NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
628549 | 5xok | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 2.312 -1.018 -1.511 3 HA3 GLY 1 3HA GLY 1 1.450 0.426 -2.022 4 H SER 2 H SER 2 3.939 -0.248 0.442 5 HA SER 2 HA SER 2 5.703 1.670 -0.900 6 HB2 SER 2 2HB SER 2 4.320 2.652 1.095 7 HB3 SER 2 3HB SER 2 5.468 1.757 2.090 8 HG SER 2 HG SER 2 5.927 4.070 1.370 9 H LYS 3 H LYS 3 5.390 -0.691 1.734 10 HA LYS 3 HA LYS 3 8.177 -1.504 1.224 11 HB2 LYS 3 2HB LYS 3 7.256 -0.575 3.571 12 HB3 LYS 3 3HB LYS 3 6.863 -2.278 3.770 13 HG2 LYS 3 2HG LYS 3 9.380 -2.536 2.936 14 HG3 LYS 3 3HG LYS 3 9.493 -0.933 3.667 15 HD2 LYS 3 2HD LYS 3 8.995 -1.719 5.783 16 HD3 LYS 3 3HD LYS 3 8.169 -3.153 5.168 17 HE2 LYS 3 2HE LYS 3 11.107 -2.776 4.726 18 HE3 LYS 3 3HE LYS 3 10.506 -3.403 6.260 19 HZ1 LYS 3 1HZ LYS 3 9.713 -4.603 3.677 20 HZ2 LYS 3 2HZ LYS 3 9.620 -5.280 5.224 21 HZ3 LYS 3 3HZ LYS 3 11.125 -5.079 4.478 22 H LYS 4 H LYS 4 8.663 -3.705 1.123 23 HA LYS 4 HA LYS 4 6.328 -5.466 0.761 24 HB2 LYS 4 2HB LYS 4 7.824 -6.778 -0.778 25 HB3 LYS 4 3HB LYS 4 7.393 -5.173 -1.354 26 HG2 LYS 4 2HG LYS 4 9.525 -4.605 -1.520 27 HG3 LYS 4 3HG LYS 4 9.819 -5.040 0.165 28 HD2 LYS 4 2HD LYS 4 9.686 -7.493 -0.961 29 HD3 LYS 4 3HD LYS 4 10.340 -6.558 -2.308 30 HE2 LYS 4 2HE LYS 4 11.960 -5.620 -0.483 31 HE3 LYS 4 3HE LYS 4 11.512 -7.085 0.389 32 HZ1 LYS 4 1HZ LYS 4 12.175 -7.614 -2.338 33 HZ2 LYS 4 2HZ LYS 4 12.790 -8.314 -0.927 34 HZ3 LYS 4 3HZ LYS 4 13.454 -6.874 -1.516 35 HA PRO 5 HA PRO 5 8.702 -7.139 4.354 36 HB2 PRO 5 2HB PRO 5 6.492 -7.845 5.763 37 HB3 PRO 5 3HB PRO 5 7.191 -6.223 5.822 38 HG2 PRO 5 2HG PRO 5 4.852 -7.222 4.243 39 HG3 PRO 5 3HG PRO 5 5.026 -5.707 5.149 40 HD2 PRO 5 2HD PRO 5 5.309 -5.836 2.459 41 HD3 PRO 5 3HD PRO 5 6.219 -4.687 3.462 42 H VAL 6 H VAL 6 6.542 -8.334 2.022 43 HA VAL 6 HA VAL 6 7.526 -11.036 2.427 44 HB VAL 6 HB VAL 6 4.900 -10.285 3.280 45 HG11 VAL 6 1HG1 VAL 6 3.564 -11.927 2.062 46 HG12 VAL 6 2HG1 VAL 6 4.213 -10.700 0.971 47 HG13 VAL 6 3HG1 VAL 6 4.950 -12.302 1.037 48 HG21 VAL 6 1HG2 VAL 6 5.703 -11.841 4.678 49 HG22 VAL 6 2HG2 VAL 6 5.056 -13.003 3.520 50 HG23 VAL 6 3HG2 VAL 6 6.756 -12.540 3.447 51 HA PRO 7 HA PRO 7 7.468 -11.105 -1.965 52 HB2 PRO 7 2HB PRO 7 7.204 -13.768 -2.424 53 HB3 PRO 7 3HB PRO 7 8.698 -13.041 -1.823 54 HG2 PRO 7 2HG PRO 7 6.538 -14.457 -0.310 55 HG3 PRO 7 3HG PRO 7 8.298 -14.596 -0.140 56 HD2 PRO 7 2HD PRO 7 6.784 -13.110 1.544 57 HD3 PRO 7 3HD PRO 7 8.453 -12.674 1.124 58 H ILE 8 H ILE 8 5.085 -13.449 -0.701 59 HA ILE 8 HA ILE 8 3.334 -13.157 -2.917 60 HB ILE 8 HB ILE 8 1.691 -14.386 -1.507 61 HG12 ILE 8 2HG1 ILE 8 3.058 -15.347 0.626 62 HG13 ILE 8 3HG1 ILE 8 3.697 -13.708 0.560 63 HG21 ILE 8 1HG2 ILE 8 4.161 -15.272 -2.547 64 HG22 ILE 8 2HG2 ILE 8 3.886 -16.144 -1.040 65 HG23 ILE 8 3HG2 ILE 8 2.677 -16.198 -2.323 66 HD11 ILE 8 1HD1 ILE 8 0.934 -13.445 0.265 67 HD12 ILE 8 2HD1 ILE 8 1.173 -14.642 1.539 68 HD13 ILE 8 3HD1 ILE 8 1.911 -13.047 1.678 69 H ILE 9 H ILE 9 1.833 -11.671 -3.317 70 HA ILE 9 HA ILE 9 1.275 -9.658 -1.274 71 HB ILE 9 HB ILE 9 0.686 -8.192 -2.948 72 HG12 ILE 9 2HG1 ILE 9 0.343 -10.201 -5.117 73 HG13 ILE 9 3HG1 ILE 9 -0.916 -10.116 -3.890 74 HG21 ILE 9 1HG2 ILE 9 2.482 -10.013 -4.532 75 HG22 ILE 9 2HG2 ILE 9 2.379 -8.254 -4.600 76 HG23 ILE 9 3HG2 ILE 9 3.053 -9.042 -3.174 77 HD11 ILE 9 1HD1 ILE 9 -1.792 -8.566 -5.240 78 HD12 ILE 9 2HD1 ILE 9 -0.600 -7.496 -4.501 79 HD13 ILE 9 3HD1 ILE 9 -0.257 -8.260 -6.053 80 H ALA 10 H ALA 10 -1.067 -8.732 -1.474 81 HA ALA 10 HA ALA 10 -3.056 -10.838 -1.834 82 HB1 ALA 10 1HB ALA 10 -3.628 -11.095 0.314 83 HB2 ALA 10 2HB ALA 10 -2.044 -10.404 0.667 84 HB3 ALA 10 3HB ALA 10 -3.474 -9.372 0.659 85 H CYS 11 H CYS 11 -4.863 -10.075 -2.734 86 HA CYS 11 HA CYS 11 -5.140 -7.181 -3.030 87 HB2 CYS 11 2HB CYS 11 -6.587 -9.453 -4.409 88 HB3 CYS 11 3HB CYS 11 -6.804 -7.743 -4.771 89 H ASN 12 H ASN 12 -6.522 -6.057 -1.839 90 HA ASN 12 HA ASN 12 -8.368 -7.417 -0.082 91 HB2 ASN 12 2HB ASN 12 -8.600 -5.376 1.043 92 HB3 ASN 12 3HB ASN 12 -6.936 -5.333 0.466 93 HD21 ASN 12 1HD2 ASN 12 -7.752 -4.845 -2.295 94 HD22 ASN 12 2HD2 ASN 12 -8.238 -3.189 -2.359 95 H ARG 13 H ARG 13 -10.636 -6.684 0.114 96 HA ARG 13 HA ARG 13 -11.844 -6.531 -2.534 97 HB2 ARG 13 2HB ARG 13 -13.971 -6.985 -1.265 98 HB3 ARG 13 3HB ARG 13 -12.752 -8.247 -1.152 99 HG2 ARG 13 2HG ARG 13 -12.431 -7.933 1.060 100 HG3 ARG 13 3HG ARG 13 -12.705 -6.192 0.964 101 HD2 ARG 13 2HD ARG 13 -15.120 -6.623 0.686 102 HD3 ARG 13 3HD ARG 13 -14.811 -8.349 0.877 103 HE ARG 13 HE ARG 13 -13.731 -7.122 3.101 104 HH11 ARG 13 1HH1 ARG 13 -16.871 -7.422 1.627 105 HH12 ARG 13 2HH1 ARG 13 -17.730 -7.307 3.128 106 HH21 ARG 13 1HH2 ARG 13 -14.850 -6.970 5.082 107 HH22 ARG 13 2HH2 ARG 13 -16.579 -7.050 5.092 108 H ARG 14 H ARG 14 -11.245 -4.293 -2.873 109 HA ARG 14 HA ARG 14 -13.141 -2.457 -1.573 110 HB2 ARG 14 2HB ARG 14 -10.191 -2.132 -1.979 111 HB3 ARG 14 3HB ARG 14 -11.229 -0.713 -2.000 112 HG2 ARG 14 2HG ARG 14 -11.228 -2.686 0.264 113 HG3 ARG 14 3HG ARG 14 -10.153 -1.289 0.207 114 HD2 ARG 14 2HD ARG 14 -11.801 -0.148 1.184 115 HD3 ARG 14 3HD ARG 14 -12.630 -0.221 -0.371 116 HE ARG 14 HE ARG 14 -13.244 -2.571 0.943 117 HH11 ARG 14 1HH1 ARG 14 -13.680 0.841 1.480 118 HH12 ARG 14 2HH1 ARG 14 -15.145 0.644 2.383 119 HH21 ARG 14 1HH2 ARG 14 -15.172 -2.843 2.130 120 HH22 ARG 14 2HH2 ARG 14 -15.993 -1.452 2.753 121 H THR 15 H THR 15 -10.687 -1.995 -4.095 122 HA THR 15 HA THR 15 -12.776 -1.707 -6.113 123 HB THR 15 HB THR 15 -12.543 0.559 -5.267 124 HG1 THR 15 HG1 THR 15 -11.495 1.428 -7.356 125 HG21 THR 15 1HG2 THR 15 -9.928 -0.096 -4.770 126 HG22 THR 15 2HG2 THR 15 -10.598 1.535 -4.708 127 HG23 THR 15 3HG2 THR 15 -9.790 0.968 -6.169 128 H GLY 16 H GLY 16 -10.137 -3.240 -5.309 129 HA2 GLY 16 2HA GLY 16 -9.063 -4.642 -6.962 130 HA3 GLY 16 3HA GLY 16 -9.108 -3.281 -8.072 131 H LYS 17 H LYS 17 -7.948 -3.729 -4.730 132 HA LYS 17 HA LYS 17 -5.309 -2.779 -5.622 133 HB2 LYS 17 2HB LYS 17 -7.033 -1.780 -3.411 134 HB3 LYS 17 3HB LYS 17 -5.299 -1.847 -3.122 135 HG2 LYS 17 2HG LYS 17 -4.996 -0.516 -5.226 136 HG3 LYS 17 3HG LYS 17 -6.748 -0.303 -5.258 137 HD2 LYS 17 2HD LYS 17 -6.710 1.219 -3.605 138 HD3 LYS 17 3HD LYS 17 -5.505 0.322 -2.678 139 HE2 LYS 17 2HE LYS 17 -4.535 1.565 -5.166 140 HE3 LYS 17 3HE LYS 17 -5.034 2.687 -3.902 141 HZ1 LYS 17 1HZ LYS 17 -2.701 1.055 -4.050 142 HZ2 LYS 17 2HZ LYS 17 -3.540 0.799 -2.604 143 HZ3 LYS 17 3HZ LYS 17 -3.036 2.358 -3.025 144 H CYS 18 H CYS 18 -3.513 -3.602 -4.496 145 HA CYS 18 HA CYS 18 -4.038 -5.770 -2.591 146 HB2 CYS 18 2HB CYS 18 -1.967 -6.151 -4.727 147 HB3 CYS 18 3HB CYS 18 -2.791 -7.362 -3.751 148 H GLN 19 H GLN 19 -1.757 -6.619 -1.802 149 HA GLN 19 HA GLN 19 0.346 -4.692 -1.696 150 HB2 GLN 19 2HB GLN 19 0.203 -4.077 0.628 151 HB3 GLN 19 3HB GLN 19 -1.315 -3.662 -0.157 152 HG2 GLN 19 2HG GLN 19 -1.459 -6.317 0.910 153 HG3 GLN 19 3HG GLN 19 -0.937 -5.186 2.158 154 HE21 GLN 19 1HE2 GLN 19 -3.472 -6.003 -0.094 155 HE22 GLN 19 2HE2 GLN 19 -4.710 -5.057 0.651 156 H ARG 20 H ARG 20 1.952 -5.366 0.140 157 HA ARG 20 HA ARG 20 2.396 -8.212 -0.214 158 HB2 ARG 20 2HB ARG 20 4.066 -5.975 0.922 159 HB3 ARG 20 3HB ARG 20 4.564 -7.659 1.021 160 HG2 ARG 20 2HG ARG 20 5.560 -7.314 -0.937 161 HG3 ARG 20 3HG ARG 20 3.940 -7.367 -1.635 162 HD2 ARG 20 2HD ARG 20 4.959 -4.796 -0.522 163 HD3 ARG 20 3HD ARG 20 5.546 -5.339 -2.093 164 HE ARG 20 HE ARG 20 2.973 -4.258 -1.506 165 HH11 ARG 20 1HH1 ARG 20 4.667 -6.499 -3.562 166 HH12 ARG 20 2HH1 ARG 20 3.517 -6.386 -4.853 167 HH21 ARG 20 1HH2 ARG 20 1.452 -4.101 -3.198 168 HH22 ARG 20 2HH2 ARG 20 1.689 -5.021 -4.645 169 H ALA 21 H ALA 21 2.091 -9.735 1.289 170 HA ALA 21 HA ALA 21 1.554 -10.756 3.251 171 HB1 ALA 21 1HB ALA 21 3.207 -8.491 4.033 172 HB2 ALA 21 2HB ALA 21 2.091 -9.001 5.300 173 HB3 ALA 21 3HB ALA 21 3.225 -10.159 4.606 174 H1 GLY 33 H GLY 33 -10.421 -20.150 5.963 175 HA2 GLY 33 2HA GLY 33 -11.500 -18.974 3.482 176 HA3 GLY 33 3HA GLY 33 -10.517 -20.428 3.555 177 H SER 34 H SER 34 -13.685 -19.122 3.704 178 HA SER 34 HA SER 34 -14.772 -21.843 3.851 179 HB2 SER 34 2HB SER 34 -16.450 -19.774 5.118 180 HB3 SER 34 3HB SER 34 -16.136 -21.436 5.618 181 HG SER 34 HG SER 34 -14.157 -19.437 5.844 182 H LYS 35 H LYS 35 -15.827 -18.462 3.408 183 HA LYS 35 HA LYS 35 -17.400 -19.357 1.084 184 HB2 LYS 35 2HB LYS 35 -17.836 -17.161 3.088 185 HB3 LYS 35 3HB LYS 35 -18.601 -17.097 1.506 186 HG2 LYS 35 2HG LYS 35 -20.206 -18.053 2.899 187 HG3 LYS 35 3HG LYS 35 -19.503 -19.422 2.034 188 HD2 LYS 35 2HD LYS 35 -18.242 -20.089 3.912 189 HD3 LYS 35 3HD LYS 35 -18.517 -18.554 4.740 190 HE2 LYS 35 2HE LYS 35 -20.842 -19.084 5.055 191 HE3 LYS 35 3HE LYS 35 -20.685 -20.541 4.075 192 HZ1 LYS 35 1HZ LYS 35 -19.948 -21.684 5.814 193 HZ2 LYS 35 2HZ LYS 35 -20.420 -20.385 6.788 194 HZ3 LYS 35 3HZ LYS 35 -18.823 -20.495 6.240 195 H LYS 36 H LYS 36 -17.722 -17.572 -0.578 196 HA LYS 36 HA LYS 36 -15.148 -16.205 -1.017 197 HB2 LYS 36 2HB LYS 36 -17.082 -16.945 -3.201 198 HB3 LYS 36 3HB LYS 36 -15.375 -16.545 -3.340 199 HG2 LYS 36 2HG LYS 36 -15.124 -18.702 -1.826 200 HG3 LYS 36 3HG LYS 36 -16.674 -19.097 -2.573 201 HD2 LYS 36 2HD LYS 36 -14.849 -18.110 -4.558 202 HD3 LYS 36 3HD LYS 36 -14.102 -19.432 -3.658 203 HE2 LYS 36 2HE LYS 36 -16.911 -19.732 -4.610 204 HE3 LYS 36 3HE LYS 36 -15.595 -19.901 -5.770 205 HZ1 LYS 36 1HZ LYS 36 -15.735 -22.032 -5.061 206 HZ2 LYS 36 2HZ LYS 36 -16.332 -21.623 -3.532 207 HZ3 LYS 36 3HZ LYS 36 -14.681 -21.463 -3.866 208 HA PRO 37 HA PRO 37 -18.310 -12.876 -0.502 209 HB2 PRO 37 2HB PRO 37 -16.660 -11.221 0.878 210 HB3 PRO 37 3HB PRO 37 -17.610 -12.494 1.653 211 HG2 PRO 37 2HG PRO 37 -14.724 -12.503 0.855 212 HG3 PRO 37 3HG PRO 37 -15.475 -13.103 2.345 213 HD2 PRO 37 2HD PRO 37 -14.754 -14.742 0.314 214 HD3 PRO 37 3HD PRO 37 -16.150 -15.075 1.360 215 H VAL 38 H VAL 38 -15.229 -13.188 -1.944 216 HA VAL 38 HA VAL 38 -15.821 -11.009 -3.769 217 HB VAL 38 HB VAL 38 -13.922 -10.678 -1.656 218 HG11 VAL 38 1HG1 VAL 38 -12.313 -11.739 -3.158 219 HG12 VAL 38 2HG1 VAL 38 -12.724 -10.580 -4.424 220 HG13 VAL 38 3HG1 VAL 38 -11.949 -10.028 -2.939 221 HG21 VAL 38 1HG2 VAL 38 -13.691 -8.487 -3.279 222 HG22 VAL 38 2HG2 VAL 38 -15.279 -9.114 -3.720 223 HG23 VAL 38 3HG2 VAL 38 -14.926 -8.711 -2.040 224 HA PRO 39 HA PRO 39 -14.011 -13.729 -6.704 225 HB2 PRO 39 2HB PRO 39 -13.134 -11.957 -8.564 226 HB3 PRO 39 3HB PRO 39 -14.845 -12.330 -8.325 227 HG2 PRO 39 2HG PRO 39 -13.256 -10.002 -7.318 228 HG3 PRO 39 3HG PRO 39 -14.886 -10.026 -8.015 229 HD2 PRO 39 2HD PRO 39 -14.445 -9.886 -5.347 230 HD3 PRO 39 3HD PRO 39 -15.857 -10.709 -6.039 231 H ILE 40 H ILE 40 -11.958 -10.821 -6.392 232 HA ILE 40 HA ILE 40 -9.552 -12.203 -6.955 233 HB ILE 40 HB ILE 40 -8.420 -10.161 -6.093 234 HG12 ILE 40 2HG1 ILE 40 -10.314 -8.260 -5.796 235 HG13 ILE 40 3HG1 ILE 40 -11.172 -9.641 -5.122 236 HG21 ILE 40 1HG2 ILE 40 -9.576 -10.506 -8.429 237 HG22 ILE 40 2HG2 ILE 40 -10.618 -9.205 -7.856 238 HG23 ILE 40 3HG2 ILE 40 -8.878 -8.949 -7.981 239 HD11 ILE 40 1HD1 ILE 40 -10.062 -9.439 -3.225 240 HD12 ILE 40 2HD1 ILE 40 -8.520 -9.568 -4.071 241 HD13 ILE 40 3HD1 ILE 40 -9.285 -7.992 -3.866 242 H ILE 41 H ILE 41 -8.226 -13.335 -5.685 243 HA ILE 41 HA ILE 41 -8.948 -13.714 -2.899 244 HB ILE 41 HB ILE 41 -7.764 -15.668 -2.936 245 HG12 ILE 41 2HG1 ILE 41 -5.986 -15.071 -5.236 246 HG13 ILE 41 3HG1 ILE 41 -5.676 -14.176 -3.752 247 HG21 ILE 41 1HG2 ILE 41 -9.449 -15.611 -4.799 248 HG22 ILE 41 2HG2 ILE 41 -8.108 -15.322 -5.906 249 HG23 ILE 41 3HG2 ILE 41 -8.175 -16.818 -4.975 250 HD11 ILE 41 1HD1 ILE 41 -5.954 -16.747 -2.854 251 HD12 ILE 41 2HD1 ILE 41 -5.142 -16.956 -4.406 252 HD13 ILE 41 3HD1 ILE 41 -4.429 -15.920 -3.170 253 H ALA 42 H ALA 42 -7.004 -13.978 -1.349 254 HA ALA 42 HA ALA 42 -4.866 -12.063 -1.833 255 HB1 ALA 42 1HB ALA 42 -6.031 -11.604 0.791 256 HB2 ALA 42 2HB ALA 42 -5.543 -10.449 -0.450 257 HB3 ALA 42 3HB ALA 42 -7.135 -11.204 -0.526 258 H CYS 43 H CYS 43 -3.004 -12.755 -0.987 259 HA CYS 43 HA CYS 43 -3.055 -15.125 0.711 260 HB2 CYS 43 2HB CYS 43 -0.760 -13.736 -0.688 261 HB3 CYS 43 3HB CYS 43 -0.627 -15.235 0.227 262 H ASN 44 H ASN 44 -1.281 -15.226 2.426 263 HA ASN 44 HA ASN 44 -0.910 -12.650 3.774 264 HB2 ASN 44 2HB ASN 44 -1.871 -13.305 5.774 265 HB3 ASN 44 3HB ASN 44 -2.935 -14.099 4.616 266 HD21 ASN 44 1HD2 ASN 44 -1.211 -16.190 3.867 267 HD22 ASN 44 2HD2 ASN 44 -1.056 -17.263 5.213 268 H ARG 45 H ARG 45 0.710 -12.764 5.528 269 HA ARG 45 HA ARG 45 2.918 -14.477 4.706 270 HB2 ARG 45 2HB ARG 45 4.234 -13.041 6.303 271 HB3 ARG 45 3HB ARG 45 3.504 -12.181 4.954 272 HG2 ARG 45 2HG ARG 45 2.086 -11.017 6.280 273 HG3 ARG 45 3HG ARG 45 1.931 -12.327 7.452 274 HD2 ARG 45 2HD ARG 45 3.780 -11.682 8.625 275 HD3 ARG 45 3HD ARG 45 4.570 -10.991 7.207 276 HE ARG 45 HE ARG 45 3.675 -8.978 7.777 277 HH11 ARG 45 1HH1 ARG 45 1.763 -11.487 9.248 278 HH12 ARG 45 2HH1 ARG 45 0.743 -10.385 10.112 279 HH21 ARG 45 1HH2 ARG 45 2.339 -7.516 8.908 280 HH22 ARG 45 2HH2 ARG 45 1.071 -8.126 9.917 281 H ARG 46 H ARG 46 1.952 -16.436 5.556 282 HA ARG 46 HA ARG 46 2.455 -16.719 8.440 283 HB2 ARG 46 2HB ARG 46 0.026 -17.472 6.884 284 HB3 ARG 46 3HB ARG 46 0.537 -18.539 8.184 285 HG2 ARG 46 2HG ARG 46 0.137 -15.594 8.598 286 HG3 ARG 46 3HG ARG 46 -1.178 -16.761 8.753 287 HD2 ARG 46 2HD ARG 46 -0.492 -17.368 10.780 288 HD3 ARG 46 3HD ARG 46 1.151 -17.642 10.202 289 HE ARG 46 HE ARG 46 0.541 -14.867 10.573 290 HH11 ARG 46 1HH1 ARG 46 1.573 -17.787 12.164 291 HH12 ARG 46 2HH1 ARG 46 2.390 -16.955 13.445 292 HH21 ARG 46 1HH2 ARG 46 1.613 -13.760 12.255 293 HH22 ARG 46 2HH2 ARG 46 2.412 -14.665 13.496 294 H THR 47 H THR 47 1.377 -19.013 5.957 295 HA THR 47 HA THR 47 3.982 -20.334 6.015 296 HB THR 47 HB THR 47 2.723 -21.460 7.781 297 HG1 THR 47 HG1 THR 47 3.466 -23.331 7.099 298 HG21 THR 47 1HG2 THR 47 0.773 -22.854 6.230 299 HG22 THR 47 2HG2 THR 47 0.543 -21.120 6.006 300 HG23 THR 47 3HG2 THR 47 0.529 -21.809 7.629 301 H GLY 48 H GLY 48 1.790 -18.960 4.187 302 HA2 GLY 48 2HA GLY 48 1.906 -19.068 1.806 303 HA3 GLY 48 3HA GLY 48 2.306 -20.775 1.935 304 H LYS 49 H LYS 49 -0.343 -18.549 2.794 305 HA LYS 49 HA LYS 49 -2.231 -20.307 1.454 306 HB2 LYS 49 2HB LYS 49 -3.483 -20.922 3.268 307 HB3 LYS 49 3HB LYS 49 -1.901 -20.849 4.032 308 HG2 LYS 49 2HG LYS 49 -2.420 -18.544 4.777 309 HG3 LYS 49 3HG LYS 49 -4.044 -18.737 4.113 310 HD2 LYS 49 2HD LYS 49 -2.825 -20.498 6.239 311 HD3 LYS 49 3HD LYS 49 -3.936 -19.163 6.549 312 HE2 LYS 49 2HE LYS 49 -5.558 -20.691 6.380 313 HE3 LYS 49 3HE LYS 49 -5.264 -20.624 4.643 314 HZ1 LYS 49 1HZ LYS 49 -4.290 -22.631 4.645 315 HZ2 LYS 49 2HZ LYS 49 -5.144 -22.862 6.087 316 HZ3 LYS 49 3HZ LYS 49 -3.519 -22.395 6.132 317 H CYS 50 H CYS 50 -4.044 -19.261 0.714 318 HA CYS 50 HA CYS 50 -4.266 -16.395 1.359 319 HB2 CYS 50 2HB CYS 50 -4.983 -17.462 -1.353 320 HB3 CYS 50 3HB CYS 50 -4.567 -15.817 -0.883 321 H GLN 51 H GLN 51 -6.518 -15.712 0.078 322 HA GLN 51 HA GLN 51 -8.646 -17.576 0.335 323 HB2 GLN 51 2HB GLN 51 -9.773 -16.696 2.265 324 HB3 GLN 51 3HB GLN 51 -8.138 -17.136 2.739 325 HG2 GLN 51 2HG GLN 51 -8.099 -14.428 1.912 326 HG3 GLN 51 3HG GLN 51 -9.460 -14.644 3.012 327 HE21 GLN 51 1HE2 GLN 51 -6.016 -15.380 2.674 328 HE22 GLN 51 2HE2 GLN 51 -5.637 -15.216 4.352 329 H ARG 52 H ARG 52 -10.798 -15.978 0.722 330 HA ARG 52 HA ARG 52 -10.651 -14.221 -1.608 331 HB2 ARG 52 2HB ARG 52 -12.957 -15.428 -0.085 332 HB3 ARG 52 3HB ARG 52 -13.183 -14.206 -1.329 333 HG2 ARG 52 2HG ARG 52 -13.278 -15.860 -2.799 334 HG3 ARG 52 3HG ARG 52 -11.554 -16.113 -2.519 335 HD2 ARG 52 2HD ARG 52 -13.541 -17.341 -0.661 336 HD3 ARG 52 3HD ARG 52 -13.254 -18.084 -2.234 337 HE ARG 52 HE ARG 52 -11.472 -18.056 0.027 338 HH11 ARG 52 1HH1 ARG 52 -11.732 -18.399 -3.428 339 HH12 ARG 52 2HH1 ARG 52 -10.262 -19.303 -3.580 340 HH21 ARG 52 1HH2 ARG 52 -9.534 -19.245 -0.160 341 HH22 ARG 52 2HH2 ARG 52 -9.013 -19.784 -1.721 342 H ALA 53 H ALA 53 -10.780 -12.065 -1.493 343 HA ALA 53 HA ALA 53 -10.953 -9.954 -0.658 344 HB1 ALA 53 1HB ALA 53 -13.098 -9.856 -0.036 345 HB2 ALA 53 2HB ALA 53 -13.046 -11.447 0.725 346 HB3 ALA 53 3HB ALA 53 -12.485 -10.027 1.609 Start of MODEL 2 1 H1 GLY 1 H GLY 1 5.407 0.770 -7.429 2 HA2 GLY 1 2HA GLY 1 4.456 -0.319 -5.507 3 HA3 GLY 1 3HA GLY 1 5.759 -1.495 -5.580 4 H SER 2 H SER 2 5.163 -0.319 -3.199 5 HA SER 2 HA SER 2 7.143 1.810 -2.821 6 HB2 SER 2 2HB SER 2 4.709 0.930 -1.351 7 HB3 SER 2 3HB SER 2 6.019 1.627 -0.398 8 HG SER 2 HG SER 2 4.260 2.843 -2.083 9 H LYS 3 H LYS 3 6.076 -0.980 -0.874 10 HA LYS 3 HA LYS 3 8.869 -1.805 -0.581 11 HB2 LYS 3 2HB LYS 3 8.659 -2.028 1.836 12 HB3 LYS 3 3HB LYS 3 8.372 -0.363 1.350 13 HG2 LYS 3 2HG LYS 3 5.938 -0.784 1.499 14 HG3 LYS 3 3HG LYS 3 6.292 -2.404 2.105 15 HD2 LYS 3 2HD LYS 3 7.527 -0.051 3.458 16 HD3 LYS 3 3HD LYS 3 5.826 -0.415 3.759 17 HE2 LYS 3 2HE LYS 3 7.703 -2.690 3.913 18 HE3 LYS 3 3HE LYS 3 7.851 -1.472 5.179 19 HZ1 LYS 3 1HZ LYS 3 5.730 -1.885 5.944 20 HZ2 LYS 3 2HZ LYS 3 6.244 -3.437 5.512 21 HZ3 LYS 3 3HZ LYS 3 5.208 -2.575 4.490 22 H LYS 4 H LYS 4 9.130 -3.955 -0.653 23 HA LYS 4 HA LYS 4 6.709 -5.627 -0.491 24 HB2 LYS 4 2HB LYS 4 7.966 -7.215 -1.980 25 HB3 LYS 4 3HB LYS 4 7.539 -5.682 -2.730 26 HG2 LYS 4 2HG LYS 4 9.670 -5.136 -3.082 27 HG3 LYS 4 3HG LYS 4 10.162 -5.642 -1.464 28 HD2 LYS 4 2HD LYS 4 10.101 -8.000 -2.243 29 HD3 LYS 4 3HD LYS 4 9.750 -7.415 -3.871 30 HE2 LYS 4 2HE LYS 4 11.925 -5.949 -3.346 31 HE3 LYS 4 3HE LYS 4 12.270 -7.339 -2.318 32 HZ1 LYS 4 1HZ LYS 4 11.381 -8.244 -4.827 33 HZ2 LYS 4 2HZ LYS 4 12.888 -8.479 -4.094 34 HZ3 LYS 4 3HZ LYS 4 12.624 -7.122 -5.069 35 HA PRO 5 HA PRO 5 9.415 -6.908 3.027 36 HB2 PRO 5 2HB PRO 5 7.356 -7.294 4.754 37 HB3 PRO 5 3HB PRO 5 8.116 -5.718 4.503 38 HG2 PRO 5 2HG PRO 5 5.577 -6.801 3.346 39 HG3 PRO 5 3HG PRO 5 5.909 -5.187 4.001 40 HD2 PRO 5 2HD PRO 5 5.878 -5.703 1.342 41 HD3 PRO 5 3HD PRO 5 6.938 -4.476 2.065 42 H VAL 6 H VAL 6 6.975 -8.301 1.126 43 HA VAL 6 HA VAL 6 7.889 -10.968 1.821 44 HB VAL 6 HB VAL 6 5.405 -9.966 2.817 45 HG11 VAL 6 1HG1 VAL 6 5.125 -12.249 0.865 46 HG12 VAL 6 2HG1 VAL 6 3.876 -11.682 1.975 47 HG13 VAL 6 3HG1 VAL 6 4.445 -10.633 0.676 48 HG21 VAL 6 1HG2 VAL 6 5.469 -12.640 3.398 49 HG22 VAL 6 2HG2 VAL 6 7.170 -12.278 3.106 50 HG23 VAL 6 3HG2 VAL 6 6.274 -11.375 4.327 51 HA PRO 7 HA PRO 7 7.374 -11.647 -2.489 52 HB2 PRO 7 2HB PRO 7 6.967 -14.331 -2.530 53 HB3 PRO 7 3HB PRO 7 8.541 -13.603 -2.189 54 HG2 PRO 7 2HG PRO 7 6.501 -14.682 -0.283 55 HG3 PRO 7 3HG PRO 7 8.262 -14.884 -0.269 56 HD2 PRO 7 2HD PRO 7 6.987 -13.103 1.323 57 HD3 PRO 7 3HD PRO 7 8.618 -12.815 0.683 58 H ILE 8 H ILE 8 5.055 -13.678 -0.681 59 HA ILE 8 HA ILE 8 3.096 -13.639 -2.723 60 HB ILE 8 HB ILE 8 1.550 -14.491 -0.950 61 HG12 ILE 8 2HG1 ILE 8 3.119 -15.207 1.140 62 HG13 ILE 8 3HG1 ILE 8 3.837 -13.652 0.731 63 HG21 ILE 8 1HG2 ILE 8 3.050 -15.933 -2.343 64 HG22 ILE 8 2HG2 ILE 8 4.192 -15.935 -1.000 65 HG23 ILE 8 3HG2 ILE 8 2.586 -16.634 -0.793 66 HD11 ILE 8 1HD1 ILE 8 2.272 -12.850 2.112 67 HD12 ILE 8 2HD1 ILE 8 1.209 -13.022 0.715 68 HD13 ILE 8 3HD1 ILE 8 1.250 -14.278 1.952 69 H ILE 9 H ILE 9 1.635 -12.151 -3.241 70 HA ILE 9 HA ILE 9 1.370 -9.791 -1.541 71 HB ILE 9 HB ILE 9 0.688 -8.602 -3.385 72 HG12 ILE 9 2HG1 ILE 9 -0.008 -10.917 -5.118 73 HG13 ILE 9 3HG1 ILE 9 -1.110 -10.542 -3.798 74 HG21 ILE 9 1HG2 ILE 9 2.959 -9.808 -3.675 75 HG22 ILE 9 2HG2 ILE 9 2.122 -10.729 -4.923 76 HG23 ILE 9 3HG2 ILE 9 2.249 -8.975 -5.058 77 HD11 ILE 9 1HD1 ILE 9 -0.687 -9.176 -6.324 78 HD12 ILE 9 2HD1 ILE 9 -2.061 -9.125 -5.219 79 HD13 ILE 9 3HD1 ILE 9 -0.663 -8.088 -4.936 80 H ALA 10 H ALA 10 -0.931 -8.777 -1.650 81 HA ALA 10 HA ALA 10 -3.050 -10.771 -1.488 82 HB1 ALA 10 1HB ALA 10 -2.856 -8.913 0.826 83 HB2 ALA 10 2HB ALA 10 -3.564 -10.526 0.725 84 HB3 ALA 10 3HB ALA 10 -1.813 -10.335 0.798 85 H CYS 11 H CYS 11 -4.899 -10.007 -2.297 86 HA CYS 11 HA CYS 11 -5.050 -7.163 -2.948 87 HB2 CYS 11 2HB CYS 11 -6.851 -9.430 -3.827 88 HB3 CYS 11 3HB CYS 11 -6.852 -7.789 -4.464 89 H ASN 12 H ASN 12 -7.359 -6.236 -2.872 90 HA ASN 12 HA ASN 12 -8.800 -7.134 -0.482 91 HB2 ASN 12 2HB ASN 12 -8.709 -5.099 0.611 92 HB3 ASN 12 3HB ASN 12 -7.110 -5.148 -0.126 93 HD21 ASN 12 1HD2 ASN 12 -7.881 -4.574 -2.770 94 HD22 ASN 12 2HD2 ASN 12 -8.401 -2.928 -2.829 95 H ARG 13 H ARG 13 -10.960 -6.083 -0.290 96 HA ARG 13 HA ARG 13 -12.191 -5.957 -2.929 97 HB2 ARG 13 2HB ARG 13 -14.332 -6.040 -1.611 98 HB3 ARG 13 3HB ARG 13 -13.282 -7.436 -1.408 99 HG2 ARG 13 2HG ARG 13 -13.261 -7.136 0.782 100 HG3 ARG 13 3HG ARG 13 -12.632 -5.500 0.579 101 HD2 ARG 13 2HD ARG 13 -14.765 -4.553 0.565 102 HD3 ARG 13 3HD ARG 13 -15.545 -6.092 0.202 103 HE ARG 13 HE ARG 13 -14.871 -5.070 2.787 104 HH11 ARG 13 1HH1 ARG 13 -15.330 -7.978 0.930 105 HH12 ARG 13 2HH1 ARG 13 -15.726 -8.951 2.307 106 HH21 ARG 13 1HH2 ARG 13 -15.392 -6.340 4.609 107 HH22 ARG 13 2HH2 ARG 13 -15.762 -8.018 4.399 108 H ARG 14 H ARG 14 -11.301 -3.846 -3.429 109 HA ARG 14 HA ARG 14 -12.933 -1.692 -2.271 110 HB2 ARG 14 2HB ARG 14 -9.972 -1.829 -2.582 111 HB3 ARG 14 3HB ARG 14 -10.759 -0.280 -2.856 112 HG2 ARG 14 2HG ARG 14 -11.217 -1.880 -0.360 113 HG3 ARG 14 3HG ARG 14 -9.879 -0.742 -0.521 114 HD2 ARG 14 2HD ARG 14 -11.718 0.930 -1.254 115 HD3 ARG 14 3HD ARG 14 -12.825 -0.210 -0.491 116 HE ARG 14 HE ARG 14 -10.661 0.468 1.230 117 HH11 ARG 14 1HH1 ARG 14 -13.705 1.615 -0.010 118 HH12 ARG 14 2HH1 ARG 14 -14.033 2.621 1.362 119 HH21 ARG 14 1HH2 ARG 14 -11.082 1.788 3.042 120 HH22 ARG 14 2HH2 ARG 14 -12.540 2.719 3.097 121 H THR 15 H THR 15 -10.427 -1.709 -4.781 122 HA THR 15 HA THR 15 -12.453 -1.297 -6.844 123 HB THR 15 HB THR 15 -11.907 0.971 -6.111 124 HG1 THR 15 HG1 THR 15 -10.870 1.594 -8.269 125 HG21 THR 15 1HG2 THR 15 -9.216 1.149 -7.101 126 HG22 THR 15 2HG2 THR 15 -9.309 -0.062 -5.823 127 HG23 THR 15 3HG2 THR 15 -9.850 1.588 -5.516 128 H GLY 16 H GLY 16 -10.028 -3.092 -5.902 129 HA2 GLY 16 2HA GLY 16 -9.047 -4.725 -7.335 130 HA3 GLY 16 3HA GLY 16 -9.096 -3.557 -8.648 131 H LYS 17 H LYS 17 -7.641 -3.899 -5.410 132 HA LYS 17 HA LYS 17 -5.038 -3.257 -6.551 133 HB2 LYS 17 2HB LYS 17 -4.638 -1.340 -5.372 134 HB3 LYS 17 3HB LYS 17 -6.377 -1.177 -5.581 135 HG2 LYS 17 2HG LYS 17 -6.704 -2.166 -3.344 136 HG3 LYS 17 3HG LYS 17 -4.951 -2.210 -3.138 137 HD2 LYS 17 2HD LYS 17 -6.090 0.390 -3.941 138 HD3 LYS 17 3HD LYS 17 -6.510 -0.166 -2.319 139 HE2 LYS 17 2HE LYS 17 -4.273 -0.219 -1.636 140 HE3 LYS 17 3HE LYS 17 -3.673 -0.196 -3.294 141 HZ1 LYS 17 1HZ LYS 17 -3.869 2.031 -3.430 142 HZ2 LYS 17 2HZ LYS 17 -3.727 1.949 -1.747 143 HZ3 LYS 17 3HZ LYS 17 -5.253 2.099 -2.460 144 H CYS 18 H CYS 18 -3.334 -4.163 -5.462 145 HA CYS 18 HA CYS 18 -3.960 -5.634 -2.990 146 HB2 CYS 18 2HB CYS 18 -2.037 -6.756 -4.997 147 HB3 CYS 18 3HB CYS 18 -2.952 -7.591 -3.747 148 H GLN 19 H GLN 19 -1.569 -6.643 -2.327 149 HA GLN 19 HA GLN 19 0.611 -4.849 -2.649 150 HB2 GLN 19 2HB GLN 19 0.699 -3.866 -0.458 151 HB3 GLN 19 3HB GLN 19 -0.869 -3.497 -1.164 152 HG2 GLN 19 2HG GLN 19 -1.122 -5.921 0.275 153 HG3 GLN 19 3HG GLN 19 -0.278 -4.765 1.304 154 HE21 GLN 19 1HE2 GLN 19 -3.133 -5.154 -0.735 155 HE22 GLN 19 2HE2 GLN 19 -4.143 -4.080 0.165 156 H ARG 20 H ARG 20 2.266 -5.316 -0.722 157 HA ARG 20 HA ARG 20 2.606 -8.197 -0.749 158 HB2 ARG 20 2HB ARG 20 4.384 -5.926 0.139 159 HB3 ARG 20 3HB ARG 20 4.825 -7.618 0.328 160 HG2 ARG 20 2HG ARG 20 5.824 -7.286 -1.658 161 HG3 ARG 20 3HG ARG 20 4.203 -7.601 -2.283 162 HD2 ARG 20 2HD ARG 20 4.002 -4.967 -1.823 163 HD3 ARG 20 3HD ARG 20 5.733 -5.075 -2.139 164 HE ARG 20 HE ARG 20 4.669 -6.445 -4.201 165 HH11 ARG 20 1HH1 ARG 20 4.008 -3.301 -2.860 166 HH12 ARG 20 2HH1 ARG 20 3.512 -2.616 -4.372 167 HH21 ARG 20 1HH2 ARG 20 4.018 -5.555 -6.198 168 HH22 ARG 20 2HH2 ARG 20 3.517 -3.899 -6.270 169 H ALA 21 H ALA 21 2.295 -9.525 0.930 170 HA ALA 21 HA ALA 21 1.783 -10.291 3.012 171 HB1 ALA 21 1HB ALA 21 2.795 -7.661 4.071 172 HB2 ALA 21 2HB ALA 21 2.709 -9.209 4.913 173 HB3 ALA 21 3HB ALA 21 3.853 -8.988 3.589 174 H1 GLY 33 H GLY 33 -11.890 -17.930 4.736 175 HA2 GLY 33 2HA GLY 33 -11.232 -19.166 2.884 176 HA3 GLY 33 3HA GLY 33 -10.480 -20.330 3.966 177 H SER 34 H SER 34 -13.830 -19.282 4.159 178 HA SER 34 HA SER 34 -14.640 -22.024 3.442 179 HB2 SER 34 2HB SER 34 -15.451 -21.936 5.569 180 HB3 SER 34 3HB SER 34 -15.505 -20.174 5.587 181 HG SER 34 HG SER 34 -17.598 -20.821 5.557 182 H LYS 35 H LYS 35 -15.725 -18.637 3.348 183 HA LYS 35 HA LYS 35 -17.348 -19.304 0.982 184 HB2 LYS 35 2HB LYS 35 -17.735 -17.409 3.242 185 HB3 LYS 35 3HB LYS 35 -18.319 -16.907 1.661 186 HG2 LYS 35 2HG LYS 35 -19.085 -19.631 2.362 187 HG3 LYS 35 3HG LYS 35 -19.706 -18.411 3.476 188 HD2 LYS 35 2HD LYS 35 -20.509 -17.142 1.446 189 HD3 LYS 35 3HD LYS 35 -20.110 -18.575 0.495 190 HE2 LYS 35 2HE LYS 35 -22.101 -19.417 1.005 191 HE3 LYS 35 3HE LYS 35 -21.610 -19.473 2.698 192 HZ1 LYS 35 1HZ LYS 35 -22.780 -17.064 1.426 193 HZ2 LYS 35 2HZ LYS 35 -22.529 -17.340 3.075 194 HZ3 LYS 35 3HZ LYS 35 -23.705 -18.223 2.240 195 H LYS 36 H LYS 36 -17.456 -17.696 -0.722 196 HA LYS 36 HA LYS 36 -14.939 -16.185 -0.958 197 HB2 LYS 36 2HB LYS 36 -16.643 -17.040 -3.284 198 HB3 LYS 36 3HB LYS 36 -14.948 -16.572 -3.282 199 HG2 LYS 36 2HG LYS 36 -14.891 -18.732 -1.645 200 HG3 LYS 36 3HG LYS 36 -16.190 -19.174 -2.756 201 HD2 LYS 36 2HD LYS 36 -14.788 -19.120 -4.611 202 HD3 LYS 36 3HD LYS 36 -13.592 -18.107 -3.799 203 HE2 LYS 36 2HE LYS 36 -12.513 -20.114 -3.703 204 HE3 LYS 36 3HE LYS 36 -13.431 -20.206 -2.200 205 HZ1 LYS 36 1HZ LYS 36 -14.924 -21.184 -4.427 206 HZ2 LYS 36 2HZ LYS 36 -14.573 -21.938 -2.954 207 HZ3 LYS 36 3HZ LYS 36 -13.471 -22.030 -4.235 208 HA PRO 37 HA PRO 37 -18.285 -13.007 -0.761 209 HB2 PRO 37 2HB PRO 37 -16.828 -11.251 0.710 210 HB3 PRO 37 3HB PRO 37 -17.775 -12.557 1.433 211 HG2 PRO 37 2HG PRO 37 -14.838 -12.436 0.863 212 HG3 PRO 37 3HG PRO 37 -15.674 -13.049 2.302 213 HD2 PRO 37 2HD PRO 37 -14.719 -14.683 0.366 214 HD3 PRO 37 3HD PRO 37 -16.175 -15.067 1.307 215 H VAL 38 H VAL 38 -15.089 -13.190 -1.953 216 HA VAL 38 HA VAL 38 -15.638 -11.072 -3.861 217 HB VAL 38 HB VAL 38 -13.925 -10.617 -1.614 218 HG11 VAL 38 1HG1 VAL 38 -11.900 -9.874 -2.771 219 HG12 VAL 38 2HG1 VAL 38 -12.150 -11.610 -2.959 220 HG13 VAL 38 3HG1 VAL 38 -12.531 -10.514 -4.288 221 HG21 VAL 38 1HG2 VAL 38 -13.679 -8.436 -3.240 222 HG22 VAL 38 2HG2 VAL 38 -15.188 -9.150 -3.809 223 HG23 VAL 38 3HG2 VAL 38 -15.003 -8.714 -2.110 224 HA PRO 39 HA PRO 39 -13.486 -13.763 -6.586 225 HB2 PRO 39 2HB PRO 39 -12.587 -11.986 -8.432 226 HB3 PRO 39 3HB PRO 39 -14.286 -12.456 -8.298 227 HG2 PRO 39 2HG PRO 39 -12.908 -10.013 -7.252 228 HG3 PRO 39 3HG PRO 39 -14.482 -10.151 -8.057 229 HD2 PRO 39 2HD PRO 39 -14.234 -9.921 -5.370 230 HD3 PRO 39 3HD PRO 39 -15.546 -10.843 -6.133 231 H ILE 40 H ILE 40 -11.625 -10.731 -6.254 232 HA ILE 40 HA ILE 40 -9.112 -11.964 -6.615 233 HB ILE 40 HB ILE 40 -8.180 -9.843 -5.662 234 HG12 ILE 40 2HG1 ILE 40 -10.272 -8.094 -5.643 235 HG13 ILE 40 3HG1 ILE 40 -11.019 -9.522 -4.934 236 HG21 ILE 40 1HG2 ILE 40 -8.809 -8.485 -7.539 237 HG22 ILE 40 2HG2 ILE 40 -8.712 -10.164 -8.065 238 HG23 ILE 40 3HG2 ILE 40 -10.285 -9.420 -7.776 239 HD11 ILE 40 1HD1 ILE 40 -8.880 -7.773 -3.878 240 HD12 ILE 40 2HD1 ILE 40 -10.235 -8.542 -3.051 241 HD13 ILE 40 3HD1 ILE 40 -8.809 -9.488 -3.478 242 H ILE 41 H ILE 41 -7.867 -13.077 -5.261 243 HA ILE 41 HA ILE 41 -8.719 -13.420 -2.508 244 HB ILE 41 HB ILE 41 -7.484 -15.342 -2.446 245 HG12 ILE 41 2HG1 ILE 41 -5.612 -14.742 -4.670 246 HG13 ILE 41 3HG1 ILE 41 -5.397 -13.814 -3.190 247 HG21 ILE 41 1HG2 ILE 41 -7.830 -16.552 -4.432 248 HG22 ILE 41 2HG2 ILE 41 -9.072 -15.301 -4.430 249 HG23 ILE 41 3HG2 ILE 41 -7.637 -15.116 -5.437 250 HD11 ILE 41 1HD1 ILE 41 -4.147 -15.514 -2.500 251 HD12 ILE 41 2HD1 ILE 41 -5.662 -16.389 -2.275 252 HD13 ILE 41 3HD1 ILE 41 -4.747 -16.580 -3.770 253 H ALA 42 H ALA 42 -6.844 -13.614 -0.860 254 HA ALA 42 HA ALA 42 -4.741 -11.643 -1.268 255 HB1 ALA 42 1HB ALA 42 -6.135 -11.239 1.280 256 HB2 ALA 42 2HB ALA 42 -5.466 -10.062 0.149 257 HB3 ALA 42 3HB ALA 42 -7.055 -10.767 -0.149 258 H CYS 43 H CYS 43 -2.900 -12.288 -0.347 259 HA CYS 43 HA CYS 43 -2.969 -14.625 1.399 260 HB2 CYS 43 2HB CYS 43 -0.630 -13.234 0.076 261 HB3 CYS 43 3HB CYS 43 -0.544 -14.741 0.982 262 H ASN 44 H ASN 44 -1.219 -14.648 3.157 263 HA ASN 44 HA ASN 44 -0.968 -12.036 4.466 264 HB2 ASN 44 2HB ASN 44 -1.929 -12.706 6.466 265 HB3 ASN 44 3HB ASN 44 -2.956 -13.528 5.295 266 HD21 ASN 44 1HD2 ASN 44 -1.005 -15.526 4.609 267 HD22 ASN 44 2HD2 ASN 44 -0.911 -16.612 5.949 268 H ARG 45 H ARG 45 0.556 -12.158 6.368 269 HA ARG 45 HA ARG 45 2.882 -13.731 5.570 270 HB2 ARG 45 2HB ARG 45 2.433 -11.201 7.010 271 HB3 ARG 45 3HB ARG 45 3.733 -12.193 7.656 272 HG2 ARG 45 2HG ARG 45 4.807 -12.236 5.473 273 HG3 ARG 45 3HG ARG 45 3.490 -11.273 4.799 274 HD2 ARG 45 2HD ARG 45 5.016 -9.624 5.231 275 HD3 ARG 45 3HD ARG 45 4.129 -9.635 6.755 276 HE ARG 45 HE ARG 45 6.351 -11.410 6.827 277 HH11 ARG 45 1HH1 ARG 45 5.464 -8.050 7.033 278 HH12 ARG 45 2HH1 ARG 45 6.835 -7.612 7.998 279 HH21 ARG 45 1HH2 ARG 45 8.160 -10.847 8.098 280 HH22 ARG 45 2HH2 ARG 45 8.368 -9.204 8.602 281 H ARG 46 H ARG 46 1.965 -15.747 6.346 282 HA ARG 46 HA ARG 46 2.387 -16.071 9.238 283 HB2 ARG 46 2HB ARG 46 0.032 -16.860 7.597 284 HB3 ARG 46 3HB ARG 46 0.550 -17.966 8.862 285 HG2 ARG 46 2HG ARG 46 0.391 -16.091 10.485 286 HG3 ARG 46 3HG ARG 46 -0.285 -15.095 9.194 287 HD2 ARG 46 2HD ARG 46 -2.208 -15.864 10.168 288 HD3 ARG 46 3HD ARG 46 -1.948 -17.115 8.953 289 HE ARG 46 HE ARG 46 -0.649 -17.994 11.212 290 HH11 ARG 46 1HH1 ARG 46 -3.906 -17.109 10.359 291 HH12 ARG 46 2HH1 ARG 46 -4.637 -18.191 11.497 292 HH21 ARG 46 1HH2 ARG 46 -1.599 -19.423 12.714 293 HH22 ARG 46 2HH2 ARG 46 -3.324 -19.506 12.837 294 H THR 47 H THR 47 1.430 -18.411 6.763 295 HA THR 47 HA THR 47 4.100 -19.602 6.819 296 HB THR 47 HB THR 47 2.920 -20.804 8.569 297 HG1 THR 47 HG1 THR 47 2.928 -22.498 6.291 298 HG21 THR 47 1HG2 THR 47 0.669 -20.414 6.978 299 HG22 THR 47 2HG2 THR 47 0.754 -21.343 8.475 300 HG23 THR 47 3HG2 THR 47 0.957 -22.152 6.921 301 H GLY 48 H GLY 48 1.808 -18.350 4.995 302 HA2 GLY 48 2HA GLY 48 2.003 -18.453 2.600 303 HA3 GLY 48 3HA GLY 48 2.407 -20.157 2.748 304 H LYS 49 H LYS 49 -0.264 -17.973 3.656 305 HA LYS 49 HA LYS 49 -2.130 -19.770 2.309 306 HB2 LYS 49 2HB LYS 49 -3.407 -20.291 4.136 307 HB3 LYS 49 3HB LYS 49 -1.832 -20.187 4.911 308 HG2 LYS 49 2HG LYS 49 -2.347 -17.852 5.548 309 HG3 LYS 49 3HG LYS 49 -3.963 -18.061 4.867 310 HD2 LYS 49 2HD LYS 49 -4.074 -18.405 7.245 311 HD3 LYS 49 3HD LYS 49 -4.320 -19.955 6.436 312 HE2 LYS 49 2HE LYS 49 -1.520 -19.482 6.961 313 HE3 LYS 49 3HE LYS 49 -2.470 -19.367 8.442 314 HZ1 LYS 49 1HZ LYS 49 -1.736 -21.624 8.074 315 HZ2 LYS 49 2HZ LYS 49 -2.464 -21.655 6.548 316 HZ3 LYS 49 3HZ LYS 49 -3.420 -21.544 7.938 317 H CYS 50 H CYS 50 -3.928 -18.763 1.488 318 HA CYS 50 HA CYS 50 -4.188 -15.878 2.015 319 HB2 CYS 50 2HB CYS 50 -4.775 -17.040 -0.690 320 HB3 CYS 50 3HB CYS 50 -4.410 -15.374 -0.257 321 H GLN 51 H GLN 51 -6.392 -15.252 0.636 322 HA GLN 51 HA GLN 51 -8.507 -17.147 0.896 323 HB2 GLN 51 2HB GLN 51 -9.747 -16.067 2.689 324 HB3 GLN 51 3HB GLN 51 -8.176 -16.597 3.272 325 HG2 GLN 51 2HG GLN 51 -8.002 -13.907 2.301 326 HG3 GLN 51 3HG GLN 51 -9.313 -14.049 3.471 327 HE21 GLN 51 1HE2 GLN 51 -5.893 -14.723 2.962 328 HE22 GLN 51 2HE2 GLN 51 -5.435 -14.602 4.623 329 H ARG 52 H ARG 52 -10.704 -15.618 1.024 330 HA ARG 52 HA ARG 52 -10.491 -14.037 -1.412 331 HB2 ARG 52 2HB ARG 52 -12.839 -15.074 0.173 332 HB3 ARG 52 3HB ARG 52 -13.024 -13.989 -1.198 333 HG2 ARG 52 2HG ARG 52 -13.189 -15.856 -2.405 334 HG3 ARG 52 3HG ARG 52 -11.433 -15.940 -2.243 335 HD2 ARG 52 2HD ARG 52 -13.082 -17.085 -0.056 336 HD3 ARG 52 3HD ARG 52 -13.021 -17.966 -1.582 337 HE ARG 52 HE ARG 52 -10.967 -17.808 0.371 338 HH11 ARG 52 1HH1 ARG 52 -11.512 -17.961 -3.064 339 HH12 ARG 52 2HH1 ARG 52 -9.984 -18.703 -3.405 340 HH21 ARG 52 1HH2 ARG 52 -8.952 -18.785 -0.065 341 HH22 ARG 52 2HH2 ARG 52 -8.529 -19.172 -1.699 342 H ALA 53 H ALA 53 -10.404 -11.893 -1.427 343 HA ALA 53 HA ALA 53 -10.526 -9.713 -0.784 344 HB1 ALA 53 1HB ALA 53 -12.335 -9.589 1.313 345 HB2 ALA 53 2HB ALA 53 -12.690 -9.363 -0.400 346 HB3 ALA 53 3HB ALA 53 -12.889 -10.952 0.339 Start of MODEL 3 1 H1 GLY 1 H GLY 1 6.892 -2.042 -4.763 2 HA2 GLY 1 2HA GLY 1 5.615 0.023 -5.199 3 HA3 GLY 1 3HA GLY 1 4.516 -0.494 -3.929 4 H SER 2 H SER 2 5.263 -0.476 -1.736 5 HA SER 2 HA SER 2 7.362 1.539 -1.316 6 HB2 SER 2 2HB SER 2 5.446 2.396 -0.316 7 HB3 SER 2 3HB SER 2 4.878 0.807 0.195 8 HG SER 2 HG SER 2 6.765 2.498 1.381 9 H LYS 3 H LYS 3 6.008 -1.116 0.638 10 HA LYS 3 HA LYS 3 8.744 -2.100 1.071 11 HB2 LYS 3 2HB LYS 3 8.059 -2.601 3.449 12 HB3 LYS 3 3HB LYS 3 8.264 -0.897 3.066 13 HG2 LYS 3 2HG LYS 3 6.200 -0.463 3.725 14 HG3 LYS 3 3HG LYS 3 5.551 -1.642 2.582 15 HD2 LYS 3 2HD LYS 3 4.827 -2.632 4.488 16 HD3 LYS 3 3HD LYS 3 6.455 -3.315 4.471 17 HE2 LYS 3 2HE LYS 3 5.924 -2.446 6.675 18 HE3 LYS 3 3HE LYS 3 7.217 -1.501 5.938 19 HZ1 LYS 3 1HZ LYS 3 4.888 -0.248 5.195 20 HZ2 LYS 3 2HZ LYS 3 5.989 0.279 6.365 21 HZ3 LYS 3 3HZ LYS 3 4.652 -0.651 6.821 22 H LYS 4 H LYS 4 8.961 -4.212 0.721 23 HA LYS 4 HA LYS 4 6.519 -5.858 0.618 24 HB2 LYS 4 2HB LYS 4 9.097 -6.451 -0.829 25 HB3 LYS 4 3HB LYS 4 7.517 -7.176 -1.095 26 HG2 LYS 4 2HG LYS 4 7.157 -5.698 -2.698 27 HG3 LYS 4 3HG LYS 4 7.185 -4.417 -1.484 28 HD2 LYS 4 2HD LYS 4 9.735 -4.497 -1.738 29 HD3 LYS 4 3HD LYS 4 9.429 -5.421 -3.210 30 HE2 LYS 4 2HE LYS 4 7.792 -3.024 -3.028 31 HE3 LYS 4 3HE LYS 4 9.518 -2.669 -2.992 32 HZ1 LYS 4 1HZ LYS 4 7.914 -3.879 -5.127 33 HZ2 LYS 4 2HZ LYS 4 9.538 -4.330 -4.988 34 HZ3 LYS 4 3HZ LYS 4 9.129 -2.706 -5.226 35 HA PRO 5 HA PRO 5 9.034 -7.505 4.126 36 HB2 PRO 5 2HB PRO 5 6.888 -8.021 5.706 37 HB3 PRO 5 3HB PRO 5 7.676 -6.441 5.643 38 HG2 PRO 5 2HG PRO 5 5.186 -7.372 4.267 39 HG3 PRO 5 3HG PRO 5 5.502 -5.832 5.087 40 HD2 PRO 5 2HD PRO 5 5.597 -6.094 2.394 41 HD3 PRO 5 3HD PRO 5 6.633 -4.957 3.280 42 H VAL 6 H VAL 6 6.652 -8.675 2.002 43 HA VAL 6 HA VAL 6 7.518 -11.408 2.465 44 HB VAL 6 HB VAL 6 5.004 -10.475 3.463 45 HG11 VAL 6 1HG1 VAL 6 3.502 -12.100 2.416 46 HG12 VAL 6 2HG1 VAL 6 4.119 -10.938 1.238 47 HG13 VAL 6 3HG1 VAL 6 4.787 -12.570 1.303 48 HG21 VAL 6 1HG2 VAL 6 5.031 -13.187 3.807 49 HG22 VAL 6 2HG2 VAL 6 6.744 -12.821 3.602 50 HG23 VAL 6 3HG2 VAL 6 5.816 -12.019 4.870 51 HA PRO 7 HA PRO 7 7.151 -11.650 -1.906 52 HB2 PRO 7 2HB PRO 7 6.747 -14.315 -2.226 53 HB3 PRO 7 3HB PRO 7 8.309 -13.629 -1.763 54 HG2 PRO 7 2HG PRO 7 6.208 -14.885 -0.041 55 HG3 PRO 7 3HG PRO 7 7.968 -15.092 0.011 56 HD2 PRO 7 2HD PRO 7 6.640 -13.474 1.728 57 HD3 PRO 7 3HD PRO 7 8.291 -13.128 1.173 58 H ILE 8 H ILE 8 4.788 -13.883 -0.424 59 HA ILE 8 HA ILE 8 2.895 -13.620 -2.503 60 HB ILE 8 HB ILE 8 1.292 -14.647 -0.875 61 HG12 ILE 8 2HG1 ILE 8 2.866 -15.577 1.158 62 HG13 ILE 8 3HG1 ILE 8 3.490 -13.944 0.954 63 HG21 ILE 8 1HG2 ILE 8 3.618 -16.394 -0.607 64 HG22 ILE 8 2HG2 ILE 8 2.087 -16.661 -1.440 65 HG23 ILE 8 3HG2 ILE 8 3.380 -15.768 -2.238 66 HD11 ILE 8 1HD1 ILE 8 0.952 -13.306 1.010 67 HD12 ILE 8 2HD1 ILE 8 0.807 -14.854 1.844 68 HD13 ILE 8 3HD1 ILE 8 1.851 -13.593 2.500 69 H ILE 9 H ILE 9 1.442 -12.091 -2.913 70 HA ILE 9 HA ILE 9 1.161 -9.874 -1.051 71 HB ILE 9 HB ILE 9 0.452 -8.586 -2.799 72 HG12 ILE 9 2HG1 ILE 9 -0.437 -10.739 -4.633 73 HG13 ILE 9 3HG1 ILE 9 -1.419 -10.491 -3.193 74 HG21 ILE 9 1HG2 ILE 9 2.658 -9.771 -3.313 75 HG22 ILE 9 2HG2 ILE 9 1.733 -10.716 -4.480 76 HG23 ILE 9 3HG2 ILE 9 1.837 -8.964 -4.648 77 HD11 ILE 9 1HD1 ILE 9 -1.095 -7.943 -4.080 78 HD12 ILE 9 2HD1 ILE 9 -1.148 -8.851 -5.591 79 HD13 ILE 9 3HD1 ILE 9 -2.478 -8.977 -4.439 80 H ALA 10 H ALA 10 -1.127 -8.894 -0.943 81 HA ALA 10 HA ALA 10 -3.224 -10.923 -0.832 82 HB1 ALA 10 1HB ALA 10 -1.837 -10.402 1.439 83 HB2 ALA 10 2HB ALA 10 -3.150 -9.231 1.565 84 HB3 ALA 10 3HB ALA 10 -3.514 -10.948 1.395 85 H CYS 11 H CYS 11 -5.110 -10.145 -1.533 86 HA CYS 11 HA CYS 11 -5.325 -7.278 -2.037 87 HB2 CYS 11 2HB CYS 11 -7.019 -9.608 -2.958 88 HB3 CYS 11 3HB CYS 11 -7.315 -7.929 -3.395 89 H ASN 12 H ASN 12 -7.616 -6.361 -1.788 90 HA ASN 12 HA ASN 12 -8.924 -7.376 0.633 91 HB2 ASN 12 2HB ASN 12 -8.829 -5.357 1.778 92 HB3 ASN 12 3HB ASN 12 -7.247 -5.406 1.006 93 HD21 ASN 12 1HD2 ASN 12 -8.283 -4.818 -1.631 94 HD22 ASN 12 2HD2 ASN 12 -8.701 -3.142 -1.629 95 H ARG 13 H ARG 13 -11.058 -6.223 1.004 96 HA ARG 13 HA ARG 13 -12.461 -6.104 -1.552 97 HB2 ARG 13 2HB ARG 13 -13.219 -6.668 1.261 98 HB3 ARG 13 3HB ARG 13 -14.439 -5.897 0.255 99 HG2 ARG 13 2HG ARG 13 -14.788 -7.748 -0.972 100 HG3 ARG 13 3HG ARG 13 -13.085 -8.209 -0.955 101 HD2 ARG 13 2HD ARG 13 -14.074 -9.877 0.313 102 HD3 ARG 13 3HD ARG 13 -13.504 -8.746 1.540 103 HE ARG 13 HE ARG 13 -16.021 -7.910 1.122 104 HH11 ARG 13 1HH1 ARG 13 -14.675 -11.063 1.726 105 HH12 ARG 13 2HH1 ARG 13 -16.090 -11.656 2.531 106 HH21 ARG 13 1HH2 ARG 13 -17.890 -8.679 2.179 107 HH22 ARG 13 2HH2 ARG 13 -17.918 -10.300 2.787 108 H ARG 14 H ARG 14 -11.579 -4.005 -2.115 109 HA ARG 14 HA ARG 14 -13.115 -1.831 -0.867 110 HB2 ARG 14 2HB ARG 14 -10.172 -1.978 -1.370 111 HB3 ARG 14 3HB ARG 14 -10.981 -0.425 -1.522 112 HG2 ARG 14 2HG ARG 14 -11.244 -2.130 0.933 113 HG3 ARG 14 3HG ARG 14 -9.934 -0.967 0.720 114 HD2 ARG 14 2HD ARG 14 -11.310 0.566 1.567 115 HD3 ARG 14 3HD ARG 14 -12.214 0.458 0.057 116 HE ARG 14 HE ARG 14 -13.036 -1.560 1.869 117 HH11 ARG 14 1HH1 ARG 14 -13.301 1.854 1.242 118 HH12 ARG 14 2HH1 ARG 14 -14.839 2.011 2.024 119 HH21 ARG 14 1HH2 ARG 14 -15.060 -1.367 2.902 120 HH22 ARG 14 2HH2 ARG 14 -15.838 0.178 2.969 121 H THR 15 H THR 15 -10.730 -1.834 -3.489 122 HA THR 15 HA THR 15 -12.829 -1.485 -5.478 123 HB THR 15 HB THR 15 -12.434 0.806 -4.759 124 HG1 THR 15 HG1 THR 15 -11.445 1.523 -6.901 125 HG21 THR 15 1HG2 THR 15 -9.667 0.934 -5.744 126 HG22 THR 15 2HG2 THR 15 -9.877 0.037 -4.240 127 HG23 THR 15 3HG2 THR 15 -10.412 1.714 -4.349 128 H GLY 16 H GLY 16 -10.331 -3.184 -4.649 129 HA2 GLY 16 2HA GLY 16 -9.342 -4.724 -6.204 130 HA3 GLY 16 3HA GLY 16 -9.358 -3.450 -7.414 131 H LYS 17 H LYS 17 -8.113 -3.694 -4.082 132 HA LYS 17 HA LYS 17 -5.454 -2.983 -5.123 133 HB2 LYS 17 2HB LYS 17 -7.051 -1.662 -2.983 134 HB3 LYS 17 3HB LYS 17 -5.314 -1.795 -2.742 135 HG2 LYS 17 2HG LYS 17 -5.030 -0.718 -4.998 136 HG3 LYS 17 3HG LYS 17 -6.764 -0.390 -4.968 137 HD2 LYS 17 2HD LYS 17 -6.566 1.226 -3.391 138 HD3 LYS 17 3HD LYS 17 -5.239 0.406 -2.565 139 HE2 LYS 17 2HE LYS 17 -4.031 1.055 -4.885 140 HE3 LYS 17 3HE LYS 17 -5.187 2.381 -4.757 141 HZ1 LYS 17 1HZ LYS 17 -3.797 1.818 -2.302 142 HZ2 LYS 17 2HZ LYS 17 -4.054 3.295 -3.085 143 HZ3 LYS 17 3HZ LYS 17 -2.769 2.301 -3.556 144 H CYS 18 H CYS 18 -3.693 -3.870 -4.044 145 HA CYS 18 HA CYS 18 -4.273 -5.748 -1.862 146 HB2 CYS 18 2HB CYS 18 -2.374 -6.513 -4.061 147 HB3 CYS 18 3HB CYS 18 -3.175 -7.548 -2.882 148 H GLN 19 H GLN 19 -1.865 -6.768 -1.339 149 HA GLN 19 HA GLN 19 0.250 -4.852 -1.422 150 HB2 GLN 19 2HB GLN 19 0.357 -4.297 0.925 151 HB3 GLN 19 3HB GLN 19 -1.221 -3.838 0.300 152 HG2 GLN 19 2HG GLN 19 -1.468 -6.472 1.252 153 HG3 GLN 19 3HG GLN 19 -0.571 -5.570 2.472 154 HE21 GLN 19 1HE2 GLN 19 -3.508 -5.561 0.531 155 HE22 GLN 19 2HE2 GLN 19 -4.460 -4.646 1.645 156 H ARG 20 H ARG 20 1.873 -5.589 0.550 157 HA ARG 20 HA ARG 20 2.401 -8.386 -0.073 158 HB2 ARG 20 2HB ARG 20 4.052 -6.244 1.269 159 HB3 ARG 20 3HB ARG 20 4.584 -7.913 1.108 160 HG2 ARG 20 2HG ARG 20 5.548 -7.161 -0.769 161 HG3 ARG 20 3HG ARG 20 3.932 -7.358 -1.452 162 HD2 ARG 20 2HD ARG 20 3.665 -4.900 -0.446 163 HD3 ARG 20 3HD ARG 20 5.406 -4.894 -0.721 164 HE ARG 20 HE ARG 20 4.361 -5.821 -3.060 165 HH11 ARG 20 1HH1 ARG 20 3.865 -2.980 -1.110 166 HH12 ARG 20 2HH1 ARG 20 3.460 -1.967 -2.456 167 HH21 ARG 20 1HH2 ARG 20 3.830 -4.498 -4.841 168 HH22 ARG 20 2HH2 ARG 20 3.439 -2.832 -4.578 169 H ALA 21 H ALA 21 1.950 -9.995 1.273 170 HA ALA 21 HA ALA 21 1.410 -11.168 3.148 171 HB1 ALA 21 1HB ALA 21 3.328 -9.193 4.021 172 HB2 ALA 21 2HB ALA 21 2.190 -9.597 5.307 173 HB3 ALA 21 3HB ALA 21 3.128 -10.871 4.528 174 H1 GLY 33 H GLY 33 -9.722 -20.303 6.198 175 HA2 GLY 33 2HA GLY 33 -10.932 -19.102 3.791 176 HA3 GLY 33 3HA GLY 33 -9.577 -20.221 3.783 177 H SER 34 H SER 34 -12.921 -19.893 3.480 178 HA SER 34 HA SER 34 -13.206 -22.809 3.347 179 HB2 SER 34 2HB SER 34 -15.546 -22.484 4.347 180 HB3 SER 34 3HB SER 34 -14.181 -22.378 5.459 181 HG SER 34 HG SER 34 -14.808 -20.435 5.903 182 H LYS 35 H LYS 35 -15.137 -19.846 2.866 183 HA LYS 35 HA LYS 35 -16.030 -20.946 0.289 184 HB2 LYS 35 2HB LYS 35 -17.862 -19.246 0.471 185 HB3 LYS 35 3HB LYS 35 -17.885 -20.475 1.728 186 HG2 LYS 35 2HG LYS 35 -17.112 -18.982 3.359 187 HG3 LYS 35 3HG LYS 35 -16.585 -17.806 2.153 188 HD2 LYS 35 2HD LYS 35 -18.562 -16.894 2.995 189 HD3 LYS 35 3HD LYS 35 -19.066 -17.674 1.494 190 HE2 LYS 35 2HE LYS 35 -19.886 -19.588 2.721 191 HE3 LYS 35 3HE LYS 35 -19.276 -18.919 4.234 192 HZ1 LYS 35 1HZ LYS 35 -21.599 -18.490 4.109 193 HZ2 LYS 35 2HZ LYS 35 -21.469 -17.835 2.555 194 HZ3 LYS 35 3HZ LYS 35 -20.805 -17.015 3.876 195 H LYS 36 H LYS 36 -16.341 -19.386 -1.482 196 HA LYS 36 HA LYS 36 -14.244 -17.317 -1.437 197 HB2 LYS 36 2HB LYS 36 -14.323 -17.608 -3.974 198 HB3 LYS 36 3HB LYS 36 -13.603 -18.914 -3.043 199 HG2 LYS 36 2HG LYS 36 -15.185 -20.387 -3.640 200 HG3 LYS 36 3HG LYS 36 -16.482 -19.193 -3.541 201 HD2 LYS 36 2HD LYS 36 -15.910 -18.306 -5.696 202 HD3 LYS 36 3HD LYS 36 -14.461 -19.311 -5.777 203 HE2 LYS 36 2HE LYS 36 -15.699 -20.811 -6.862 204 HE3 LYS 36 3HE LYS 36 -16.515 -21.117 -5.330 205 HZ1 LYS 36 1HZ LYS 36 -17.685 -18.853 -6.419 206 HZ2 LYS 36 2HZ LYS 36 -18.369 -20.392 -6.265 207 HZ3 LYS 36 3HZ LYS 36 -17.557 -19.967 -7.686 208 HA PRO 37 HA PRO 37 -18.247 -15.044 -1.812 209 HB2 PRO 37 2HB PRO 37 -17.474 -12.981 -0.226 210 HB3 PRO 37 3HB PRO 37 -18.171 -14.475 0.413 211 HG2 PRO 37 2HG PRO 37 -15.299 -13.648 0.237 212 HG3 PRO 37 3HG PRO 37 -16.156 -14.439 1.573 213 HD2 PRO 37 2HD PRO 37 -14.577 -15.801 -0.154 214 HD3 PRO 37 3HD PRO 37 -16.015 -16.522 0.597 215 H VAL 38 H VAL 38 -15.007 -13.552 -1.671 216 HA VAL 38 HA VAL 38 -15.794 -11.727 -3.827 217 HB VAL 38 HB VAL 38 -14.124 -11.448 -1.521 218 HG11 VAL 38 1HG1 VAL 38 -12.163 -10.399 -2.526 219 HG12 VAL 38 2HG1 VAL 38 -12.279 -12.097 -2.990 220 HG13 VAL 38 3HG1 VAL 38 -12.743 -10.836 -4.133 221 HG21 VAL 38 1HG2 VAL 38 -14.063 -9.049 -2.826 222 HG22 VAL 38 2HG2 VAL 38 -15.507 -9.800 -3.506 223 HG23 VAL 38 3HG2 VAL 38 -15.359 -9.591 -1.761 224 HA PRO 39 HA PRO 39 -13.413 -13.793 -6.885 225 HB2 PRO 39 2HB PRO 39 -12.623 -11.697 -8.418 226 HB3 PRO 39 3HB PRO 39 -14.285 -12.296 -8.395 227 HG2 PRO 39 2HG PRO 39 -13.095 -9.955 -6.959 228 HG3 PRO 39 3HG PRO 39 -14.647 -10.075 -7.809 229 HD2 PRO 39 2HD PRO 39 -14.446 -10.244 -5.114 230 HD3 PRO 39 3HD PRO 39 -15.680 -11.126 -6.037 231 H ILE 40 H ILE 40 -11.803 -10.755 -5.913 232 HA ILE 40 HA ILE 40 -9.191 -11.784 -6.419 233 HB ILE 40 HB ILE 40 -8.399 -9.724 -5.267 234 HG12 ILE 40 2HG1 ILE 40 -10.559 -8.097 -5.026 235 HG13 ILE 40 3HG1 ILE 40 -11.258 -9.632 -4.519 236 HG21 ILE 40 1HG2 ILE 40 -10.334 -9.670 -7.532 237 HG22 ILE 40 2HG2 ILE 40 -9.694 -8.149 -6.914 238 HG23 ILE 40 3HG2 ILE 40 -8.594 -9.383 -7.529 239 HD11 ILE 40 1HD1 ILE 40 -9.302 -7.908 -3.177 240 HD12 ILE 40 2HD1 ILE 40 -10.507 -9.008 -2.505 241 HD13 ILE 40 3HD1 ILE 40 -8.969 -9.638 -3.095 242 H ILE 41 H ILE 41 -7.958 -13.003 -5.154 243 HA ILE 41 HA ILE 41 -8.823 -13.538 -2.421 244 HB ILE 41 HB ILE 41 -7.668 -15.516 -2.503 245 HG12 ILE 41 2HG1 ILE 41 -5.875 -14.860 -4.781 246 HG13 ILE 41 3HG1 ILE 41 -5.540 -14.061 -3.248 247 HG21 ILE 41 1HG2 ILE 41 -8.098 -16.583 -4.585 248 HG22 ILE 41 2HG2 ILE 41 -9.351 -15.364 -4.355 249 HG23 ILE 41 3HG2 ILE 41 -8.010 -15.053 -5.457 250 HD11 ILE 41 1HD1 ILE 41 -5.212 -16.874 -4.032 251 HD12 ILE 41 2HD1 ILE 41 -4.289 -15.890 -2.895 252 HD13 ILE 41 3HD1 ILE 41 -5.829 -16.595 -2.404 253 H ALA 42 H ALA 42 -6.939 -13.925 -0.828 254 HA ALA 42 HA ALA 42 -4.760 -12.013 -1.164 255 HB1 ALA 42 1HB ALA 42 -6.169 -11.853 1.438 256 HB2 ALA 42 2HB ALA 42 -5.303 -10.608 0.536 257 HB3 ALA 42 3HB ALA 42 -6.933 -11.074 0.051 258 H CYS 43 H CYS 43 -2.905 -12.784 -0.375 259 HA CYS 43 HA CYS 43 -2.985 -15.268 1.159 260 HB2 CYS 43 2HB CYS 43 -0.622 -13.872 -0.114 261 HB3 CYS 43 3HB CYS 43 -0.628 -15.491 0.577 262 H ASN 44 H ASN 44 -1.160 -15.506 2.818 263 HA ASN 44 HA ASN 44 -0.728 -13.023 4.317 264 HB2 ASN 44 2HB ASN 44 -1.645 -13.797 6.290 265 HB3 ASN 44 3HB ASN 44 -2.735 -14.530 5.116 266 HD21 ASN 44 1HD2 ASN 44 -1.059 -16.575 4.203 267 HD22 ASN 44 2HD2 ASN 44 -0.850 -17.718 5.481 268 H ARG 45 H ARG 45 0.935 -13.269 6.023 269 HA ARG 45 HA ARG 45 3.112 -14.928 5.022 270 HB2 ARG 45 2HB ARG 45 4.483 -13.608 6.666 271 HB3 ARG 45 3HB ARG 45 3.710 -12.651 5.409 272 HG2 ARG 45 2HG ARG 45 2.465 -11.507 6.874 273 HG3 ARG 45 3HG ARG 45 2.122 -12.936 7.851 274 HD2 ARG 45 2HD ARG 45 4.908 -12.132 8.007 275 HD3 ARG 45 3HD ARG 45 3.812 -10.848 8.518 276 HE ARG 45 HE ARG 45 4.367 -13.294 9.899 277 HH11 ARG 45 1HH1 ARG 45 1.977 -10.819 9.369 278 HH12 ARG 45 2HH1 ARG 45 1.180 -11.081 10.885 279 HH21 ARG 45 1HH2 ARG 45 3.326 -13.649 11.897 280 HH22 ARG 45 2HH2 ARG 45 1.948 -12.691 12.322 281 H ARG 46 H ARG 46 2.159 -16.936 5.766 282 HA ARG 46 HA ARG 46 2.732 -17.411 8.611 283 HB2 ARG 46 2HB ARG 46 0.265 -18.045 7.068 284 HB3 ARG 46 3HB ARG 46 0.806 -19.217 8.261 285 HG2 ARG 46 2HG ARG 46 0.443 -16.318 8.939 286 HG3 ARG 46 3HG ARG 46 -0.887 -17.477 9.011 287 HD2 ARG 46 2HD ARG 46 1.728 -17.867 10.450 288 HD3 ARG 46 3HD ARG 46 0.334 -17.071 11.179 289 HE ARG 46 HE ARG 46 -0.611 -19.474 10.257 290 HH11 ARG 46 1HH1 ARG 46 1.891 -18.448 12.450 291 HH12 ARG 46 2HH1 ARG 46 1.784 -19.865 13.441 292 HH21 ARG 46 1HH2 ARG 46 -0.761 -21.344 11.555 293 HH22 ARG 46 2HH2 ARG 46 0.276 -21.512 12.930 294 H THR 47 H THR 47 1.588 -19.548 6.022 295 HA THR 47 HA THR 47 4.196 -20.864 5.929 296 HB THR 47 HB THR 47 2.979 -22.110 7.640 297 HG1 THR 47 HG1 THR 47 3.305 -24.113 6.716 298 HG21 THR 47 1HG2 THR 47 0.979 -23.365 6.014 299 HG22 THR 47 2HG2 THR 47 0.750 -21.616 5.987 300 HG23 THR 47 3HG2 THR 47 0.785 -22.477 7.525 301 H GLY 48 H GLY 48 1.953 -19.377 4.248 302 HA2 GLY 48 2HA GLY 48 2.026 -19.324 1.860 303 HA3 GLY 48 3HA GLY 48 2.424 -21.036 1.867 304 H LYS 49 H LYS 49 -0.201 -18.879 2.949 305 HA LYS 49 HA LYS 49 -2.120 -20.561 1.545 306 HB2 LYS 49 2HB LYS 49 -3.336 -21.250 3.354 307 HB3 LYS 49 3HB LYS 49 -1.743 -21.198 4.098 308 HG2 LYS 49 2HG LYS 49 -2.256 -18.931 4.942 309 HG3 LYS 49 3HG LYS 49 -3.885 -19.090 4.281 310 HD2 LYS 49 2HD LYS 49 -2.729 -21.071 6.228 311 HD3 LYS 49 3HD LYS 49 -3.593 -19.624 6.750 312 HE2 LYS 49 2HE LYS 49 -5.611 -20.371 5.930 313 HE3 LYS 49 3HE LYS 49 -4.855 -21.424 4.735 314 HZ1 LYS 49 1HZ LYS 49 -5.927 -22.266 7.046 315 HZ2 LYS 49 2HZ LYS 49 -4.298 -22.128 7.480 316 HZ3 LYS 49 3HZ LYS 49 -4.746 -23.112 6.179 317 H CYS 50 H CYS 50 -3.926 -19.475 0.861 318 HA CYS 50 HA CYS 50 -4.159 -16.650 1.659 319 HB2 CYS 50 2HB CYS 50 -4.796 -17.572 -1.130 320 HB3 CYS 50 3HB CYS 50 -4.454 -15.943 -0.557 321 H GLN 51 H GLN 51 -6.389 -15.878 0.430 322 HA GLN 51 HA GLN 51 -8.532 -17.691 0.374 323 HB2 GLN 51 2HB GLN 51 -9.643 -17.306 2.443 324 HB3 GLN 51 3HB GLN 51 -7.987 -17.751 2.833 325 HG2 GLN 51 2HG GLN 51 -8.033 -14.949 2.591 326 HG3 GLN 51 3HG GLN 51 -9.441 -15.405 3.549 327 HE21 GLN 51 1HE2 GLN 51 -5.989 -16.167 3.256 328 HE22 GLN 51 2HE2 GLN 51 -5.690 -16.263 4.955 329 H ARG 52 H ARG 52 -10.583 -16.015 1.362 330 HA ARG 52 HA ARG 52 -10.671 -14.080 -0.784 331 HB2 ARG 52 2HB ARG 52 -12.997 -13.711 -0.038 332 HB3 ARG 52 3HB ARG 52 -12.652 -15.408 -0.341 333 HG2 ARG 52 2HG ARG 52 -13.675 -15.702 1.632 334 HG3 ARG 52 3HG ARG 52 -12.097 -15.269 2.293 335 HD2 ARG 52 2HD ARG 52 -12.775 -13.160 2.892 336 HD3 ARG 52 3HD ARG 52 -14.021 -13.091 1.647 337 HE ARG 52 HE ARG 52 -14.965 -14.995 3.286 338 HH11 ARG 52 1HH1 ARG 52 -13.727 -11.798 3.890 339 HH12 ARG 52 2HH1 ARG 52 -14.715 -11.537 5.289 340 HH21 ARG 52 1HH2 ARG 52 -16.271 -14.664 5.127 341 HH22 ARG 52 2HH2 ARG 52 -16.161 -13.169 5.993 342 H ALA 53 H ALA 53 -10.512 -11.914 -0.615 343 HA ALA 53 HA ALA 53 -10.979 -10.389 1.687 344 HB1 ALA 53 1HB ALA 53 -8.353 -11.625 1.559 345 HB2 ALA 53 2HB ALA 53 -8.270 -9.867 1.682 346 HB3 ALA 53 3HB ALA 53 -9.150 -10.795 2.896 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.495 1.024 -2.035 2 HA2 GLY 1 2HA GLY 1 2.905 -1.373 -2.963 3 HA3 GLY 1 3HA GLY 1 2.320 -0.242 -4.174 4 H SER 2 H SER 2 4.248 -0.295 -1.180 5 HA SER 2 HA SER 2 6.067 1.644 -2.451 6 HB2 SER 2 2HB SER 2 4.519 2.170 -0.241 7 HB3 SER 2 3HB SER 2 6.045 1.667 0.486 8 HG SER 2 HG SER 2 6.517 3.699 0.105 9 H LYS 3 H LYS 3 5.915 -0.632 0.293 10 HA LYS 3 HA LYS 3 8.634 -1.517 -0.422 11 HB2 LYS 3 2HB LYS 3 7.663 -0.478 2.032 12 HB3 LYS 3 3HB LYS 3 7.980 -2.190 2.286 13 HG2 LYS 3 2HG LYS 3 10.093 -0.755 0.846 14 HG3 LYS 3 3HG LYS 3 9.830 -0.223 2.508 15 HD2 LYS 3 2HD LYS 3 9.971 -3.146 1.969 16 HD3 LYS 3 3HD LYS 3 11.471 -2.217 1.929 17 HE2 LYS 3 2HE LYS 3 9.622 -1.819 4.225 18 HE3 LYS 3 3HE LYS 3 10.566 -3.307 4.163 19 HZ1 LYS 3 1HZ LYS 3 11.458 -1.055 5.244 20 HZ2 LYS 3 2HZ LYS 3 12.030 -0.847 3.666 21 HZ3 LYS 3 3HZ LYS 3 12.479 -2.215 4.555 22 H LYS 4 H LYS 4 9.131 -3.751 -0.065 23 HA LYS 4 HA LYS 4 6.747 -5.476 -0.196 24 HB2 LYS 4 2HB LYS 4 8.270 -7.089 -1.386 25 HB3 LYS 4 3HB LYS 4 7.930 -5.602 -2.262 26 HG2 LYS 4 2HG LYS 4 10.278 -5.267 -0.654 27 HG3 LYS 4 3HG LYS 4 10.430 -6.711 -1.657 28 HD2 LYS 4 2HD LYS 4 9.444 -5.027 -3.486 29 HD3 LYS 4 3HD LYS 4 10.252 -3.858 -2.438 30 HE2 LYS 4 2HE LYS 4 12.217 -5.628 -2.608 31 HE3 LYS 4 3HE LYS 4 11.397 -6.029 -4.117 32 HZ1 LYS 4 1HZ LYS 4 12.379 -4.293 -5.042 33 HZ2 LYS 4 2HZ LYS 4 13.104 -3.864 -3.576 34 HZ3 LYS 4 3HZ LYS 4 11.578 -3.254 -3.974 35 HA PRO 5 HA PRO 5 8.853 -6.560 3.769 36 HB2 PRO 5 2HB PRO 5 6.544 -6.931 5.147 37 HB3 PRO 5 3HB PRO 5 7.308 -5.348 4.962 38 HG2 PRO 5 2HG PRO 5 5.015 -6.534 3.446 39 HG3 PRO 5 3HG PRO 5 5.205 -4.889 4.081 40 HD2 PRO 5 2HD PRO 5 5.625 -5.503 1.477 41 HD3 PRO 5 3HD PRO 5 6.529 -4.226 2.314 42 H VAL 6 H VAL 6 6.643 -8.068 1.629 43 HA VAL 6 HA VAL 6 7.565 -10.689 2.470 44 HB VAL 6 HB VAL 6 4.980 -9.733 3.232 45 HG11 VAL 6 1HG1 VAL 6 4.220 -10.488 1.041 46 HG12 VAL 6 2HG1 VAL 6 4.924 -12.079 1.335 47 HG13 VAL 6 3HG1 VAL 6 3.574 -11.514 2.321 48 HG21 VAL 6 1HG2 VAL 6 5.076 -12.392 3.890 49 HG22 VAL 6 2HG2 VAL 6 6.783 -11.975 3.738 50 HG23 VAL 6 3HG2 VAL 6 5.752 -11.076 4.851 51 HA PRO 7 HA PRO 7 7.420 -11.492 -1.846 52 HB2 PRO 7 2HB PRO 7 7.085 -14.186 -1.846 53 HB3 PRO 7 3HB PRO 7 8.608 -13.407 -1.399 54 HG2 PRO 7 2HG PRO 7 6.447 -14.493 0.365 55 HG3 PRO 7 3HG PRO 7 8.206 -14.646 0.527 56 HD2 PRO 7 2HD PRO 7 6.760 -12.861 1.961 57 HD3 PRO 7 3HD PRO 7 8.430 -12.545 1.447 58 H ILE 8 H ILE 8 5.028 -13.583 -0.209 59 HA ILE 8 HA ILE 8 3.240 -13.635 -2.392 60 HB ILE 8 HB ILE 8 1.572 -14.473 -0.712 61 HG12 ILE 8 2HG1 ILE 8 3.068 -15.125 1.477 62 HG13 ILE 8 3HG1 ILE 8 3.697 -13.525 1.097 63 HG21 ILE 8 1HG2 ILE 8 2.407 -16.521 -1.026 64 HG22 ILE 8 2HG2 ILE 8 3.746 -15.711 -1.837 65 HG23 ILE 8 3HG2 ILE 8 3.884 -16.151 -0.135 66 HD11 ILE 8 1HD1 ILE 8 1.035 -14.337 2.081 67 HD12 ILE 8 2HD1 ILE 8 2.004 -12.911 2.456 68 HD13 ILE 8 3HD1 ILE 8 1.096 -12.988 0.947 69 H ILE 9 H ILE 9 1.807 -12.189 -3.077 70 HA ILE 9 HA ILE 9 1.372 -9.773 -1.517 71 HB ILE 9 HB ILE 9 0.778 -8.718 -3.449 72 HG12 ILE 9 2HG1 ILE 9 -0.016 -11.090 -5.043 73 HG13 ILE 9 3HG1 ILE 9 -1.077 -10.655 -3.707 74 HG21 ILE 9 1HG2 ILE 9 2.249 -9.323 -5.176 75 HG22 ILE 9 2HG2 ILE 9 3.008 -9.922 -3.701 76 HG23 ILE 9 3HG2 ILE 9 2.156 -11.036 -4.769 77 HD11 ILE 9 1HD1 ILE 9 -0.620 -9.316 -6.272 78 HD12 ILE 9 2HD1 ILE 9 -2.047 -9.343 -5.236 79 HD13 ILE 9 3HD1 ILE 9 -0.715 -8.245 -4.875 80 H ALA 10 H ALA 10 -0.932 -8.839 -1.668 81 HA ALA 10 HA ALA 10 -3.017 -10.866 -1.488 82 HB1 ALA 10 1HB ALA 10 -3.099 -9.005 0.776 83 HB2 ALA 10 2HB ALA 10 -3.421 -10.739 0.716 84 HB3 ALA 10 3HB ALA 10 -1.760 -10.154 0.815 85 H CYS 11 H CYS 11 -4.858 -10.153 -2.355 86 HA CYS 11 HA CYS 11 -5.053 -7.323 -3.055 87 HB2 CYS 11 2HB CYS 11 -6.767 -9.655 -3.940 88 HB3 CYS 11 3HB CYS 11 -6.826 -8.019 -4.588 89 H ASN 12 H ASN 12 -7.343 -6.403 -3.013 90 HA ASN 12 HA ASN 12 -8.849 -7.317 -0.669 91 HB2 ASN 12 2HB ASN 12 -8.800 -5.281 0.430 92 HB3 ASN 12 3HB ASN 12 -7.177 -5.333 -0.252 93 HD21 ASN 12 1HD2 ASN 12 -7.926 -4.774 -2.934 94 HD22 ASN 12 2HD2 ASN 12 -8.414 -3.118 -3.002 95 H ARG 13 H ARG 13 -11.013 -6.254 -0.529 96 HA ARG 13 HA ARG 13 -12.174 -6.126 -3.201 97 HB2 ARG 13 2HB ARG 13 -14.349 -6.221 -1.945 98 HB3 ARG 13 3HB ARG 13 -13.301 -7.614 -1.715 99 HG2 ARG 13 2HG ARG 13 -13.342 -7.320 0.475 100 HG3 ARG 13 3HG ARG 13 -12.715 -5.680 0.294 101 HD2 ARG 13 2HD ARG 13 -14.764 -4.731 0.482 102 HD3 ARG 13 3HD ARG 13 -15.575 -6.068 -0.332 103 HE ARG 13 HE ARG 13 -14.611 -6.829 2.237 104 HH11 ARG 13 1HH1 ARG 13 -17.173 -5.122 0.611 105 HH12 ARG 13 2HH1 ARG 13 -18.328 -5.388 1.874 106 HH21 ARG 13 1HH2 ARG 13 -16.123 -7.185 3.907 107 HH22 ARG 13 2HH2 ARG 13 -17.730 -6.560 3.749 108 H ARG 14 H ARG 14 -11.277 -4.011 -3.670 109 HA ARG 14 HA ARG 14 -12.940 -1.865 -2.539 110 HB2 ARG 14 2HB ARG 14 -9.971 -1.992 -2.798 111 HB3 ARG 14 3HB ARG 14 -10.761 -0.444 -3.070 112 HG2 ARG 14 2HG ARG 14 -11.254 -2.070 -0.598 113 HG3 ARG 14 3HG ARG 14 -9.917 -0.926 -0.726 114 HD2 ARG 14 2HD ARG 14 -12.705 -0.070 -1.392 115 HD3 ARG 14 3HD ARG 14 -12.183 -0.155 0.290 116 HE ARG 14 HE ARG 14 -10.246 1.291 -1.037 117 HH11 ARG 14 1HH1 ARG 14 -13.662 1.576 -0.428 118 HH12 ARG 14 2HH1 ARG 14 -13.654 3.309 -0.455 119 HH21 ARG 14 1HH2 ARG 14 -10.223 3.571 -1.074 120 HH22 ARG 14 2HH2 ARG 14 -11.698 4.442 -0.823 121 H THR 15 H THR 15 -10.381 -1.851 -4.994 122 HA THR 15 HA THR 15 -12.364 -1.448 -7.100 123 HB THR 15 HB THR 15 -11.869 0.822 -6.361 124 HG1 THR 15 HG1 THR 15 -11.019 1.581 -8.416 125 HG21 THR 15 1HG2 THR 15 -9.840 1.511 -5.731 126 HG22 THR 15 2HG2 THR 15 -9.116 0.962 -7.242 127 HG23 THR 15 3HG2 THR 15 -9.305 -0.161 -5.896 128 H GLY 16 H GLY 16 -9.934 -3.216 -6.108 129 HA2 GLY 16 2HA GLY 16 -8.921 -4.838 -7.544 130 HA3 GLY 16 3HA GLY 16 -8.928 -3.647 -8.837 131 H LYS 17 H LYS 17 -7.595 -4.002 -5.547 132 HA LYS 17 HA LYS 17 -4.948 -3.366 -6.592 133 HB2 LYS 17 2HB LYS 17 -4.588 -1.457 -5.386 134 HB3 LYS 17 3HB LYS 17 -6.318 -1.290 -5.658 135 HG2 LYS 17 2HG LYS 17 -6.724 -2.301 -3.439 136 HG3 LYS 17 3HG LYS 17 -4.980 -2.334 -3.171 137 HD2 LYS 17 2HD LYS 17 -5.646 -0.370 -2.115 138 HD3 LYS 17 3HD LYS 17 -5.076 0.191 -3.689 139 HE2 LYS 17 2HE LYS 17 -7.344 0.319 -4.508 140 HE3 LYS 17 3HE LYS 17 -7.959 -0.377 -3.009 141 HZ1 LYS 17 1HZ LYS 17 -7.289 1.554 -1.811 142 HZ2 LYS 17 2HZ LYS 17 -8.176 2.072 -3.155 143 HZ3 LYS 17 3HZ LYS 17 -6.489 2.197 -3.156 144 H CYS 18 H CYS 18 -3.287 -4.286 -5.451 145 HA CYS 18 HA CYS 18 -4.020 -5.807 -3.037 146 HB2 CYS 18 2HB CYS 18 -1.961 -6.803 -4.985 147 HB3 CYS 18 3HB CYS 18 -2.855 -7.704 -3.765 148 H GLN 19 H GLN 19 -1.658 -6.761 -2.231 149 HA GLN 19 HA GLN 19 0.458 -4.845 -2.350 150 HB2 GLN 19 2HB GLN 19 0.381 -4.264 0.085 151 HB3 GLN 19 3HB GLN 19 -0.919 -3.564 -0.870 152 HG2 GLN 19 2HG GLN 19 -1.923 -4.310 1.108 153 HG3 GLN 19 3HG GLN 19 -2.344 -5.509 -0.113 154 HE21 GLN 19 1HE2 GLN 19 -1.677 -7.578 0.126 155 HE22 GLN 19 2HE2 GLN 19 -0.793 -8.158 1.491 156 H ARG 20 H ARG 20 1.756 -5.398 0.024 157 HA ARG 20 HA ARG 20 2.159 -8.312 -0.154 158 HB2 ARG 20 2HB ARG 20 4.165 -6.096 0.265 159 HB3 ARG 20 3HB ARG 20 4.535 -7.791 0.549 160 HG2 ARG 20 2HG ARG 20 4.881 -8.161 -1.610 161 HG3 ARG 20 3HG ARG 20 3.352 -7.399 -2.055 162 HD2 ARG 20 2HD ARG 20 5.070 -5.322 -1.262 163 HD3 ARG 20 3HD ARG 20 6.027 -6.387 -2.291 164 HE ARG 20 HE ARG 20 4.733 -5.773 -4.091 165 HH11 ARG 20 1HH1 ARG 20 3.263 -4.647 -1.143 166 HH12 ARG 20 2HH1 ARG 20 2.094 -3.655 -1.952 167 HH21 ARG 20 1HH2 ARG 20 3.200 -4.472 -5.167 168 HH22 ARG 20 2HH2 ARG 20 2.058 -3.557 -4.240 169 H ALA 21 H ALA 21 2.257 -9.477 1.703 170 HA ALA 21 HA ALA 21 2.122 -10.006 3.916 171 HB1 ALA 21 1HB ALA 21 2.738 -7.213 4.755 172 HB2 ALA 21 2HB ALA 21 3.269 -8.744 5.452 173 HB3 ALA 21 3HB ALA 21 3.987 -8.163 3.950 174 H1 GLY 33 H GLY 33 -11.462 -18.781 3.541 175 HA2 GLY 33 2HA GLY 33 -11.031 -20.581 2.116 176 HA3 GLY 33 3HA GLY 33 -10.468 -21.510 3.497 177 H SER 34 H SER 34 -13.501 -19.924 3.812 178 HA SER 34 HA SER 34 -14.866 -22.510 3.442 179 HB2 SER 34 2HB SER 34 -15.161 -20.372 5.512 180 HB3 SER 34 3HB SER 34 -16.581 -21.318 5.065 181 HG SER 34 HG SER 34 -15.815 -22.862 6.246 182 H LYS 35 H LYS 35 -15.478 -18.998 3.404 183 HA LYS 35 HA LYS 35 -17.421 -19.456 1.235 184 HB2 LYS 35 2HB LYS 35 -17.736 -18.110 3.698 185 HB3 LYS 35 3HB LYS 35 -17.712 -16.868 2.453 186 HG2 LYS 35 2HG LYS 35 -19.403 -18.512 1.272 187 HG3 LYS 35 3HG LYS 35 -19.676 -19.040 2.934 188 HD2 LYS 35 2HD LYS 35 -19.737 -16.135 2.173 189 HD3 LYS 35 3HD LYS 35 -21.162 -17.164 2.011 190 HE2 LYS 35 2HE LYS 35 -19.666 -17.115 4.594 191 HE3 LYS 35 3HE LYS 35 -20.754 -15.786 4.200 192 HZ1 LYS 35 1HZ LYS 35 -22.493 -17.523 3.804 193 HZ2 LYS 35 2HZ LYS 35 -22.000 -17.359 5.414 194 HZ3 LYS 35 3HZ LYS 35 -21.436 -18.655 4.484 195 H LYS 36 H LYS 36 -17.488 -17.941 -0.484 196 HA LYS 36 HA LYS 36 -14.967 -16.459 -0.837 197 HB2 LYS 36 2HB LYS 36 -16.743 -17.383 -3.084 198 HB3 LYS 36 3HB LYS 36 -15.054 -16.898 -3.155 199 HG2 LYS 36 2HG LYS 36 -14.574 -19.066 -3.125 200 HG3 LYS 36 3HG LYS 36 -15.027 -19.038 -1.419 201 HD2 LYS 36 2HD LYS 36 -16.272 -20.798 -2.361 202 HD3 LYS 36 3HD LYS 36 -17.411 -19.458 -2.208 203 HE2 LYS 36 2HE LYS 36 -17.011 -18.898 -4.581 204 HE3 LYS 36 3HE LYS 36 -15.953 -20.301 -4.711 205 HZ1 LYS 36 1HZ LYS 36 -17.688 -21.726 -4.704 206 HZ2 LYS 36 2HZ LYS 36 -18.514 -20.388 -5.324 207 HZ3 LYS 36 3HZ LYS 36 -18.638 -20.770 -3.681 208 HA PRO 37 HA PRO 37 -18.297 -13.264 -0.632 209 HB2 PRO 37 2HB PRO 37 -16.796 -11.475 0.753 210 HB3 PRO 37 3HB PRO 37 -17.726 -12.759 1.535 211 HG2 PRO 37 2HG PRO 37 -14.806 -12.664 0.883 212 HG3 PRO 37 3HG PRO 37 -15.604 -13.236 2.359 213 HD2 PRO 37 2HD PRO 37 -14.707 -14.924 0.442 214 HD3 PRO 37 3HD PRO 37 -16.138 -15.277 1.431 215 H VAL 38 H VAL 38 -15.107 -13.463 -1.869 216 HA VAL 38 HA VAL 38 -15.712 -11.425 -3.846 217 HB VAL 38 HB VAL 38 -13.994 -10.852 -1.635 218 HG11 VAL 38 1HG1 VAL 38 -12.207 -11.875 -2.936 219 HG12 VAL 38 2HG1 VAL 38 -12.608 -10.850 -4.315 220 HG13 VAL 38 3HG1 VAL 38 -11.982 -10.129 -2.831 221 HG21 VAL 38 1HG2 VAL 38 -13.784 -8.747 -3.378 222 HG22 VAL 38 2HG2 VAL 38 -15.301 -9.501 -3.870 223 HG23 VAL 38 3HG2 VAL 38 -15.078 -8.976 -2.201 224 HA PRO 39 HA PRO 39 -13.538 -14.176 -6.493 225 HB2 PRO 39 2HB PRO 39 -12.686 -12.453 -8.410 226 HB3 PRO 39 3HB PRO 39 -14.375 -12.945 -8.244 227 HG2 PRO 39 2HG PRO 39 -13.029 -10.443 -7.300 228 HG3 PRO 39 3HG PRO 39 -14.608 -10.637 -8.084 229 HD2 PRO 39 2HD PRO 39 -14.340 -10.305 -5.410 230 HD3 PRO 39 3HD PRO 39 -15.643 -11.276 -6.126 231 H ILE 40 H ILE 40 -11.723 -11.104 -6.299 232 HA ILE 40 HA ILE 40 -9.195 -12.304 -6.639 233 HB ILE 40 HB ILE 40 -8.306 -10.129 -5.720 234 HG12 ILE 40 2HG1 ILE 40 -10.517 -8.477 -5.885 235 HG13 ILE 40 3HG1 ILE 40 -11.132 -9.875 -5.011 236 HG21 ILE 40 1HG2 ILE 40 -8.895 -10.648 -8.143 237 HG22 ILE 40 2HG2 ILE 40 -10.350 -9.688 -7.875 238 HG23 ILE 40 3HG2 ILE 40 -8.760 -8.947 -7.698 239 HD11 ILE 40 1HD1 ILE 40 -10.340 -8.216 -3.461 240 HD12 ILE 40 2HD1 ILE 40 -9.291 -9.633 -3.396 241 HD13 ILE 40 3HD1 ILE 40 -8.764 -8.183 -4.251 242 H ILE 41 H ILE 41 -7.913 -13.347 -5.263 243 HA ILE 41 HA ILE 41 -8.721 -13.569 -2.476 244 HB ILE 41 HB ILE 41 -7.516 -15.514 -2.349 245 HG12 ILE 41 2HG1 ILE 41 -5.753 -15.067 -4.700 246 HG13 ILE 41 3HG1 ILE 41 -5.430 -14.098 -3.266 247 HG21 ILE 41 1HG2 ILE 41 -7.811 -15.465 -5.337 248 HG22 ILE 41 2HG2 ILE 41 -8.011 -16.823 -4.231 249 HG23 ILE 41 3HG2 ILE 41 -9.205 -15.526 -4.259 250 HD11 ILE 41 1HD1 ILE 41 -4.212 -15.809 -2.558 251 HD12 ILE 41 2HD1 ILE 41 -5.735 -16.653 -2.274 252 HD13 ILE 41 3HD1 ILE 41 -4.867 -16.886 -3.792 253 H ALA 42 H ALA 42 -6.780 -13.759 -0.888 254 HA ALA 42 HA ALA 42 -4.634 -11.881 -1.449 255 HB1 ALA 42 1HB ALA 42 -5.272 -10.188 -0.125 256 HB2 ALA 42 2HB ALA 42 -6.891 -10.858 -0.329 257 HB3 ALA 42 3HB ALA 42 -5.941 -11.266 1.100 258 H CYS 43 H CYS 43 -2.797 -12.522 -0.513 259 HA CYS 43 HA CYS 43 -2.912 -14.750 1.369 260 HB2 CYS 43 2HB CYS 43 -0.518 -13.543 -0.031 261 HB3 CYS 43 3HB CYS 43 -0.542 -15.047 0.884 262 H ASN 44 H ASN 44 -1.113 -14.732 3.081 263 HA ASN 44 HA ASN 44 -0.727 -12.057 4.216 264 HB2 ASN 44 2HB ASN 44 -1.715 -12.525 6.243 265 HB3 ASN 44 3HB ASN 44 -2.749 -13.469 5.174 266 HD21 ASN 44 1HD2 ASN 44 -1.089 -15.617 4.654 267 HD22 ASN 44 2HD2 ASN 44 -0.863 -16.519 6.110 268 H ARG 45 H ARG 45 0.894 -12.042 5.977 269 HA ARG 45 HA ARG 45 3.104 -13.802 5.275 270 HB2 ARG 45 2HB ARG 45 4.416 -12.271 6.776 271 HB3 ARG 45 3HB ARG 45 3.671 -11.486 5.390 272 HG2 ARG 45 2HG ARG 45 2.399 -10.170 6.670 273 HG3 ARG 45 3HG ARG 45 2.001 -11.479 7.786 274 HD2 ARG 45 2HD ARG 45 4.428 -11.206 8.615 275 HD3 ARG 45 3HD ARG 45 4.375 -9.649 7.790 276 HE ARG 45 HE ARG 45 3.079 -10.347 10.252 277 HH11 ARG 45 1HH1 ARG 45 2.982 -8.251 7.474 278 HH12 ARG 45 2HH1 ARG 45 2.090 -7.005 8.283 279 HH21 ARG 45 1HH2 ARG 45 1.904 -8.714 11.327 280 HH22 ARG 45 2HH2 ARG 45 1.478 -7.269 10.475 281 H ARG 46 H ARG 46 2.125 -15.707 6.238 282 HA ARG 46 HA ARG 46 2.617 -15.815 9.137 283 HB2 ARG 46 2HB ARG 46 0.449 -16.231 9.480 284 HB3 ARG 46 3HB ARG 46 0.134 -16.275 7.751 285 HG2 ARG 46 2HG ARG 46 0.663 -18.609 7.651 286 HG3 ARG 46 3HG ARG 46 1.199 -18.602 9.332 287 HD2 ARG 46 2HD ARG 46 -1.103 -17.964 10.007 288 HD3 ARG 46 3HD ARG 46 -1.602 -18.128 8.324 289 HE ARG 46 HE ARG 46 -1.632 -20.398 8.597 290 HH11 ARG 46 1HH1 ARG 46 0.196 -18.969 11.193 291 HH12 ARG 46 2HH1 ARG 46 0.362 -20.455 12.068 292 HH21 ARG 46 1HH2 ARG 46 -1.421 -22.360 9.741 293 HH22 ARG 46 2HH2 ARG 46 -0.558 -22.383 11.241 294 H THR 47 H THR 47 2.277 -17.671 6.134 295 HA THR 47 HA THR 47 4.652 -19.125 6.517 296 HB THR 47 HB THR 47 3.313 -20.227 8.303 297 HG1 THR 47 HG1 THR 47 4.128 -22.172 7.771 298 HG21 THR 47 1HG2 THR 47 1.251 -20.116 6.474 299 HG22 THR 47 2HG2 THR 47 1.254 -21.045 7.973 300 HG23 THR 47 3HG2 THR 47 1.715 -21.817 6.457 301 H GLY 48 H GLY 48 1.589 -18.669 4.971 302 HA2 GLY 48 2HA GLY 48 2.061 -18.592 2.433 303 HA3 GLY 48 3HA GLY 48 2.448 -20.289 2.670 304 H LYS 49 H LYS 49 -0.173 -18.037 3.557 305 HA LYS 49 HA LYS 49 -2.096 -19.862 2.334 306 HB2 LYS 49 2HB LYS 49 -3.346 -20.271 4.218 307 HB3 LYS 49 3HB LYS 49 -1.735 -20.219 4.922 308 HG2 LYS 49 2HG LYS 49 -2.109 -17.878 5.565 309 HG3 LYS 49 3HG LYS 49 -3.742 -17.973 4.900 310 HD2 LYS 49 2HD LYS 49 -2.799 -19.904 6.994 311 HD3 LYS 49 3HD LYS 49 -3.429 -18.315 7.433 312 HE2 LYS 49 2HE LYS 49 -5.484 -19.147 7.303 313 HE3 LYS 49 3HE LYS 49 -5.239 -19.393 5.575 314 HZ1 LYS 49 1HZ LYS 49 -5.701 -21.509 6.199 315 HZ2 LYS 49 2HZ LYS 49 -5.094 -21.319 7.766 316 HZ3 LYS 49 3HZ LYS 49 -4.031 -21.541 6.469 317 H CYS 50 H CYS 50 -3.922 -18.869 1.547 318 HA CYS 50 HA CYS 50 -4.148 -15.966 1.982 319 HB2 CYS 50 2HB CYS 50 -4.804 -17.177 -0.681 320 HB3 CYS 50 3HB CYS 50 -4.378 -15.514 -0.291 321 H GLN 51 H GLN 51 -6.371 -15.367 0.626 322 HA GLN 51 HA GLN 51 -8.491 -17.240 0.952 323 HB2 GLN 51 2HB GLN 51 -9.690 -16.155 2.762 324 HB3 GLN 51 3HB GLN 51 -8.102 -16.664 3.319 325 HG2 GLN 51 2HG GLN 51 -8.041 -13.966 2.299 326 HG3 GLN 51 3HG GLN 51 -9.242 -14.149 3.576 327 HE21 GLN 51 1HE2 GLN 51 -5.856 -14.646 2.767 328 HE22 GLN 51 2HE2 GLN 51 -5.262 -14.537 4.386 329 H ARG 52 H ARG 52 -10.691 -15.805 1.006 330 HA ARG 52 HA ARG 52 -10.499 -14.199 -1.405 331 HB2 ARG 52 2HB ARG 52 -12.808 -15.291 0.191 332 HB3 ARG 52 3HB ARG 52 -13.046 -14.154 -1.129 333 HG2 ARG 52 2HG ARG 52 -13.172 -15.936 -2.449 334 HG3 ARG 52 3HG ARG 52 -11.425 -16.074 -2.246 335 HD2 ARG 52 2HD ARG 52 -13.240 -17.283 -0.209 336 HD3 ARG 52 3HD ARG 52 -12.991 -18.112 -1.745 337 HE ARG 52 HE ARG 52 -11.108 -17.852 0.411 338 HH11 ARG 52 1HH1 ARG 52 -11.495 -18.380 -3.008 339 HH12 ARG 52 2HH1 ARG 52 -9.977 -19.197 -3.186 340 HH21 ARG 52 1HH2 ARG 52 -9.108 -18.926 0.190 341 HH22 ARG 52 2HH2 ARG 52 -8.621 -19.507 -1.366 342 H ALA 53 H ALA 53 -10.434 -12.054 -1.433 343 HA ALA 53 HA ALA 53 -10.526 -9.874 -0.785 344 HB1 ALA 53 1HB ALA 53 -12.925 -11.100 0.306 345 HB2 ALA 53 2HB ALA 53 -12.396 -9.695 1.233 346 HB3 ALA 53 3HB ALA 53 -12.712 -9.543 -0.495 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.327 -1.683 -3.910 2 HA2 GLY 1 2HA GLY 1 1.392 0.550 -3.859 3 HA3 GLY 1 3HA GLY 1 1.690 -0.448 -2.444 4 H SER 2 H SER 2 3.545 -0.145 -1.234 5 HA SER 2 HA SER 2 5.356 2.003 -2.081 6 HB2 SER 2 2HB SER 2 3.853 3.155 -0.632 7 HB3 SER 2 3HB SER 2 3.866 1.839 0.542 8 HG SER 2 HG SER 2 5.886 3.722 -0.033 9 H LYS 3 H LYS 3 4.742 -0.491 0.379 10 HA LYS 3 HA LYS 3 7.568 -1.262 0.193 11 HB2 LYS 3 2HB LYS 3 6.763 0.169 2.303 12 HB3 LYS 3 3HB LYS 3 6.275 -1.424 2.868 13 HG2 LYS 3 2HG LYS 3 8.667 -2.143 2.280 14 HG3 LYS 3 3HG LYS 3 9.022 -0.415 2.232 15 HD2 LYS 3 2HD LYS 3 9.094 -0.305 4.455 16 HD3 LYS 3 3HD LYS 3 7.515 -1.080 4.597 17 HE2 LYS 3 2HE LYS 3 9.046 -3.204 3.941 18 HE3 LYS 3 3HE LYS 3 10.224 -2.225 4.814 19 HZ1 LYS 3 1HZ LYS 3 9.105 -3.703 6.323 20 HZ2 LYS 3 2HZ LYS 3 7.588 -3.133 5.838 21 HZ3 LYS 3 3HZ LYS 3 8.648 -2.112 6.673 22 H LYS 4 H LYS 4 7.985 -3.441 0.430 23 HA LYS 4 HA LYS 4 5.607 -5.176 0.573 24 HB2 LYS 4 2HB LYS 4 7.019 -6.803 -0.757 25 HB3 LYS 4 3HB LYS 4 6.504 -5.357 -1.615 26 HG2 LYS 4 2HG LYS 4 9.121 -5.196 -0.269 27 HG3 LYS 4 3HG LYS 4 9.016 -6.295 -1.646 28 HD2 LYS 4 2HD LYS 4 8.615 -4.602 -3.139 29 HD3 LYS 4 3HD LYS 4 7.870 -3.561 -1.925 30 HE2 LYS 4 2HE LYS 4 10.697 -4.151 -1.435 31 HE3 LYS 4 3HE LYS 4 10.393 -3.262 -2.927 32 HZ1 LYS 4 1HZ LYS 4 10.454 -1.506 -1.550 33 HZ2 LYS 4 2HZ LYS 4 10.086 -2.414 -0.171 34 HZ3 LYS 4 3HZ LYS 4 8.849 -1.926 -1.216 35 HA PRO 5 HA PRO 5 8.182 -6.193 4.269 36 HB2 PRO 5 2HB PRO 5 6.056 -6.571 5.915 37 HB3 PRO 5 3HB PRO 5 6.774 -4.982 5.622 38 HG2 PRO 5 2HG PRO 5 4.332 -6.211 4.403 39 HG3 PRO 5 3HG PRO 5 4.576 -4.557 4.991 40 HD2 PRO 5 2HD PRO 5 4.691 -5.200 2.364 41 HD3 PRO 5 3HD PRO 5 5.673 -3.902 3.073 42 H VAL 6 H VAL 6 5.061 -7.708 3.423 43 HA VAL 6 HA VAL 6 6.231 -10.331 4.047 44 HB VAL 6 HB VAL 6 3.645 -9.194 4.519 45 HG11 VAL 6 1HG1 VAL 6 3.003 -10.150 2.371 46 HG12 VAL 6 2HG1 VAL 6 3.623 -11.724 2.874 47 HG13 VAL 6 3HG1 VAL 6 2.232 -11.018 3.699 48 HG21 VAL 6 1HG2 VAL 6 4.277 -10.374 6.319 49 HG22 VAL 6 2HG2 VAL 6 3.555 -11.746 5.479 50 HG23 VAL 6 3HG2 VAL 6 5.292 -11.461 5.373 51 HA PRO 7 HA PRO 7 6.340 -11.530 -0.177 52 HB2 PRO 7 2HB PRO 7 5.896 -14.199 0.050 53 HB3 PRO 7 3HB PRO 7 7.417 -13.434 0.526 54 HG2 PRO 7 2HG PRO 7 5.103 -14.271 2.230 55 HG3 PRO 7 3HG PRO 7 6.840 -14.469 2.527 56 HD2 PRO 7 2HD PRO 7 5.379 -12.506 3.686 57 HD3 PRO 7 3HD PRO 7 7.090 -12.298 3.260 58 H ILE 8 H ILE 8 3.756 -13.348 1.492 59 HA ILE 8 HA ILE 8 2.114 -13.544 -0.803 60 HB ILE 8 HB ILE 8 0.319 -14.203 0.805 61 HG12 ILE 8 2HG1 ILE 8 1.576 -14.654 3.174 62 HG13 ILE 8 3HG1 ILE 8 2.314 -13.128 2.698 63 HG21 ILE 8 1HG2 ILE 8 3.005 -15.544 1.050 64 HG22 ILE 8 2HG2 ILE 8 1.487 -16.257 1.593 65 HG23 ILE 8 3HG2 ILE 8 1.732 -15.902 -0.117 66 HD11 ILE 8 1HD1 ILE 8 -0.226 -12.497 2.248 67 HD12 ILE 8 2HD1 ILE 8 -0.467 -13.728 3.489 68 HD13 ILE 8 3HD1 ILE 8 0.536 -12.318 3.829 69 H ILE 9 H ILE 9 0.744 -12.140 -1.684 70 HA ILE 9 HA ILE 9 0.294 -9.589 -0.342 71 HB ILE 9 HB ILE 9 -0.128 -8.650 -2.389 72 HG12 ILE 9 2HG1 ILE 9 -0.701 -11.126 -3.915 73 HG13 ILE 9 3HG1 ILE 9 -1.915 -10.640 -2.737 74 HG21 ILE 9 1HG2 ILE 9 2.100 -10.063 -2.256 75 HG22 ILE 9 2HG2 ILE 9 1.348 -10.927 -3.596 76 HG23 ILE 9 3HG2 ILE 9 1.644 -9.194 -3.721 77 HD11 ILE 9 1HD1 ILE 9 -2.721 -9.450 -4.453 78 HD12 ILE 9 2HD1 ILE 9 -1.473 -8.293 -3.989 79 HD13 ILE 9 3HD1 ILE 9 -1.176 -9.430 -5.303 80 H ALA 10 H ALA 10 -1.957 -8.602 -0.802 81 HA ALA 10 HA ALA 10 -4.117 -10.551 -0.690 82 HB1 ALA 10 1HB ALA 10 -4.838 -10.146 1.428 83 HB2 ALA 10 2HB ALA 10 -3.113 -9.877 1.675 84 HB3 ALA 10 3HB ALA 10 -4.196 -8.504 1.453 85 H CYS 11 H CYS 11 -5.863 -9.840 -1.745 86 HA CYS 11 HA CYS 11 -5.871 -7.079 -2.690 87 HB2 CYS 11 2HB CYS 11 -7.681 -9.368 -3.486 88 HB3 CYS 11 3HB CYS 11 -7.530 -7.815 -4.302 89 H ASN 12 H ASN 12 -8.136 -6.084 -2.916 90 HA ASN 12 HA ASN 12 -9.806 -6.682 -0.579 91 HB2 ASN 12 2HB ASN 12 -9.761 -4.527 0.266 92 HB3 ASN 12 3HB ASN 12 -8.103 -4.701 -0.302 93 HD21 ASN 12 1HD2 ASN 12 -8.748 -4.479 -3.087 94 HD22 ASN 12 2HD2 ASN 12 -9.150 -2.824 -3.381 95 H ARG 13 H ARG 13 -11.942 -5.557 -0.696 96 HA ARG 13 HA ARG 13 -12.946 -5.729 -3.429 97 HB2 ARG 13 2HB ARG 13 -15.191 -5.619 -2.298 98 HB3 ARG 13 3HB ARG 13 -14.201 -7.003 -1.853 99 HG2 ARG 13 2HG ARG 13 -14.065 -6.374 0.292 100 HG3 ARG 13 3HG ARG 13 -13.870 -4.668 -0.116 101 HD2 ARG 13 2HD ARG 13 -15.969 -5.207 1.128 102 HD3 ARG 13 3HD ARG 13 -16.220 -4.396 -0.417 103 HE ARG 13 HE ARG 13 -17.368 -6.233 -1.129 104 HH11 ARG 13 1HH1 ARG 13 -15.360 -7.152 1.562 105 HH12 ARG 13 2HH1 ARG 13 -15.993 -8.762 1.653 106 HH21 ARG 13 1HH2 ARG 13 -18.209 -8.350 -1.020 107 HH22 ARG 13 2HH2 ARG 13 -17.613 -9.443 0.183 108 H ARG 14 H ARG 14 -11.963 -3.706 -4.091 109 HA ARG 14 HA ARG 14 -13.628 -1.405 -3.330 110 HB2 ARG 14 2HB ARG 14 -10.651 -1.615 -3.394 111 HB3 ARG 14 3HB ARG 14 -11.393 -0.093 -3.866 112 HG2 ARG 14 2HG ARG 14 -12.029 -1.456 -1.268 113 HG3 ARG 14 3HG ARG 14 -10.692 -0.319 -1.448 114 HD2 ARG 14 2HD ARG 14 -12.564 1.198 -2.507 115 HD3 ARG 14 3HD ARG 14 -13.630 0.162 -1.559 116 HE ARG 14 HE ARG 14 -11.454 1.192 -0.018 117 HH11 ARG 14 1HH1 ARG 14 -14.606 1.937 -1.296 118 HH12 ARG 14 2HH1 ARG 14 -14.967 3.112 -0.075 119 HH21 ARG 14 1HH2 ARG 14 -11.918 2.737 1.595 120 HH22 ARG 14 2HH2 ARG 14 -13.437 3.566 1.568 121 H THR 15 H THR 15 -10.920 -1.739 -5.595 122 HA THR 15 HA THR 15 -12.756 -1.541 -7.859 123 HB THR 15 HB THR 15 -12.225 0.786 -7.362 124 HG1 THR 15 HG1 THR 15 -11.038 1.187 -9.448 125 HG21 THR 15 1HG2 THR 15 -9.452 0.845 -8.074 126 HG22 THR 15 2HG2 THR 15 -9.681 -0.250 -6.710 127 HG23 THR 15 3HG2 THR 15 -10.231 1.422 -6.601 128 H GLY 16 H GLY 16 -10.443 -3.234 -6.505 129 HA2 GLY 16 2HA GLY 16 -9.402 -5.048 -7.663 130 HA3 GLY 16 3HA GLY 16 -9.300 -4.031 -9.093 131 H LYS 17 H LYS 17 -8.149 -4.043 -5.718 132 HA LYS 17 HA LYS 17 -5.438 -3.569 -6.683 133 HB2 LYS 17 2HB LYS 17 -5.089 -1.556 -5.649 134 HB3 LYS 17 3HB LYS 17 -6.792 -1.379 -6.052 135 HG2 LYS 17 2HG LYS 17 -7.373 -2.136 -3.774 136 HG3 LYS 17 3HG LYS 17 -5.652 -2.193 -3.386 137 HD2 LYS 17 2HD LYS 17 -6.043 -0.089 -2.653 138 HD3 LYS 17 3HD LYS 17 -5.819 0.308 -4.359 139 HE2 LYS 17 2HE LYS 17 -8.437 -0.283 -4.371 140 HE3 LYS 17 3HE LYS 17 -8.275 0.289 -2.711 141 HZ1 LYS 17 1HZ LYS 17 -6.941 2.001 -4.562 142 HZ2 LYS 17 2HZ LYS 17 -8.115 2.378 -3.405 143 HZ3 LYS 17 3HZ LYS 17 -8.583 1.843 -4.940 144 H CYS 18 H CYS 18 -3.856 -4.386 -5.361 145 HA CYS 18 HA CYS 18 -4.724 -5.586 -2.818 146 HB2 CYS 18 2HB CYS 18 -2.698 -6.960 -4.550 147 HB3 CYS 18 3HB CYS 18 -3.720 -7.636 -3.287 148 H GLN 19 H GLN 19 -2.434 -6.579 -1.860 149 HA GLN 19 HA GLN 19 -0.144 -4.959 -2.196 150 HB2 GLN 19 2HB GLN 19 -0.194 -3.637 -0.184 151 HB3 GLN 19 3HB GLN 19 -1.644 -3.292 -1.117 152 HG2 GLN 19 2HG GLN 19 -2.234 -5.425 0.653 153 HG3 GLN 19 3HG GLN 19 -1.426 -4.156 1.572 154 HE21 GLN 19 1HE2 GLN 19 -3.999 -4.632 -0.813 155 HE22 GLN 19 2HE2 GLN 19 -5.045 -3.408 -0.187 156 H ARG 20 H ARG 20 1.246 -5.162 0.002 157 HA ARG 20 HA ARG 20 1.424 -8.026 0.442 158 HB2 ARG 20 2HB ARG 20 3.208 -5.728 1.257 159 HB3 ARG 20 3HB ARG 20 3.534 -7.408 1.662 160 HG2 ARG 20 2HG ARG 20 3.399 -6.203 -1.092 161 HG3 ARG 20 3HG ARG 20 4.834 -6.794 -0.253 162 HD2 ARG 20 2HD ARG 20 3.178 -8.969 -0.170 163 HD3 ARG 20 3HD ARG 20 2.778 -8.258 -1.733 164 HE ARG 20 HE ARG 20 5.149 -9.664 -1.070 165 HH11 ARG 20 1HH1 ARG 20 3.969 -6.981 -2.949 166 HH12 ARG 20 2HH1 ARG 20 5.238 -7.079 -4.125 167 HH21 ARG 20 1HH2 ARG 20 6.824 -9.803 -2.612 168 HH22 ARG 20 2HH2 ARG 20 6.860 -8.685 -3.933 169 H ALA 21 H ALA 21 0.692 -9.048 2.185 170 HA ALA 21 HA ALA 21 -0.740 -7.676 4.218 171 HB1 ALA 21 1HB ALA 21 -1.391 -9.745 4.971 172 HB2 ALA 21 2HB ALA 21 -0.987 -10.113 3.293 173 HB3 ALA 21 3HB ALA 21 0.157 -10.495 4.580 174 H1 GLY 33 H GLY 33 -10.991 -21.234 0.735 175 HA2 GLY 33 2HA GLY 33 -10.929 -21.188 3.686 176 HA3 GLY 33 3HA GLY 33 -11.597 -19.909 2.683 177 H SER 34 H SER 34 -13.649 -19.886 3.483 178 HA SER 34 HA SER 34 -15.190 -22.386 3.244 179 HB2 SER 34 2HB SER 34 -15.615 -20.001 5.055 180 HB3 SER 34 3HB SER 34 -16.772 -21.320 4.880 181 HG SER 34 HG SER 34 -15.483 -21.790 6.624 182 H LYS 35 H LYS 35 -15.923 -18.897 3.286 183 HA LYS 35 HA LYS 35 -17.680 -19.338 0.963 184 HB2 LYS 35 2HB LYS 35 -17.817 -17.198 3.096 185 HB3 LYS 35 3HB LYS 35 -18.894 -17.312 1.710 186 HG2 LYS 35 2HG LYS 35 -18.636 -19.617 3.591 187 HG3 LYS 35 3HG LYS 35 -19.649 -18.233 4.012 188 HD2 LYS 35 2HD LYS 35 -21.213 -18.742 2.460 189 HD3 LYS 35 3HD LYS 35 -20.019 -19.312 1.292 190 HE2 LYS 35 2HE LYS 35 -21.383 -21.167 1.990 191 HE3 LYS 35 3HE LYS 35 -19.757 -21.375 2.638 192 HZ1 LYS 35 1HZ LYS 35 -20.775 -21.681 4.579 193 HZ2 LYS 35 2HZ LYS 35 -22.248 -21.060 4.025 194 HZ3 LYS 35 3HZ LYS 35 -21.049 -20.011 4.596 195 H LYS 36 H LYS 36 -17.181 -18.373 -0.894 196 HA LYS 36 HA LYS 36 -15.187 -16.202 -0.841 197 HB2 LYS 36 2HB LYS 36 -14.615 -16.972 -3.175 198 HB3 LYS 36 3HB LYS 36 -14.182 -18.088 -1.887 199 HG2 LYS 36 2HG LYS 36 -15.586 -19.678 -2.615 200 HG3 LYS 36 3HG LYS 36 -16.842 -18.516 -3.052 201 HD2 LYS 36 2HD LYS 36 -16.239 -19.234 -5.136 202 HD3 LYS 36 3HD LYS 36 -15.106 -17.894 -4.947 203 HE2 LYS 36 2HE LYS 36 -14.203 -20.506 -3.917 204 HE3 LYS 36 3HE LYS 36 -14.382 -20.391 -5.667 205 HZ1 LYS 36 1HZ LYS 36 -12.251 -19.666 -5.409 206 HZ2 LYS 36 2HZ LYS 36 -12.531 -18.975 -3.891 207 HZ3 LYS 36 3HZ LYS 36 -13.057 -18.184 -5.290 208 HA PRO 37 HA PRO 37 -19.093 -14.397 -2.522 209 HB2 PRO 37 2HB PRO 37 -18.782 -12.007 -1.272 210 HB3 PRO 37 3HB PRO 37 -19.544 -13.403 -0.500 211 HG2 PRO 37 2HG PRO 37 -16.742 -12.383 -0.229 212 HG3 PRO 37 3HG PRO 37 -17.846 -12.971 1.029 213 HD2 PRO 37 2HD PRO 37 -15.863 -14.501 -0.001 214 HD3 PRO 37 3HD PRO 37 -17.403 -15.183 0.560 215 H VAL 38 H VAL 38 -15.910 -12.864 -2.116 216 HA VAL 38 HA VAL 38 -16.324 -11.367 -4.602 217 HB VAL 38 HB VAL 38 -14.938 -10.801 -2.159 218 HG11 VAL 38 1HG1 VAL 38 -12.829 -9.955 -3.054 219 HG12 VAL 38 2HG1 VAL 38 -12.959 -11.700 -3.279 220 HG13 VAL 38 3HG1 VAL 38 -13.231 -10.612 -4.640 221 HG21 VAL 38 1HG2 VAL 38 -15.989 -9.419 -4.519 222 HG22 VAL 38 2HG2 VAL 38 -16.070 -8.976 -2.814 223 HG23 VAL 38 3HG2 VAL 38 -14.621 -8.612 -3.751 224 HA PRO 39 HA PRO 39 -13.686 -13.952 -6.981 225 HB2 PRO 39 2HB PRO 39 -12.629 -12.141 -8.705 226 HB3 PRO 39 3HB PRO 39 -14.306 -12.692 -8.799 227 HG2 PRO 39 2HG PRO 39 -13.202 -10.181 -7.601 228 HG3 PRO 39 3HG PRO 39 -14.643 -10.399 -8.612 229 HD2 PRO 39 2HD PRO 39 -14.777 -10.146 -5.919 230 HD3 PRO 39 3HD PRO 39 -15.926 -11.134 -6.844 231 H ILE 40 H ILE 40 -12.080 -10.835 -6.291 232 HA ILE 40 HA ILE 40 -9.473 -12.001 -6.289 233 HB ILE 40 HB ILE 40 -8.729 -9.795 -5.414 234 HG12 ILE 40 2HG1 ILE 40 -10.876 -8.126 -5.747 235 HG13 ILE 40 3HG1 ILE 40 -11.627 -9.525 -4.989 236 HG21 ILE 40 1HG2 ILE 40 -8.789 -8.875 -7.480 237 HG22 ILE 40 2HG2 ILE 40 -9.449 -10.453 -7.908 238 HG23 ILE 40 3HG2 ILE 40 -10.532 -9.087 -7.644 239 HD11 ILE 40 1HD1 ILE 40 -9.664 -9.318 -3.299 240 HD12 ILE 40 2HD1 ILE 40 -9.565 -7.667 -3.913 241 HD13 ILE 40 3HD1 ILE 40 -11.058 -8.245 -3.174 242 H ILE 41 H ILE 41 -8.462 -13.012 -4.689 243 HA ILE 41 HA ILE 41 -9.693 -13.099 -2.055 244 HB ILE 41 HB ILE 41 -8.504 -15.024 -1.638 245 HG12 ILE 41 2HG1 ILE 41 -6.463 -14.689 -3.778 246 HG13 ILE 41 3HG1 ILE 41 -6.312 -13.670 -2.351 247 HG21 ILE 41 1HG2 ILE 41 -9.946 -15.148 -3.737 248 HG22 ILE 41 2HG2 ILE 41 -8.429 -15.148 -4.636 249 HG23 ILE 41 3HG2 ILE 41 -8.773 -16.441 -3.488 250 HD11 ILE 41 1HD1 ILE 41 -6.752 -16.178 -1.303 251 HD12 ILE 41 2HD1 ILE 41 -5.717 -16.480 -2.699 252 HD13 ILE 41 3HD1 ILE 41 -5.198 -15.357 -1.442 253 H ALA 42 H ALA 42 -8.014 -13.229 -0.179 254 HA ALA 42 HA ALA 42 -5.836 -11.316 -0.490 255 HB1 ALA 42 1HB ALA 42 -6.672 -9.654 0.768 256 HB2 ALA 42 2HB ALA 42 -8.233 -10.353 0.337 257 HB3 ALA 42 3HB ALA 42 -7.479 -10.761 1.878 258 H CYS 43 H CYS 43 -4.102 -11.991 0.587 259 HA CYS 43 HA CYS 43 -4.402 -14.170 2.507 260 HB2 CYS 43 2HB CYS 43 -1.879 -13.017 1.301 261 HB3 CYS 43 3HB CYS 43 -2.006 -14.503 2.237 262 H ASN 44 H ASN 44 -2.782 -14.124 4.378 263 HA ASN 44 HA ASN 44 -2.459 -11.423 5.470 264 HB2 ASN 44 2HB ASN 44 -3.597 -11.848 7.442 265 HB3 ASN 44 3HB ASN 44 -4.586 -12.728 6.280 266 HD21 ASN 44 1HD2 ASN 44 -2.781 -14.899 5.911 267 HD22 ASN 44 2HD2 ASN 44 -2.812 -15.845 7.357 268 H ARG 45 H ARG 45 -1.065 -11.444 7.465 269 HA ARG 45 HA ARG 45 1.203 -13.213 6.980 270 HB2 ARG 45 2HB ARG 45 2.377 -11.680 8.584 271 HB3 ARG 45 3HB ARG 45 1.775 -10.897 7.129 272 HG2 ARG 45 2HG ARG 45 -0.049 -10.883 9.441 273 HG3 ARG 45 3HG ARG 45 1.425 -9.927 9.607 274 HD2 ARG 45 2HD ARG 45 0.810 -8.448 7.997 275 HD3 ARG 45 3HD ARG 45 -0.062 -9.663 7.063 276 HE ARG 45 HE ARG 45 -1.584 -9.355 9.286 277 HH11 ARG 45 1HH1 ARG 45 -0.284 -7.150 6.926 278 HH12 ARG 45 2HH1 ARG 45 -1.585 -6.016 7.077 279 HH21 ARG 45 1HH2 ARG 45 -3.302 -7.870 9.494 280 HH22 ARG 45 2HH2 ARG 45 -3.301 -6.426 8.539 281 H ARG 46 H ARG 46 0.123 -15.100 7.859 282 HA ARG 46 HA ARG 46 0.324 -15.184 10.791 283 HB2 ARG 46 2HB ARG 46 -1.943 -16.033 9.048 284 HB3 ARG 46 3HB ARG 46 -1.587 -16.997 10.475 285 HG2 ARG 46 2HG ARG 46 -1.975 -14.026 10.619 286 HG3 ARG 46 3HG ARG 46 -3.324 -15.160 10.709 287 HD2 ARG 46 2HD ARG 46 -1.036 -15.738 12.475 288 HD3 ARG 46 3HD ARG 46 -1.946 -14.277 12.855 289 HE ARG 46 HE ARG 46 -2.820 -16.997 13.170 290 HH11 ARG 46 1HH1 ARG 46 -3.834 -13.693 12.748 291 HH12 ARG 46 2HH1 ARG 46 -5.391 -13.942 13.467 292 HH21 ARG 46 1HH2 ARG 46 -4.867 -17.337 14.118 293 HH22 ARG 46 2HH2 ARG 46 -5.977 -16.015 14.246 294 H THR 47 H THR 47 -0.556 -17.659 8.412 295 HA THR 47 HA THR 47 2.020 -18.982 8.793 296 HB THR 47 HB THR 47 0.637 -19.968 10.534 297 HG1 THR 47 HG1 THR 47 2.056 -21.301 9.115 298 HG21 THR 47 1HG2 THR 47 -1.539 -20.415 10.296 299 HG22 THR 47 2HG2 THR 47 -1.251 -21.366 8.840 300 HG23 THR 47 3HG2 THR 47 -1.451 -19.618 8.726 301 H GLY 48 H GLY 48 -0.014 -17.760 6.687 302 HA2 GLY 48 2HA GLY 48 0.325 -18.071 4.337 303 HA3 GLY 48 3HA GLY 48 0.653 -19.769 4.646 304 H LYS 49 H LYS 49 -1.993 -17.433 5.159 305 HA LYS 49 HA LYS 49 -3.819 -19.279 3.823 306 HB2 LYS 49 2HB LYS 49 -5.248 -19.603 5.580 307 HB3 LYS 49 3HB LYS 49 -3.736 -19.472 6.470 308 HG2 LYS 49 2HG LYS 49 -4.220 -17.080 6.862 309 HG3 LYS 49 3HG LYS 49 -5.779 -17.298 6.065 310 HD2 LYS 49 2HD LYS 49 -6.632 -17.914 8.025 311 HD3 LYS 49 3HD LYS 49 -5.595 -19.342 7.981 312 HE2 LYS 49 2HE LYS 49 -3.779 -17.864 8.969 313 HE3 LYS 49 3HE LYS 49 -5.050 -16.679 9.269 314 HZ1 LYS 49 1HZ LYS 49 -5.537 -17.760 11.121 315 HZ2 LYS 49 2HZ LYS 49 -4.370 -18.939 10.794 316 HZ3 LYS 49 3HZ LYS 49 -5.951 -19.134 10.226 317 H CYS 50 H CYS 50 -5.501 -18.289 2.773 318 HA CYS 50 HA CYS 50 -5.714 -15.366 3.053 319 HB2 CYS 50 2HB CYS 50 -6.063 -16.706 0.390 320 HB3 CYS 50 3HB CYS 50 -5.688 -15.022 0.743 321 H GLN 51 H GLN 51 -7.749 -14.790 1.421 322 HA GLN 51 HA GLN 51 -9.932 -16.559 1.422 323 HB2 GLN 51 2HB GLN 51 -11.279 -15.760 3.223 324 HB3 GLN 51 3HB GLN 51 -9.709 -16.178 3.896 325 HG2 GLN 51 2HG GLN 51 -9.584 -13.464 3.152 326 HG3 GLN 51 3HG GLN 51 -11.111 -13.700 4.002 327 HE21 GLN 51 1HE2 GLN 51 -7.669 -14.505 4.248 328 HE22 GLN 51 2HE2 GLN 51 -7.574 -14.335 5.965 329 H ARG 52 H ARG 52 -12.003 -14.640 1.878 330 HA ARG 52 HA ARG 52 -11.800 -13.190 -0.616 331 HB2 ARG 52 2HB ARG 52 -14.112 -12.857 -0.463 332 HB3 ARG 52 3HB ARG 52 -13.868 -14.435 0.273 333 HG2 ARG 52 2HG ARG 52 -14.053 -11.898 1.872 334 HG3 ARG 52 3HG ARG 52 -15.454 -12.892 1.466 335 HD2 ARG 52 2HD ARG 52 -14.184 -14.831 2.511 336 HD3 ARG 52 3HD ARG 52 -13.074 -13.621 3.151 337 HE ARG 52 HE ARG 52 -14.668 -13.008 4.683 338 HH11 ARG 52 1HH1 ARG 52 -16.124 -15.002 2.228 339 HH12 ARG 52 2HH1 ARG 52 -17.629 -15.167 3.071 340 HH21 ARG 52 1HH2 ARG 52 -16.645 -13.219 5.802 341 HH22 ARG 52 2HH2 ARG 52 -17.924 -14.152 5.103 342 H ALA 53 H ALA 53 -11.849 -10.974 -0.880 343 HA ALA 53 HA ALA 53 -10.422 -9.353 0.779 344 HB1 ALA 53 1HB ALA 53 -12.005 -7.494 -0.312 345 HB2 ALA 53 2HB ALA 53 -10.730 -8.318 -1.210 346 HB3 ALA 53 3HB ALA 53 -12.402 -8.858 -1.358 Start of MODEL 6 1 H1 GLY 1 H GLY 1 4.545 -2.266 -6.308 2 HA2 GLY 1 2HA GLY 1 3.071 -0.465 -5.617 3 HA3 GLY 1 3HA GLY 1 2.922 -1.262 -4.057 4 H SER 2 H SER 2 3.906 -0.161 -2.513 5 HA SER 2 HA SER 2 6.172 1.552 -3.174 6 HB2 SER 2 2HB SER 2 4.542 2.659 -1.847 7 HB3 SER 2 3HB SER 2 4.414 1.297 -0.734 8 HG SER 2 HG SER 2 6.120 3.394 -0.687 9 H LYS 3 H LYS 3 5.364 -0.950 -0.771 10 HA LYS 3 HA LYS 3 8.202 -1.713 -0.737 11 HB2 LYS 3 2HB LYS 3 6.846 -0.471 1.387 12 HB3 LYS 3 3HB LYS 3 6.963 -2.168 1.833 13 HG2 LYS 3 2HG LYS 3 9.477 -1.342 0.798 14 HG3 LYS 3 3HG LYS 3 8.946 -0.161 1.997 15 HD2 LYS 3 2HD LYS 3 8.989 -3.141 2.459 16 HD3 LYS 3 3HD LYS 3 10.290 -2.046 2.933 17 HE2 LYS 3 2HE LYS 3 8.911 -0.923 4.484 18 HE3 LYS 3 3HE LYS 3 7.446 -1.649 3.824 19 HZ1 LYS 3 1HZ LYS 3 8.766 -2.547 5.990 20 HZ2 LYS 3 2HZ LYS 3 9.385 -3.556 4.782 21 HZ3 LYS 3 3HZ LYS 3 7.717 -3.483 5.049 22 H LYS 4 H LYS 4 8.619 -3.886 -0.565 23 HA LYS 4 HA LYS 4 6.295 -5.681 -0.363 24 HB2 LYS 4 2HB LYS 4 8.591 -5.976 -2.310 25 HB3 LYS 4 3HB LYS 4 7.246 -7.094 -2.123 26 HG2 LYS 4 2HG LYS 4 5.714 -5.232 -2.780 27 HG3 LYS 4 3HG LYS 4 7.145 -4.269 -3.151 28 HD2 LYS 4 2HD LYS 4 6.584 -6.966 -4.374 29 HD3 LYS 4 3HD LYS 4 6.107 -5.437 -5.117 30 HE2 LYS 4 2HE LYS 4 8.945 -5.939 -4.293 31 HE3 LYS 4 3HE LYS 4 8.331 -6.528 -5.838 32 HZ1 LYS 4 1HZ LYS 4 9.350 -4.395 -6.143 33 HZ2 LYS 4 2HZ LYS 4 8.403 -3.704 -4.924 34 HZ3 LYS 4 3HZ LYS 4 7.681 -4.227 -6.362 35 HA PRO 5 HA PRO 5 9.542 -6.932 2.675 36 HB2 PRO 5 2HB PRO 5 7.775 -7.516 4.652 37 HB3 PRO 5 3HB PRO 5 8.402 -5.887 4.374 38 HG2 PRO 5 2HG PRO 5 5.789 -7.079 3.531 39 HG3 PRO 5 3HG PRO 5 6.119 -5.475 4.212 40 HD2 PRO 5 2HD PRO 5 5.739 -5.884 1.562 41 HD3 PRO 5 3HD PRO 5 6.821 -4.623 2.188 42 H VAL 6 H VAL 6 6.340 -8.461 2.282 43 HA VAL 6 HA VAL 6 7.606 -11.094 2.523 44 HB VAL 6 HB VAL 6 5.080 -10.041 3.351 45 HG11 VAL 6 1HG1 VAL 6 4.876 -12.438 1.531 46 HG12 VAL 6 2HG1 VAL 6 3.579 -11.776 2.527 47 HG13 VAL 6 3HG1 VAL 6 4.238 -10.830 1.191 48 HG21 VAL 6 1HG2 VAL 6 5.116 -12.685 4.070 49 HG22 VAL 6 2HG2 VAL 6 6.829 -12.329 3.845 50 HG23 VAL 6 3HG2 VAL 6 5.870 -11.370 4.972 51 HA PRO 7 HA PRO 7 7.274 -12.018 -1.757 52 HB2 PRO 7 2HB PRO 7 6.805 -14.691 -1.672 53 HB3 PRO 7 3HB PRO 7 8.377 -13.979 -1.292 54 HG2 PRO 7 2HG PRO 7 6.219 -14.906 0.564 55 HG3 PRO 7 3HG PRO 7 7.973 -15.145 0.679 56 HD2 PRO 7 2HD PRO 7 6.664 -13.250 2.104 57 HD3 PRO 7 3HD PRO 7 8.331 -13.034 1.533 58 H ILE 8 H ILE 8 4.802 -13.828 0.083 59 HA ILE 8 HA ILE 8 2.949 -13.819 -2.088 60 HB ILE 8 HB ILE 8 1.325 -14.687 -0.413 61 HG12 ILE 8 2HG1 ILE 8 2.837 -15.370 1.767 62 HG13 ILE 8 3HG1 ILE 8 3.441 -13.757 1.407 63 HG21 ILE 8 1HG2 ILE 8 3.581 -16.415 0.173 64 HG22 ILE 8 2HG2 ILE 8 2.140 -16.725 -0.795 65 HG23 ILE 8 3HG2 ILE 8 3.533 -15.925 -1.521 66 HD11 ILE 8 1HD1 ILE 8 1.738 -13.281 2.851 67 HD12 ILE 8 2HD1 ILE 8 0.897 -13.164 1.305 68 HD13 ILE 8 3HD1 ILE 8 0.737 -14.620 2.287 69 H ILE 9 H ILE 9 1.588 -12.270 -2.676 70 HA ILE 9 HA ILE 9 1.249 -9.945 -0.942 71 HB ILE 9 HB ILE 9 0.704 -8.705 -2.800 72 HG12 ILE 9 2HG1 ILE 9 0.101 -10.979 -4.623 73 HG13 ILE 9 3HG1 ILE 9 -1.087 -10.605 -3.379 74 HG21 ILE 9 1HG2 ILE 9 2.195 -10.783 -4.334 75 HG22 ILE 9 2HG2 ILE 9 2.399 -9.032 -4.321 76 HG23 ILE 9 3HG2 ILE 9 2.969 -9.997 -2.959 77 HD11 ILE 9 1HD1 ILE 9 -1.901 -9.218 -4.934 78 HD12 ILE 9 2HD1 ILE 9 -0.616 -8.143 -4.382 79 HD13 ILE 9 3HD1 ILE 9 -0.375 -9.142 -5.815 80 H ALA 10 H ALA 10 -1.022 -8.884 -1.184 81 HA ALA 10 HA ALA 10 -3.182 -10.841 -1.202 82 HB1 ALA 10 1HB ALA 10 -3.787 -10.695 0.978 83 HB2 ALA 10 2HB ALA 10 -2.060 -10.395 1.178 84 HB3 ALA 10 3HB ALA 10 -3.192 -9.044 1.149 85 H CYS 11 H CYS 11 -4.975 -10.025 -2.091 86 HA CYS 11 HA CYS 11 -5.024 -7.173 -2.717 87 HB2 CYS 11 2HB CYS 11 -6.848 -9.373 -3.708 88 HB3 CYS 11 3HB CYS 11 -6.741 -7.733 -4.341 89 H ASN 12 H ASN 12 -7.284 -6.163 -2.730 90 HA ASN 12 HA ASN 12 -8.874 -7.050 -0.429 91 HB2 ASN 12 2HB ASN 12 -8.801 -5.013 0.668 92 HB3 ASN 12 3HB ASN 12 -7.163 -5.112 0.029 93 HD21 ASN 12 1HD2 ASN 12 -7.922 -4.563 -2.690 94 HD22 ASN 12 2HD2 ASN 12 -8.322 -2.884 -2.766 95 H ARG 13 H ARG 13 -11.016 -5.951 -0.338 96 HA ARG 13 HA ARG 13 -12.112 -5.782 -3.034 97 HB2 ARG 13 2HB ARG 13 -14.318 -5.834 -1.824 98 HB3 ARG 13 3HB ARG 13 -13.307 -7.254 -1.589 99 HG2 ARG 13 2HG ARG 13 -13.221 -6.943 0.609 100 HG3 ARG 13 3HG ARG 13 -12.829 -5.231 0.430 101 HD2 ARG 13 2HD ARG 13 -14.946 -5.581 1.629 102 HD3 ARG 13 3HD ARG 13 -15.171 -4.697 0.120 103 HE ARG 13 HE ARG 13 -15.582 -7.356 -0.484 104 HH11 ARG 13 1HH1 ARG 13 -16.995 -4.982 1.634 105 HH12 ARG 13 2HH1 ARG 13 -18.577 -5.686 1.582 106 HH21 ARG 13 1HH2 ARG 13 -17.661 -8.293 -0.561 107 HH22 ARG 13 2HH2 ARG 13 -18.954 -7.570 0.334 108 H ARG 14 H ARG 14 -11.157 -3.683 -3.467 109 HA ARG 14 HA ARG 14 -12.804 -1.509 -2.367 110 HB2 ARG 14 2HB ARG 14 -9.830 -1.687 -2.561 111 HB3 ARG 14 3HB ARG 14 -10.594 -0.123 -2.812 112 HG2 ARG 14 2HG ARG 14 -11.143 -1.802 -0.386 113 HG3 ARG 14 3HG ARG 14 -9.802 -0.657 -0.466 114 HD2 ARG 14 2HD ARG 14 -11.249 0.889 0.230 115 HD3 ARG 14 3HD ARG 14 -11.965 0.800 -1.379 116 HE ARG 14 HE ARG 14 -12.989 -1.169 0.445 117 HH11 ARG 14 1HH1 ARG 14 -13.289 2.110 -0.685 118 HH12 ARG 14 2HH1 ARG 14 -14.949 2.260 -0.210 119 HH21 ARG 14 1HH2 ARG 14 -15.173 -0.984 1.074 120 HH22 ARG 14 2HH2 ARG 14 -16.019 0.499 0.791 121 H THR 15 H THR 15 -10.177 -1.533 -4.749 122 HA THR 15 HA THR 15 -12.094 -1.064 -6.903 123 HB THR 15 HB THR 15 -11.547 1.184 -6.140 124 HG1 THR 15 HG1 THR 15 -10.327 1.783 -8.219 125 HG21 THR 15 1HG2 THR 15 -9.533 1.706 -5.348 126 HG22 THR 15 2HG2 THR 15 -8.810 1.374 -6.922 127 HG23 THR 15 3HG2 THR 15 -8.970 0.081 -5.734 128 H GLY 16 H GLY 16 -9.713 -2.887 -5.849 129 HA2 GLY 16 2HA GLY 16 -8.723 -4.543 -7.268 130 HA3 GLY 16 3HA GLY 16 -8.671 -3.352 -8.560 131 H LYS 17 H LYS 17 -7.401 -3.799 -5.258 132 HA LYS 17 HA LYS 17 -4.726 -3.191 -6.247 133 HB2 LYS 17 2HB LYS 17 -4.341 -1.325 -4.977 134 HB3 LYS 17 3HB LYS 17 -6.057 -1.106 -5.293 135 HG2 LYS 17 2HG LYS 17 -6.555 -2.151 -3.112 136 HG3 LYS 17 3HG LYS 17 -4.821 -2.248 -2.796 137 HD2 LYS 17 2HD LYS 17 -4.613 0.131 -2.812 138 HD3 LYS 17 3HD LYS 17 -6.265 0.328 -3.401 139 HE2 LYS 17 2HE LYS 17 -7.025 -0.792 -1.270 140 HE3 LYS 17 3HE LYS 17 -5.365 -0.642 -0.696 141 HZ1 LYS 17 1HZ LYS 17 -5.534 1.762 -0.994 142 HZ2 LYS 17 2HZ LYS 17 -6.705 1.192 0.086 143 HZ3 LYS 17 3HZ LYS 17 -7.142 1.600 -1.497 144 H CYS 18 H CYS 18 -3.097 -4.158 -5.090 145 HA CYS 18 HA CYS 18 -3.889 -5.700 -2.711 146 HB2 CYS 18 2HB CYS 18 -1.888 -6.760 -4.687 147 HB3 CYS 18 3HB CYS 18 -2.806 -7.636 -3.466 148 H GLN 19 H GLN 19 -1.607 -6.737 -1.868 149 HA GLN 19 HA GLN 19 0.700 -5.147 -2.045 150 HB2 GLN 19 2HB GLN 19 0.651 -3.867 -0.038 151 HB3 GLN 19 3HB GLN 19 -0.846 -3.524 -0.895 152 HG2 GLN 19 2HG GLN 19 -1.364 -5.709 0.802 153 HG3 GLN 19 3HG GLN 19 -0.471 -4.520 1.749 154 HE21 GLN 19 1HE2 GLN 19 -3.120 -4.660 -0.608 155 HE22 GLN 19 2HE2 GLN 19 -4.121 -3.501 0.191 156 H ARG 20 H ARG 20 1.646 -5.391 0.603 157 HA ARG 20 HA ARG 20 2.183 -8.236 0.643 158 HB2 ARG 20 2HB ARG 20 3.838 -7.675 2.372 159 HB3 ARG 20 3HB ARG 20 4.035 -6.680 0.936 160 HG2 ARG 20 2HG ARG 20 4.160 -5.001 2.411 161 HG3 ARG 20 3HG ARG 20 2.399 -5.112 2.409 162 HD2 ARG 20 2HD ARG 20 2.331 -6.191 4.440 163 HD3 ARG 20 3HD ARG 20 3.960 -6.843 4.267 164 HE ARG 20 HE ARG 20 4.385 -4.182 4.463 165 HH11 ARG 20 1HH1 ARG 20 2.582 -6.456 6.386 166 HH12 ARG 20 2HH1 ARG 20 2.822 -5.592 7.869 167 HH21 ARG 20 1HH2 ARG 20 4.709 -3.036 6.408 168 HH22 ARG 20 2HH2 ARG 20 4.031 -3.646 7.880 169 H ALA 21 H ALA 21 1.441 -9.683 2.088 170 HA ALA 21 HA ALA 21 0.237 -10.605 3.786 171 HB1 ALA 21 1HB ALA 21 1.696 -8.741 5.008 172 HB2 ALA 21 2HB ALA 21 0.091 -8.085 5.334 173 HB3 ALA 21 3HB ALA 21 0.499 -9.718 5.858 174 H1 GLY 33 H GLY 33 -10.900 -19.543 5.697 175 HA2 GLY 33 2HA GLY 33 -11.152 -19.221 3.329 176 HA3 GLY 33 3HA GLY 33 -9.996 -20.519 3.070 177 H SER 34 H SER 34 -13.278 -19.685 3.333 178 HA SER 34 HA SER 34 -14.025 -22.534 3.227 179 HB2 SER 34 2HB SER 34 -16.299 -21.624 4.116 180 HB3 SER 34 3HB SER 34 -14.965 -21.838 5.250 181 HG SER 34 HG SER 34 -15.595 -19.823 5.669 182 H LYS 35 H LYS 35 -15.464 -19.353 2.485 183 HA LYS 35 HA LYS 35 -16.407 -20.482 -0.066 184 HB2 LYS 35 2HB LYS 35 -17.580 -18.513 1.843 185 HB3 LYS 35 3HB LYS 35 -17.936 -18.321 0.131 186 HG2 LYS 35 2HG LYS 35 -19.489 -19.888 0.252 187 HG3 LYS 35 3HG LYS 35 -18.303 -21.056 0.839 188 HD2 LYS 35 2HD LYS 35 -18.652 -20.261 3.127 189 HD3 LYS 35 3HD LYS 35 -19.831 -19.085 2.541 190 HE2 LYS 35 2HE LYS 35 -21.263 -20.886 1.754 191 HE3 LYS 35 3HE LYS 35 -20.069 -22.080 2.261 192 HZ1 LYS 35 1HZ LYS 35 -20.374 -21.339 4.551 193 HZ2 LYS 35 2HZ LYS 35 -21.829 -21.887 3.886 194 HZ3 LYS 35 3HZ LYS 35 -21.547 -20.227 4.051 195 H LYS 36 H LYS 36 -16.696 -18.761 -1.805 196 HA LYS 36 HA LYS 36 -14.427 -16.882 -1.742 197 HB2 LYS 36 2HB LYS 36 -14.224 -17.288 -4.212 198 HB3 LYS 36 3HB LYS 36 -13.795 -18.663 -3.203 199 HG2 LYS 36 2HG LYS 36 -16.565 -18.835 -3.818 200 HG3 LYS 36 3HG LYS 36 -15.671 -18.544 -5.312 201 HD2 LYS 36 2HD LYS 36 -14.578 -20.538 -5.206 202 HD3 LYS 36 3HD LYS 36 -14.560 -20.558 -3.441 203 HE2 LYS 36 2HE LYS 36 -17.242 -20.737 -4.059 204 HE3 LYS 36 3HE LYS 36 -16.473 -21.714 -5.309 205 HZ1 LYS 36 1HZ LYS 36 -15.617 -22.095 -2.535 206 HZ2 LYS 36 2HZ LYS 36 -15.712 -23.216 -3.798 207 HZ3 LYS 36 3HZ LYS 36 -17.118 -22.726 -2.995 208 HA PRO 37 HA PRO 37 -18.299 -14.491 -2.520 209 HB2 PRO 37 2HB PRO 37 -17.559 -12.377 -0.986 210 HB3 PRO 37 3HB PRO 37 -18.356 -13.810 -0.327 211 HG2 PRO 37 2HG PRO 37 -15.449 -13.095 -0.337 212 HG3 PRO 37 3HG PRO 37 -16.427 -13.785 0.972 213 HD2 PRO 37 2HD PRO 37 -14.785 -15.290 -0.568 214 HD3 PRO 37 3HD PRO 37 -16.299 -15.920 0.112 215 H VAL 38 H VAL 38 -15.025 -13.100 -2.216 216 HA VAL 38 HA VAL 38 -15.587 -11.374 -4.519 217 HB VAL 38 HB VAL 38 -14.082 -11.018 -2.109 218 HG11 VAL 38 1HG1 VAL 38 -12.152 -11.781 -3.390 219 HG12 VAL 38 2HG1 VAL 38 -12.504 -10.591 -4.644 220 HG13 VAL 38 3HG1 VAL 38 -12.030 -10.060 -3.030 221 HG21 VAL 38 1HG2 VAL 38 -15.262 -9.438 -4.274 222 HG22 VAL 38 2HG2 VAL 38 -15.259 -9.154 -2.534 223 HG23 VAL 38 3HG2 VAL 38 -13.863 -8.687 -3.506 224 HA PRO 39 HA PRO 39 -13.052 -13.682 -7.265 225 HB2 PRO 39 2HB PRO 39 -12.098 -11.701 -8.857 226 HB3 PRO 39 3HB PRO 39 -13.773 -12.261 -8.921 227 HG2 PRO 39 2HG PRO 39 -12.628 -9.863 -7.542 228 HG3 PRO 39 3HG PRO 39 -14.117 -10.001 -8.496 229 HD2 PRO 39 2HD PRO 39 -14.116 -10.010 -5.788 230 HD3 PRO 39 3HD PRO 39 -15.303 -10.919 -6.745 231 H ILE 40 H ILE 40 -11.431 -10.623 -6.381 232 HA ILE 40 HA ILE 40 -8.820 -11.740 -6.624 233 HB ILE 40 HB ILE 40 -8.077 -9.625 -5.501 234 HG12 ILE 40 2HG1 ILE 40 -10.315 -8.008 -5.703 235 HG13 ILE 40 3HG1 ILE 40 -10.947 -9.481 -4.976 236 HG21 ILE 40 1HG2 ILE 40 -8.692 -10.032 -8.033 237 HG22 ILE 40 2HG2 ILE 40 -9.934 -8.831 -7.682 238 HG23 ILE 40 3HG2 ILE 40 -8.232 -8.434 -7.445 239 HD11 ILE 40 1HD1 ILE 40 -8.675 -7.808 -3.934 240 HD12 ILE 40 2HD1 ILE 40 -10.304 -7.914 -3.264 241 HD13 ILE 40 3HD1 ILE 40 -9.238 -9.319 -3.221 242 H ILE 41 H ILE 41 -7.707 -12.898 -5.201 243 HA ILE 41 HA ILE 41 -8.794 -13.305 -2.534 244 HB ILE 41 HB ILE 41 -7.541 -15.233 -2.392 245 HG12 ILE 41 2HG1 ILE 41 -5.646 -14.597 -4.602 246 HG13 ILE 41 3HG1 ILE 41 -5.419 -13.768 -3.066 247 HG21 ILE 41 1HG2 ILE 41 -7.618 -15.071 -5.383 248 HG22 ILE 41 2HG2 ILE 41 -7.943 -16.452 -4.336 249 HG23 ILE 41 3HG2 ILE 41 -9.101 -15.126 -4.431 250 HD11 ILE 41 1HD1 ILE 41 -5.766 -16.414 -2.352 251 HD12 ILE 41 2HD1 ILE 41 -4.786 -16.483 -3.817 252 HD13 ILE 41 3HD1 ILE 41 -4.240 -15.533 -2.435 253 H ALA 42 H ALA 42 -6.999 -13.617 -0.780 254 HA ALA 42 HA ALA 42 -4.882 -11.625 -0.980 255 HB1 ALA 42 1HB ALA 42 -7.264 -10.850 0.099 256 HB2 ALA 42 2HB ALA 42 -6.366 -11.365 1.527 257 HB3 ALA 42 3HB ALA 42 -5.699 -10.124 0.466 258 H CYS 43 H CYS 43 -3.080 -12.413 -0.118 259 HA CYS 43 HA CYS 43 -3.247 -14.774 1.591 260 HB2 CYS 43 2HB CYS 43 -0.796 -13.503 0.358 261 HB3 CYS 43 3HB CYS 43 -0.898 -15.095 1.101 262 H ASN 44 H ASN 44 -1.444 -14.893 3.311 263 HA ASN 44 HA ASN 44 -1.067 -12.314 4.650 264 HB2 ASN 44 2HB ASN 44 -2.073 -12.931 6.630 265 HB3 ASN 44 3HB ASN 44 -3.105 -13.778 5.481 266 HD21 ASN 44 1HD2 ASN 44 -1.345 -15.861 4.816 267 HD22 ASN 44 2HD2 ASN 44 -1.185 -16.890 6.194 268 H ARG 45 H ARG 45 0.512 -12.472 6.466 269 HA ARG 45 HA ARG 45 2.732 -14.172 5.643 270 HB2 ARG 45 2HB ARG 45 2.783 -12.076 7.807 271 HB3 ARG 45 3HB ARG 45 4.138 -12.728 6.895 272 HG2 ARG 45 2HG ARG 45 3.465 -11.579 4.922 273 HG3 ARG 45 3HG ARG 45 1.933 -11.102 5.656 274 HD2 ARG 45 2HD ARG 45 3.740 -9.328 5.553 275 HD3 ARG 45 3HD ARG 45 2.987 -9.595 7.125 276 HE ARG 45 HE ARG 45 5.325 -11.177 6.832 277 HH11 ARG 45 1HH1 ARG 45 4.247 -7.923 7.441 278 HH12 ARG 45 2HH1 ARG 45 5.666 -7.481 8.331 279 HH21 ARG 45 1HH2 ARG 45 7.198 -10.606 8.002 280 HH22 ARG 45 2HH2 ARG 45 7.344 -9.007 8.649 281 H ARG 46 H ARG 46 1.728 -16.139 6.447 282 HA ARG 46 HA ARG 46 2.184 -16.470 9.334 283 HB2 ARG 46 2HB ARG 46 0.012 -16.902 9.622 284 HB3 ARG 46 3HB ARG 46 -0.286 -16.801 7.892 285 HG2 ARG 46 2HG ARG 46 0.225 -19.122 7.605 286 HG3 ARG 46 3HG ARG 46 0.749 -19.259 9.284 287 HD2 ARG 46 2HD ARG 46 -2.044 -18.513 8.429 288 HD3 ARG 46 3HD ARG 46 -1.539 -20.150 8.846 289 HE ARG 46 HE ARG 46 -2.133 -18.020 10.656 290 HH11 ARG 46 1HH1 ARG 46 -0.225 -20.898 10.217 291 HH12 ARG 46 2HH1 ARG 46 -0.078 -21.217 11.913 292 HH21 ARG 46 1HH2 ARG 46 -1.947 -18.429 12.892 293 HH22 ARG 46 2HH2 ARG 46 -1.059 -19.813 13.434 294 H THR 47 H THR 47 1.859 -18.098 6.199 295 HA THR 47 HA THR 47 4.224 -19.590 6.490 296 HB THR 47 HB THR 47 2.838 -20.801 8.184 297 HG1 THR 47 HG1 THR 47 4.271 -22.220 7.513 298 HG21 THR 47 1HG2 THR 47 1.316 -22.241 6.133 299 HG22 THR 47 2HG2 THR 47 0.811 -20.568 6.366 300 HG23 THR 47 3HG2 THR 47 0.820 -21.684 7.730 301 H GLY 48 H GLY 48 1.144 -19.062 4.976 302 HA2 GLY 48 2HA GLY 48 1.658 -18.790 2.444 303 HA3 GLY 48 3HA GLY 48 2.009 -20.508 2.569 304 H LYS 49 H LYS 49 -0.572 -18.250 3.554 305 HA LYS 49 HA LYS 49 -2.521 -19.970 2.222 306 HB2 LYS 49 2HB LYS 49 -3.807 -20.431 4.071 307 HB3 LYS 49 3HB LYS 49 -2.203 -20.459 4.792 308 HG2 LYS 49 2HG LYS 49 -2.516 -18.145 5.548 309 HG3 LYS 49 3HG LYS 49 -4.142 -18.155 4.859 310 HD2 LYS 49 2HD LYS 49 -4.586 -20.177 6.340 311 HD3 LYS 49 3HD LYS 49 -3.081 -19.768 7.166 312 HE2 LYS 49 2HE LYS 49 -4.028 -17.473 7.540 313 HE3 LYS 49 3HE LYS 49 -5.564 -18.078 6.920 314 HZ1 LYS 49 1HZ LYS 49 -4.633 -18.229 9.515 315 HZ2 LYS 49 2HZ LYS 49 -4.555 -19.810 8.919 316 HZ3 LYS 49 3HZ LYS 49 -6.020 -18.963 8.883 317 H CYS 50 H CYS 50 -4.308 -18.899 1.456 318 HA CYS 50 HA CYS 50 -4.512 -16.027 2.055 319 HB2 CYS 50 2HB CYS 50 -5.038 -17.038 -0.718 320 HB3 CYS 50 3HB CYS 50 -4.618 -15.412 -0.188 321 H GLN 51 H GLN 51 -6.657 -15.317 0.617 322 HA GLN 51 HA GLN 51 -8.810 -17.133 0.591 323 HB2 GLN 51 2HB GLN 51 -10.048 -16.521 2.532 324 HB3 GLN 51 3HB GLN 51 -8.426 -16.936 3.072 325 HG2 GLN 51 2HG GLN 51 -8.397 -14.180 2.543 326 HG3 GLN 51 3HG GLN 51 -9.890 -14.505 3.422 327 HE21 GLN 51 1HE2 GLN 51 -6.438 -15.309 3.502 328 HE22 GLN 51 2HE2 GLN 51 -6.287 -15.244 5.222 329 H ARG 52 H ARG 52 -10.898 -15.344 1.276 330 HA ARG 52 HA ARG 52 -10.833 -13.653 -1.071 331 HB2 ARG 52 2HB ARG 52 -13.198 -13.195 -0.512 332 HB3 ARG 52 3HB ARG 52 -12.852 -14.915 -0.620 333 HG2 ARG 52 2HG ARG 52 -12.554 -13.842 2.074 334 HG3 ARG 52 3HG ARG 52 -14.184 -13.677 1.420 335 HD2 ARG 52 2HD ARG 52 -14.581 -15.863 1.620 336 HD3 ARG 52 3HD ARG 52 -13.048 -16.283 0.857 337 HE ARG 52 HE ARG 52 -12.148 -16.612 2.934 338 HH11 ARG 52 1HH1 ARG 52 -15.111 -14.813 3.251 339 HH12 ARG 52 2HH1 ARG 52 -15.135 -14.906 4.981 340 HH21 ARG 52 1HH2 ARG 52 -12.168 -16.742 5.212 341 HH22 ARG 52 2HH2 ARG 52 -13.460 -16.003 6.095 342 H ALA 53 H ALA 53 -10.750 -11.464 -1.125 343 HA ALA 53 HA ALA 53 -9.466 -10.007 0.812 344 HB1 ALA 53 1HB ALA 53 -11.300 -9.198 -1.410 345 HB2 ALA 53 2HB ALA 53 -10.631 -7.990 -0.311 346 HB3 ALA 53 3HB ALA 53 -9.553 -9.000 -1.274 Start of MODEL 7 1 H1 GLY 1 H GLY 1 6.433 -2.265 -6.856 2 HA2 GLY 1 2HA GLY 1 4.177 -0.555 -6.605 3 HA3 GLY 1 3HA GLY 1 4.212 -1.717 -5.287 4 H SER 2 H SER 2 4.607 -0.219 -3.682 5 HA SER 2 HA SER 2 6.949 1.499 -3.906 6 HB2 SER 2 2HB SER 2 5.449 2.810 -2.824 7 HB3 SER 2 3HB SER 2 4.521 1.431 -2.236 8 HG SER 2 HG SER 2 5.499 1.661 -0.404 9 H LYS 3 H LYS 3 5.694 -0.934 -1.624 10 HA LYS 3 HA LYS 3 8.455 -1.746 -1.073 11 HB2 LYS 3 2HB LYS 3 6.629 -0.460 0.795 12 HB3 LYS 3 3HB LYS 3 7.182 -2.023 1.381 13 HG2 LYS 3 2HG LYS 3 9.471 -0.771 0.406 14 HG3 LYS 3 3HG LYS 3 8.578 0.491 1.258 15 HD2 LYS 3 2HD LYS 3 9.577 -0.339 3.091 16 HD3 LYS 3 3HD LYS 3 8.348 -1.602 2.987 17 HE2 LYS 3 2HE LYS 3 10.436 -2.330 1.233 18 HE3 LYS 3 3HE LYS 3 11.189 -1.822 2.744 19 HZ1 LYS 3 1HZ LYS 3 9.644 -4.172 2.174 20 HZ2 LYS 3 2HZ LYS 3 9.115 -3.365 3.563 21 HZ3 LYS 3 3HZ LYS 3 10.725 -3.871 3.440 22 H LYS 4 H LYS 4 8.708 -3.904 -0.446 23 HA LYS 4 HA LYS 4 6.310 -5.581 -0.387 24 HB2 LYS 4 2HB LYS 4 8.674 -6.060 -2.212 25 HB3 LYS 4 3HB LYS 4 7.351 -7.191 -1.955 26 HG2 LYS 4 2HG LYS 4 5.784 -5.687 -2.959 27 HG3 LYS 4 3HG LYS 4 7.001 -4.411 -3.054 28 HD2 LYS 4 2HD LYS 4 8.316 -6.220 -4.439 29 HD3 LYS 4 3HD LYS 4 6.700 -6.883 -4.695 30 HE2 LYS 4 2HE LYS 4 6.120 -5.226 -6.090 31 HE3 LYS 4 3HE LYS 4 6.869 -3.989 -5.082 32 HZ1 LYS 4 1HZ LYS 4 9.053 -4.946 -5.992 33 HZ2 LYS 4 2HZ LYS 4 8.130 -3.952 -7.002 34 HZ3 LYS 4 3HZ LYS 4 8.091 -5.631 -7.204 35 HA PRO 5 HA PRO 5 9.343 -6.712 2.908 36 HB2 PRO 5 2HB PRO 5 7.456 -7.058 4.829 37 HB3 PRO 5 3HB PRO 5 8.169 -5.484 4.456 38 HG2 PRO 5 2HG PRO 5 5.549 -6.632 3.575 39 HG3 PRO 5 3HG PRO 5 5.918 -4.993 4.141 40 HD2 PRO 5 2HD PRO 5 5.651 -5.602 1.516 41 HD3 PRO 5 3HD PRO 5 6.757 -4.340 2.096 42 H VAL 6 H VAL 6 6.098 -8.133 2.468 43 HA VAL 6 HA VAL 6 7.228 -10.788 2.987 44 HB VAL 6 HB VAL 6 4.707 -9.566 3.577 45 HG11 VAL 6 1HG1 VAL 6 3.189 -11.326 2.834 46 HG12 VAL 6 2HG1 VAL 6 3.946 -10.522 1.458 47 HG13 VAL 6 3HG1 VAL 6 4.511 -12.112 1.971 48 HG21 VAL 6 1HG2 VAL 6 5.379 -10.758 5.353 49 HG22 VAL 6 2HG2 VAL 6 4.586 -12.114 4.552 50 HG23 VAL 6 3HG2 VAL 6 6.323 -11.875 4.368 51 HA PRO 7 HA PRO 7 7.083 -12.031 -1.223 52 HB2 PRO 7 2HB PRO 7 6.532 -14.676 -0.951 53 HB3 PRO 7 3HB PRO 7 8.105 -13.976 -0.551 54 HG2 PRO 7 2HG PRO 7 5.836 -14.696 1.264 55 HG3 PRO 7 3HG PRO 7 7.574 -14.970 1.483 56 HD2 PRO 7 2HD PRO 7 6.256 -12.935 2.688 57 HD3 PRO 7 3HD PRO 7 7.953 -12.807 2.185 58 H ILE 8 H ILE 8 4.476 -13.628 0.628 59 HA ILE 8 HA ILE 8 2.728 -13.746 -1.625 60 HB ILE 8 HB ILE 8 1.004 -14.441 0.024 61 HG12 ILE 8 2HG1 ILE 8 2.349 -14.968 2.339 62 HG13 ILE 8 3HG1 ILE 8 3.056 -13.423 1.880 63 HG21 ILE 8 1HG2 ILE 8 1.789 -16.525 -0.116 64 HG22 ILE 8 2HG2 ILE 8 3.219 -15.815 -0.864 65 HG23 ILE 8 3HG2 ILE 8 3.202 -16.147 0.868 66 HD11 ILE 8 1HD1 ILE 8 0.517 -12.776 1.548 67 HD12 ILE 8 2HD1 ILE 8 0.294 -14.075 2.720 68 HD13 ILE 8 3HD1 ILE 8 1.308 -12.690 3.122 69 H ILE 9 H ILE 9 1.420 -12.227 -2.393 70 HA ILE 9 HA ILE 9 1.072 -9.760 -0.867 71 HB ILE 9 HB ILE 9 0.670 -8.654 -2.839 72 HG12 ILE 9 2HG1 ILE 9 0.069 -11.021 -4.531 73 HG13 ILE 9 3HG1 ILE 9 -1.155 -10.555 -3.355 74 HG21 ILE 9 1HG2 ILE 9 2.898 -9.959 -2.799 75 HG22 ILE 9 2HG2 ILE 9 2.166 -10.933 -4.074 76 HG23 ILE 9 3HG2 ILE 9 2.386 -9.198 -4.305 77 HD11 ILE 9 1HD1 ILE 9 -1.883 -9.240 -5.010 78 HD12 ILE 9 2HD1 ILE 9 -0.592 -8.163 -4.478 79 HD13 ILE 9 3HD1 ILE 9 -0.329 -9.249 -5.842 80 H ALA 10 H ALA 10 -1.145 -8.665 -1.269 81 HA ALA 10 HA ALA 10 -3.349 -10.585 -1.220 82 HB1 ALA 10 1HB ALA 10 -2.280 -9.483 1.131 83 HB2 ALA 10 2HB ALA 10 -3.803 -8.643 0.838 84 HB3 ALA 10 3HB ALA 10 -3.774 -10.403 0.950 85 H CYS 11 H CYS 11 -5.068 -9.868 -2.313 86 HA CYS 11 HA CYS 11 -5.046 -7.096 -3.246 87 HB2 CYS 11 2HB CYS 11 -6.711 -9.450 -4.164 88 HB3 CYS 11 3HB CYS 11 -6.690 -7.854 -4.909 89 H ASN 12 H ASN 12 -6.478 -5.617 -2.590 90 HA ASN 12 HA ASN 12 -8.431 -6.387 -0.579 91 HB2 ASN 12 2HB ASN 12 -8.494 -4.142 0.060 92 HB3 ASN 12 3HB ASN 12 -6.827 -4.349 -0.468 93 HD21 ASN 12 1HD2 ASN 12 -7.586 -4.432 -3.290 94 HD22 ASN 12 2HD2 ASN 12 -7.941 -2.800 -3.732 95 H ARG 13 H ARG 13 -10.621 -5.380 -0.661 96 HA ARG 13 HA ARG 13 -11.750 -5.783 -3.319 97 HB2 ARG 13 2HB ARG 13 -13.939 -5.701 -2.079 98 HB3 ARG 13 3HB ARG 13 -12.861 -7.005 -1.600 99 HG2 ARG 13 2HG ARG 13 -12.896 -6.320 0.502 100 HG3 ARG 13 3HG ARG 13 -12.359 -4.707 0.026 101 HD2 ARG 13 2HD ARG 13 -14.470 -4.552 1.192 102 HD3 ARG 13 3HD ARG 13 -14.692 -4.116 -0.502 103 HE ARG 13 HE ARG 13 -15.236 -6.850 -0.189 104 HH11 ARG 13 1HH1 ARG 13 -16.548 -3.745 0.682 105 HH12 ARG 13 2HH1 ARG 13 -18.187 -4.305 0.731 106 HH21 ARG 13 1HH2 ARG 13 -17.390 -7.600 -0.128 107 HH22 ARG 13 2HH2 ARG 13 -18.664 -6.498 0.270 108 H ARG 14 H ARG 14 -10.907 -3.766 -4.165 109 HA ARG 14 HA ARG 14 -12.635 -1.494 -3.453 110 HB2 ARG 14 2HB ARG 14 -9.658 -1.567 -3.751 111 HB3 ARG 14 3HB ARG 14 -10.530 -0.107 -4.201 112 HG2 ARG 14 2HG ARG 14 -10.827 -1.412 -1.512 113 HG3 ARG 14 3HG ARG 14 -9.608 -0.183 -1.858 114 HD2 ARG 14 2HD ARG 14 -11.186 1.483 -2.159 115 HD3 ARG 14 3HD ARG 14 -12.476 0.336 -2.514 116 HE ARG 14 HE ARG 14 -11.791 -0.165 0.086 117 HH11 ARG 14 1HH1 ARG 14 -12.853 2.624 -1.707 118 HH12 ARG 14 2HH1 ARG 14 -13.653 3.352 -0.353 119 HH21 ARG 14 1HH2 ARG 14 -12.840 0.784 1.876 120 HH22 ARG 14 2HH2 ARG 14 -13.644 2.305 1.684 121 H THR 15 H THR 15 -10.068 -1.853 -5.872 122 HA THR 15 HA THR 15 -12.051 -1.920 -8.015 123 HB THR 15 HB THR 15 -11.672 0.461 -7.729 124 HG1 THR 15 HG1 THR 15 -11.627 0.614 -9.834 125 HG21 THR 15 1HG2 THR 15 -9.684 1.404 -7.283 126 HG22 THR 15 2HG2 THR 15 -8.862 0.468 -8.531 127 HG23 THR 15 3HG2 THR 15 -9.135 -0.236 -6.938 128 H GLY 16 H GLY 16 -9.562 -3.378 -6.717 129 HA2 GLY 16 2HA GLY 16 -8.561 -5.218 -7.943 130 HA3 GLY 16 3HA GLY 16 -8.426 -4.147 -9.330 131 H LYS 17 H LYS 17 -7.493 -3.849 -5.903 132 HA LYS 17 HA LYS 17 -4.733 -3.351 -6.803 133 HB2 LYS 17 2HB LYS 17 -6.475 -1.751 -5.000 134 HB3 LYS 17 3HB LYS 17 -4.777 -1.891 -4.561 135 HG2 LYS 17 2HG LYS 17 -4.221 -1.100 -6.881 136 HG3 LYS 17 3HG LYS 17 -5.938 -0.743 -7.085 137 HD2 LYS 17 2HD LYS 17 -5.820 1.104 -5.816 138 HD3 LYS 17 3HD LYS 17 -4.790 0.324 -4.614 139 HE2 LYS 17 2HE LYS 17 -3.051 0.530 -6.655 140 HE3 LYS 17 3HE LYS 17 -4.070 1.930 -6.986 141 HZ1 LYS 17 1HZ LYS 17 -3.703 2.573 -4.610 142 HZ2 LYS 17 2HZ LYS 17 -2.328 2.656 -5.592 143 HZ3 LYS 17 3HZ LYS 17 -2.526 1.361 -4.521 144 H CYS 18 H CYS 18 -3.079 -4.105 -5.475 145 HA CYS 18 HA CYS 18 -3.868 -5.701 -3.141 146 HB2 CYS 18 2HB CYS 18 -1.799 -6.757 -5.039 147 HB3 CYS 18 3HB CYS 18 -2.758 -7.628 -3.847 148 H GLN 19 H GLN 19 -1.642 -6.602 -2.152 149 HA GLN 19 HA GLN 19 0.661 -4.999 -2.372 150 HB2 GLN 19 2HB GLN 19 0.541 -3.620 -0.431 151 HB3 GLN 19 3HB GLN 19 -0.930 -3.337 -1.353 152 HG2 GLN 19 2HG GLN 19 -1.460 -5.444 0.452 153 HG3 GLN 19 3HG GLN 19 -0.643 -4.166 1.350 154 HE21 GLN 19 1HE2 GLN 19 -3.164 -4.506 -1.127 155 HE22 GLN 19 2HE2 GLN 19 -4.242 -3.349 -0.432 156 H ARG 20 H ARG 20 1.588 -5.095 0.268 157 HA ARG 20 HA ARG 20 2.145 -7.923 0.485 158 HB2 ARG 20 2HB ARG 20 3.710 -7.209 2.286 159 HB3 ARG 20 3HB ARG 20 3.996 -6.406 0.748 160 HG2 ARG 20 2HG ARG 20 2.186 -4.983 2.568 161 HG3 ARG 20 3HG ARG 20 3.849 -5.148 3.136 162 HD2 ARG 20 2HD ARG 20 4.532 -3.565 1.735 163 HD3 ARG 20 3HD ARG 20 3.839 -4.429 0.363 164 HE ARG 20 HE ARG 20 1.685 -3.241 1.457 165 HH11 ARG 20 1HH1 ARG 20 4.823 -2.047 0.533 166 HH12 ARG 20 2HH1 ARG 20 4.251 -0.456 0.157 167 HH21 ARG 20 1HH2 ARG 20 0.920 -1.149 0.965 168 HH22 ARG 20 2HH2 ARG 20 2.031 0.055 0.404 169 H ALA 21 H ALA 21 1.665 -9.252 2.216 170 HA ALA 21 HA ALA 21 -0.779 -9.114 3.417 171 HB1 ALA 21 1HB ALA 21 1.729 -10.556 4.060 172 HB2 ALA 21 2HB ALA 21 0.459 -10.542 5.284 173 HB3 ALA 21 3HB ALA 21 0.126 -11.183 3.676 174 H1 GLY 33 H GLY 33 -11.404 -21.705 3.707 175 HA2 GLY 33 2HA GLY 33 -12.276 -22.338 1.122 176 HA3 GLY 33 3HA GLY 33 -11.915 -23.846 1.949 177 H SER 34 H SER 34 -13.580 -20.773 2.665 178 HA SER 34 HA SER 34 -15.791 -22.367 3.787 179 HB2 SER 34 2HB SER 34 -16.080 -20.056 5.132 180 HB3 SER 34 3HB SER 34 -15.097 -21.390 5.733 181 HG SER 34 HG SER 34 -13.661 -19.819 5.801 182 H LYS 35 H LYS 35 -15.081 -19.043 2.696 183 HA LYS 35 HA LYS 35 -17.415 -19.168 0.938 184 HB2 LYS 35 2HB LYS 35 -17.408 -17.778 3.402 185 HB3 LYS 35 3HB LYS 35 -17.305 -16.561 2.136 186 HG2 LYS 35 2HG LYS 35 -19.326 -17.301 1.140 187 HG3 LYS 35 3HG LYS 35 -19.367 -18.749 2.149 188 HD2 LYS 35 2HD LYS 35 -19.216 -16.398 3.795 189 HD3 LYS 35 3HD LYS 35 -20.566 -16.264 2.665 190 HE2 LYS 35 2HE LYS 35 -21.717 -17.945 3.639 191 HE3 LYS 35 3HE LYS 35 -20.263 -18.879 3.986 192 HZ1 LYS 35 1HZ LYS 35 -21.077 -16.458 5.497 193 HZ2 LYS 35 2HZ LYS 35 -19.819 -17.522 5.879 194 HZ3 LYS 35 3HZ LYS 35 -21.425 -18.040 5.986 195 H LYS 36 H LYS 36 -17.485 -17.268 -0.563 196 HA LYS 36 HA LYS 36 -14.939 -15.925 -0.985 197 HB2 LYS 36 2HB LYS 36 -16.181 -17.590 -3.180 198 HB3 LYS 36 3HB LYS 36 -14.678 -16.679 -3.264 199 HG2 LYS 36 2HG LYS 36 -13.827 -18.184 -1.412 200 HG3 LYS 36 3HG LYS 36 -15.245 -19.189 -1.719 201 HD2 LYS 36 2HD LYS 36 -14.521 -19.313 -4.118 202 HD3 LYS 36 3HD LYS 36 -13.024 -18.507 -3.641 203 HE2 LYS 36 2HE LYS 36 -13.732 -20.826 -1.994 204 HE3 LYS 36 3HE LYS 36 -13.412 -21.208 -3.685 205 HZ1 LYS 36 1HZ LYS 36 -11.321 -19.805 -3.359 206 HZ2 LYS 36 2HZ LYS 36 -11.345 -21.350 -2.670 207 HZ3 LYS 36 3HZ LYS 36 -11.600 -19.988 -1.700 208 HA PRO 37 HA PRO 37 -18.624 -13.289 -1.879 209 HB2 PRO 37 2HB PRO 37 -17.625 -11.093 -0.635 210 HB3 PRO 37 3HB PRO 37 -18.510 -12.361 0.220 211 HG2 PRO 37 2HG PRO 37 -15.556 -11.925 0.010 212 HG3 PRO 37 3HG PRO 37 -16.523 -12.368 1.428 213 HD2 PRO 37 2HD PRO 37 -15.099 -14.184 0.011 214 HD3 PRO 37 3HD PRO 37 -16.626 -14.590 0.821 215 H VAL 38 H VAL 38 -15.227 -12.191 -1.876 216 HA VAL 38 HA VAL 38 -15.752 -10.682 -4.335 217 HB VAL 38 HB VAL 38 -14.091 -10.214 -2.050 218 HG11 VAL 38 1HG1 VAL 38 -12.614 -10.210 -4.681 219 HG12 VAL 38 2HG1 VAL 38 -12.004 -9.592 -3.144 220 HG13 VAL 38 3HG1 VAL 38 -12.323 -11.316 -3.339 221 HG21 VAL 38 1HG2 VAL 38 -15.241 -8.776 -4.323 222 HG22 VAL 38 2HG2 VAL 38 -15.093 -8.294 -2.633 223 HG23 VAL 38 3HG2 VAL 38 -13.727 -8.091 -3.731 224 HA PRO 39 HA PRO 39 -13.598 -13.511 -6.913 225 HB2 PRO 39 2HB PRO 39 -12.540 -11.818 -8.753 226 HB3 PRO 39 3HB PRO 39 -14.263 -12.207 -8.684 227 HG2 PRO 39 2HG PRO 39 -12.819 -9.807 -7.628 228 HG3 PRO 39 3HG PRO 39 -14.362 -9.891 -8.497 229 HD2 PRO 39 2HD PRO 39 -14.219 -9.614 -5.808 230 HD3 PRO 39 3HD PRO 39 -15.538 -10.492 -6.608 231 H ILE 40 H ILE 40 -11.651 -10.559 -6.400 232 HA ILE 40 HA ILE 40 -9.175 -11.968 -6.630 233 HB ILE 40 HB ILE 40 -8.132 -9.854 -5.905 234 HG12 ILE 40 2HG1 ILE 40 -10.040 -7.938 -5.885 235 HG13 ILE 40 3HG1 ILE 40 -10.933 -9.263 -5.145 236 HG21 ILE 40 1HG2 ILE 40 -8.590 -10.130 -8.241 237 HG22 ILE 40 2HG2 ILE 40 -10.265 -9.627 -8.020 238 HG23 ILE 40 3HG2 ILE 40 -8.958 -8.464 -7.797 239 HD11 ILE 40 1HD1 ILE 40 -8.693 -7.671 -4.103 240 HD12 ILE 40 2HD1 ILE 40 -10.049 -8.423 -3.261 241 HD13 ILE 40 3HD1 ILE 40 -8.655 -9.395 -3.733 242 H ILE 41 H ILE 41 -8.077 -13.024 -5.114 243 HA ILE 41 HA ILE 41 -9.081 -13.019 -2.382 244 HB ILE 41 HB ILE 41 -8.019 -15.031 -2.059 245 HG12 ILE 41 2HG1 ILE 41 -6.125 -14.854 -4.346 246 HG13 ILE 41 3HG1 ILE 41 -5.792 -13.839 -2.947 247 HG21 ILE 41 1HG2 ILE 41 -9.612 -15.020 -4.067 248 HG22 ILE 41 2HG2 ILE 41 -8.158 -15.180 -5.050 249 HG23 ILE 41 3HG2 ILE 41 -8.557 -16.418 -3.860 250 HD11 ILE 41 1HD1 ILE 41 -6.284 -16.229 -1.764 251 HD12 ILE 41 2HD1 ILE 41 -5.537 -16.731 -3.282 252 HD13 ILE 41 3HD1 ILE 41 -4.685 -15.627 -2.202 253 H ALA 42 H ALA 42 -7.265 -13.264 -0.656 254 HA ALA 42 HA ALA 42 -4.975 -11.537 -1.170 255 HB1 ALA 42 1HB ALA 42 -5.769 -10.489 1.208 256 HB2 ALA 42 2HB ALA 42 -6.071 -9.751 -0.366 257 HB3 ALA 42 3HB ALA 42 -7.318 -10.735 0.401 258 H CYS 43 H CYS 43 -3.214 -12.239 -0.133 259 HA CYS 43 HA CYS 43 -3.517 -14.439 1.760 260 HB2 CYS 43 2HB CYS 43 -1.036 -13.328 0.430 261 HB3 CYS 43 3HB CYS 43 -1.102 -14.775 1.430 262 H ASN 44 H ASN 44 -1.875 -14.484 3.594 263 HA ASN 44 HA ASN 44 -1.426 -11.815 4.725 264 HB2 ASN 44 2HB ASN 44 -2.520 -12.248 6.719 265 HB3 ASN 44 3HB ASN 44 -3.565 -13.081 5.571 266 HD21 ASN 44 1HD2 ASN 44 -1.804 -15.283 5.115 267 HD22 ASN 44 2HD2 ASN 44 -1.827 -16.257 6.542 268 H ARG 45 H ARG 45 0.054 -11.886 6.631 269 HA ARG 45 HA ARG 45 2.233 -13.738 6.065 270 HB2 ARG 45 2HB ARG 45 3.515 -12.247 7.637 271 HB3 ARG 45 3HB ARG 45 2.909 -11.456 6.188 272 HG2 ARG 45 2HG ARG 45 1.822 -9.964 7.407 273 HG3 ARG 45 3HG ARG 45 0.964 -11.241 8.271 274 HD2 ARG 45 2HD ARG 45 3.379 -11.406 9.453 275 HD3 ARG 45 3HD ARG 45 3.350 -9.690 9.047 276 HE ARG 45 HE ARG 45 0.957 -10.622 10.343 277 HH11 ARG 45 1HH1 ARG 45 4.174 -9.374 10.809 278 HH12 ARG 45 2HH1 ARG 45 3.844 -8.749 12.391 279 HH21 ARG 45 1HH2 ARG 45 0.510 -9.804 12.425 280 HH22 ARG 45 2HH2 ARG 45 1.759 -8.995 13.309 281 H ARG 46 H ARG 46 1.112 -15.583 6.987 282 HA ARG 46 HA ARG 46 1.426 -15.676 9.910 283 HB2 ARG 46 2HB ARG 46 -0.945 -16.393 8.262 284 HB3 ARG 46 3HB ARG 46 -0.563 -17.436 9.626 285 HG2 ARG 46 2HG ARG 46 -0.587 -15.424 11.089 286 HG3 ARG 46 3HG ARG 46 -1.148 -14.487 9.703 287 HD2 ARG 46 2HD ARG 46 -3.193 -15.008 10.479 288 HD3 ARG 46 3HD ARG 46 -2.904 -16.546 9.668 289 HE ARG 46 HE ARG 46 -2.739 -17.561 11.717 290 HH11 ARG 46 1HH1 ARG 46 -2.551 -14.108 12.121 291 HH12 ARG 46 2HH1 ARG 46 -2.650 -14.174 13.850 292 HH21 ARG 46 1HH2 ARG 46 -2.869 -17.661 13.992 293 HH22 ARG 46 2HH2 ARG 46 -2.829 -16.195 14.913 294 H THR 47 H THR 47 0.362 -18.118 7.572 295 HA THR 47 HA THR 47 2.902 -19.536 7.860 296 HB THR 47 HB THR 47 1.526 -20.465 9.646 297 HG1 THR 47 HG1 THR 47 1.935 -22.540 9.100 298 HG21 THR 47 1HG2 THR 47 -0.440 -21.839 8.051 299 HG22 THR 47 2HG2 THR 47 -0.583 -20.094 7.837 300 HG23 THR 47 3HG2 THR 47 -0.670 -20.794 9.453 301 H GLY 48 H GLY 48 0.863 -18.225 5.820 302 HA2 GLY 48 2HA GLY 48 1.107 -18.545 3.462 303 HA3 GLY 48 3HA GLY 48 1.379 -20.256 3.757 304 H LYS 49 H LYS 49 -1.155 -17.815 4.343 305 HA LYS 49 HA LYS 49 -3.093 -19.572 3.056 306 HB2 LYS 49 2HB LYS 49 -4.472 -19.886 4.854 307 HB3 LYS 49 3HB LYS 49 -2.928 -19.828 5.693 308 HG2 LYS 49 2HG LYS 49 -3.313 -17.427 6.149 309 HG3 LYS 49 3HG LYS 49 -4.907 -17.578 5.407 310 HD2 LYS 49 2HD LYS 49 -4.165 -19.470 7.585 311 HD3 LYS 49 3HD LYS 49 -4.578 -17.808 8.015 312 HE2 LYS 49 2HE LYS 49 -6.302 -19.682 6.396 313 HE3 LYS 49 3HE LYS 49 -6.525 -19.308 8.105 314 HZ1 LYS 49 1HZ LYS 49 -7.298 -17.801 5.796 315 HZ2 LYS 49 2HZ LYS 49 -6.433 -16.866 6.909 316 HZ3 LYS 49 3HZ LYS 49 -7.837 -17.676 7.395 317 H CYS 50 H CYS 50 -4.780 -18.500 2.093 318 HA CYS 50 HA CYS 50 -4.835 -15.572 2.407 319 HB2 CYS 50 2HB CYS 50 -5.434 -16.915 -0.214 320 HB3 CYS 50 3HB CYS 50 -4.998 -15.237 0.091 321 H GLN 51 H GLN 51 -6.951 -14.873 0.946 322 HA GLN 51 HA GLN 51 -9.225 -16.513 1.100 323 HB2 GLN 51 2HB GLN 51 -10.381 -15.676 3.009 324 HB3 GLN 51 3HB GLN 51 -8.787 -16.178 3.554 325 HG2 GLN 51 2HG GLN 51 -8.576 -13.468 2.830 326 HG3 GLN 51 3HG GLN 51 -10.053 -13.632 3.778 327 HE21 GLN 51 1HE2 GLN 51 -6.623 -14.485 3.777 328 HE22 GLN 51 2HE2 GLN 51 -6.417 -14.391 5.489 329 H ARG 52 H ARG 52 -11.153 -14.507 1.715 330 HA ARG 52 HA ARG 52 -11.031 -13.010 -0.758 331 HB2 ARG 52 2HB ARG 52 -13.336 -12.284 -0.107 332 HB3 ARG 52 3HB ARG 52 -13.135 -14.027 -0.227 333 HG2 ARG 52 2HG ARG 52 -12.670 -12.922 2.449 334 HG3 ARG 52 3HG ARG 52 -14.318 -12.747 1.844 335 HD2 ARG 52 2HD ARG 52 -13.903 -15.292 1.169 336 HD3 ARG 52 3HD ARG 52 -12.788 -15.191 2.530 337 HE ARG 52 HE ARG 52 -15.430 -14.175 3.076 338 HH11 ARG 52 1HH1 ARG 52 -13.354 -16.970 3.075 339 HH12 ARG 52 2HH1 ARG 52 -14.288 -17.826 4.257 340 HH21 ARG 52 1HH2 ARG 52 -16.668 -15.291 4.633 341 HH22 ARG 52 2HH2 ARG 52 -16.173 -16.870 5.141 342 H ALA 53 H ALA 53 -10.985 -10.792 -0.967 343 HA ALA 53 HA ALA 53 -9.418 -9.282 0.684 344 HB1 ALA 53 1HB ALA 53 -11.061 -8.803 -1.589 345 HB2 ALA 53 2HB ALA 53 -11.311 -7.497 -0.430 346 HB3 ALA 53 3HB ALA 53 -9.685 -7.868 -1.003 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.418 -0.691 -3.277 2 HA2 GLY 1 2HA GLY 1 5.030 -1.833 -4.861 3 HA3 GLY 1 3HA GLY 1 4.597 -0.549 -5.980 4 H SER 2 H SER 2 5.302 -0.447 -2.499 5 HA SER 2 HA SER 2 7.556 1.351 -3.107 6 HB2 SER 2 2HB SER 2 6.428 1.832 -0.486 7 HB3 SER 2 3HB SER 2 6.683 2.963 -1.815 8 HG SER 2 HG SER 2 4.697 2.348 -2.671 9 H LYS 3 H LYS 3 6.164 -0.788 -0.631 10 HA LYS 3 HA LYS 3 8.890 -1.684 0.007 11 HB2 LYS 3 2HB LYS 3 7.230 -0.177 1.714 12 HB3 LYS 3 3HB LYS 3 7.193 -1.823 2.331 13 HG2 LYS 3 2HG LYS 3 9.830 -1.560 1.936 14 HG3 LYS 3 3HG LYS 3 9.405 0.124 2.250 15 HD2 LYS 3 2HD LYS 3 8.723 -2.217 4.029 16 HD3 LYS 3 3HD LYS 3 10.037 -1.070 4.304 17 HE2 LYS 3 2HE LYS 3 8.563 0.115 5.488 18 HE3 LYS 3 3HE LYS 3 7.840 0.555 3.941 19 HZ1 LYS 3 1HZ LYS 3 6.501 -0.621 5.916 20 HZ2 LYS 3 2HZ LYS 3 6.990 -1.988 5.049 21 HZ3 LYS 3 3HZ LYS 3 6.084 -0.782 4.284 22 H LYS 4 H LYS 4 9.136 -3.840 0.197 23 HA LYS 4 HA LYS 4 6.699 -5.488 0.033 24 HB2 LYS 4 2HB LYS 4 9.436 -6.384 -0.839 25 HB3 LYS 4 3HB LYS 4 7.873 -7.064 -1.274 26 HG2 LYS 4 2HG LYS 4 7.457 -4.760 -2.381 27 HG3 LYS 4 3HG LYS 4 9.213 -4.599 -2.298 28 HD2 LYS 4 2HD LYS 4 7.777 -6.933 -3.560 29 HD3 LYS 4 3HD LYS 4 8.375 -5.533 -4.454 30 HE2 LYS 4 2HE LYS 4 10.575 -6.272 -3.014 31 HE3 LYS 4 3HE LYS 4 9.822 -7.830 -3.350 32 HZ1 LYS 4 1HZ LYS 4 11.183 -7.488 -5.169 33 HZ2 LYS 4 2HZ LYS 4 10.859 -5.830 -5.252 34 HZ3 LYS 4 3HZ LYS 4 9.686 -6.946 -5.742 35 HA PRO 5 HA PRO 5 8.610 -6.447 4.129 36 HB2 PRO 5 2HB PRO 5 6.238 -6.663 5.430 37 HB3 PRO 5 3HB PRO 5 7.069 -5.121 5.199 38 HG2 PRO 5 2HG PRO 5 4.791 -6.294 3.652 39 HG3 PRO 5 3HG PRO 5 5.021 -4.628 4.214 40 HD2 PRO 5 2HD PRO 5 5.514 -5.386 1.662 41 HD3 PRO 5 3HD PRO 5 6.435 -4.103 2.471 42 H VAL 6 H VAL 6 6.428 -7.977 1.976 43 HA VAL 6 HA VAL 6 7.211 -10.585 2.984 44 HB VAL 6 HB VAL 6 4.631 -9.494 3.575 45 HG11 VAL 6 1HG1 VAL 6 3.208 -11.286 2.704 46 HG12 VAL 6 2HG1 VAL 6 3.939 -10.350 1.399 47 HG13 VAL 6 3HG1 VAL 6 4.580 -11.941 1.810 48 HG21 VAL 6 1HG2 VAL 6 6.319 -11.778 4.279 49 HG22 VAL 6 2HG2 VAL 6 5.305 -10.758 5.301 50 HG23 VAL 6 3HG2 VAL 6 4.589 -12.097 4.403 51 HA PRO 7 HA PRO 7 7.222 -11.591 -1.292 52 HB2 PRO 7 2HB PRO 7 6.806 -14.271 -1.175 53 HB3 PRO 7 3HB PRO 7 8.332 -13.514 -0.704 54 HG2 PRO 7 2HG PRO 7 6.070 -14.449 1.019 55 HG3 PRO 7 3HG PRO 7 7.815 -14.644 1.262 56 HD2 PRO 7 2HD PRO 7 6.368 -12.749 2.545 57 HD3 PRO 7 3HD PRO 7 8.066 -12.506 2.087 58 H ILE 8 H ILE 8 4.699 -13.515 0.353 59 HA ILE 8 HA ILE 8 3.000 -13.624 -1.904 60 HB ILE 8 HB ILE 8 1.246 -14.348 -0.265 61 HG12 ILE 8 2HG1 ILE 8 2.615 -14.922 2.024 62 HG13 ILE 8 3HG1 ILE 8 3.308 -13.361 1.597 63 HG21 ILE 8 1HG2 ILE 8 2.068 -16.364 -0.681 64 HG22 ILE 8 2HG2 ILE 8 3.630 -15.643 -1.064 65 HG23 ILE 8 3HG2 ILE 8 3.275 -16.149 0.587 66 HD11 ILE 8 1HD1 ILE 8 1.008 -13.763 3.018 67 HD12 ILE 8 2HD1 ILE 8 1.470 -12.267 2.205 68 HD13 ILE 8 3HD1 ILE 8 0.407 -13.419 1.396 69 H ILE 9 H ILE 9 1.631 -12.177 -2.705 70 HA ILE 9 HA ILE 9 1.229 -9.668 -1.300 71 HB ILE 9 HB ILE 9 0.572 -8.735 -3.305 72 HG12 ILE 9 2HG1 ILE 9 0.036 -11.280 -4.751 73 HG13 ILE 9 3HG1 ILE 9 -1.144 -10.775 -3.546 74 HG21 ILE 9 1HG2 ILE 9 2.889 -9.917 -3.326 75 HG22 ILE 9 2HG2 ILE 9 2.134 -10.973 -4.518 76 HG23 ILE 9 3HG2 ILE 9 2.241 -9.238 -4.818 77 HD11 ILE 9 1HD1 ILE 9 -0.712 -9.799 -6.216 78 HD12 ILE 9 2HD1 ILE 9 -2.059 -9.514 -5.115 79 HD13 ILE 9 3HD1 ILE 9 -0.626 -8.489 -5.040 80 H ALA 10 H ALA 10 -1.090 -8.699 -1.689 81 HA ALA 10 HA ALA 10 -3.206 -10.659 -1.327 82 HB1 ALA 10 1HB ALA 10 -2.122 -10.094 0.939 83 HB2 ALA 10 2HB ALA 10 -2.934 -8.537 0.770 84 HB3 ALA 10 3HB ALA 10 -3.880 -10.025 0.807 85 H CYS 11 H CYS 11 -4.961 -10.012 -2.386 86 HA CYS 11 HA CYS 11 -5.122 -7.228 -3.265 87 HB2 CYS 11 2HB CYS 11 -6.818 -9.573 -4.139 88 HB3 CYS 11 3HB CYS 11 -6.702 -8.000 -4.920 89 H ASN 12 H ASN 12 -6.413 -5.834 -2.279 90 HA ASN 12 HA ASN 12 -8.309 -6.751 -0.298 91 HB2 ASN 12 2HB ASN 12 -8.385 -4.546 0.466 92 HB3 ASN 12 3HB ASN 12 -6.741 -4.685 -0.151 93 HD21 ASN 12 1HD2 ASN 12 -7.606 -4.626 -2.932 94 HD22 ASN 12 2HD2 ASN 12 -8.027 -2.984 -3.266 95 H ARG 13 H ARG 13 -10.533 -5.957 -0.236 96 HA ARG 13 HA ARG 13 -11.743 -6.110 -2.885 97 HB2 ARG 13 2HB ARG 13 -13.879 -6.341 -1.577 98 HB3 ARG 13 3HB ARG 13 -12.695 -7.610 -1.295 99 HG2 ARG 13 2HG ARG 13 -12.742 -7.201 0.876 100 HG3 ARG 13 3HG ARG 13 -12.253 -5.529 0.593 101 HD2 ARG 13 2HD ARG 13 -14.377 -4.739 0.744 102 HD3 ARG 13 3HD ARG 13 -15.085 -6.203 0.064 103 HE ARG 13 HE ARG 13 -15.425 -6.936 2.190 104 HH11 ARG 13 1HH1 ARG 13 -12.851 -4.591 2.236 105 HH12 ARG 13 2HH1 ARG 13 -12.685 -4.615 3.961 106 HH21 ARG 13 1HH2 ARG 13 -15.215 -6.975 4.461 107 HH22 ARG 13 2HH2 ARG 13 -14.029 -5.972 5.225 108 H ARG 14 H ARG 14 -11.073 -3.950 -3.499 109 HA ARG 14 HA ARG 14 -12.909 -1.909 -2.441 110 HB2 ARG 14 2HB ARG 14 -9.954 -1.723 -2.900 111 HB3 ARG 14 3HB ARG 14 -10.954 -0.288 -3.082 112 HG2 ARG 14 2HG ARG 14 -11.015 -1.971 -0.598 113 HG3 ARG 14 3HG ARG 14 -9.857 -0.658 -0.826 114 HD2 ARG 14 2HD ARG 14 -12.429 0.317 -1.519 115 HD3 ARG 14 3HD ARG 14 -12.568 -0.519 0.027 116 HE ARG 14 HE ARG 14 -11.319 1.986 -0.441 117 HH11 ARG 14 1HH1 ARG 14 -11.071 -0.915 1.469 118 HH12 ARG 14 2HH1 ARG 14 -10.257 -0.135 2.784 119 HH21 ARG 14 1HH2 ARG 14 -10.247 3.024 1.284 120 HH22 ARG 14 2HH2 ARG 14 -9.789 2.105 2.679 121 H THR 15 H THR 15 -10.454 -1.734 -4.984 122 HA THR 15 HA THR 15 -12.601 -1.500 -6.982 123 HB THR 15 HB THR 15 -11.888 0.763 -6.523 124 HG1 THR 15 HG1 THR 15 -11.943 1.102 -8.604 125 HG21 THR 15 1HG2 THR 15 -9.808 1.245 -5.893 126 HG22 THR 15 2HG2 THR 15 -9.200 0.745 -7.472 127 HG23 THR 15 3HG2 THR 15 -9.342 -0.433 -6.167 128 H GLY 16 H GLY 16 -9.794 -3.015 -6.017 129 HA2 GLY 16 2HA GLY 16 -9.167 -4.964 -7.383 130 HA3 GLY 16 3HA GLY 16 -9.257 -3.906 -8.783 131 H LYS 17 H LYS 17 -7.581 -4.120 -5.646 132 HA LYS 17 HA LYS 17 -5.041 -3.702 -6.995 133 HB2 LYS 17 2HB LYS 17 -4.480 -1.692 -6.078 134 HB3 LYS 17 3HB LYS 17 -6.223 -1.466 -6.142 135 HG2 LYS 17 2HG LYS 17 -6.365 -2.226 -3.792 136 HG3 LYS 17 3HG LYS 17 -4.602 -2.309 -3.749 137 HD2 LYS 17 2HD LYS 17 -4.432 -0.111 -3.418 138 HD3 LYS 17 3HD LYS 17 -5.514 0.240 -4.767 139 HE2 LYS 17 2HE LYS 17 -6.875 -0.834 -2.415 140 HE3 LYS 17 3HE LYS 17 -6.057 0.699 -2.118 141 HZ1 LYS 17 1HZ LYS 17 -7.923 1.573 -2.951 142 HZ2 LYS 17 2HZ LYS 17 -8.399 0.139 -3.710 143 HZ3 LYS 17 3HZ LYS 17 -7.281 1.163 -4.462 144 H CYS 18 H CYS 18 -3.322 -4.603 -5.930 145 HA CYS 18 HA CYS 18 -3.895 -5.844 -3.319 146 HB2 CYS 18 2HB CYS 18 -1.953 -7.113 -5.199 147 HB3 CYS 18 3HB CYS 18 -2.965 -7.855 -3.965 148 H GLN 19 H GLN 19 -1.564 -6.745 -2.505 149 HA GLN 19 HA GLN 19 0.694 -5.133 -3.013 150 HB2 GLN 19 2HB GLN 19 0.758 -3.794 -0.980 151 HB3 GLN 19 3HB GLN 19 -0.675 -3.404 -1.922 152 HG2 GLN 19 2HG GLN 19 -1.274 -5.496 -0.059 153 HG3 GLN 19 3HG GLN 19 -0.534 -4.131 0.777 154 HE21 GLN 19 1HE2 GLN 19 -3.290 -5.290 -0.925 155 HE22 GLN 19 2HE2 GLN 19 -4.295 -3.905 -0.682 156 H ARG 20 H ARG 20 2.150 -5.238 -0.803 157 HA ARG 20 HA ARG 20 2.419 -8.092 -0.344 158 HB2 ARG 20 2HB ARG 20 4.151 -5.710 0.290 159 HB3 ARG 20 3HB ARG 20 4.515 -7.316 0.907 160 HG2 ARG 20 2HG ARG 20 5.680 -7.612 -0.960 161 HG3 ARG 20 3HG ARG 20 4.124 -7.754 -1.780 162 HD2 ARG 20 2HD ARG 20 5.292 -5.049 -1.311 163 HD3 ARG 20 3HD ARG 20 5.928 -6.048 -2.617 164 HE ARG 20 HE ARG 20 3.426 -4.673 -2.570 165 HH11 ARG 20 1HH1 ARG 20 5.073 -7.476 -3.815 166 HH12 ARG 20 2HH1 ARG 20 4.037 -7.633 -5.195 167 HH21 ARG 20 1HH2 ARG 20 2.055 -4.869 -4.382 168 HH22 ARG 20 2HH2 ARG 20 2.321 -6.149 -5.517 169 H ALA 21 H ALA 21 1.821 -9.124 1.451 170 HA ALA 21 HA ALA 21 0.178 -8.053 3.386 171 HB1 ALA 21 1HB ALA 21 0.352 -10.081 4.530 172 HB2 ALA 21 2HB ALA 21 0.683 -10.507 2.851 173 HB3 ALA 21 3HB ALA 21 2.013 -10.346 3.998 174 H1 GLY 33 H GLY 33 -13.227 -24.129 1.553 175 HA2 GLY 33 2HA GLY 33 -13.143 -21.262 1.240 176 HA3 GLY 33 3HA GLY 33 -13.483 -22.123 -0.254 177 H SER 34 H SER 34 -14.800 -20.796 2.546 178 HA SER 34 HA SER 34 -17.293 -22.325 2.243 179 HB2 SER 34 2HB SER 34 -15.863 -21.343 4.536 180 HB3 SER 34 3HB SER 34 -17.472 -20.622 4.494 181 HG SER 34 HG SER 34 -18.212 -22.867 4.131 182 H LYS 35 H LYS 35 -16.401 -18.992 3.152 183 HA LYS 35 HA LYS 35 -18.699 -18.044 1.576 184 HB2 LYS 35 2HB LYS 35 -18.771 -16.114 2.986 185 HB3 LYS 35 3HB LYS 35 -18.653 -17.524 4.031 186 HG2 LYS 35 2HG LYS 35 -16.228 -17.110 4.252 187 HG3 LYS 35 3HG LYS 35 -16.422 -15.641 3.294 188 HD2 LYS 35 2HD LYS 35 -18.047 -14.821 4.988 189 HD3 LYS 35 3HD LYS 35 -17.685 -16.244 5.967 190 HE2 LYS 35 2HE LYS 35 -15.824 -15.315 6.763 191 HE3 LYS 35 3HE LYS 35 -15.267 -14.894 5.145 192 HZ1 LYS 35 1HZ LYS 35 -16.624 -12.905 5.225 193 HZ2 LYS 35 2HZ LYS 35 -15.558 -12.936 6.537 194 HZ3 LYS 35 3HZ LYS 35 -17.191 -13.314 6.765 195 H LYS 36 H LYS 36 -18.411 -16.690 -0.101 196 HA LYS 36 HA LYS 36 -15.712 -15.598 -0.544 197 HB2 LYS 36 2HB LYS 36 -17.553 -16.714 -2.667 198 HB3 LYS 36 3HB LYS 36 -15.959 -16.021 -2.938 199 HG2 LYS 36 2HG LYS 36 -14.866 -17.848 -2.067 200 HG3 LYS 36 3HG LYS 36 -16.252 -18.347 -1.095 201 HD2 LYS 36 2HD LYS 36 -17.429 -18.845 -3.286 202 HD3 LYS 36 3HD LYS 36 -15.859 -18.642 -4.065 203 HE2 LYS 36 2HE LYS 36 -15.429 -20.773 -3.604 204 HE3 LYS 36 3HE LYS 36 -15.407 -20.346 -1.894 205 HZ1 LYS 36 1HZ LYS 36 -17.320 -21.397 -1.557 206 HZ2 LYS 36 2HZ LYS 36 -17.135 -22.078 -3.094 207 HZ3 LYS 36 3HZ LYS 36 -18.063 -20.678 -2.896 208 HA PRO 37 HA PRO 37 -18.796 -12.159 -0.600 209 HB2 PRO 37 2HB PRO 37 -17.200 -10.415 0.736 210 HB3 PRO 37 3HB PRO 37 -18.245 -11.583 1.555 211 HG2 PRO 37 2HG PRO 37 -15.310 -11.740 0.986 212 HG3 PRO 37 3HG PRO 37 -16.188 -12.172 2.465 213 HD2 PRO 37 2HD PRO 37 -15.370 -14.021 0.664 214 HD3 PRO 37 3HD PRO 37 -16.849 -14.214 1.626 215 H VAL 38 H VAL 38 -15.570 -12.627 -1.692 216 HA VAL 38 HA VAL 38 -15.977 -10.688 -3.814 217 HB VAL 38 HB VAL 38 -14.309 -10.083 -1.569 218 HG11 VAL 38 1HG1 VAL 38 -12.837 -10.281 -4.195 219 HG12 VAL 38 2HG1 VAL 38 -12.220 -9.547 -2.713 220 HG13 VAL 38 3HG1 VAL 38 -12.548 -11.279 -2.770 221 HG21 VAL 38 1HG2 VAL 38 -15.447 -8.790 -3.933 222 HG22 VAL 38 2HG2 VAL 38 -15.296 -8.198 -2.279 223 HG23 VAL 38 3HG2 VAL 38 -13.928 -8.080 -3.386 224 HA PRO 39 HA PRO 39 -13.858 -13.705 -6.201 225 HB2 PRO 39 2HB PRO 39 -12.806 -12.148 -8.162 226 HB3 PRO 39 3HB PRO 39 -14.530 -12.524 -8.054 227 HG2 PRO 39 2HG PRO 39 -13.070 -10.062 -7.178 228 HG3 PRO 39 3HG PRO 39 -14.619 -10.201 -8.029 229 HD2 PRO 39 2HD PRO 39 -14.456 -9.737 -5.366 230 HD3 PRO 39 3HD PRO 39 -15.784 -10.663 -6.095 231 H ILE 40 H ILE 40 -11.866 -10.742 -6.045 232 HA ILE 40 HA ILE 40 -9.407 -12.144 -6.178 233 HB ILE 40 HB ILE 40 -8.387 -9.978 -5.461 234 HG12 ILE 40 2HG1 ILE 40 -10.412 -8.145 -5.723 235 HG13 ILE 40 3HG1 ILE 40 -11.203 -9.433 -4.821 236 HG21 ILE 40 1HG2 ILE 40 -8.553 -10.245 -7.768 237 HG22 ILE 40 2HG2 ILE 40 -10.311 -10.125 -7.752 238 HG23 ILE 40 3HG2 ILE 40 -9.327 -8.687 -7.479 239 HD11 ILE 40 1HD1 ILE 40 -9.368 -9.329 -3.166 240 HD12 ILE 40 2HD1 ILE 40 -8.710 -7.946 -4.041 241 HD13 ILE 40 3HD1 ILE 40 -10.301 -7.837 -3.287 242 H ILE 41 H ILE 41 -8.184 -13.040 -4.638 243 HA ILE 41 HA ILE 41 -9.137 -12.879 -1.869 244 HB ILE 41 HB ILE 41 -8.361 -14.981 -1.505 245 HG12 ILE 41 2HG1 ILE 41 -6.409 -15.834 -3.143 246 HG13 ILE 41 3HG1 ILE 41 -6.096 -14.103 -3.216 247 HG21 ILE 41 1HG2 ILE 41 -8.280 -15.332 -4.469 248 HG22 ILE 41 2HG2 ILE 41 -9.008 -16.360 -3.235 249 HG23 ILE 41 3HG2 ILE 41 -9.781 -14.840 -3.685 250 HD11 ILE 41 1HD1 ILE 41 -4.899 -15.564 -1.445 251 HD12 ILE 41 2HD1 ILE 41 -5.530 -13.980 -0.990 252 HD13 ILE 41 3HD1 ILE 41 -6.426 -15.440 -0.572 253 H ALA 42 H ALA 42 -7.775 -12.373 -0.160 254 HA ALA 42 HA ALA 42 -5.166 -11.220 -0.903 255 HB1 ALA 42 1HB ALA 42 -5.840 -9.246 -0.154 256 HB2 ALA 42 2HB ALA 42 -7.416 -9.921 0.260 257 HB3 ALA 42 3HB ALA 42 -6.107 -9.949 1.441 258 H CYS 43 H CYS 43 -3.472 -12.034 0.144 259 HA CYS 43 HA CYS 43 -3.942 -13.866 2.365 260 HB2 CYS 43 2HB CYS 43 -1.439 -13.298 0.762 261 HB3 CYS 43 3HB CYS 43 -1.579 -14.522 2.020 262 H ASN 44 H ASN 44 -2.008 -13.846 4.017 263 HA ASN 44 HA ASN 44 -1.363 -11.086 4.773 264 HB2 ASN 44 2HB ASN 44 -2.295 -11.212 6.869 265 HB3 ASN 44 3HB ASN 44 -3.423 -12.240 5.990 266 HD21 ASN 44 1HD2 ASN 44 -1.923 -14.533 5.719 267 HD22 ASN 44 2HD2 ASN 44 -1.659 -15.228 7.279 268 H ARG 45 H ARG 45 0.358 -10.960 6.417 269 HA ARG 45 HA ARG 45 2.383 -12.984 5.879 270 HB2 ARG 45 2HB ARG 45 3.899 -11.357 7.056 271 HB3 ARG 45 3HB ARG 45 3.136 -10.738 5.598 272 HG2 ARG 45 2HG ARG 45 2.251 -9.051 6.721 273 HG3 ARG 45 3HG ARG 45 1.488 -10.158 7.865 274 HD2 ARG 45 2HD ARG 45 2.835 -9.117 9.346 275 HD3 ARG 45 3HD ARG 45 4.028 -10.265 8.739 276 HE ARG 45 HE ARG 45 4.215 -8.090 7.080 277 HH11 ARG 45 1HH1 ARG 45 4.512 -8.656 10.502 278 HH12 ARG 45 2HH1 ARG 45 5.654 -7.375 10.747 279 HH21 ARG 45 1HH2 ARG 45 5.717 -6.401 7.390 280 HH22 ARG 45 2HH2 ARG 45 6.337 -6.093 8.976 281 H ARG 46 H ARG 46 1.338 -14.633 7.178 282 HA ARG 46 HA ARG 46 1.992 -14.332 10.030 283 HB2 ARG 46 2HB ARG 46 -0.198 -14.460 10.485 284 HB3 ARG 46 3HB ARG 46 -0.591 -14.884 8.824 285 HG2 ARG 46 2HG ARG 46 -1.347 -16.648 10.225 286 HG3 ARG 46 3HG ARG 46 0.069 -17.232 9.348 287 HD2 ARG 46 2HD ARG 46 1.087 -17.700 11.264 288 HD3 ARG 46 3HD ARG 46 0.939 -16.018 11.771 289 HE ARG 46 HE ARG 46 -1.460 -17.554 12.150 290 HH11 ARG 46 1HH1 ARG 46 1.601 -16.636 13.531 291 HH12 ARG 46 2HH1 ARG 46 1.097 -16.921 15.164 292 HH21 ARG 46 1HH2 ARG 46 -2.135 -17.932 14.295 293 HH22 ARG 46 2HH2 ARG 46 -1.028 -17.659 15.598 294 H THR 47 H THR 47 1.385 -16.575 7.357 295 HA THR 47 HA THR 47 3.660 -18.138 7.862 296 HB THR 47 HB THR 47 2.289 -18.827 9.855 297 HG1 THR 47 HG1 THR 47 2.644 -21.023 8.102 298 HG21 THR 47 1HG2 THR 47 0.245 -19.792 9.683 299 HG22 THR 47 2HG2 THR 47 0.629 -20.581 8.153 300 HG23 THR 47 3HG2 THR 47 0.181 -18.876 8.178 301 H GLY 48 H GLY 48 0.608 -17.614 6.358 302 HA2 GLY 48 2HA GLY 48 0.979 -18.011 3.830 303 HA3 GLY 48 3HA GLY 48 1.161 -19.683 4.340 304 H LYS 49 H LYS 49 -1.113 -16.971 4.775 305 HA LYS 49 HA LYS 49 -3.312 -18.913 4.489 306 HB2 LYS 49 2HB LYS 49 -2.987 -16.493 6.213 307 HB3 LYS 49 3HB LYS 49 -4.600 -16.929 5.664 308 HG2 LYS 49 2HG LYS 49 -4.138 -19.239 6.604 309 HG3 LYS 49 3HG LYS 49 -2.729 -18.521 7.389 310 HD2 LYS 49 2HD LYS 49 -4.704 -16.749 8.039 311 HD3 LYS 49 3HD LYS 49 -5.577 -18.283 8.038 312 HE2 LYS 49 2HE LYS 49 -4.031 -19.224 9.619 313 HE3 LYS 49 3HE LYS 49 -2.996 -17.800 9.519 314 HZ1 LYS 49 1HZ LYS 49 -5.488 -18.185 10.968 315 HZ2 LYS 49 2HZ LYS 49 -5.279 -16.671 10.243 316 HZ3 LYS 49 3HZ LYS 49 -4.142 -17.238 11.360 317 H CYS 50 H CYS 50 -5.179 -18.252 3.320 318 HA CYS 50 HA CYS 50 -5.037 -15.801 1.767 319 HB2 CYS 50 2HB CYS 50 -4.862 -18.550 0.551 320 HB3 CYS 50 3HB CYS 50 -5.502 -17.183 -0.356 321 H GLN 51 H GLN 51 -7.014 -15.016 1.242 322 HA GLN 51 HA GLN 51 -9.348 -16.664 1.088 323 HB2 GLN 51 2HB GLN 51 -10.539 -15.557 2.983 324 HB3 GLN 51 3HB GLN 51 -9.227 -16.616 3.485 325 HG2 GLN 51 2HG GLN 51 -8.449 -13.820 3.096 326 HG3 GLN 51 3HG GLN 51 -9.624 -14.087 4.383 327 HE21 GLN 51 1HE2 GLN 51 -6.436 -14.935 3.203 328 HE22 GLN 51 2HE2 GLN 51 -5.798 -15.442 4.726 329 H ARG 52 H ARG 52 -11.382 -15.118 1.094 330 HA ARG 52 HA ARG 52 -10.811 -13.116 -0.915 331 HB2 ARG 52 2HB ARG 52 -13.518 -13.706 0.262 332 HB3 ARG 52 3HB ARG 52 -13.135 -13.067 -1.331 333 HG2 ARG 52 2HG ARG 52 -12.575 -15.867 -0.372 334 HG3 ARG 52 3HG ARG 52 -13.881 -15.378 -1.454 335 HD2 ARG 52 2HD ARG 52 -12.322 -14.722 -3.146 336 HD3 ARG 52 3HD ARG 52 -10.960 -14.946 -2.049 337 HE ARG 52 HE ARG 52 -11.035 -17.207 -2.455 338 HH11 ARG 52 1HH1 ARG 52 -13.910 -15.695 -3.708 339 HH12 ARG 52 2HH1 ARG 52 -14.441 -17.108 -4.557 340 HH21 ARG 52 1HH2 ARG 52 -11.723 -19.074 -3.569 341 HH22 ARG 52 2HH2 ARG 52 -13.197 -19.030 -4.477 342 H ALA 53 H ALA 53 -10.745 -10.975 -0.623 343 HA ALA 53 HA ALA 53 -12.175 -9.569 1.366 344 HB1 ALA 53 1HB ALA 53 -9.319 -10.246 1.971 345 HB2 ALA 53 2HB ALA 53 -10.066 -8.780 2.606 346 HB3 ALA 53 3HB ALA 53 -10.734 -10.359 3.017 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.297 -1.752 -1.335 2 HA2 GLY 1 2HA GLY 1 2.362 -1.251 -3.355 3 HA3 GLY 1 3HA GLY 1 1.459 0.233 -3.085 4 H SER 2 H SER 2 4.002 -0.539 -0.887 5 HA SER 2 HA SER 2 5.637 1.591 -2.095 6 HB2 SER 2 2HB SER 2 4.632 1.718 0.344 7 HB3 SER 2 3HB SER 2 6.020 0.705 0.738 8 HG SER 2 HG SER 2 7.378 2.305 -0.011 9 H LYS 3 H LYS 3 6.029 -1.348 -0.110 10 HA LYS 3 HA LYS 3 8.395 -2.014 -1.728 11 HB2 LYS 3 2HB LYS 3 9.541 -2.822 0.268 12 HB3 LYS 3 3HB LYS 3 9.128 -1.122 0.442 13 HG2 LYS 3 2HG LYS 3 7.572 -1.522 2.071 14 HG3 LYS 3 3HG LYS 3 7.248 -3.165 1.513 15 HD2 LYS 3 2HD LYS 3 8.420 -3.458 3.517 16 HD3 LYS 3 3HD LYS 3 9.642 -3.688 2.264 17 HE2 LYS 3 2HE LYS 3 9.386 -0.910 3.086 18 HE3 LYS 3 3HE LYS 3 9.811 -1.974 4.425 19 HZ1 LYS 3 1HZ LYS 3 11.840 -1.351 3.513 20 HZ2 LYS 3 2HZ LYS 3 11.296 -1.491 1.918 21 HZ3 LYS 3 3HZ LYS 3 11.572 -2.881 2.843 22 H LYS 4 H LYS 4 9.060 -4.390 -1.232 23 HA LYS 4 HA LYS 4 6.679 -6.071 -0.883 24 HB2 LYS 4 2HB LYS 4 8.687 -6.369 -3.125 25 HB3 LYS 4 3HB LYS 4 7.339 -7.451 -2.804 26 HG2 LYS 4 2HG LYS 4 5.989 -5.160 -3.022 27 HG3 LYS 4 3HG LYS 4 7.372 -4.773 -4.050 28 HD2 LYS 4 2HD LYS 4 6.690 -7.334 -4.824 29 HD3 LYS 4 3HD LYS 4 5.128 -6.565 -4.532 30 HE2 LYS 4 2HE LYS 4 5.360 -5.135 -6.269 31 HE3 LYS 4 3HE LYS 4 7.098 -4.961 -6.032 32 HZ1 LYS 4 1HZ LYS 4 6.772 -7.551 -6.839 33 HZ2 LYS 4 2HZ LYS 4 7.315 -6.268 -7.797 34 HZ3 LYS 4 3HZ LYS 4 5.678 -6.692 -7.802 35 HA PRO 5 HA PRO 5 10.209 -7.610 1.664 36 HB2 PRO 5 2HB PRO 5 8.671 -8.215 3.818 37 HB3 PRO 5 3HB PRO 5 9.337 -6.602 3.536 38 HG2 PRO 5 2HG PRO 5 6.586 -7.642 2.974 39 HG3 PRO 5 3HG PRO 5 7.073 -6.088 3.677 40 HD2 PRO 5 2HD PRO 5 6.352 -6.350 1.080 41 HD3 PRO 5 3HD PRO 5 7.561 -5.168 1.621 42 H VAL 6 H VAL 6 6.917 -8.965 1.480 43 HA VAL 6 HA VAL 6 8.052 -11.668 1.549 44 HB VAL 6 HB VAL 6 5.634 -10.517 2.559 45 HG11 VAL 6 1HG1 VAL 6 4.620 -11.193 0.443 46 HG12 VAL 6 2HG1 VAL 6 5.215 -12.838 0.677 47 HG13 VAL 6 3HG1 VAL 6 4.012 -12.169 1.780 48 HG21 VAL 6 1HG2 VAL 6 6.461 -11.927 4.092 49 HG22 VAL 6 2HG2 VAL 6 5.578 -13.174 3.211 50 HG23 VAL 6 3HG2 VAL 6 7.289 -12.906 2.882 51 HA PRO 7 HA PRO 7 7.427 -12.391 -2.738 52 HB2 PRO 7 2HB PRO 7 6.865 -15.047 -2.726 53 HB3 PRO 7 3HB PRO 7 8.484 -14.406 -2.421 54 HG2 PRO 7 2HG PRO 7 6.416 -15.333 -0.467 55 HG3 PRO 7 3HG PRO 7 8.163 -15.637 -0.475 56 HD2 PRO 7 2HD PRO 7 7.018 -13.758 1.104 57 HD3 PRO 7 3HD PRO 7 8.652 -13.576 0.435 58 H ILE 8 H ILE 8 5.014 -14.200 -0.821 59 HA ILE 8 HA ILE 8 3.028 -14.048 -2.860 60 HB ILE 8 HB ILE 8 1.479 -14.892 -1.096 61 HG12 ILE 8 2HG1 ILE 8 3.109 -15.720 0.942 62 HG13 ILE 8 3HG1 ILE 8 3.766 -14.126 0.588 63 HG21 ILE 8 1HG2 ILE 8 3.316 -16.229 -2.501 64 HG22 ILE 8 2HG2 ILE 8 3.861 -16.629 -0.873 65 HG23 ILE 8 3HG2 ILE 8 2.215 -17.018 -1.372 66 HD11 ILE 8 1HD1 ILE 8 1.222 -13.446 0.679 67 HD12 ILE 8 2HD1 ILE 8 1.123 -14.891 1.686 68 HD13 ILE 8 3HD1 ILE 8 2.204 -13.573 2.139 69 H ILE 9 H ILE 9 1.690 -12.436 -3.319 70 HA ILE 9 HA ILE 9 1.506 -10.182 -1.457 71 HB ILE 9 HB ILE 9 1.171 -8.801 -3.221 72 HG12 ILE 9 2HG1 ILE 9 0.131 -9.938 -5.434 73 HG13 ILE 9 3HG1 ILE 9 -0.541 -11.012 -4.211 74 HG21 ILE 9 1HG2 ILE 9 3.227 -10.129 -3.680 75 HG22 ILE 9 2HG2 ILE 9 2.275 -11.142 -4.763 76 HG23 ILE 9 3HG2 ILE 9 2.490 -9.429 -5.121 77 HD11 ILE 9 1HD1 ILE 9 -1.920 -9.428 -3.388 78 HD12 ILE 9 2HD1 ILE 9 -0.789 -8.114 -3.713 79 HD13 ILE 9 3HD1 ILE 9 -1.756 -8.790 -5.023 80 H ALA 10 H ALA 10 -0.531 -9.202 -0.985 81 HA ALA 10 HA ALA 10 -2.851 -10.980 -1.342 82 HB1 ALA 10 1HB ALA 10 -1.556 -10.406 1.085 83 HB2 ALA 10 2HB ALA 10 -3.074 -9.507 1.104 84 HB3 ALA 10 3HB ALA 10 -3.086 -11.252 0.847 85 H CYS 11 H CYS 11 -4.620 -10.020 -2.121 86 HA CYS 11 HA CYS 11 -4.606 -7.093 -2.351 87 HB2 CYS 11 2HB CYS 11 -6.062 -9.240 -3.897 88 HB3 CYS 11 3HB CYS 11 -6.416 -7.525 -4.076 89 H ASN 12 H ASN 12 -6.050 -5.871 -1.310 90 HA ASN 12 HA ASN 12 -7.903 -7.145 0.506 91 HB2 ASN 12 2HB ASN 12 -8.077 -5.084 1.574 92 HB3 ASN 12 3HB ASN 12 -6.440 -5.028 0.927 93 HD21 ASN 12 1HD2 ASN 12 -7.313 -4.618 -1.803 94 HD22 ASN 12 2HD2 ASN 12 -7.860 -2.981 -1.898 95 H ARG 13 H ARG 13 -10.162 -6.344 0.681 96 HA ARG 13 HA ARG 13 -11.375 -6.305 -1.971 97 HB2 ARG 13 2HB ARG 13 -13.499 -6.698 -0.711 98 HB3 ARG 13 3HB ARG 13 -12.280 -7.943 -0.472 99 HG2 ARG 13 2HG ARG 13 -12.481 -7.675 1.713 100 HG3 ARG 13 3HG ARG 13 -11.874 -6.027 1.546 101 HD2 ARG 13 2HD ARG 13 -13.929 -5.110 1.736 102 HD3 ARG 13 3HD ARG 13 -14.709 -6.421 0.853 103 HE ARG 13 HE ARG 13 -13.796 -7.165 3.477 104 HH11 ARG 13 1HH1 ARG 13 -16.405 -5.787 1.629 105 HH12 ARG 13 2HH1 ARG 13 -17.618 -6.189 2.798 106 HH21 ARG 13 1HH2 ARG 13 -15.384 -7.700 5.024 107 HH22 ARG 13 2HH2 ARG 13 -17.037 -7.276 4.729 108 H ARG 14 H ARG 14 -10.745 -4.095 -2.417 109 HA ARG 14 HA ARG 14 -12.609 -2.172 -1.200 110 HB2 ARG 14 2HB ARG 14 -9.656 -1.933 -1.592 111 HB3 ARG 14 3HB ARG 14 -10.650 -0.491 -1.744 112 HG2 ARG 14 2HG ARG 14 -10.775 -2.278 0.664 113 HG3 ARG 14 3HG ARG 14 -9.624 -0.948 0.525 114 HD2 ARG 14 2HD ARG 14 -11.684 0.497 -0.012 115 HD3 ARG 14 3HD ARG 14 -12.619 -0.845 0.649 116 HE ARG 14 HE ARG 14 -10.549 -0.059 2.428 117 HH11 ARG 14 1HH1 ARG 14 -13.703 0.853 1.268 118 HH12 ARG 14 2HH1 ARG 14 -14.135 1.699 2.717 119 HH21 ARG 14 1HH2 ARG 14 -11.106 1.052 4.341 120 HH22 ARG 14 2HH2 ARG 14 -12.657 1.812 4.464 121 H THR 15 H THR 15 -10.153 -1.790 -3.724 122 HA THR 15 HA THR 15 -12.266 -1.536 -5.739 123 HB THR 15 HB THR 15 -11.866 0.747 -5.025 124 HG1 THR 15 HG1 THR 15 -11.024 1.545 -7.104 125 HG21 THR 15 1HG2 THR 15 -9.206 1.195 -5.926 126 HG22 THR 15 2HG2 THR 15 -9.177 -0.138 -4.771 127 HG23 THR 15 3HG2 THR 15 -9.869 1.417 -4.307 128 H GLY 16 H GLY 16 -9.551 -3.041 -4.850 129 HA2 GLY 16 2HA GLY 16 -8.627 -4.655 -6.426 130 HA3 GLY 16 3HA GLY 16 -8.679 -3.393 -7.648 131 H LYS 17 H LYS 17 -7.297 -3.887 -4.397 132 HA LYS 17 HA LYS 17 -4.821 -2.627 -5.380 133 HB2 LYS 17 2HB LYS 17 -6.307 -2.394 -2.830 134 HB3 LYS 17 3HB LYS 17 -4.555 -2.463 -2.698 135 HG2 LYS 17 2HG LYS 17 -4.417 -0.576 -4.306 136 HG3 LYS 17 3HG LYS 17 -6.178 -0.464 -4.257 137 HD2 LYS 17 2HD LYS 17 -5.355 1.150 -2.726 138 HD3 LYS 17 3HD LYS 17 -5.972 -0.190 -1.757 139 HE2 LYS 17 2HE LYS 17 -3.186 -0.565 -2.437 140 HE3 LYS 17 3HE LYS 17 -3.445 0.969 -1.607 141 HZ1 LYS 17 1HZ LYS 17 -3.541 -1.694 -0.571 142 HZ2 LYS 17 2HZ LYS 17 -4.934 -0.817 -0.186 143 HZ3 LYS 17 3HZ LYS 17 -3.413 -0.223 0.253 144 H CYS 18 H CYS 18 -2.835 -3.548 -4.824 145 HA CYS 18 HA CYS 18 -2.927 -6.196 -3.555 146 HB2 CYS 18 2HB CYS 18 -1.627 -5.484 -6.184 147 HB3 CYS 18 3HB CYS 18 -1.200 -6.928 -5.271 148 H GLN 19 H GLN 19 -1.113 -6.775 -2.381 149 HA GLN 19 HA GLN 19 1.304 -5.260 -2.420 150 HB2 GLN 19 2HB GLN 19 1.164 -4.274 -0.208 151 HB3 GLN 19 3HB GLN 19 -0.158 -3.683 -1.205 152 HG2 GLN 19 2HG GLN 19 -0.813 -6.068 0.352 153 HG3 GLN 19 3HG GLN 19 -0.403 -4.656 1.324 154 HE21 GLN 19 1HE2 GLN 19 -2.399 -5.645 -1.427 155 HE22 GLN 19 2HE2 GLN 19 -3.723 -4.596 -1.068 156 H ARG 20 H ARG 20 2.323 -5.785 0.057 157 HA ARG 20 HA ARG 20 2.687 -8.647 -0.086 158 HB2 ARG 20 2HB ARG 20 4.461 -8.322 1.523 159 HB3 ARG 20 3HB ARG 20 4.591 -7.100 0.265 160 HG2 ARG 20 2HG ARG 20 3.036 -6.354 2.660 161 HG3 ARG 20 3HG ARG 20 4.777 -6.554 2.874 162 HD2 ARG 20 2HD ARG 20 4.863 -5.087 0.684 163 HD3 ARG 20 3HD ARG 20 3.271 -4.573 1.240 164 HE ARG 20 HE ARG 20 5.336 -4.444 3.248 165 HH11 ARG 20 1HH1 ARG 20 3.699 -2.763 0.676 166 HH12 ARG 20 2HH1 ARG 20 4.112 -1.188 1.268 167 HH21 ARG 20 1HH2 ARG 20 5.885 -2.376 4.037 168 HH22 ARG 20 2HH2 ARG 20 5.356 -0.969 3.179 169 H ALA 21 H ALA 21 2.469 -10.074 1.728 170 HA ALA 21 HA ALA 21 0.031 -10.125 2.951 171 HB1 ALA 21 1HB ALA 21 2.655 -11.348 3.692 172 HB2 ALA 21 2HB ALA 21 1.251 -11.559 4.739 173 HB3 ALA 21 3HB ALA 21 1.196 -12.117 3.067 174 H1 GLY 33 H GLY 33 -11.657 -17.994 4.749 175 HA2 GLY 33 2HA GLY 33 -9.930 -19.316 3.737 176 HA3 GLY 33 3HA GLY 33 -9.662 -20.088 5.293 177 H SER 34 H SER 34 -12.923 -19.629 4.296 178 HA SER 34 HA SER 34 -13.081 -22.412 3.363 179 HB2 SER 34 2HB SER 34 -14.713 -21.090 5.521 180 HB3 SER 34 3HB SER 34 -15.327 -22.482 4.631 181 HG SER 34 HG SER 34 -12.958 -22.354 6.187 182 H LYS 35 H LYS 35 -14.841 -19.339 3.674 183 HA LYS 35 HA LYS 35 -16.405 -19.992 1.292 184 HB2 LYS 35 2HB LYS 35 -16.623 -17.646 3.189 185 HB3 LYS 35 3HB LYS 35 -17.727 -17.999 1.866 186 HG2 LYS 35 2HG LYS 35 -17.274 -19.684 4.319 187 HG3 LYS 35 3HG LYS 35 -18.693 -18.698 3.960 188 HD2 LYS 35 2HD LYS 35 -19.187 -20.092 2.022 189 HD3 LYS 35 3HD LYS 35 -17.744 -21.060 2.337 190 HE2 LYS 35 2HE LYS 35 -19.945 -20.735 4.360 191 HE3 LYS 35 3HE LYS 35 -19.968 -22.004 3.136 192 HZ1 LYS 35 1HZ LYS 35 -18.466 -23.188 4.250 193 HZ2 LYS 35 2HZ LYS 35 -18.785 -22.179 5.569 194 HZ3 LYS 35 3HZ LYS 35 -17.476 -21.849 4.550 195 H LYS 36 H LYS 36 -16.816 -18.038 -0.196 196 HA LYS 36 HA LYS 36 -14.342 -16.507 -0.609 197 HB2 LYS 36 2HB LYS 36 -15.881 -17.966 -2.765 198 HB3 LYS 36 3HB LYS 36 -14.505 -16.906 -3.035 199 HG2 LYS 36 2HG LYS 36 -13.795 -18.904 -1.119 200 HG3 LYS 36 3HG LYS 36 -14.493 -19.672 -2.547 201 HD2 LYS 36 2HD LYS 36 -12.810 -18.962 -3.920 202 HD3 LYS 36 3HD LYS 36 -12.502 -17.506 -2.970 203 HE2 LYS 36 2HE LYS 36 -11.869 -20.247 -1.919 204 HE3 LYS 36 3HE LYS 36 -10.733 -19.359 -2.932 205 HZ1 LYS 36 1HZ LYS 36 -11.875 -18.021 -0.584 206 HZ2 LYS 36 2HZ LYS 36 -10.367 -17.802 -1.320 207 HZ3 LYS 36 3HZ LYS 36 -10.645 -19.159 -0.349 208 HA PRO 37 HA PRO 37 -18.036 -13.734 -0.682 209 HB2 PRO 37 2HB PRO 37 -16.836 -11.739 0.715 210 HB3 PRO 37 3HB PRO 37 -17.647 -13.103 1.493 211 HG2 PRO 37 2HG PRO 37 -14.728 -12.674 0.985 212 HG3 PRO 37 3HG PRO 37 -15.531 -13.297 2.438 213 HD2 PRO 37 2HD PRO 37 -14.336 -14.916 0.627 214 HD3 PRO 37 3HD PRO 37 -15.766 -15.413 1.555 215 H VAL 38 H VAL 38 -14.632 -12.691 -0.952 216 HA VAL 38 HA VAL 38 -15.404 -10.843 -3.093 217 HB VAL 38 HB VAL 38 -13.442 -10.747 -1.003 218 HG11 VAL 38 1HG1 VAL 38 -11.509 -9.979 -2.276 219 HG12 VAL 38 2HG1 VAL 38 -11.899 -11.653 -2.673 220 HG13 VAL 38 3HG1 VAL 38 -12.340 -10.356 -3.784 221 HG21 VAL 38 1HG2 VAL 38 -14.815 -8.957 -2.883 222 HG22 VAL 38 2HG2 VAL 38 -14.497 -8.766 -1.159 223 HG23 VAL 38 3HG2 VAL 38 -13.238 -8.390 -2.334 224 HA PRO 39 HA PRO 39 -13.699 -13.327 -6.290 225 HB2 PRO 39 2HB PRO 39 -12.844 -11.411 -8.012 226 HB3 PRO 39 3HB PRO 39 -14.553 -11.787 -7.765 227 HG2 PRO 39 2HG PRO 39 -12.914 -9.568 -6.602 228 HG3 PRO 39 3HG PRO 39 -14.560 -9.517 -7.260 229 HD2 PRO 39 2HD PRO 39 -14.056 -9.610 -4.601 230 HD3 PRO 39 3HD PRO 39 -15.494 -10.357 -5.327 231 H ILE 40 H ILE 40 -11.615 -10.491 -5.671 232 HA ILE 40 HA ILE 40 -9.235 -11.903 -6.397 233 HB ILE 40 HB ILE 40 -8.040 -9.902 -5.590 234 HG12 ILE 40 2HG1 ILE 40 -9.922 -7.985 -5.127 235 HG13 ILE 40 3HG1 ILE 40 -10.674 -9.382 -4.366 236 HG21 ILE 40 1HG2 ILE 40 -10.193 -9.866 -7.588 237 HG22 ILE 40 2HG2 ILE 40 -9.612 -8.279 -7.085 238 HG23 ILE 40 3HG2 ILE 40 -8.485 -9.461 -7.750 239 HD11 ILE 40 1HD1 ILE 40 -8.011 -9.409 -3.524 240 HD12 ILE 40 2HD1 ILE 40 -8.536 -7.727 -3.426 241 HD13 ILE 40 3HD1 ILE 40 -9.439 -8.984 -2.580 242 H ILE 41 H ILE 41 -8.015 -13.172 -5.170 243 HA ILE 41 HA ILE 41 -8.656 -13.494 -2.361 244 HB ILE 41 HB ILE 41 -7.548 -15.504 -2.420 245 HG12 ILE 41 2HG1 ILE 41 -5.906 -14.997 -4.846 246 HG13 ILE 41 3HG1 ILE 41 -5.444 -14.145 -3.377 247 HG21 ILE 41 1HG2 ILE 41 -8.198 -16.659 -4.371 248 HG22 ILE 41 2HG2 ILE 41 -9.351 -15.337 -4.191 249 HG23 ILE 41 3HG2 ILE 41 -8.045 -15.215 -5.370 250 HD11 ILE 41 1HD1 ILE 41 -5.124 -16.942 -4.099 251 HD12 ILE 41 2HD1 ILE 41 -4.263 -15.968 -2.907 252 HD13 ILE 41 3HD1 ILE 41 -5.808 -16.708 -2.491 253 H ALA 42 H ALA 42 -6.652 -13.906 -0.893 254 HA ALA 42 HA ALA 42 -4.446 -12.087 -1.434 255 HB1 ALA 42 1HB ALA 42 -5.429 -11.600 1.243 256 HB2 ALA 42 2HB ALA 42 -5.017 -10.455 -0.034 257 HB3 ALA 42 3HB ALA 42 -6.626 -11.176 0.019 258 H CYS 43 H CYS 43 -2.585 -12.872 -0.667 259 HA CYS 43 HA CYS 43 -2.681 -15.275 0.983 260 HB2 CYS 43 2HB CYS 43 -0.363 -13.966 -0.456 261 HB3 CYS 43 3HB CYS 43 -0.296 -15.507 0.393 262 H ASN 44 H ASN 44 -0.893 -15.503 2.647 263 HA ASN 44 HA ASN 44 -0.338 -12.972 4.023 264 HB2 ASN 44 2HB ASN 44 -1.246 -13.635 6.048 265 HB3 ASN 44 3HB ASN 44 -2.394 -14.340 4.913 266 HD21 ASN 44 1HD2 ASN 44 -0.681 -16.463 4.054 267 HD22 ASN 44 2HD2 ASN 44 -0.580 -17.592 5.357 268 H ARG 45 H ARG 45 1.320 -13.224 5.747 269 HA ARG 45 HA ARG 45 3.432 -14.987 4.789 270 HB2 ARG 45 2HB ARG 45 4.853 -13.669 6.396 271 HB3 ARG 45 3HB ARG 45 4.116 -12.725 5.108 272 HG2 ARG 45 2HG ARG 45 2.933 -11.481 6.537 273 HG3 ARG 45 3HG ARG 45 2.503 -12.868 7.540 274 HD2 ARG 45 2HD ARG 45 4.281 -12.592 8.920 275 HD3 ARG 45 3HD ARG 45 5.325 -11.997 7.631 276 HE ARG 45 HE ARG 45 3.809 -10.429 9.445 277 HH11 ARG 45 1HH1 ARG 45 4.910 -10.546 6.144 278 HH12 ARG 45 2HH1 ARG 45 4.889 -8.826 5.939 279 HH21 ARG 45 1HH2 ARG 45 3.778 -8.162 9.188 280 HH22 ARG 45 2HH2 ARG 45 4.247 -7.471 7.671 281 H ARG 46 H ARG 46 2.406 -16.937 5.593 282 HA ARG 46 HA ARG 46 2.983 -17.354 8.447 283 HB2 ARG 46 2HB ARG 46 0.482 -17.962 6.936 284 HB3 ARG 46 3HB ARG 46 0.985 -19.077 8.200 285 HG2 ARG 46 2HG ARG 46 0.702 -16.128 8.681 286 HG3 ARG 46 3HG ARG 46 -0.643 -17.255 8.858 287 HD2 ARG 46 2HD ARG 46 0.135 -18.054 10.801 288 HD3 ARG 46 3HD ARG 46 1.796 -18.118 10.213 289 HE ARG 46 HE ARG 46 2.181 -16.124 11.250 290 HH11 ARG 46 1HH1 ARG 46 -1.252 -16.509 10.818 291 HH12 ARG 46 2HH1 ARG 46 -1.656 -15.082 11.714 292 HH21 ARG 46 1HH2 ARG 46 1.662 -14.244 12.431 293 HH22 ARG 46 2HH2 ARG 46 0.002 -13.794 12.630 294 H THR 47 H THR 47 1.728 -19.510 5.924 295 HA THR 47 HA THR 47 4.279 -20.926 5.823 296 HB THR 47 HB THR 47 3.080 -22.067 7.617 297 HG1 THR 47 HG1 THR 47 2.853 -24.182 6.373 298 HG21 THR 47 1HG2 THR 47 0.879 -22.429 7.590 299 HG22 THR 47 2HG2 THR 47 0.982 -23.275 6.046 300 HG23 THR 47 3HG2 THR 47 0.809 -21.521 6.081 301 H GLY 48 H GLY 48 2.054 -19.423 4.146 302 HA2 GLY 48 2HA GLY 48 2.072 -19.475 1.754 303 HA3 GLY 48 3HA GLY 48 2.371 -21.205 1.829 304 H LYS 49 H LYS 49 -0.095 -18.874 2.929 305 HA LYS 49 HA LYS 49 -2.147 -20.491 1.636 306 HB2 LYS 49 2HB LYS 49 -3.340 -21.039 3.506 307 HB3 LYS 49 3HB LYS 49 -1.725 -21.045 4.203 308 HG2 LYS 49 2HG LYS 49 -2.091 -18.717 4.961 309 HG3 LYS 49 3HG LYS 49 -3.747 -18.820 4.358 310 HD2 LYS 49 2HD LYS 49 -4.431 -19.992 6.139 311 HD3 LYS 49 3HD LYS 49 -3.021 -21.053 6.085 312 HE2 LYS 49 2HE LYS 49 -1.791 -18.918 7.004 313 HE3 LYS 49 3HE LYS 49 -3.414 -18.476 7.532 314 HZ1 LYS 49 1HZ LYS 49 -1.745 -19.983 8.962 315 HZ2 LYS 49 2HZ LYS 49 -2.599 -21.191 8.142 316 HZ3 LYS 49 3HZ LYS 49 -3.430 -20.068 9.097 317 H CYS 50 H CYS 50 -3.913 -19.331 0.964 318 HA CYS 50 HA CYS 50 -3.933 -16.459 1.621 319 HB2 CYS 50 2HB CYS 50 -4.810 -17.501 -1.058 320 HB3 CYS 50 3HB CYS 50 -4.331 -15.866 -0.612 321 H GLN 51 H GLN 51 -6.187 -15.615 0.481 322 HA GLN 51 HA GLN 51 -8.438 -17.283 0.685 323 HB2 GLN 51 2HB GLN 51 -9.390 -16.654 2.786 324 HB3 GLN 51 3HB GLN 51 -7.759 -17.234 3.098 325 HG2 GLN 51 2HG GLN 51 -7.624 -14.437 2.662 326 HG3 GLN 51 3HG GLN 51 -8.927 -14.754 3.806 327 HE21 GLN 51 1HE2 GLN 51 -5.541 -15.516 3.140 328 HE22 GLN 51 2HE2 GLN 51 -5.059 -15.639 4.795 329 H ARG 52 H ARG 52 -10.238 -15.316 1.786 330 HA ARG 52 HA ARG 52 -10.426 -13.595 -0.533 331 HB2 ARG 52 2HB ARG 52 -12.607 -12.942 0.413 332 HB3 ARG 52 3HB ARG 52 -12.442 -14.687 0.274 333 HG2 ARG 52 2HG ARG 52 -13.275 -14.635 2.364 334 HG3 ARG 52 3HG ARG 52 -11.583 -14.367 2.789 335 HD2 ARG 52 2HD ARG 52 -11.908 -12.150 3.256 336 HD3 ARG 52 3HD ARG 52 -13.260 -12.002 2.134 337 HE ARG 52 HE ARG 52 -13.976 -13.691 4.275 338 HH11 ARG 52 1HH1 ARG 52 -13.362 -10.342 3.547 339 HH12 ARG 52 2HH1 ARG 52 -14.412 -9.744 4.790 340 HH21 ARG 52 1HH2 ARG 52 -15.360 -12.916 5.915 341 HH22 ARG 52 2HH2 ARG 52 -15.547 -11.209 6.136 342 H ALA 53 H ALA 53 -10.165 -11.417 -0.589 343 HA ALA 53 HA ALA 53 -9.282 -9.395 -0.008 344 HB1 ALA 53 1HB ALA 53 -10.341 -8.299 1.767 345 HB2 ALA 53 2HB ALA 53 -11.514 -9.503 1.231 346 HB3 ALA 53 3HB ALA 53 -10.552 -9.792 2.681 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.257 -0.478 -5.369 2 HA2 GLY 1 2HA GLY 1 5.205 -2.063 -4.628 3 HA3 GLY 1 3HA GLY 1 5.388 -1.147 -6.117 4 H SER 2 H SER 2 5.425 0.172 -2.847 5 HA SER 2 HA SER 2 8.057 1.302 -3.384 6 HB2 SER 2 2HB SER 2 6.935 3.026 -2.429 7 HB3 SER 2 3HB SER 2 5.789 1.960 -1.617 8 HG SER 2 HG SER 2 6.986 2.802 -0.002 9 H LYS 3 H LYS 3 6.472 -0.464 -0.722 10 HA LYS 3 HA LYS 3 9.112 -1.570 -0.018 11 HB2 LYS 3 2HB LYS 3 7.997 0.049 1.634 12 HB3 LYS 3 3HB LYS 3 6.836 -1.239 1.928 13 HG2 LYS 3 2HG LYS 3 8.926 -2.691 2.392 14 HG3 LYS 3 3HG LYS 3 9.751 -1.141 2.577 15 HD2 LYS 3 2HD LYS 3 7.970 -0.505 4.231 16 HD3 LYS 3 3HD LYS 3 7.394 -2.171 4.149 17 HE2 LYS 3 2HE LYS 3 9.360 -3.015 5.102 18 HE3 LYS 3 3HE LYS 3 10.257 -1.532 4.781 19 HZ1 LYS 3 1HZ LYS 3 8.738 -2.237 7.066 20 HZ2 LYS 3 2HZ LYS 3 8.138 -0.806 6.392 21 HZ3 LYS 3 3HZ LYS 3 9.767 -0.914 6.837 22 H LYS 4 H LYS 4 9.306 -3.708 -0.129 23 HA LYS 4 HA LYS 4 6.845 -5.321 -0.284 24 HB2 LYS 4 2HB LYS 4 8.270 -6.962 -1.557 25 HB3 LYS 4 3HB LYS 4 7.972 -5.437 -2.382 26 HG2 LYS 4 2HG LYS 4 10.141 -4.993 -2.514 27 HG3 LYS 4 3HG LYS 4 10.383 -5.318 -0.796 28 HD2 LYS 4 2HD LYS 4 10.093 -7.830 -1.672 29 HD3 LYS 4 3HD LYS 4 10.738 -7.093 -3.141 30 HE2 LYS 4 2HE LYS 4 12.590 -6.150 -1.727 31 HE3 LYS 4 3HE LYS 4 11.991 -7.145 -0.401 32 HZ1 LYS 4 1HZ LYS 4 13.178 -8.025 -2.961 33 HZ2 LYS 4 2HZ LYS 4 12.248 -9.073 -2.013 34 HZ3 LYS 4 3HZ LYS 4 13.670 -8.403 -1.387 35 HA PRO 5 HA PRO 5 8.989 -6.616 3.596 36 HB2 PRO 5 2HB PRO 5 6.696 -6.940 5.012 37 HB3 PRO 5 3HB PRO 5 7.518 -5.383 4.858 38 HG2 PRO 5 2HG PRO 5 5.149 -6.429 3.358 39 HG3 PRO 5 3HG PRO 5 5.418 -4.814 4.038 40 HD2 PRO 5 2HD PRO 5 5.758 -5.362 1.409 41 HD3 PRO 5 3HD PRO 5 6.730 -4.147 2.265 42 H VAL 6 H VAL 6 6.910 -7.995 1.332 43 HA VAL 6 HA VAL 6 7.595 -10.667 2.242 44 HB VAL 6 HB VAL 6 5.019 -9.596 2.758 45 HG11 VAL 6 1HG1 VAL 6 3.567 -11.135 1.574 46 HG12 VAL 6 2HG1 VAL 6 4.484 -10.161 0.423 47 HG13 VAL 6 3HG1 VAL 6 4.952 -11.833 0.736 48 HG21 VAL 6 1HG2 VAL 6 6.625 -11.908 3.371 49 HG22 VAL 6 2HG2 VAL 6 5.366 -11.131 4.332 50 HG23 VAL 6 3HG2 VAL 6 4.935 -12.360 3.143 51 HA PRO 7 HA PRO 7 7.925 -11.456 -2.065 52 HB2 PRO 7 2HB PRO 7 7.401 -14.118 -2.143 53 HB3 PRO 7 3HB PRO 7 8.907 -13.454 -1.498 54 HG2 PRO 7 2HG PRO 7 6.468 -14.387 -0.034 55 HG3 PRO 7 3HG PRO 7 8.177 -14.668 0.346 56 HD2 PRO 7 2HD PRO 7 6.693 -12.788 1.610 57 HD3 PRO 7 3HD PRO 7 8.433 -12.592 1.314 58 H ILE 8 H ILE 8 5.158 -13.246 -0.686 59 HA ILE 8 HA ILE 8 3.671 -13.163 -3.117 60 HB ILE 8 HB ILE 8 1.961 -14.292 -1.993 61 HG12 ILE 8 2HG1 ILE 8 2.061 -12.453 -0.094 62 HG13 ILE 8 3HG1 ILE 8 1.332 -14.026 0.207 63 HG21 ILE 8 1HG2 ILE 8 4.554 -14.977 -0.619 64 HG22 ILE 8 2HG2 ILE 8 3.110 -15.987 -0.590 65 HG23 ILE 8 3HG2 ILE 8 3.929 -15.663 -2.118 66 HD11 ILE 8 1HD1 ILE 8 3.039 -12.977 1.889 67 HD12 ILE 8 2HD1 ILE 8 3.040 -14.709 1.559 68 HD13 ILE 8 3HD1 ILE 8 4.225 -13.662 0.779 69 H ILE 9 H ILE 9 1.242 -12.375 -2.846 70 HA ILE 9 HA ILE 9 1.266 -9.665 -1.701 71 HB ILE 9 HB ILE 9 0.566 -8.641 -3.606 72 HG12 ILE 9 2HG1 ILE 9 -0.391 -11.012 -5.103 73 HG13 ILE 9 3HG1 ILE 9 -1.333 -10.558 -3.687 74 HG21 ILE 9 1HG2 ILE 9 1.842 -9.361 -5.476 75 HG22 ILE 9 2HG2 ILE 9 2.749 -9.810 -4.032 76 HG23 ILE 9 3HG2 ILE 9 1.837 -11.033 -4.916 77 HD11 ILE 9 1HD1 ILE 9 -1.172 -9.310 -6.299 78 HD12 ILE 9 2HD1 ILE 9 -2.402 -9.163 -5.043 79 HD13 ILE 9 3HD1 ILE 9 -0.951 -8.163 -4.978 80 H ALA 10 H ALA 10 -1.029 -8.736 -1.671 81 HA ALA 10 HA ALA 10 -3.108 -10.753 -1.351 82 HB1 ALA 10 1HB ALA 10 -1.693 -10.096 0.857 83 HB2 ALA 10 2HB ALA 10 -2.980 -8.892 0.922 84 HB3 ALA 10 3HB ALA 10 -3.380 -10.609 0.878 85 H CYS 11 H CYS 11 -4.959 -10.027 -2.166 86 HA CYS 11 HA CYS 11 -5.206 -7.181 -2.775 87 HB2 CYS 11 2HB CYS 11 -6.945 -9.499 -3.645 88 HB3 CYS 11 3HB CYS 11 -7.037 -7.848 -4.249 89 H ASN 12 H ASN 12 -7.500 -6.281 -2.611 90 HA ASN 12 HA ASN 12 -8.901 -7.269 -0.233 91 HB2 ASN 12 2HB ASN 12 -8.813 -5.267 0.925 92 HB3 ASN 12 3HB ASN 12 -7.217 -5.296 0.181 93 HD21 ASN 12 1HD2 ASN 12 -8.010 -4.640 -2.443 94 HD22 ASN 12 2HD2 ASN 12 -8.521 -2.990 -2.446 95 H ARG 13 H ARG 13 -11.056 -6.195 0.034 96 HA ARG 13 HA ARG 13 -12.334 -6.009 -2.579 97 HB2 ARG 13 2HB ARG 13 -14.449 -6.143 -1.257 98 HB3 ARG 13 3HB ARG 13 -13.380 -7.521 -1.037 99 HG2 ARG 13 2HG ARG 13 -12.676 -5.680 0.953 100 HG3 ARG 13 3HG ARG 13 -14.440 -5.713 0.913 101 HD2 ARG 13 2HD ARG 13 -13.922 -8.347 0.757 102 HD3 ARG 13 3HD ARG 13 -12.512 -7.816 1.674 103 HE ARG 13 HE ARG 13 -13.871 -7.540 3.481 104 HH11 ARG 13 1HH1 ARG 13 -15.831 -7.477 0.603 105 HH12 ARG 13 2HH1 ARG 13 -17.330 -7.396 1.469 106 HH21 ARG 13 1HH2 ARG 13 -15.838 -7.433 4.631 107 HH22 ARG 13 2HH2 ARG 13 -17.333 -7.370 3.759 108 H ARG 14 H ARG 14 -11.444 -3.891 -3.051 109 HA ARG 14 HA ARG 14 -13.043 -1.756 -1.812 110 HB2 ARG 14 2HB ARG 14 -10.090 -1.901 -2.187 111 HB3 ARG 14 3HB ARG 14 -10.874 -0.343 -2.416 112 HG2 ARG 14 2HG ARG 14 -11.302 -1.984 0.057 113 HG3 ARG 14 3HG ARG 14 -9.948 -0.865 -0.107 114 HD2 ARG 14 2HD ARG 14 -11.628 0.923 -0.653 115 HD3 ARG 14 3HD ARG 14 -12.889 -0.225 -0.204 116 HE ARG 14 HE ARG 14 -11.221 1.270 1.565 117 HH11 ARG 14 1HH1 ARG 14 -12.963 -1.722 1.202 118 HH12 ARG 14 2HH1 ARG 14 -13.170 -1.960 2.906 119 HH21 ARG 14 1HH2 ARG 14 -11.486 0.968 3.811 120 HH22 ARG 14 2HH2 ARG 14 -12.330 -0.428 4.388 121 H THR 15 H THR 15 -10.586 -1.696 -4.366 122 HA THR 15 HA THR 15 -12.652 -1.250 -6.382 123 HB THR 15 HB THR 15 -12.124 1.003 -5.631 124 HG1 THR 15 HG1 THR 15 -10.740 0.683 -8.080 125 HG21 THR 15 1HG2 THR 15 -9.404 1.169 -6.589 126 HG22 THR 15 2HG2 THR 15 -9.543 -0.001 -5.277 127 HG23 THR 15 3HG2 THR 15 -10.077 1.662 -5.036 128 H GLY 16 H GLY 16 -10.172 -3.029 -5.517 129 HA2 GLY 16 2HA GLY 16 -9.229 -4.634 -7.023 130 HA3 GLY 16 3HA GLY 16 -9.291 -3.423 -8.295 131 H LYS 17 H LYS 17 -7.815 -3.837 -5.074 132 HA LYS 17 HA LYS 17 -5.217 -3.177 -6.223 133 HB2 LYS 17 2HB LYS 17 -4.806 -1.293 -4.994 134 HB3 LYS 17 3HB LYS 17 -6.547 -1.126 -5.178 135 HG2 LYS 17 2HG LYS 17 -6.841 -2.192 -2.966 136 HG3 LYS 17 3HG LYS 17 -5.086 -2.218 -2.783 137 HD2 LYS 17 2HD LYS 17 -5.084 0.256 -3.064 138 HD3 LYS 17 3HD LYS 17 -6.849 0.214 -3.067 139 HE2 LYS 17 2HE LYS 17 -6.462 -1.123 -0.820 140 HE3 LYS 17 3HE LYS 17 -4.932 -0.247 -0.837 141 HZ1 LYS 17 1HZ LYS 17 -7.612 1.020 -1.028 142 HZ2 LYS 17 2HZ LYS 17 -6.127 1.825 -0.939 143 HZ3 LYS 17 3HZ LYS 17 -6.684 0.929 0.384 144 H CYS 18 H CYS 18 -3.508 -4.126 -5.183 145 HA CYS 18 HA CYS 18 -4.124 -5.686 -2.762 146 HB2 CYS 18 2HB CYS 18 -2.176 -6.683 -4.816 147 HB3 CYS 18 3HB CYS 18 -3.052 -7.589 -3.587 148 H GLN 19 H GLN 19 -1.731 -6.678 -2.106 149 HA GLN 19 HA GLN 19 0.395 -4.779 -2.316 150 HB2 GLN 19 2HB GLN 19 0.457 -3.974 -0.072 151 HB3 GLN 19 3HB GLN 19 -1.167 -3.681 -0.680 152 HG2 GLN 19 2HG GLN 19 -1.177 -6.230 0.530 153 HG3 GLN 19 3HG GLN 19 -0.351 -5.126 1.629 154 HE21 GLN 19 1HE2 GLN 19 -3.269 -5.426 -0.348 155 HE22 GLN 19 2HE2 GLN 19 -4.298 -4.547 0.725 156 H ARG 20 H ARG 20 1.840 -5.384 -0.054 157 HA ARG 20 HA ARG 20 2.503 -8.176 -0.571 158 HB2 ARG 20 2HB ARG 20 3.968 -6.006 0.938 159 HB3 ARG 20 3HB ARG 20 4.559 -7.652 0.753 160 HG2 ARG 20 2HG ARG 20 5.659 -6.752 -0.990 161 HG3 ARG 20 3HG ARG 20 4.129 -7.040 -1.822 162 HD2 ARG 20 2HD ARG 20 4.303 -4.493 -0.364 163 HD3 ARG 20 3HD ARG 20 5.407 -4.649 -1.729 164 HE ARG 20 HE ARG 20 2.552 -4.368 -1.834 165 HH11 ARG 20 1HH1 ARG 20 5.367 -5.555 -3.502 166 HH12 ARG 20 2HH1 ARG 20 4.637 -5.461 -5.071 167 HH21 ARG 20 1HH2 ARG 20 1.580 -4.239 -3.893 168 HH22 ARG 20 2HH2 ARG 20 2.484 -4.711 -5.292 169 H ALA 21 H ALA 21 2.350 -9.790 0.899 170 HA ALA 21 HA ALA 21 1.647 -10.935 2.737 171 HB1 ALA 21 1HB ALA 21 1.892 -9.342 4.920 172 HB2 ALA 21 2HB ALA 21 3.215 -10.254 4.193 173 HB3 ALA 21 3HB ALA 21 2.994 -8.551 3.792 174 H1 GLY 33 H GLY 33 -10.870 -19.212 6.493 175 HA2 GLY 33 2HA GLY 33 -11.302 -18.817 3.615 176 HA3 GLY 33 3HA GLY 33 -10.257 -20.030 4.341 177 H SER 34 H SER 34 -13.655 -19.112 3.935 178 HA SER 34 HA SER 34 -14.318 -21.969 3.788 179 HB2 SER 34 2HB SER 34 -16.227 -20.079 5.123 180 HB3 SER 34 3HB SER 34 -16.091 -21.830 5.289 181 HG SER 34 HG SER 34 -14.177 -19.957 6.232 182 H LYS 35 H LYS 35 -15.678 -18.700 3.369 183 HA LYS 35 HA LYS 35 -17.033 -19.671 0.941 184 HB2 LYS 35 2HB LYS 35 -18.536 -17.690 1.252 185 HB3 LYS 35 3HB LYS 35 -18.645 -18.892 2.531 186 HG2 LYS 35 2HG LYS 35 -17.840 -17.494 4.101 187 HG3 LYS 35 3HG LYS 35 -16.719 -16.711 2.985 188 HD2 LYS 35 2HD LYS 35 -18.167 -14.984 3.221 189 HD3 LYS 35 3HD LYS 35 -19.040 -15.850 1.954 190 HE2 LYS 35 2HE LYS 35 -19.949 -17.070 4.229 191 HE3 LYS 35 3HE LYS 35 -19.740 -15.402 4.760 192 HZ1 LYS 35 1HZ LYS 35 -21.873 -15.401 3.936 193 HZ2 LYS 35 2HZ LYS 35 -21.520 -16.472 2.675 194 HZ3 LYS 35 3HZ LYS 35 -21.002 -14.864 2.589 195 H LYS 36 H LYS 36 -17.410 -17.836 -0.690 196 HA LYS 36 HA LYS 36 -14.898 -16.321 -0.978 197 HB2 LYS 36 2HB LYS 36 -16.687 -17.162 -3.252 198 HB3 LYS 36 3HB LYS 36 -15.025 -16.591 -3.332 199 HG2 LYS 36 2HG LYS 36 -14.383 -18.708 -3.378 200 HG3 LYS 36 3HG LYS 36 -14.933 -18.853 -1.707 201 HD2 LYS 36 2HD LYS 36 -17.170 -19.475 -2.515 202 HD3 LYS 36 3HD LYS 36 -16.592 -19.361 -4.179 203 HE2 LYS 36 2HE LYS 36 -14.970 -21.071 -2.430 204 HE3 LYS 36 3HE LYS 36 -16.619 -21.640 -2.687 205 HZ1 LYS 36 1HZ LYS 36 -15.088 -22.525 -4.341 206 HZ2 LYS 36 2HZ LYS 36 -14.683 -20.959 -4.834 207 HZ3 LYS 36 3HZ LYS 36 -16.255 -21.538 -5.066 208 HA PRO 37 HA PRO 37 -18.271 -13.194 -0.550 209 HB2 PRO 37 2HB PRO 37 -16.786 -11.476 0.938 210 HB3 PRO 37 3HB PRO 37 -17.693 -12.820 1.642 211 HG2 PRO 37 2HG PRO 37 -14.779 -12.642 0.980 212 HG3 PRO 37 3HG PRO 37 -15.560 -13.318 2.422 213 HD2 PRO 37 2HD PRO 37 -14.651 -14.867 0.395 214 HD3 PRO 37 3HD PRO 37 -16.071 -15.303 1.368 215 H VAL 38 H VAL 38 -15.128 -13.305 -1.870 216 HA VAL 38 HA VAL 38 -15.760 -11.110 -3.662 217 HB VAL 38 HB VAL 38 -13.956 -10.746 -1.471 218 HG11 VAL 38 1HG1 VAL 38 -12.236 -11.678 -2.926 219 HG12 VAL 38 2HG1 VAL 38 -12.672 -10.530 -4.193 220 HG13 VAL 38 3HG1 VAL 38 -11.980 -9.951 -2.678 221 HG21 VAL 38 1HG2 VAL 38 -15.051 -8.827 -1.841 222 HG22 VAL 38 2HG2 VAL 38 -13.778 -8.497 -3.016 223 HG23 VAL 38 3HG2 VAL 38 -15.309 -9.191 -3.547 224 HA PRO 39 HA PRO 39 -13.721 -13.678 -6.587 225 HB2 PRO 39 2HB PRO 39 -12.904 -11.823 -8.392 226 HB3 PRO 39 3HB PRO 39 -14.595 -12.303 -8.207 227 HG2 PRO 39 2HG PRO 39 -13.178 -9.901 -7.118 228 HG3 PRO 39 3HG PRO 39 -14.784 -10.011 -7.861 229 HD2 PRO 39 2HD PRO 39 -14.424 -9.893 -5.180 230 HD3 PRO 39 3HD PRO 39 -15.765 -10.787 -5.924 231 H ILE 40 H ILE 40 -11.854 -10.656 -6.192 232 HA ILE 40 HA ILE 40 -9.356 -11.865 -6.715 233 HB ILE 40 HB ILE 40 -8.390 -9.783 -5.707 234 HG12 ILE 40 2HG1 ILE 40 -10.474 -8.039 -5.533 235 HG13 ILE 40 3HG1 ILE 40 -11.206 -9.497 -4.871 236 HG21 ILE 40 1HG2 ILE 40 -10.495 -9.608 -7.845 237 HG22 ILE 40 2HG2 ILE 40 -9.435 -8.258 -7.442 238 HG23 ILE 40 3HG2 ILE 40 -8.749 -9.770 -8.036 239 HD11 ILE 40 1HD1 ILE 40 -9.067 -7.783 -3.784 240 HD12 ILE 40 2HD1 ILE 40 -10.357 -8.659 -2.959 241 HD13 ILE 40 3HD1 ILE 40 -8.917 -9.518 -3.505 242 H ILE 41 H ILE 41 -8.059 -13.035 -5.464 243 HA ILE 41 HA ILE 41 -8.780 -13.448 -2.675 244 HB ILE 41 HB ILE 41 -7.638 -15.424 -2.743 245 HG12 ILE 41 2HG1 ILE 41 -5.863 -14.854 -5.049 246 HG13 ILE 41 3HG1 ILE 41 -5.530 -13.957 -3.572 247 HG21 ILE 41 1HG2 ILE 41 -9.331 -15.287 -4.614 248 HG22 ILE 41 2HG2 ILE 41 -7.968 -15.069 -5.711 249 HG23 ILE 41 3HG2 ILE 41 -8.112 -16.552 -4.767 250 HD11 ILE 41 1HD1 ILE 41 -5.822 -16.492 -2.628 251 HD12 ILE 41 2HD1 ILE 41 -5.086 -16.769 -4.206 252 HD13 ILE 41 3HD1 ILE 41 -4.286 -15.725 -3.032 253 H ALA 42 H ALA 42 -6.839 -13.744 -1.141 254 HA ALA 42 HA ALA 42 -4.663 -11.875 -1.638 255 HB1 ALA 42 1HB ALA 42 -6.049 -11.488 0.956 256 HB2 ALA 42 2HB ALA 42 -5.153 -10.337 -0.036 257 HB3 ALA 42 3HB ALA 42 -6.796 -10.795 -0.484 258 H CYS 43 H CYS 43 -2.809 -12.602 -0.802 259 HA CYS 43 HA CYS 43 -2.902 -14.967 0.908 260 HB2 CYS 43 2HB CYS 43 -0.523 -13.679 -0.446 261 HB3 CYS 43 3HB CYS 43 -0.556 -15.257 0.335 262 H ASN 44 H ASN 44 -1.063 -15.098 2.570 263 HA ASN 44 HA ASN 44 -0.634 -12.521 3.903 264 HB2 ASN 44 2HB ASN 44 -1.518 -13.184 5.936 265 HB3 ASN 44 3HB ASN 44 -2.626 -13.970 4.814 266 HD21 ASN 44 1HD2 ASN 44 -0.850 -16.036 4.000 267 HD22 ASN 44 2HD2 ASN 44 -0.681 -17.126 5.331 268 H ARG 45 H ARG 45 0.999 -12.716 5.693 269 HA ARG 45 HA ARG 45 3.209 -14.370 4.747 270 HB2 ARG 45 2HB ARG 45 4.561 -12.977 6.338 271 HB3 ARG 45 3HB ARG 45 3.767 -12.067 5.060 272 HG2 ARG 45 2HG ARG 45 2.592 -10.858 6.512 273 HG3 ARG 45 3HG ARG 45 2.137 -12.279 7.454 274 HD2 ARG 45 2HD ARG 45 4.711 -12.111 8.152 275 HD3 ARG 45 3HD ARG 45 4.409 -10.411 7.796 276 HE ARG 45 HE ARG 45 3.415 -11.916 10.029 277 HH11 ARG 45 1HH1 ARG 45 2.851 -9.175 7.957 278 HH12 ARG 45 2HH1 ARG 45 1.897 -8.323 9.125 279 HH21 ARG 45 1HH2 ARG 45 2.160 -10.803 11.575 280 HH22 ARG 45 2HH2 ARG 45 1.506 -9.249 11.183 281 H ARG 46 H ARG 46 2.277 -16.362 5.555 282 HA ARG 46 HA ARG 46 2.845 -16.734 8.416 283 HB2 ARG 46 2HB ARG 46 0.386 -17.461 6.891 284 HB3 ARG 46 3HB ARG 46 0.931 -18.551 8.159 285 HG2 ARG 46 2HG ARG 46 0.528 -15.619 8.647 286 HG3 ARG 46 3HG ARG 46 -0.785 -16.790 8.791 287 HD2 ARG 46 2HD ARG 46 1.751 -17.405 10.197 288 HD3 ARG 46 3HD ARG 46 0.763 -16.098 10.849 289 HE ARG 46 HE ARG 46 -0.856 -18.348 10.363 290 HH11 ARG 46 1HH1 ARG 46 1.646 -17.232 12.511 291 HH12 ARG 46 2HH1 ARG 46 1.126 -18.217 13.839 292 HH21 ARG 46 1HH2 ARG 46 -1.550 -19.650 12.103 293 HH22 ARG 46 2HH2 ARG 46 -0.691 -19.593 13.605 294 H THR 47 H THR 47 1.695 -18.983 5.931 295 HA THR 47 HA THR 47 4.316 -20.277 5.856 296 HB THR 47 HB THR 47 3.162 -21.468 7.634 297 HG1 THR 47 HG1 THR 47 3.536 -23.473 6.808 298 HG21 THR 47 1HG2 THR 47 0.967 -21.857 7.615 299 HG22 THR 47 2HG2 THR 47 1.099 -22.761 6.106 300 HG23 THR 47 3HG2 THR 47 0.873 -21.012 6.070 301 H GLY 48 H GLY 48 1.998 -18.904 4.157 302 HA2 GLY 48 2HA GLY 48 2.066 -18.958 1.759 303 HA3 GLY 48 3HA GLY 48 2.445 -20.672 1.847 304 H LYS 49 H LYS 49 -0.140 -18.442 2.879 305 HA LYS 49 HA LYS 49 -2.098 -20.174 1.588 306 HB2 LYS 49 2HB LYS 49 -3.309 -20.723 3.454 307 HB3 LYS 49 3HB LYS 49 -1.696 -20.687 4.155 308 HG2 LYS 49 2HG LYS 49 -2.118 -18.365 4.898 309 HG3 LYS 49 3HG LYS 49 -3.768 -18.506 4.287 310 HD2 LYS 49 2HD LYS 49 -4.189 -19.137 6.419 311 HD3 LYS 49 3HD LYS 49 -3.663 -20.711 5.818 312 HE2 LYS 49 2HE LYS 49 -1.287 -19.602 6.499 313 HE3 LYS 49 3HE LYS 49 -2.351 -18.856 7.690 314 HZ1 LYS 49 1HZ LYS 49 -2.619 -21.732 7.279 315 HZ2 LYS 49 2HZ LYS 49 -2.756 -20.826 8.701 316 HZ3 LYS 49 3HZ LYS 49 -1.227 -21.199 8.080 317 H CYS 50 H CYS 50 -3.916 -19.110 0.887 318 HA CYS 50 HA CYS 50 -4.104 -16.241 1.521 319 HB2 CYS 50 2HB CYS 50 -4.816 -17.280 -1.202 320 HB3 CYS 50 3HB CYS 50 -4.383 -15.644 -0.717 321 H GLN 51 H GLN 51 -6.345 -15.537 0.236 322 HA GLN 51 HA GLN 51 -8.481 -17.401 0.486 323 HB2 GLN 51 2HB GLN 51 -9.641 -16.379 2.379 324 HB3 GLN 51 3HB GLN 51 -8.076 -17.012 2.872 325 HG2 GLN 51 2HG GLN 51 -7.781 -14.285 2.079 326 HG3 GLN 51 3HG GLN 51 -9.100 -14.421 3.241 327 HE21 GLN 51 1HE2 GLN 51 -5.723 -15.266 2.687 328 HE22 GLN 51 2HE2 GLN 51 -5.260 -15.262 4.351 329 H ARG 52 H ARG 52 -10.661 -15.940 0.684 330 HA ARG 52 HA ARG 52 -10.496 -14.189 -1.626 331 HB2 ARG 52 2HB ARG 52 -12.812 -15.293 -0.038 332 HB3 ARG 52 3HB ARG 52 -13.019 -14.137 -1.347 333 HG2 ARG 52 2HG ARG 52 -13.274 -15.981 -2.595 334 HG3 ARG 52 3HG ARG 52 -11.509 -16.001 -2.579 335 HD2 ARG 52 2HD ARG 52 -11.871 -17.347 -0.351 336 HD3 ARG 52 3HD ARG 52 -13.448 -17.684 -1.065 337 HE ARG 52 HE ARG 52 -11.642 -18.259 -3.040 338 HH11 ARG 52 1HH1 ARG 52 -12.164 -19.316 0.236 339 HH12 ARG 52 2HH1 ARG 52 -11.525 -20.904 -0.037 340 HH21 ARG 52 1HH2 ARG 52 -10.799 -20.346 -3.411 341 HH22 ARG 52 2HH2 ARG 52 -10.748 -21.488 -2.111 342 H ALA 53 H ALA 53 -10.418 -12.045 -1.529 343 HA ALA 53 HA ALA 53 -10.519 -9.903 -0.763 344 HB1 ALA 53 1HB ALA 53 -12.824 -11.212 0.393 345 HB2 ALA 53 2HB ALA 53 -12.224 -9.915 1.427 346 HB3 ALA 53 3HB ALA 53 -12.658 -9.577 -0.248 Start of MODEL 11 1 H1 GLY 1 H GLY 1 4.383 -3.568 -6.692 2 HA2 GLY 1 2HA GLY 1 4.068 -0.941 -7.233 3 HA3 GLY 1 3HA GLY 1 3.812 -1.596 -5.623 4 H SER 2 H SER 2 5.181 -1.053 -4.007 5 HA SER 2 HA SER 2 7.480 0.640 -4.739 6 HB2 SER 2 2HB SER 2 5.809 1.994 -3.649 7 HB3 SER 2 3HB SER 2 5.638 0.819 -2.345 8 HG SER 2 HG SER 2 7.183 1.842 -1.380 9 H LYS 3 H LYS 3 6.377 -1.042 -1.797 10 HA LYS 3 HA LYS 3 9.072 -2.214 -1.576 11 HB2 LYS 3 2HB LYS 3 7.260 -0.976 0.409 12 HB3 LYS 3 3HB LYS 3 8.103 -2.426 0.940 13 HG2 LYS 3 2HG LYS 3 9.879 -0.577 -0.406 14 HG3 LYS 3 3HG LYS 3 9.075 0.160 0.981 15 HD2 LYS 3 2HD LYS 3 10.325 -2.552 1.212 16 HD3 LYS 3 3HD LYS 3 11.315 -1.096 1.336 17 HE2 LYS 3 2HE LYS 3 9.515 -0.345 3.058 18 HE3 LYS 3 3HE LYS 3 9.129 -2.063 3.134 19 HZ1 LYS 3 1HZ LYS 3 11.910 -1.764 3.310 20 HZ2 LYS 3 2HZ LYS 3 10.842 -2.359 4.479 21 HZ3 LYS 3 3HZ LYS 3 11.200 -0.707 4.424 22 H LYS 4 H LYS 4 9.281 -4.376 -1.281 23 HA LYS 4 HA LYS 4 6.802 -5.955 -1.067 24 HB2 LYS 4 2HB LYS 4 7.949 -7.671 -2.496 25 HB3 LYS 4 3HB LYS 4 7.551 -6.173 -3.328 26 HG2 LYS 4 2HG LYS 4 10.189 -6.019 -2.198 27 HG3 LYS 4 3HG LYS 4 10.028 -7.453 -3.215 28 HD2 LYS 4 2HD LYS 4 9.429 -6.172 -5.102 29 HD3 LYS 4 3HD LYS 4 9.127 -4.732 -4.126 30 HE2 LYS 4 2HE LYS 4 11.854 -5.910 -4.067 31 HE3 LYS 4 3HE LYS 4 11.360 -5.049 -5.524 32 HZ1 LYS 4 1HZ LYS 4 10.920 -3.098 -4.235 33 HZ2 LYS 4 2HZ LYS 4 12.485 -3.627 -3.876 34 HZ3 LYS 4 3HZ LYS 4 11.225 -3.913 -2.785 35 HA PRO 5 HA PRO 5 9.591 -7.090 2.431 36 HB2 PRO 5 2HB PRO 5 7.580 -7.330 4.240 37 HB3 PRO 5 3HB PRO 5 8.363 -5.788 3.872 38 HG2 PRO 5 2HG PRO 5 5.768 -6.885 2.859 39 HG3 PRO 5 3HG PRO 5 6.151 -5.242 3.405 40 HD2 PRO 5 2HD PRO 5 6.027 -5.914 0.785 41 HD3 PRO 5 3HD PRO 5 7.133 -4.669 1.400 42 H VAL 6 H VAL 6 6.324 -8.429 1.890 43 HA VAL 6 HA VAL 6 7.372 -11.105 2.480 44 HB VAL 6 HB VAL 6 4.872 -9.803 3.009 45 HG11 VAL 6 1HG1 VAL 6 4.644 -12.390 1.473 46 HG12 VAL 6 2HG1 VAL 6 3.327 -11.551 2.294 47 HG13 VAL 6 3HG1 VAL 6 4.121 -10.805 0.907 48 HG21 VAL 6 1HG2 VAL 6 6.413 -12.147 3.871 49 HG22 VAL 6 2HG2 VAL 6 5.531 -10.954 4.825 50 HG23 VAL 6 3HG2 VAL 6 4.667 -12.295 4.074 51 HA PRO 7 HA PRO 7 7.242 -12.406 -1.713 52 HB2 PRO 7 2HB PRO 7 6.632 -15.033 -1.406 53 HB3 PRO 7 3HB PRO 7 8.216 -14.361 -1.003 54 HG2 PRO 7 2HG PRO 7 5.916 -15.005 0.802 55 HG3 PRO 7 3HG PRO 7 7.646 -15.311 1.042 56 HD2 PRO 7 2HD PRO 7 6.361 -13.230 2.203 57 HD3 PRO 7 3HD PRO 7 8.065 -13.147 1.713 58 H ILE 8 H ILE 8 4.581 -13.898 0.148 59 HA ILE 8 HA ILE 8 2.851 -14.004 -2.127 60 HB ILE 8 HB ILE 8 1.110 -14.694 -0.515 61 HG12 ILE 8 2HG1 ILE 8 2.334 -15.183 1.852 62 HG13 ILE 8 3HG1 ILE 8 3.132 -13.683 1.394 63 HG21 ILE 8 1HG2 ILE 8 3.344 -16.081 -1.320 64 HG22 ILE 8 2HG2 ILE 8 3.296 -16.374 0.418 65 HG23 ILE 8 3HG2 ILE 8 1.902 -16.780 -0.583 66 HD11 ILE 8 1HD1 ILE 8 0.340 -13.394 0.951 67 HD12 ILE 8 2HD1 ILE 8 0.599 -14.031 2.575 68 HD13 ILE 8 3HD1 ILE 8 1.382 -12.530 2.082 69 H ILE 9 H ILE 9 1.553 -12.476 -2.896 70 HA ILE 9 HA ILE 9 1.354 -9.940 -1.505 71 HB ILE 9 HB ILE 9 0.682 -8.995 -3.489 72 HG12 ILE 9 2HG1 ILE 9 -0.177 -11.503 -4.845 73 HG13 ILE 9 3HG1 ILE 9 -1.225 -10.868 -3.581 74 HG21 ILE 9 1HG2 ILE 9 2.889 -10.272 -3.663 75 HG22 ILE 9 2HG2 ILE 9 2.000 -11.424 -4.659 76 HG23 ILE 9 3HG2 ILE 9 2.136 -9.740 -5.166 77 HD11 ILE 9 1HD1 ILE 9 -2.133 -9.667 -5.221 78 HD12 ILE 9 2HD1 ILE 9 -0.708 -8.639 -5.062 79 HD13 ILE 9 3HD1 ILE 9 -0.751 -9.904 -6.289 80 H ALA 10 H ALA 10 -0.901 -8.830 -1.736 81 HA ALA 10 HA ALA 10 -3.120 -10.651 -1.257 82 HB1 ALA 10 1HB ALA 10 -3.432 -8.844 0.819 83 HB2 ALA 10 2HB ALA 10 -2.954 -10.536 0.959 84 HB3 ALA 10 3HB ALA 10 -1.723 -9.276 0.874 85 H CYS 11 H CYS 11 -4.957 -9.872 -2.088 86 HA CYS 11 HA CYS 11 -4.947 -7.152 -3.141 87 HB2 CYS 11 2HB CYS 11 -6.912 -9.413 -3.568 88 HB3 CYS 11 3HB CYS 11 -6.943 -7.861 -4.398 89 H ASN 12 H ASN 12 -7.105 -5.975 -3.057 90 HA ASN 12 HA ASN 12 -8.486 -6.400 -0.503 91 HB2 ASN 12 2HB ASN 12 -8.158 -4.241 0.269 92 HB3 ASN 12 3HB ASN 12 -6.609 -4.568 -0.502 93 HD21 ASN 12 1HD2 ASN 12 -7.605 -4.340 -3.187 94 HD22 ASN 12 2HD2 ASN 12 -7.895 -2.661 -3.472 95 H ARG 13 H ARG 13 -10.526 -5.123 -0.360 96 HA ARG 13 HA ARG 13 -11.903 -5.246 -2.925 97 HB2 ARG 13 2HB ARG 13 -13.956 -4.931 -1.508 98 HB3 ARG 13 3HB ARG 13 -13.027 -6.381 -1.153 99 HG2 ARG 13 2HG ARG 13 -12.091 -4.244 0.492 100 HG3 ARG 13 3HG ARG 13 -13.846 -4.364 0.624 101 HD2 ARG 13 2HD ARG 13 -13.177 -6.970 0.758 102 HD3 ARG 13 3HD ARG 13 -11.740 -6.246 1.476 103 HE ARG 13 HE ARG 13 -12.979 -5.708 3.323 104 HH11 ARG 13 1HH1 ARG 13 -15.128 -6.493 0.699 105 HH12 ARG 13 2HH1 ARG 13 -16.553 -6.463 1.684 106 HH21 ARG 13 1HH2 ARG 13 -14.848 -5.666 4.631 107 HH22 ARG 13 2HH2 ARG 13 -16.392 -5.991 3.920 108 H ARG 14 H ARG 14 -10.854 -3.324 -3.770 109 HA ARG 14 HA ARG 14 -12.209 -0.878 -2.860 110 HB2 ARG 14 2HB ARG 14 -9.295 -1.341 -3.314 111 HB3 ARG 14 3HB ARG 14 -9.968 0.230 -3.728 112 HG2 ARG 14 2HG ARG 14 -10.369 -1.020 -1.030 113 HG3 ARG 14 3HG ARG 14 -8.965 -0.024 -1.415 114 HD2 ARG 14 2HD ARG 14 -10.161 1.799 -1.000 115 HD3 ARG 14 3HD ARG 14 -11.256 1.366 -2.312 116 HE ARG 14 HE ARG 14 -12.796 0.705 -0.756 117 HH11 ARG 14 1HH1 ARG 14 -9.679 0.966 0.771 118 HH12 ARG 14 2HH1 ARG 14 -10.297 0.721 2.371 119 HH21 ARG 14 1HH2 ARG 14 -13.622 0.381 1.345 120 HH22 ARG 14 2HH2 ARG 14 -12.540 0.388 2.696 121 H THR 15 H THR 15 -9.871 -1.487 -5.457 122 HA THR 15 HA THR 15 -11.972 -1.182 -7.461 123 HB THR 15 HB THR 15 -11.217 1.108 -7.104 124 HG1 THR 15 HG1 THR 15 -11.610 1.020 -9.201 125 HG21 THR 15 1HG2 THR 15 -8.562 0.934 -8.175 126 HG22 THR 15 2HG2 THR 15 -8.693 -0.094 -6.748 127 HG23 THR 15 3HG2 THR 15 -9.098 1.619 -6.642 128 H GLY 16 H GLY 16 -9.638 -3.027 -6.381 129 HA2 GLY 16 2HA GLY 16 -8.896 -4.931 -7.623 130 HA3 GLY 16 3HA GLY 16 -8.900 -3.942 -9.076 131 H LYS 17 H LYS 17 -7.339 -3.977 -5.869 132 HA LYS 17 HA LYS 17 -4.741 -3.749 -7.176 133 HB2 LYS 17 2HB LYS 17 -4.116 -1.743 -6.273 134 HB3 LYS 17 3HB LYS 17 -5.841 -1.444 -6.441 135 HG2 LYS 17 2HG LYS 17 -6.149 -2.109 -4.082 136 HG3 LYS 17 3HG LYS 17 -4.399 -2.285 -3.936 137 HD2 LYS 17 2HD LYS 17 -4.120 -0.088 -3.671 138 HD3 LYS 17 3HD LYS 17 -5.120 0.275 -5.080 139 HE2 LYS 17 2HE LYS 17 -6.945 0.685 -3.831 140 HE3 LYS 17 3HE LYS 17 -6.608 -0.647 -2.725 141 HZ1 LYS 17 1HZ LYS 17 -5.104 1.906 -2.675 142 HZ2 LYS 17 2HZ LYS 17 -5.109 0.684 -1.506 143 HZ3 LYS 17 3HZ LYS 17 -6.488 1.636 -1.739 144 H CYS 18 H CYS 18 -3.076 -4.664 -6.034 145 HA CYS 18 HA CYS 18 -3.742 -5.786 -3.393 146 HB2 CYS 18 2HB CYS 18 -1.937 -7.208 -5.331 147 HB3 CYS 18 3HB CYS 18 -2.789 -7.860 -3.934 148 H GLN 19 H GLN 19 -1.451 -6.808 -2.561 149 HA GLN 19 HA GLN 19 0.902 -5.383 -3.113 150 HB2 GLN 19 2HB GLN 19 1.051 -3.840 -1.294 151 HB3 GLN 19 3HB GLN 19 -0.463 -3.522 -2.131 152 HG2 GLN 19 2HG GLN 19 -0.988 -5.416 -0.096 153 HG3 GLN 19 3HG GLN 19 -0.032 -4.115 0.609 154 HE21 GLN 19 1HE2 GLN 19 -2.818 -4.632 -1.520 155 HE22 GLN 19 2HE2 GLN 19 -3.742 -3.302 -0.920 156 H ARG 20 H ARG 20 1.905 -5.263 -0.417 157 HA ARG 20 HA ARG 20 2.451 -8.080 -0.056 158 HB2 ARG 20 2HB ARG 20 4.097 -7.326 1.603 159 HB3 ARG 20 3HB ARG 20 4.287 -6.478 0.074 160 HG2 ARG 20 2HG ARG 20 2.513 -5.060 1.864 161 HG3 ARG 20 3HG ARG 20 4.094 -5.346 2.593 162 HD2 ARG 20 2HD ARG 20 5.074 -3.840 1.271 163 HD3 ARG 20 3HD ARG 20 4.309 -4.504 -0.172 164 HE ARG 20 HE ARG 20 2.713 -2.866 -0.040 165 HH11 ARG 20 1HH1 ARG 20 4.449 -3.023 2.974 166 HH12 ARG 20 2HH1 ARG 20 3.722 -1.587 3.617 167 HH21 ARG 20 1HH2 ARG 20 1.749 -0.975 0.796 168 HH22 ARG 20 2HH2 ARG 20 2.186 -0.424 2.378 169 H ALA 21 H ALA 21 1.924 -9.327 1.702 170 HA ALA 21 HA ALA 21 -0.481 -9.027 2.964 171 HB1 ALA 21 1HB ALA 21 0.029 -11.036 3.753 172 HB2 ALA 21 2HB ALA 21 1.655 -10.839 3.098 173 HB3 ALA 21 3HB ALA 21 1.311 -10.362 4.760 174 H1 GLY 33 H GLY 33 -10.014 -20.612 5.020 175 HA2 GLY 33 2HA GLY 33 -11.278 -19.105 3.774 176 HA3 GLY 33 3HA GLY 33 -10.725 -19.897 2.305 177 H SER 34 H SER 34 -13.319 -19.435 4.375 178 HA SER 34 HA SER 34 -14.685 -21.876 3.491 179 HB2 SER 34 2HB SER 34 -16.428 -21.177 5.177 180 HB3 SER 34 3HB SER 34 -14.844 -21.540 5.862 181 HG SER 34 HG SER 34 -16.099 -19.451 6.403 182 H LYS 35 H LYS 35 -15.594 -18.461 3.989 183 HA LYS 35 HA LYS 35 -17.464 -18.684 1.749 184 HB2 LYS 35 2HB LYS 35 -17.527 -17.342 4.249 185 HB3 LYS 35 3HB LYS 35 -17.536 -16.109 2.996 186 HG2 LYS 35 2HG LYS 35 -19.389 -17.673 1.957 187 HG3 LYS 35 3HG LYS 35 -19.562 -18.181 3.639 188 HD2 LYS 35 2HD LYS 35 -19.504 -15.515 3.972 189 HD3 LYS 35 3HD LYS 35 -20.206 -15.597 2.354 190 HE2 LYS 35 2HE LYS 35 -22.105 -16.654 3.086 191 HE3 LYS 35 3HE LYS 35 -21.295 -17.386 4.470 192 HZ1 LYS 35 1HZ LYS 35 -21.116 -14.900 5.215 193 HZ2 LYS 35 2HZ LYS 35 -22.526 -15.788 5.500 194 HZ3 LYS 35 3HZ LYS 35 -22.455 -14.709 4.199 195 H LYS 36 H LYS 36 -17.267 -17.548 -0.112 196 HA LYS 36 HA LYS 36 -14.902 -15.807 -0.371 197 HB2 LYS 36 2HB LYS 36 -16.139 -17.636 -2.437 198 HB3 LYS 36 3HB LYS 36 -14.826 -16.510 -2.755 199 HG2 LYS 36 2HG LYS 36 -13.482 -17.722 -1.030 200 HG3 LYS 36 3HG LYS 36 -14.771 -18.925 -0.964 201 HD2 LYS 36 2HD LYS 36 -14.319 -18.742 -3.647 202 HD3 LYS 36 3HD LYS 36 -12.700 -18.485 -2.993 203 HE2 LYS 36 2HE LYS 36 -12.849 -20.553 -1.738 204 HE3 LYS 36 3HE LYS 36 -14.507 -20.794 -2.286 205 HZ1 LYS 36 1HZ LYS 36 -13.350 -22.100 -3.745 206 HZ2 LYS 36 2HZ LYS 36 -11.997 -21.085 -3.781 207 HZ3 LYS 36 3HZ LYS 36 -13.401 -20.653 -4.620 208 HA PRO 37 HA PRO 37 -18.631 -13.215 -1.217 209 HB2 PRO 37 2HB PRO 37 -17.649 -11.012 0.029 210 HB3 PRO 37 3HB PRO 37 -18.510 -12.297 0.886 211 HG2 PRO 37 2HG PRO 37 -15.564 -11.821 0.651 212 HG3 PRO 37 3HG PRO 37 -16.512 -12.284 2.076 213 HD2 PRO 37 2HD PRO 37 -15.077 -14.073 0.637 214 HD3 PRO 37 3HD PRO 37 -16.591 -14.503 1.458 215 H VAL 38 H VAL 38 -15.247 -12.078 -1.242 216 HA VAL 38 HA VAL 38 -15.814 -10.558 -3.685 217 HB VAL 38 HB VAL 38 -14.135 -10.087 -1.415 218 HG11 VAL 38 1HG1 VAL 38 -12.364 -11.159 -2.714 219 HG12 VAL 38 2HG1 VAL 38 -12.684 -10.065 -4.061 220 HG13 VAL 38 3HG1 VAL 38 -12.067 -9.430 -2.535 221 HG21 VAL 38 1HG2 VAL 38 -15.162 -8.176 -1.978 222 HG22 VAL 38 2HG2 VAL 38 -13.807 -7.950 -3.084 223 HG23 VAL 38 3HG2 VAL 38 -15.318 -8.646 -3.671 224 HA PRO 39 HA PRO 39 -13.661 -13.352 -6.303 225 HB2 PRO 39 2HB PRO 39 -12.650 -11.637 -8.149 226 HB3 PRO 39 3HB PRO 39 -14.366 -12.049 -8.059 227 HG2 PRO 39 2HG PRO 39 -12.940 -9.634 -7.011 228 HG3 PRO 39 3HG PRO 39 -14.493 -9.735 -7.861 229 HD2 PRO 39 2HD PRO 39 -14.318 -9.467 -5.172 230 HD3 PRO 39 3HD PRO 39 -15.636 -10.359 -5.959 231 H ILE 40 H ILE 40 -11.745 -10.377 -5.806 232 HA ILE 40 HA ILE 40 -9.253 -11.744 -6.082 233 HB ILE 40 HB ILE 40 -8.247 -9.614 -5.293 234 HG12 ILE 40 2HG1 ILE 40 -10.264 -7.770 -5.368 235 HG13 ILE 40 3HG1 ILE 40 -11.054 -9.116 -4.554 236 HG21 ILE 40 1HG2 ILE 40 -9.467 -8.216 -7.193 237 HG22 ILE 40 2HG2 ILE 40 -8.387 -9.560 -7.562 238 HG23 ILE 40 3HG2 ILE 40 -10.133 -9.804 -7.573 239 HD11 ILE 40 1HD1 ILE 40 -8.873 -9.101 -3.103 240 HD12 ILE 40 2HD1 ILE 40 -8.776 -7.432 -3.665 241 HD13 ILE 40 3HD1 ILE 40 -10.195 -7.981 -2.774 242 H ILE 41 H ILE 41 -8.150 -12.837 -4.601 243 HA ILE 41 HA ILE 41 -9.013 -12.666 -1.801 244 HB ILE 41 HB ILE 41 -8.409 -14.842 -1.495 245 HG12 ILE 41 2HG1 ILE 41 -6.686 -15.854 -3.298 246 HG13 ILE 41 3HG1 ILE 41 -6.195 -14.164 -3.353 247 HG21 ILE 41 1HG2 ILE 41 -8.721 -14.876 -4.491 248 HG22 ILE 41 2HG2 ILE 41 -9.098 -16.175 -3.361 249 HG23 ILE 41 3HG2 ILE 41 -10.058 -14.696 -3.356 250 HD11 ILE 41 1HD1 ILE 41 -5.059 -15.827 -1.703 251 HD12 ILE 41 2HD1 ILE 41 -5.431 -14.179 -1.194 252 HD13 ILE 41 3HD1 ILE 41 -6.485 -15.509 -0.714 253 H ALA 42 H ALA 42 -7.499 -12.481 -0.114 254 HA ALA 42 HA ALA 42 -4.852 -11.475 -0.933 255 HB1 ALA 42 1HB ALA 42 -5.222 -9.549 0.102 256 HB2 ALA 42 2HB ALA 42 -6.888 -10.058 0.382 257 HB3 ALA 42 3HB ALA 42 -5.649 -10.387 1.594 258 H CYS 43 H CYS 43 -3.148 -12.436 -0.023 259 HA CYS 43 HA CYS 43 -3.645 -14.396 2.099 260 HB2 CYS 43 2HB CYS 43 -1.354 -14.044 0.161 261 HB3 CYS 43 3HB CYS 43 -1.331 -15.209 1.481 262 H ASN 44 H ASN 44 -2.915 -14.119 4.111 263 HA ASN 44 HA ASN 44 -1.543 -11.664 4.777 264 HB2 ASN 44 2HB ASN 44 -2.154 -12.070 6.988 265 HB3 ASN 44 3HB ASN 44 -3.466 -12.829 6.091 266 HD21 ASN 44 1HD2 ASN 44 -1.824 -15.080 5.255 267 HD22 ASN 44 2HD2 ASN 44 -1.645 -16.086 6.648 268 H ARG 45 H ARG 45 0.328 -11.679 6.266 269 HA ARG 45 HA ARG 45 2.301 -13.612 5.334 270 HB2 ARG 45 2HB ARG 45 3.922 -12.072 6.490 271 HB3 ARG 45 3HB ARG 45 3.014 -11.343 5.172 272 HG2 ARG 45 2HG ARG 45 2.222 -9.773 6.515 273 HG3 ARG 45 3HG ARG 45 1.608 -10.983 7.644 274 HD2 ARG 45 2HD ARG 45 3.945 -11.160 8.557 275 HD3 ARG 45 3HD ARG 45 4.360 -9.762 7.567 276 HE ARG 45 HE ARG 45 2.089 -9.305 9.251 277 HH11 ARG 45 1HH1 ARG 45 5.567 -9.322 9.120 278 HH12 ARG 45 2HH1 ARG 45 5.752 -8.193 10.421 279 HH21 ARG 45 1HH2 ARG 45 2.319 -7.818 10.966 280 HH22 ARG 45 2HH2 ARG 45 3.904 -7.340 11.471 281 H ARG 46 H ARG 46 1.414 -15.384 6.581 282 HA ARG 46 HA ARG 46 2.354 -15.320 9.368 283 HB2 ARG 46 2HB ARG 46 -0.296 -16.211 8.301 284 HB3 ARG 46 3HB ARG 46 0.381 -17.027 9.704 285 HG2 ARG 46 2HG ARG 46 0.043 -14.046 9.571 286 HG3 ARG 46 3HG ARG 46 -1.218 -15.130 10.164 287 HD2 ARG 46 2HD ARG 46 1.140 -15.902 11.469 288 HD3 ARG 46 3HD ARG 46 1.123 -14.140 11.508 289 HE ARG 46 HE ARG 46 -1.400 -15.218 12.252 290 HH11 ARG 46 1HH1 ARG 46 1.827 -14.634 13.421 291 HH12 ARG 46 2HH1 ARG 46 1.347 -14.539 15.083 292 HH21 ARG 46 1HH2 ARG 46 -2.044 -15.094 14.437 293 HH22 ARG 46 2HH2 ARG 46 -0.854 -14.801 15.660 294 H THR 47 H THR 47 0.835 -17.863 7.416 295 HA THR 47 HA THR 47 3.382 -19.308 7.323 296 HB THR 47 HB THR 47 2.260 -20.169 9.312 297 HG1 THR 47 HG1 THR 47 1.874 -22.164 7.351 298 HG21 THR 47 1HG2 THR 47 0.043 -20.344 9.417 299 HG22 THR 47 2HG2 THR 47 0.077 -21.581 8.160 300 HG23 THR 47 3HG2 THR 47 -0.076 -19.881 7.720 301 H GLY 48 H GLY 48 0.983 -18.039 5.618 302 HA2 GLY 48 2HA GLY 48 0.944 -18.418 3.230 303 HA3 GLY 48 3HA GLY 48 1.166 -20.132 3.549 304 H LYS 49 H LYS 49 -1.127 -17.532 4.389 305 HA LYS 49 HA LYS 49 -3.308 -19.463 3.941 306 HB2 LYS 49 2HB LYS 49 -2.870 -17.385 6.004 307 HB3 LYS 49 3HB LYS 49 -4.509 -17.519 5.382 308 HG2 LYS 49 2HG LYS 49 -4.458 -19.941 5.933 309 HG3 LYS 49 3HG LYS 49 -2.884 -19.688 6.690 310 HD2 LYS 49 2HD LYS 49 -4.892 -17.790 7.605 311 HD3 LYS 49 3HD LYS 49 -5.341 -19.466 7.928 312 HE2 LYS 49 2HE LYS 49 -4.125 -18.683 9.817 313 HE3 LYS 49 3HE LYS 49 -3.067 -19.782 8.935 314 HZ1 LYS 49 1HZ LYS 49 -2.985 -16.816 8.797 315 HZ2 LYS 49 2HZ LYS 49 -1.974 -17.867 7.939 316 HZ3 LYS 49 3HZ LYS 49 -1.886 -17.798 9.627 317 H CYS 50 H CYS 50 -5.135 -18.797 2.798 318 HA CYS 50 HA CYS 50 -4.981 -16.178 1.478 319 HB2 CYS 50 2HB CYS 50 -5.327 -18.864 0.151 320 HB3 CYS 50 3HB CYS 50 -5.812 -17.361 -0.628 321 H GLN 51 H GLN 51 -6.915 -15.174 1.132 322 HA GLN 51 HA GLN 51 -9.424 -16.511 1.202 323 HB2 GLN 51 2HB GLN 51 -10.289 -15.574 3.286 324 HB3 GLN 51 3HB GLN 51 -8.911 -16.622 3.596 325 HG2 GLN 51 2HG GLN 51 -8.227 -13.801 3.224 326 HG3 GLN 51 3HG GLN 51 -9.244 -14.134 4.625 327 HE21 GLN 51 1HE2 GLN 51 -6.259 -15.110 3.016 328 HE22 GLN 51 2HE2 GLN 51 -5.420 -15.566 4.456 329 H ARG 52 H ARG 52 -11.136 -14.536 1.904 330 HA ARG 52 HA ARG 52 -10.769 -12.654 -0.252 331 HB2 ARG 52 2HB ARG 52 -13.029 -12.081 0.043 332 HB3 ARG 52 3HB ARG 52 -12.961 -13.801 0.403 333 HG2 ARG 52 2HG ARG 52 -14.191 -13.165 2.180 334 HG3 ARG 52 3HG ARG 52 -12.600 -12.832 2.868 335 HD2 ARG 52 2HD ARG 52 -12.825 -10.558 2.637 336 HD3 ARG 52 3HD ARG 52 -13.956 -10.701 1.293 337 HE ARG 52 HE ARG 52 -15.668 -10.684 2.800 338 HH11 ARG 52 1HH1 ARG 52 -12.727 -11.530 4.460 339 HH12 ARG 52 2HH1 ARG 52 -13.455 -11.510 6.032 340 HH21 ARG 52 1HH2 ARG 52 -16.638 -10.654 4.864 341 HH22 ARG 52 2HH2 ARG 52 -15.680 -11.012 6.261 342 H ALA 53 H ALA 53 -10.599 -10.428 -0.085 343 HA ALA 53 HA ALA 53 -8.989 -9.332 1.836 344 HB1 ALA 53 1HB ALA 53 -9.417 -8.208 -0.255 345 HB2 ALA 53 2HB ALA 53 -11.099 -7.933 0.198 346 HB3 ALA 53 3HB ALA 53 -9.805 -7.124 1.081 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -2.513 -0.270 0.621 2 HA2 GLY 1 2HA GLY 1 -2.127 -2.364 2.666 3 HA3 GLY 1 3HA GLY 1 -1.005 -2.174 1.328 4 H SER 2 H SER 2 -1.852 -1.166 4.468 5 HA SER 2 HA SER 2 -0.162 1.206 4.385 6 HB2 SER 2 2HB SER 2 -1.577 0.045 6.789 7 HB3 SER 2 3HB SER 2 -0.972 1.689 6.585 8 HG SER 2 HG SER 2 -3.374 0.916 6.112 9 H LYS 3 H LYS 3 -0.379 -1.663 6.496 10 HA LYS 3 HA LYS 3 2.474 -1.390 7.088 11 HB2 LYS 3 2HB LYS 3 0.354 -1.929 8.722 12 HB3 LYS 3 3HB LYS 3 0.959 -3.549 8.399 13 HG2 LYS 3 2HG LYS 3 3.223 -2.021 8.967 14 HG3 LYS 3 3HG LYS 3 2.006 -1.516 10.141 15 HD2 LYS 3 2HD LYS 3 1.600 -4.004 10.538 16 HD3 LYS 3 3HD LYS 3 3.102 -4.272 9.649 17 HE2 LYS 3 2HE LYS 3 2.827 -2.543 12.105 18 HE3 LYS 3 3HE LYS 3 3.419 -4.203 12.102 19 HZ1 LYS 3 1HZ LYS 3 4.789 -2.537 10.218 20 HZ2 LYS 3 2HZ LYS 3 5.418 -3.545 11.422 21 HZ3 LYS 3 3HZ LYS 3 4.940 -1.968 11.805 22 H LYS 4 H LYS 4 3.718 -3.478 7.284 23 HA LYS 4 HA LYS 4 2.926 -5.401 5.203 24 HB2 LYS 4 2HB LYS 4 5.777 -4.517 5.612 25 HB3 LYS 4 3HB LYS 4 5.110 -5.445 4.276 26 HG2 LYS 4 2HG LYS 4 3.688 -3.040 4.293 27 HG3 LYS 4 3HG LYS 4 5.375 -2.602 4.574 28 HD2 LYS 4 2HD LYS 4 4.404 -4.378 2.335 29 HD3 LYS 4 3HD LYS 4 4.766 -2.658 2.173 30 HE2 LYS 4 2HE LYS 4 7.057 -3.496 3.289 31 HE3 LYS 4 3HE LYS 4 6.587 -4.972 2.447 32 HZ1 LYS 4 1HZ LYS 4 8.002 -3.477 1.112 33 HZ2 LYS 4 2HZ LYS 4 6.784 -2.305 1.158 34 HZ3 LYS 4 3HZ LYS 4 6.505 -3.785 0.388 35 HA PRO 5 HA PRO 5 3.895 -7.617 9.137 36 HB2 PRO 5 2HB PRO 5 1.865 -9.402 8.885 37 HB3 PRO 5 3HB PRO 5 1.657 -7.807 9.618 38 HG2 PRO 5 2HG PRO 5 1.003 -8.715 6.842 39 HG3 PRO 5 3HG PRO 5 0.055 -7.693 7.937 40 HD2 PRO 5 2HD PRO 5 1.542 -6.675 5.916 41 HD3 PRO 5 3HD PRO 5 1.283 -5.806 7.443 42 H VAL 6 H VAL 6 3.650 -8.441 5.813 43 HA VAL 6 HA VAL 6 5.540 -10.614 6.183 44 HB VAL 6 HB VAL 6 2.766 -11.138 5.708 45 HG11 VAL 6 1HG1 VAL 6 2.920 -12.541 3.721 46 HG12 VAL 6 2HG1 VAL 6 3.307 -10.862 3.336 47 HG13 VAL 6 3HG1 VAL 6 4.599 -12.052 3.494 48 HG21 VAL 6 1HG2 VAL 6 4.715 -13.330 5.474 49 HG22 VAL 6 2HG2 VAL 6 4.849 -12.351 6.935 50 HG23 VAL 6 3HG2 VAL 6 3.327 -13.153 6.548 51 HA PRO 7 HA PRO 7 7.200 -9.048 2.430 52 HB2 PRO 7 2HB PRO 7 8.415 -11.271 1.452 53 HB3 PRO 7 3HB PRO 7 9.034 -10.369 2.841 54 HG2 PRO 7 2HG PRO 7 7.403 -12.879 2.787 55 HG3 PRO 7 3HG PRO 7 8.805 -12.477 3.796 56 HD2 PRO 7 2HD PRO 7 6.261 -12.322 4.710 57 HD3 PRO 7 3HD PRO 7 7.545 -11.233 5.272 58 H ILE 8 H ILE 8 5.903 -12.337 1.906 59 HA ILE 8 HA ILE 8 5.205 -11.815 -0.806 60 HB ILE 8 HB ILE 8 4.036 -13.982 -0.723 61 HG12 ILE 8 2HG1 ILE 8 4.699 -15.136 1.667 62 HG13 ILE 8 3HG1 ILE 8 4.288 -13.500 2.170 63 HG21 ILE 8 1HG2 ILE 8 5.966 -15.142 -0.869 64 HG22 ILE 8 2HG2 ILE 8 6.689 -13.543 -0.697 65 HG23 ILE 8 3HG2 ILE 8 6.538 -14.598 0.708 66 HD11 ILE 8 1HD1 ILE 8 2.295 -14.369 0.362 67 HD12 ILE 8 2HD1 ILE 8 2.558 -15.651 1.546 68 HD13 ILE 8 3HD1 ILE 8 2.148 -14.023 2.085 69 H ILE 9 H ILE 9 3.449 -10.870 -1.603 70 HA ILE 9 HA ILE 9 1.079 -10.622 0.133 71 HB ILE 9 HB ILE 9 0.718 -8.432 -0.473 72 HG12 ILE 9 2HG1 ILE 9 2.674 -8.302 -2.707 73 HG13 ILE 9 3HG1 ILE 9 1.190 -9.201 -2.999 74 HG21 ILE 9 1HG2 ILE 9 2.731 -7.217 -0.104 75 HG22 ILE 9 2HG2 ILE 9 2.857 -8.724 0.802 76 HG23 ILE 9 3HG2 ILE 9 3.716 -8.540 -0.728 77 HD11 ILE 9 1HD1 ILE 9 0.060 -7.050 -2.037 78 HD12 ILE 9 2HD1 ILE 9 1.584 -6.297 -2.510 79 HD13 ILE 9 3HD1 ILE 9 0.595 -7.118 -3.716 80 H ALA 10 H ALA 10 -0.910 -9.991 -1.254 81 HA ALA 10 HA ALA 10 -0.889 -11.354 -3.847 82 HB1 ALA 10 1HB ALA 10 -3.043 -11.922 -1.829 83 HB2 ALA 10 2HB ALA 10 -2.719 -12.754 -3.351 84 HB3 ALA 10 3HB ALA 10 -1.605 -12.930 -1.995 85 H CYS 11 H CYS 11 -2.007 -10.287 -5.357 86 HA CYS 11 HA CYS 11 -3.543 -7.943 -4.531 87 HB2 CYS 11 2HB CYS 11 -2.632 -8.797 -7.287 88 HB3 CYS 11 3HB CYS 11 -3.396 -7.264 -6.883 89 H ASN 12 H ASN 12 -5.691 -7.704 -4.852 90 HA ASN 12 HA ASN 12 -7.151 -10.061 -5.797 91 HB2 ASN 12 2HB ASN 12 -8.942 -9.393 -4.473 92 HB3 ASN 12 3HB ASN 12 -7.563 -8.851 -3.521 93 HD21 ASN 12 1HD2 ASN 12 -6.955 -6.629 -5.266 94 HD22 ASN 12 2HD2 ASN 12 -8.168 -5.433 -4.978 95 H ARG 13 H ARG 13 -8.921 -9.855 -7.252 96 HA ARG 13 HA ARG 13 -8.531 -7.693 -9.184 97 HB2 ARG 13 2HB ARG 13 -9.764 -10.424 -9.324 98 HB3 ARG 13 3HB ARG 13 -10.154 -9.215 -10.539 99 HG2 ARG 13 2HG ARG 13 -7.598 -8.982 -10.801 100 HG3 ARG 13 3HG ARG 13 -7.536 -10.538 -9.971 101 HD2 ARG 13 2HD ARG 13 -9.527 -10.702 -11.983 102 HD3 ARG 13 3HD ARG 13 -8.084 -9.997 -12.710 103 HE ARG 13 HE ARG 13 -7.428 -12.270 -11.145 104 HH11 ARG 13 1HH1 ARG 13 -8.815 -11.321 -14.194 105 HH12 ARG 13 2HH1 ARG 13 -8.363 -12.785 -15.003 106 HH21 ARG 13 1HH2 ARG 13 -6.828 -14.202 -12.199 107 HH22 ARG 13 2HH2 ARG 13 -7.234 -14.423 -13.868 108 H ARG 14 H ARG 14 -9.609 -6.119 -7.822 109 HA ARG 14 HA ARG 14 -12.534 -6.288 -8.085 110 HB2 ARG 14 2HB ARG 14 -12.658 -6.380 -5.847 111 HB3 ARG 14 3HB ARG 14 -10.952 -5.996 -5.660 112 HG2 ARG 14 2HG ARG 14 -12.206 -4.307 -4.556 113 HG3 ARG 14 3HG ARG 14 -11.527 -3.597 -6.022 114 HD2 ARG 14 2HD ARG 14 -13.609 -2.883 -6.424 115 HD3 ARG 14 3HD ARG 14 -13.938 -4.549 -6.897 116 HE ARG 14 HE ARG 14 -14.274 -4.211 -4.103 117 HH11 ARG 14 1HH1 ARG 14 -15.790 -3.532 -7.162 118 HH12 ARG 14 2HH1 ARG 14 -17.396 -3.515 -6.511 119 HH21 ARG 14 1HH2 ARG 14 -16.382 -4.192 -3.233 120 HH22 ARG 14 2HH2 ARG 14 -17.731 -3.889 -4.276 121 H THR 15 H THR 15 -9.715 -4.185 -7.673 122 HA THR 15 HA THR 15 -10.762 -2.315 -9.591 123 HB THR 15 HB THR 15 -11.922 -1.586 -7.523 124 HG1 THR 15 HG1 THR 15 -10.892 0.643 -7.622 125 HG21 THR 15 1HG2 THR 15 -10.871 -1.088 -5.569 126 HG22 THR 15 2HG2 THR 15 -9.400 -0.541 -6.374 127 HG23 THR 15 3HG2 THR 15 -9.709 -2.266 -6.176 128 H GLY 16 H GLY 16 -8.297 -3.375 -7.382 129 HA2 GLY 16 2HA GLY 16 -6.062 -3.359 -8.625 130 HA3 GLY 16 3HA GLY 16 -6.334 -1.625 -8.715 131 H LYS 17 H LYS 17 -6.364 -4.203 -6.250 132 HA LYS 17 HA LYS 17 -4.479 -2.677 -4.649 133 HB2 LYS 17 2HB LYS 17 -5.815 -2.471 -2.724 134 HB3 LYS 17 3HB LYS 17 -6.859 -1.961 -4.044 135 HG2 LYS 17 2HG LYS 17 -8.148 -3.886 -3.939 136 HG3 LYS 17 3HG LYS 17 -6.902 -4.791 -3.077 137 HD2 LYS 17 2HD LYS 17 -8.616 -4.287 -1.505 138 HD3 LYS 17 3HD LYS 17 -7.252 -3.228 -1.139 139 HE2 LYS 17 2HE LYS 17 -9.291 -2.194 -3.021 140 HE3 LYS 17 3HE LYS 17 -9.771 -2.350 -1.332 141 HZ1 LYS 17 1HZ LYS 17 -8.842 -0.338 -1.145 142 HZ2 LYS 17 2HZ LYS 17 -7.930 -0.494 -2.561 143 HZ3 LYS 17 3HZ LYS 17 -7.371 -1.174 -1.116 144 H CYS 18 H CYS 18 -3.524 -3.915 -2.933 145 HA CYS 18 HA CYS 18 -4.008 -6.811 -3.093 146 HB2 CYS 18 2HB CYS 18 -1.218 -5.749 -2.793 147 HB3 CYS 18 3HB CYS 18 -1.749 -7.331 -3.354 148 H GLN 19 H GLN 19 -2.300 -7.768 -1.278 149 HA GLN 19 HA GLN 19 -2.202 -6.212 1.122 150 HB2 GLN 19 2HB GLN 19 -3.815 -7.301 2.430 151 HB3 GLN 19 3HB GLN 19 -4.633 -6.999 0.903 152 HG2 GLN 19 2HG GLN 19 -3.417 -9.514 0.654 153 HG3 GLN 19 3HG GLN 19 -4.162 -9.476 2.251 154 HE21 GLN 19 1HE2 GLN 19 -4.763 -9.025 -1.181 155 HE22 GLN 19 2HE2 GLN 19 -6.452 -9.382 -1.123 156 H ARG 20 H ARG 20 -1.052 -7.251 2.814 157 HA ARG 20 HA ARG 20 0.560 -9.510 1.864 158 HB2 ARG 20 2HB ARG 20 1.188 -7.866 4.298 159 HB3 ARG 20 3HB ARG 20 2.284 -8.786 3.276 160 HG2 ARG 20 2HG ARG 20 2.809 -6.758 2.473 161 HG3 ARG 20 3HG ARG 20 1.364 -6.996 1.489 162 HD2 ARG 20 2HD ARG 20 0.053 -5.649 2.892 163 HD3 ARG 20 3HD ARG 20 1.232 -5.719 4.201 164 HE ARG 20 HE ARG 20 2.325 -3.952 3.252 165 HH11 ARG 20 1HH1 ARG 20 0.209 -5.374 0.881 166 HH12 ARG 20 2HH1 ARG 20 0.481 -4.132 -0.297 167 HH21 ARG 20 1HH2 ARG 20 2.692 -2.312 1.709 168 HH22 ARG 20 2HH2 ARG 20 1.894 -2.392 0.175 169 H ALA 21 H ALA 21 0.504 -11.450 2.829 170 HA ALA 21 HA ALA 21 -0.238 -13.160 4.139 171 HB1 ALA 21 1HB ALA 21 1.237 -12.419 5.789 172 HB2 ALA 21 2HB ALA 21 0.264 -10.993 6.151 173 HB3 ALA 21 3HB ALA 21 -0.299 -12.592 6.638 174 H1 GLY 33 H GLY 33 -7.334 -16.700 6.109 175 HA2 GLY 33 2HA GLY 33 -9.413 -16.915 5.160 176 HA3 GLY 33 3HA GLY 33 -9.243 -18.629 5.508 177 H SER 34 H SER 34 -10.307 -15.542 6.853 178 HA SER 34 HA SER 34 -11.762 -16.914 8.975 179 HB2 SER 34 2HB SER 34 -12.394 -14.205 9.116 180 HB3 SER 34 3HB SER 34 -11.162 -15.040 10.062 181 HG SER 34 HG SER 34 -9.673 -14.069 8.943 182 H LYS 35 H LYS 35 -12.599 -14.347 6.642 183 HA LYS 35 HA LYS 35 -15.114 -15.739 6.080 184 HB2 LYS 35 2HB LYS 35 -14.805 -13.109 7.388 185 HB3 LYS 35 3HB LYS 35 -15.984 -13.169 6.084 186 HG2 LYS 35 2HG LYS 35 -17.365 -14.612 7.210 187 HG3 LYS 35 3HG LYS 35 -16.054 -15.272 8.192 188 HD2 LYS 35 2HD LYS 35 -16.448 -13.803 9.819 189 HD3 LYS 35 3HD LYS 35 -16.385 -12.450 8.687 190 HE2 LYS 35 2HE LYS 35 -18.753 -13.093 8.026 191 HE3 LYS 35 3HE LYS 35 -18.755 -14.140 9.444 192 HZ1 LYS 35 1HZ LYS 35 -17.900 -11.413 9.919 193 HZ2 LYS 35 2HZ LYS 35 -18.924 -12.402 10.832 194 HZ3 LYS 35 3HZ LYS 35 -19.524 -11.586 9.477 195 H LYS 36 H LYS 36 -16.072 -15.198 4.073 196 HA LYS 36 HA LYS 36 -14.237 -13.831 2.216 197 HB2 LYS 36 2HB LYS 36 -16.112 -16.151 1.743 198 HB3 LYS 36 3HB LYS 36 -15.306 -15.274 0.448 199 HG2 LYS 36 2HG LYS 36 -13.132 -15.909 1.374 200 HG3 LYS 36 3HG LYS 36 -13.948 -16.803 2.660 201 HD2 LYS 36 2HD LYS 36 -15.066 -17.693 0.235 202 HD3 LYS 36 3HD LYS 36 -13.319 -17.636 -0.012 203 HE2 LYS 36 2HE LYS 36 -12.962 -19.018 1.937 204 HE3 LYS 36 3HE LYS 36 -14.684 -18.990 2.313 205 HZ1 LYS 36 1HZ LYS 36 -13.353 -20.305 0.016 206 HZ2 LYS 36 2HZ LYS 36 -15.027 -20.072 0.092 207 HZ3 LYS 36 3HZ LYS 36 -14.253 -21.033 1.250 208 HA PRO 37 HA PRO 37 -18.103 -11.307 2.344 209 HB2 PRO 37 2HB PRO 37 -16.811 -8.924 2.197 210 HB3 PRO 37 3HB PRO 37 -17.095 -9.771 3.723 211 HG2 PRO 37 2HG PRO 37 -14.623 -9.684 2.035 212 HG3 PRO 37 3HG PRO 37 -14.780 -9.564 3.798 213 HD2 PRO 37 2HD PRO 37 -14.047 -11.854 2.553 214 HD3 PRO 37 3HD PRO 37 -14.983 -11.845 4.061 215 H VAL 38 H VAL 38 -15.187 -10.745 0.376 216 HA VAL 38 HA VAL 38 -16.889 -9.924 -1.867 217 HB VAL 38 HB VAL 38 -14.283 -9.127 -0.959 218 HG11 VAL 38 1HG1 VAL 38 -13.436 -10.781 -2.546 219 HG12 VAL 38 2HG1 VAL 38 -14.405 -10.052 -3.829 220 HG13 VAL 38 3HG1 VAL 38 -13.089 -9.139 -3.088 221 HG21 VAL 38 1HG2 VAL 38 -14.824 -7.567 -3.101 222 HG22 VAL 38 2HG2 VAL 38 -16.434 -8.183 -2.733 223 HG23 VAL 38 3HG2 VAL 38 -15.518 -7.319 -1.499 224 HA PRO 39 HA PRO 39 -16.330 -13.693 -4.055 225 HB2 PRO 39 2HB PRO 39 -16.421 -12.795 -6.616 226 HB3 PRO 39 3HB PRO 39 -17.848 -12.881 -5.577 227 HG2 PRO 39 2HG PRO 39 -16.124 -10.524 -6.237 228 HG3 PRO 39 3HG PRO 39 -17.891 -10.625 -6.141 229 HD2 PRO 39 2HD PRO 39 -16.381 -9.595 -4.144 230 HD3 PRO 39 3HD PRO 39 -17.902 -10.459 -3.842 231 H ILE 40 H ILE 40 -14.470 -11.051 -5.583 232 HA ILE 40 HA ILE 40 -12.431 -12.839 -6.505 233 HB ILE 40 HB ILE 40 -11.265 -10.853 -7.278 234 HG12 ILE 40 2HG1 ILE 40 -12.817 -8.672 -6.840 235 HG13 ILE 40 3HG1 ILE 40 -13.057 -9.538 -5.327 236 HG21 ILE 40 1HG2 ILE 40 -13.760 -9.848 -8.169 237 HG22 ILE 40 2HG2 ILE 40 -12.638 -10.911 -9.017 238 HG23 ILE 40 3HG2 ILE 40 -13.908 -11.597 -8.003 239 HD11 ILE 40 1HD1 ILE 40 -10.290 -9.574 -5.910 240 HD12 ILE 40 2HD1 ILE 40 -10.874 -7.922 -6.116 241 HD13 ILE 40 3HD1 ILE 40 -11.130 -8.764 -4.588 242 H ILE 41 H ILE 41 -10.696 -13.529 -5.446 243 HA ILE 41 HA ILE 41 -9.709 -11.966 -3.160 244 HB ILE 41 HB ILE 41 -9.459 -13.855 -1.777 245 HG12 ILE 41 2HG1 ILE 41 -10.563 -15.849 -3.664 246 HG13 ILE 41 3HG1 ILE 41 -8.945 -15.264 -4.033 247 HG21 ILE 41 1HG2 ILE 41 -11.891 -12.976 -2.460 248 HG22 ILE 41 2HG2 ILE 41 -12.064 -14.671 -2.911 249 HG23 ILE 41 3HG2 ILE 41 -11.630 -14.239 -1.257 250 HD11 ILE 41 1HD1 ILE 41 -8.465 -17.068 -2.724 251 HD12 ILE 41 2HD1 ILE 41 -8.522 -15.795 -1.504 252 HD13 ILE 41 3HD1 ILE 41 -9.905 -16.867 -1.725 253 H ALA 42 H ALA 42 -7.503 -12.933 -2.430 254 HA ALA 42 HA ALA 42 -5.938 -13.807 -4.754 255 HB1 ALA 42 1HB ALA 42 -4.879 -11.676 -2.930 256 HB2 ALA 42 2HB ALA 42 -4.330 -12.132 -4.544 257 HB3 ALA 42 3HB ALA 42 -5.857 -11.272 -4.342 258 H CYS 43 H CYS 43 -4.496 -15.360 -4.305 259 HA CYS 43 HA CYS 43 -4.245 -16.225 -1.530 260 HB2 CYS 43 2HB CYS 43 -3.315 -17.579 -4.071 261 HB3 CYS 43 3HB CYS 43 -3.320 -18.290 -2.460 262 H ASN 44 H ASN 44 -2.469 -15.942 -0.344 263 HA ASN 44 HA ASN 44 -0.185 -14.607 -1.550 264 HB2 ASN 44 2HB ASN 44 0.409 -13.925 0.590 265 HB3 ASN 44 3HB ASN 44 -1.346 -14.016 0.714 266 HD21 ASN 44 1HD2 ASN 44 -1.458 -16.882 0.781 267 HD22 ASN 44 2HD2 ASN 44 -0.876 -17.372 2.332 268 H ARG 45 H ARG 45 1.994 -15.323 -1.215 269 HA ARG 45 HA ARG 45 2.207 -18.232 -1.305 270 HB2 ARG 45 2HB ARG 45 3.838 -15.956 -2.288 271 HB3 ARG 45 3HB ARG 45 4.711 -17.411 -1.826 272 HG2 ARG 45 2HG ARG 45 3.774 -18.672 -3.505 273 HG3 ARG 45 3HG ARG 45 2.355 -17.632 -3.638 274 HD2 ARG 45 2HD ARG 45 5.128 -16.745 -4.400 275 HD3 ARG 45 3HD ARG 45 4.009 -17.492 -5.539 276 HE ARG 45 HE ARG 45 2.607 -15.419 -4.430 277 HH11 ARG 45 1HH1 ARG 45 5.615 -15.746 -6.152 278 HH12 ARG 45 2HH1 ARG 45 5.531 -14.167 -6.861 279 HH21 ARG 45 1HH2 ARG 45 2.485 -13.339 -5.358 280 HH22 ARG 45 2HH2 ARG 45 3.751 -12.798 -6.408 281 H ARG 46 H ARG 46 1.809 -18.417 1.019 282 HA ARG 46 HA ARG 46 4.280 -17.976 2.557 283 HB2 ARG 46 2HB ARG 46 1.521 -17.165 3.166 284 HB3 ARG 46 3HB ARG 46 2.336 -17.998 4.482 285 HG2 ARG 46 2HG ARG 46 4.054 -16.010 3.298 286 HG3 ARG 46 3HG ARG 46 2.523 -15.306 3.823 287 HD2 ARG 46 2HD ARG 46 4.279 -15.277 5.574 288 HD3 ARG 46 3HD ARG 46 2.830 -16.163 6.046 289 HE ARG 46 HE ARG 46 4.082 -18.074 6.172 290 HH11 ARG 46 1HH1 ARG 46 5.856 -15.664 4.393 291 HH12 ARG 46 2HH1 ARG 46 7.315 -16.596 4.330 292 HH21 ARG 46 1HH2 ARG 46 5.996 -19.311 6.095 293 HH22 ARG 46 2HH2 ARG 46 7.393 -18.671 5.298 294 H THR 47 H THR 47 1.252 -19.535 3.501 295 HA THR 47 HA THR 47 2.689 -22.106 3.630 296 HB THR 47 HB THR 47 2.376 -21.198 5.893 297 HG1 THR 47 HG1 THR 47 1.251 -23.065 6.713 298 HG21 THR 47 1HG2 THR 47 0.514 -20.130 6.486 299 HG22 THR 47 2HG2 THR 47 -0.441 -21.582 6.185 300 HG23 THR 47 3HG2 THR 47 -0.152 -20.430 4.882 301 H GLY 48 H GLY 48 0.164 -20.427 2.269 302 HA2 GLY 48 2HA GLY 48 -1.097 -21.618 0.546 303 HA3 GLY 48 3HA GLY 48 -1.265 -22.945 1.685 304 H LYS 49 H LYS 49 -1.919 -19.437 1.646 305 HA LYS 49 HA LYS 49 -4.685 -20.002 2.412 306 HB2 LYS 49 2HB LYS 49 -4.635 -18.931 4.404 307 HB3 LYS 49 3HB LYS 49 -2.923 -19.331 4.351 308 HG2 LYS 49 2HG LYS 49 -2.451 -17.120 3.396 309 HG3 LYS 49 3HG LYS 49 -4.168 -16.722 3.506 310 HD2 LYS 49 2HD LYS 49 -3.426 -15.799 5.463 311 HD3 LYS 49 3HD LYS 49 -3.809 -17.428 6.027 312 HE2 LYS 49 2HE LYS 49 -1.281 -17.826 5.258 313 HE3 LYS 49 3HE LYS 49 -1.184 -16.109 5.644 314 HZ1 LYS 49 1HZ LYS 49 -1.158 -16.584 7.792 315 HZ2 LYS 49 2HZ LYS 49 -1.080 -18.230 7.411 316 HZ3 LYS 49 3HZ LYS 49 -2.580 -17.494 7.677 317 H CYS 50 H CYS 50 -6.166 -18.356 1.880 318 HA CYS 50 HA CYS 50 -5.097 -16.171 0.225 319 HB2 CYS 50 2HB CYS 50 -7.660 -17.562 -0.495 320 HB3 CYS 50 3HB CYS 50 -6.627 -16.556 -1.505 321 H GLN 51 H GLN 51 -7.021 -14.599 -0.304 322 HA GLN 51 HA GLN 51 -9.169 -14.335 1.473 323 HB2 GLN 51 2HB GLN 51 -8.408 -12.594 2.967 324 HB3 GLN 51 3HB GLN 51 -7.361 -13.998 3.134 325 HG2 GLN 51 2HG GLN 51 -6.576 -11.825 1.258 326 HG3 GLN 51 3HG GLN 51 -6.368 -11.585 2.992 327 HE21 GLN 51 1HE2 GLN 51 -5.064 -12.903 0.187 328 HE22 GLN 51 2HE2 GLN 51 -3.774 -13.801 0.905 329 H ARG 52 H ARG 52 -10.219 -12.189 1.319 330 HA ARG 52 HA ARG 52 -9.809 -11.098 -1.354 331 HB2 ARG 52 2HB ARG 52 -11.999 -10.153 -1.154 332 HB3 ARG 52 3HB ARG 52 -12.079 -11.809 -0.566 333 HG2 ARG 52 2HG ARG 52 -13.250 -10.792 1.083 334 HG3 ARG 52 3HG ARG 52 -11.629 -10.608 1.754 335 HD2 ARG 52 2HD ARG 52 -11.884 -8.405 0.125 336 HD3 ARG 52 3HD ARG 52 -13.503 -8.591 0.797 337 HE ARG 52 HE ARG 52 -11.377 -8.726 2.741 338 HH11 ARG 52 1HH1 ARG 52 -13.601 -6.667 1.027 339 HH12 ARG 52 2HH1 ARG 52 -13.554 -5.407 2.215 340 HH21 ARG 52 1HH2 ARG 52 -11.307 -7.074 4.312 341 HH22 ARG 52 2HH2 ARG 52 -12.248 -5.639 4.083 342 H ALA 53 H ALA 53 -10.021 -8.726 -1.656 343 HA ALA 53 HA ALA 53 -9.102 -6.658 -1.368 344 HB1 ALA 53 1HB ALA 53 -9.950 -7.034 1.500 345 HB2 ALA 53 2HB ALA 53 -9.722 -5.509 0.643 346 HB3 ALA 53 3HB ALA 53 -11.042 -6.587 0.190 Start of MODEL 13 1 H1 GLY 1 H GLY 1 9.777 -0.393 -5.901 2 HA2 GLY 1 2HA GLY 1 7.420 -0.064 -5.221 3 HA3 GLY 1 3HA GLY 1 7.594 -1.525 -4.260 4 H SER 2 H SER 2 6.704 0.174 -2.685 5 HA SER 2 HA SER 2 8.757 1.935 -1.607 6 HB2 SER 2 2HB SER 2 6.156 2.392 -1.870 7 HB3 SER 2 3HB SER 2 6.095 1.606 -0.292 8 HG SER 2 HG SER 2 6.427 3.694 0.191 9 H LYS 3 H LYS 3 6.587 -0.590 -0.326 10 HA LYS 3 HA LYS 3 8.746 -1.434 1.472 11 HB2 LYS 3 2HB LYS 3 6.239 -0.207 2.247 12 HB3 LYS 3 3HB LYS 3 6.384 -1.824 2.924 13 HG2 LYS 3 2HG LYS 3 8.863 -0.733 3.395 14 HG3 LYS 3 3HG LYS 3 7.768 0.631 3.633 15 HD2 LYS 3 2HD LYS 3 7.403 -0.176 5.681 16 HD3 LYS 3 3HD LYS 3 6.500 -1.480 4.905 17 HE2 LYS 3 2HE LYS 3 9.046 -2.377 4.640 18 HE3 LYS 3 3HE LYS 3 9.158 -1.498 6.164 19 HZ1 LYS 3 1HZ LYS 3 8.345 -4.025 5.970 20 HZ2 LYS 3 2HZ LYS 3 6.852 -3.236 5.885 21 HZ3 LYS 3 3HZ LYS 3 7.866 -2.986 7.216 22 H LYS 4 H LYS 4 8.993 -3.586 1.606 23 HA LYS 4 HA LYS 4 6.812 -5.307 0.638 24 HB2 LYS 4 2HB LYS 4 9.726 -5.783 0.008 25 HB3 LYS 4 3HB LYS 4 8.337 -6.659 -0.623 26 HG2 LYS 4 2HG LYS 4 7.647 -4.331 -1.564 27 HG3 LYS 4 3HG LYS 4 9.356 -3.951 -1.342 28 HD2 LYS 4 2HD LYS 4 8.329 -6.331 -2.884 29 HD3 LYS 4 3HD LYS 4 8.789 -4.794 -3.619 30 HE2 LYS 4 2HE LYS 4 10.892 -5.641 -1.898 31 HE3 LYS 4 3HE LYS 4 10.443 -6.995 -2.934 32 HZ1 LYS 4 1HZ LYS 4 10.709 -4.413 -4.243 33 HZ2 LYS 4 2HZ LYS 4 11.180 -5.949 -4.771 34 HZ3 LYS 4 3HZ LYS 4 12.145 -5.102 -3.671 35 HA PRO 5 HA PRO 5 8.279 -6.709 4.792 36 HB2 PRO 5 2HB PRO 5 5.789 -7.236 5.736 37 HB3 PRO 5 3HB PRO 5 6.528 -5.632 5.818 38 HG2 PRO 5 2HG PRO 5 4.544 -6.705 3.850 39 HG3 PRO 5 3HG PRO 5 4.582 -5.123 4.650 40 HD2 PRO 5 2HD PRO 5 5.433 -5.491 2.106 41 HD3 PRO 5 3HD PRO 5 6.154 -4.283 3.189 42 H VAL 6 H VAL 6 6.242 -8.044 2.313 43 HA VAL 6 HA VAL 6 7.244 -10.704 2.903 44 HB VAL 6 HB VAL 6 4.614 -9.933 3.701 45 HG11 VAL 6 1HG1 VAL 6 4.660 -12.053 1.555 46 HG12 VAL 6 2HG1 VAL 6 3.272 -11.610 2.551 47 HG13 VAL 6 3HG1 VAL 6 3.942 -10.450 1.403 48 HG21 VAL 6 1HG2 VAL 6 5.360 -11.445 5.166 49 HG22 VAL 6 2HG2 VAL 6 4.806 -12.663 4.017 50 HG23 VAL 6 3HG2 VAL 6 6.490 -12.139 4.003 51 HA PRO 7 HA PRO 7 7.224 -11.077 -1.473 52 HB2 PRO 7 2HB PRO 7 6.933 -13.761 -1.761 53 HB3 PRO 7 3HB PRO 7 8.429 -13.013 -1.189 54 HG2 PRO 7 2HG PRO 7 6.234 -14.303 0.385 55 HG3 PRO 7 3HG PRO 7 7.990 -14.450 0.586 56 HD2 PRO 7 2HD PRO 7 6.474 -12.841 2.150 57 HD3 PRO 7 3HD PRO 7 8.153 -12.452 1.724 58 H ILE 8 H ILE 8 4.829 -13.378 -0.156 59 HA ILE 8 HA ILE 8 3.104 -13.211 -2.382 60 HB ILE 8 HB ILE 8 1.406 -14.263 -0.866 61 HG12 ILE 8 2HG1 ILE 8 2.857 -15.110 1.297 62 HG13 ILE 8 3HG1 ILE 8 3.425 -13.453 1.116 63 HG21 ILE 8 1HG2 ILE 8 3.722 -15.315 -1.977 64 HG22 ILE 8 2HG2 ILE 8 3.667 -15.989 -0.349 65 HG23 ILE 8 3HG2 ILE 8 2.303 -16.215 -1.444 66 HD11 ILE 8 1HD1 ILE 8 1.103 -12.670 1.203 67 HD12 ILE 8 2HD1 ILE 8 0.568 -14.334 1.445 68 HD13 ILE 8 3HD1 ILE 8 1.576 -13.546 2.658 69 H ILE 9 H ILE 9 1.448 -11.889 -2.866 70 HA ILE 9 HA ILE 9 1.045 -9.556 -1.167 71 HB ILE 9 HB ILE 9 0.269 -8.432 -3.000 72 HG12 ILE 9 2HG1 ILE 9 -0.455 -10.759 -4.691 73 HG13 ILE 9 3HG1 ILE 9 -1.472 -10.471 -3.284 74 HG21 ILE 9 1HG2 ILE 9 1.721 -8.811 -4.781 75 HG22 ILE 9 2HG2 ILE 9 2.553 -9.541 -3.409 76 HG23 ILE 9 3HG2 ILE 9 1.689 -10.561 -4.560 77 HD11 ILE 9 1HD1 ILE 9 -1.204 -7.973 -4.429 78 HD12 ILE 9 2HD1 ILE 9 -1.356 -9.067 -5.805 79 HD13 ILE 9 3HD1 ILE 9 -2.597 -9.047 -4.553 80 H ALA 10 H ALA 10 -1.307 -8.705 -1.164 81 HA ALA 10 HA ALA 10 -3.323 -10.786 -1.006 82 HB1 ALA 10 1HB ALA 10 -3.448 -9.259 1.438 83 HB2 ALA 10 2HB ALA 10 -3.424 -11.007 1.203 84 HB3 ALA 10 3HB ALA 10 -1.909 -10.109 1.297 85 H CYS 11 H CYS 11 -5.238 -10.025 -1.649 86 HA CYS 11 HA CYS 11 -5.509 -7.158 -2.096 87 HB2 CYS 11 2HB CYS 11 -7.370 -9.395 -2.922 88 HB3 CYS 11 3HB CYS 11 -7.403 -7.731 -3.498 89 H ASN 12 H ASN 12 -7.840 -6.306 -1.788 90 HA ASN 12 HA ASN 12 -9.030 -7.337 0.685 91 HB2 ASN 12 2HB ASN 12 -8.887 -5.349 1.851 92 HB3 ASN 12 3HB ASN 12 -7.369 -5.309 0.958 93 HD21 ASN 12 1HD2 ASN 12 -8.477 -4.677 -1.574 94 HD22 ASN 12 2HD2 ASN 12 -9.032 -3.042 -1.506 95 H ARG 13 H ARG 13 -11.179 -6.279 1.127 96 HA ARG 13 HA ARG 13 -12.662 -6.137 -1.381 97 HB2 ARG 13 2HB ARG 13 -13.254 -6.935 1.376 98 HB3 ARG 13 3HB ARG 13 -14.525 -5.972 0.636 99 HG2 ARG 13 2HG ARG 13 -13.359 -8.336 -0.782 100 HG3 ARG 13 3HG ARG 13 -14.634 -8.525 0.423 101 HD2 ARG 13 2HD ARG 13 -14.760 -6.886 -2.105 102 HD3 ARG 13 3HD ARG 13 -15.611 -8.397 -1.783 103 HE ARG 13 HE ARG 13 -16.448 -6.748 0.205 104 HH11 ARG 13 1HH1 ARG 13 -16.364 -6.509 -3.267 105 HH12 ARG 13 2HH1 ARG 13 -17.765 -5.495 -3.361 106 HH21 ARG 13 1HH2 ARG 13 -18.295 -5.414 0.094 107 HH22 ARG 13 2HH2 ARG 13 -18.862 -4.872 -1.449 108 H ARG 14 H ARG 14 -11.851 -3.999 -1.912 109 HA ARG 14 HA ARG 14 -13.399 -1.899 -0.554 110 HB2 ARG 14 2HB ARG 14 -11.474 -1.005 0.161 111 HB3 ARG 14 3HB ARG 14 -10.518 -2.107 -0.820 112 HG2 ARG 14 2HG ARG 14 -9.980 0.106 -1.488 113 HG3 ARG 14 3HG ARG 14 -10.950 -0.614 -2.775 114 HD2 ARG 14 2HD ARG 14 -12.144 1.282 -2.637 115 HD3 ARG 14 3HD ARG 14 -12.874 0.517 -1.227 116 HE ARG 14 HE ARG 14 -11.836 2.064 0.093 117 HH11 ARG 14 1HH1 ARG 14 -10.274 2.010 -3.018 118 HH12 ARG 14 2HH1 ARG 14 -9.262 3.374 -2.679 119 HH21 ARG 14 1HH2 ARG 14 -10.508 3.861 0.552 120 HH22 ARG 14 2HH2 ARG 14 -9.395 4.426 -0.648 121 H THR 15 H THR 15 -11.667 -2.875 -3.483 122 HA THR 15 HA THR 15 -13.723 -2.116 -5.228 123 HB THR 15 HB THR 15 -12.981 0.182 -4.520 124 HG1 THR 15 HG1 THR 15 -12.690 -0.568 -7.256 125 HG21 THR 15 1HG2 THR 15 -10.463 -0.744 -4.710 126 HG22 THR 15 2HG2 THR 15 -10.877 0.965 -4.850 127 HG23 THR 15 3HG2 THR 15 -10.628 -0.005 -6.302 128 H GLY 16 H GLY 16 -10.372 -2.838 -4.647 129 HA2 GLY 16 2HA GLY 16 -9.836 -4.872 -6.177 130 HA3 GLY 16 3HA GLY 16 -10.000 -3.663 -7.441 131 H LYS 17 H LYS 17 -8.358 -3.944 -4.285 132 HA LYS 17 HA LYS 17 -5.837 -3.252 -5.595 133 HB2 LYS 17 2HB LYS 17 -5.375 -1.391 -4.318 134 HB3 LYS 17 3HB LYS 17 -7.113 -1.220 -4.524 135 HG2 LYS 17 2HG LYS 17 -7.453 -2.257 -2.318 136 HG3 LYS 17 3HG LYS 17 -5.702 -2.345 -2.113 137 HD2 LYS 17 2HD LYS 17 -7.158 0.236 -2.647 138 HD3 LYS 17 3HD LYS 17 -6.862 -0.377 -1.018 139 HE2 LYS 17 2HE LYS 17 -4.700 0.213 -1.070 140 HE3 LYS 17 3HE LYS 17 -4.487 -0.370 -2.720 141 HZ1 LYS 17 1HZ LYS 17 -4.286 2.145 -2.206 142 HZ2 LYS 17 2HZ LYS 17 -5.977 2.120 -2.243 143 HZ3 LYS 17 3HZ LYS 17 -5.095 1.645 -3.606 144 H CYS 18 H CYS 18 -4.017 -4.080 -4.601 145 HA CYS 18 HA CYS 18 -4.446 -5.672 -2.165 146 HB2 CYS 18 2HB CYS 18 -2.615 -6.664 -4.321 147 HB3 CYS 18 3HB CYS 18 -3.429 -7.569 -3.049 148 H GLN 19 H GLN 19 -1.993 -6.614 -1.675 149 HA GLN 19 HA GLN 19 0.120 -4.769 -2.083 150 HB2 GLN 19 2HB GLN 19 0.308 -3.819 0.131 151 HB3 GLN 19 3HB GLN 19 -1.275 -3.431 -0.530 152 HG2 GLN 19 2HG GLN 19 -1.469 -5.876 0.910 153 HG3 GLN 19 3HG GLN 19 -0.652 -4.683 1.919 154 HE21 GLN 19 1HE2 GLN 19 -3.493 -5.127 -0.137 155 HE22 GLN 19 2HE2 GLN 19 -4.534 -4.094 0.775 156 H ARG 20 H ARG 20 1.779 -5.188 -0.040 157 HA ARG 20 HA ARG 20 2.284 -8.043 -0.219 158 HB2 ARG 20 2HB ARG 20 3.936 -5.793 0.943 159 HB3 ARG 20 3HB ARG 20 4.460 -7.468 0.830 160 HG2 ARG 20 2HG ARG 20 3.775 -6.995 -1.738 161 HG3 ARG 20 3HG ARG 20 4.307 -5.389 -1.237 162 HD2 ARG 20 2HD ARG 20 6.404 -6.057 -1.546 163 HD3 ARG 20 3HD ARG 20 6.196 -7.168 -0.193 164 HE ARG 20 HE ARG 20 6.203 -8.886 -1.688 165 HH11 ARG 20 1HH1 ARG 20 5.366 -5.958 -3.375 166 HH12 ARG 20 2HH1 ARG 20 5.350 -6.707 -4.937 167 HH21 ARG 20 1HH2 ARG 20 6.184 -9.885 -3.739 168 HH22 ARG 20 2HH2 ARG 20 5.814 -8.941 -5.143 169 H ALA 21 H ALA 21 1.824 -9.453 1.333 170 HA ALA 21 HA ALA 21 1.308 -10.360 3.359 171 HB1 ALA 21 1HB ALA 21 3.066 -8.160 3.984 172 HB2 ALA 21 2HB ALA 21 1.884 -8.416 5.268 173 HB3 ALA 21 3HB ALA 21 2.926 -9.742 4.752 174 H1 GLY 33 H GLY 33 -12.498 -21.999 5.147 175 HA2 GLY 33 2HA GLY 33 -12.045 -20.526 2.701 176 HA3 GLY 33 3HA GLY 33 -10.993 -21.920 2.902 177 H SER 34 H SER 34 -14.443 -21.051 3.105 178 HA SER 34 HA SER 34 -15.068 -23.689 1.950 179 HB2 SER 34 2HB SER 34 -16.516 -21.962 3.929 180 HB3 SER 34 3HB SER 34 -17.428 -23.087 2.922 181 HG SER 34 HG SER 34 -16.532 -23.808 5.078 182 H LYS 35 H LYS 35 -16.720 -20.537 2.168 183 HA LYS 35 HA LYS 35 -17.538 -20.844 -0.629 184 HB2 LYS 35 2HB LYS 35 -18.508 -18.871 1.448 185 HB3 LYS 35 3HB LYS 35 -19.190 -19.110 -0.156 186 HG2 LYS 35 2HG LYS 35 -20.437 -20.819 0.525 187 HG3 LYS 35 3HG LYS 35 -19.081 -21.576 1.364 188 HD2 LYS 35 2HD LYS 35 -20.671 -19.256 2.454 189 HD3 LYS 35 3HD LYS 35 -20.982 -20.947 2.852 190 HE2 LYS 35 2HE LYS 35 -18.608 -21.097 3.645 191 HE3 LYS 35 3HE LYS 35 -18.493 -19.350 3.431 192 HZ1 LYS 35 1HZ LYS 35 -20.318 -20.799 5.269 193 HZ2 LYS 35 2HZ LYS 35 -20.381 -19.133 4.989 194 HZ3 LYS 35 3HZ LYS 35 -19.008 -19.819 5.701 195 H LYS 36 H LYS 36 -17.684 -18.724 -1.876 196 HA LYS 36 HA LYS 36 -15.198 -17.203 -1.445 197 HB2 LYS 36 2HB LYS 36 -16.623 -17.487 -4.084 198 HB3 LYS 36 3HB LYS 36 -14.975 -16.949 -3.792 199 HG2 LYS 36 2HG LYS 36 -14.308 -19.017 -4.211 200 HG3 LYS 36 3HG LYS 36 -15.101 -19.518 -2.715 201 HD2 LYS 36 2HD LYS 36 -17.234 -19.508 -4.300 202 HD3 LYS 36 3HD LYS 36 -16.002 -19.783 -5.534 203 HE2 LYS 36 2HE LYS 36 -15.620 -21.884 -4.846 204 HE3 LYS 36 3HE LYS 36 -15.679 -21.435 -3.142 205 HZ1 LYS 36 1HZ LYS 36 -17.509 -22.953 -4.241 206 HZ2 LYS 36 2HZ LYS 36 -18.198 -21.456 -4.623 207 HZ3 LYS 36 3HZ LYS 36 -17.890 -21.857 -3.009 208 HA PRO 37 HA PRO 37 -18.655 -14.202 -0.829 209 HB2 PRO 37 2HB PRO 37 -17.432 -12.876 1.200 210 HB3 PRO 37 3HB PRO 37 -18.405 -14.329 1.452 211 HG2 PRO 37 2HG PRO 37 -15.430 -14.050 1.273 212 HG3 PRO 37 3HG PRO 37 -16.397 -15.017 2.402 213 HD2 PRO 37 2HD PRO 37 -15.178 -16.092 0.236 214 HD3 PRO 37 3HD PRO 37 -16.715 -16.713 0.874 215 H VAL 38 H VAL 38 -15.458 -14.122 -1.862 216 HA VAL 38 HA VAL 38 -15.830 -11.465 -2.994 217 HB VAL 38 HB VAL 38 -13.328 -12.140 -1.443 218 HG11 VAL 38 1HG1 VAL 38 -14.168 -9.492 -2.600 219 HG12 VAL 38 2HG1 VAL 38 -12.599 -9.936 -1.927 220 HG13 VAL 38 3HG1 VAL 38 -13.133 -10.635 -3.456 221 HG21 VAL 38 1HG2 VAL 38 -15.175 -11.789 0.088 222 HG22 VAL 38 2HG2 VAL 38 -14.076 -10.411 0.144 223 HG23 VAL 38 3HG2 VAL 38 -15.601 -10.287 -0.733 224 HA PRO 39 HA PRO 39 -14.029 -13.504 -6.467 225 HB2 PRO 39 2HB PRO 39 -13.464 -11.306 -7.957 226 HB3 PRO 39 3HB PRO 39 -15.105 -11.928 -7.748 227 HG2 PRO 39 2HG PRO 39 -13.744 -9.664 -6.340 228 HG3 PRO 39 3HG PRO 39 -15.396 -9.753 -6.979 229 HD2 PRO 39 2HD PRO 39 -14.830 -10.086 -4.352 230 HD3 PRO 39 3HD PRO 39 -16.174 -10.925 -5.154 231 H ILE 40 H ILE 40 -12.336 -10.648 -5.181 232 HA ILE 40 HA ILE 40 -9.790 -11.621 -6.177 233 HB ILE 40 HB ILE 40 -8.865 -9.568 -5.095 234 HG12 ILE 40 2HG1 ILE 40 -11.075 -7.971 -4.703 235 HG13 ILE 40 3HG1 ILE 40 -11.588 -9.506 -4.011 236 HG21 ILE 40 1HG2 ILE 40 -11.184 -8.858 -6.863 237 HG22 ILE 40 2HG2 ILE 40 -9.583 -8.123 -6.794 238 HG23 ILE 40 3HG2 ILE 40 -9.783 -9.739 -7.471 239 HD11 ILE 40 1HD1 ILE 40 -9.357 -7.710 -3.179 240 HD12 ILE 40 2HD1 ILE 40 -10.647 -8.423 -2.211 241 HD13 ILE 40 3HD1 ILE 40 -9.315 -9.427 -2.782 242 H ILE 41 H ILE 41 -8.485 -12.907 -5.067 243 HA ILE 41 HA ILE 41 -9.052 -13.496 -2.286 244 HB ILE 41 HB ILE 41 -7.819 -15.409 -2.521 245 HG12 ILE 41 2HG1 ILE 41 -6.199 -14.606 -4.875 246 HG13 ILE 41 3HG1 ILE 41 -5.819 -13.809 -3.352 247 HG21 ILE 41 1HG2 ILE 41 -8.329 -14.887 -5.439 248 HG22 ILE 41 2HG2 ILE 41 -8.349 -16.431 -4.589 249 HG23 ILE 41 3HG2 ILE 41 -9.616 -15.242 -4.286 250 HD11 ILE 41 1HD1 ILE 41 -5.154 -16.452 -4.251 251 HD12 ILE 41 2HD1 ILE 41 -4.562 -15.556 -2.852 252 HD13 ILE 41 3HD1 ILE 41 -6.037 -16.515 -2.726 253 H ALA 42 H ALA 42 -7.033 -13.829 -0.850 254 HA ALA 42 HA ALA 42 -4.935 -11.869 -1.287 255 HB1 ALA 42 1HB ALA 42 -7.020 -10.825 -0.097 256 HB2 ALA 42 2HB ALA 42 -6.366 -11.649 1.319 257 HB3 ALA 42 3HB ALA 42 -5.389 -10.455 0.465 258 H CYS 43 H CYS 43 -3.065 -12.702 -0.639 259 HA CYS 43 HA CYS 43 -3.094 -15.054 1.093 260 HB2 CYS 43 2HB CYS 43 -0.740 -13.884 -0.395 261 HB3 CYS 43 3HB CYS 43 -0.876 -15.498 0.295 262 H ASN 44 H ASN 44 -2.618 -14.916 3.177 263 HA ASN 44 HA ASN 44 -1.598 -12.440 4.273 264 HB2 ASN 44 2HB ASN 44 -2.275 -13.233 6.365 265 HB3 ASN 44 3HB ASN 44 -3.457 -13.947 5.272 266 HD21 ASN 44 1HD2 ASN 44 -1.544 -15.890 4.232 267 HD22 ASN 44 2HD2 ASN 44 -1.366 -17.088 5.465 268 H ARG 45 H ARG 45 0.164 -12.461 5.885 269 HA ARG 45 HA ARG 45 2.399 -14.040 4.874 270 HB2 ARG 45 2HB ARG 45 3.762 -12.494 6.322 271 HB3 ARG 45 3HB ARG 45 2.864 -11.709 5.029 272 HG2 ARG 45 2HG ARG 45 1.628 -10.508 6.452 273 HG3 ARG 45 3HG ARG 45 1.411 -11.864 7.560 274 HD2 ARG 45 2HD ARG 45 3.124 -11.226 8.860 275 HD3 ARG 45 3HD ARG 45 4.142 -10.824 7.478 276 HE ARG 45 HE ARG 45 2.090 -8.898 7.809 277 HH11 ARG 45 1HH1 ARG 45 5.126 -9.948 9.151 278 HH12 ARG 45 2HH1 ARG 45 5.541 -8.385 9.772 279 HH21 ARG 45 1HH2 ARG 45 2.625 -6.835 8.621 280 HH22 ARG 45 2HH2 ARG 45 4.118 -6.615 9.471 281 H ARG 46 H ARG 46 1.627 -16.033 5.842 282 HA ARG 46 HA ARG 46 2.389 -16.216 8.677 283 HB2 ARG 46 2HB ARG 46 -0.070 -17.257 7.322 284 HB3 ARG 46 3HB ARG 46 0.603 -18.136 8.688 285 HG2 ARG 46 2HG ARG 46 -0.050 -15.210 8.831 286 HG3 ARG 46 3HG ARG 46 -1.237 -16.467 9.184 287 HD2 ARG 46 2HD ARG 46 1.268 -16.938 10.558 288 HD3 ARG 46 3HD ARG 46 0.599 -15.355 10.951 289 HE ARG 46 HE ARG 46 -1.502 -17.111 11.169 290 HH11 ARG 46 1HH1 ARG 46 1.645 -16.768 12.618 291 HH12 ARG 46 2HH1 ARG 46 1.175 -17.491 14.121 292 HH21 ARG 46 1HH2 ARG 46 -2.133 -18.064 13.143 293 HH22 ARG 46 2HH2 ARG 46 -0.974 -18.228 14.418 294 H THR 47 H THR 47 1.252 -18.689 6.416 295 HA THR 47 HA THR 47 3.950 -19.861 6.394 296 HB THR 47 HB THR 47 2.701 -21.115 8.053 297 HG1 THR 47 HG1 THR 47 2.729 -23.206 6.894 298 HG21 THR 47 1HG2 THR 47 0.745 -22.417 6.438 299 HG22 THR 47 2HG2 THR 47 0.520 -20.673 6.296 300 HG23 THR 47 3HG2 THR 47 0.505 -21.438 7.885 301 H GLY 48 H GLY 48 1.396 -18.712 4.641 302 HA2 GLY 48 2HA GLY 48 1.726 -18.630 2.218 303 HA3 GLY 48 3HA GLY 48 2.189 -20.324 2.296 304 H LYS 49 H LYS 49 -0.561 -18.219 3.137 305 HA LYS 49 HA LYS 49 -2.347 -20.024 1.720 306 HB2 LYS 49 2HB LYS 49 -3.592 -20.741 3.487 307 HB3 LYS 49 3HB LYS 49 -2.058 -20.546 4.326 308 HG2 LYS 49 2HG LYS 49 -2.785 -18.284 5.029 309 HG3 LYS 49 3HG LYS 49 -4.355 -18.600 4.286 310 HD2 LYS 49 2HD LYS 49 -3.419 -20.678 6.143 311 HD3 LYS 49 3HD LYS 49 -3.747 -19.110 6.884 312 HE2 LYS 49 2HE LYS 49 -5.814 -19.870 5.002 313 HE3 LYS 49 3HE LYS 49 -5.602 -21.083 6.264 314 HZ1 LYS 49 1HZ LYS 49 -7.223 -19.213 6.724 315 HZ2 LYS 49 2HZ LYS 49 -5.874 -18.206 6.895 316 HZ3 LYS 49 3HZ LYS 49 -6.076 -19.531 7.927 317 H CYS 50 H CYS 50 -4.137 -19.020 0.901 318 HA CYS 50 HA CYS 50 -4.462 -16.165 1.559 319 HB2 CYS 50 2HB CYS 50 -5.221 -17.216 -1.134 320 HB3 CYS 50 3HB CYS 50 -4.703 -15.599 -0.670 321 H GLN 51 H GLN 51 -6.724 -15.485 0.404 322 HA GLN 51 HA GLN 51 -8.833 -17.368 0.541 323 HB2 GLN 51 2HB GLN 51 -9.956 -16.562 2.565 324 HB3 GLN 51 3HB GLN 51 -8.387 -17.263 2.942 325 HG2 GLN 51 2HG GLN 51 -8.218 -14.413 2.459 326 HG3 GLN 51 3HG GLN 51 -9.340 -14.805 3.760 327 HE21 GLN 51 1HE2 GLN 51 -6.039 -15.029 2.656 328 HE22 GLN 51 2HE2 GLN 51 -5.338 -15.367 4.198 329 H ARG 52 H ARG 52 -11.030 -16.051 0.828 330 HA ARG 52 HA ARG 52 -10.907 -13.986 -1.201 331 HB2 ARG 52 2HB ARG 52 -13.303 -15.144 0.236 332 HB3 ARG 52 3HB ARG 52 -13.347 -14.113 -1.188 333 HG2 ARG 52 2HG ARG 52 -13.613 -16.167 -2.146 334 HG3 ARG 52 3HG ARG 52 -11.857 -16.007 -2.220 335 HD2 ARG 52 2HD ARG 52 -11.536 -17.456 -0.409 336 HD3 ARG 52 3HD ARG 52 -13.214 -17.315 0.114 337 HE ARG 52 HE ARG 52 -13.794 -18.948 -1.391 338 HH11 ARG 52 1HH1 ARG 52 -10.562 -17.841 -2.061 339 HH12 ARG 52 2HH1 ARG 52 -10.229 -19.097 -3.208 340 HH21 ARG 52 1HH2 ARG 52 -13.368 -20.606 -2.899 341 HH22 ARG 52 2HH2 ARG 52 -11.827 -20.669 -3.684 342 H ALA 53 H ALA 53 -10.865 -11.879 -0.799 343 HA ALA 53 HA ALA 53 -12.372 -10.562 1.160 344 HB1 ALA 53 1HB ALA 53 -11.179 -10.960 3.002 345 HB2 ALA 53 2HB ALA 53 -9.821 -11.611 2.084 346 HB3 ALA 53 3HB ALA 53 -9.972 -9.870 2.318 Start of MODEL 14 1 H1 GLY 1 H GLY 1 4.618 -2.903 -5.338 2 HA2 GLY 1 2HA GLY 1 5.105 -0.578 -5.878 3 HA3 GLY 1 3HA GLY 1 3.714 -0.620 -4.804 4 H SER 2 H SER 2 4.446 -0.771 -2.377 5 HA SER 2 HA SER 2 6.323 1.450 -1.987 6 HB2 SER 2 2HB SER 2 4.439 2.122 -0.869 7 HB3 SER 2 3HB SER 2 3.918 0.471 -0.534 8 HG SER 2 HG SER 2 5.286 2.158 1.040 9 H LYS 3 H LYS 3 5.357 -1.302 0.056 10 HA LYS 3 HA LYS 3 8.210 -1.936 0.417 11 HB2 LYS 3 2HB LYS 3 7.865 -2.336 2.764 12 HB3 LYS 3 3HB LYS 3 7.281 -0.721 2.386 13 HG2 LYS 3 2HG LYS 3 5.016 -2.172 2.070 14 HG3 LYS 3 3HG LYS 3 5.828 -3.080 3.347 15 HD2 LYS 3 2HD LYS 3 5.906 -1.200 4.772 16 HD3 LYS 3 3HD LYS 3 5.497 -0.092 3.459 17 HE2 LYS 3 2HE LYS 3 3.343 -1.701 3.398 18 HE3 LYS 3 3HE LYS 3 3.756 -1.819 5.108 19 HZ1 LYS 3 1HZ LYS 3 3.112 0.629 3.567 20 HZ2 LYS 3 2HZ LYS 3 3.793 0.671 5.115 21 HZ3 LYS 3 3HZ LYS 3 2.267 -0.021 4.881 22 H LYS 4 H LYS 4 8.730 -4.016 0.145 23 HA LYS 4 HA LYS 4 6.528 -5.960 -0.073 24 HB2 LYS 4 2HB LYS 4 8.191 -7.263 -1.488 25 HB3 LYS 4 3HB LYS 4 7.557 -5.783 -2.195 26 HG2 LYS 4 2HG LYS 4 9.619 -4.613 -1.481 27 HG3 LYS 4 3HG LYS 4 10.255 -6.159 -0.914 28 HD2 LYS 4 2HD LYS 4 11.118 -6.328 -2.980 29 HD3 LYS 4 3HD LYS 4 9.478 -6.774 -3.457 30 HE2 LYS 4 2HE LYS 4 9.888 -5.092 -4.952 31 HE3 LYS 4 3HE LYS 4 9.178 -4.164 -3.631 32 HZ1 LYS 4 1HZ LYS 4 12.095 -4.561 -3.770 33 HZ2 LYS 4 2HZ LYS 4 11.224 -3.330 -3.006 34 HZ3 LYS 4 3HZ LYS 4 11.357 -3.350 -4.692 35 HA PRO 5 HA PRO 5 8.964 -7.247 3.635 36 HB2 PRO 5 2HB PRO 5 6.788 -8.015 5.066 37 HB3 PRO 5 3HB PRO 5 7.376 -6.349 5.031 38 HG2 PRO 5 2HG PRO 5 5.130 -7.598 3.496 39 HG3 PRO 5 3HG PRO 5 5.189 -6.023 4.309 40 HD2 PRO 5 2HD PRO 5 5.515 -6.295 1.635 41 HD3 PRO 5 3HD PRO 5 6.332 -5.029 2.572 42 H VAL 6 H VAL 6 6.081 -8.871 2.302 43 HA VAL 6 HA VAL 6 7.467 -11.448 2.640 44 HB VAL 6 HB VAL 6 4.848 -12.069 2.038 45 HG11 VAL 6 1HG1 VAL 6 4.788 -13.011 4.162 46 HG12 VAL 6 2HG1 VAL 6 6.516 -12.919 3.816 47 HG13 VAL 6 3HG1 VAL 6 5.761 -11.722 4.869 48 HG21 VAL 6 1HG2 VAL 6 4.767 -9.824 4.042 49 HG22 VAL 6 2HG2 VAL 6 4.336 -9.622 2.344 50 HG23 VAL 6 3HG2 VAL 6 3.409 -10.722 3.364 51 HA PRO 7 HA PRO 7 7.611 -12.164 -1.686 52 HB2 PRO 7 2HB PRO 7 7.003 -14.804 -1.865 53 HB3 PRO 7 3HB PRO 7 8.540 -14.214 -1.221 54 HG2 PRO 7 2HG PRO 7 6.098 -15.133 0.247 55 HG3 PRO 7 3HG PRO 7 7.804 -15.483 0.583 56 HD2 PRO 7 2HD PRO 7 6.403 -13.613 1.952 57 HD3 PRO 7 3HD PRO 7 8.142 -13.458 1.633 58 H ILE 8 H ILE 8 4.770 -13.757 -0.229 59 HA ILE 8 HA ILE 8 3.241 -13.718 -2.624 60 HB ILE 8 HB ILE 8 1.306 -14.231 -1.125 61 HG12 ILE 8 2HG1 ILE 8 2.513 -14.921 1.262 62 HG13 ILE 8 3HG1 ILE 8 3.261 -13.375 0.877 63 HG21 ILE 8 1HG2 ILE 8 3.559 -16.037 -0.367 64 HG22 ILE 8 2HG2 ILE 8 1.917 -16.438 -0.867 65 HG23 ILE 8 3HG2 ILE 8 3.091 -15.883 -2.060 66 HD11 ILE 8 1HD1 ILE 8 0.724 -13.871 2.008 67 HD12 ILE 8 2HD1 ILE 8 1.466 -12.321 1.610 68 HD13 ILE 8 3HD1 ILE 8 0.469 -13.154 0.417 69 H ILE 9 H ILE 9 0.938 -12.677 -2.486 70 HA ILE 9 HA ILE 9 1.204 -9.900 -1.541 71 HB ILE 9 HB ILE 9 0.504 -8.981 -3.518 72 HG12 ILE 9 2HG1 ILE 9 -0.491 -11.456 -4.822 73 HG13 ILE 9 3HG1 ILE 9 -1.453 -10.827 -3.489 74 HG21 ILE 9 1HG2 ILE 9 1.590 -11.380 -4.890 75 HG22 ILE 9 2HG2 ILE 9 1.986 -9.676 -5.105 76 HG23 ILE 9 3HG2 ILE 9 2.619 -10.559 -3.717 77 HD11 ILE 9 1HD1 ILE 9 -2.430 -9.540 -5.010 78 HD12 ILE 9 2HD1 ILE 9 -0.942 -8.592 -5.004 79 HD13 ILE 9 3HD1 ILE 9 -1.175 -9.860 -6.207 80 H ALA 10 H ALA 10 -1.035 -8.776 -1.671 81 HA ALA 10 HA ALA 10 -3.265 -10.564 -1.137 82 HB1 ALA 10 1HB ALA 10 -3.061 -8.543 0.957 83 HB2 ALA 10 2HB ALA 10 -3.437 -10.263 1.071 84 HB3 ALA 10 3HB ALA 10 -1.758 -9.731 0.997 85 H CYS 11 H CYS 11 -5.100 -9.743 -1.920 86 HA CYS 11 HA CYS 11 -5.083 -6.988 -2.884 87 HB2 CYS 11 2HB CYS 11 -7.147 -9.147 -3.354 88 HB3 CYS 11 3HB CYS 11 -7.012 -7.615 -4.210 89 H ASN 12 H ASN 12 -7.320 -5.879 -2.775 90 HA ASN 12 HA ASN 12 -8.624 -6.357 -0.194 91 HB2 ASN 12 2HB ASN 12 -8.264 -4.245 0.644 92 HB3 ASN 12 3HB ASN 12 -6.764 -4.471 -0.252 93 HD21 ASN 12 1HD2 ASN 12 -7.698 -4.100 -2.837 94 HD22 ASN 12 2HD2 ASN 12 -8.180 -2.452 -3.025 95 H ARG 13 H ARG 13 -10.706 -5.237 0.009 96 HA ARG 13 HA ARG 13 -12.105 -5.259 -2.544 97 HB2 ARG 13 2HB ARG 13 -14.151 -5.090 -1.091 98 HB3 ARG 13 3HB ARG 13 -13.166 -6.522 -0.819 99 HG2 ARG 13 2HG ARG 13 -12.737 -5.966 1.299 100 HG3 ARG 13 3HG ARG 13 -12.445 -4.273 0.893 101 HD2 ARG 13 2HD ARG 13 -15.245 -5.135 0.678 102 HD3 ARG 13 3HD ARG 13 -14.579 -5.182 2.309 103 HE ARG 13 HE ARG 13 -13.865 -2.730 1.298 104 HH11 ARG 13 1HH1 ARG 13 -16.841 -4.447 1.861 105 HH12 ARG 13 2HH1 ARG 13 -17.770 -3.010 2.138 106 HH21 ARG 13 1HH2 ARG 13 -15.077 -0.831 1.660 107 HH22 ARG 13 2HH2 ARG 13 -16.765 -0.954 2.022 108 H ARG 14 H ARG 14 -11.118 -3.257 -3.287 109 HA ARG 14 HA ARG 14 -12.546 -0.909 -2.236 110 HB2 ARG 14 2HB ARG 14 -10.561 -0.110 -1.559 111 HB3 ARG 14 3HB ARG 14 -9.673 -1.342 -2.446 112 HG2 ARG 14 2HG ARG 14 -9.002 0.765 -3.297 113 HG3 ARG 14 3HG ARG 14 -10.033 0.016 -4.518 114 HD2 ARG 14 2HD ARG 14 -11.905 1.359 -3.187 115 HD3 ARG 14 3HD ARG 14 -10.524 2.384 -2.800 116 HE ARG 14 HE ARG 14 -10.317 2.117 -5.468 117 HH11 ARG 14 1HH1 ARG 14 -12.977 2.974 -3.392 118 HH12 ARG 14 2HH1 ARG 14 -13.742 3.985 -4.572 119 HH21 ARG 14 1HH2 ARG 14 -11.314 3.446 -7.030 120 HH22 ARG 14 2HH2 ARG 14 -12.796 4.252 -6.642 121 H THR 15 H THR 15 -10.865 -2.374 -4.982 122 HA THR 15 HA THR 15 -12.830 -1.634 -6.848 123 HB THR 15 HB THR 15 -11.813 0.635 -6.418 124 HG1 THR 15 HG1 THR 15 -11.997 -0.622 -8.919 125 HG21 THR 15 1HG2 THR 15 -9.643 1.153 -7.017 126 HG22 THR 15 2HG2 THR 15 -9.501 -0.229 -8.103 127 HG23 THR 15 3HG2 THR 15 -9.441 -0.469 -6.357 128 H GLY 16 H GLY 16 -9.599 -2.670 -6.105 129 HA2 GLY 16 2HA GLY 16 -9.262 -4.924 -7.323 130 HA3 GLY 16 3HA GLY 16 -9.339 -3.914 -8.758 131 H LYS 17 H LYS 17 -7.645 -3.960 -5.620 132 HA LYS 17 HA LYS 17 -5.105 -3.707 -7.026 133 HB2 LYS 17 2HB LYS 17 -4.430 -1.714 -6.083 134 HB3 LYS 17 3HB LYS 17 -6.143 -1.400 -6.328 135 HG2 LYS 17 2HG LYS 17 -6.574 -1.973 -3.984 136 HG3 LYS 17 3HG LYS 17 -4.848 -2.252 -3.745 137 HD2 LYS 17 2HD LYS 17 -5.894 0.368 -4.776 138 HD3 LYS 17 3HD LYS 17 -5.801 0.024 -3.047 139 HE2 LYS 17 2HE LYS 17 -3.424 -0.317 -3.193 140 HE3 LYS 17 3HE LYS 17 -3.469 -0.173 -4.949 141 HZ1 LYS 17 1HZ LYS 17 -3.267 2.010 -4.772 142 HZ2 LYS 17 2HZ LYS 17 -3.100 1.856 -3.096 143 HZ3 LYS 17 3HZ LYS 17 -4.628 2.115 -3.773 144 H CYS 18 H CYS 18 -3.357 -4.530 -5.905 145 HA CYS 18 HA CYS 18 -3.895 -5.623 -3.227 146 HB2 CYS 18 2HB CYS 18 -2.222 -7.170 -5.171 147 HB3 CYS 18 3HB CYS 18 -3.118 -7.744 -3.768 148 H GLN 19 H GLN 19 -1.540 -6.725 -2.596 149 HA GLN 19 HA GLN 19 0.758 -5.263 -3.335 150 HB2 GLN 19 2HB GLN 19 1.085 -3.836 -1.448 151 HB3 GLN 19 3HB GLN 19 -0.513 -3.487 -2.095 152 HG2 GLN 19 2HG GLN 19 -0.798 -5.517 -0.143 153 HG3 GLN 19 3HG GLN 19 0.215 -4.245 0.538 154 HE21 GLN 19 1HE2 GLN 19 -2.907 -5.017 -0.803 155 HE22 GLN 19 2HE2 GLN 19 -3.726 -3.612 -0.220 156 H ARG 20 H ARG 20 2.288 -5.377 -1.077 157 HA ARG 20 HA ARG 20 2.488 -8.258 -0.681 158 HB2 ARG 20 2HB ARG 20 4.385 -6.018 0.043 159 HB3 ARG 20 3HB ARG 20 4.711 -7.729 0.281 160 HG2 ARG 20 2HG ARG 20 3.990 -6.803 -2.448 161 HG3 ARG 20 3HG ARG 20 5.600 -6.433 -1.828 162 HD2 ARG 20 2HD ARG 20 6.263 -8.596 -1.879 163 HD3 ARG 20 3HD ARG 20 4.666 -9.205 -1.448 164 HE ARG 20 HE ARG 20 4.229 -9.479 -3.669 165 HH11 ARG 20 1HH1 ARG 20 6.871 -7.239 -3.320 166 HH12 ARG 20 2HH1 ARG 20 7.183 -7.139 -5.021 167 HH21 ARG 20 1HH2 ARG 20 4.629 -9.356 -5.912 168 HH22 ARG 20 2HH2 ARG 20 5.907 -8.343 -6.495 169 H ALA 21 H ALA 21 2.270 -9.280 1.248 170 HA ALA 21 HA ALA 21 1.715 -9.651 3.426 171 HB1 ALA 21 1HB ALA 21 3.207 -7.163 3.486 172 HB2 ALA 21 2HB ALA 21 2.020 -7.265 4.788 173 HB3 ALA 21 3HB ALA 21 3.238 -8.528 4.603 174 H1 GLY 33 H GLY 33 -11.346 -22.276 2.322 175 HA2 GLY 33 2HA GLY 33 -12.337 -21.038 0.480 176 HA3 GLY 33 3HA GLY 33 -12.514 -22.564 -0.374 177 H SER 34 H SER 34 -13.439 -21.273 2.823 178 HA SER 34 HA SER 34 -15.969 -22.700 2.647 179 HB2 SER 34 2HB SER 34 -14.539 -21.214 4.834 180 HB3 SER 34 3HB SER 34 -16.249 -21.613 4.994 181 HG SER 34 HG SER 34 -15.712 -23.599 5.391 182 H LYS 35 H LYS 35 -14.896 -19.351 3.222 183 HA LYS 35 HA LYS 35 -17.465 -18.441 2.099 184 HB2 LYS 35 2HB LYS 35 -16.933 -18.076 4.642 185 HB3 LYS 35 3HB LYS 35 -15.918 -16.770 4.044 186 HG2 LYS 35 2HG LYS 35 -17.796 -15.564 4.291 187 HG3 LYS 35 3HG LYS 35 -18.190 -16.239 2.709 188 HD2 LYS 35 2HD LYS 35 -19.207 -18.192 4.108 189 HD3 LYS 35 3HD LYS 35 -19.223 -17.000 5.410 190 HE2 LYS 35 2HE LYS 35 -20.495 -15.473 3.930 191 HE3 LYS 35 3HE LYS 35 -20.551 -16.747 2.713 192 HZ1 LYS 35 1HZ LYS 35 -22.542 -16.490 4.255 193 HZ2 LYS 35 2HZ LYS 35 -21.571 -17.192 5.450 194 HZ3 LYS 35 3HZ LYS 35 -21.928 -18.052 4.037 195 H LYS 36 H LYS 36 -17.355 -17.102 0.408 196 HA LYS 36 HA LYS 36 -14.878 -15.614 -0.083 197 HB2 LYS 36 2HB LYS 36 -16.290 -17.329 -2.134 198 HB3 LYS 36 3HB LYS 36 -14.954 -16.238 -2.476 199 HG2 LYS 36 2HG LYS 36 -14.616 -18.378 -0.426 200 HG3 LYS 36 3HG LYS 36 -14.523 -18.782 -2.142 201 HD2 LYS 36 2HD LYS 36 -12.857 -16.823 -2.292 202 HD3 LYS 36 3HD LYS 36 -12.762 -16.959 -0.535 203 HE2 LYS 36 2HE LYS 36 -11.241 -18.555 -0.819 204 HE3 LYS 36 3HE LYS 36 -12.518 -19.571 -1.486 205 HZ1 LYS 36 1HZ LYS 36 -11.122 -17.641 -3.216 206 HZ2 LYS 36 2HZ LYS 36 -11.905 -19.080 -3.636 207 HZ3 LYS 36 3HZ LYS 36 -10.401 -19.131 -2.865 208 HA PRO 37 HA PRO 37 -18.623 -12.954 -0.567 209 HB2 PRO 37 2HB PRO 37 -17.525 -10.807 0.681 210 HB3 PRO 37 3HB PRO 37 -18.340 -12.112 1.552 211 HG2 PRO 37 2HG PRO 37 -15.412 -11.659 1.123 212 HG3 PRO 37 3HG PRO 37 -16.262 -12.163 2.595 213 HD2 PRO 37 2HD PRO 37 -14.958 -13.915 0.995 214 HD3 PRO 37 3HD PRO 37 -16.415 -14.357 1.908 215 H VAL 38 H VAL 38 -15.232 -11.862 -0.801 216 HA VAL 38 HA VAL 38 -15.952 -10.244 -3.138 217 HB VAL 38 HB VAL 38 -14.111 -9.875 -0.983 218 HG11 VAL 38 1HG1 VAL 38 -12.107 -9.227 -2.214 219 HG12 VAL 38 2HG1 VAL 38 -12.455 -10.943 -2.434 220 HG13 VAL 38 3HG1 VAL 38 -12.837 -9.794 -3.716 221 HG21 VAL 38 1HG2 VAL 38 -15.103 -7.916 -1.413 222 HG22 VAL 38 2HG2 VAL 38 -13.854 -7.703 -2.639 223 HG23 VAL 38 3HG2 VAL 38 -15.432 -8.347 -3.091 224 HA PRO 39 HA PRO 39 -14.039 -12.956 -6.015 225 HB2 PRO 39 2HB PRO 39 -13.107 -11.184 -7.849 226 HB3 PRO 39 3HB PRO 39 -14.824 -11.560 -7.662 227 HG2 PRO 39 2HG PRO 39 -13.270 -9.228 -6.609 228 HG3 PRO 39 3HG PRO 39 -14.878 -9.255 -7.357 229 HD2 PRO 39 2HD PRO 39 -14.520 -9.112 -4.677 230 HD3 PRO 39 3HD PRO 39 -15.909 -9.938 -5.412 231 H ILE 40 H ILE 40 -12.012 -10.048 -5.561 232 HA ILE 40 HA ILE 40 -9.583 -11.454 -6.050 233 HB ILE 40 HB ILE 40 -8.486 -9.377 -5.183 234 HG12 ILE 40 2HG1 ILE 40 -10.519 -7.520 -5.173 235 HG13 ILE 40 3HG1 ILE 40 -11.244 -8.879 -4.321 236 HG21 ILE 40 1HG2 ILE 40 -9.808 -7.913 -7.009 237 HG22 ILE 40 2HG2 ILE 40 -8.643 -9.169 -7.425 238 HG23 ILE 40 3HG2 ILE 40 -10.370 -9.527 -7.446 239 HD11 ILE 40 1HD1 ILE 40 -8.860 -7.241 -3.580 240 HD12 ILE 40 2HD1 ILE 40 -10.291 -7.635 -2.626 241 HD13 ILE 40 3HD1 ILE 40 -9.071 -8.870 -2.937 242 H ILE 41 H ILE 41 -8.440 -12.671 -4.705 243 HA ILE 41 HA ILE 41 -9.154 -12.715 -1.874 244 HB ILE 41 HB ILE 41 -8.427 -14.860 -1.782 245 HG12 ILE 41 2HG1 ILE 41 -6.576 -15.572 -3.598 246 HG13 ILE 41 3HG1 ILE 41 -6.220 -13.851 -3.494 247 HG21 ILE 41 1HG2 ILE 41 -10.005 -14.595 -3.741 248 HG22 ILE 41 2HG2 ILE 41 -8.588 -14.726 -4.781 249 HG23 ILE 41 3HG2 ILE 41 -9.031 -16.065 -3.723 250 HD11 ILE 41 1HD1 ILE 41 -6.518 -15.264 -0.929 251 HD12 ILE 41 2HD1 ILE 41 -5.114 -15.696 -1.905 252 HD13 ILE 41 3HD1 ILE 41 -5.369 -14.020 -1.420 253 H ALA 42 H ALA 42 -7.548 -12.664 -0.217 254 HA ALA 42 HA ALA 42 -5.000 -11.418 -0.999 255 HB1 ALA 42 1HB ALA 42 -7.014 -9.986 0.129 256 HB2 ALA 42 2HB ALA 42 -6.103 -10.488 1.554 257 HB3 ALA 42 3HB ALA 42 -5.301 -9.589 0.266 258 H CYS 43 H CYS 43 -3.263 -12.331 -0.103 259 HA CYS 43 HA CYS 43 -3.685 -14.348 1.981 260 HB2 CYS 43 2HB CYS 43 -1.344 -13.860 0.129 261 HB3 CYS 43 3HB CYS 43 -1.398 -15.122 1.356 262 H ASN 44 H ASN 44 -2.922 -14.121 3.993 263 HA ASN 44 HA ASN 44 -1.720 -11.605 4.741 264 HB2 ASN 44 2HB ASN 44 -2.266 -12.142 6.933 265 HB3 ASN 44 3HB ASN 44 -3.509 -13.009 6.035 266 HD21 ASN 44 1HD2 ASN 44 -1.750 -15.080 5.100 267 HD22 ASN 44 2HD2 ASN 44 -1.400 -16.090 6.458 268 H ARG 45 H ARG 45 0.157 -11.592 6.274 269 HA ARG 45 HA ARG 45 2.276 -13.263 5.166 270 HB2 ARG 45 2HB ARG 45 3.781 -11.694 6.422 271 HB3 ARG 45 3HB ARG 45 2.782 -10.928 5.194 272 HG2 ARG 45 2HG ARG 45 1.874 -9.570 6.690 273 HG3 ARG 45 3HG ARG 45 1.429 -10.925 7.730 274 HD2 ARG 45 2HD ARG 45 3.709 -10.939 8.652 275 HD3 ARG 45 3HD ARG 45 4.115 -9.555 7.638 276 HE ARG 45 HE ARG 45 1.842 -9.091 9.323 277 HH11 ARG 45 1HH1 ARG 45 5.320 -9.061 9.165 278 HH12 ARG 45 2HH1 ARG 45 5.498 -7.902 10.441 279 HH21 ARG 45 1HH2 ARG 45 2.064 -7.565 11.005 280 HH22 ARG 45 2HH2 ARG 45 3.645 -7.053 11.487 281 H ARG 46 H ARG 46 1.559 -15.201 6.265 282 HA ARG 46 HA ARG 46 2.519 -15.287 9.044 283 HB2 ARG 46 2HB ARG 46 -0.067 -16.268 7.920 284 HB3 ARG 46 3HB ARG 46 0.695 -17.200 9.203 285 HG2 ARG 46 2HG ARG 46 0.176 -14.256 9.461 286 HG3 ARG 46 3HG ARG 46 -1.029 -15.472 9.891 287 HD2 ARG 46 2HD ARG 46 1.490 -16.173 11.053 288 HD3 ARG 46 3HD ARG 46 1.104 -14.501 11.459 289 HE ARG 46 HE ARG 46 -1.199 -15.933 11.927 290 HH11 ARG 46 1HH1 ARG 46 2.087 -15.987 13.076 291 HH12 ARG 46 2HH1 ARG 46 1.667 -16.592 14.643 292 HH21 ARG 46 1HH2 ARG 46 -1.765 -16.731 13.988 293 HH22 ARG 46 2HH2 ARG 46 -0.524 -17.016 15.161 294 H THR 47 H THR 47 1.201 -17.786 6.900 295 HA THR 47 HA THR 47 3.858 -18.971 6.614 296 HB THR 47 HB THR 47 2.981 -20.059 8.604 297 HG1 THR 47 HG1 THR 47 4.008 -21.659 7.656 298 HG21 THR 47 1HG2 THR 47 0.830 -20.587 8.881 299 HG22 THR 47 2HG2 THR 47 0.815 -21.538 7.396 300 HG23 THR 47 3HG2 THR 47 0.506 -19.803 7.335 301 H GLY 48 H GLY 48 1.324 -17.825 5.087 302 HA2 GLY 48 2HA GLY 48 1.199 -18.117 2.687 303 HA3 GLY 48 3HA GLY 48 1.512 -19.829 2.931 304 H LYS 49 H LYS 49 -0.843 -17.423 4.114 305 HA LYS 49 HA LYS 49 -2.961 -19.404 3.584 306 HB2 LYS 49 2HB LYS 49 -2.481 -17.533 5.822 307 HB3 LYS 49 3HB LYS 49 -4.148 -17.644 5.271 308 HG2 LYS 49 2HG LYS 49 -4.003 -20.115 5.551 309 HG3 LYS 49 3HG LYS 49 -2.410 -19.885 6.276 310 HD2 LYS 49 2HD LYS 49 -4.971 -18.656 7.293 311 HD3 LYS 49 3HD LYS 49 -4.209 -20.102 7.958 312 HE2 LYS 49 2HE LYS 49 -2.195 -18.159 7.850 313 HE3 LYS 49 3HE LYS 49 -3.626 -17.327 8.458 314 HZ1 LYS 49 1HZ LYS 49 -3.323 -18.278 10.418 315 HZ2 LYS 49 2HZ LYS 49 -1.915 -19.025 9.851 316 HZ3 LYS 49 3HZ LYS 49 -3.402 -19.823 9.732 317 H CYS 50 H CYS 50 -4.791 -18.782 2.488 318 HA CYS 50 HA CYS 50 -4.810 -16.040 1.409 319 HB2 CYS 50 2HB CYS 50 -5.320 -18.641 -0.036 320 HB3 CYS 50 3HB CYS 50 -5.812 -17.080 -0.683 321 H GLN 51 H GLN 51 -6.871 -15.159 0.919 322 HA GLN 51 HA GLN 51 -9.302 -16.528 1.380 323 HB2 GLN 51 2HB GLN 51 -10.008 -15.533 3.461 324 HB3 GLN 51 3HB GLN 51 -8.491 -16.383 3.724 325 HG2 GLN 51 2HG GLN 51 -8.128 -13.582 3.020 326 HG3 GLN 51 3HG GLN 51 -9.056 -13.819 4.500 327 HE21 GLN 51 1HE2 GLN 51 -6.089 -14.869 2.883 328 HE22 GLN 51 2HE2 GLN 51 -5.147 -15.015 4.324 329 H ARG 52 H ARG 52 -10.929 -14.441 2.203 330 HA ARG 52 HA ARG 52 -10.900 -12.798 -0.177 331 HB2 ARG 52 2HB ARG 52 -13.070 -11.950 0.693 332 HB3 ARG 52 3HB ARG 52 -13.021 -13.701 0.530 333 HG2 ARG 52 2HG ARG 52 -12.247 -12.651 3.167 334 HG3 ARG 52 3HG ARG 52 -13.934 -12.411 2.706 335 HD2 ARG 52 2HD ARG 52 -14.410 -14.557 3.052 336 HD3 ARG 52 3HD ARG 52 -13.051 -15.079 2.057 337 HE ARG 52 HE ARG 52 -11.898 -15.519 3.971 338 HH11 ARG 52 1HH1 ARG 52 -14.455 -13.275 4.711 339 HH12 ARG 52 2HH1 ARG 52 -14.154 -13.292 6.417 340 HH21 ARG 52 1HH2 ARG 52 -11.491 -15.549 6.216 341 HH22 ARG 52 2HH2 ARG 52 -12.467 -14.585 7.272 342 H ALA 53 H ALA 53 -10.390 -10.686 -0.315 343 HA ALA 53 HA ALA 53 -9.362 -8.725 0.240 344 HB1 ALA 53 1HB ALA 53 -11.264 -9.022 2.558 345 HB2 ALA 53 2HB ALA 53 -10.378 -7.544 2.181 346 HB3 ALA 53 3HB ALA 53 -11.556 -8.183 1.034 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -6.823 -3.678 0.599 2 HA2 GLY 1 2HA GLY 1 -5.376 -3.431 2.368 3 HA3 GLY 1 3HA GLY 1 -4.164 -4.026 1.243 4 H SER 2 H SER 2 -3.718 -2.146 3.341 5 HA SER 2 HA SER 2 -3.004 0.233 1.753 6 HB2 SER 2 2HB SER 2 -4.204 -0.011 4.465 7 HB3 SER 2 3HB SER 2 -3.005 1.260 4.228 8 HG SER 2 HG SER 2 -5.434 1.565 3.706 9 H LYS 3 H LYS 3 -2.125 -1.568 4.701 10 HA LYS 3 HA LYS 3 0.664 -0.742 4.316 11 HB2 LYS 3 2HB LYS 3 -0.959 -0.964 6.601 12 HB3 LYS 3 3HB LYS 3 0.204 -2.278 6.716 13 HG2 LYS 3 2HG LYS 3 1.635 -0.811 7.556 14 HG3 LYS 3 3HG LYS 3 1.716 -0.077 5.953 15 HD2 LYS 3 2HD LYS 3 -0.369 0.661 7.996 16 HD3 LYS 3 3HD LYS 3 1.182 1.492 7.861 17 HE2 LYS 3 2HE LYS 3 -0.357 1.174 5.361 18 HE3 LYS 3 3HE LYS 3 -1.043 2.265 6.563 19 HZ1 LYS 3 1HZ LYS 3 0.765 3.011 4.767 20 HZ2 LYS 3 2HZ LYS 3 1.795 2.580 6.037 21 HZ3 LYS 3 3HZ LYS 3 0.602 3.754 6.278 22 H LYS 4 H LYS 4 2.282 -2.490 5.071 23 HA LYS 4 HA LYS 4 1.462 -5.144 4.115 24 HB2 LYS 4 2HB LYS 4 3.984 -3.690 3.293 25 HB3 LYS 4 3HB LYS 4 3.587 -5.353 2.878 26 HG2 LYS 4 2HG LYS 4 1.774 -4.666 1.507 27 HG3 LYS 4 3HG LYS 4 1.882 -3.004 2.092 28 HD2 LYS 4 2HD LYS 4 4.426 -3.721 1.071 29 HD3 LYS 4 3HD LYS 4 3.217 -4.213 -0.118 30 HE2 LYS 4 2HE LYS 4 2.234 -1.839 0.314 31 HE3 LYS 4 3HE LYS 4 3.844 -1.487 0.940 32 HZ1 LYS 4 1HZ LYS 4 4.669 -2.429 -1.255 33 HZ2 LYS 4 2HZ LYS 4 3.933 -0.907 -1.301 34 HZ3 LYS 4 3HZ LYS 4 3.076 -2.276 -1.803 35 HA PRO 5 HA PRO 5 3.654 -5.435 8.170 36 HB2 PRO 5 2HB PRO 5 1.990 -7.327 9.180 37 HB3 PRO 5 3HB PRO 5 1.649 -5.596 9.280 38 HG2 PRO 5 2HG PRO 5 0.593 -7.625 7.350 39 HG3 PRO 5 3HG PRO 5 -0.271 -6.324 8.190 40 HD2 PRO 5 2HD PRO 5 0.526 -6.115 5.610 41 HD3 PRO 5 3HD PRO 5 0.445 -4.717 6.701 42 H VAL 6 H VAL 6 2.597 -7.777 5.798 43 HA VAL 6 HA VAL 6 4.710 -9.625 6.698 44 HB VAL 6 HB VAL 6 1.984 -10.098 5.942 45 HG11 VAL 6 1HG1 VAL 6 2.302 -11.921 4.351 46 HG12 VAL 6 2HG1 VAL 6 2.860 -10.388 3.677 47 HG13 VAL 6 3HG1 VAL 6 4.028 -11.566 4.278 48 HG21 VAL 6 1HG2 VAL 6 2.259 -11.870 7.296 49 HG22 VAL 6 2HG2 VAL 6 3.727 -12.398 6.473 50 HG23 VAL 6 3HG2 VAL 6 3.807 -11.118 7.683 51 HA PRO 7 HA PRO 7 6.941 -8.967 2.972 52 HB2 PRO 7 2HB PRO 7 8.104 -11.399 2.650 53 HB3 PRO 7 3HB PRO 7 8.608 -10.251 3.896 54 HG2 PRO 7 2HG PRO 7 6.817 -12.638 4.133 55 HG3 PRO 7 3HG PRO 7 8.106 -12.094 5.222 56 HD2 PRO 7 2HD PRO 7 5.485 -11.634 5.722 57 HD3 PRO 7 3HD PRO 7 6.764 -10.509 6.222 58 H ILE 8 H ILE 8 5.415 -12.198 2.987 59 HA ILE 8 HA ILE 8 5.102 -12.205 0.137 60 HB ILE 8 HB ILE 8 3.912 -14.311 0.444 61 HG12 ILE 8 2HG1 ILE 8 4.147 -14.934 3.131 62 HG13 ILE 8 3HG1 ILE 8 3.593 -13.264 3.154 63 HG21 ILE 8 1HG2 ILE 8 6.013 -14.838 2.374 64 HG22 ILE 8 2HG2 ILE 8 5.846 -15.385 0.706 65 HG23 ILE 8 3HG2 ILE 8 6.561 -13.810 1.050 66 HD11 ILE 8 1HD1 ILE 8 1.534 -13.982 2.815 67 HD12 ILE 8 2HD1 ILE 8 2.030 -14.616 1.245 68 HD13 ILE 8 3HD1 ILE 8 2.109 -15.644 2.676 69 H ILE 9 H ILE 9 3.505 -11.335 -0.998 70 HA ILE 9 HA ILE 9 0.903 -10.908 0.309 71 HB ILE 9 HB ILE 9 0.697 -8.730 -0.399 72 HG12 ILE 9 2HG1 ILE 9 2.624 -7.946 -2.151 73 HG13 ILE 9 3HG1 ILE 9 2.417 -9.628 -2.625 74 HG21 ILE 9 1HG2 ILE 9 3.672 -8.634 -0.251 75 HG22 ILE 9 2HG2 ILE 9 2.472 -7.587 0.505 76 HG23 ILE 9 3HG2 ILE 9 2.756 -9.206 1.144 77 HD11 ILE 9 1HD1 ILE 9 0.085 -9.275 -3.048 78 HD12 ILE 9 2HD1 ILE 9 0.179 -7.632 -2.414 79 HD13 ILE 9 3HD1 ILE 9 1.019 -8.051 -3.907 80 H ALA 10 H ALA 10 -0.918 -10.953 -1.064 81 HA ALA 10 HA ALA 10 -0.411 -12.166 -3.704 82 HB1 ALA 10 1HB ALA 10 -2.654 -12.727 -1.769 83 HB2 ALA 10 2HB ALA 10 -2.563 -13.361 -3.413 84 HB3 ALA 10 3HB ALA 10 -1.343 -13.816 -2.223 85 H CYS 11 H CYS 11 -1.261 -11.178 -5.425 86 HA CYS 11 HA CYS 11 -2.906 -8.809 -4.987 87 HB2 CYS 11 2HB CYS 11 -1.607 -9.848 -7.515 88 HB3 CYS 11 3HB CYS 11 -2.428 -8.300 -7.344 89 H ASN 12 H ASN 12 -5.033 -8.817 -5.249 90 HA ASN 12 HA ASN 12 -6.379 -11.164 -6.226 91 HB2 ASN 12 2HB ASN 12 -8.353 -10.207 -5.407 92 HB3 ASN 12 3HB ASN 12 -7.121 -9.592 -4.309 93 HD21 ASN 12 1HD2 ASN 12 -6.033 -7.682 -6.136 94 HD22 ASN 12 2HD2 ASN 12 -7.187 -6.405 -6.284 95 H ARG 13 H ARG 13 -7.954 -11.169 -7.936 96 HA ARG 13 HA ARG 13 -7.092 -9.538 -10.195 97 HB2 ARG 13 2HB ARG 13 -8.996 -11.886 -10.105 98 HB3 ARG 13 3HB ARG 13 -8.394 -11.103 -11.560 99 HG2 ARG 13 2HG ARG 13 -6.137 -11.816 -11.048 100 HG3 ARG 13 3HG ARG 13 -6.689 -12.534 -9.533 101 HD2 ARG 13 2HD ARG 13 -7.982 -14.168 -10.691 102 HD3 ARG 13 3HD ARG 13 -7.731 -13.355 -12.235 103 HE ARG 13 HE ARG 13 -5.920 -15.152 -10.903 104 HH11 ARG 13 1HH1 ARG 13 -6.227 -12.584 -13.233 105 HH12 ARG 13 2HH1 ARG 13 -4.775 -13.004 -14.081 106 HH21 ARG 13 1HH2 ARG 13 -4.007 -15.715 -12.011 107 HH22 ARG 13 2HH2 ARG 13 -3.514 -14.785 -13.385 108 H ARG 14 H ARG 14 -8.078 -7.586 -9.309 109 HA ARG 14 HA ARG 14 -10.949 -7.462 -9.947 110 HB2 ARG 14 2HB ARG 14 -9.570 -6.731 -7.468 111 HB3 ARG 14 3HB ARG 14 -10.592 -5.449 -8.105 112 HG2 ARG 14 2HG ARG 14 -11.973 -7.966 -8.199 113 HG3 ARG 14 3HG ARG 14 -11.372 -7.646 -6.571 114 HD2 ARG 14 2HD ARG 14 -12.974 -5.696 -8.221 115 HD3 ARG 14 3HD ARG 14 -13.656 -6.761 -6.992 116 HE ARG 14 HE ARG 14 -11.582 -5.304 -5.822 117 HH11 ARG 14 1HH1 ARG 14 -14.735 -4.765 -7.195 118 HH12 ARG 14 2HH1 ARG 14 -15.073 -3.382 -6.208 119 HH21 ARG 14 1HH2 ARG 14 -12.014 -3.485 -4.516 120 HH22 ARG 14 2HH2 ARG 14 -13.524 -2.654 -4.685 121 H THR 15 H THR 15 -8.693 -4.942 -8.905 122 HA THR 15 HA THR 15 -8.877 -3.734 -11.583 123 HB THR 15 HB THR 15 -10.430 -2.522 -10.159 124 HG1 THR 15 HG1 THR 15 -9.420 -0.432 -10.367 125 HG21 THR 15 1HG2 THR 15 -8.669 -1.214 -8.350 126 HG22 THR 15 2HG2 THR 15 -8.444 -2.954 -8.170 127 HG23 THR 15 3HG2 THR 15 -10.049 -2.248 -7.983 128 H GLY 16 H GLY 16 -6.887 -5.004 -9.326 129 HA2 GLY 16 2HA GLY 16 -4.512 -5.038 -9.823 130 HA3 GLY 16 3HA GLY 16 -4.633 -3.335 -10.243 131 H LYS 17 H LYS 17 -5.486 -5.366 -7.435 132 HA LYS 17 HA LYS 17 -4.162 -3.361 -5.729 133 HB2 LYS 17 2HB LYS 17 -6.730 -4.805 -5.470 134 HB3 LYS 17 3HB LYS 17 -5.781 -4.664 -3.995 135 HG2 LYS 17 2HG LYS 17 -5.654 -2.180 -4.487 136 HG3 LYS 17 3HG LYS 17 -6.899 -2.465 -5.705 137 HD2 LYS 17 2HD LYS 17 -7.850 -3.760 -3.443 138 HD3 LYS 17 3HD LYS 17 -7.133 -2.272 -2.819 139 HE2 LYS 17 2HE LYS 17 -8.439 -1.177 -4.811 140 HE3 LYS 17 3HE LYS 17 -9.415 -2.641 -4.707 141 HZ1 LYS 17 1HZ LYS 17 -8.872 -1.186 -2.229 142 HZ2 LYS 17 2HZ LYS 17 -10.247 -2.057 -2.691 143 HZ3 LYS 17 3HZ LYS 17 -9.982 -0.505 -3.310 144 H CYS 18 H CYS 18 -2.792 -4.053 -4.115 145 HA CYS 18 HA CYS 18 -2.230 -6.942 -4.014 146 HB2 CYS 18 2HB CYS 18 -0.344 -4.648 -4.401 147 HB3 CYS 18 3HB CYS 18 0.211 -6.088 -3.554 148 H GLN 19 H GLN 19 -1.806 -7.803 -2.028 149 HA GLN 19 HA GLN 19 -1.138 -6.257 0.260 150 HB2 GLN 19 2HB GLN 19 -3.193 -6.466 1.520 151 HB3 GLN 19 3HB GLN 19 -3.514 -5.607 0.019 152 HG2 GLN 19 2HG GLN 19 -3.894 -8.505 -0.140 153 HG3 GLN 19 3HG GLN 19 -4.979 -7.681 0.978 154 HE21 GLN 19 1HE2 GLN 19 -3.714 -7.462 -2.321 155 HE22 GLN 19 2HE2 GLN 19 -5.172 -6.864 -3.027 156 H ARG 20 H ARG 20 -1.170 -7.594 2.270 157 HA ARG 20 HA ARG 20 -0.472 -10.353 1.585 158 HB2 ARG 20 2HB ARG 20 0.668 -10.407 3.751 159 HB3 ARG 20 3HB ARG 20 1.216 -9.045 2.782 160 HG2 ARG 20 2HG ARG 20 0.960 -8.016 4.793 161 HG3 ARG 20 3HG ARG 20 -0.656 -7.771 4.127 162 HD2 ARG 20 2HD ARG 20 -0.847 -10.236 5.333 163 HD3 ARG 20 3HD ARG 20 0.209 -9.343 6.426 164 HE ARG 20 HE ARG 20 -2.171 -7.921 5.632 165 HH11 ARG 20 1HH1 ARG 20 -0.745 -10.112 7.931 166 HH12 ARG 20 2HH1 ARG 20 -1.887 -9.748 9.182 167 HH21 ARG 20 1HH2 ARG 20 -3.680 -7.433 7.271 168 HH22 ARG 20 2HH2 ARG 20 -3.556 -8.225 8.805 169 H ALA 21 H ALA 21 -0.980 -12.013 3.314 170 HA ALA 21 HA ALA 21 -3.812 -11.755 4.009 171 HB1 ALA 21 1HB ALA 21 -2.886 -14.354 4.595 172 HB2 ALA 21 2HB ALA 21 -3.927 -13.841 3.266 173 HB3 ALA 21 3HB ALA 21 -2.178 -13.889 3.048 174 H1 GLY 33 H GLY 33 -8.855 -16.801 7.801 175 HA2 GLY 33 2HA GLY 33 -8.275 -14.254 6.544 176 HA3 GLY 33 3HA GLY 33 -9.721 -15.227 6.317 177 H SER 34 H SER 34 -9.332 -12.322 6.872 178 HA SER 34 HA SER 34 -10.654 -12.075 9.476 179 HB2 SER 34 2HB SER 34 -8.975 -10.492 9.471 180 HB3 SER 34 3HB SER 34 -9.096 -10.214 7.734 181 HG SER 34 HG SER 34 -10.289 -8.892 9.757 182 H LYS 35 H LYS 35 -10.981 -10.240 6.446 183 HA LYS 35 HA LYS 35 -13.868 -10.771 6.486 184 HB2 LYS 35 2HB LYS 35 -14.345 -8.417 5.999 185 HB3 LYS 35 3HB LYS 35 -13.535 -8.594 7.550 186 HG2 LYS 35 2HG LYS 35 -11.681 -7.500 6.864 187 HG3 LYS 35 3HG LYS 35 -11.801 -8.105 5.210 188 HD2 LYS 35 2HD LYS 35 -12.224 -5.782 5.088 189 HD3 LYS 35 3HD LYS 35 -13.796 -6.570 4.936 190 HE2 LYS 35 2HE LYS 35 -14.491 -5.884 7.014 191 HE3 LYS 35 3HE LYS 35 -12.848 -5.774 7.645 192 HZ1 LYS 35 1HZ LYS 35 -12.764 -3.636 7.120 193 HZ2 LYS 35 2HZ LYS 35 -14.410 -3.700 6.738 194 HZ3 LYS 35 3HZ LYS 35 -13.252 -3.927 5.526 195 H LYS 36 H LYS 36 -14.922 -10.514 4.448 196 HA LYS 36 HA LYS 36 -13.065 -10.702 2.168 197 HB2 LYS 36 2HB LYS 36 -14.998 -11.934 1.061 198 HB3 LYS 36 3HB LYS 36 -14.173 -12.778 2.365 199 HG2 LYS 36 2HG LYS 36 -15.968 -12.094 3.907 200 HG3 LYS 36 3HG LYS 36 -16.808 -11.332 2.554 201 HD2 LYS 36 2HD LYS 36 -16.063 -14.253 2.674 202 HD3 LYS 36 3HD LYS 36 -17.648 -13.609 3.110 203 HE2 LYS 36 2HE LYS 36 -17.423 -12.509 0.699 204 HE3 LYS 36 3HE LYS 36 -16.375 -13.904 0.445 205 HZ1 LYS 36 1HZ LYS 36 -18.377 -15.170 1.491 206 HZ2 LYS 36 2HZ LYS 36 -18.400 -14.748 -0.147 207 HZ3 LYS 36 3HZ LYS 36 -19.260 -13.821 0.977 208 HA PRO 37 HA PRO 37 -15.448 -6.798 1.522 209 HB2 PRO 37 2HB PRO 37 -13.338 -5.421 0.512 210 HB3 PRO 37 3HB PRO 37 -13.661 -5.548 2.245 211 HG2 PRO 37 2HG PRO 37 -11.729 -7.095 0.561 212 HG3 PRO 37 3HG PRO 37 -11.497 -6.395 2.174 213 HD2 PRO 37 2HD PRO 37 -12.017 -9.024 1.788 214 HD3 PRO 37 3HD PRO 37 -12.573 -8.142 3.225 215 H VAL 38 H VAL 38 -13.849 -9.083 -0.392 216 HA VAL 38 HA VAL 38 -15.306 -8.198 -2.749 217 HB VAL 38 HB VAL 38 -12.481 -7.787 -2.486 218 HG11 VAL 38 1HG1 VAL 38 -11.693 -8.892 -4.506 219 HG12 VAL 38 2HG1 VAL 38 -12.274 -10.079 -3.337 220 HG13 VAL 38 3HG1 VAL 38 -13.272 -9.647 -4.726 221 HG21 VAL 38 1HG2 VAL 38 -13.763 -7.378 -5.100 222 HG22 VAL 38 2HG2 VAL 38 -14.572 -6.604 -3.738 223 HG23 VAL 38 3HG2 VAL 38 -12.879 -6.244 -4.079 224 HA PRO 39 HA PRO 39 -15.892 -12.510 -3.340 225 HB2 PRO 39 2HB PRO 39 -16.215 -12.615 -6.033 226 HB3 PRO 39 3HB PRO 39 -17.439 -11.951 -4.944 227 HG2 PRO 39 2HG PRO 39 -15.398 -10.517 -6.599 228 HG3 PRO 39 3HG PRO 39 -17.108 -10.124 -6.344 229 HD2 PRO 39 2HD PRO 39 -15.111 -8.857 -5.026 230 HD3 PRO 39 3HD PRO 39 -16.707 -9.136 -4.301 231 H ILE 40 H ILE 40 -13.841 -11.207 -5.960 232 HA ILE 40 HA ILE 40 -12.399 -13.641 -6.280 233 HB ILE 40 HB ILE 40 -10.880 -12.317 -7.717 234 HG12 ILE 40 2HG1 ILE 40 -12.045 -9.899 -8.108 235 HG13 ILE 40 3HG1 ILE 40 -12.307 -10.099 -6.379 236 HG21 ILE 40 1HG2 ILE 40 -12.338 -12.617 -9.370 237 HG22 ILE 40 2HG2 ILE 40 -13.553 -12.958 -8.139 238 HG23 ILE 40 3HG2 ILE 40 -13.376 -11.322 -8.773 239 HD11 ILE 40 1HD1 ILE 40 -9.600 -10.766 -7.153 240 HD12 ILE 40 2HD1 ILE 40 -10.041 -9.116 -7.594 241 HD13 ILE 40 3HD1 ILE 40 -10.186 -9.650 -5.920 242 H ILE 41 H ILE 41 -10.685 -14.380 -5.211 243 HA ILE 41 HA ILE 41 -9.116 -12.488 -3.587 244 HB ILE 41 HB ILE 41 -9.357 -13.668 -1.701 245 HG12 ILE 41 2HG1 ILE 41 -9.683 -16.378 -2.182 246 HG13 ILE 41 3HG1 ILE 41 -8.611 -15.861 -3.479 247 HG21 ILE 41 1HG2 ILE 41 -11.515 -15.214 -3.115 248 HG22 ILE 41 2HG2 ILE 41 -11.449 -14.733 -1.420 249 HG23 ILE 41 3HG2 ILE 41 -11.685 -13.515 -2.673 250 HD11 ILE 41 1HD1 ILE 41 -8.127 -15.328 -0.559 251 HD12 ILE 41 2HD1 ILE 41 -7.430 -16.670 -1.468 252 HD13 ILE 41 3HD1 ILE 41 -7.026 -15.008 -1.899 253 H ALA 42 H ALA 42 -6.916 -13.141 -3.159 254 HA ALA 42 HA ALA 42 -5.864 -15.123 -5.065 255 HB1 ALA 42 1HB ALA 42 -5.008 -12.289 -4.656 256 HB2 ALA 42 2HB ALA 42 -3.841 -13.500 -5.189 257 HB3 ALA 42 3HB ALA 42 -5.278 -13.174 -6.158 258 H CYS 43 H CYS 43 -4.478 -16.551 -4.221 259 HA CYS 43 HA CYS 43 -3.679 -16.197 -1.428 260 HB2 CYS 43 2HB CYS 43 -3.508 -18.673 -3.158 261 HB3 CYS 43 3HB CYS 43 -3.249 -18.590 -1.418 262 H ASN 44 H ASN 44 -1.483 -17.641 -1.113 263 HA ASN 44 HA ASN 44 0.490 -16.673 -3.059 264 HB2 ASN 44 2HB ASN 44 1.797 -15.593 -1.498 265 HB3 ASN 44 3HB ASN 44 0.197 -15.277 -0.833 266 HD21 ASN 44 1HD2 ASN 44 -0.577 -17.054 0.694 267 HD22 ASN 44 2HD2 ASN 44 0.581 -17.610 1.850 268 H ARG 45 H ARG 45 2.721 -17.665 -2.508 269 HA ARG 45 HA ARG 45 2.284 -20.523 -1.969 270 HB2 ARG 45 2HB ARG 45 4.218 -19.037 -3.715 271 HB3 ARG 45 3HB ARG 45 4.608 -20.656 -3.150 272 HG2 ARG 45 2HG ARG 45 2.045 -20.936 -4.105 273 HG3 ARG 45 3HG ARG 45 2.779 -19.797 -5.236 274 HD2 ARG 45 2HD ARG 45 4.746 -21.443 -5.305 275 HD3 ARG 45 3HD ARG 45 3.637 -22.591 -4.556 276 HE ARG 45 HE ARG 45 2.316 -21.569 -6.752 277 HH11 ARG 45 1HH1 ARG 45 5.246 -23.347 -6.143 278 HH12 ARG 45 2HH1 ARG 45 5.223 -24.164 -7.670 279 HH21 ARG 45 1HH2 ARG 45 2.274 -22.638 -8.766 280 HH22 ARG 45 2HH2 ARG 45 3.532 -23.759 -9.162 281 H ARG 46 H ARG 46 2.408 -20.100 0.337 282 HA ARG 46 HA ARG 46 5.199 -19.969 1.249 283 HB2 ARG 46 2HB ARG 46 2.867 -18.352 2.168 284 HB3 ARG 46 3HB ARG 46 4.047 -18.862 3.368 285 HG2 ARG 46 2HG ARG 46 5.101 -17.622 0.899 286 HG3 ARG 46 3HG ARG 46 4.242 -16.572 2.028 287 HD2 ARG 46 2HD ARG 46 6.396 -18.433 2.968 288 HD3 ARG 46 3HD ARG 46 6.790 -16.852 2.295 289 HE ARG 46 HE ARG 46 4.835 -16.529 4.278 290 HH11 ARG 46 1HH1 ARG 46 8.186 -17.412 3.949 291 HH12 ARG 46 2HH1 ARG 46 8.628 -16.832 5.521 292 HH21 ARG 46 1HH2 ARG 46 5.405 -15.761 6.349 293 HH22 ARG 46 2HH2 ARG 46 7.045 -15.894 6.886 294 H THR 47 H THR 47 2.194 -20.248 3.092 295 HA THR 47 HA THR 47 2.886 -23.039 3.721 296 HB THR 47 HB THR 47 3.581 -21.549 5.588 297 HG1 THR 47 HG1 THR 47 3.042 -23.159 6.849 298 HG21 THR 47 1HG2 THR 47 2.260 -19.950 6.417 299 HG22 THR 47 2HG2 THR 47 0.915 -21.074 6.613 300 HG23 THR 47 3HG2 THR 47 1.167 -20.260 5.069 301 H GLY 48 H GLY 48 0.497 -20.645 3.053 302 HA2 GLY 48 2HA GLY 48 -1.503 -21.839 1.978 303 HA3 GLY 48 3HA GLY 48 -1.660 -22.588 3.560 304 H LYS 49 H LYS 49 -1.576 -19.427 1.951 305 HA LYS 49 HA LYS 49 -3.541 -18.482 3.930 306 HB2 LYS 49 2HB LYS 49 -1.009 -17.209 3.008 307 HB3 LYS 49 3HB LYS 49 -2.386 -16.163 3.325 308 HG2 LYS 49 2HG LYS 49 -2.536 -17.246 5.596 309 HG3 LYS 49 3HG LYS 49 -0.977 -17.995 5.245 310 HD2 LYS 49 2HD LYS 49 0.142 -16.091 5.622 311 HD3 LYS 49 3HD LYS 49 -1.026 -15.124 4.719 312 HE2 LYS 49 2HE LYS 49 -2.244 -14.624 6.568 313 HE3 LYS 49 3HE LYS 49 -1.911 -16.174 7.339 314 HZ1 LYS 49 1HZ LYS 49 -0.189 -13.770 7.246 315 HZ2 LYS 49 2HZ LYS 49 0.426 -15.293 7.649 316 HZ3 LYS 49 3HZ LYS 49 -0.777 -14.588 8.606 317 H CYS 50 H CYS 50 -5.037 -16.899 3.174 318 HA CYS 50 HA CYS 50 -5.124 -16.384 0.308 319 HB2 CYS 50 2HB CYS 50 -7.106 -18.064 1.800 320 HB3 CYS 50 3HB CYS 50 -7.654 -17.067 0.457 321 H GLN 51 H GLN 51 -6.035 -14.459 -0.187 322 HA GLN 51 HA GLN 51 -7.743 -13.107 1.738 323 HB2 GLN 51 2HB GLN 51 -6.388 -11.134 1.909 324 HB3 GLN 51 3HB GLN 51 -5.397 -12.515 2.358 325 HG2 GLN 51 2HG GLN 51 -5.246 -11.850 -0.476 326 HG3 GLN 51 3HG GLN 51 -4.701 -10.553 0.587 327 HE21 GLN 51 1HE2 GLN 51 -4.466 -14.092 0.712 328 HE22 GLN 51 2HE2 GLN 51 -2.750 -14.142 0.902 329 H ARG 52 H ARG 52 -8.668 -11.094 0.851 330 HA ARG 52 HA ARG 52 -8.708 -11.090 -2.093 331 HB2 ARG 52 2HB ARG 52 -11.174 -10.331 -1.745 332 HB3 ARG 52 3HB ARG 52 -10.774 -12.041 -1.644 333 HG2 ARG 52 2HG ARG 52 -10.655 -10.535 0.886 334 HG3 ARG 52 3HG ARG 52 -12.256 -10.748 0.175 335 HD2 ARG 52 2HD ARG 52 -12.322 -12.841 0.912 336 HD3 ARG 52 3HD ARG 52 -10.858 -13.220 0.006 337 HE ARG 52 HE ARG 52 -10.048 -11.928 2.316 338 HH11 ARG 52 1HH1 ARG 52 -11.734 -14.852 1.460 339 HH12 ARG 52 2HH1 ARG 52 -11.193 -15.727 2.854 340 HH21 ARG 52 1HH2 ARG 52 -9.329 -13.070 4.155 341 HH22 ARG 52 2HH2 ARG 52 -9.826 -14.712 4.387 342 H ALA 53 H ALA 53 -9.935 -8.989 -2.841 343 HA ALA 53 HA ALA 53 -8.350 -6.809 -2.388 344 HB1 ALA 53 1HB ALA 53 -11.084 -5.972 -2.847 345 HB2 ALA 53 2HB ALA 53 -9.671 -5.842 -3.896 346 HB3 ALA 53 3HB ALA 53 -10.625 -7.325 -3.881 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.614 -0.665 -4.417 2 HA2 GLY 1 2HA GLY 1 4.208 -2.124 -6.286 3 HA3 GLY 1 3HA GLY 1 3.484 -0.706 -7.030 4 H SER 2 H SER 2 4.425 -0.809 -3.662 5 HA SER 2 HA SER 2 6.470 1.221 -4.249 6 HB2 SER 2 2HB SER 2 4.434 0.973 -2.199 7 HB3 SER 2 3HB SER 2 6.032 1.188 -1.485 8 HG SER 2 HG SER 2 4.991 2.833 -3.547 9 H LYS 3 H LYS 3 5.925 -1.222 -1.707 10 HA LYS 3 HA LYS 3 8.666 -2.181 -2.116 11 HB2 LYS 3 2HB LYS 3 7.800 -0.634 0.108 12 HB3 LYS 3 3HB LYS 3 8.080 -2.274 0.678 13 HG2 LYS 3 2HG LYS 3 10.275 -1.761 -0.912 14 HG3 LYS 3 3HG LYS 3 9.977 -0.224 -0.097 15 HD2 LYS 3 2HD LYS 3 11.190 -1.145 1.561 16 HD3 LYS 3 3HD LYS 3 9.676 -1.960 1.962 17 HE2 LYS 3 2HE LYS 3 11.059 -3.409 -0.093 18 HE3 LYS 3 3HE LYS 3 12.138 -3.129 1.273 19 HZ1 LYS 3 1HZ LYS 3 9.671 -4.696 1.143 20 HZ2 LYS 3 2HZ LYS 3 10.027 -3.912 2.598 21 HZ3 LYS 3 3HZ LYS 3 11.120 -5.029 1.951 22 H LYS 4 H LYS 4 9.003 -4.345 -1.636 23 HA LYS 4 HA LYS 4 6.560 -5.893 -1.069 24 HB2 LYS 4 2HB LYS 4 8.978 -6.693 -2.699 25 HB3 LYS 4 3HB LYS 4 7.595 -7.726 -2.363 26 HG2 LYS 4 2HG LYS 4 6.143 -6.214 -3.593 27 HG3 LYS 4 3HG LYS 4 7.506 -5.135 -3.897 28 HD2 LYS 4 2HD LYS 4 8.638 -7.075 -5.041 29 HD3 LYS 4 3HD LYS 4 7.104 -7.940 -4.921 30 HE2 LYS 4 2HE LYS 4 7.275 -6.920 -7.098 31 HE3 LYS 4 3HE LYS 4 6.018 -6.104 -6.171 32 HZ1 LYS 4 1HZ LYS 4 8.794 -5.116 -6.544 33 HZ2 LYS 4 2HZ LYS 4 7.572 -4.328 -5.680 34 HZ3 LYS 4 3HZ LYS 4 7.427 -4.532 -7.353 35 HA PRO 5 HA PRO 5 9.425 -6.637 2.476 36 HB2 PRO 5 2HB PRO 5 7.455 -6.668 4.344 37 HB3 PRO 5 3HB PRO 5 8.231 -5.179 3.791 38 HG2 PRO 5 2HG PRO 5 5.613 -6.370 2.962 39 HG3 PRO 5 3HG PRO 5 6.011 -4.679 3.315 40 HD2 PRO 5 2HD PRO 5 5.827 -5.635 0.789 41 HD3 PRO 5 3HD PRO 5 6.949 -4.334 1.238 42 H VAL 6 H VAL 6 6.153 -8.020 2.114 43 HA VAL 6 HA VAL 6 7.189 -10.610 3.017 44 HB VAL 6 HB VAL 6 4.693 -9.252 3.371 45 HG11 VAL 6 1HG1 VAL 6 3.952 -10.465 1.381 46 HG12 VAL 6 2HG1 VAL 6 4.457 -11.987 2.118 47 HG13 VAL 6 3HG1 VAL 6 3.140 -11.055 2.831 48 HG21 VAL 6 1HG2 VAL 6 6.220 -11.478 4.505 49 HG22 VAL 6 2HG2 VAL 6 5.295 -10.209 5.310 50 HG23 VAL 6 3HG2 VAL 6 4.472 -11.636 4.680 51 HA PRO 7 HA PRO 7 7.099 -12.401 -0.992 52 HB2 PRO 7 2HB PRO 7 6.460 -14.969 -0.386 53 HB3 PRO 7 3HB PRO 7 8.045 -14.267 -0.041 54 HG2 PRO 7 2HG PRO 7 5.714 -14.674 1.793 55 HG3 PRO 7 3HG PRO 7 7.437 -14.964 2.093 56 HD2 PRO 7 2HD PRO 7 6.156 -12.750 2.981 57 HD3 PRO 7 3HD PRO 7 7.868 -12.738 2.510 58 H ILE 8 H ILE 8 4.402 -13.658 0.987 59 HA ILE 8 HA ILE 8 2.702 -14.022 -1.279 60 HB ILE 8 HB ILE 8 0.921 -14.446 0.407 61 HG12 ILE 8 2HG1 ILE 8 2.237 -14.734 2.790 62 HG13 ILE 8 3HG1 ILE 8 2.971 -13.265 2.158 63 HG21 ILE 8 1HG2 ILE 8 1.639 -16.564 0.714 64 HG22 ILE 8 2HG2 ILE 8 2.942 -16.043 -0.353 65 HG23 ILE 8 3HG2 ILE 8 3.185 -16.056 1.394 66 HD11 ILE 8 1HD1 ILE 8 0.185 -13.776 3.028 67 HD12 ILE 8 2HD1 ILE 8 1.221 -12.373 3.296 68 HD13 ILE 8 3HD1 ILE 8 0.453 -12.616 1.727 69 H ILE 9 H ILE 9 1.476 -12.571 -2.274 70 HA ILE 9 HA ILE 9 1.185 -9.915 -1.105 71 HB ILE 9 HB ILE 9 0.943 -9.092 -3.201 72 HG12 ILE 9 2HG1 ILE 9 -0.037 -10.778 -5.048 73 HG13 ILE 9 3HG1 ILE 9 -0.753 -11.497 -3.609 74 HG21 ILE 9 1HG2 ILE 9 2.354 -10.197 -4.759 75 HG22 ILE 9 2HG2 ILE 9 2.981 -10.561 -3.152 76 HG23 ILE 9 3HG2 ILE 9 2.040 -11.770 -4.025 77 HD11 ILE 9 1HD1 ILE 9 -2.172 -9.779 -3.298 78 HD12 ILE 9 2HD1 ILE 9 -1.017 -8.575 -3.872 79 HD13 ILE 9 3HD1 ILE 9 -1.916 -9.557 -5.028 80 H ALA 10 H ALA 10 -0.837 -8.843 -0.956 81 HA ALA 10 HA ALA 10 -3.197 -10.600 -0.989 82 HB1 ALA 10 1HB ALA 10 -2.117 -10.089 1.333 83 HB2 ALA 10 2HB ALA 10 -2.926 -8.533 1.146 84 HB3 ALA 10 3HB ALA 10 -3.869 -10.023 1.135 85 H CYS 11 H CYS 11 -4.856 -9.782 -2.086 86 HA CYS 11 HA CYS 11 -4.726 -6.986 -2.935 87 HB2 CYS 11 2HB CYS 11 -6.431 -9.286 -3.914 88 HB3 CYS 11 3HB CYS 11 -6.477 -7.653 -4.572 89 H ASN 12 H ASN 12 -6.110 -5.469 -2.251 90 HA ASN 12 HA ASN 12 -7.978 -6.142 -0.156 91 HB2 ASN 12 2HB ASN 12 -8.048 -3.874 0.334 92 HB3 ASN 12 3HB ASN 12 -6.435 -4.038 -0.356 93 HD21 ASN 12 1HD2 ASN 12 -7.339 -4.315 -3.067 94 HD22 ASN 12 2HD2 ASN 12 -7.882 -2.756 -3.576 95 H ARG 13 H ARG 13 -10.202 -5.198 -0.185 96 HA ARG 13 HA ARG 13 -11.473 -5.866 -2.723 97 HB2 ARG 13 2HB ARG 13 -13.586 -5.746 -1.368 98 HB3 ARG 13 3HB ARG 13 -12.432 -6.958 -0.828 99 HG2 ARG 13 2HG ARG 13 -12.332 -6.057 1.192 100 HG3 ARG 13 3HG ARG 13 -11.974 -4.463 0.523 101 HD2 ARG 13 2HD ARG 13 -14.095 -3.764 0.745 102 HD3 ARG 13 3HD ARG 13 -14.758 -5.302 0.194 103 HE ARG 13 HE ARG 13 -13.759 -5.746 2.733 104 HH11 ARG 13 1HH1 ARG 13 -16.191 -3.745 1.249 105 HH12 ARG 13 2HH1 ARG 13 -17.206 -3.711 2.654 106 HH21 ARG 13 1HH2 ARG 13 -15.086 -5.708 4.588 107 HH22 ARG 13 2HH2 ARG 13 -16.575 -4.827 4.552 108 H ARG 14 H ARG 14 -10.754 -3.914 -3.796 109 HA ARG 14 HA ARG 14 -12.502 -1.631 -3.173 110 HB2 ARG 14 2HB ARG 14 -9.551 -1.669 -3.617 111 HB3 ARG 14 3HB ARG 14 -10.468 -0.292 -4.214 112 HG2 ARG 14 2HG ARG 14 -10.672 -1.239 -1.374 113 HG3 ARG 14 3HG ARG 14 -9.447 -0.085 -1.905 114 HD2 ARG 14 2HD ARG 14 -11.200 1.420 -2.694 115 HD3 ARG 14 3HD ARG 14 -12.430 0.261 -2.190 116 HE ARG 14 HE ARG 14 -10.778 0.920 -0.001 117 HH11 ARG 14 1HH1 ARG 14 -13.280 2.259 -2.018 118 HH12 ARG 14 2HH1 ARG 14 -13.879 3.325 -0.791 119 HH21 ARG 14 1HH2 ARG 14 -11.559 2.320 1.623 120 HH22 ARG 14 2HH2 ARG 14 -12.899 3.360 1.279 121 H THR 15 H THR 15 -10.095 -2.187 -5.720 122 HA THR 15 HA THR 15 -12.222 -2.448 -7.705 123 HB THR 15 HB THR 15 -11.800 -0.050 -7.658 124 HG1 THR 15 HG1 THR 15 -10.505 -1.128 -9.950 125 HG21 THR 15 1HG2 THR 15 -9.776 0.852 -7.375 126 HG22 THR 15 2HG2 THR 15 -9.111 -0.066 -8.726 127 HG23 THR 15 3HG2 THR 15 -9.167 -0.782 -7.115 128 H GLY 16 H GLY 16 -9.655 -3.802 -6.447 129 HA2 GLY 16 2HA GLY 16 -8.717 -5.750 -7.520 130 HA3 GLY 16 3HA GLY 16 -8.739 -4.866 -9.039 131 H LYS 17 H LYS 17 -7.406 -4.374 -5.765 132 HA LYS 17 HA LYS 17 -4.875 -3.567 -7.040 133 HB2 LYS 17 2HB LYS 17 -6.396 -2.485 -4.748 134 HB3 LYS 17 3HB LYS 17 -4.655 -2.582 -4.525 135 HG2 LYS 17 2HG LYS 17 -4.380 -1.314 -6.650 136 HG3 LYS 17 3HG LYS 17 -6.132 -1.103 -6.689 137 HD2 LYS 17 2HD LYS 17 -5.379 0.860 -5.688 138 HD3 LYS 17 3HD LYS 17 -5.845 -0.142 -4.311 139 HE2 LYS 17 2HE LYS 17 -3.487 -0.826 -4.056 140 HE3 LYS 17 3HE LYS 17 -3.052 0.251 -5.382 141 HZ1 LYS 17 1HZ LYS 17 -4.373 1.159 -2.885 142 HZ2 LYS 17 2HZ LYS 17 -3.725 2.129 -4.109 143 HZ3 LYS 17 3HZ LYS 17 -2.700 1.202 -3.134 144 H CYS 18 H CYS 18 -2.963 -4.434 -6.318 145 HA CYS 18 HA CYS 18 -3.167 -6.546 -4.274 146 HB2 CYS 18 2HB CYS 18 -1.703 -6.600 -6.914 147 HB3 CYS 18 3HB CYS 18 -1.365 -7.739 -5.614 148 H GLN 19 H GLN 19 -1.288 -6.930 -3.018 149 HA GLN 19 HA GLN 19 1.110 -5.466 -3.288 150 HB2 GLN 19 2HB GLN 19 0.907 -3.878 -1.484 151 HB3 GLN 19 3HB GLN 19 -0.392 -3.598 -2.637 152 HG2 GLN 19 2HG GLN 19 -1.122 -5.439 -0.500 153 HG3 GLN 19 3HG GLN 19 -0.674 -3.834 0.074 154 HE21 GLN 19 1HE2 GLN 19 -2.694 -5.471 -2.324 155 HE22 GLN 19 2HE2 GLN 19 -3.979 -4.318 -2.288 156 H ARG 20 H ARG 20 1.880 -5.251 -0.622 157 HA ARG 20 HA ARG 20 2.260 -8.044 0.018 158 HB2 ARG 20 2HB ARG 20 3.904 -7.302 1.584 159 HB3 ARG 20 3HB ARG 20 4.093 -6.330 0.131 160 HG2 ARG 20 2HG ARG 20 4.208 -4.673 1.663 161 HG3 ARG 20 3HG ARG 20 2.455 -4.721 1.470 162 HD2 ARG 20 2HD ARG 20 2.121 -5.717 3.503 163 HD3 ARG 20 3HD ARG 20 3.696 -6.509 3.494 164 HE ARG 20 HE ARG 20 4.539 -4.712 4.613 165 HH11 ARG 20 1HH1 ARG 20 1.593 -3.749 3.029 166 HH12 ARG 20 2HH1 ARG 20 1.579 -2.165 3.731 167 HH21 ARG 20 1HH2 ARG 20 4.533 -2.630 5.544 168 HH22 ARG 20 2HH2 ARG 20 3.253 -1.529 5.160 169 H ALA 21 H ALA 21 1.499 -9.128 1.781 170 HA ALA 21 HA ALA 21 -0.960 -8.526 2.856 171 HB1 ALA 21 1HB ALA 21 0.016 -10.051 4.828 172 HB2 ALA 21 2HB ALA 21 -0.472 -10.698 3.261 173 HB3 ALA 21 3HB ALA 21 1.229 -10.371 3.588 174 H1 GLY 33 H GLY 33 -10.845 -20.640 4.945 175 HA2 GLY 33 2HA GLY 33 -11.468 -18.854 3.039 176 HA3 GLY 33 3HA GLY 33 -11.271 -20.322 2.093 177 H SER 34 H SER 34 -13.320 -18.534 4.172 178 HA SER 34 HA SER 34 -15.249 -20.754 4.269 179 HB2 SER 34 2HB SER 34 -14.560 -19.728 6.451 180 HB3 SER 34 3HB SER 34 -15.276 -18.210 5.909 181 HG SER 34 HG SER 34 -17.204 -19.746 5.536 182 H LYS 35 H LYS 35 -15.318 -17.192 4.058 183 HA LYS 35 HA LYS 35 -17.607 -17.435 2.225 184 HB2 LYS 35 2HB LYS 35 -16.859 -15.455 4.315 185 HB3 LYS 35 3HB LYS 35 -17.689 -14.845 2.889 186 HG2 LYS 35 2HG LYS 35 -18.994 -17.205 3.899 187 HG3 LYS 35 3HG LYS 35 -18.837 -15.976 5.157 188 HD2 LYS 35 2HD LYS 35 -20.816 -15.331 4.194 189 HD3 LYS 35 3HD LYS 35 -19.677 -14.381 3.238 190 HE2 LYS 35 2HE LYS 35 -20.357 -15.385 1.378 191 HE3 LYS 35 3HE LYS 35 -19.962 -16.964 2.055 192 HZ1 LYS 35 1HZ LYS 35 -22.528 -15.500 2.337 193 HZ2 LYS 35 2HZ LYS 35 -22.158 -16.932 3.157 194 HZ3 LYS 35 3HZ LYS 35 -22.262 -16.928 1.469 195 H LYS 36 H LYS 36 -17.653 -16.259 0.309 196 HA LYS 36 HA LYS 36 -15.075 -15.090 -0.513 197 HB2 LYS 36 2HB LYS 36 -17.017 -16.401 -2.405 198 HB3 LYS 36 3HB LYS 36 -15.330 -15.989 -2.688 199 HG2 LYS 36 2HG LYS 36 -16.314 -18.114 -0.794 200 HG3 LYS 36 3HG LYS 36 -15.659 -18.395 -2.409 201 HD2 LYS 36 2HD LYS 36 -13.510 -17.605 -1.763 202 HD3 LYS 36 3HD LYS 36 -14.128 -16.986 -0.230 203 HE2 LYS 36 2HE LYS 36 -13.934 -18.977 0.767 204 HE3 LYS 36 3HE LYS 36 -14.660 -19.823 -0.599 205 HZ1 LYS 36 1HZ LYS 36 -12.609 -20.033 -1.652 206 HZ2 LYS 36 2HZ LYS 36 -12.256 -20.355 -0.030 207 HZ3 LYS 36 3HZ LYS 36 -11.872 -18.848 -0.695 208 HA PRO 37 HA PRO 37 -18.291 -11.787 -0.809 209 HB2 PRO 37 2HB PRO 37 -16.659 -9.814 0.094 210 HB3 PRO 37 3HB PRO 37 -17.580 -10.868 1.173 211 HG2 PRO 37 2HG PRO 37 -14.701 -11.032 0.369 212 HG3 PRO 37 3HG PRO 37 -15.430 -11.252 1.971 213 HD2 PRO 37 2HD PRO 37 -14.696 -13.336 0.405 214 HD3 PRO 37 3HD PRO 37 -16.077 -13.417 1.518 215 H VAL 38 H VAL 38 -14.816 -11.396 -1.532 216 HA VAL 38 HA VAL 38 -15.573 -10.013 -4.021 217 HB VAL 38 HB VAL 38 -12.856 -9.583 -3.664 218 HG11 VAL 38 1HG1 VAL 38 -14.923 -8.088 -4.307 219 HG12 VAL 38 2HG1 VAL 38 -14.815 -7.601 -2.614 220 HG13 VAL 38 3HG1 VAL 38 -13.437 -7.367 -3.690 221 HG21 VAL 38 1HG2 VAL 38 -14.230 -9.142 -1.017 222 HG22 VAL 38 2HG2 VAL 38 -13.132 -10.483 -1.349 223 HG23 VAL 38 3HG2 VAL 38 -12.541 -8.822 -1.415 224 HA PRO 39 HA PRO 39 -13.761 -13.137 -6.512 225 HB2 PRO 39 2HB PRO 39 -12.548 -11.696 -8.467 226 HB3 PRO 39 3HB PRO 39 -14.304 -11.859 -8.343 227 HG2 PRO 39 2HG PRO 39 -12.544 -9.606 -7.455 228 HG3 PRO 39 3HG PRO 39 -14.107 -9.543 -8.289 229 HD2 PRO 39 2HD PRO 39 -13.861 -9.138 -5.623 230 HD3 PRO 39 3HD PRO 39 -15.300 -9.885 -6.346 231 H ILE 40 H ILE 40 -11.483 -10.430 -6.040 232 HA ILE 40 HA ILE 40 -9.178 -12.095 -6.342 233 HB ILE 40 HB ILE 40 -7.909 -10.113 -5.560 234 HG12 ILE 40 2HG1 ILE 40 -9.481 -7.983 -5.493 235 HG13 ILE 40 3HG1 ILE 40 -10.679 -9.161 -4.968 236 HG21 ILE 40 1HG2 ILE 40 -9.191 -10.500 -7.941 237 HG22 ILE 40 2HG2 ILE 40 -9.699 -8.869 -7.506 238 HG23 ILE 40 3HG2 ILE 40 -7.983 -9.254 -7.626 239 HD11 ILE 40 1HD1 ILE 40 -9.889 -9.037 -2.912 240 HD12 ILE 40 2HD1 ILE 40 -8.313 -9.595 -3.474 241 HD13 ILE 40 3HD1 ILE 40 -8.679 -7.871 -3.444 242 H ILE 41 H ILE 41 -7.758 -12.838 -4.783 243 HA ILE 41 HA ILE 41 -8.876 -12.993 -2.071 244 HB ILE 41 HB ILE 41 -8.007 -15.072 -1.835 245 HG12 ILE 41 2HG1 ILE 41 -5.908 -15.676 -3.401 246 HG13 ILE 41 3HG1 ILE 41 -5.699 -13.931 -3.317 247 HG21 ILE 41 1HG2 ILE 41 -9.293 -14.829 -4.090 248 HG22 ILE 41 2HG2 ILE 41 -7.719 -15.178 -4.804 249 HG23 ILE 41 3HG2 ILE 41 -8.465 -16.338 -3.705 250 HD11 ILE 41 1HD1 ILE 41 -5.275 -13.960 -1.058 251 HD12 ILE 41 2HD1 ILE 41 -6.108 -15.496 -0.814 252 HD13 ILE 41 3HD1 ILE 41 -4.526 -15.464 -1.592 253 H ALA 42 H ALA 42 -7.623 -12.552 -0.261 254 HA ALA 42 HA ALA 42 -5.058 -11.197 -0.783 255 HB1 ALA 42 1HB ALA 42 -5.793 -9.335 0.175 256 HB2 ALA 42 2HB ALA 42 -7.402 -10.054 0.244 257 HB3 ALA 42 3HB ALA 42 -6.302 -10.223 1.612 258 H CYS 43 H CYS 43 -3.368 -11.982 0.294 259 HA CYS 43 HA CYS 43 -3.828 -14.014 2.336 260 HB2 CYS 43 2HB CYS 43 -1.289 -13.157 0.930 261 HB3 CYS 43 3HB CYS 43 -1.412 -14.489 2.076 262 H ASN 44 H ASN 44 -1.952 -14.001 4.074 263 HA ASN 44 HA ASN 44 -1.574 -11.277 5.096 264 HB2 ASN 44 2HB ASN 44 -2.573 -11.668 7.124 265 HB3 ASN 44 3HB ASN 44 -3.567 -12.713 6.114 266 HD21 ASN 44 1HD2 ASN 44 -1.825 -14.821 5.721 267 HD22 ASN 44 2HD2 ASN 44 -1.565 -15.626 7.228 268 H ARG 45 H ARG 45 0.068 -11.159 6.819 269 HA ARG 45 HA ARG 45 2.277 -12.955 6.199 270 HB2 ARG 45 2HB ARG 45 3.608 -11.314 7.566 271 HB3 ARG 45 3HB ARG 45 2.849 -10.642 6.129 272 HG2 ARG 45 2HG ARG 45 1.718 -9.159 7.329 273 HG3 ARG 45 3HG ARG 45 1.115 -10.408 8.421 274 HD2 ARG 45 2HD ARG 45 3.346 -10.333 9.573 275 HD3 ARG 45 3HD ARG 45 3.728 -8.920 8.589 276 HE ARG 45 HE ARG 45 2.071 -8.993 10.904 277 HH11 ARG 45 1HH1 ARG 45 2.512 -7.413 7.833 278 HH12 ARG 45 2HH1 ARG 45 1.735 -5.946 8.329 279 HH21 ARG 45 1HH2 ARG 45 1.045 -7.067 11.568 280 HH22 ARG 45 2HH2 ARG 45 0.901 -5.750 10.454 281 H ARG 46 H ARG 46 1.325 -14.785 7.319 282 HA ARG 46 HA ARG 46 1.856 -14.670 10.210 283 HB2 ARG 46 2HB ARG 46 -0.331 -15.008 10.564 284 HB3 ARG 46 3HB ARG 46 -0.630 -15.325 8.861 285 HG2 ARG 46 2HG ARG 46 -1.285 -17.251 10.088 286 HG3 ARG 46 3HG ARG 46 0.200 -17.648 9.222 287 HD2 ARG 46 2HD ARG 46 1.094 -18.284 11.153 288 HD3 ARG 46 3HD ARG 46 1.006 -16.609 11.697 289 HE ARG 46 HE ARG 46 -1.447 -18.070 12.037 290 HH11 ARG 46 1HH1 ARG 46 1.636 -17.276 13.445 291 HH12 ARG 46 2HH1 ARG 46 1.117 -17.573 15.071 292 HH21 ARG 46 1HH2 ARG 46 -2.143 -18.464 14.173 293 HH22 ARG 46 2HH2 ARG 46 -1.032 -18.250 15.484 294 H THR 47 H THR 47 1.517 -16.733 7.349 295 HA THR 47 HA THR 47 3.898 -18.145 7.818 296 HB THR 47 HB THR 47 2.520 -19.102 9.692 297 HG1 THR 47 HG1 THR 47 3.282 -21.168 9.284 298 HG21 THR 47 1HG2 THR 47 1.069 -20.858 7.823 299 HG22 THR 47 2HG2 THR 47 0.492 -19.193 7.895 300 HG23 THR 47 3HG2 THR 47 0.556 -20.169 9.363 301 H GLY 48 H GLY 48 0.841 -17.782 6.255 302 HA2 GLY 48 2HA GLY 48 1.348 -17.929 3.712 303 HA3 GLY 48 3HA GLY 48 1.629 -19.619 4.102 304 H LYS 49 H LYS 49 -0.846 -17.108 4.634 305 HA LYS 49 HA LYS 49 -2.889 -19.166 4.102 306 HB2 LYS 49 2HB LYS 49 -2.806 -16.884 6.034 307 HB3 LYS 49 3HB LYS 49 -4.360 -17.394 5.387 308 HG2 LYS 49 2HG LYS 49 -3.762 -19.729 6.156 309 HG3 LYS 49 3HG LYS 49 -2.426 -18.987 7.041 310 HD2 LYS 49 2HD LYS 49 -4.626 -17.434 7.705 311 HD3 LYS 49 3HD LYS 49 -5.255 -19.083 7.682 312 HE2 LYS 49 2HE LYS 49 -3.865 -19.778 9.385 313 HE3 LYS 49 3HE LYS 49 -2.669 -18.523 9.062 314 HZ1 LYS 49 1HZ LYS 49 -5.357 -17.829 10.064 315 HZ2 LYS 49 2HZ LYS 49 -3.926 -16.933 10.159 316 HZ3 LYS 49 3HZ LYS 49 -4.132 -18.303 11.131 317 H CYS 50 H CYS 50 -4.760 -18.528 2.922 318 HA CYS 50 HA CYS 50 -4.725 -15.950 1.582 319 HB2 CYS 50 2HB CYS 50 -4.345 -18.574 0.155 320 HB3 CYS 50 3HB CYS 50 -5.036 -17.175 -0.661 321 H GLN 51 H GLN 51 -6.729 -15.254 1.003 322 HA GLN 51 HA GLN 51 -8.950 -17.012 0.643 323 HB2 GLN 51 2HB GLN 51 -10.270 -16.173 2.579 324 HB3 GLN 51 3HB GLN 51 -8.892 -17.160 3.046 325 HG2 GLN 51 2HG GLN 51 -8.346 -14.285 2.910 326 HG3 GLN 51 3HG GLN 51 -9.524 -14.761 4.132 327 HE21 GLN 51 1HE2 GLN 51 -6.245 -15.223 2.989 328 HE22 GLN 51 2HE2 GLN 51 -5.602 -15.802 4.484 329 H ARG 52 H ARG 52 -11.081 -15.531 0.825 330 HA ARG 52 HA ARG 52 -10.591 -13.373 -1.045 331 HB2 ARG 52 2HB ARG 52 -13.168 -14.489 0.075 332 HB3 ARG 52 3HB ARG 52 -13.064 -13.260 -1.179 333 HG2 ARG 52 2HG ARG 52 -12.120 -16.112 -1.358 334 HG3 ARG 52 3HG ARG 52 -13.496 -15.388 -2.192 335 HD2 ARG 52 2HD ARG 52 -11.928 -13.860 -3.352 336 HD3 ARG 52 3HD ARG 52 -10.585 -14.705 -2.582 337 HE ARG 52 HE ARG 52 -10.789 -16.330 -4.164 338 HH11 ARG 52 1HH1 ARG 52 -13.807 -14.607 -3.957 339 HH12 ARG 52 2HH1 ARG 52 -14.534 -15.460 -5.279 340 HH21 ARG 52 1HH2 ARG 52 -11.735 -17.459 -5.905 341 HH22 ARG 52 2HH2 ARG 52 -13.355 -17.083 -6.385 342 H ALA 53 H ALA 53 -10.714 -11.242 -0.631 343 HA ALA 53 HA ALA 53 -10.880 -9.279 0.509 344 HB1 ALA 53 1HB ALA 53 -12.580 -9.580 2.606 345 HB2 ALA 53 2HB ALA 53 -13.080 -9.232 0.950 346 HB3 ALA 53 3HB ALA 53 -13.099 -10.891 1.546 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.674 -1.730 -5.807 2 HA2 GLY 1 2HA GLY 1 3.233 -0.407 -3.888 3 HA3 GLY 1 3HA GLY 1 3.900 -1.893 -3.228 4 H SER 2 H SER 2 4.113 0.277 -1.692 5 HA SER 2 HA SER 2 6.691 1.544 -2.156 6 HB2 SER 2 2HB SER 2 5.367 3.183 -1.278 7 HB3 SER 2 3HB SER 2 4.360 2.040 -0.389 8 HG SER 2 HG SER 2 5.651 2.190 1.286 9 H LYS 3 H LYS 3 5.143 -0.343 0.441 10 HA LYS 3 HA LYS 3 7.827 -1.270 1.231 11 HB2 LYS 3 2HB LYS 3 6.919 -1.475 3.547 12 HB3 LYS 3 3HB LYS 3 7.006 0.181 2.961 13 HG2 LYS 3 2HG LYS 3 4.876 0.435 3.495 14 HG3 LYS 3 3HG LYS 3 4.455 -0.760 2.266 15 HD2 LYS 3 2HD LYS 3 4.160 -2.419 3.788 16 HD3 LYS 3 3HD LYS 3 5.420 -1.806 4.861 17 HE2 LYS 3 2HE LYS 3 3.133 -1.646 5.814 18 HE3 LYS 3 3HE LYS 3 3.959 -0.093 5.692 19 HZ1 LYS 3 1HZ LYS 3 2.406 0.682 4.326 20 HZ2 LYS 3 2HZ LYS 3 1.470 -0.663 4.743 21 HZ3 LYS 3 3HZ LYS 3 2.432 -0.702 3.352 22 H LYS 4 H LYS 4 8.136 -3.412 1.325 23 HA LYS 4 HA LYS 4 5.768 -5.149 1.060 24 HB2 LYS 4 2HB LYS 4 8.553 -5.703 0.023 25 HB3 LYS 4 3HB LYS 4 7.119 -6.689 -0.236 26 HG2 LYS 4 2HG LYS 4 6.704 -5.563 -2.091 27 HG3 LYS 4 3HG LYS 4 6.505 -4.089 -1.141 28 HD2 LYS 4 2HD LYS 4 8.852 -3.587 -1.340 29 HD3 LYS 4 3HD LYS 4 9.155 -5.131 -2.139 30 HE2 LYS 4 2HE LYS 4 8.275 -4.431 -4.123 31 HE3 LYS 4 3HE LYS 4 7.136 -3.326 -3.354 32 HZ1 LYS 4 1HZ LYS 4 8.798 -2.073 -4.509 33 HZ2 LYS 4 2HZ LYS 4 10.050 -2.893 -3.721 34 HZ3 LYS 4 3HZ LYS 4 9.034 -1.861 -2.847 35 HA PRO 5 HA PRO 5 7.793 -6.227 5.068 36 HB2 PRO 5 2HB PRO 5 5.455 -6.631 6.388 37 HB3 PRO 5 3HB PRO 5 6.204 -5.038 6.226 38 HG2 PRO 5 2HG PRO 5 3.963 -6.246 4.651 39 HG3 PRO 5 3HG PRO 5 4.117 -4.602 5.296 40 HD2 PRO 5 2HD PRO 5 4.607 -5.201 2.701 41 HD3 PRO 5 3HD PRO 5 5.475 -3.915 3.565 42 H VAL 6 H VAL 6 4.822 -7.727 3.773 43 HA VAL 6 HA VAL 6 5.972 -10.363 4.413 44 HB VAL 6 HB VAL 6 3.365 -9.276 4.867 45 HG11 VAL 6 1HG1 VAL 6 3.394 -11.733 3.117 46 HG12 VAL 6 2HG1 VAL 6 1.979 -11.045 3.916 47 HG13 VAL 6 3HG1 VAL 6 2.804 -10.139 2.648 48 HG21 VAL 6 1HG2 VAL 6 3.939 -10.542 6.623 49 HG22 VAL 6 2HG2 VAL 6 3.284 -11.885 5.686 50 HG23 VAL 6 3HG2 VAL 6 5.016 -11.555 5.662 51 HA PRO 7 HA PRO 7 6.200 -11.407 0.153 52 HB2 PRO 7 2HB PRO 7 5.738 -14.080 0.259 53 HB3 PRO 7 3HB PRO 7 7.245 -13.343 0.814 54 HG2 PRO 7 2HG PRO 7 4.874 -14.234 2.408 55 HG3 PRO 7 3HG PRO 7 6.599 -14.453 2.752 56 HD2 PRO 7 2HD PRO 7 5.110 -12.530 3.941 57 HD3 PRO 7 3HD PRO 7 6.835 -12.315 3.580 58 H ILE 8 H ILE 8 3.534 -13.214 1.701 59 HA ILE 8 HA ILE 8 1.970 -13.293 -0.676 60 HB ILE 8 HB ILE 8 0.144 -14.095 0.811 61 HG12 ILE 8 2HG1 ILE 8 1.324 -14.669 3.201 62 HG13 ILE 8 3HG1 ILE 8 2.021 -13.091 2.851 63 HG21 ILE 8 1HG2 ILE 8 2.509 -15.357 0.087 64 HG22 ILE 8 2HG2 ILE 8 2.275 -15.792 1.779 65 HG23 ILE 8 3HG2 ILE 8 1.011 -16.134 0.599 66 HD11 ILE 8 1HD1 ILE 8 -0.804 -13.841 3.388 67 HD12 ILE 8 2HD1 ILE 8 0.152 -12.500 4.021 68 HD13 ILE 8 3HD1 ILE 8 -0.464 -12.441 2.370 69 H ILE 9 H ILE 9 0.631 -11.822 -1.489 70 HA ILE 9 HA ILE 9 0.078 -9.415 0.080 71 HB ILE 9 HB ILE 9 -0.096 -8.241 -1.859 72 HG12 ILE 9 2HG1 ILE 9 -0.673 -9.671 -4.064 73 HG13 ILE 9 3HG1 ILE 9 -1.446 -10.690 -2.855 74 HG21 ILE 9 1HG2 ILE 9 2.052 -9.725 -1.786 75 HG22 ILE 9 2HG2 ILE 9 1.332 -10.487 -3.203 76 HG23 ILE 9 3HG2 ILE 9 1.688 -8.760 -3.217 77 HD11 ILE 9 1HD1 ILE 9 -2.980 -9.069 -2.283 78 HD12 ILE 9 2HD1 ILE 9 -1.977 -7.755 -2.900 79 HD13 ILE 9 3HD1 ILE 9 -2.807 -8.834 -4.022 80 H ALA 10 H ALA 10 -1.996 -8.610 0.397 81 HA ALA 10 HA ALA 10 -4.192 -10.488 -0.187 82 HB1 ALA 10 1HB ALA 10 -3.249 -9.621 2.335 83 HB2 ALA 10 2HB ALA 10 -4.834 -8.891 2.079 84 HB3 ALA 10 3HB ALA 10 -4.643 -10.641 1.978 85 H CYS 11 H CYS 11 -5.830 -9.676 -1.319 86 HA CYS 11 HA CYS 11 -5.879 -6.807 -1.853 87 HB2 CYS 11 2HB CYS 11 -7.400 -9.091 -3.129 88 HB3 CYS 11 3HB CYS 11 -7.492 -7.408 -3.639 89 H ASN 12 H ASN 12 -8.282 -6.012 -2.267 90 HA ASN 12 HA ASN 12 -10.004 -6.898 -0.064 91 HB2 ASN 12 2HB ASN 12 -10.157 -4.841 0.939 92 HB3 ASN 12 3HB ASN 12 -8.506 -4.734 0.335 93 HD21 ASN 12 1HD2 ASN 12 -9.008 -4.306 -2.356 94 HD22 ASN 12 2HD2 ASN 12 -9.742 -2.753 -2.547 95 H ARG 13 H ARG 13 -12.239 -6.103 -0.266 96 HA ARG 13 HA ARG 13 -13.052 -6.138 -3.064 97 HB2 ARG 13 2HB ARG 13 -15.353 -6.423 -2.088 98 HB3 ARG 13 3HB ARG 13 -14.214 -7.702 -1.689 99 HG2 ARG 13 2HG ARG 13 -14.576 -7.381 0.467 100 HG3 ARG 13 3HG ARG 13 -14.062 -5.699 0.324 101 HD2 ARG 13 2HD ARG 13 -16.190 -4.916 0.199 102 HD3 ARG 13 3HD ARG 13 -16.784 -6.352 -0.634 103 HE ARG 13 HE ARG 13 -17.286 -7.291 1.400 104 HH11 ARG 13 1HH1 ARG 13 -15.265 -4.496 1.876 105 HH12 ARG 13 2HH1 ARG 13 -15.468 -4.481 3.597 106 HH21 ARG 13 1HH2 ARG 13 -17.561 -7.281 3.664 107 HH22 ARG 13 2HH2 ARG 13 -16.773 -6.066 4.613 108 H ARG 14 H ARG 14 -12.308 -3.952 -3.480 109 HA ARG 14 HA ARG 14 -14.297 -1.959 -2.628 110 HB2 ARG 14 2HB ARG 14 -12.664 -0.888 -1.528 111 HB3 ARG 14 3HB ARG 14 -11.422 -1.921 -2.224 112 HG2 ARG 14 2HG ARG 14 -10.939 0.325 -2.837 113 HG3 ARG 14 3HG ARG 14 -11.507 -0.516 -4.281 114 HD2 ARG 14 2HD ARG 14 -12.987 1.123 -4.545 115 HD3 ARG 14 3HD ARG 14 -13.809 0.516 -3.108 116 HE ARG 14 HE ARG 14 -11.667 2.247 -2.413 117 HH11 ARG 14 1HH1 ARG 14 -14.932 2.223 -3.621 118 HH12 ARG 14 2HH1 ARG 14 -15.308 3.800 -3.010 119 HH21 ARG 14 1HH2 ARG 14 -12.149 4.324 -1.605 120 HH22 ARG 14 2HH2 ARG 14 -13.724 4.995 -1.865 121 H THR 15 H THR 15 -11.837 -2.833 -5.024 122 HA THR 15 HA THR 15 -13.492 -2.312 -7.232 123 HB THR 15 HB THR 15 -13.107 0.058 -6.482 124 HG1 THR 15 HG1 THR 15 -12.268 0.629 -8.731 125 HG21 THR 15 1HG2 THR 15 -10.412 0.074 -7.668 126 HG22 THR 15 2HG2 THR 15 -10.531 -0.696 -6.086 127 HG23 THR 15 3HG2 THR 15 -11.052 0.976 -6.295 128 H GLY 16 H GLY 16 -10.369 -2.829 -5.837 129 HA2 GLY 16 2HA GLY 16 -9.371 -4.834 -7.176 130 HA3 GLY 16 3HA GLY 16 -9.239 -3.610 -8.431 131 H LYS 17 H LYS 17 -8.403 -4.082 -4.999 132 HA LYS 17 HA LYS 17 -5.857 -2.700 -5.543 133 HB2 LYS 17 2HB LYS 17 -7.702 -2.611 -3.192 134 HB3 LYS 17 3HB LYS 17 -5.978 -2.384 -2.929 135 HG2 LYS 17 2HG LYS 17 -6.084 -0.572 -4.691 136 HG3 LYS 17 3HG LYS 17 -7.840 -0.699 -4.574 137 HD2 LYS 17 2HD LYS 17 -7.894 0.418 -2.634 138 HD3 LYS 17 3HD LYS 17 -6.529 -0.488 -1.977 139 HE2 LYS 17 2HE LYS 17 -6.103 1.617 -4.064 140 HE3 LYS 17 3HE LYS 17 -6.290 2.062 -2.368 141 HZ1 LYS 17 1HZ LYS 17 -4.042 0.905 -3.705 142 HZ2 LYS 17 2HZ LYS 17 -4.476 0.029 -2.325 143 HZ3 LYS 17 3HZ LYS 17 -4.120 1.678 -2.202 144 H CYS 18 H CYS 18 -3.981 -3.478 -4.462 145 HA CYS 18 HA CYS 18 -4.144 -6.028 -3.082 146 HB2 CYS 18 2HB CYS 18 -2.851 -5.679 -5.777 147 HB3 CYS 18 3HB CYS 18 -2.313 -6.929 -4.661 148 H GLN 19 H GLN 19 -2.490 -6.347 -1.668 149 HA GLN 19 HA GLN 19 0.018 -4.998 -1.866 150 HB2 GLN 19 2HB GLN 19 -0.228 -3.650 0.204 151 HB3 GLN 19 3HB GLN 19 -1.254 -3.092 -1.110 152 HG2 GLN 19 2HG GLN 19 -2.522 -5.033 0.677 153 HG3 GLN 19 3HG GLN 19 -2.073 -3.509 1.442 154 HE21 GLN 19 1HE2 GLN 19 -3.903 -4.953 -1.181 155 HE22 GLN 19 2HE2 GLN 19 -5.018 -3.648 -1.372 156 H ARG 20 H ARG 20 1.140 -5.175 0.457 157 HA ARG 20 HA ARG 20 1.047 -7.995 1.082 158 HB2 ARG 20 2HB ARG 20 2.778 -5.840 2.305 159 HB3 ARG 20 3HB ARG 20 3.030 -7.577 2.409 160 HG2 ARG 20 2HG ARG 20 3.257 -5.845 -0.039 161 HG3 ARG 20 3HG ARG 20 4.555 -6.692 0.805 162 HD2 ARG 20 2HD ARG 20 2.983 -8.778 0.276 163 HD3 ARG 20 3HD ARG 20 2.492 -7.730 -1.054 164 HE ARG 20 HE ARG 20 5.011 -9.080 -0.749 165 HH11 ARG 20 1HH1 ARG 20 3.364 -6.390 -2.222 166 HH12 ARG 20 2HH1 ARG 20 4.504 -6.233 -3.517 167 HH21 ARG 20 1HH2 ARG 20 6.519 -8.883 -2.449 168 HH22 ARG 20 2HH2 ARG 20 6.298 -7.652 -3.646 169 H ALA 21 H ALA 21 0.211 -8.927 2.858 170 HA ALA 21 HA ALA 21 -1.750 -7.751 4.385 171 HB1 ALA 21 1HB ALA 21 0.004 -10.129 4.893 172 HB2 ALA 21 2HB ALA 21 -1.235 -9.635 6.048 173 HB3 ALA 21 3HB ALA 21 -1.690 -10.084 4.404 174 H1 GLY 33 H GLY 33 -10.679 -22.696 2.835 175 HA2 GLY 33 2HA GLY 33 -11.817 -20.584 3.936 176 HA3 GLY 33 3HA GLY 33 -11.817 -20.067 2.256 177 H SER 34 H SER 34 -14.203 -20.174 3.402 178 HA SER 34 HA SER 34 -15.384 -22.743 2.582 179 HB2 SER 34 2HB SER 34 -16.153 -20.713 4.647 180 HB3 SER 34 3HB SER 34 -17.402 -21.732 3.930 181 HG SER 34 HG SER 34 -16.720 -23.317 5.115 182 H LYS 35 H LYS 35 -16.531 -19.376 2.824 183 HA LYS 35 HA LYS 35 -18.039 -19.742 0.355 184 HB2 LYS 35 2HB LYS 35 -18.033 -17.630 2.500 185 HB3 LYS 35 3HB LYS 35 -18.861 -17.380 0.969 186 HG2 LYS 35 2HG LYS 35 -20.621 -18.281 2.000 187 HG3 LYS 35 3HG LYS 35 -19.809 -19.822 1.717 188 HD2 LYS 35 2HD LYS 35 -18.616 -18.928 4.021 189 HD3 LYS 35 3HD LYS 35 -20.282 -18.377 4.212 190 HE2 LYS 35 2HE LYS 35 -21.135 -20.538 4.131 191 HE3 LYS 35 3HE LYS 35 -19.696 -21.181 3.341 192 HZ1 LYS 35 1HZ LYS 35 -18.734 -20.259 5.691 193 HZ2 LYS 35 2HZ LYS 35 -19.146 -21.869 5.376 194 HZ3 LYS 35 3HZ LYS 35 -20.255 -20.847 6.143 195 H LYS 36 H LYS 36 -18.033 -17.964 -1.257 196 HA LYS 36 HA LYS 36 -15.547 -16.443 -1.404 197 HB2 LYS 36 2HB LYS 36 -16.446 -18.243 -3.660 198 HB3 LYS 36 3HB LYS 36 -15.011 -17.225 -3.634 199 HG2 LYS 36 2HG LYS 36 -14.338 -18.633 -1.574 200 HG3 LYS 36 3HG LYS 36 -15.540 -19.778 -2.174 201 HD2 LYS 36 2HD LYS 36 -14.279 -20.368 -3.958 202 HD3 LYS 36 3HD LYS 36 -13.633 -18.740 -4.173 203 HE2 LYS 36 2HE LYS 36 -12.654 -19.754 -1.710 204 HE3 LYS 36 3HE LYS 36 -12.413 -20.994 -2.939 205 HZ1 LYS 36 1HZ LYS 36 -10.528 -19.470 -2.779 206 HZ2 LYS 36 2HZ LYS 36 -11.532 -18.167 -3.172 207 HZ3 LYS 36 3HZ LYS 36 -11.256 -19.393 -4.304 208 HA PRO 37 HA PRO 37 -19.248 -14.043 -2.776 209 HB2 PRO 37 2HB PRO 37 -18.522 -11.768 -1.484 210 HB3 PRO 37 3HB PRO 37 -19.428 -13.070 -0.702 211 HG2 PRO 37 2HG PRO 37 -16.498 -12.467 -0.586 212 HG3 PRO 37 3HG PRO 37 -17.596 -12.938 0.724 213 HD2 PRO 37 2HD PRO 37 -15.919 -14.695 -0.474 214 HD3 PRO 37 3HD PRO 37 -17.504 -15.173 0.167 215 H VAL 38 H VAL 38 -15.939 -12.749 -2.415 216 HA VAL 38 HA VAL 38 -16.261 -11.322 -4.956 217 HB VAL 38 HB VAL 38 -14.883 -10.728 -2.509 218 HG11 VAL 38 1HG1 VAL 38 -12.920 -11.700 -3.575 219 HG12 VAL 38 2HG1 VAL 38 -13.163 -10.670 -4.987 220 HG13 VAL 38 3HG1 VAL 38 -12.751 -9.951 -3.429 221 HG21 VAL 38 1HG2 VAL 38 -14.504 -8.578 -4.109 222 HG22 VAL 38 2HG2 VAL 38 -15.844 -9.371 -4.936 223 HG23 VAL 38 3HG2 VAL 38 -16.001 -8.914 -3.240 224 HA PRO 39 HA PRO 39 -13.681 -14.089 -7.190 225 HB2 PRO 39 2HB PRO 39 -12.552 -12.384 -8.976 226 HB3 PRO 39 3HB PRO 39 -14.244 -12.890 -9.068 227 HG2 PRO 39 2HG PRO 39 -13.080 -10.363 -7.963 228 HG3 PRO 39 3HG PRO 39 -14.515 -10.582 -8.981 229 HD2 PRO 39 2HD PRO 39 -14.671 -10.212 -6.303 230 HD3 PRO 39 3HD PRO 39 -15.838 -11.205 -7.199 231 H ILE 40 H ILE 40 -11.964 -10.994 -6.696 232 HA ILE 40 HA ILE 40 -9.399 -12.202 -6.617 233 HB ILE 40 HB ILE 40 -8.645 -9.993 -5.701 234 HG12 ILE 40 2HG1 ILE 40 -10.742 -8.301 -6.161 235 HG13 ILE 40 3HG1 ILE 40 -11.562 -9.683 -5.442 236 HG21 ILE 40 1HG2 ILE 40 -8.402 -9.948 -7.951 237 HG22 ILE 40 2HG2 ILE 40 -10.077 -10.410 -8.251 238 HG23 ILE 40 3HG2 ILE 40 -9.684 -8.743 -7.828 239 HD11 ILE 40 1HD1 ILE 40 -10.272 -7.620 -4.113 240 HD12 ILE 40 2HD1 ILE 40 -10.856 -9.133 -3.418 241 HD13 ILE 40 3HD1 ILE 40 -9.184 -9.001 -3.965 242 H ILE 41 H ILE 41 -8.405 -13.224 -5.013 243 HA ILE 41 HA ILE 41 -9.641 -13.284 -2.380 244 HB ILE 41 HB ILE 41 -8.485 -15.228 -1.957 245 HG12 ILE 41 2HG1 ILE 41 -6.432 -14.883 -4.095 246 HG13 ILE 41 3HG1 ILE 41 -6.266 -13.932 -2.624 247 HG21 ILE 41 1HG2 ILE 41 -8.680 -16.641 -3.862 248 HG22 ILE 41 2HG2 ILE 41 -9.941 -15.416 -3.989 249 HG23 ILE 41 3HG2 ILE 41 -8.480 -15.282 -4.967 250 HD11 ILE 41 1HD1 ILE 41 -5.799 -16.770 -3.089 251 HD12 ILE 41 2HD1 ILE 41 -5.149 -15.695 -1.851 252 HD13 ILE 41 3HD1 ILE 41 -6.738 -16.428 -1.637 253 H ALA 42 H ALA 42 -7.934 -13.464 -0.513 254 HA ALA 42 HA ALA 42 -5.738 -11.577 -0.824 255 HB1 ALA 42 1HB ALA 42 -6.446 -10.012 0.736 256 HB2 ALA 42 2HB ALA 42 -7.921 -10.365 -0.165 257 HB3 ALA 42 3HB ALA 42 -7.660 -11.095 1.419 258 H CYS 43 H CYS 43 -4.012 -12.277 0.251 259 HA CYS 43 HA CYS 43 -4.368 -14.412 2.224 260 HB2 CYS 43 2HB CYS 43 -1.810 -13.463 0.919 261 HB3 CYS 43 3HB CYS 43 -2.034 -14.934 1.861 262 H ASN 44 H ASN 44 -4.214 -13.993 4.319 263 HA ASN 44 HA ASN 44 -3.298 -11.401 5.221 264 HB2 ASN 44 2HB ASN 44 -4.306 -11.898 7.270 265 HB3 ASN 44 3HB ASN 44 -5.327 -12.747 6.113 266 HD21 ASN 44 1HD2 ASN 44 -3.305 -14.816 5.658 267 HD22 ASN 44 2HD2 ASN 44 -3.358 -15.838 7.049 268 H ARG 45 H ARG 45 -1.803 -11.221 7.078 269 HA ARG 45 HA ARG 45 0.513 -12.941 6.637 270 HB2 ARG 45 2HB ARG 45 1.693 -11.225 8.046 271 HB3 ARG 45 3HB ARG 45 1.007 -10.608 6.549 272 HG2 ARG 45 2HG ARG 45 -0.104 -9.074 7.687 273 HG3 ARG 45 3HG ARG 45 -0.953 -10.339 8.578 274 HD2 ARG 45 2HD ARG 45 1.446 -10.350 9.834 275 HD3 ARG 45 3HD ARG 45 1.319 -8.651 9.380 276 HE ARG 45 HE ARG 45 -0.200 -10.018 11.383 277 HH11 ARG 45 1HH1 ARG 45 -0.235 -7.379 9.113 278 HH12 ARG 45 2HH1 ARG 45 -1.401 -6.457 10.003 279 HH21 ARG 45 1HH2 ARG 45 -1.736 -8.814 12.564 280 HH22 ARG 45 2HH2 ARG 45 -2.253 -7.274 11.967 281 H ARG 46 H ARG 46 -0.454 -14.776 7.733 282 HA ARG 46 HA ARG 46 -0.139 -14.576 10.651 283 HB2 ARG 46 2HB ARG 46 -2.391 -15.759 9.078 284 HB3 ARG 46 3HB ARG 46 -1.952 -16.483 10.619 285 HG2 ARG 46 2HG ARG 46 -2.212 -14.208 11.647 286 HG3 ARG 46 3HG ARG 46 -2.894 -13.676 10.109 287 HD2 ARG 46 2HD ARG 46 -4.480 -15.705 10.398 288 HD3 ARG 46 3HD ARG 46 -3.987 -15.636 12.090 289 HE ARG 46 HE ARG 46 -4.824 -13.088 11.144 290 HH11 ARG 46 1HH1 ARG 46 -6.005 -16.177 12.232 291 HH12 ARG 46 2HH1 ARG 46 -7.518 -15.548 12.793 292 HH21 ARG 46 1HH2 ARG 46 -6.813 -12.248 11.879 293 HH22 ARG 46 2HH2 ARG 46 -7.977 -13.313 12.591 294 H THR 47 H THR 47 -1.007 -17.358 8.657 295 HA THR 47 HA THR 47 1.642 -18.524 9.196 296 HB THR 47 HB THR 47 0.177 -19.563 10.789 297 HG1 THR 47 HG1 THR 47 0.497 -21.682 10.170 298 HG21 THR 47 1HG2 THR 47 -1.682 -20.955 9.146 299 HG22 THR 47 2HG2 THR 47 -1.778 -19.239 8.752 300 HG23 THR 47 3HG2 THR 47 -2.007 -19.776 10.415 301 H GLY 48 H GLY 48 -0.662 -17.681 6.939 302 HA2 GLY 48 2HA GLY 48 0.104 -17.924 4.601 303 HA3 GLY 48 3HA GLY 48 0.456 -19.601 4.989 304 H LYS 49 H LYS 49 -2.305 -17.353 5.213 305 HA LYS 49 HA LYS 49 -3.937 -19.289 3.757 306 HB2 LYS 49 2HB LYS 49 -5.462 -19.679 5.398 307 HB3 LYS 49 3HB LYS 49 -4.077 -19.362 6.434 308 HG2 LYS 49 2HG LYS 49 -4.808 -17.010 6.630 309 HG3 LYS 49 3HG LYS 49 -6.240 -17.409 5.679 310 HD2 LYS 49 2HD LYS 49 -5.503 -18.774 8.264 311 HD3 LYS 49 3HD LYS 49 -6.600 -17.395 8.157 312 HE2 LYS 49 2HE LYS 49 -7.972 -18.754 6.543 313 HE3 LYS 49 3HE LYS 49 -6.955 -20.134 6.955 314 HZ1 LYS 49 1HZ LYS 49 -8.060 -18.728 9.225 315 HZ2 LYS 49 2HZ LYS 49 -7.962 -20.389 8.923 316 HZ3 LYS 49 3HZ LYS 49 -9.213 -19.478 8.240 317 H CYS 50 H CYS 50 -5.540 -18.381 2.529 318 HA CYS 50 HA CYS 50 -5.760 -15.444 2.635 319 HB2 CYS 50 2HB CYS 50 -6.198 -17.011 0.112 320 HB3 CYS 50 3HB CYS 50 -5.781 -15.311 0.301 321 H GLN 51 H GLN 51 -7.814 -14.845 1.150 322 HA GLN 51 HA GLN 51 -10.052 -16.593 1.365 323 HB2 GLN 51 2HB GLN 51 -11.317 -15.502 3.061 324 HB3 GLN 51 3HB GLN 51 -9.733 -15.837 3.747 325 HG2 GLN 51 2HG GLN 51 -9.596 -13.277 2.578 326 HG3 GLN 51 3HG GLN 51 -11.097 -13.350 3.500 327 HE21 GLN 51 1HE2 GLN 51 -7.676 -14.241 3.789 328 HE22 GLN 51 2HE2 GLN 51 -7.517 -13.774 5.445 329 H ARG 52 H ARG 52 -12.084 -14.651 1.499 330 HA ARG 52 HA ARG 52 -11.860 -13.545 -1.158 331 HB2 ARG 52 2HB ARG 52 -14.221 -12.814 -0.748 332 HB3 ARG 52 3HB ARG 52 -13.958 -14.545 -0.585 333 HG2 ARG 52 2HG ARG 52 -13.662 -13.062 1.915 334 HG3 ARG 52 3HG ARG 52 -15.276 -12.976 1.206 335 HD2 ARG 52 2HD ARG 52 -15.722 -15.100 1.729 336 HD3 ARG 52 3HD ARG 52 -14.166 -15.658 1.116 337 HE ARG 52 HE ARG 52 -13.379 -15.673 3.259 338 HH11 ARG 52 1HH1 ARG 52 -16.249 -13.706 3.129 339 HH12 ARG 52 2HH1 ARG 52 -16.330 -13.481 4.845 340 HH21 ARG 52 1HH2 ARG 52 -13.476 -15.384 5.520 341 HH22 ARG 52 2HH2 ARG 52 -14.752 -14.435 6.204 342 H ALA 53 H ALA 53 -12.448 -11.292 -1.624 343 HA ALA 53 HA ALA 53 -12.240 -9.035 -1.374 344 HB1 ALA 53 1HB ALA 53 -12.697 -8.026 0.684 345 HB2 ALA 53 2HB ALA 53 -13.593 -9.545 0.737 346 HB3 ALA 53 3HB ALA 53 -12.062 -9.394 1.599 Start of MODEL 18 1 H1 GLY 1 H GLY 1 7.804 -1.687 -6.068 2 HA2 GLY 1 2HA GLY 1 6.576 0.256 -6.000 3 HA3 GLY 1 3HA GLY 1 5.541 -0.638 -4.897 4 H SER 2 H SER 2 6.292 -0.692 -2.588 5 HA SER 2 HA SER 2 7.744 1.753 -1.848 6 HB2 SER 2 2HB SER 2 5.840 1.537 0.134 7 HB3 SER 2 3HB SER 2 5.777 2.662 -1.222 8 HG SER 2 HG SER 2 3.998 1.646 -1.686 9 H LYS 3 H LYS 3 6.040 -0.848 -0.108 10 HA LYS 3 HA LYS 3 8.600 -1.654 1.084 11 HB2 LYS 3 2HB LYS 3 7.428 -1.909 3.283 12 HB3 LYS 3 3HB LYS 3 7.616 -0.243 2.751 13 HG2 LYS 3 2HG LYS 3 5.290 -0.250 1.961 14 HG3 LYS 3 3HG LYS 3 5.110 -1.903 2.556 15 HD2 LYS 3 2HD LYS 3 5.479 -1.188 4.819 16 HD3 LYS 3 3HD LYS 3 5.881 0.446 4.285 17 HE2 LYS 3 2HE LYS 3 3.636 0.452 5.125 18 HE3 LYS 3 3HE LYS 3 3.575 0.648 3.374 19 HZ1 LYS 3 1HZ LYS 3 3.449 -2.049 3.749 20 HZ2 LYS 3 2HZ LYS 3 2.143 -1.034 3.400 21 HZ3 LYS 3 3HZ LYS 3 2.495 -1.437 5.005 22 H LYS 4 H LYS 4 8.906 -3.791 1.100 23 HA LYS 4 HA LYS 4 6.562 -5.530 0.683 24 HB2 LYS 4 2HB LYS 4 9.333 -6.169 -0.310 25 HB3 LYS 4 3HB LYS 4 7.811 -6.922 -0.769 26 HG2 LYS 4 2HG LYS 4 7.838 -5.596 -2.548 27 HG3 LYS 4 3HG LYS 4 7.455 -4.269 -1.448 28 HD2 LYS 4 2HD LYS 4 9.601 -3.478 -1.437 29 HD3 LYS 4 3HD LYS 4 10.304 -5.070 -1.734 30 HE2 LYS 4 2HE LYS 4 9.845 -4.969 -4.028 31 HE3 LYS 4 3HE LYS 4 8.683 -3.659 -3.827 32 HZ1 LYS 4 1HZ LYS 4 11.598 -3.393 -3.337 33 HZ2 LYS 4 2HZ LYS 4 10.451 -2.150 -3.328 34 HZ3 LYS 4 3HZ LYS 4 10.829 -2.941 -4.774 35 HA PRO 5 HA PRO 5 8.590 -6.767 4.646 36 HB2 PRO 5 2HB PRO 5 6.254 -7.232 5.949 37 HB3 PRO 5 3HB PRO 5 7.001 -5.632 5.856 38 HG2 PRO 5 2HG PRO 5 4.760 -6.775 4.232 39 HG3 PRO 5 3HG PRO 5 4.913 -5.160 4.947 40 HD2 PRO 5 2HD PRO 5 5.401 -5.646 2.328 41 HD3 PRO 5 3HD PRO 5 6.268 -4.397 3.245 42 H VAL 6 H VAL 6 6.520 -8.205 2.348 43 HA VAL 6 HA VAL 6 7.413 -10.852 3.140 44 HB VAL 6 HB VAL 6 4.767 -9.945 3.751 45 HG11 VAL 6 1HG1 VAL 6 4.181 -10.641 1.486 46 HG12 VAL 6 2HG1 VAL 6 4.881 -12.233 1.787 47 HG13 VAL 6 3HG1 VAL 6 3.455 -11.710 2.686 48 HG21 VAL 6 1HG2 VAL 6 5.462 -11.320 5.378 49 HG22 VAL 6 2HG2 VAL 6 4.840 -12.610 4.349 50 HG23 VAL 6 3HG2 VAL 6 6.553 -12.196 4.304 51 HA PRO 7 HA PRO 7 7.573 -11.473 -1.205 52 HB2 PRO 7 2HB PRO 7 7.279 -14.168 -1.338 53 HB3 PRO 7 3HB PRO 7 8.756 -13.391 -0.757 54 HG2 PRO 7 2HG PRO 7 6.497 -14.574 0.810 55 HG3 PRO 7 3HG PRO 7 8.243 -14.714 1.085 56 HD2 PRO 7 2HD PRO 7 6.679 -13.006 2.489 57 HD3 PRO 7 3HD PRO 7 8.375 -12.650 2.103 58 H ILE 8 H ILE 8 5.092 -13.621 0.208 59 HA ILE 8 HA ILE 8 3.457 -13.590 -2.108 60 HB ILE 8 HB ILE 8 1.717 -14.593 -0.630 61 HG12 ILE 8 2HG1 ILE 8 2.972 -15.292 1.670 62 HG13 ILE 8 3HG1 ILE 8 3.643 -13.684 1.423 63 HG21 ILE 8 1HG2 ILE 8 3.459 -15.927 -1.794 64 HG22 ILE 8 2HG2 ILE 8 4.428 -15.870 -0.323 65 HG23 ILE 8 3HG2 ILE 8 2.862 -16.680 -0.315 66 HD11 ILE 8 1HD1 ILE 8 0.779 -13.731 1.026 67 HD12 ILE 8 2HD1 ILE 8 1.243 -14.302 2.629 68 HD13 ILE 8 3HD1 ILE 8 1.762 -12.711 2.076 69 H ILE 9 H ILE 9 1.995 -12.159 -2.774 70 HA ILE 9 HA ILE 9 1.465 -9.817 -1.142 71 HB ILE 9 HB ILE 9 0.829 -8.725 -3.050 72 HG12 ILE 9 2HG1 ILE 9 0.219 -11.092 -4.733 73 HG13 ILE 9 3HG1 ILE 9 -0.905 -10.750 -3.423 74 HG21 ILE 9 1HG2 ILE 9 2.309 -10.848 -4.534 75 HG22 ILE 9 2HG2 ILE 9 2.456 -9.094 -4.634 76 HG23 ILE 9 3HG2 ILE 9 3.125 -9.956 -3.249 77 HD11 ILE 9 1HD1 ILE 9 -0.626 -8.293 -4.527 78 HD12 ILE 9 2HD1 ILE 9 -0.456 -9.333 -5.942 79 HD13 ILE 9 3HD1 ILE 9 -1.900 -9.443 -4.935 80 H ALA 10 H ALA 10 -0.869 -8.932 -1.331 81 HA ALA 10 HA ALA 10 -2.894 -11.026 -1.195 82 HB1 ALA 10 1HB ALA 10 -3.156 -9.199 1.057 83 HB2 ALA 10 2HB ALA 10 -3.270 -10.959 1.004 84 HB3 ALA 10 3HB ALA 10 -1.693 -10.181 1.131 85 H CYS 11 H CYS 11 -4.737 -10.374 -2.102 86 HA CYS 11 HA CYS 11 -5.010 -7.557 -2.821 87 HB2 CYS 11 2HB CYS 11 -6.626 -9.957 -3.707 88 HB3 CYS 11 3HB CYS 11 -6.763 -8.326 -4.355 89 H ASN 12 H ASN 12 -6.326 -6.223 -1.776 90 HA ASN 12 HA ASN 12 -8.033 -7.240 0.325 91 HB2 ASN 12 2HB ASN 12 -8.176 -5.035 1.101 92 HB3 ASN 12 3HB ASN 12 -6.559 -5.116 0.408 93 HD21 ASN 12 1HD2 ASN 12 -7.578 -5.090 -2.330 94 HD22 ASN 12 2HD2 ASN 12 -8.061 -3.460 -2.639 95 H ARG 13 H ARG 13 -10.278 -6.436 0.557 96 HA ARG 13 HA ARG 13 -11.678 -6.724 -1.984 97 HB2 ARG 13 2HB ARG 13 -13.707 -6.912 -0.507 98 HB3 ARG 13 3HB ARG 13 -12.490 -8.156 -0.260 99 HG2 ARG 13 2HG ARG 13 -12.113 -7.537 1.854 100 HG3 ARG 13 3HG ARG 13 -12.161 -5.817 1.461 101 HD2 ARG 13 2HD ARG 13 -14.331 -5.630 2.010 102 HD3 ARG 13 3HD ARG 13 -14.750 -7.173 1.267 103 HE ARG 13 HE ARG 13 -13.291 -7.458 3.719 104 HH11 ARG 13 1HH1 ARG 13 -16.444 -6.984 2.321 105 HH12 ARG 13 2HH1 ARG 13 -17.289 -7.656 3.676 106 HH21 ARG 13 1HH2 ARG 13 -14.393 -8.345 5.509 107 HH22 ARG 13 2HH2 ARG 13 -16.122 -8.429 5.489 108 H ARG 14 H ARG 14 -11.089 -4.589 -2.749 109 HA ARG 14 HA ARG 14 -12.874 -2.521 -1.659 110 HB2 ARG 14 2HB ARG 14 -9.960 -2.329 -2.318 111 HB3 ARG 14 3HB ARG 14 -10.986 -0.915 -2.522 112 HG2 ARG 14 2HG ARG 14 -10.846 -2.454 0.053 113 HG3 ARG 14 3HG ARG 14 -9.760 -1.116 -0.325 114 HD2 ARG 14 2HD ARG 14 -11.342 0.157 0.629 115 HD3 ARG 14 3HD ARG 14 -12.180 -0.027 -0.911 116 HE ARG 14 HE ARG 14 -12.971 -2.188 0.549 117 HH11 ARG 14 1HH1 ARG 14 -13.014 1.258 1.045 118 HH12 ARG 14 2HH1 ARG 14 -14.437 1.229 2.033 119 HH21 ARG 14 1HH2 ARG 14 -14.844 -2.239 1.850 120 HH22 ARG 14 2HH2 ARG 14 -15.476 -0.760 2.492 121 H THR 15 H THR 15 -10.606 -2.498 -4.383 122 HA THR 15 HA THR 15 -12.840 -2.533 -6.268 123 HB THR 15 HB THR 15 -12.521 -0.165 -5.861 124 HG1 THR 15 HG1 THR 15 -11.815 0.406 -8.069 125 HG21 THR 15 1HG2 THR 15 -9.876 -0.803 -5.432 126 HG22 THR 15 2HG2 THR 15 -10.535 0.829 -5.557 127 HG23 THR 15 3HG2 THR 15 -9.834 0.049 -6.975 128 H GLY 16 H GLY 16 -10.107 -3.913 -5.391 129 HA2 GLY 16 2HA GLY 16 -9.201 -5.631 -6.851 130 HA3 GLY 16 3HA GLY 16 -9.315 -4.482 -8.176 131 H LYS 17 H LYS 17 -7.900 -4.408 -4.903 132 HA LYS 17 HA LYS 17 -5.328 -3.681 -6.134 133 HB2 LYS 17 2HB LYS 17 -6.864 -2.267 -4.008 134 HB3 LYS 17 3HB LYS 17 -5.112 -2.319 -3.855 135 HG2 LYS 17 2HG LYS 17 -4.974 -1.384 -6.175 136 HG3 LYS 17 3HG LYS 17 -6.722 -1.151 -6.111 137 HD2 LYS 17 2HD LYS 17 -5.948 0.914 -5.428 138 HD3 LYS 17 3HD LYS 17 -6.195 0.097 -3.883 139 HE2 LYS 17 2HE LYS 17 -3.776 -0.548 -3.940 140 HE3 LYS 17 3HE LYS 17 -3.595 0.483 -5.358 141 HZ1 LYS 17 1HZ LYS 17 -3.041 1.954 -3.742 142 HZ2 LYS 17 2HZ LYS 17 -4.007 1.223 -2.562 143 HZ3 LYS 17 3HZ LYS 17 -4.713 2.213 -3.738 144 H CYS 18 H CYS 18 -3.466 -4.353 -5.025 145 HA CYS 18 HA CYS 18 -3.874 -6.132 -2.727 146 HB2 CYS 18 2HB CYS 18 -1.971 -6.943 -4.897 147 HB3 CYS 18 3HB CYS 18 -2.754 -7.940 -3.675 148 H GLN 19 H GLN 19 -1.550 -6.892 -1.970 149 HA GLN 19 HA GLN 19 0.599 -5.072 -2.368 150 HB2 GLN 19 2HB GLN 19 0.631 -4.100 -0.098 151 HB3 GLN 19 3HB GLN 19 -0.771 -3.587 -1.028 152 HG2 GLN 19 2HG GLN 19 -1.208 -5.979 0.602 153 HG3 GLN 19 3HG GLN 19 -0.841 -4.519 1.519 154 HE21 GLN 19 1HE2 GLN 19 -3.226 -6.281 -0.028 155 HE22 GLN 19 2HE2 GLN 19 -4.469 -5.082 -0.045 156 H ARG 20 H ARG 20 2.136 -5.365 -0.229 157 HA ARG 20 HA ARG 20 2.645 -8.224 -0.191 158 HB2 ARG 20 2HB ARG 20 4.206 -5.834 0.781 159 HB3 ARG 20 3HB ARG 20 4.723 -7.488 1.081 160 HG2 ARG 20 2HG ARG 20 5.846 -7.279 -0.833 161 HG3 ARG 20 3HG ARG 20 4.280 -7.521 -1.609 162 HD2 ARG 20 2HD ARG 20 3.960 -5.042 -1.544 163 HD3 ARG 20 3HD ARG 20 5.621 -4.899 -0.971 164 HE ARG 20 HE ARG 20 5.858 -6.355 -3.244 165 HH11 ARG 20 1HH1 ARG 20 4.353 -3.311 -2.477 166 HH12 ARG 20 2HH1 ARG 20 4.607 -2.640 -4.054 167 HH21 ARG 20 1HH2 ARG 20 6.198 -5.482 -5.324 168 HH22 ARG 20 2HH2 ARG 20 5.655 -3.876 -5.673 169 H ALA 21 H ALA 21 2.271 -9.550 1.475 170 HA ALA 21 HA ALA 21 1.638 -10.325 3.520 171 HB1 ALA 21 1HB ALA 21 3.129 -7.889 4.106 172 HB2 ALA 21 2HB ALA 21 1.951 -8.306 5.351 173 HB3 ALA 21 3HB ALA 21 3.189 -9.471 4.883 174 H1 GLY 33 H GLY 33 -11.373 -22.877 3.595 175 HA2 GLY 33 2HA GLY 33 -12.270 -21.964 0.941 176 HA3 GLY 33 3HA GLY 33 -11.833 -23.648 1.192 177 H SER 34 H SER 34 -13.936 -21.140 2.600 178 HA SER 34 HA SER 34 -16.073 -23.151 2.745 179 HB2 SER 34 2HB SER 34 -15.302 -21.214 4.939 180 HB3 SER 34 3HB SER 34 -16.768 -22.194 4.941 181 HG SER 34 HG SER 34 -15.632 -23.856 5.538 182 H LYS 35 H LYS 35 -15.573 -19.688 3.446 183 HA LYS 35 HA LYS 35 -17.959 -19.116 1.815 184 HB2 LYS 35 2HB LYS 35 -17.114 -18.197 4.446 185 HB3 LYS 35 3HB LYS 35 -17.475 -16.860 3.362 186 HG2 LYS 35 2HG LYS 35 -19.395 -19.132 3.618 187 HG3 LYS 35 3HG LYS 35 -19.348 -17.864 4.845 188 HD2 LYS 35 2HD LYS 35 -20.521 -16.505 3.533 189 HD3 LYS 35 3HD LYS 35 -19.325 -16.669 2.244 190 HE2 LYS 35 2HE LYS 35 -20.432 -18.608 1.380 191 HE3 LYS 35 3HE LYS 35 -21.521 -18.668 2.765 192 HZ1 LYS 35 1HZ LYS 35 -22.732 -17.706 1.015 193 HZ2 LYS 35 2HZ LYS 35 -21.468 -16.671 0.579 194 HZ3 LYS 35 3HZ LYS 35 -22.312 -16.413 2.022 195 H LYS 36 H LYS 36 -17.781 -17.768 0.123 196 HA LYS 36 HA LYS 36 -15.186 -16.430 -0.279 197 HB2 LYS 36 2HB LYS 36 -15.732 -16.591 -2.733 198 HB3 LYS 36 3HB LYS 36 -15.423 -18.128 -1.935 199 HG2 LYS 36 2HG LYS 36 -17.422 -18.900 -2.497 200 HG3 LYS 36 3HG LYS 36 -18.225 -17.475 -1.835 201 HD2 LYS 36 2HD LYS 36 -17.488 -16.294 -3.986 202 HD3 LYS 36 3HD LYS 36 -17.159 -17.913 -4.609 203 HE2 LYS 36 2HE LYS 36 -19.813 -17.101 -3.442 204 HE3 LYS 36 3HE LYS 36 -19.431 -16.959 -5.157 205 HZ1 LYS 36 1HZ LYS 36 -20.308 -19.018 -5.193 206 HZ2 LYS 36 2HZ LYS 36 -19.969 -19.332 -3.566 207 HZ3 LYS 36 3HZ LYS 36 -18.749 -19.483 -4.729 208 HA PRO 37 HA PRO 37 -18.347 -13.084 0.104 209 HB2 PRO 37 2HB PRO 37 -16.723 -11.410 1.493 210 HB3 PRO 37 3HB PRO 37 -17.694 -12.667 2.267 211 HG2 PRO 37 2HG PRO 37 -14.791 -12.697 1.536 212 HG3 PRO 37 3HG PRO 37 -15.578 -13.270 3.018 213 HD2 PRO 37 2HD PRO 37 -14.816 -14.946 1.033 214 HD3 PRO 37 3HD PRO 37 -16.236 -15.256 2.052 215 H VAL 38 H VAL 38 -15.196 -13.395 -1.215 216 HA VAL 38 HA VAL 38 -15.754 -11.283 -3.128 217 HB VAL 38 HB VAL 38 -13.954 -10.850 -0.946 218 HG11 VAL 38 1HG1 VAL 38 -12.644 -10.790 -3.663 219 HG12 VAL 38 2HG1 VAL 38 -11.943 -10.194 -2.157 220 HG13 VAL 38 3HG1 VAL 38 -12.265 -11.917 -2.360 221 HG21 VAL 38 1HG2 VAL 38 -14.984 -8.919 -1.425 222 HG22 VAL 38 2HG2 VAL 38 -13.706 -8.697 -2.620 223 HG23 VAL 38 3HG2 VAL 38 -15.260 -9.375 -3.106 224 HA PRO 39 HA PRO 39 -13.759 -14.045 -5.900 225 HB2 PRO 39 2HB PRO 39 -12.841 -12.308 -7.772 226 HB3 PRO 39 3HB PRO 39 -14.552 -12.714 -7.596 227 HG2 PRO 39 2HG PRO 39 -13.059 -10.321 -6.592 228 HG3 PRO 39 3HG PRO 39 -14.657 -10.403 -7.357 229 HD2 PRO 39 2HD PRO 39 -14.335 -10.176 -4.678 230 HD3 PRO 39 3HD PRO 39 -15.698 -11.051 -5.406 231 H ILE 40 H ILE 40 -11.786 -11.083 -5.584 232 HA ILE 40 HA ILE 40 -9.328 -12.435 -5.994 233 HB ILE 40 HB ILE 40 -8.268 -10.342 -5.207 234 HG12 ILE 40 2HG1 ILE 40 -10.176 -8.458 -4.977 235 HG13 ILE 40 3HG1 ILE 40 -11.047 -9.828 -4.298 236 HG21 ILE 40 1HG2 ILE 40 -10.460 -10.225 -7.250 237 HG22 ILE 40 2HG2 ILE 40 -9.405 -8.846 -6.949 238 HG23 ILE 40 3HG2 ILE 40 -8.721 -10.376 -7.499 239 HD11 ILE 40 1HD1 ILE 40 -8.776 -10.080 -2.940 240 HD12 ILE 40 2HD1 ILE 40 -8.723 -8.343 -3.246 241 HD13 ILE 40 3HD1 ILE 40 -10.102 -9.048 -2.403 242 H ILE 41 H ILE 41 -7.950 -13.380 -4.607 243 HA ILE 41 HA ILE 41 -8.749 -13.489 -1.782 244 HB ILE 41 HB ILE 41 -7.912 -15.605 -1.632 245 HG12 ILE 41 2HG1 ILE 41 -6.157 -16.314 -3.548 246 HG13 ILE 41 3HG1 ILE 41 -5.843 -14.583 -3.498 247 HG21 ILE 41 1HG2 ILE 41 -8.128 -15.799 -4.592 248 HG22 ILE 41 2HG2 ILE 41 -8.809 -16.834 -3.338 249 HG23 ILE 41 3HG2 ILE 41 -9.537 -15.264 -3.676 250 HD11 ILE 41 1HD1 ILE 41 -5.888 -16.172 -0.973 251 HD12 ILE 41 2HD1 ILE 41 -4.461 -16.174 -2.010 252 HD13 ILE 41 3HD1 ILE 41 -5.057 -14.659 -1.332 253 H ALA 42 H ALA 42 -7.243 -13.182 -0.128 254 HA ALA 42 HA ALA 42 -4.709 -11.918 -0.949 255 HB1 ALA 42 1HB ALA 42 -5.202 -10.065 0.172 256 HB2 ALA 42 2HB ALA 42 -6.838 -10.694 0.378 257 HB3 ALA 42 3HB ALA 42 -5.619 -10.984 1.619 258 H CYS 43 H CYS 43 -2.942 -12.849 -0.161 259 HA CYS 43 HA CYS 43 -3.223 -14.889 1.906 260 HB2 CYS 43 2HB CYS 43 -0.913 -14.170 0.091 261 HB3 CYS 43 3HB CYS 43 -0.869 -15.462 1.287 262 H ASN 44 H ASN 44 -2.680 -14.554 3.955 263 HA ASN 44 HA ASN 44 -1.529 -12.031 4.749 264 HB2 ASN 44 2HB ASN 44 -2.169 -12.574 6.929 265 HB3 ASN 44 3HB ASN 44 -3.394 -13.378 5.952 266 HD21 ASN 44 1HD2 ASN 44 -1.615 -15.487 5.080 267 HD22 ASN 44 2HD2 ASN 44 -1.400 -16.536 6.436 268 H ARG 45 H ARG 45 0.287 -11.918 6.285 269 HA ARG 45 HA ARG 45 2.430 -13.709 5.424 270 HB2 ARG 45 2HB ARG 45 3.896 -12.003 6.587 271 HB3 ARG 45 3HB ARG 45 3.011 -11.423 5.183 272 HG2 ARG 45 2HG ARG 45 1.580 -10.131 6.450 273 HG3 ARG 45 3HG ARG 45 1.857 -11.078 7.913 274 HD2 ARG 45 2HD ARG 45 4.336 -9.963 7.054 275 HD3 ARG 45 3HD ARG 45 3.125 -8.683 7.100 276 HE ARG 45 HE ARG 45 4.297 -10.019 9.335 277 HH11 ARG 45 1HH1 ARG 45 1.415 -8.429 8.202 278 HH12 ARG 45 2HH1 ARG 45 0.889 -7.968 9.787 279 HH21 ARG 45 1HH2 ARG 45 3.615 -9.419 11.427 280 HH22 ARG 45 2HH2 ARG 45 2.142 -8.531 11.621 281 H ARG 46 H ARG 46 1.662 -15.497 6.720 282 HA ARG 46 HA ARG 46 2.529 -15.258 9.520 283 HB2 ARG 46 2HB ARG 46 0.710 -16.652 10.263 284 HB3 ARG 46 3HB ARG 46 0.045 -15.294 9.366 285 HG2 ARG 46 2HG ARG 46 -1.164 -16.857 8.324 286 HG3 ARG 46 3HG ARG 46 0.311 -17.144 7.399 287 HD2 ARG 46 2HD ARG 46 -0.503 -19.253 8.184 288 HD3 ARG 46 3HD ARG 46 0.957 -18.855 9.088 289 HE ARG 46 HE ARG 46 -0.952 -17.925 10.711 290 HH11 ARG 46 1HH1 ARG 46 -0.629 -20.960 9.038 291 HH12 ARG 46 2HH1 ARG 46 -1.493 -21.863 10.238 292 HH21 ARG 46 1HH2 ARG 46 -2.091 -19.102 12.298 293 HH22 ARG 46 2HH2 ARG 46 -2.325 -20.805 12.091 294 H THR 47 H THR 47 1.939 -17.386 6.761 295 HA THR 47 HA THR 47 4.350 -18.820 7.158 296 HB THR 47 HB THR 47 2.706 -19.753 8.959 297 HG1 THR 47 HG1 THR 47 3.655 -21.858 8.581 298 HG21 THR 47 1HG2 THR 47 0.943 -20.064 7.069 299 HG22 THR 47 2HG2 THR 47 1.118 -21.313 8.302 300 HG23 THR 47 3HG2 THR 47 1.846 -21.535 6.712 301 H GLY 48 H GLY 48 1.280 -18.387 5.615 302 HA2 GLY 48 2HA GLY 48 1.710 -18.403 3.078 303 HA3 GLY 48 3HA GLY 48 2.124 -20.087 3.364 304 H LYS 49 H LYS 49 -0.517 -17.807 4.102 305 HA LYS 49 HA LYS 49 -2.413 -19.975 3.474 306 HB2 LYS 49 2HB LYS 49 -2.469 -17.814 5.547 307 HB3 LYS 49 3HB LYS 49 -3.986 -18.441 4.913 308 HG2 LYS 49 2HG LYS 49 -3.129 -20.744 5.527 309 HG3 LYS 49 3HG LYS 49 -1.852 -19.918 6.422 310 HD2 LYS 49 2HD LYS 49 -3.421 -20.199 8.076 311 HD3 LYS 49 3HD LYS 49 -3.870 -18.604 7.468 312 HE2 LYS 49 2HE LYS 49 -5.735 -19.416 6.352 313 HE3 LYS 49 3HE LYS 49 -5.112 -21.064 6.303 314 HZ1 LYS 49 1HZ LYS 49 -6.301 -19.626 8.597 315 HZ2 LYS 49 2HZ LYS 49 -5.366 -21.019 8.810 316 HZ3 LYS 49 3HZ LYS 49 -6.793 -21.088 7.904 317 H CYS 50 H CYS 50 -4.380 -19.384 2.410 318 HA CYS 50 HA CYS 50 -4.428 -16.747 1.143 319 HB2 CYS 50 2HB CYS 50 -4.354 -19.390 -0.303 320 HB3 CYS 50 3HB CYS 50 -5.030 -17.945 -1.046 321 H GLN 51 H GLN 51 -6.434 -15.928 0.901 322 HA GLN 51 HA GLN 51 -8.776 -17.555 0.716 323 HB2 GLN 51 2HB GLN 51 -9.820 -16.753 2.826 324 HB3 GLN 51 3HB GLN 51 -8.450 -17.823 3.089 325 HG2 GLN 51 2HG GLN 51 -7.770 -14.976 3.011 326 HG3 GLN 51 3HG GLN 51 -8.835 -15.445 4.335 327 HE21 GLN 51 1HE2 GLN 51 -5.739 -16.070 2.807 328 HE22 GLN 51 2HE2 GLN 51 -4.969 -16.729 4.206 329 H ARG 52 H ARG 52 -10.800 -16.050 1.066 330 HA ARG 52 HA ARG 52 -10.370 -13.779 -0.673 331 HB2 ARG 52 2HB ARG 52 -12.993 -14.560 0.578 332 HB3 ARG 52 3HB ARG 52 -12.714 -13.704 -0.932 333 HG2 ARG 52 2HG ARG 52 -11.974 -16.582 -0.454 334 HG3 ARG 52 3HG ARG 52 -13.471 -16.045 -1.220 335 HD2 ARG 52 2HD ARG 52 -11.462 -14.688 -2.579 336 HD3 ARG 52 3HD ARG 52 -10.809 -16.307 -2.330 337 HE ARG 52 HE ARG 52 -12.917 -15.563 -4.102 338 HH11 ARG 52 1HH1 ARG 52 -11.728 -18.139 -2.084 339 HH12 ARG 52 2HH1 ARG 52 -12.497 -19.390 -3.004 340 HH21 ARG 52 1HH2 ARG 52 -13.934 -17.201 -5.320 341 HH22 ARG 52 2HH2 ARG 52 -13.751 -18.855 -4.845 342 H ALA 53 H ALA 53 -10.436 -11.671 -0.125 343 HA ALA 53 HA ALA 53 -10.239 -10.972 2.647 344 HB1 ALA 53 1HB ALA 53 -8.992 -9.381 1.729 345 HB2 ALA 53 2HB ALA 53 -9.615 -9.751 0.120 346 HB3 ALA 53 3HB ALA 53 -10.476 -8.616 1.160 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.149 -0.038 -3.068 2 HA2 GLY 1 2HA GLY 1 2.632 -2.179 -4.295 3 HA3 GLY 1 3HA GLY 1 1.922 -0.796 -5.114 4 H SER 2 H SER 2 4.141 -0.531 -2.413 5 HA SER 2 HA SER 2 6.139 0.600 -4.263 6 HB2 SER 2 2HB SER 2 5.278 2.362 -2.877 7 HB3 SER 2 3HB SER 2 5.458 1.382 -1.422 8 HG SER 2 HG SER 2 7.164 2.886 -1.653 9 H LYS 3 H LYS 3 6.102 -0.567 -0.893 10 HA LYS 3 HA LYS 3 8.674 -1.868 -1.353 11 HB2 LYS 3 2HB LYS 3 7.816 -0.406 0.743 12 HB3 LYS 3 3HB LYS 3 7.376 -2.012 1.307 13 HG2 LYS 3 2HG LYS 3 10.075 -1.868 0.213 14 HG3 LYS 3 3HG LYS 3 9.819 -0.825 1.615 15 HD2 LYS 3 2HD LYS 3 8.771 -2.872 2.727 16 HD3 LYS 3 3HD LYS 3 9.485 -3.806 1.410 17 HE2 LYS 3 2HE LYS 3 11.161 -1.918 3.018 18 HE3 LYS 3 3HE LYS 3 10.793 -3.528 3.633 19 HZ1 LYS 3 1HZ LYS 3 12.914 -3.139 2.226 20 HZ2 LYS 3 2HZ LYS 3 11.857 -3.227 0.909 21 HZ3 LYS 3 3HZ LYS 3 11.993 -4.535 1.974 22 H LYS 4 H LYS 4 9.036 -4.054 -1.080 23 HA LYS 4 HA LYS 4 6.640 -5.741 -0.779 24 HB2 LYS 4 2HB LYS 4 7.735 -7.334 -2.378 25 HB3 LYS 4 3HB LYS 4 7.224 -5.813 -3.097 26 HG2 LYS 4 2HG LYS 4 9.313 -5.229 -3.642 27 HG3 LYS 4 3HG LYS 4 9.979 -5.803 -2.111 28 HD2 LYS 4 2HD LYS 4 10.916 -7.149 -3.837 29 HD3 LYS 4 3HD LYS 4 9.726 -8.142 -2.992 30 HE2 LYS 4 2HE LYS 4 8.115 -7.227 -4.851 31 HE3 LYS 4 3HE LYS 4 9.620 -6.956 -5.727 32 HZ1 LYS 4 1HZ LYS 4 9.630 -9.536 -4.586 33 HZ2 LYS 4 2HZ LYS 4 9.718 -9.099 -6.217 34 HZ3 LYS 4 3HZ LYS 4 8.211 -9.331 -5.484 35 HA PRO 5 HA PRO 5 9.725 -6.936 2.440 36 HB2 PRO 5 2HB PRO 5 7.867 -7.349 4.376 37 HB3 PRO 5 3HB PRO 5 8.561 -5.760 4.034 38 HG2 PRO 5 2HG PRO 5 5.940 -6.910 3.158 39 HG3 PRO 5 3HG PRO 5 6.302 -5.282 3.761 40 HD2 PRO 5 2HD PRO 5 6.005 -5.826 1.125 41 HD3 PRO 5 3HD PRO 5 7.107 -4.569 1.723 42 H VAL 6 H VAL 6 6.483 -8.378 2.039 43 HA VAL 6 HA VAL 6 7.665 -11.035 2.427 44 HB VAL 6 HB VAL 6 5.166 -9.865 3.192 45 HG11 VAL 6 1HG1 VAL 6 4.300 -10.755 1.087 46 HG12 VAL 6 2HG1 VAL 6 4.910 -12.356 1.509 47 HG13 VAL 6 3HG1 VAL 6 3.629 -11.617 2.470 48 HG21 VAL 6 1HG2 VAL 6 5.955 -11.107 4.886 49 HG22 VAL 6 2HG2 VAL 6 5.118 -12.439 4.090 50 HG23 VAL 6 3HG2 VAL 6 6.841 -12.188 3.810 51 HA PRO 7 HA PRO 7 7.307 -12.139 -1.809 52 HB2 PRO 7 2HB PRO 7 6.797 -14.797 -1.599 53 HB3 PRO 7 3HB PRO 7 8.383 -14.093 -1.259 54 HG2 PRO 7 2HG PRO 7 6.221 -14.900 0.648 55 HG3 PRO 7 3HG PRO 7 7.971 -15.160 0.766 56 HD2 PRO 7 2HD PRO 7 6.698 -13.182 2.107 57 HD3 PRO 7 3HD PRO 7 8.365 -13.018 1.519 58 H ILE 8 H ILE 8 4.815 -13.811 0.131 59 HA ILE 8 HA ILE 8 2.951 -13.882 -2.031 60 HB ILE 8 HB ILE 8 1.323 -14.644 -0.315 61 HG12 ILE 8 2HG1 ILE 8 2.778 -15.230 1.910 62 HG13 ILE 8 3HG1 ILE 8 3.474 -13.677 1.461 63 HG21 ILE 8 1HG2 ILE 8 2.802 -16.215 -1.497 64 HG22 ILE 8 2HG2 ILE 8 3.985 -16.055 -0.200 65 HG23 ILE 8 3HG2 ILE 8 2.406 -16.766 0.131 66 HD11 ILE 8 1HD1 ILE 8 0.793 -14.330 2.488 67 HD12 ILE 8 2HD1 ILE 8 1.802 -12.907 2.752 68 HD13 ILE 8 3HD1 ILE 8 0.879 -13.069 1.258 69 H ILE 9 H ILE 9 1.600 -12.349 -2.685 70 HA ILE 9 HA ILE 9 1.321 -9.928 -1.079 71 HB ILE 9 HB ILE 9 0.917 -8.780 -2.990 72 HG12 ILE 9 2HG1 ILE 9 -0.127 -10.183 -5.031 73 HG13 ILE 9 3HG1 ILE 9 -0.729 -11.152 -3.690 74 HG21 ILE 9 1HG2 ILE 9 2.271 -9.538 -4.776 75 HG22 ILE 9 2HG2 ILE 9 2.995 -10.176 -3.300 76 HG23 ILE 9 3HG2 ILE 9 2.030 -11.228 -4.335 77 HD11 ILE 9 1HD1 ILE 9 -2.066 -9.091 -4.689 78 HD12 ILE 9 2HD1 ILE 9 -2.145 -9.536 -2.984 79 HD13 ILE 9 3HD1 ILE 9 -1.089 -8.224 -3.505 80 H ALA 10 H ALA 10 -0.707 -8.991 -0.602 81 HA ALA 10 HA ALA 10 -3.007 -10.822 -0.778 82 HB1 ALA 10 1HB ALA 10 -1.775 -10.559 1.528 83 HB2 ALA 10 2HB ALA 10 -2.715 -9.069 1.611 84 HB3 ALA 10 3HB ALA 10 -3.536 -10.620 1.442 85 H CYS 11 H CYS 11 -4.758 -9.935 -1.654 86 HA CYS 11 HA CYS 11 -4.791 -7.047 -2.102 87 HB2 CYS 11 2HB CYS 11 -6.465 -9.276 -3.277 88 HB3 CYS 11 3HB CYS 11 -6.652 -7.572 -3.682 89 H ASN 12 H ASN 12 -6.152 -5.700 -1.100 90 HA ASN 12 HA ASN 12 -7.861 -6.743 0.983 91 HB2 ASN 12 2HB ASN 12 -7.902 -4.600 1.844 92 HB3 ASN 12 3HB ASN 12 -6.370 -4.570 0.976 93 HD21 ASN 12 1HD2 ASN 12 -7.414 -4.385 -1.634 94 HD22 ASN 12 2HD2 ASN 12 -8.112 -2.815 -1.817 95 H ARG 13 H ARG 13 -10.105 -5.974 1.233 96 HA ARG 13 HA ARG 13 -11.512 -6.200 -1.310 97 HB2 ARG 13 2HB ARG 13 -13.535 -6.448 0.168 98 HB3 ARG 13 3HB ARG 13 -12.306 -7.689 0.375 99 HG2 ARG 13 2HG ARG 13 -12.099 -7.213 2.527 100 HG3 ARG 13 3HG ARG 13 -11.829 -5.505 2.178 101 HD2 ARG 13 2HD ARG 13 -13.793 -5.902 3.628 102 HD3 ARG 13 3HD ARG 13 -14.200 -5.092 2.116 103 HE ARG 13 HE ARG 13 -14.512 -7.864 1.787 104 HH11 ARG 13 1HH1 ARG 13 -15.968 -5.179 3.458 105 HH12 ARG 13 2HH1 ARG 13 -17.552 -5.879 3.474 106 HH21 ARG 13 1HH2 ARG 13 -16.594 -8.796 1.801 107 HH22 ARG 13 2HH2 ARG 13 -17.907 -7.937 2.532 108 H ARG 14 H ARG 14 -10.949 -4.042 -2.018 109 HA ARG 14 HA ARG 14 -12.723 -2.012 -0.837 110 HB2 ARG 14 2HB ARG 14 -10.926 -0.797 -0.300 111 HB3 ARG 14 3HB ARG 14 -9.854 -1.936 -1.104 112 HG2 ARG 14 2HG ARG 14 -10.099 -0.802 -3.191 113 HG3 ARG 14 3HG ARG 14 -11.367 0.235 -2.533 114 HD2 ARG 14 2HD ARG 14 -8.551 0.169 -1.470 115 HD3 ARG 14 3HD ARG 14 -9.092 1.291 -2.718 116 HE ARG 14 HE ARG 14 -9.645 1.433 0.096 117 HH11 ARG 14 1HH1 ARG 14 -10.741 2.340 -3.081 118 HH12 ARG 14 2HH1 ARG 14 -11.644 3.708 -2.521 119 HH21 ARG 14 1HH2 ARG 14 -10.831 3.231 0.846 120 HH22 ARG 14 2HH2 ARG 14 -11.694 4.215 -0.287 121 H THR 15 H THR 15 -10.878 -2.966 -3.718 122 HA THR 15 HA THR 15 -13.074 -2.614 -5.461 123 HB THR 15 HB THR 15 -12.563 -0.213 -5.037 124 HG1 THR 15 HG1 THR 15 -12.146 0.158 -7.463 125 HG21 THR 15 1HG2 THR 15 -10.508 0.665 -5.224 126 HG22 THR 15 2HG2 THR 15 -10.187 -0.190 -6.733 127 HG23 THR 15 3HG2 THR 15 -9.931 -1.000 -5.187 128 H GLY 16 H GLY 16 -9.718 -3.134 -4.855 129 HA2 GLY 16 2HA GLY 16 -9.108 -5.231 -6.283 130 HA3 GLY 16 3HA GLY 16 -9.265 -4.076 -7.598 131 H LYS 17 H LYS 17 -7.700 -4.192 -4.393 132 HA LYS 17 HA LYS 17 -5.295 -3.043 -5.652 133 HB2 LYS 17 2HB LYS 17 -6.584 -2.584 -2.998 134 HB3 LYS 17 3HB LYS 17 -4.834 -2.452 -3.112 135 HG2 LYS 17 2HG LYS 17 -5.244 -0.848 -5.046 136 HG3 LYS 17 3HG LYS 17 -6.924 -0.813 -4.504 137 HD2 LYS 17 2HD LYS 17 -6.149 -0.105 -2.266 138 HD3 LYS 17 3HD LYS 17 -4.495 -0.060 -2.879 139 HE2 LYS 17 2HE LYS 17 -6.771 1.552 -4.022 140 HE3 LYS 17 3HE LYS 17 -5.638 2.160 -2.816 141 HZ1 LYS 17 1HZ LYS 17 -4.134 2.552 -4.380 142 HZ2 LYS 17 2HZ LYS 17 -5.323 2.233 -5.538 143 HZ3 LYS 17 3HZ LYS 17 -4.281 0.999 -5.034 144 H CYS 18 H CYS 18 -3.259 -3.837 -5.026 145 HA CYS 18 HA CYS 18 -3.258 -6.322 -3.461 146 HB2 CYS 18 2HB CYS 18 -2.074 -5.911 -6.206 147 HB3 CYS 18 3HB CYS 18 -1.575 -7.224 -5.144 148 H GLN 19 H GLN 19 -1.360 -6.759 -2.336 149 HA GLN 19 HA GLN 19 1.035 -5.282 -2.636 150 HB2 GLN 19 2HB GLN 19 0.972 -3.900 -0.660 151 HB3 GLN 19 3HB GLN 19 -0.404 -3.499 -1.679 152 HG2 GLN 19 2HG GLN 19 -0.954 -5.560 0.321 153 HG3 GLN 19 3HG GLN 19 -0.516 -3.990 0.992 154 HE21 GLN 19 1HE2 GLN 19 -2.633 -5.484 -1.419 155 HE22 GLN 19 2HE2 GLN 19 -3.951 -4.389 -1.196 156 H ARG 20 H ARG 20 1.972 -5.351 -0.003 157 HA ARG 20 HA ARG 20 2.435 -8.183 0.281 158 HB2 ARG 20 2HB ARG 20 4.013 -7.506 2.059 159 HB3 ARG 20 3HB ARG 20 4.304 -6.661 0.545 160 HG2 ARG 20 2HG ARG 20 2.509 -5.285 2.421 161 HG3 ARG 20 3HG ARG 20 4.180 -5.465 2.958 162 HD2 ARG 20 2HD ARG 20 4.773 -3.772 1.652 163 HD3 ARG 20 3HD ARG 20 4.240 -4.683 0.240 164 HE ARG 20 HE ARG 20 1.936 -3.652 1.150 165 HH11 ARG 20 1HH1 ARG 20 5.047 -2.222 0.522 166 HH12 ARG 20 2HH1 ARG 20 4.397 -0.668 0.116 167 HH21 ARG 20 1HH2 ARG 20 1.067 -1.611 0.617 168 HH22 ARG 20 2HH2 ARG 20 2.133 -0.322 0.171 169 H ALA 21 H ALA 21 1.697 -9.518 1.850 170 HA ALA 21 HA ALA 21 -0.700 -9.058 3.132 171 HB1 ALA 21 1HB ALA 21 1.464 -11.051 3.418 172 HB2 ALA 21 2HB ALA 21 0.315 -10.929 4.751 173 HB3 ALA 21 3HB ALA 21 -0.259 -11.279 3.121 174 H1 GLY 33 H GLY 33 -10.296 -20.652 4.235 175 HA2 GLY 33 2HA GLY 33 -10.997 -20.828 1.908 176 HA3 GLY 33 3HA GLY 33 -10.455 -22.499 1.937 177 H SER 34 H SER 34 -12.955 -20.270 2.943 178 HA SER 34 HA SER 34 -14.758 -22.564 3.300 179 HB2 SER 34 2HB SER 34 -14.193 -21.788 5.535 180 HB3 SER 34 3HB SER 34 -14.596 -20.129 5.092 181 HG SER 34 HG SER 34 -16.582 -20.573 5.568 182 H LYS 35 H LYS 35 -15.060 -19.018 3.462 183 HA LYS 35 HA LYS 35 -17.086 -19.191 1.328 184 HB2 LYS 35 2HB LYS 35 -17.220 -18.035 3.968 185 HB3 LYS 35 3HB LYS 35 -17.488 -16.797 2.748 186 HG2 LYS 35 2HG LYS 35 -19.263 -18.172 1.760 187 HG3 LYS 35 3HG LYS 35 -19.009 -19.382 3.020 188 HD2 LYS 35 2HD LYS 35 -19.827 -17.978 4.697 189 HD3 LYS 35 3HD LYS 35 -19.612 -16.527 3.715 190 HE2 LYS 35 2HE LYS 35 -21.510 -18.674 2.854 191 HE3 LYS 35 3HE LYS 35 -21.995 -17.494 4.070 192 HZ1 LYS 35 1HZ LYS 35 -20.951 -15.924 2.164 193 HZ2 LYS 35 2HZ LYS 35 -22.597 -16.291 2.299 194 HZ3 LYS 35 3HZ LYS 35 -21.622 -17.161 1.225 195 H LYS 36 H LYS 36 -17.191 -17.464 -0.172 196 HA LYS 36 HA LYS 36 -14.690 -15.917 -0.363 197 HB2 LYS 36 2HB LYS 36 -15.212 -15.860 -2.842 198 HB3 LYS 36 3HB LYS 36 -14.753 -17.428 -2.189 199 HG2 LYS 36 2HG LYS 36 -16.805 -18.328 -2.532 200 HG3 LYS 36 3HG LYS 36 -17.644 -16.797 -2.274 201 HD2 LYS 36 2HD LYS 36 -17.190 -16.055 -4.453 202 HD3 LYS 36 3HD LYS 36 -15.928 -17.266 -4.695 203 HE2 LYS 36 2HE LYS 36 -17.399 -18.847 -5.318 204 HE3 LYS 36 3HE LYS 36 -18.572 -18.376 -4.089 205 HZ1 LYS 36 1HZ LYS 36 -19.694 -17.744 -5.936 206 HZ2 LYS 36 2HZ LYS 36 -18.297 -17.454 -6.845 207 HZ3 LYS 36 3HZ LYS 36 -18.812 -16.319 -5.701 208 HA PRO 37 HA PRO 37 -18.071 -12.832 0.260 209 HB2 PRO 37 2HB PRO 37 -16.587 -11.203 1.846 210 HB3 PRO 37 3HB PRO 37 -17.488 -12.589 2.469 211 HG2 PRO 37 2HG PRO 37 -14.576 -12.363 1.813 212 HG3 PRO 37 3HG PRO 37 -15.352 -13.127 3.213 213 HD2 PRO 37 2HD PRO 37 -14.443 -14.548 1.094 214 HD3 PRO 37 3HD PRO 37 -15.859 -15.047 2.042 215 H VAL 38 H VAL 38 -14.993 -12.900 -1.152 216 HA VAL 38 HA VAL 38 -15.612 -10.553 -2.743 217 HB VAL 38 HB VAL 38 -13.742 -10.397 -0.593 218 HG11 VAL 38 1HG1 VAL 38 -11.746 -9.645 -1.753 219 HG12 VAL 38 2HG1 VAL 38 -12.112 -11.316 -2.188 220 HG13 VAL 38 3HG1 VAL 38 -12.490 -10.008 -3.310 221 HG21 VAL 38 1HG2 VAL 38 -14.709 -8.395 -0.803 222 HG22 VAL 38 2HG2 VAL 38 -13.514 -8.075 -2.060 223 HG23 VAL 38 3HG2 VAL 38 -15.114 -8.676 -2.497 224 HA PRO 39 HA PRO 39 -13.726 -12.895 -5.943 225 HB2 PRO 39 2HB PRO 39 -12.794 -10.922 -7.558 226 HB3 PRO 39 3HB PRO 39 -14.513 -11.307 -7.404 227 HG2 PRO 39 2HG PRO 39 -12.934 -9.128 -6.092 228 HG3 PRO 39 3HG PRO 39 -14.548 -9.055 -6.824 229 HD2 PRO 39 2HD PRO 39 -14.169 -9.237 -4.149 230 HD3 PRO 39 3HD PRO 39 -15.570 -9.960 -4.967 231 H ILE 40 H ILE 40 -11.671 -10.070 -5.188 232 HA ILE 40 HA ILE 40 -9.258 -11.423 -5.855 233 HB ILE 40 HB ILE 40 -8.125 -9.479 -4.806 234 HG12 ILE 40 2HG1 ILE 40 -10.024 -7.596 -4.367 235 HG13 ILE 40 3HG1 ILE 40 -10.871 -9.031 -3.800 236 HG21 ILE 40 1HG2 ILE 40 -9.361 -7.744 -6.332 237 HG22 ILE 40 2HG2 ILE 40 -8.488 -9.102 -7.040 238 HG23 ILE 40 3HG2 ILE 40 -10.243 -9.170 -6.879 239 HD11 ILE 40 1HD1 ILE 40 -8.438 -7.711 -2.718 240 HD12 ILE 40 2HD1 ILE 40 -9.862 -8.324 -1.878 241 HD13 ILE 40 3HD1 ILE 40 -8.647 -9.447 -2.488 242 H ILE 41 H ILE 41 -7.928 -12.623 -4.641 243 HA ILE 41 HA ILE 41 -8.719 -13.166 -1.880 244 HB ILE 41 HB ILE 41 -8.023 -15.254 -2.214 245 HG12 ILE 41 2HG1 ILE 41 -5.672 -15.482 -3.550 246 HG13 ILE 41 3HG1 ILE 41 -5.520 -13.847 -2.916 247 HG21 ILE 41 1HG2 ILE 41 -9.026 -14.703 -4.436 248 HG22 ILE 41 2HG2 ILE 41 -7.392 -14.449 -5.046 249 HG23 ILE 41 3HG2 ILE 41 -7.878 -16.041 -4.465 250 HD11 ILE 41 1HD1 ILE 41 -4.534 -15.598 -1.469 251 HD12 ILE 41 2HD1 ILE 41 -5.776 -14.630 -0.673 252 HD13 ILE 41 3HD1 ILE 41 -6.152 -16.258 -1.236 253 H ALA 42 H ALA 42 -7.300 -13.023 -0.137 254 HA ALA 42 HA ALA 42 -4.797 -11.551 -0.632 255 HB1 ALA 42 1HB ALA 42 -7.058 -10.537 0.650 256 HB2 ALA 42 2HB ALA 42 -5.922 -10.920 1.944 257 HB3 ALA 42 3HB ALA 42 -5.436 -9.842 0.636 258 H CYS 43 H CYS 43 -3.038 -12.404 0.284 259 HA CYS 43 HA CYS 43 -3.374 -14.723 2.025 260 HB2 CYS 43 2HB CYS 43 -0.915 -13.624 0.646 261 HB3 CYS 43 3HB CYS 43 -0.967 -15.108 1.593 262 H ASN 44 H ASN 44 -1.374 -14.903 3.638 263 HA ASN 44 HA ASN 44 -1.024 -12.347 5.034 264 HB2 ASN 44 2HB ASN 44 -1.844 -13.097 7.056 265 HB3 ASN 44 3HB ASN 44 -2.914 -13.948 5.946 266 HD21 ASN 44 1HD2 ASN 44 -1.050 -15.887 5.070 267 HD22 ASN 44 2HD2 ASN 44 -0.761 -16.970 6.385 268 H ARG 45 H ARG 45 0.694 -12.459 6.712 269 HA ARG 45 HA ARG 45 2.932 -14.023 5.687 270 HB2 ARG 45 2HB ARG 45 3.025 -11.940 7.865 271 HB3 ARG 45 3HB ARG 45 4.353 -12.527 6.872 272 HG2 ARG 45 2HG ARG 45 3.507 -11.412 4.945 273 HG3 ARG 45 3HG ARG 45 2.004 -11.003 5.775 274 HD2 ARG 45 2HD ARG 45 3.731 -9.154 5.561 275 HD3 ARG 45 3HD ARG 45 3.076 -9.445 7.172 276 HE ARG 45 HE ARG 45 5.456 -10.933 6.757 277 HH11 ARG 45 1HH1 ARG 45 4.284 -7.721 7.412 278 HH12 ARG 45 2HH1 ARG 45 5.731 -7.217 8.221 279 HH21 ARG 45 1HH2 ARG 45 7.366 -10.281 7.819 280 HH22 ARG 45 2HH2 ARG 45 7.484 -8.674 8.451 281 H ARG 46 H ARG 46 2.129 -16.054 6.528 282 HA ARG 46 HA ARG 46 2.813 -16.394 9.367 283 HB2 ARG 46 2HB ARG 46 0.340 -17.232 7.928 284 HB3 ARG 46 3HB ARG 46 0.982 -18.308 9.162 285 HG2 ARG 46 2HG ARG 46 0.462 -15.403 9.700 286 HG3 ARG 46 3HG ARG 46 -0.790 -16.635 9.876 287 HD2 ARG 46 2HD ARG 46 0.138 -17.499 11.746 288 HD3 ARG 46 3HD ARG 46 1.785 -17.233 11.176 289 HE ARG 46 HE ARG 46 1.796 -15.203 12.243 290 HH11 ARG 46 1HH1 ARG 46 -1.469 -16.399 12.066 291 HH12 ARG 46 2HH1 ARG 46 -2.112 -15.177 13.112 292 HH21 ARG 46 1HH2 ARG 46 0.961 -13.589 13.621 293 HH22 ARG 46 2HH2 ARG 46 -0.729 -13.578 13.995 294 H THR 47 H THR 47 1.703 -18.686 6.900 295 HA THR 47 HA THR 47 4.377 -19.853 6.747 296 HB THR 47 HB THR 47 3.331 -21.099 8.559 297 HG1 THR 47 HG1 THR 47 3.441 -23.206 7.527 298 HG21 THR 47 1HG2 THR 47 1.144 -21.517 8.585 299 HG22 THR 47 2HG2 THR 47 1.315 -22.544 7.162 300 HG23 THR 47 3HG2 THR 47 0.993 -20.821 6.972 301 H GLY 48 H GLY 48 1.956 -18.587 5.120 302 HA2 GLY 48 2HA GLY 48 2.021 -18.664 2.704 303 HA3 GLY 48 3HA GLY 48 2.358 -20.385 2.817 304 H LYS 49 H LYS 49 -0.146 -18.091 3.910 305 HA LYS 49 HA LYS 49 -2.163 -20.092 3.128 306 HB2 LYS 49 2HB LYS 49 -1.953 -18.249 5.440 307 HB3 LYS 49 3HB LYS 49 -3.557 -18.452 4.747 308 HG2 LYS 49 2HG LYS 49 -3.281 -20.915 5.008 309 HG3 LYS 49 3HG LYS 49 -1.774 -20.598 5.872 310 HD2 LYS 49 2HD LYS 49 -4.402 -19.389 6.702 311 HD3 LYS 49 3HD LYS 49 -3.850 -20.959 7.293 312 HE2 LYS 49 2HE LYS 49 -1.910 -18.743 7.481 313 HE3 LYS 49 3HE LYS 49 -3.325 -18.622 8.526 314 HZ1 LYS 49 1HZ LYS 49 -2.768 -20.550 9.644 315 HZ2 LYS 49 2HZ LYS 49 -1.254 -19.840 9.386 316 HZ3 LYS 49 3HZ LYS 49 -1.765 -21.121 8.406 317 H CYS 50 H CYS 50 -4.102 -19.343 2.143 318 HA CYS 50 HA CYS 50 -4.162 -16.588 1.199 319 HB2 CYS 50 2HB CYS 50 -3.819 -18.989 -0.567 320 HB3 CYS 50 3HB CYS 50 -4.692 -17.579 -1.158 321 H GLN 51 H GLN 51 -6.189 -15.812 0.990 322 HA GLN 51 HA GLN 51 -8.443 -17.591 0.631 323 HB2 GLN 51 2HB GLN 51 -9.601 -16.639 2.671 324 HB3 GLN 51 3HB GLN 51 -8.306 -17.786 2.989 325 HG2 GLN 51 2HG GLN 51 -7.449 -14.989 2.902 326 HG3 GLN 51 3HG GLN 51 -8.588 -15.369 4.193 327 HE21 GLN 51 1HE2 GLN 51 -5.465 -16.136 2.814 328 HE22 GLN 51 2HE2 GLN 51 -4.796 -16.851 4.238 329 H ARG 52 H ARG 52 -10.543 -16.051 1.073 330 HA ARG 52 HA ARG 52 -10.222 -13.935 -0.884 331 HB2 ARG 52 2HB ARG 52 -12.646 -15.078 0.510 332 HB3 ARG 52 3HB ARG 52 -12.724 -13.749 -0.640 333 HG2 ARG 52 2HG ARG 52 -13.150 -15.446 -2.068 334 HG3 ARG 52 3HG ARG 52 -11.388 -15.497 -2.138 335 HD2 ARG 52 2HD ARG 52 -11.571 -17.154 -0.179 336 HD3 ARG 52 3HD ARG 52 -13.268 -17.287 -0.636 337 HE ARG 52 HE ARG 52 -12.629 -18.592 -2.391 338 HH11 ARG 52 1HH1 ARG 52 -9.886 -16.719 -1.347 339 HH12 ARG 52 2HH1 ARG 52 -8.779 -17.495 -2.430 340 HH21 ARG 52 1HH2 ARG 52 -11.181 -19.620 -3.822 341 HH22 ARG 52 2HH2 ARG 52 -9.516 -19.144 -3.838 342 H ALA 53 H ALA 53 -10.113 -11.823 -0.457 343 HA ALA 53 HA ALA 53 -9.965 -9.867 0.700 344 HB1 ALA 53 1HB ALA 53 -12.249 -9.724 0.908 345 HB2 ALA 53 2HB ALA 53 -12.360 -11.181 1.896 346 HB3 ALA 53 3HB ALA 53 -11.752 -9.682 2.600 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.680 -2.785 -2.293 2 HA2 GLY 1 2HA GLY 1 1.125 -1.117 -4.587 3 HA3 GLY 1 3HA GLY 1 1.039 -0.636 -2.899 4 H SER 2 H SER 2 3.000 -0.049 -1.811 5 HA SER 2 HA SER 2 4.955 1.103 -3.666 6 HB2 SER 2 2HB SER 2 4.356 1.710 -0.762 7 HB3 SER 2 3HB SER 2 5.643 2.480 -1.690 8 HG SER 2 HG SER 2 3.816 3.776 -1.762 9 H LYS 3 H LYS 3 4.889 -0.573 -0.521 10 HA LYS 3 HA LYS 3 7.572 -1.628 -1.135 11 HB2 LYS 3 2HB LYS 3 6.855 -0.105 1.030 12 HB3 LYS 3 3HB LYS 3 6.705 -1.737 1.669 13 HG2 LYS 3 2HG LYS 3 9.169 -0.988 0.173 14 HG3 LYS 3 3HG LYS 3 8.963 -0.437 1.837 15 HD2 LYS 3 2HD LYS 3 8.251 -3.183 1.731 16 HD3 LYS 3 3HD LYS 3 9.796 -2.991 0.898 17 HE2 LYS 3 2HE LYS 3 9.140 -2.038 3.684 18 HE3 LYS 3 3HE LYS 3 10.131 -3.436 3.270 19 HZ1 LYS 3 1HZ LYS 3 10.792 -0.610 3.201 20 HZ2 LYS 3 2HZ LYS 3 11.380 -1.528 1.908 21 HZ3 LYS 3 3HZ LYS 3 11.784 -1.949 3.496 22 H LYS 4 H LYS 4 7.923 -3.792 -1.004 23 HA LYS 4 HA LYS 4 5.607 -5.470 -0.291 24 HB2 LYS 4 2HB LYS 4 6.565 -7.132 -1.921 25 HB3 LYS 4 3HB LYS 4 5.942 -5.656 -2.644 26 HG2 LYS 4 2HG LYS 4 8.805 -5.633 -1.960 27 HG3 LYS 4 3HG LYS 4 8.325 -6.735 -3.252 28 HD2 LYS 4 2HD LYS 4 7.529 -5.004 -4.596 29 HD3 LYS 4 3HD LYS 4 7.398 -3.884 -3.238 30 HE2 LYS 4 2HE LYS 4 9.929 -4.034 -3.070 31 HE3 LYS 4 3HE LYS 4 9.883 -4.835 -4.640 32 HZ1 LYS 4 1HZ LYS 4 10.268 -2.520 -4.975 33 HZ2 LYS 4 2HZ LYS 4 8.946 -2.090 -4.011 34 HZ3 LYS 4 3HZ LYS 4 8.694 -2.857 -5.498 35 HA PRO 5 HA PRO 5 9.011 -6.522 2.645 36 HB2 PRO 5 2HB PRO 5 7.364 -6.842 4.780 37 HB3 PRO 5 3HB PRO 5 8.016 -5.272 4.296 38 HG2 PRO 5 2HG PRO 5 5.321 -6.453 3.748 39 HG3 PRO 5 3HG PRO 5 5.740 -4.801 4.237 40 HD2 PRO 5 2HD PRO 5 5.173 -5.462 1.673 41 HD3 PRO 5 3HD PRO 5 6.329 -4.182 2.096 42 H VAL 6 H VAL 6 5.855 -7.989 2.064 43 HA VAL 6 HA VAL 6 6.886 -10.600 2.915 44 HB VAL 6 HB VAL 6 4.327 -9.367 3.087 45 HG11 VAL 6 1HG1 VAL 6 3.856 -10.330 0.892 46 HG12 VAL 6 2HG1 VAL 6 4.315 -11.926 1.489 47 HG13 VAL 6 3HG1 VAL 6 2.898 -11.111 2.150 48 HG21 VAL 6 1HG2 VAL 6 4.102 -11.983 3.996 49 HG22 VAL 6 2HG2 VAL 6 5.810 -11.590 4.196 50 HG23 VAL 6 3HG2 VAL 6 4.578 -10.573 4.944 51 HA PRO 7 HA PRO 7 7.399 -12.079 -1.190 52 HB2 PRO 7 2HB PRO 7 6.844 -14.714 -0.843 53 HB3 PRO 7 3HB PRO 7 8.331 -13.960 -0.256 54 HG2 PRO 7 2HG PRO 7 5.824 -14.620 1.240 55 HG3 PRO 7 3HG PRO 7 7.512 -14.844 1.733 56 HD2 PRO 7 2HD PRO 7 6.004 -12.770 2.602 57 HD3 PRO 7 3HD PRO 7 7.757 -12.637 2.350 58 H ILE 8 H ILE 8 4.528 -13.501 0.388 59 HA ILE 8 HA ILE 8 3.141 -13.923 -2.059 60 HB ILE 8 HB ILE 8 1.299 -14.631 -0.772 61 HG12 ILE 8 2HG1 ILE 8 1.667 -12.438 0.750 62 HG13 ILE 8 3HG1 ILE 8 0.644 -13.785 1.236 63 HG21 ILE 8 1HG2 ILE 8 2.331 -16.065 0.993 64 HG22 ILE 8 2HG2 ILE 8 3.120 -16.164 -0.580 65 HG23 ILE 8 3HG2 ILE 8 3.852 -15.217 0.715 66 HD11 ILE 8 1HD1 ILE 8 2.336 -12.844 2.918 67 HD12 ILE 8 2HD1 ILE 8 2.215 -14.594 2.736 68 HD13 ILE 8 3HD1 ILE 8 3.540 -13.718 1.971 69 H ILE 9 H ILE 9 0.796 -12.992 -2.212 70 HA ILE 9 HA ILE 9 0.856 -10.102 -1.664 71 HB ILE 9 HB ILE 9 0.872 -9.590 -3.822 72 HG12 ILE 9 2HG1 ILE 9 -1.161 -11.325 -4.943 73 HG13 ILE 9 3HG1 ILE 9 -1.711 -10.599 -3.437 74 HG21 ILE 9 1HG2 ILE 9 2.264 -11.548 -4.124 75 HG22 ILE 9 2HG2 ILE 9 0.837 -12.560 -4.337 76 HG23 ILE 9 3HG2 ILE 9 1.228 -11.325 -5.533 77 HD11 ILE 9 1HD1 ILE 9 -0.712 -9.151 -5.876 78 HD12 ILE 9 2HD1 ILE 9 -2.371 -9.218 -5.280 79 HD13 ILE 9 3HD1 ILE 9 -1.132 -8.379 -4.347 80 H ALA 10 H ALA 10 -1.137 -9.116 -1.301 81 HA ALA 10 HA ALA 10 -3.463 -10.909 -1.120 82 HB1 ALA 10 1HB ALA 10 -3.755 -10.573 1.068 83 HB2 ALA 10 2HB ALA 10 -2.084 -10.008 1.075 84 HB3 ALA 10 3HB ALA 10 -3.407 -8.849 0.940 85 H CYS 11 H CYS 11 -5.223 -10.139 -2.090 86 HA CYS 11 HA CYS 11 -5.214 -7.355 -2.989 87 HB2 CYS 11 2HB CYS 11 -6.908 -9.718 -3.819 88 HB3 CYS 11 3HB CYS 11 -7.081 -8.093 -4.474 89 H ASN 12 H ASN 12 -7.495 -6.358 -3.122 90 HA ASN 12 HA ASN 12 -9.077 -7.011 -0.740 91 HB2 ASN 12 2HB ASN 12 -8.997 -4.882 0.156 92 HB3 ASN 12 3HB ASN 12 -7.368 -5.024 -0.498 93 HD21 ASN 12 1HD2 ASN 12 -8.060 -4.715 -3.227 94 HD22 ASN 12 2HD2 ASN 12 -8.528 -3.069 -3.465 95 H ARG 13 H ARG 13 -11.226 -5.936 -0.758 96 HA ARG 13 HA ARG 13 -12.323 -6.033 -3.456 97 HB2 ARG 13 2HB ARG 13 -14.528 -5.980 -2.244 98 HB3 ARG 13 3HB ARG 13 -13.509 -7.364 -1.875 99 HG2 ARG 13 2HG ARG 13 -13.333 -6.809 0.282 100 HG3 ARG 13 3HG ARG 13 -13.114 -5.095 -0.078 101 HD2 ARG 13 2HD ARG 13 -15.272 -4.642 0.284 102 HD3 ARG 13 3HD ARG 13 -15.805 -6.032 -0.660 103 HE ARG 13 HE ARG 13 -16.019 -7.231 1.282 104 HH11 ARG 13 1HH1 ARG 13 -14.181 -4.341 1.907 105 HH12 ARG 13 2HH1 ARG 13 -14.193 -4.548 3.627 106 HH21 ARG 13 1HH2 ARG 13 -16.042 -7.515 3.546 107 HH22 ARG 13 2HH2 ARG 13 -15.251 -6.354 4.558 108 H ARG 14 H ARG 14 -11.391 -3.982 -4.100 109 HA ARG 14 HA ARG 14 -13.046 -1.721 -3.209 110 HB2 ARG 14 2HB ARG 14 -10.074 -1.907 -3.385 111 HB3 ARG 14 3HB ARG 14 -10.836 -0.381 -3.815 112 HG2 ARG 14 2HG ARG 14 -11.397 -1.772 -1.216 113 HG3 ARG 14 3HG ARG 14 -10.053 -0.647 -1.420 114 HD2 ARG 14 2HD ARG 14 -12.270 0.653 -2.506 115 HD3 ARG 14 3HD ARG 14 -12.863 -0.112 -1.032 116 HE ARG 14 HE ARG 14 -11.159 2.151 -1.202 117 HH11 ARG 14 1HH1 ARG 14 -11.777 -0.708 0.687 118 HH12 ARG 14 2HH1 ARG 14 -11.138 -0.037 2.151 119 HH21 ARG 14 1HH2 ARG 14 -10.316 3.045 0.720 120 HH22 ARG 14 2HH2 ARG 14 -10.308 2.099 2.169 121 H THR 15 H THR 15 -10.436 -1.988 -5.598 122 HA THR 15 HA THR 15 -12.340 -1.815 -7.790 123 HB THR 15 HB THR 15 -11.999 0.535 -7.243 124 HG1 THR 15 HG1 THR 15 -10.808 1.042 -9.357 125 HG21 THR 15 1HG2 THR 15 -10.014 1.480 -6.747 126 HG22 THR 15 2HG2 THR 15 -9.162 0.586 -8.006 127 HG23 THR 15 3HG2 THR 15 -9.494 -0.179 -6.453 128 H GLY 16 H GLY 16 -9.984 -3.464 -6.606 129 HA2 GLY 16 2HA GLY 16 -8.854 -5.120 -7.917 130 HA3 GLY 16 3HA GLY 16 -8.741 -3.954 -9.227 131 H LYS 17 H LYS 17 -7.815 -3.936 -5.784 132 HA LYS 17 HA LYS 17 -5.061 -3.331 -6.620 133 HB2 LYS 17 2HB LYS 17 -6.835 -1.795 -4.784 134 HB3 LYS 17 3HB LYS 17 -5.131 -1.915 -4.365 135 HG2 LYS 17 2HG LYS 17 -4.613 -1.063 -6.672 136 HG3 LYS 17 3HG LYS 17 -6.337 -0.730 -6.850 137 HD2 LYS 17 2HD LYS 17 -4.768 0.326 -4.518 138 HD3 LYS 17 3HD LYS 17 -4.810 1.180 -6.062 139 HE2 LYS 17 2HE LYS 17 -7.461 0.614 -5.591 140 HE3 LYS 17 3HE LYS 17 -6.840 0.966 -3.979 141 HZ1 LYS 17 1HZ LYS 17 -7.551 3.003 -4.881 142 HZ2 LYS 17 2HZ LYS 17 -6.793 2.719 -6.366 143 HZ3 LYS 17 3HZ LYS 17 -5.863 3.033 -4.988 144 H CYS 18 H CYS 18 -3.430 -4.128 -5.297 145 HA CYS 18 HA CYS 18 -4.240 -5.750 -2.992 146 HB2 CYS 18 2HB CYS 18 -2.215 -6.808 -4.944 147 HB3 CYS 18 3HB CYS 18 -3.130 -7.682 -3.719 148 H GLN 19 H GLN 19 -1.930 -6.765 -2.155 149 HA GLN 19 HA GLN 19 0.335 -5.103 -2.322 150 HB2 GLN 19 2HB GLN 19 0.262 -3.899 -0.260 151 HB3 GLN 19 3HB GLN 19 -1.232 -3.554 -1.120 152 HG2 GLN 19 2HG GLN 19 -1.732 -5.802 0.495 153 HG3 GLN 19 3HG GLN 19 -0.863 -4.636 1.492 154 HE21 GLN 19 1HE2 GLN 19 -3.514 -4.772 -0.860 155 HE22 GLN 19 2HE2 GLN 19 -4.528 -3.638 -0.040 156 H ARG 20 H ARG 20 1.210 -5.390 0.396 157 HA ARG 20 HA ARG 20 1.956 -8.182 0.304 158 HB2 ARG 20 2HB ARG 20 3.508 -7.635 2.085 159 HB3 ARG 20 3HB ARG 20 3.618 -6.425 0.813 160 HG2 ARG 20 2HG ARG 20 1.753 -5.833 3.021 161 HG3 ARG 20 3HG ARG 20 3.474 -5.823 3.414 162 HD2 ARG 20 2HD ARG 20 3.339 -4.445 1.023 163 HD3 ARG 20 3HD ARG 20 1.895 -3.919 1.886 164 HE ARG 20 HE ARG 20 4.144 -3.833 3.596 165 HH11 ARG 20 1HH1 ARG 20 2.692 -2.174 0.902 166 HH12 ARG 20 2HH1 ARG 20 3.387 -0.639 1.305 167 HH21 ARG 20 1HH2 ARG 20 5.065 -1.818 4.137 168 HH22 ARG 20 2HH2 ARG 20 4.738 -0.438 3.144 169 H ALA 21 H ALA 21 1.778 -9.614 2.134 170 HA ALA 21 HA ALA 21 -0.755 -9.959 3.124 171 HB1 ALA 21 1HB ALA 21 0.627 -11.170 5.070 172 HB2 ALA 21 2HB ALA 21 0.447 -11.848 3.451 173 HB3 ALA 21 3HB ALA 21 1.916 -10.971 3.883 174 H1 GLY 33 H GLY 33 -11.140 -20.166 2.644 175 HA2 GLY 33 2HA GLY 33 -10.563 -21.622 0.781 176 HA3 GLY 33 3HA GLY 33 -10.024 -22.811 1.957 177 H SER 34 H SER 34 -12.946 -21.060 2.562 178 HA SER 34 HA SER 34 -14.498 -23.462 1.846 179 HB2 SER 34 2HB SER 34 -14.148 -22.631 4.375 180 HB3 SER 34 3HB SER 34 -15.538 -21.633 3.947 181 HG SER 34 HG SER 34 -16.760 -23.386 3.737 182 H LYS 35 H LYS 35 -15.033 -20.017 2.611 183 HA LYS 35 HA LYS 35 -17.109 -19.940 0.543 184 HB2 LYS 35 2HB LYS 35 -16.990 -18.887 3.123 185 HB3 LYS 35 3HB LYS 35 -16.777 -17.493 2.071 186 HG2 LYS 35 2HG LYS 35 -18.895 -19.100 1.046 187 HG3 LYS 35 3HG LYS 35 -19.169 -18.814 2.766 188 HD2 LYS 35 2HD LYS 35 -18.465 -16.607 0.845 189 HD3 LYS 35 3HD LYS 35 -20.131 -17.097 1.162 190 HE2 LYS 35 2HE LYS 35 -18.160 -16.177 3.253 191 HE3 LYS 35 3HE LYS 35 -19.417 -15.172 2.534 192 HZ1 LYS 35 1HZ LYS 35 -20.853 -15.955 4.002 193 HZ2 LYS 35 2HZ LYS 35 -19.635 -16.880 4.723 194 HZ3 LYS 35 3HZ LYS 35 -20.580 -17.543 3.487 195 H LYS 36 H LYS 36 -17.181 -18.191 -0.972 196 HA LYS 36 HA LYS 36 -14.728 -16.651 -1.330 197 HB2 LYS 36 2HB LYS 36 -15.887 -18.335 -3.556 198 HB3 LYS 36 3HB LYS 36 -14.457 -17.315 -3.644 199 HG2 LYS 36 2HG LYS 36 -13.561 -18.830 -1.746 200 HG3 LYS 36 3HG LYS 36 -14.819 -19.947 -2.280 201 HD2 LYS 36 2HD LYS 36 -12.825 -18.733 -4.178 202 HD3 LYS 36 3HD LYS 36 -12.512 -20.239 -3.311 203 HE2 LYS 36 2HE LYS 36 -14.468 -21.256 -4.317 204 HE3 LYS 36 3HE LYS 36 -14.878 -19.739 -5.116 205 HZ1 LYS 36 1HZ LYS 36 -13.811 -21.017 -6.733 206 HZ2 LYS 36 2HZ LYS 36 -12.602 -21.543 -5.673 207 HZ3 LYS 36 3HZ LYS 36 -12.616 -19.939 -6.210 208 HA PRO 37 HA PRO 37 -18.559 -14.200 -2.131 209 HB2 PRO 37 2HB PRO 37 -17.679 -11.990 -0.822 210 HB3 PRO 37 3HB PRO 37 -18.488 -13.332 -0.004 211 HG2 PRO 37 2HG PRO 37 -15.563 -12.725 -0.210 212 HG3 PRO 37 3HG PRO 37 -16.498 -13.265 1.197 213 HD2 PRO 37 2HD PRO 37 -14.981 -14.953 -0.279 214 HD3 PRO 37 3HD PRO 37 -16.479 -15.468 0.522 215 H VAL 38 H VAL 38 -15.223 -12.930 -2.113 216 HA VAL 38 HA VAL 38 -15.844 -11.362 -4.511 217 HB VAL 38 HB VAL 38 -14.181 -10.900 -2.228 218 HG11 VAL 38 1HG1 VAL 38 -12.139 -10.137 -3.325 219 HG12 VAL 38 2HG1 VAL 38 -12.375 -11.870 -3.563 220 HG13 VAL 38 3HG1 VAL 38 -12.735 -10.741 -4.871 221 HG21 VAL 38 1HG2 VAL 38 -13.931 -8.705 -3.833 222 HG22 VAL 38 2HG2 VAL 38 -15.418 -9.434 -4.439 223 HG23 VAL 38 3HG2 VAL 38 -15.276 -9.009 -2.733 224 HA PRO 39 HA PRO 39 -13.591 -13.990 -7.214 225 HB2 PRO 39 2HB PRO 39 -12.626 -12.183 -8.995 226 HB3 PRO 39 3HB PRO 39 -14.329 -12.650 -8.928 227 HG2 PRO 39 2HG PRO 39 -12.982 -10.230 -7.791 228 HG3 PRO 39 3HG PRO 39 -14.528 -10.349 -8.651 229 HD2 PRO 39 2HD PRO 39 -14.371 -10.169 -5.954 230 HD3 PRO 39 3HD PRO 39 -15.658 -11.073 -6.778 231 H ILE 40 H ILE 40 -11.763 -10.975 -6.635 232 HA ILE 40 HA ILE 40 -9.233 -12.254 -6.937 233 HB ILE 40 HB ILE 40 -8.302 -10.119 -6.048 234 HG12 ILE 40 2HG1 ILE 40 -10.349 -8.328 -6.103 235 HG13 ILE 40 3HG1 ILE 40 -11.153 -9.723 -5.391 236 HG21 ILE 40 1HG2 ILE 40 -10.284 -10.064 -8.305 237 HG22 ILE 40 2HG2 ILE 40 -9.233 -8.698 -7.936 238 HG23 ILE 40 3HG2 ILE 40 -8.532 -10.252 -8.387 239 HD11 ILE 40 1HD1 ILE 40 -10.381 -8.885 -3.470 240 HD12 ILE 40 2HD1 ILE 40 -8.863 -9.645 -3.948 241 HD13 ILE 40 3HD1 ILE 40 -9.130 -7.932 -4.269 242 H ILE 41 H ILE 41 -8.111 -13.378 -5.494 243 HA ILE 41 HA ILE 41 -9.057 -13.510 -2.744 244 HB ILE 41 HB ILE 41 -7.972 -15.522 -2.537 245 HG12 ILE 41 2HG1 ILE 41 -6.110 -15.215 -4.836 246 HG13 ILE 41 3HG1 ILE 41 -5.772 -14.261 -3.396 247 HG21 ILE 41 1HG2 ILE 41 -9.603 -15.485 -4.481 248 HG22 ILE 41 2HG2 ILE 41 -8.188 -15.483 -5.533 249 HG23 ILE 41 3HG2 ILE 41 -8.465 -16.832 -4.431 250 HD11 ILE 41 1HD1 ILE 41 -4.620 -16.077 -2.779 251 HD12 ILE 41 2HD1 ILE 41 -6.203 -16.690 -2.301 252 HD13 ILE 41 3HD1 ILE 41 -5.516 -17.143 -3.861 253 H ALA 42 H ALA 42 -7.216 -13.790 -1.062 254 HA ALA 42 HA ALA 42 -4.962 -12.006 -1.551 255 HB1 ALA 42 1HB ALA 42 -5.488 -10.393 -0.039 256 HB2 ALA 42 2HB ALA 42 -7.122 -10.844 -0.529 257 HB3 ALA 42 3HB ALA 42 -6.440 -11.487 0.965 258 H CYS 43 H CYS 43 -3.159 -12.721 -0.597 259 HA CYS 43 HA CYS 43 -3.365 -15.028 1.178 260 HB2 CYS 43 2HB CYS 43 -0.975 -13.785 -0.200 261 HB3 CYS 43 3HB CYS 43 -0.922 -15.240 0.791 262 H ASN 44 H ASN 44 -1.681 -15.137 2.969 263 HA ASN 44 HA ASN 44 -1.253 -12.524 4.233 264 HB2 ASN 44 2HB ASN 44 -2.297 -13.081 6.223 265 HB3 ASN 44 3HB ASN 44 -3.354 -13.868 5.054 266 HD21 ASN 44 1HD2 ASN 44 -1.540 -16.006 4.450 267 HD22 ASN 44 2HD2 ASN 44 -1.529 -17.058 5.820 268 H ARG 45 H ARG 45 0.231 -12.721 6.160 269 HA ARG 45 HA ARG 45 2.442 -14.482 5.430 270 HB2 ARG 45 2HB ARG 45 3.732 -13.066 7.058 271 HB3 ARG 45 3HB ARG 45 3.076 -12.195 5.678 272 HG2 ARG 45 2HG ARG 45 2.024 -10.796 7.028 273 HG3 ARG 45 3HG ARG 45 1.165 -12.136 7.790 274 HD2 ARG 45 2HD ARG 45 2.747 -12.358 9.475 275 HD3 ARG 45 3HD ARG 45 3.995 -11.529 8.545 276 HE ARG 45 HE ARG 45 1.753 -9.864 9.234 277 HH11 ARG 45 1HH1 ARG 45 4.841 -11.095 10.268 278 HH12 ARG 45 2HH1 ARG 45 5.142 -9.787 11.363 279 HH21 ARG 45 1HH2 ARG 45 2.138 -8.136 10.672 280 HH22 ARG 45 2HH2 ARG 45 3.604 -8.104 11.593 281 H ARG 46 H ARG 46 1.380 -16.400 6.257 282 HA ARG 46 HA ARG 46 1.734 -16.657 9.165 283 HB2 ARG 46 2HB ARG 46 -0.631 -17.387 7.497 284 HB3 ARG 46 3HB ARG 46 -0.219 -18.419 8.859 285 HG2 ARG 46 2HG ARG 46 -0.559 -15.453 9.156 286 HG3 ARG 46 3HG ARG 46 -1.916 -16.576 9.265 287 HD2 ARG 46 2HD ARG 46 0.564 -16.931 10.919 288 HD3 ARG 46 3HD ARG 46 -0.750 -15.877 11.440 289 HE ARG 46 HE ARG 46 -0.706 -18.724 11.526 290 HH11 ARG 46 1HH1 ARG 46 -2.797 -15.974 11.097 291 HH12 ARG 46 2HH1 ARG 46 -4.212 -16.797 11.665 292 HH21 ARG 46 1HH2 ARG 46 -2.562 -19.819 12.275 293 HH22 ARG 46 2HH2 ARG 46 -4.077 -18.984 12.335 294 H THR 47 H THR 47 0.687 -18.983 6.707 295 HA THR 47 HA THR 47 3.261 -20.354 6.860 296 HB THR 47 HB THR 47 1.983 -21.418 8.632 297 HG1 THR 47 HG1 THR 47 1.922 -23.591 7.645 298 HG21 THR 47 1HG2 THR 47 -0.218 -20.934 7.004 299 HG22 THR 47 2HG2 THR 47 -0.210 -21.832 8.522 300 HG23 THR 47 3HG2 THR 47 -0.040 -22.688 6.990 301 H GLY 48 H GLY 48 1.124 -19.000 4.951 302 HA2 GLY 48 2HA GLY 48 1.330 -19.203 2.569 303 HA3 GLY 48 3HA GLY 48 1.612 -20.925 2.779 304 H LYS 49 H LYS 49 -0.915 -18.544 3.599 305 HA LYS 49 HA LYS 49 -2.882 -20.237 2.261 306 HB2 LYS 49 2HB LYS 49 -4.212 -20.635 4.080 307 HB3 LYS 49 3HB LYS 49 -2.644 -20.620 4.875 308 HG2 LYS 49 2HG LYS 49 -3.011 -18.241 5.455 309 HG3 LYS 49 3HG LYS 49 -4.630 -18.361 4.761 310 HD2 LYS 49 2HD LYS 49 -3.755 -20.300 6.864 311 HD3 LYS 49 3HD LYS 49 -4.293 -18.683 7.324 312 HE2 LYS 49 2HE LYS 49 -6.436 -19.032 6.359 313 HE3 LYS 49 3HE LYS 49 -5.909 -20.517 5.568 314 HZ1 LYS 49 1HZ LYS 49 -6.097 -21.707 7.467 315 HZ2 LYS 49 2HZ LYS 49 -7.253 -20.526 7.827 316 HZ3 LYS 49 3HZ LYS 49 -5.695 -20.409 8.476 317 H CYS 50 H CYS 50 -4.608 -19.130 1.408 318 HA CYS 50 HA CYS 50 -4.657 -16.219 1.854 319 HB2 CYS 50 2HB CYS 50 -5.321 -17.454 -0.806 320 HB3 CYS 50 3HB CYS 50 -4.906 -15.782 -0.442 321 H GLN 51 H GLN 51 -6.820 -15.475 0.469 322 HA GLN 51 HA GLN 51 -9.080 -17.140 0.654 323 HB2 GLN 51 2HB GLN 51 -10.185 -16.334 2.607 324 HB3 GLN 51 3HB GLN 51 -8.571 -16.831 3.099 325 HG2 GLN 51 2HG GLN 51 -8.402 -14.111 2.401 326 HG3 GLN 51 3HG GLN 51 -9.848 -14.298 3.392 327 HE21 GLN 51 1HE2 GLN 51 -6.426 -15.198 3.281 328 HE22 GLN 51 2HE2 GLN 51 -6.163 -15.094 4.985 329 H ARG 52 H ARG 52 -11.010 -15.170 1.334 330 HA ARG 52 HA ARG 52 -10.951 -13.624 -1.113 331 HB2 ARG 52 2HB ARG 52 -13.257 -12.959 -0.433 332 HB3 ARG 52 3HB ARG 52 -13.028 -14.698 -0.558 333 HG2 ARG 52 2HG ARG 52 -12.559 -13.571 2.113 334 HG3 ARG 52 3HG ARG 52 -14.218 -13.457 1.523 335 HD2 ARG 52 2HD ARG 52 -14.543 -15.598 2.006 336 HD3 ARG 52 3HD ARG 52 -13.241 -16.049 0.906 337 HE ARG 52 HE ARG 52 -11.940 -15.300 3.166 338 HH11 ARG 52 1HH1 ARG 52 -14.508 -17.550 2.488 339 HH12 ARG 52 2HH1 ARG 52 -14.082 -18.626 3.777 340 HH21 ARG 52 1HH2 ARG 52 -11.369 -16.709 4.867 341 HH22 ARG 52 2HH2 ARG 52 -12.297 -18.146 5.130 342 H ALA 53 H ALA 53 -11.104 -11.370 -1.248 343 HA ALA 53 HA ALA 53 -9.469 -9.852 0.333 344 HB1 ALA 53 1HB ALA 53 -11.593 -9.274 -1.611 345 HB2 ALA 53 2HB ALA 53 -11.230 -7.962 -0.489 346 HB3 ALA 53 3HB ALA 53 -9.951 -8.640 -1.497
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