 -5.609 5.516 81 HZ PHE 9 HZ PHE 9 0.486 -4.456 7.685 82 H LYS 10 H LYS 10 -1.560 -2.865 1.174 83 HA LYS 10 HA LYS 10 1.348 -3.267 1.281 84 HB2 LYS 10 HB3 LYS 10 -0.566 -4.051 -1.070 85 HB3 LYS 10 HB2 LYS 10 1.072 -4.608 -1.002 86 HG2 LYS 10 HG3 LYS 10 0.631 -5.915 1.096 87 HG3 LYS 10 HG2 LYS 10 -1.017 -5.284 1.172 88 HD2 LYS 10 HD2 LYS 10 -1.538 -6.356 -1.051 89 HD3 LYS 10 HD3 LYS 10 0.115 -6.977 -1.144 90 HE2 LYS 10 HE3 LYS 10 -0.270 -8.322 0.983 91 HE3 LYS 10 HE2 LYS 10 -1.924 -7.699 1.076 92 HZ2 LYS 10 HZ2 LYS 10 -1.879 -9.840 0.039 93 HZ3 LYS 10 HZ3 LYS 10 -2.398 -8.732 -1.046 94 H THR 11 H THR 11 -0.461 -1.045 -0.829 95 HA THR 11 HA THR 11 1.729 -0.449 -2.619 96 HB THR 11 HB THR 11 -0.686 1.294 -1.871 97 HG1 THR 11 HG1 THR 11 -0.176 -0.475 -4.026 98 HG21 THR 11 HG21 THR 11 -0.366 2.386 -4.098 99 HG22 THR 11 HG22 THR 11 1.025 2.708 -3.039 100 HG23 THR 11 HG23 THR 11 1.160 1.494 -4.340 101 H ASN 12 H ASN 12 0.578 1.424 0.186 102 HA ASN 12 HA ASN 12 2.862 3.177 0.335 103 HB2 ASN 12 HB3 ASN 12 0.487 3.563 1.305 104 HB3 ASN 12 HB2 ASN 12 0.853 2.461 2.600 105 HD21 ASN 12 HD22 ASN 12 1.924 3.340 4.378 106 HD22 ASN 12 HD21 ASN 12 2.534 5.069 4.447 107 H GLU 13 H GLU 13 2.338 0.051 2.077 108 HA GLU 13 HA GLU 13 4.611 0.363 3.845 109 HB2 GLU 13 HB3 GLU 13 2.612 -1.050 4.312 110 HB3 GLU 13 HB2 GLU 13 3.099 -2.188 3.059 111 HG2 GLU 13 HG3 GLU 13 5.180 -2.744 4.376 112 HG3 GLU 13 HG2 GLU 13 4.772 -1.521 5.577 113 HE2 GLU 13 HE2 GLU 13 2.450 -3.428 7.249 114 H ASN 14 H ASN 14 4.268 -1.619 0.905 115 HA ASN 14 HA ASN 14 7.032 -2.512 0.882 116 HB2 ASN 14 HB2 ASN 14 4.962 -2.640 -1.377 117 HB3 ASN 14 HB3 ASN 14 6.581 -3.273 -1.533 118 HD21 ASN 14 HD21 ASN 14 3.462 -3.995 -0.280 119 HD22 ASN 14 HD22 ASN 14 3.930 -5.613 0.445 120 H ASN 15 H ASN 15 5.495 0.028 -1.097 121 HA ASN 15 HA ASN 15 8.010 0.797 -2.413 122 HB2 ASN 15 HB2 ASN 15 5.307 2.295 -2.340 123 HB3 ASN 15 HB3 ASN 15 6.695 2.884 -3.197 124 HD21 ASN 15 HD22 ASN 15 4.025 0.800 -3.455 125 HD22 ASN 15 HD21 ASN 15 4.478 0.084 -5.083 126 H ASP 16 H ASP 16 6.071 2.590 -0.022 127 HA ASP 16 HA ASP 16 6.706 4.208 1.559 128 HB2 ASP 16 HB2 ASP 16 7.859 2.177 2.509 129 HB3 ASP 16 HB3 ASP 16 9.350 2.702 1.757 130 HD2 ASP 16 HD2 ASP 16 10.400 4.298 2.602 131 H LYS 17 H LYS 17 6.577 5.331 -0.591 132 HA LYS 17 HA LYS 17 6.934 7.311 -1.628 133 HB2 LYS 17 HB3 LYS 17 7.981 8.219 0.408 134 HB3 LYS 17 HB2 LYS 17 9.517 7.575 -0.107 135 HG2 LYS 17 HG3 LYS 17 9.414 10.002 -0.525 136 HG3 LYS 17 HG2 LYS 17 9.540 9.172 -2.072 137 HD2 LYS 17 HD2 LYS 17 7.044 9.420 -2.429 138 HD3 LYS 17 HD3 LYS 17 6.877 10.124 -0.833 139 HE2 LYS 17 HE2 LYS 17 6.804 11.961 -2.393 140 HE3 LYS 17 HE3 LYS 17 8.351 12.097 -1.559 141 HZ2 LYS 17 HZ2 LYS 17 9.388 11.010 -3.492 142 HZ3 LYS 17 HZ3 LYS 17 7.944 10.894 -4.250 143 H SER 18 H SER 18 9.904 5.370 -1.629 144 HA SER 18 HA SER 18 9.815 5.326 -4.694 145 HB2 SER 18 HB2 SER 18 11.727 6.970 -3.829 146 HB3 SER 18 HB3 SER 18 12.456 5.569 -3.070 147 HG SER 18 HG SER 18 11.805 5.817 -5.821 148 H GLU 19 H GLU 19 12.180 3.625 -2.674 149 HA GLU 19 HA GLU 19 10.514 1.142 -2.489 150 HB2 GLU 19 HB3 GLU 19 11.426 1.056 -4.813 151 HB3 GLU 19 HB2 GLU 19 13.071 1.297 -4.230 152 HG2 GLU 19 HG3 GLU 19 12.988 -0.871 -2.999 153 HG3 GLU 19 HG2 GLU 19 11.294 -1.089 -3.448 154 HE2 GLU 19 HE2 GLU 19 14.312 -1.805 -6.059 155 H LEU 20 H LEU 20 10.770 1.582 -0.203 156 HA LEU 20 HA LEU 20 13.626 1.451 0.882 157 HB2 LEU 20 HB3 LEU 20 11.762 3.198 1.770 158 HB3 LEU 20 HB2 LEU 20 11.189 1.830 2.682 159 HG LEU 20 HG LEU 20 12.573 3.299 3.993 160 HD11 LEU 20 HD11 LEU 20 14.158 1.766 5.070 161 HD12 LEU 20 HD12 LEU 20 14.171 0.691 3.654 162 HD13 LEU 20 HD13 LEU 20 12.687 0.882 4.622 163 HD21 LEU 20 HD21 LEU 20 14.030 4.268 2.202 164 HD22 LEU 20 HD22 LEU 20 14.992 2.770 2.161 165 HD23 LEU 20 HD23 LEU 20 14.959 3.771 3.630 166 H ILE 21 H ILE 21 10.647 -0.148 2.019 167 HA ILE 21 HA ILE 21 11.972 -2.829 1.707 168 HB ILE 21 HB ILE 21 12.837 -2.072 3.896 169 HG12 ILE 21 HG12 ILE 21 12.229 -4.082 5.294 170 HG13 ILE 21 HG11 ILE 21 10.960 -4.496 4.154 171 HG21 ILE 21 HG21 ILE 21 9.986 -2.179 5.062 172 HG22 ILE 21 HG22 ILE 21 10.889 -0.684 4.726 173 HG23 ILE 21 HG23 ILE 21 11.499 -1.833 5.929 174 HD11 ILE 21 HD11 ILE 21 13.065 -5.832 3.811 175 HD12 ILE 21 HD12 ILE 21 13.983 -4.345 3.477 176 HD13 ILE 21 HD13 ILE 21 12.702 -4.882 2.356 Start of MODEL 9 1 H1 TYR 1 H TYR 1 -15.045 0.943 2.706 2 HA TYR 1 HA TYR 1 -16.484 -0.748 0.605 3 HB2 TYR 1 HB3 TYR 1 -14.708 1.680 -0.097 4 HB3 TYR 1 HB2 TYR 1 -15.164 0.423 -1.239 5 HD1 TYR 1 HD2 TYR 1 -17.627 0.072 -1.857 6 HD2 TYR 1 HD3 TYR 1 -16.321 3.473 0.434 7 HE1 TYR 1 HE2 TYR 1 -19.719 1.246 -2.391 8 HE2 TYR 1 HE3 TYR 1 -18.416 4.634 -0.107 9 HH TYR 1 HH TYR 1 -20.364 4.533 -1.169 10 H ASP 2 H ASP 2 -15.464 -2.573 0.611 11 HA ASP 2 HA ASP 2 -12.407 -2.717 0.966 12 HB2 ASP 2 HB2 ASP 2 -13.707 -3.646 2.926 13 HB3 ASP 2 HB3 ASP 2 -14.456 -4.837 1.877 14 HD2 ASP 2 HD2 ASP 2 -13.231 -6.354 0.994 15 H ASN 3 H ASN 3 -12.005 -2.531 -1.217 16 HA ASN 3 HA ASN 3 -12.232 -4.942 -2.811 17 HB2 ASN 3 HB2 ASN 3 -13.464 -4.117 -4.780 18 HB3 ASN 3 HB3 ASN 3 -14.459 -4.317 -3.367 19 HD21 ASN 3 HD22 ASN 3 -13.678 -2.165 -5.849 20 HD22 ASN 3 HD21 ASN 3 -14.582 -0.715 -5.179 21 H ILE 4 H ILE 4 -10.132 -4.885 -2.967 22 HA ILE 4 HA ILE 4 -8.023 -4.484 -3.495 23 HB ILE 4 HB ILE 4 -9.113 -4.893 -5.651 24 HG12 ILE 4 HG12 ILE 4 -6.403 -3.457 -5.915 25 HG13 ILE 4 HG11 ILE 4 -6.593 -5.013 -5.132 26 HG21 ILE 4 HG21 ILE 4 -8.546 -1.917 -6.263 27 HG22 ILE 4 HG22 ILE 4 -8.963 -3.150 -7.479 28 HG23 ILE 4 HG23 ILE 4 -10.139 -2.719 -6.245 29 HD11 ILE 4 HD11 ILE 4 -7.501 -6.028 -7.263 30 HD12 ILE 4 HD12 ILE 4 -7.210 -4.479 -8.101 31 HD13 ILE 4 HD13 ILE 4 -5.847 -5.392 -7.422 32 H LEU 5 H LEU 5 -9.548 -1.362 -3.509 33 HA LEU 5 HA LEU 5 -6.979 0.080 -3.365 34 HB2 LEU 5 HB2 LEU 5 -9.862 1.153 -3.048 35 HB3 LEU 5 HB3 LEU 5 -8.468 2.197 -3.065 36 HG LEU 5 HG LEU 5 -9.314 0.417 -5.430 37 HD11 LEU 5 HD21 LEU 5 -9.675 3.456 -5.028 38 HD12 LEU 5 HD22 LEU 5 -10.968 2.233 -4.978 39 HD13 LEU 5 HD23 LEU 5 -10.094 2.533 -6.492 40 HD21 LEU 5 HD11 LEU 5 -7.689 1.781 -6.786 41 HD22 LEU 5 HD12 LEU 5 -6.853 0.862 -5.525 42 HD23 LEU 5 HD13 LEU 5 -7.131 2.608 -5.310 43 H VAL 6 H VAL 6 -9.356 -0.747 -0.874 44 HA VAL 6 HA VAL 6 -8.229 0.996 1.194 45 HB VAL 6 HB VAL 6 -10.553 -0.298 1.142 46 HG11 VAL 6 HG21 VAL 6 -9.787 -2.626 1.124 47 HG12 VAL 6 HG22 VAL 6 -9.070 -2.413 2.751 48 HG13 VAL 6 HG23 VAL 6 -10.824 -2.238 2.519 49 HG21 VAL 6 HG11 VAL 6 -9.818 1.330 2.927 50 HG22 VAL 6 HG12 VAL 6 -8.991 0.009 3.792 51 HG23 VAL 6 HG13 VAL 6 -10.766 -0.009 3.610 52 H LYS 7 H LYS 7 -7.600 -2.359 0.636 53 HA LYS 7 HA LYS 7 -5.340 -2.546 2.527 54 HB2 LYS 7 HB3 LYS 7 -4.811 -4.782 1.560 55 HB3 LYS 7 HB2 LYS 7 -6.440 -4.586 2.163 56 HG2 LYS 7 HG LYS 7 -7.359 -4.379 -0.113 57 HG3 LYS 7 HG3 LYS 7 -5.746 -4.429 -0.838 58 HD2 LYS 7 HD2 LYS 7 -5.425 -6.785 0.055 59 HD3 LYS 7 HD3 LYS 7 -7.001 -6.701 0.827 60 HE2 LYS 7 HE3 LYS 7 -7.314 -7.973 -1.186 61 HE3 LYS 7 HE2 LYS 7 -8.116 -6.428 -1.452 62 HZ2 LYS 7 HZ2 LYS 7 -6.192 -5.708 -2.732 63 HZ3 LYS 7 HZ3 LYS 7 -6.837 -7.075 -3.356 64 H MET 8 H MET 8 -5.304 -1.999 -1.009 65 HA MET 8 HA MET 8 -2.375 -2.015 -1.179 66 HB2 MET 8 HB2 MET 8 -4.295 -1.002 -3.235 67 HB3 MET 8 HB3 MET 8 -2.573 -1.169 -3.455 68 HG2 MET 8 HG3 MET 8 -4.648 -3.412 -3.327 69 HG3 MET 8 HG2 MET 8 -3.362 -3.064 -4.486 70 HE1 MET 8 HE1 MET 8 -2.048 -6.491 -3.169 71 HE2 MET 8 HE2 MET 8 -2.307 -5.473 -4.617 72 HE3 MET 8 HE3 MET 8 -3.704 -5.993 -3.625 73 H PHE 9 H PHE 9 -4.495 0.526 -0.122 74 HA PHE 9 HA PHE 9 -2.782 2.799 -0.936 75 HB2 PHE 9 HB2 PHE 9 -5.204 3.103 -0.498 76 HB3 PHE 9 HB3 PHE 9 -5.014 2.637 1.172 77 HD1 PHE 9 HD2 PHE 9 -4.131 5.290 -1.351 78 HD2 PHE 9 HD1 PHE 9 -4.209 4.280 2.833 79 HE1 PHE 9 HE2 PHE 9 -3.633 7.628 -0.764 80 HE2 PHE 9 HE1 PHE 9 -3.704 6.620 3.397 81 HZ PHE 9 HZ PHE 9 -3.417 8.297 1.606 82 H LYS 10 H LYS 10 -3.340 1.339 2.256 83 HA LYS 10 HA LYS 10 -0.926 2.580 3.407 84 HB2 LYS 10 HB3 LYS 10 -2.610 0.336 4.673 85 HB3 LYS 10 HB2 LYS 10 -1.264 1.032 5.501 86 HG2 LYS 10 HG3 LYS 10 -3.809 2.522 4.599 87 HG3 LYS 10 HG2 LYS 10 -3.284 2.069 6.211 88 HD2 LYS 10 HD2 LYS 10 -1.335 3.671 6.067 89 HD3 LYS 10 HD3 LYS 10 -1.920 4.202 4.484 90 HE2 LYS 10 HE2 LYS 10 -4.113 4.938 5.523 91 HE3 LYS 10 HE3 LYS 10 -3.523 4.438 7.116 92 HZ2 LYS 10 HZ2 LYS 10 -1.693 6.020 6.857 93 HZ3 LYS 10 HZ3 LYS 10 -2.237 6.480 5.386 94 H THR 11 H THR 11 -1.271 -0.616 1.891 95 HA THR 11 HA THR 11 1.230 -1.707 2.864 96 HB THR 11 HB THR 11 -0.364 -2.443 0.346 97 HG1 THR 11 HG1 THR 11 -1.091 -4.087 1.707 98 HG21 THR 11 HG21 THR 11 0.746 -4.679 0.509 99 HG22 THR 11 HG22 THR 11 1.945 -3.410 0.172 100 HG23 THR 11 HG23 THR 11 1.802 -4.084 1.819 101 H ASN 12 H ASN 12 0.472 -0.213 -0.282 102 HA ASN 12 HA ASN 12 3.206 0.012 -1.182 103 HB2 ASN 12 HB3 ASN 12 1.021 0.044 -2.616 104 HB3 ASN 12 HB2 ASN 12 0.793 1.702 -2.149 105 HD21 ASN 12 HD21 ASN 12 2.642 -0.484 -4.134 106 HD22 ASN 12 HD22 ASN 12 3.521 0.815 -5.087 107 H GLU 13 H GLU 13 1.178 2.441 0.574 108 HA GLU 13 HA GLU 13 3.031 4.641 0.350 109 HB2 GLU 13 HB3 GLU 13 0.591 4.825 0.845 110 HB3 GLU 13 HB2 GLU 13 0.841 4.125 2.444 111 HG2 GLU 13 HG3 GLU 13 2.240 6.151 3.080 112 HG3 GLU 13 HG2 GLU 13 2.042 6.798 1.453 113 HE2 GLU 13 HE2 GLU 13 0.429 5.801 4.277 114 H ASN 14 H ASN 14 2.748 2.180 2.895 115 HA ASN 14 HA ASN 14 4.944 3.341 4.480 116 HB2 ASN 14 HB2 ASN 14 2.898 2.386 5.536 117 HB3 ASN 14 HB3 ASN 14 3.322 0.787 4.969 118 HD21 ASN 14 HD22 ASN 14 4.740 -0.400 6.258 119 HD22 ASN 14 HD21 ASN 14 5.520 0.263 7.781 120 H ASN 15 H ASN 15 4.550 0.060 3.142 121 HA ASN 15 HA ASN 15 7.382 -0.581 3.406 122 HB2 ASN 15 HB2 ASN 15 5.130 -2.154 1.977 123 HB3 ASN 15 HB3 ASN 15 6.739 -2.777 2.157 124 HD21 ASN 15 HD21 ASN 15 7.524 -3.278 4.320 125 HD22 ASN 15 HD22 ASN 15 6.308 -3.632 5.647 126 H ASP 16 H ASP 16 5.760 0.866 0.695 127 HA ASP 16 HA ASP 16 8.063 0.233 -1.098 128 HB2 ASP 16 HB3 ASP 16 6.003 -1.010 -1.912 129 HB3 ASP 16 HB2 ASP 16 5.193 0.526 -2.146 130 HD2 ASP 16 HD2 ASP 16 5.608 1.621 -3.819 131 H LYS 17 H LYS 17 8.364 2.106 0.551 132 HA LYS 17 HA LYS 17 8.313 4.588 -1.105 133 HB2 LYS 17 HB2 LYS 17 6.793 4.295 1.252 134 HB3 LYS 17 HB3 LYS 17 8.222 5.060 1.876 135 HG2 LYS 17 HG2 LYS 17 6.703 6.809 1.382 136 HG3 LYS 17 HG3 LYS 17 7.923 6.922 0.117 137 HD2 LYS 17 HD2 LYS 17 6.363 5.704 -1.487 138 HD3 LYS 17 HD3 LYS 17 5.211 5.468 -0.191 139 HE2 LYS 17 HE2 LYS 17 4.369 7.290 -1.514 140 HE3 LYS 17 HE3 LYS 17 4.904 7.998 0.008 141 HZ2 LYS 17 HZ2 LYS 17 6.938 8.708 -1.099 142 HZ3 LYS 17 HZ3 LYS 17 5.617 9.309 -1.852 143 H SER 18 H SER 18 9.856 3.500 1.881 144 HA SER 18 HA SER 18 12.456 4.794 1.122 145 HB2 SER 18 HB2 SER 18 11.672 4.544 3.656 146 HB3 SER 18 HB3 SER 18 12.037 2.832 3.489 147 HG SER 18 HG SER 18 13.828 4.981 3.018 148 H GLU 19 H GLU 19 11.468 1.362 1.284 149 HA GLU 19 HA GLU 19 13.924 0.621 -0.344 150 HB2 GLU 19 HB3 GLU 19 14.226 -0.223 1.975 151 HB3 GLU 19 HB2 GLU 19 12.669 -1.049 1.940 152 HG2 GLU 19 HG2 GLU 19 13.451 -2.528 0.084 153 HG3 GLU 19 HG3 GLU 19 14.993 -1.673 0.012 154 HE2 GLU 19 HE2 GLU 19 16.363 -3.198 2.805 155 H LEU 20 H LEU 20 12.600 1.062 -2.095 156 HA LEU 20 HA LEU 20 10.077 0.039 -2.744 157 HB2 LEU 20 HB2 LEU 20 12.336 0.548 -4.784 158 HB3 LEU 20 HB3 LEU 20 10.641 0.411 -5.104 159 HG LEU 20 HG LEU 20 11.199 2.665 -5.302 160 HD11 LEU 20 HD21 LEU 20 9.631 2.434 -2.672 161 HD12 LEU 20 HD22 LEU 20 9.607 3.813 -3.795 162 HD13 LEU 20 HD23 LEU 20 8.948 2.245 -4.306 163 HD21 LEU 20 HD11 LEU 20 12.248 2.884 -2.419 164 HD22 LEU 20 HD12 LEU 20 13.271 2.765 -3.874 165 HD23 LEU 20 HD13 LEU 20 12.186 4.152 -3.657 166 H ILE 21 H ILE 21 13.118 -1.543 -3.696 167 HA ILE 21 HA ILE 21 11.737 -4.222 -3.635 168 HB ILE 21 HB ILE 21 11.403 -3.523 -5.959 169 HG12 ILE 21 HG11 ILE 21 13.353 -5.897 -5.819 170 HG13 ILE 21 HG12 ILE 21 11.703 -5.951 -5.226 171 HG21 ILE 21 HG21 ILE 21 13.474 -2.114 -6.362 172 HG22 ILE 21 HG22 ILE 21 14.455 -3.598 -6.438 173 HG23 ILE 21 HG23 ILE 21 13.186 -3.297 -7.645 174 HD11 ILE 21 HD11 ILE 21 12.483 -5.480 -8.171 175 HD12 ILE 21 HD12 ILE 21 11.767 -6.944 -7.463 176 HD13 ILE 21 HD13 ILE 21 10.812 -5.445 -7.542 Start of MODEL 10 1 H1 TYR 1 H TYR 1 -17.314 -5.081 3.326 2 HA TYR 1 HA TYR 1 -18.878 -3.639 1.100 3 HB2 TYR 1 HB2 TYR 1 -17.499 -2.301 3.514 4 HB3 TYR 1 HB3 TYR 1 -18.031 -1.452 2.070 5 HD1 TYR 1 HD3 TYR 1 -20.506 -1.295 1.494 6 HD2 TYR 1 HD2 TYR 1 -19.166 -2.954 5.232 7 HE1 TYR 1 HE3 TYR 1 -22.758 -1.017 2.434 8 HE2 TYR 1 HE2 TYR 1 -21.422 -2.671 6.159 9 HH TYR 1 HH TYR 1 -24.067 -1.287 4.208 10 H ASP 2 H ASP 2 -17.658 -3.917 -0.650 11 HA ASP 2 HA ASP 2 -14.698 -4.228 -0.508 12 HB2 ASP 2 HB3 ASP 2 -14.892 -4.792 -2.870 13 HB3 ASP 2 HB2 ASP 2 -16.153 -5.705 -2.097 14 HD2 ASP 2 HD2 ASP 2 -15.353 -3.339 -4.265 15 H ASN 3 H ASN 3 -13.153 -2.823 -1.171 16 HA ASN 3 HA ASN 3 -13.632 -0.399 -2.622 17 HB2 ASN 3 HB2 ASN 3 -14.544 0.409 -0.376 18 HB3 ASN 3 HB3 ASN 3 -13.011 0.049 0.379 19 HD21 ASN 3 HD22 ASN 3 -14.600 2.121 -2.028 20 HD22 ASN 3 HD21 ASN 3 -13.349 3.460 -1.939 21 H ILE 4 H ILE 4 -11.953 -0.874 -3.842 22 HA ILE 4 HA ILE 4 -9.569 -2.240 -3.151 23 HB ILE 4 HB ILE 4 -10.501 -2.010 -5.414 24 HG12 ILE 4 HG11 ILE 4 -7.505 -1.336 -5.393 25 HG13 ILE 4 HG12 ILE 4 -8.151 -2.888 -4.890 26 HG21 ILE 4 HG21 ILE 4 -10.855 0.487 -5.488 27 HG22 ILE 4 HG22 ILE 4 -9.960 -0.110 -6.898 28 HG23 ILE 4 HG23 ILE 4 -9.093 0.731 -5.584 29 HD11 ILE 4 HD11 ILE 4 -9.169 -3.250 -7.179 30 HD12 ILE 4 HD12 ILE 4 -7.401 -3.051 -7.220 31 HD13 ILE 4 HD13 ILE 4 -8.452 -1.709 -7.724 32 H LEU 5 H LEU 5 -10.126 1.068 -2.457 33 HA LEU 5 HA LEU 5 -7.305 1.909 -2.429 34 HB2 LEU 5 HB2 LEU 5 -9.270 3.443 -3.047 35 HB3 LEU 5 HB3 LEU 5 -9.805 3.433 -1.401 36 HG LEU 5 HG LEU 5 -8.618 5.469 -2.276 37 HD11 LEU 5 HD11 LEU 5 -8.938 5.150 0.171 38 HD12 LEU 5 HD12 LEU 5 -7.493 6.104 -0.215 39 HD13 LEU 5 HD13 LEU 5 -7.323 4.417 0.303 40 HD21 LEU 5 HD21 LEU 5 -5.981 3.904 -2.023 41 HD22 LEU 5 HD22 LEU 5 -6.745 4.424 -3.545 42 HD23 LEU 5 HD23 LEU 5 -6.161 5.636 -2.386 43 H VAL 6 H VAL 6 -9.479 0.704 0.098 44 HA VAL 6 HA VAL 6 -7.933 1.666 2.382 45 HB VAL 6 HB VAL 6 -9.668 -0.886 2.432 46 HG11 VAL 6 HG21 VAL 6 -8.195 -0.651 4.458 47 HG12 VAL 6 HG22 VAL 6 -9.898 -0.401 4.868 48 HG13 VAL 6 HG23 VAL 6 -8.805 0.999 4.724 49 HG21 VAL 6 HG11 VAL 6 -11.069 0.911 1.600 50 HG22 VAL 6 HG12 VAL 6 -10.553 1.999 2.915 51 HG23 VAL 6 HG13 VAL 6 -11.511 0.523 3.266 52 H LYS 7 H LYS 7 -7.708 -1.461 0.722 53 HA LYS 7 HA LYS 7 -5.241 -2.205 2.235 54 HB2 LYS 7 HB3 LYS 7 -5.073 -4.245 0.986 55 HB3 LYS 7 HB2 LYS 7 -6.672 -4.033 1.658 56 HG2 LYS 7 HG2 LYS 7 -7.551 -3.346 -0.580 57 HG3 LYS 7 HG3 LYS 7 -5.971 -3.557 -1.319 58 HD2 LYS 7 HD2 LYS 7 -7.590 -5.827 0.037 59 HD3 LYS 7 HD3 LYS 7 -7.659 -5.419 -1.660 60 HE2 LYS 7 HE3 LYS 7 -6.206 -7.252 -1.651 61 HE3 LYS 7 HE2 LYS 7 -5.118 -5.884 -1.851 62 HZ2 LYS 7 HZ2 LYS 7 -4.606 -6.025 0.514 63 HZ3 LYS 7 HZ3 LYS 7 -4.279 -7.433 -0.249 64 H MET 8 H MET 8 -5.722 -0.941 -1.085 65 HA MET 8 HA MET 8 -2.893 -1.200 -1.792 66 HB2 MET 8 HB3 MET 8 -4.959 0.375 -3.268 67 HB3 MET 8 HB2 MET 8 -3.337 0.039 -3.818 68 HG2 MET 8 HG2 MET 8 -5.700 -1.886 -3.690 69 HG3 MET 8 HG3 MET 8 -4.543 -1.538 -4.975 70 HE1 MET 8 HE1 MET 8 -5.473 -4.509 -4.096 71 HE2 MET 8 HE2 MET 8 -3.907 -5.365 -4.210 72 HE3 MET 8 HE3 MET 8 -4.363 -4.171 -5.461 73 H PHE 9 H PHE 9 -4.476 1.306 0.032 74 HA PHE 9 HA PHE 9 -2.640 3.510 -0.717 75 HB2 PHE 9 HB3 PHE 9 -4.928 3.940 0.162 76 HB3 PHE 9 HB2 PHE 9 -4.523 3.223 1.700 77 HD1 PHE 9 HD2 PHE 9 -3.949 6.159 -0.546 78 HD2 PHE 9 HD1 PHE 9 -3.166 4.514 3.354 79 HE1 PHE 9 HE2 PHE 9 -3.172 8.359 0.239 80 HE2 PHE 9 HE1 PHE 9 -2.387 6.718 4.118 81 HZ PHE 9 HZ PHE 9 -2.388 8.643 2.566 82 H LYS 10 H LYS 10 -2.903 1.603 2.272 83 HA LYS 10 HA LYS 10 -0.184 2.375 3.144 84 HB2 LYS 10 HB2 LYS 10 -1.966 0.209 4.403 85 HB3 LYS 10 HB3 LYS 10 -0.401 0.561 5.039 86 HG2 LYS 10 HG2 LYS 10 -2.732 2.567 4.826 87 HG3 LYS 10 HG3 LYS 10 -2.089 1.759 6.240 88 HD2 LYS 10 HD3 LYS 10 0.101 3.001 6.005 89 HD3 LYS 10 HD2 LYS 10 -0.571 3.886 4.630 90 HE2 LYS 10 HE3 LYS 10 -2.416 4.811 6.103 91 HE3 LYS 10 HE2 LYS 10 -1.721 3.964 7.495 92 HZ2 LYS 10 HZ2 LYS 10 0.310 5.228 7.201 93 HZ3 LYS 10 HZ3 LYS 10 -0.971 6.223 7.410 94 H THR 11 H THR 11 -1.187 -0.450 1.240 95 HA THR 11 HA THR 11 1.247 -1.974 1.645 96 HB THR 11 HB THR 11 -0.790 -2.099 -0.643 97 HG1 THR 11 HG1 THR 11 -1.516 -2.567 1.463 98 HG21 THR 11 HG21 THR 11 0.038 -4.424 -1.042 99 HG22 THR 11 HG22 THR 11 1.312 -3.237 -1.396 100 HG23 THR 11 HG23 THR 11 1.366 -4.174 0.123 101 H ASN 12 H ASN 12 0.277 0.078 -1.108 102 HA ASN 12 HA ASN 12 2.882 0.148 -2.351 103 HB2 ASN 12 HB3 ASN 12 0.579 0.631 -3.453 104 HB3 ASN 12 HB2 ASN 12 0.576 2.203 -2.709 105 HD21 ASN 12 HD22 ASN 12 1.799 3.825 -3.744 106 HD22 ASN 12 HD21 ASN 12 2.753 3.531 -5.283 107 H GLU 13 H GLU 13 1.475 2.435 0.054 108 HA GLU 13 HA GLU 13 3.490 4.495 -0.183 109 HB2 GLU 13 HB2 GLU 13 1.274 4.901 0.738 110 HB3 GLU 13 HB3 GLU 13 1.538 3.815 2.090 111 HG2 GLU 13 HG2 GLU 13 3.224 6.369 1.652 112 HG3 GLU 13 HG3 GLU 13 1.663 6.401 2.450 113 HE2 GLU 13 HE2 GLU 13 1.368 4.945 4.160 114 H ASN 14 H ASN 14 3.150 1.980 2.302 115 HA ASN 14 HA ASN 14 5.699 2.494 3.572 116 HB2 ASN 14 HB3 ASN 14 3.939 -0.008 3.789 117 HB3 ASN 14 HB2 ASN 14 5.373 0.240 4.753 118 HD21 ASN 14 HD21 ASN 14 5.398 2.009 6.308 119 HD22 ASN 14 HD22 ASN 14 3.807 2.647 6.961 120 H ASN 15 H ASN 15 4.894 -0.056 1.224 121 HA ASN 15 HA ASN 15 7.528 -1.255 1.178 122 HB2 ASN 15 HB2 ASN 15 5.304 -2.334 0.362 123 HB3 ASN 15 HB3 ASN 15 5.405 -1.361 -1.078 124 HD21 ASN 15 HD21 ASN 15 6.918 -4.009 0.706 125 HD22 ASN 15 HD22 ASN 15 7.814 -4.692 -0.742 126 H ASP 16 H ASP 16 6.320 1.519 -0.630 127 HA ASP 16 HA ASP 16 8.804 1.606 -2.314 128 HB2 ASP 16 HB3 ASP 16 6.149 3.025 -2.928 129 HB3 ASP 16 HB2 ASP 16 7.623 3.207 -3.842 130 HD2 ASP 16 HD2 ASP 16 5.249 0.035 -4.418 131 H LYS 17 H LYS 17 8.874 2.298 0.413 132 HA LYS 17 HA LYS 17 10.036 5.010 0.184 133 HB2 LYS 17 HB2 LYS 17 7.704 5.350 0.906 134 HB3 LYS 17 HB3 LYS 17 7.860 4.193 2.212 135 HG2 LYS 17 HG2 LYS 17 9.520 6.800 2.094 136 HG3 LYS 17 HG3 LYS 17 7.878 6.736 2.723 137 HD2 LYS 17 HD3 LYS 17 8.618 4.892 4.354 138 HD3 LYS 17 HD2 LYS 17 10.278 5.179 3.842 139 HE2 LYS 17 HE2 LYS 17 10.122 7.603 4.582 140 HE3 LYS 17 HE3 LYS 17 8.452 7.334 5.108 141 HZ2 LYS 17 HZ2 LYS 17 9.965 7.140 6.937 142 HZ3 LYS 17 HZ3 LYS 17 9.245 5.695 6.680 143 H SER 18 H SER 18 9.486 2.372 2.498 144 HA SER 18 HA SER 18 12.182 2.819 3.764 145 HB2 SER 18 HB3 SER 18 10.050 2.085 5.181 146 HB3 SER 18 HB2 SER 18 10.234 0.507 4.431 147 HG SER 18 HG SER 18 12.368 0.451 5.248 148 H GLU 19 H GLU 19 10.818 -0.031 2.054 149 HA GLU 19 HA GLU 19 13.649 -0.789 1.237 150 HB2 GLU 19 HB3 GLU 19 13.009 -2.122 3.247 151 HB3 GLU 19 HB2 GLU 19 11.541 -2.696 2.459 152 HG2 GLU 19 HG2 GLU 19 12.885 -3.880 0.730 153 HG3 GLU 19 HG3 GLU 19 14.383 -3.224 1.396 154 HE2 GLU 19 HE2 GLU 19 14.569 -5.428 4.062 155 H LEU 20 H LEU 20 13.132 0.204 -0.641 156 HA LEU 20 HA LEU 20 10.974 -0.969 -2.469 157 HB2 LEU 20 HB3 LEU 20 11.412 1.663 -2.208 158 HB3 LEU 20 HB2 LEU 20 12.820 1.399 -3.196 159 HG LEU 20 HG LEU 20 9.930 0.689 -4.016 160 HD11 LEU 20 HD11 LEU 20 11.587 3.182 -4.790 161 HD12 LEU 20 HD12 LEU 20 10.226 3.162 -3.646 162 HD13 LEU 20 HD13 LEU 20 9.942 2.791 -5.354 163 HD21 LEU 20 HD21 LEU 20 11.497 -0.616 -5.432 164 HD22 LEU 20 HD22 LEU 20 10.779 0.678 -6.394 165 HD23 LEU 20 HD23 LEU 20 12.449 0.846 -5.798 166 H ILE 21 H ILE 21 14.363 -0.071 -3.131 167 HA ILE 21 HA ILE 21 14.930 -2.895 -4.022 168 HB ILE 21 HB ILE 21 14.029 -1.814 -6.065 169 HG12 ILE 21 HG12 ILE 21 15.881 -2.416 -7.673 170 HG13 ILE 21 HG11 ILE 21 16.995 -2.588 -6.328 171 HG21 ILE 21 HG21 ILE 21 15.203 -0.093 -7.360 172 HG22 ILE 21 HG22 ILE 21 14.840 0.561 -5.754 173 HG23 ILE 21 HG23 ILE 21 16.494 0.037 -6.144 174 HD11 ILE 21 HD11 ILE 21 15.621 -4.523 -5.440 175 HD12 ILE 21 HD12 ILE 21 14.422 -4.271 -6.738 176 HD13 ILE 21 HD13 ILE 21 16.078 -4.789 -7.135 Start of MODEL 11 1 H1 TYR 1 H TYR 1 -19.926 -0.017 -1.054 2 HA TYR 1 HA TYR 1 -19.041 -2.946 -1.077 3 HB2 TYR 1 HB3 TYR 1 -18.436 -0.975 -3.377 4 HB3 TYR 1 HB2 TYR 1 -17.604 -2.503 -3.124 5 HD1 TYR 1 HD3 TYR 1 -18.888 -4.716 -3.293 6 HD2 TYR 1 HD2 TYR 1 -20.652 -0.968 -4.463 7 HE1 TYR 1 HE3 TYR 1 -20.599 -5.916 -4.585 8 HE2 TYR 1 HE2 TYR 1 -22.357 -2.181 -5.750 9 HH TYR 1 HH TYR 1 -22.386 -5.744 -5.891 10 H ASP 2 H ASP 2 -17.702 -2.923 0.543 11 HA ASP 2 HA ASP 2 -15.915 -0.537 1.159 12 HB2 ASP 2 HB3 ASP 2 -17.289 -1.652 3.001 13 HB3 ASP 2 HB2 ASP 2 -16.257 -3.070 2.884 14 HD2 ASP 2 HD2 ASP 2 -16.455 0.222 3.589 15 H ASN 3 H ASN 3 -13.934 -0.501 0.242 16 HA ASN 3 HA ASN 3 -12.272 -2.958 -0.061 17 HB2 ASN 3 HB2 ASN 3 -12.847 -1.041 -2.390 18 HB3 ASN 3 HB3 ASN 3 -11.599 -2.264 -2.383 19 HD21 ASN 3 HD22 ASN 3 -14.800 -1.725 -3.232 20 HD22 ASN 3 HD21 ASN 3 -15.249 -3.478 -3.534 21 H ILE 4 H ILE 4 -10.831 -0.765 -1.518 22 HA ILE 4 HA ILE 4 -8.881 0.420 -1.255 23 HB ILE 4 HB ILE 4 -10.684 1.989 -0.646 24 HG12 ILE 4 HG12 ILE 4 -7.920 2.855 0.401 25 HG13 ILE 4 HG11 ILE 4 -8.256 2.576 -1.298 26 HG21 ILE 4 HG21 ILE 4 -11.216 1.431 1.702 27 HG22 ILE 4 HG22 ILE 4 -9.552 1.803 2.225 28 HG23 ILE 4 HG23 ILE 4 -10.638 3.091 1.643 29 HD11 ILE 4 HD11 ILE 4 -10.039 4.371 -1.285 30 HD12 ILE 4 HD12 ILE 4 -9.631 4.736 0.414 31 HD13 ILE 4 HD13 ILE 4 -8.419 4.971 -0.862 32 H LEU 5 H LEU 5 -9.437 -1.265 1.736 33 HA LEU 5 HA LEU 5 -6.766 -0.758 2.797 34 HB2 LEU 5 HB3 LEU 5 -8.801 -2.959 3.567 35 HB3 LEU 5 HB2 LEU 5 -7.326 -2.698 4.457 36 HG LEU 5 HG LEU 5 -9.545 -0.581 4.168 37 HD11 LEU 5 HD11 LEU 5 -10.145 -1.153 6.521 38 HD12 LEU 5 HD12 LEU 5 -10.330 -2.565 5.465 39 HD13 LEU 5 HD13 LEU 5 -8.921 -2.447 6.548 40 HD21 LEU 5 HD21 LEU 5 -7.050 -0.586 6.003 41 HD22 LEU 5 HD22 LEU 5 -7.337 0.509 4.628 42 HD23 LEU 5 HD23 LEU 5 -8.375 0.604 6.058 43 H VAL 6 H VAL 6 -8.015 -3.534 0.975 44 HA VAL 6 HA VAL 6 -5.594 -5.160 1.156 45 HB VAL 6 HB VAL 6 -7.586 -5.286 -1.197 46 HG11 VAL 6 HG21 VAL 6 -5.485 -6.600 -1.601 47 HG12 VAL 6 HG22 VAL 6 -5.697 -7.448 -0.050 48 HG13 VAL 6 HG23 VAL 6 -6.872 -7.674 -1.372 49 HG21 VAL 6 HG11 VAL 6 -8.789 -7.063 0.037 50 HG22 VAL 6 HG12 VAL 6 -8.907 -5.497 0.853 51 HG23 VAL 6 HG13 VAL 6 -7.796 -6.737 1.495 52 H LYS 7 H LYS 7 -6.565 -2.778 -1.269 53 HA LYS 7 HA LYS 7 -4.094 -2.979 -2.903 54 HB2 LYS 7 HB3 LYS 7 -6.048 -0.595 -2.816 55 HB3 LYS 7 HB2 LYS 7 -4.831 -0.885 -4.038 56 HG2 LYS 7 HG3 LYS 7 -7.423 -2.501 -3.611 57 HG3 LYS 7 HG2 LYS 7 -7.049 -1.370 -4.893 58 HD2 LYS 7 HD2 LYS 7 -5.198 -2.880 -5.735 59 HD3 LYS 7 HD3 LYS 7 -5.588 -4.051 -4.469 60 HE2 LYS 7 HE3 LYS 7 -7.935 -4.301 -5.411 61 HE3 LYS 7 HE2 LYS 7 -7.551 -3.130 -6.681 62 HZ2 LYS 7 HZ2 LYS 7 -5.778 -4.621 -7.426 63 HZ3 LYS 7 HZ3 LYS 7 -6.132 -5.703 -6.253 64 H MET 8 H MET 8 -5.013 -0.677 -0.311 65 HA MET 8 HA MET 8 -2.519 0.844 -0.512 66 HB2 MET 8 HB2 MET 8 -4.535 0.925 1.692 67 HB3 MET 8 HB3 MET 8 -3.159 1.988 1.553 68 HG2 MET 8 HG2 MET 8 -5.709 2.021 -0.115 69 HG3 MET 8 HG3 MET 8 -4.838 3.318 0.692 70 HE1 MET 8 HE1 MET 8 -1.864 3.428 -0.200 71 HE2 MET 8 HE2 MET 8 -1.969 4.316 -1.748 72 HE3 MET 8 HE3 MET 8 -2.979 4.821 -0.361 73 H PHE 9 H PHE 9 -3.098 -2.182 1.069 74 HA PHE 9 HA PHE 9 -1.121 -1.912 3.241 75 HB2 PHE 9 HB2 PHE 9 -2.991 -3.571 3.273 76 HB3 PHE 9 HB3 PHE 9 -2.299 -4.432 1.924 77 HD1 PHE 9 HD1 PHE 9 -1.768 -3.508 5.533 78 HD2 PHE 9 HD2 PHE 9 -0.460 -6.036 2.303 79 HE1 PHE 9 HE1 PHE 9 -0.463 -4.872 7.113 80 HE2 PHE 9 HE2 PHE 9 0.838 -7.385 3.898 81 HZ PHE 9 HZ PHE 9 0.840 -6.809 6.302 82 H LYS 10 H LYS 10 -0.909 -3.686 0.172 83 HA LYS 10 HA LYS 10 2.039 -3.893 0.314 84 HB2 LYS 10 HB2 LYS 10 0.236 -4.332 -2.209 85 HB3 LYS 10 HB3 LYS 10 1.916 -4.748 -2.199 86 HG2 LYS 10 HG3 LYS 10 1.581 -6.498 -0.447 87 HG3 LYS 10 HG2 LYS 10 -0.117 -6.048 -0.274 88 HD2 LYS 10 HD2 LYS 10 -0.546 -6.654 -2.669 89 HD3 LYS 10 HD3 LYS 10 1.140 -7.092 -2.898 90 HE2 LYS 10 HE3 LYS 10 -0.774 -8.476 -0.887 91 HE3 LYS 10 HE2 LYS 10 -0.465 -9.045 -2.525 92 HZ2 LYS 10 HZ2 LYS 10 0.893 -10.213 -0.970 93 HZ3 LYS 10 HZ3 LYS 10 1.851 -9.351 -1.976 94 H THR 11 H THR 11 0.018 -1.476 -1.339 95 HA THR 11 HA THR 11 2.118 -0.283 -2.916 96 HB THR 11 HB THR 11 -0.442 1.020 -1.832 97 HG1 THR 11 HG1 THR 11 0.184 -0.219 -4.302 98 HG21 THR 11 HG21 THR 11 1.325 1.891 -4.212 99 HG22 THR 11 HG22 THR 11 -0.272 2.565 -3.792 100 HG23 THR 11 HG23 THR 11 1.104 2.799 -2.692 101 H ASN 12 H ASN 12 0.864 0.731 0.260 102 HA ASN 12 HA ASN 12 2.874 2.739 0.772 103 HB2 ASN 12 HB2 ASN 12 0.534 2.534 1.866 104 HB3 ASN 12 HB3 ASN 12 1.122 1.221 2.845 105 HD21 ASN 12 HD22 ASN 12 2.232 1.789 4.735 106 HD22 ASN 12 HD21 ASN 12 2.582 3.525 5.216 107 H GLU 13 H GLU 13 2.858 -0.754 1.731 108 HA GLU 13 HA GLU 13 5.212 -0.586 3.408 109 HB2 GLU 13 HB2 GLU 13 3.511 -2.384 3.612 110 HB3 GLU 13 HB3 GLU 13 3.937 -3.008 2.029 111 HG2 GLU 13 HG2 GLU 13 4.910 -4.431 3.744 112 HG3 GLU 13 HG3 GLU 13 6.208 -3.668 2.851 113 HE2 GLU 13 HE2 GLU 13 5.566 -2.880 6.777 114 H ASN 14 H ASN 14 4.882 -1.807 0.082 115 HA ASN 14 HA ASN 14 7.703 -2.230 -0.362 116 HB2 ASN 14 HB3 ASN 14 5.472 -1.953 -2.440 117 HB3 ASN 14 HB2 ASN 14 7.121 -2.323 -2.874 118 HD21 ASN 14 HD21 ASN 14 8.080 -4.334 -2.070 119 HD22 ASN 14 HD22 ASN 14 6.968 -5.748 -1.709 120 H ASN 15 H ASN 15 5.744 0.572 -1.361 121 HA ASN 15 HA ASN 15 8.056 1.986 -2.527 122 HB2 ASN 15 HB3 ASN 15 5.200 3.025 -1.970 123 HB3 ASN 15 HB2 ASN 15 6.440 4.002 -2.688 124 HD21 ASN 15 HD22 ASN 15 7.222 3.439 -4.831 125 HD22 ASN 15 HD21 ASN 15 6.156 2.439 -5.940 126 H ASP 16 H ASP 16 5.972 2.935 0.205 127 HA ASP 16 HA ASP 16 6.454 4.117 2.170 128 HB2 ASP 16 HB2 ASP 16 7.694 1.957 2.628 129 HB3 ASP 16 HB3 ASP 16 9.172 2.748 2.120 130 HD2 ASP 16 HD2 ASP 16 6.702 2.559 4.379 131 H LYS 17 H LYS 17 6.348 5.765 0.390 132 HA LYS 17 HA LYS 17 6.688 7.929 -0.179 133 HB2 LYS 17 HB2 LYS 17 7.471 8.348 2.120 134 HB3 LYS 17 HB3 LYS 17 9.090 7.930 1.637 135 HG2 LYS 17 HG3 LYS 17 8.865 10.370 1.811 136 HG3 LYS 17 HG2 LYS 17 9.175 9.968 0.126 137 HD2 LYS 17 HD3 LYS 17 6.727 10.188 -0.408 138 HD3 LYS 17 HD2 LYS 17 6.356 10.470 1.293 139 HE2 LYS 17 HE3 LYS 17 7.758 12.606 1.237 140 HE3 LYS 17 HE2 LYS 17 8.128 12.313 -0.469 141 HZ2 LYS 17 HZ2 LYS 17 6.305 13.828 -0.239 142 HZ3 LYS 17 HZ3 LYS 17 5.778 12.463 -0.969 143 H SER 18 H SER 18 9.758 6.164 -0.349 144 HA SER 18 HA SER 18 10.012 6.981 -3.299 145 HB2 SER 18 HB2 SER 18 11.776 8.266 -1.768 146 HB3 SER 18 HB3 SER 18 12.430 6.691 -1.365 147 HG SER 18 HG SER 18 12.730 6.313 -3.603 148 H GLU 19 H GLU 19 12.199 4.719 -1.674 149 HA GLU 19 HA GLU 19 10.525 2.322 -2.324 150 HB2 GLU 19 HB3 GLU 19 11.570 2.898 -4.516 151 HB3 GLU 19 HB2 GLU 19 13.178 2.931 -3.799 152 HG2 GLU 19 HG3 GLU 19 13.027 0.502 -3.261 153 HG3 GLU 19 HG2 GLU 19 11.359 0.451 -3.839 154 HE2 GLU 19 HE2 GLU 19 14.511 0.479 -6.390 155 H LEU 20 H LEU 20 10.660 2.058 0.013 156 HA LEU 20 HA LEU 20 13.430 1.635 1.188 157 HB2 LEU 20 HB2 LEU 20 11.468 2.824 2.541 158 HB3 LEU 20 HB3 LEU 20 10.767 1.227 2.660 159 HG LEU 20 HG LEU 20 12.898 0.405 3.816 160 HD11 LEU 20 HD11 LEU 20 14.431 2.119 4.838 161 HD12 LEU 20 HD12 LEU 20 13.623 3.413 3.919 162 HD13 LEU 20 HD13 LEU 20 14.543 2.146 3.073 163 HD21 LEU 20 HD21 LEU 20 10.827 1.021 5.086 164 HD22 LEU 20 HD22 LEU 20 11.398 2.702 5.224 165 HD23 LEU 20 HD23 LEU 20 12.296 1.383 6.012 166 H ILE 21 H ILE 21 10.856 -0.638 2.020 167 HA ILE 21 HA ILE 21 12.376 -2.869 0.568 168 HB ILE 21 HB ILE 21 11.532 -3.092 3.513 169 HG12 ILE 21 HG12 ILE 21 14.406 -3.152 2.379 170 HG13 ILE 21 HG11 ILE 21 13.688 -1.736 3.117 171 HG21 ILE 21 HG21 ILE 21 12.940 -5.184 1.708 172 HG22 ILE 21 HG22 ILE 21 12.556 -5.389 3.434 173 HG23 ILE 21 HG23 ILE 21 11.252 -5.271 2.257 174 HD11 ILE 21 HD11 ILE 21 14.229 -4.361 4.614 175 HD12 ILE 21 HD12 ILE 21 13.381 -2.950 5.305 176 HD13 ILE 21 HD13 ILE 21 15.077 -2.811 4.785 Start of MODEL 12 1 H1 TYR 1 H TYR 1 -19.258 -3.027 3.001 2 HA TYR 1 HA TYR 1 -18.070 -0.723 1.381 3 HB2 TYR 1 HB3 TYR 1 -16.976 -1.593 4.135 4 HB3 TYR 1 HB2 TYR 1 -16.094 -0.605 2.978 5 HD1 TYR 1 HD3 TYR 1 -16.984 1.716 2.326 6 HD2 TYR 1 HD2 TYR 1 -18.675 -0.540 5.578 7 HE1 TYR 1 HE3 TYR 1 -18.009 3.761 3.222 8 HE2 TYR 1 HE2 TYR 1 -19.695 1.512 6.461 9 HH TYR 1 HH TYR 1 -19.262 4.651 4.824 10 H ASP 2 H ASP 2 -17.276 -1.757 -0.283 11 HA ASP 2 HA ASP 2 -15.321 -4.048 0.086 12 HB2 ASP 2 HB2 ASP 2 -17.610 -5.106 -0.275 13 HB3 ASP 2 HB3 ASP 2 -17.730 -4.308 -1.833 14 HD2 ASP 2 HD2 ASP 2 -15.336 -7.525 -1.225 15 H ASN 3 H ASN 3 -13.550 -3.131 -0.792 16 HA ASN 3 HA ASN 3 -13.363 -2.393 -3.514 17 HB2 ASN 3 HB2 ASN 3 -12.760 -0.081 -3.548 18 HB3 ASN 3 HB3 ASN 3 -14.400 -0.249 -2.984 19 HD21 ASN 3 HD22 ASN 3 -11.636 1.456 -2.466 20 HD22 ASN 3 HD21 ASN 3 -11.979 2.019 -0.754 21 H ILE 4 H ILE 4 -11.587 -3.384 -3.786 22 HA ILE 4 HA ILE 4 -9.568 -4.114 -1.997 23 HB ILE 4 HB ILE 4 -9.995 -5.092 -4.242 24 HG12 ILE 4 HG11 ILE 4 -7.687 -5.822 -4.810 25 HG13 ILE 4 HG12 ILE 4 -7.005 -4.621 -3.733 26 HG21 ILE 4 HG21 ILE 4 -8.860 -4.276 -6.271 27 HG22 ILE 4 HG22 ILE 4 -8.178 -2.884 -5.386 28 HG23 ILE 4 HG23 ILE 4 -9.936 -3.012 -5.639 29 HD11 ILE 4 HD11 ILE 4 -8.852 -6.953 -2.858 30 HD12 ILE 4 HD12 ILE 4 -7.079 -6.920 -2.712 31 HD13 ILE 4 HD13 ILE 4 -8.063 -5.794 -1.754 32 H LEU 5 H LEU 5 -9.715 -0.934 -3.224 33 HA LEU 5 HA LEU 5 -6.929 -0.163 -3.080 34 HB2 LEU 5 HB3 LEU 5 -9.488 1.570 -2.941 35 HB3 LEU 5 HB2 LEU 5 -7.898 2.262 -3.084 36 HG LEU 5 HG LEU 5 -9.138 0.394 -5.194 37 HD11 LEU 5 HD11 LEU 5 -9.488 2.459 -6.546 38 HD12 LEU 5 HD12 LEU 5 -8.873 3.470 -5.214 39 HD13 LEU 5 HD13 LEU 5 -10.385 2.549 -5.019 40 HD21 LEU 5 HD21 LEU 5 -6.557 2.098 -5.340 41 HD22 LEU 5 HD22 LEU 5 -7.287 1.203 -6.696 42 HD23 LEU 5 HD23 LEU 5 -6.637 0.319 -5.308 43 H VAL 6 H VAL 6 -9.221 -0.452 -0.421 44 HA VAL 6 HA VAL 6 -7.917 1.460 1.384 45 HB VAL 6 HB VAL 6 -9.559 -0.966 2.346 46 HG11 VAL 6 HG21 VAL 6 -9.985 0.433 4.364 47 HG12 VAL 6 HG22 VAL 6 -8.246 0.163 4.173 48 HG13 VAL 6 HG23 VAL 6 -8.950 1.733 3.720 49 HG21 VAL 6 HG11 VAL 6 -11.517 0.536 2.441 50 HG22 VAL 6 HG12 VAL 6 -10.598 1.800 1.561 51 HG23 VAL 6 HG13 VAL 6 -10.970 0.235 0.787 52 H LYS 7 H LYS 7 -7.499 -2.063 1.072 53 HA LYS 7 HA LYS 7 -5.130 -2.074 2.873 54 HB2 LYS 7 HB3 LYS 7 -4.805 -4.407 2.455 55 HB3 LYS 7 HB2 LYS 7 -6.472 -4.077 2.859 56 HG2 LYS 7 HG3 LYS 7 -7.148 -4.313 0.469 57 HG3 LYS 7 HG2 LYS 7 -5.489 -4.590 -0.034 58 HD2 LYS 7 HD2 LYS 7 -7.039 -6.407 1.927 59 HD3 LYS 7 HD3 LYS 7 -6.953 -6.661 0.190 60 HE2 LYS 7 HE2 LYS 7 -4.425 -6.898 0.321 61 HE3 LYS 7 HE3 LYS 7 -4.500 -6.691 2.076 62 HZ2 LYS 7 HZ2 LYS 7 -5.866 -8.843 0.560 63 HZ3 LYS 7 HZ3 LYS 7 -5.936 -8.649 2.181 64 H MET 8 H MET 8 -5.419 -1.975 -0.695 65 HA MET 8 HA MET 8 -2.547 -2.314 -1.146 66 HB2 MET 8 HB3 MET 8 -4.570 -1.310 -3.106 67 HB3 MET 8 HB2 MET 8 -2.907 -1.701 -3.467 68 HG2 MET 8 HG3 MET 8 -5.200 -3.633 -2.904 69 HG3 MET 8 HG2 MET 8 -3.983 -3.609 -4.181 70 HE1 MET 8 HE1 MET 8 -3.823 -6.286 -3.790 71 HE2 MET 8 HE2 MET 8 -3.296 -7.017 -2.244 72 HE3 MET 8 HE3 MET 8 -4.895 -6.224 -2.354 73 H PHE 9 H PHE 9 -4.293 0.539 -0.191 74 HA PHE 9 HA PHE 9 -2.417 2.505 -1.396 75 HB2 PHE 9 HB3 PHE 9 -4.790 3.077 -0.865 76 HB3 PHE 9 HB2 PHE 9 -4.503 2.846 0.840 77 HD1 PHE 9 HD1 PHE 9 -3.646 4.995 -2.125 78 HD2 PHE 9 HD2 PHE 9 -3.436 4.644 2.161 79 HE1 PHE 9 HE1 PHE 9 -2.983 7.359 -1.952 80 HE2 PHE 9 HE2 PHE 9 -2.773 7.008 2.312 81 HZ PHE 9 HZ PHE 9 -2.545 8.369 0.261 82 H LYS 10 H LYS 10 -2.931 1.424 1.948 83 HA LYS 10 HA LYS 10 -0.355 2.508 2.888 84 HB2 LYS 10 HB2 LYS 10 -2.106 0.328 4.300 85 HB3 LYS 10 HB3 LYS 10 -0.771 1.089 5.097 86 HG2 LYS 10 HG3 LYS 10 -1.881 3.333 5.026 87 HG3 LYS 10 HG2 LYS 10 -3.223 2.671 4.090 88 HD2 LYS 10 HD3 LYS 10 -3.786 1.106 5.985 89 HD3 LYS 10 HD2 LYS 10 -2.432 1.747 6.924 90 HE2 LYS 10 HE2 LYS 10 -3.501 4.057 6.889 91 HE3 LYS 10 HE3 LYS 10 -4.855 3.416 5.946 92 HZ2 LYS 10 HZ2 LYS 10 -5.341 3.511 8.299 93 HZ3 LYS 10 HZ3 LYS 10 -4.074 2.548 8.675 94 H THR 11 H THR 11 -1.082 -0.768 1.696 95 HA THR 11 HA THR 11 1.399 -1.975 2.580 96 HB THR 11 HB THR 11 -0.456 -2.797 0.277 97 HG1 THR 11 HG1 THR 11 -0.192 -3.679 2.959 98 HG21 THR 11 HG21 THR 11 1.745 -3.971 0.011 99 HG22 THR 11 HG22 THR 11 1.696 -4.480 1.721 100 HG23 THR 11 HG23 THR 11 0.485 -5.097 0.565 101 H ASN 12 H ASN 12 0.504 -0.703 -0.625 102 HA ASN 12 HA ASN 12 3.125 -0.836 -1.803 103 HB2 ASN 12 HB3 ASN 12 0.849 -0.617 -3.016 104 HB3 ASN 12 HB2 ASN 12 0.792 1.068 -2.583 105 HD21 ASN 12 HD22 ASN 12 1.911 2.490 -3.939 106 HD22 ASN 12 HD21 ASN 12 2.918 1.941 -5.372 107 H GLU 13 H GLU 13 1.624 1.928 0.004 108 HA GLU 13 HA GLU 13 3.697 3.851 -0.592 109 HB2 GLU 13 HB3 GLU 13 1.403 4.475 0.154 110 HB3 GLU 13 HB2 GLU 13 1.704 3.783 1.737 111 HG2 GLU 13 HG3 GLU 13 1.874 6.195 1.882 112 HG3 GLU 13 HG2 GLU 13 3.464 5.529 2.191 113 HE2 GLU 13 HE2 GLU 13 4.988 7.044 -0.507 114 H ASN 14 H ASN 14 3.193 1.914 2.353 115 HA ASN 14 HA ASN 14 5.618 2.630 3.703 116 HB2 ASN 14 HB3 ASN 14 3.597 1.513 4.743 117 HB3 ASN 14 HB2 ASN 14 4.056 -0.007 4.010 118 HD21 ASN 14 HD22 ASN 14 5.552 -1.250 5.153 119 HD22 ASN 14 HD21 ASN 14 6.367 -0.692 6.699 120 H ASN 15 H ASN 15 5.098 -0.157 1.558 121 HA ASN 15 HA ASN 15 7.746 -1.293 1.796 122 HB2 ASN 15 HB3 ASN 15 5.594 -2.473 0.930 123 HB3 ASN 15 HB2 ASN 15 5.765 -1.610 -0.572 124 HD21 ASN 15 HD21 ASN 15 7.189 -4.098 1.489 125 HD22 ASN 15 HD22 ASN 15 8.186 -4.870 0.156 126 H ASP 16 H ASP 16 6.645 1.336 -0.272 127 HA ASP 16 HA ASP 16 9.287 1.414 -1.672 128 HB2 ASP 16 HB2 ASP 16 7.364 0.772 -3.257 129 HB3 ASP 16 HB3 ASP 16 6.674 2.360 -2.976 130 HD2 ASP 16 HD2 ASP 16 9.300 0.580 -4.140 131 H LYS 17 H LYS 17 9.137 2.418 0.725 132 HA LYS 17 HA LYS 17 9.607 5.318 0.273 133 HB2 LYS 17 HB2 LYS 17 7.375 5.186 1.198 134 HB3 LYS 17 HB3 LYS 17 7.858 4.125 2.510 135 HG2 LYS 17 HG3 LYS 17 8.918 7.016 2.224 136 HG3 LYS 17 HG2 LYS 17 7.372 6.633 2.971 137 HD2 LYS 17 HD2 LYS 17 8.580 5.055 4.593 138 HD3 LYS 17 HD3 LYS 17 10.112 5.638 3.948 139 HE2 LYS 17 HE2 LYS 17 9.519 8.016 4.625 140 HE3 LYS 17 HE3 LYS 17 7.982 7.440 5.288 141 HZ2 LYS 17 HZ2 LYS 17 9.684 7.655 6.973 142 HZ3 LYS 17 HZ3 LYS 17 10.683 6.616 6.201 143 H SER 18 H SER 18 9.983 2.748 2.693 144 HA SER 18 HA SER 18 12.615 3.855 3.630 145 HB2 SER 18 HB2 SER 18 10.988 2.500 5.246 146 HB3 SER 18 HB3 SER 18 11.466 1.065 4.350 147 HG SER 18 HG SER 18 13.211 2.871 5.670 148 H GLU 19 H GLU 19 11.806 0.825 1.892 149 HA GLU 19 HA GLU 19 14.561 0.895 0.601 150 HB2 GLU 19 HB3 GLU 19 14.602 -0.799 2.429 151 HB3 GLU 19 HB2 GLU 19 13.169 -1.603 1.789 152 HG2 GLU 19 HG3 GLU 19 14.392 -2.181 -0.315 153 HG3 GLU 19 HG2 GLU 19 15.820 -1.307 0.242 154 HE2 GLU 19 HE2 GLU 19 16.893 -3.772 2.433 155 H LEU 20 H LEU 20 13.433 1.974 -1.050 156 HA LEU 20 HA LEU 20 11.198 1.089 -2.510 157 HB2 LEU 20 HB3 LEU 20 13.573 2.695 -3.672 158 HB3 LEU 20 HB2 LEU 20 12.024 2.418 -4.403 159 HG LEU 20 HG LEU 20 10.901 3.566 -2.385 160 HD11 LEU 20 HD21 LEU 20 12.777 3.692 -0.743 161 HD12 LEU 20 HD22 LEU 20 13.782 4.595 -1.902 162 HD13 LEU 20 HD23 LEU 20 12.309 5.324 -1.216 163 HD21 LEU 20 HD11 LEU 20 12.665 5.249 -4.276 164 HD22 LEU 20 HD12 LEU 20 11.059 4.585 -4.659 165 HD23 LEU 20 HD13 LEU 20 11.222 5.819 -3.399 166 H ILE 21 H ILE 21 14.559 0.376 -3.414 167 HA ILE 21 HA ILE 21 13.571 -1.841 -5.306 168 HB ILE 21 HB ILE 21 16.340 -0.523 -5.346 169 HG12 ILE 21 HG11 ILE 21 14.079 -0.265 -7.439 170 HG13 ILE 21 HG12 ILE 21 14.399 0.949 -6.218 171 HG21 ILE 21 HG21 ILE 21 16.726 -1.864 -7.430 172 HG22 ILE 21 HG22 ILE 21 15.130 -2.634 -7.260 173 HG23 ILE 21 HG23 ILE 21 16.414 -2.937 -6.067 174 HD11 ILE 21 HD11 ILE 21 15.444 1.675 -8.288 175 HD12 ILE 21 HD12 ILE 21 16.376 0.172 -8.441 176 HD13 ILE 21 HD13 ILE 21 16.733 1.314 -7.116 Start of MODEL 13 1 H1 TYR 1 H TYR 1 -18.685 -5.248 2.681 2 HA TYR 1 HA TYR 1 -17.811 -2.324 2.291 3 HB2 TYR 1 HB3 TYR 1 -16.464 -4.380 4.156 4 HB3 TYR 1 HB2 TYR 1 -15.725 -2.872 3.633 5 HD1 TYR 1 HD2 TYR 1 -16.706 -0.632 4.343 6 HD2 TYR 1 HD3 TYR 1 -18.173 -4.344 5.955 7 HE1 TYR 1 HE2 TYR 1 -17.770 0.583 6.194 8 HE2 TYR 1 HE3 TYR 1 -19.233 -3.115 7.799 9 HH TYR 1 HH TYR 1 -19.610 -1.132 8.722 10 H ASP 2 H ASP 2 -17.138 -2.298 0.286 11 HA ASP 2 HA ASP 2 -15.024 -4.261 -0.663 12 HB2 ASP 2 HB2 ASP 2 -17.276 -5.192 -1.405 13 HB3 ASP 2 HB3 ASP 2 -17.575 -3.729 -2.326 14 HD2 ASP 2 HD2 ASP 2 -14.974 -6.580 -3.571 15 H ASN 3 H ASN 3 -13.394 -2.862 -1.000 16 HA ASN 3 HA ASN 3 -13.521 -0.785 -2.973 17 HB2 ASN 3 HB2 ASN 3 -14.540 0.567 -1.068 18 HB3 ASN 3 HB3 ASN 3 -13.132 0.256 -0.083 19 HD21 ASN 3 HD21 ASN 3 -14.241 1.862 -3.056 20 HD22 ASN 3 HD22 ASN 3 -12.883 3.095 -3.086 21 H ILE 4 H ILE 4 -11.797 -1.668 -3.888 22 HA ILE 4 HA ILE 4 -9.609 -2.975 -2.628 23 HB ILE 4 HB ILE 4 -10.335 -3.302 -4.954 24 HG12 ILE 4 HG11 ILE 4 -7.305 -2.830 -4.808 25 HG13 ILE 4 HG12 ILE 4 -8.119 -4.152 -3.988 26 HG21 ILE 4 HG21 ILE 4 -10.469 -0.899 -5.710 27 HG22 ILE 4 HG22 ILE 4 -9.517 -1.903 -6.819 28 HG23 ILE 4 HG23 ILE 4 -8.692 -0.796 -5.688 29 HD11 ILE 4 HD11 ILE 4 -8.081 -3.749 -7.045 30 HD12 ILE 4 HD12 ILE 4 -8.973 -5.042 -6.200 31 HD13 ILE 4 HD13 ILE 4 -7.198 -4.972 -6.108 32 H LEU 5 H LEU 5 -9.957 0.415 -2.854 33 HA LEU 5 HA LEU 5 -7.096 1.100 -2.801 34 HB2 LEU 5 HB3 LEU 5 -8.924 2.560 -3.913 35 HB3 LEU 5 HB2 LEU 5 -9.532 2.943 -2.325 36 HG LEU 5 HG LEU 5 -7.355 4.096 -1.758 37 HD11 LEU 5 HD21 LEU 5 -6.566 3.553 -4.701 38 HD12 LEU 5 HD22 LEU 5 -5.711 4.643 -3.580 39 HD13 LEU 5 HD23 LEU 5 -5.745 2.904 -3.260 40 HD21 LEU 5 HD11 LEU 5 -8.725 5.123 -4.324 41 HD22 LEU 5 HD12 LEU 5 -7.755 6.094 -3.187 42 HD23 LEU 5 HD13 LEU 5 -9.292 5.386 -2.656 43 H VAL 6 H VAL 6 -9.423 0.495 -0.220 44 HA VAL 6 HA VAL 6 -8.014 1.993 1.873 45 HB VAL 6 HB VAL 6 -9.797 -0.464 2.418 46 HG11 VAL 6 HG21 VAL 6 -8.429 0.245 4.406 47 HG12 VAL 6 HG22 VAL 6 -10.147 0.590 4.650 48 HG13 VAL 6 HG23 VAL 6 -9.027 1.912 4.236 49 HG21 VAL 6 HG11 VAL 6 -11.659 1.115 2.786 50 HG22 VAL 6 HG12 VAL 6 -11.124 1.083 1.101 51 HG23 VAL 6 HG13 VAL 6 -10.658 2.457 2.139 52 H LYS 7 H LYS 7 -7.782 -1.431 0.970 53 HA LYS 7 HA LYS 7 -5.391 -1.854 2.713 54 HB2 LYS 7 HB3 LYS 7 -5.272 -4.154 1.951 55 HB3 LYS 7 HB2 LYS 7 -6.855 -3.724 2.557 56 HG2 LYS 7 HG2 LYS 7 -7.750 -3.566 0.225 57 HG3 LYS 7 HG3 LYS 7 -6.162 -3.957 -0.444 58 HD2 LYS 7 HD2 LYS 7 -6.213 -6.193 0.726 59 HD3 LYS 7 HD3 LYS 7 -7.793 -5.802 1.417 60 HE2 LYS 7 HE2 LYS 7 -8.778 -5.628 -0.922 61 HE3 LYS 7 HE3 LYS 7 -7.199 -6.018 -1.617 62 HZ2 LYS 7 HZ2 LYS 7 -8.565 -7.961 -1.465 63 HZ3 LYS 7 HZ3 LYS 7 -7.267 -8.145 -0.489 64 H MET 8 H MET 8 -5.742 -1.482 -0.840 65 HA MET 8 HA MET 8 -2.901 -1.933 -1.344 66 HB2 MET 8 HB2 MET 8 -4.894 -0.779 -3.252 67 HB3 MET 8 HB3 MET 8 -3.260 -1.242 -3.645 68 HG2 MET 8 HG3 MET 8 -5.632 -3.083 -3.103 69 HG3 MET 8 HG2 MET 8 -4.435 -3.063 -4.399 70 HE1 MET 8 HE1 MET 8 -5.322 -5.753 -2.978 71 HE2 MET 8 HE2 MET 8 -4.077 -5.708 -4.264 72 HE3 MET 8 HE3 MET 8 -3.748 -6.564 -2.729 73 H PHE 9 H PHE 9 -4.470 1.024 -0.329 74 HA PHE 9 HA PHE 9 -2.469 2.849 -1.554 75 HB2 PHE 9 HB2 PHE 9 -4.766 3.633 -0.976 76 HB3 PHE 9 HB3 PHE 9 -4.458 3.391 0.725 77 HD1 PHE 9 HD1 PHE 9 -3.534 5.440 -2.281 78 HD2 PHE 9 HD2 PHE 9 -3.114 5.066 1.987 79 HE1 PHE 9 HE1 PHE 9 -2.614 7.720 -2.160 80 HE2 PHE 9 HE2 PHE 9 -2.195 7.345 2.086 81 HZ PHE 9 HZ PHE 9 -1.944 8.676 0.019 82 H LYS 10 H LYS 10 -3.000 1.837 1.817 83 HA LYS 10 HA LYS 10 -0.325 2.711 2.671 84 HB2 LYS 10 HB3 LYS 10 -2.185 0.661 4.137 85 HB3 LYS 10 HB2 LYS 10 -0.770 1.315 4.892 86 HG2 LYS 10 HG2 LYS 10 -1.720 3.637 4.856 87 HG3 LYS 10 HG3 LYS 10 -3.137 3.073 3.968 88 HD2 LYS 10 HD3 LYS 10 -3.737 1.541 5.870 89 HD3 LYS 10 HD2 LYS 10 -2.333 2.074 6.782 90 HE2 LYS 10 HE2 LYS 10 -4.654 3.927 5.882 91 HE3 LYS 10 HE3 LYS 10 -4.552 3.143 7.456 92 HZ2 LYS 10 HZ2 LYS 10 -2.554 5.069 6.415 93 HZ3 LYS 10 HZ3 LYS 10 -2.480 4.332 7.872 94 H THR 11 H THR 11 -1.289 -0.506 1.486 95 HA THR 11 HA THR 11 1.122 -1.870 2.334 96 HB THR 11 HB THR 11 -0.810 -2.559 0.053 97 HG1 THR 11 HG1 THR 11 -0.548 -3.481 2.722 98 HG21 THR 11 HG21 THR 11 1.268 -4.378 1.439 99 HG22 THR 11 HG22 THR 11 -0.001 -4.913 0.304 100 HG23 THR 11 HG23 THR 11 1.310 -3.858 -0.268 101 H ASN 12 H ASN 12 0.281 -0.562 -0.871 102 HA ASN 12 HA ASN 12 2.920 -0.801 -2.005 103 HB2 ASN 12 HB2 ASN 12 0.663 -0.582 -3.262 104 HB3 ASN 12 HB3 ASN 12 0.640 1.119 -2.894 105 HD21 ASN 12 HD22 ASN 12 1.797 2.460 -4.295 106 HD22 ASN 12 HD21 ASN 12 2.821 1.835 -5.683 107 H GLU 13 H GLU 13 1.442 2.077 -0.355 108 HA GLU 13 HA GLU 13 3.576 3.905 -1.043 109 HB2 GLU 13 HB2 GLU 13 1.245 4.573 -0.461 110 HB3 GLU 13 HB3 GLU 13 1.513 4.107 1.218 111 HG2 GLU 13 HG2 GLU 13 3.275 5.906 1.431 112 HG3 GLU 13 HG3 GLU 13 3.104 6.304 -0.276 113 HE2 GLU 13 HE2 GLU 13 1.464 7.375 -0.930 114 H ASN 14 H ASN 14 2.953 2.189 2.016 115 HA ASN 14 HA ASN 14 5.354 3.058 3.369 116 HB2 ASN 14 HB2 ASN 14 3.705 0.540 3.956 117 HB3 ASN 14 HB3 ASN 14 4.983 1.146 4.991 118 HD21 ASN 14 HD22 ASN 14 2.287 0.750 5.753 119 HD22 ASN 14 HD21 ASN 14 1.658 2.385 6.301 120 H ASN 15 H ASN 15 4.816 0.025 1.589 121 HA ASN 15 HA ASN 15 7.438 -1.097 2.056 122 HB2 ASN 15 HB3 ASN 15 5.308 -2.367 1.271 123 HB3 ASN 15 HB2 ASN 15 5.550 -1.715 -0.325 124 HD21 ASN 15 HD22 ASN 15 6.887 -3.892 2.120 125 HD22 ASN 15 HD21 ASN 15 7.922 -4.847 0.945 126 H ASP 16 H ASP 16 6.414 1.186 -0.429 127 HA ASP 16 HA ASP 16 9.054 0.979 -1.841 128 HB2 ASP 16 HB2 ASP 16 6.933 0.577 -3.247 129 HB3 ASP 16 HB3 ASP 16 6.479 2.245 -2.952 130 HD2 ASP 16 HD2 ASP 16 8.767 0.131 -4.277 131 H LYS 17 H LYS 17 8.947 2.128 0.602 132 HA LYS 17 HA LYS 17 10.034 4.823 -0.011 133 HB2 LYS 17 HB3 LYS 17 7.571 4.526 1.332 134 HB3 LYS 17 HB2 LYS 17 8.658 4.636 2.679 135 HG2 LYS 17 HG3 LYS 17 7.909 6.847 2.251 136 HG3 LYS 17 HG2 LYS 17 9.572 6.836 1.671 137 HD2 LYS 17 HD3 LYS 17 8.743 6.521 -0.701 138 HD3 LYS 17 HD2 LYS 17 7.082 6.423 -0.122 139 HE2 LYS 17 HE2 LYS 17 7.246 8.817 0.750 140 HE3 LYS 17 HE3 LYS 17 8.919 8.909 0.177 141 HZ2 LYS 17 HZ2 LYS 17 6.553 8.411 -1.547 142 HZ3 LYS 17 HZ3 LYS 17 8.097 8.498 -2.076 143 H SER 18 H SER 18 9.766 2.678 2.792 144 HA SER 18 HA SER 18 12.590 3.216 3.630 145 HB2 SER 18 HB3 SER 18 10.680 2.591 5.379 146 HB3 SER 18 HB2 SER 18 10.774 0.956 4.740 147 HG SER 18 HG SER 18 12.924 2.456 5.827 148 H GLU 19 H GLU 19 11.051 0.294 2.258 149 HA GLU 19 HA GLU 19 13.822 -0.817 1.584 150 HB2 GLU 19 HB3 GLU 19 12.301 -2.227 3.097 151 HB3 GLU 19 HB2 GLU 19 11.155 -2.368 1.768 152 HG2 GLU 19 HG2 GLU 19 12.382 -4.337 1.753 153 HG3 GLU 19 HG3 GLU 19 12.928 -3.435 0.344 154 HE2 GLU 19 HE2 GLU 19 16.224 -3.245 1.359 155 H LEU 20 H LEU 20 13.734 0.884 0.003 156 HA LEU 20 HA LEU 20 12.107 0.270 -2.557 157 HB2 LEU 20 HB2 LEU 20 12.042 2.644 -1.245 158 HB3 LEU 20 HB3 LEU 20 13.567 2.921 -2.047 159 HG LEU 20 HG LEU 20 10.852 2.290 -3.349 160 HD11 LEU 20 HD21 LEU 20 10.830 4.678 -4.045 161 HD12 LEU 20 HD22 LEU 20 10.998 4.565 -2.284 162 HD13 LEU 20 HD23 LEU 20 12.417 4.952 -3.282 163 HD21 LEU 20 HD11 LEU 20 11.833 2.931 -5.571 164 HD22 LEU 20 HD12 LEU 20 13.454 3.038 -4.838 165 HD23 LEU 20 HD13 LEU 20 12.601 1.475 -4.924 166 H ILE 21 H ILE 21 14.025 -1.595 -2.458 167 HA ILE 21 HA ILE 21 15.869 -0.767 -4.650 168 HB ILE 21 HB ILE 21 17.195 -0.171 -2.675 169 HG12 ILE 21 HG12 ILE 21 18.447 -2.601 -4.080 170 HG13 ILE 21 HG11 ILE 21 18.209 -1.043 -4.853 171 HG21 ILE 21 HG21 ILE 21 16.349 -1.829 -0.974 172 HG22 ILE 21 HG22 ILE 21 18.114 -1.777 -1.043 173 HG23 ILE 21 HG23 ILE 21 17.244 -3.131 -1.796 174 HD11 ILE 21 HD11 ILE 21 20.524 -1.188 -4.068 175 HD12 ILE 21 HD12 ILE 21 20.013 -1.514 -2.399 176 HD13 ILE 21 HD13 ILE 21 19.693 0.079 -3.135
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