NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
529240 | 2lo3 | 18192 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 42.564 -3.927 -13.450 2 H2 ASN 1 2H ASN 1 41.665 -2.903 -14.462 3 H3 ASN 1 3H ASN 1 41.010 -4.365 -13.975 4 HA ASN 1 HA ASN 1 40.932 -3.606 -11.713 5 HB2 ASN 1 1HB ASN 1 41.436 -1.262 -11.198 6 HB3 ASN 1 2HB ASN 1 42.868 -2.053 -11.829 7 HD21 ASN 1 2HD2 ASN 1 42.114 0.775 -11.734 8 HD22 ASN 1 1HD2 ASN 1 42.192 1.342 -13.362 9 HA PRO 2 HA PRO 2 37.033 -2.228 -13.195 10 HB2 PRO 2 1HB PRO 2 35.709 -1.875 -10.851 11 HB3 PRO 2 2HB PRO 2 36.055 -3.468 -11.521 12 HG2 PRO 2 1HG PRO 2 37.366 -2.037 -9.282 13 HG3 PRO 2 2HG PRO 2 37.141 -3.775 -9.525 14 HD2 PRO 2 1HD PRO 2 39.508 -2.340 -10.000 15 HD3 PRO 2 2HD PRO 2 39.137 -3.972 -10.580 16 H ASN 3 H ASN 3 37.772 -0.267 -14.073 17 HA ASN 3 HA ASN 3 37.828 2.047 -12.322 18 HB2 ASN 3 1HB ASN 3 38.595 3.363 -14.231 19 HB3 ASN 3 2HB ASN 3 39.546 1.896 -14.118 20 HD21 ASN 3 2HD2 ASN 3 37.238 3.689 -15.997 21 HD22 ASN 3 1HD2 ASN 3 37.316 2.706 -17.401 22 H ALA 4 H ALA 4 35.908 0.847 -15.005 23 HA ALA 4 HA ALA 4 33.748 2.643 -14.113 24 HB1 ALA 4 3HB ALA 4 34.294 1.614 -16.902 25 HB2 ALA 4 1HB ALA 4 34.568 3.264 -16.346 26 HB3 ALA 4 2HB ALA 4 32.926 2.619 -16.433 27 H GLN 5 H GLN 5 34.863 -0.343 -14.075 28 HA GLN 5 HA GLN 5 32.495 -1.835 -14.701 29 HB2 GLN 5 1HB GLN 5 34.699 -2.836 -15.082 30 HB3 GLN 5 2HB GLN 5 35.087 -2.633 -13.383 31 HG2 GLN 5 1HG GLN 5 33.416 -4.265 -12.772 32 HG3 GLN 5 2HG GLN 5 32.920 -4.423 -14.453 33 HE21 GLN 5 2HE2 GLN 5 36.292 -4.089 -13.576 34 HE22 GLN 5 1HE2 GLN 5 36.737 -5.707 -13.933 35 H LEU 6 H LEU 6 30.903 -2.245 -13.308 36 HA LEU 6 HA LEU 6 31.394 -1.789 -10.464 37 HB2 LEU 6 1HB LEU 6 29.908 -0.084 -11.285 38 HB3 LEU 6 2HB LEU 6 28.919 -1.269 -12.111 39 HG LEU 6 HG LEU 6 28.138 -2.149 -9.955 40 HD11 LEU 6 1HD1 LEU 6 29.796 0.036 -8.726 41 HD12 LEU 6 2HD1 LEU 6 30.101 -1.698 -8.612 42 HD13 LEU 6 3HD1 LEU 6 28.659 -1.007 -7.869 43 HD21 LEU 6 3HD2 LEU 6 26.893 -0.338 -11.021 44 HD22 LEU 6 1HD2 LEU 6 27.871 0.844 -10.157 45 HD23 LEU 6 2HD2 LEU 6 26.798 -0.236 -9.265 46 H ILE 7 H ILE 7 31.335 -3.574 -9.329 47 HA ILE 7 HA ILE 7 29.953 -5.908 -10.357 48 HB ILE 7 HB ILE 7 31.390 -5.544 -7.692 49 HG12 ILE 7 1HG1 ILE 7 32.991 -5.208 -9.524 50 HG13 ILE 7 2HG1 ILE 7 33.314 -6.720 -8.692 51 HG21 ILE 7 1HG2 ILE 7 30.583 -8.068 -9.129 52 HG22 ILE 7 2HG2 ILE 7 29.804 -7.386 -7.705 53 HG23 ILE 7 3HG2 ILE 7 31.463 -7.979 -7.600 54 HD11 ILE 7 3HD1 ILE 7 32.226 -7.944 -10.519 55 HD12 ILE 7 1HD1 ILE 7 33.572 -6.962 -11.095 56 HD13 ILE 7 2HD1 ILE 7 31.917 -6.417 -11.348 57 H GLU 8 H GLU 8 27.840 -5.624 -10.202 58 HA GLU 8 HA GLU 8 26.606 -3.905 -8.330 59 HB2 GLU 8 1HB GLU 8 25.715 -4.434 -10.586 60 HB3 GLU 8 2HB GLU 8 25.296 -6.044 -10.006 61 HG2 GLU 8 1HG GLU 8 23.345 -4.633 -9.984 62 HG3 GLU 8 2HG GLU 8 23.816 -4.995 -8.325 63 H ASP 9 H ASP 9 25.864 -4.263 -6.385 64 HA ASP 9 HA ASP 9 26.205 -6.694 -4.960 65 HB2 ASP 9 1HB ASP 9 24.370 -4.346 -4.338 66 HB3 ASP 9 2HB ASP 9 24.854 -5.593 -3.201 67 HA PRO 10 HA PRO 10 22.663 -8.443 -6.877 68 HB2 PRO 10 1HB PRO 10 22.416 -10.725 -5.453 69 HB3 PRO 10 2HB PRO 10 23.678 -10.470 -6.662 70 HG2 PRO 10 1HG PRO 10 23.856 -10.357 -3.691 71 HG3 PRO 10 2HG PRO 10 25.049 -10.937 -4.862 72 HD2 PRO 10 1HD PRO 10 25.110 -8.460 -3.636 73 HD3 PRO 10 2HD PRO 10 25.936 -8.867 -5.151 74 H LEU 11 H LEU 11 20.706 -7.733 -6.620 75 HA LEU 11 HA LEU 11 19.538 -7.677 -3.944 76 HB2 LEU 11 1HB LEU 11 19.542 -5.502 -5.135 77 HB3 LEU 11 2HB LEU 11 18.707 -6.244 -6.481 78 HG LEU 11 HG LEU 11 16.736 -6.621 -5.028 79 HD11 LEU 11 1HD1 LEU 11 18.320 -5.081 -2.984 80 HD12 LEU 11 2HD1 LEU 11 17.800 -6.767 -2.874 81 HD13 LEU 11 3HD1 LEU 11 16.607 -5.475 -2.865 82 HD21 LEU 11 3HD2 LEU 11 16.858 -4.629 -6.419 83 HD22 LEU 11 1HD2 LEU 11 17.702 -3.767 -5.132 84 HD23 LEU 11 2HD2 LEU 11 16.035 -4.282 -4.895 85 H ASP 12 H ASP 12 18.990 -9.767 -3.843 86 HA ASP 12 HA ASP 12 17.291 -10.765 -5.992 87 HB2 ASP 12 1HB ASP 12 18.888 -12.308 -3.933 88 HB3 ASP 12 2HB ASP 12 17.798 -13.049 -5.099 89 H LYS 13 H LYS 13 16.099 -9.078 -4.601 90 HA LYS 13 HA LYS 13 14.303 -10.613 -2.822 91 HB2 LYS 13 1HB LYS 13 15.023 -7.705 -2.646 92 HB3 LYS 13 2HB LYS 13 13.748 -8.507 -1.753 93 HG2 LYS 13 1HG LYS 13 15.483 -9.880 -0.619 94 HG3 LYS 13 2HG LYS 13 16.724 -8.991 -1.512 95 HD2 LYS 13 1HD LYS 13 16.512 -8.032 0.700 96 HD3 LYS 13 2HD LYS 13 15.876 -6.889 -0.489 97 HE2 LYS 13 1HE LYS 13 13.585 -7.677 0.036 98 HE3 LYS 13 2HE LYS 13 14.261 -8.742 1.265 99 HZ1 LYS 13 3HZ LYS 13 15.098 -6.760 2.413 100 HZ2 LYS 13 1HZ LYS 13 13.428 -6.712 2.207 101 HZ3 LYS 13 2HZ LYS 13 14.400 -5.787 1.217 102 HA PRO 14 HA PRO 14 11.450 -9.506 -6.009 103 HB2 PRO 14 1HB PRO 14 10.384 -11.693 -4.306 104 HB3 PRO 14 2HB PRO 14 10.158 -11.508 -6.084 105 HG2 PRO 14 1HG PRO 14 11.798 -13.325 -5.204 106 HG3 PRO 14 2HG PRO 14 12.442 -12.187 -6.409 107 HD2 PRO 14 1HD PRO 14 12.766 -12.150 -3.436 108 HD3 PRO 14 2HD PRO 14 13.999 -11.935 -4.703 109 H ILE 15 H ILE 15 10.190 -7.852 -5.299 110 HA ILE 15 HA ILE 15 9.426 -7.790 -2.506 111 HB ILE 15 HB ILE 15 9.123 -5.598 -4.579 112 HG12 ILE 15 1HG1 ILE 15 11.205 -5.918 -2.402 113 HG13 ILE 15 2HG1 ILE 15 11.496 -6.208 -4.112 114 HG21 ILE 15 1HG2 ILE 15 8.897 -5.538 -1.561 115 HG22 ILE 15 2HG2 ILE 15 7.552 -5.414 -2.695 116 HG23 ILE 15 3HG2 ILE 15 8.771 -4.138 -2.627 117 HD11 ILE 15 3HD1 ILE 15 12.363 -4.060 -3.421 118 HD12 ILE 15 1HD1 ILE 15 10.766 -3.577 -2.842 119 HD13 ILE 15 2HD1 ILE 15 11.035 -3.849 -4.566 120 H GLN 16 H GLN 16 7.399 -8.089 -1.904 121 HA GLN 16 HA GLN 16 5.596 -8.997 -3.980 122 HB2 GLN 16 1HB GLN 16 5.308 -9.164 -0.981 123 HB3 GLN 16 2HB GLN 16 4.226 -9.898 -2.157 124 HG2 GLN 16 1HG GLN 16 7.148 -10.541 -1.806 125 HG3 GLN 16 2HG GLN 16 5.803 -11.544 -1.283 126 HE21 GLN 16 2HE2 GLN 16 4.204 -11.091 -3.669 127 HE22 GLN 16 1HE2 GLN 16 4.967 -11.942 -4.947 128 H TYR 17 H TYR 17 3.270 -8.445 -3.904 129 HA TYR 17 HA TYR 17 2.851 -5.593 -3.227 130 HB2 TYR 17 1HB TYR 17 1.924 -6.834 -5.804 131 HB3 TYR 17 2HB TYR 17 1.999 -5.138 -5.380 132 HD1 TYR 17 HD1 TYR 17 4.187 -3.951 -5.471 133 HD2 TYR 17 HD2 TYR 17 3.774 -8.003 -6.685 134 HE1 TYR 17 HE1 TYR 17 6.345 -3.823 -6.652 135 HE2 TYR 17 HE2 TYR 17 5.908 -7.896 -7.851 136 HH TYR 17 HH TYR 17 8.128 -5.440 -7.380 137 H ARG 18 H ARG 18 0.734 -5.137 -2.729 138 HA ARG 18 HA ARG 18 -1.366 -6.918 -3.571 139 HB2 ARG 18 1HB ARG 18 -2.455 -7.122 -1.411 140 HB3 ARG 18 2HB ARG 18 -0.825 -7.750 -1.260 141 HG2 ARG 18 1HG ARG 18 -0.120 -5.944 0.035 142 HG3 ARG 18 2HG ARG 18 -1.482 -4.940 -0.466 143 HD2 ARG 18 1HD ARG 18 -1.685 -7.436 1.204 144 HD3 ARG 18 2HD ARG 18 -1.750 -5.788 1.837 145 HE ARG 18 HE ARG 18 -3.693 -6.193 -0.210 146 HH11 ARG 18 1HH1 ARG 18 -3.153 -6.986 3.197 147 HH12 ARG 18 2HH1 ARG 18 -4.823 -6.961 3.578 148 HH21 ARG 18 1HH2 ARG 18 -5.919 -6.230 0.310 149 HH22 ARG 18 2HH2 ARG 18 -6.420 -6.542 1.920 150 H VAL 19 H VAL 19 -3.337 -5.775 -3.718 151 HA VAL 19 HA VAL 19 -2.880 -2.933 -3.815 152 HB VAL 19 HB VAL 19 -5.177 -2.730 -4.718 153 HG11 VAL 19 1HG1 VAL 19 -3.348 -3.065 -6.263 154 HG12 VAL 19 2HG1 VAL 19 -4.796 -3.880 -6.842 155 HG13 VAL 19 3HG1 VAL 19 -3.497 -4.817 -6.097 156 HG21 VAL 19 3HG2 VAL 19 -6.460 -4.752 -5.301 157 HG22 VAL 19 1HG2 VAL 19 -6.249 -4.580 -3.560 158 HG23 VAL 19 2HG2 VAL 19 -5.270 -5.740 -4.457 159 H CYS 20 H CYS 20 -3.679 -1.419 -2.600 160 HA CYS 20 HA CYS 20 -4.458 -2.046 0.065 161 HB2 CYS 20 1HB CYS 20 -3.324 0.090 -0.613 162 HB3 CYS 20 2HB CYS 20 -4.794 0.557 -1.438 163 H GLU 21 H GLU 21 -6.445 -2.527 0.767 164 HA GLU 21 HA GLU 21 -8.477 -3.043 -1.030 165 HB2 GLU 21 1HB GLU 21 -9.911 -3.330 1.101 166 HB3 GLU 21 2HB GLU 21 -8.565 -4.405 0.808 167 HG2 GLU 21 1HG GLU 21 -8.695 -3.746 3.162 168 HG3 GLU 21 2HG GLU 21 -7.202 -3.192 2.434 169 H LYS 22 H LYS 22 -8.044 -0.173 0.907 170 HA LYS 22 HA LYS 22 -10.639 0.759 0.030 171 HB2 LYS 22 1HB LYS 22 -10.347 2.601 1.595 172 HB3 LYS 22 2HB LYS 22 -10.068 1.056 2.362 173 HG2 LYS 22 1HG LYS 22 -7.645 1.426 2.212 174 HG3 LYS 22 2HG LYS 22 -7.943 2.996 1.472 175 HD2 LYS 22 1HD LYS 22 -7.527 3.469 3.735 176 HD3 LYS 22 2HD LYS 22 -9.271 3.563 3.575 177 HE2 LYS 22 1HE LYS 22 -7.725 1.201 4.700 178 HE3 LYS 22 2HE LYS 22 -8.547 2.420 5.653 179 HZ1 LYS 22 3HZ LYS 22 -10.638 1.637 4.478 180 HZ2 LYS 22 1HZ LYS 22 -9.938 0.578 5.597 181 HZ3 LYS 22 2HZ LYS 22 -9.715 0.276 3.978 182 H CYS 23 H CYS 23 -7.282 1.451 -0.704 183 HA CYS 23 HA CYS 23 -8.129 3.785 -2.249 184 HB2 CYS 23 1HB CYS 23 -5.321 2.734 -1.906 185 HB3 CYS 23 2HB CYS 23 -5.794 4.283 -2.588 186 H GLY 24 H GLY 24 -7.049 0.471 -2.800 187 HA2 GLY 24 1HA GLY 24 -7.382 -0.747 -4.707 188 HA3 GLY 24 2HA GLY 24 -7.804 0.720 -5.568 189 H LYS 25 H LYS 25 -4.903 1.222 -4.029 190 HA LYS 25 HA LYS 25 -3.504 0.818 -6.559 191 HB2 LYS 25 1HB LYS 25 -2.785 2.455 -4.120 192 HB3 LYS 25 2HB LYS 25 -1.610 2.123 -5.380 193 HG2 LYS 25 1HG LYS 25 -2.552 4.307 -5.725 194 HG3 LYS 25 2HG LYS 25 -3.102 3.238 -7.010 195 HD2 LYS 25 1HD LYS 25 -5.181 2.886 -5.651 196 HD3 LYS 25 2HD LYS 25 -4.631 4.169 -4.600 197 HE2 LYS 25 1HE LYS 25 -4.619 5.767 -6.419 198 HE3 LYS 25 2HE LYS 25 -5.064 4.505 -7.566 199 HZ1 LYS 25 3HZ LYS 25 -7.182 4.255 -6.386 200 HZ2 LYS 25 1HZ LYS 25 -6.976 5.836 -6.924 201 HZ3 LYS 25 2HZ LYS 25 -6.745 5.466 -5.314 202 HA PRO 26 HA PRO 26 -1.333 -2.740 -5.065 203 HB2 PRO 26 1HB PRO 26 0.715 -2.802 -6.822 204 HB3 PRO 26 2HB PRO 26 -0.928 -3.260 -7.274 205 HG2 PRO 26 1HG PRO 26 0.520 -0.695 -7.786 206 HG3 PRO 26 2HG PRO 26 -0.572 -1.590 -8.857 207 HD2 PRO 26 1HD PRO 26 -1.330 0.612 -7.424 208 HD3 PRO 26 2HD PRO 26 -2.449 -0.676 -7.898 209 H LEU 27 H LEU 27 -0.242 -2.665 -3.253 210 HA LEU 27 HA LEU 27 1.858 -0.661 -2.880 211 HB2 LEU 27 1HB LEU 27 0.587 -2.364 -0.774 212 HB3 LEU 27 2HB LEU 27 1.501 -0.891 -0.569 213 HG LEU 27 HG LEU 27 -1.324 -1.202 -1.540 214 HD11 LEU 27 1HD1 LEU 27 -0.071 0.037 0.862 215 HD12 LEU 27 2HD1 LEU 27 -1.148 -1.359 0.795 216 HD13 LEU 27 3HD1 LEU 27 -1.757 0.256 0.438 217 HD21 LEU 27 3HD2 LEU 27 0.330 1.345 -1.461 218 HD22 LEU 27 1HD2 LEU 27 -1.417 1.256 -1.740 219 HD23 LEU 27 2HD2 LEU 27 -0.323 0.536 -2.896 220 H ALA 28 H ALA 28 3.845 -1.406 -2.924 221 HA ALA 28 HA ALA 28 4.494 -4.239 -2.662 222 HB1 ALA 28 3HB ALA 28 6.775 -3.446 -3.086 223 HB2 ALA 28 1HB ALA 28 6.226 -1.776 -2.999 224 HB3 ALA 28 2HB ALA 28 5.677 -2.816 -4.310 225 H LEU 29 H LEU 29 5.768 -5.026 -1.064 226 HA LEU 29 HA LEU 29 5.169 -4.242 1.542 227 HB2 LEU 29 1HB LEU 29 7.178 -6.082 0.373 228 HB3 LEU 29 2HB LEU 29 7.318 -5.680 2.068 229 HG LEU 29 HG LEU 29 5.268 -6.773 2.606 230 HD11 LEU 29 1HD1 LEU 29 3.878 -5.921 0.757 231 HD12 LEU 29 2HD1 LEU 29 3.711 -7.665 0.953 232 HD13 LEU 29 3HD1 LEU 29 4.703 -7.018 -0.352 233 HD21 LEU 29 3HD2 LEU 29 6.603 -8.325 0.446 234 HD22 LEU 29 1HD2 LEU 29 5.590 -9.007 1.722 235 HD23 LEU 29 2HD2 LEU 29 7.142 -8.248 2.130 236 H THR 30 H THR 30 7.751 -3.039 -0.437 237 HA THR 30 HA THR 30 9.221 -1.872 1.689 238 HB THR 30 HB THR 30 9.146 -1.050 -1.221 239 HG1 THR 30 HG1 THR 30 11.166 -2.632 -0.824 240 HG21 THR 30 3HG2 THR 30 11.481 -0.389 -0.806 241 HG22 THR 30 1HG2 THR 30 11.337 -0.917 0.872 242 HG23 THR 30 2HG2 THR 30 10.394 0.456 0.296 243 H ALA 31 H ALA 31 6.365 -0.957 -0.124 244 HA ALA 31 HA ALA 31 6.581 1.823 0.797 245 HB1 ALA 31 3HB ALA 31 5.058 2.381 -1.017 246 HB2 ALA 31 1HB ALA 31 4.964 0.682 -1.473 247 HB3 ALA 31 2HB ALA 31 6.493 1.552 -1.628 248 H ILE 32 H ILE 32 5.070 -1.004 1.600 249 HA ILE 32 HA ILE 32 2.407 -0.250 1.956 250 HB ILE 32 HB ILE 32 3.005 -2.614 2.143 251 HG12 ILE 32 1HG1 ILE 32 1.815 -3.274 4.221 252 HG13 ILE 32 2HG1 ILE 32 1.896 -1.604 4.769 253 HG21 ILE 32 1HG2 ILE 32 4.462 -1.909 4.671 254 HG22 ILE 32 2HG2 ILE 32 5.185 -2.441 3.152 255 HG23 ILE 32 3HG2 ILE 32 4.162 -3.542 4.080 256 HD11 ILE 32 3HD1 ILE 32 0.459 -2.575 2.316 257 HD12 ILE 32 1HD1 ILE 32 0.502 -0.918 2.915 258 HD13 ILE 32 2HD1 ILE 32 -0.287 -2.175 3.865 259 H VAL 33 H VAL 33 5.150 0.169 4.068 260 HA VAL 33 HA VAL 33 3.673 1.052 6.275 261 HB VAL 33 HB VAL 33 5.894 1.941 7.136 262 HG11 VAL 33 1HG1 VAL 33 6.801 -0.322 7.473 263 HG12 VAL 33 2HG1 VAL 33 5.775 -0.919 6.168 264 HG13 VAL 33 3HG1 VAL 33 5.047 -0.304 7.651 265 HG21 VAL 33 3HG2 VAL 33 6.953 2.388 4.970 266 HG22 VAL 33 1HG2 VAL 33 6.909 0.669 4.583 267 HG23 VAL 33 2HG2 VAL 33 7.915 1.245 5.907 268 H ASP 34 H ASP 34 5.414 2.986 3.816 269 HA ASP 34 HA ASP 34 4.628 5.420 5.057 270 HB2 ASP 34 1HB ASP 34 5.547 6.546 3.078 271 HB3 ASP 34 2HB ASP 34 6.658 5.348 3.713 272 H HIS 35 H HIS 35 3.331 3.493 2.416 273 HA HIS 35 HA HIS 35 1.371 5.374 1.720 274 HB2 HIS 35 1HB HIS 35 1.775 3.518 0.169 275 HB3 HIS 35 2HB HIS 35 1.313 2.350 1.400 276 HD1 HIS 35 HD1 HIS 35 -0.162 4.622 -1.168 277 HD2 HIS 35 HD2 HIS 35 -1.421 2.242 1.971 278 HE1 HIS 35 HE1 HIS 35 -2.655 4.492 -1.398 279 H LEU 36 H LEU 36 1.231 2.618 3.986 280 HA LEU 36 HA LEU 36 -1.437 3.003 4.715 281 HB2 LEU 36 1HB LEU 36 -0.101 0.957 5.146 282 HB3 LEU 36 2HB LEU 36 0.813 1.806 6.359 283 HG LEU 36 HG LEU 36 -2.169 1.348 6.629 284 HD11 LEU 36 1HD1 LEU 36 -1.621 -0.612 7.967 285 HD12 LEU 36 2HD1 LEU 36 0.088 -0.411 7.586 286 HD13 LEU 36 3HD1 LEU 36 -1.058 -0.815 6.308 287 HD21 LEU 36 3HD2 LEU 36 -1.136 3.015 8.133 288 HD22 LEU 36 1HD2 LEU 36 0.010 1.793 8.678 289 HD23 LEU 36 2HD2 LEU 36 -1.714 1.599 9.008 290 H GLU 37 H GLU 37 1.507 4.427 6.001 291 HA GLU 37 HA GLU 37 0.216 5.809 8.077 292 HB2 GLU 37 1HB GLU 37 2.847 6.237 6.716 293 HB3 GLU 37 2HB GLU 37 2.278 7.300 7.992 294 HG2 GLU 37 1HG GLU 37 2.729 4.336 8.231 295 HG3 GLU 37 2HG GLU 37 3.775 5.610 8.867 296 H ASN 38 H ASN 38 0.664 6.767 4.593 297 HA ASN 38 HA ASN 38 -0.190 9.403 5.438 298 HB2 ASN 38 1HB ASN 38 1.962 9.442 4.343 299 HB3 ASN 38 2HB ASN 38 1.335 8.468 3.024 300 HD21 ASN 38 2HD2 ASN 38 1.293 11.642 4.498 301 HD22 ASN 38 1HD2 ASN 38 0.733 12.470 3.089 302 H HIS 39 H HIS 39 -1.448 6.664 4.251 303 HA HIS 39 HA HIS 39 -2.720 7.895 2.247 304 HB2 HIS 39 1HB HIS 39 -3.892 5.882 1.655 305 HB3 HIS 39 2HB HIS 39 -2.296 5.521 2.301 306 HD2 HIS 39 HD2 HIS 39 -3.689 5.569 5.532 307 HE1 HIS 39 HE1 HIS 39 -5.411 1.994 4.071 308 HE2 HIS 39 HE2 HIS 39 -5.157 3.526 6.013 309 H CYS 40 H CYS 40 -5.236 8.170 2.077 310 HA CYS 40 HA CYS 40 -6.269 9.011 4.672 311 HB2 CYS 40 1HB CYS 40 -7.053 9.884 1.888 312 HB3 CYS 40 2HB CYS 40 -7.706 10.526 3.393 313 HG CYS 40 HG CYS 40 -4.864 11.172 4.110 314 H ALA 41 H ALA 41 -8.299 8.333 5.310 315 HA ALA 41 HA ALA 41 -9.301 5.948 4.064 316 HB1 ALA 41 3HB ALA 41 -10.374 7.563 6.390 317 HB2 ALA 41 1HB ALA 41 -9.309 6.162 6.513 318 HB3 ALA 41 2HB ALA 41 -10.951 5.970 5.898 319 H GLY 42 H GLY 42 -10.554 6.069 2.335 320 HA2 GLY 42 1HA GLY 42 -12.622 6.721 1.334 321 HA3 GLY 42 2HA GLY 42 -12.486 8.277 2.153 322 H ALA 43 H ALA 43 -9.628 7.000 0.857 323 HA ALA 43 HA ALA 43 -9.295 9.151 -0.971 324 HB1 ALA 43 3HB ALA 43 -7.398 8.178 0.239 325 HB2 ALA 43 1HB ALA 43 -7.177 8.043 -1.505 326 HB3 ALA 43 2HB ALA 43 -7.674 6.635 -0.571 327 H SER 44 H SER 44 -10.240 9.185 -2.876 328 HA SER 44 HA SER 44 -10.278 6.798 -4.495 329 HB2 SER 44 1HB SER 44 -12.765 8.468 -3.966 330 HB3 SER 44 2HB SER 44 -12.656 7.045 -5.000 331 HG SER 44 HG SER 44 -11.668 6.404 -2.659 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 21.057 9.945 0.111 2 H2 ASN 1 2H ASN 1 20.845 11.551 -0.343 3 H3 ASN 1 3H ASN 1 21.025 11.166 1.299 4 HA ASN 1 HA ASN 1 23.026 12.112 0.372 5 HB2 ASN 1 1HB ASN 1 23.190 9.153 1.005 6 HB3 ASN 1 2HB ASN 1 24.596 10.198 0.860 7 HD21 ASN 1 2HD2 ASN 1 23.451 8.682 3.129 8 HD22 ASN 1 1HD2 ASN 1 23.223 9.852 4.371 9 HA PRO 2 HA PRO 2 23.206 10.829 -3.980 10 HB2 PRO 2 1HB PRO 2 24.326 13.076 -4.926 11 HB3 PRO 2 2HB PRO 2 22.611 13.004 -4.511 12 HG2 PRO 2 1HG PRO 2 24.892 14.140 -2.947 13 HG3 PRO 2 2HG PRO 2 23.266 14.800 -3.185 14 HD2 PRO 2 1HD PRO 2 24.056 13.450 -0.939 15 HD3 PRO 2 2HD PRO 2 22.375 13.512 -1.514 16 H ASN 3 H ASN 3 25.538 11.591 -1.701 17 HA ASN 3 HA ASN 3 27.809 11.002 -3.406 18 HB2 ASN 3 1HB ASN 3 29.171 11.674 -1.440 19 HB3 ASN 3 2HB ASN 3 28.051 12.933 -1.933 20 HD21 ASN 3 2HD2 ASN 3 29.355 12.478 0.649 21 HD22 ASN 3 1HD2 ASN 3 28.090 12.332 1.801 22 H ALA 4 H ALA 4 25.584 9.230 -1.993 23 HA ALA 4 HA ALA 4 27.383 7.019 -1.515 24 HB1 ALA 4 3HB ALA 4 26.977 7.955 0.720 25 HB2 ALA 4 1HB ALA 4 26.186 6.388 0.552 26 HB3 ALA 4 2HB ALA 4 25.239 7.873 0.447 27 H GLN 5 H GLN 5 26.664 5.545 -2.875 28 HA GLN 5 HA GLN 5 24.334 5.705 -4.384 29 HB2 GLN 5 1HB GLN 5 26.036 3.299 -3.772 30 HB3 GLN 5 2HB GLN 5 24.767 3.324 -4.980 31 HG2 GLN 5 1HG GLN 5 27.201 5.102 -5.011 32 HG3 GLN 5 2HG GLN 5 27.041 3.600 -5.911 33 HE21 GLN 5 2HE2 GLN 5 27.248 4.553 -7.873 34 HE22 GLN 5 1HE2 GLN 5 26.039 5.564 -8.575 35 H LEU 6 H LEU 6 22.286 5.370 -3.936 36 HA LEU 6 HA LEU 6 21.407 4.230 -1.485 37 HB2 LEU 6 1HB LEU 6 19.870 4.926 -4.009 38 HB3 LEU 6 2HB LEU 6 19.124 4.374 -2.534 39 HG LEU 6 HG LEU 6 19.984 6.448 -1.403 40 HD11 LEU 6 1HD1 LEU 6 20.643 7.325 -4.210 41 HD12 LEU 6 2HD1 LEU 6 21.804 7.034 -2.916 42 HD13 LEU 6 3HD1 LEU 6 20.642 8.354 -2.779 43 HD21 LEU 6 3HD2 LEU 6 18.290 7.900 -2.376 44 HD22 LEU 6 1HD2 LEU 6 17.699 6.250 -2.160 45 HD23 LEU 6 2HD2 LEU 6 18.168 6.819 -3.764 46 H ILE 7 H ILE 7 20.922 2.152 -1.075 47 HA ILE 7 HA ILE 7 20.795 0.372 -3.358 48 HB ILE 7 HB ILE 7 23.130 0.338 -2.783 49 HG12 ILE 7 1HG1 ILE 7 21.759 -2.155 -1.737 50 HG13 ILE 7 2HG1 ILE 7 22.135 -1.809 -3.420 51 HG21 ILE 7 1HG2 ILE 7 23.975 -0.309 -0.568 52 HG22 ILE 7 2HG2 ILE 7 22.324 -0.297 0.052 53 HG23 ILE 7 3HG2 ILE 7 23.057 1.197 -0.527 54 HD11 ILE 7 3HD1 ILE 7 24.123 -2.226 -1.208 55 HD12 ILE 7 1HD1 ILE 7 24.519 -1.886 -2.893 56 HD13 ILE 7 2HD1 ILE 7 23.700 -3.391 -2.464 57 H GLU 8 H GLU 8 19.291 -1.067 -3.173 58 HA GLU 8 HA GLU 8 17.883 -1.456 -0.707 59 HB2 GLU 8 1HB GLU 8 17.668 -2.851 -3.397 60 HB3 GLU 8 2HB GLU 8 16.652 -3.232 -2.020 61 HG2 GLU 8 1HG GLU 8 15.435 -1.852 -3.534 62 HG3 GLU 8 2HG GLU 8 15.762 -0.930 -2.076 63 H ASP 9 H ASP 9 18.675 -2.694 0.817 64 HA ASP 9 HA ASP 9 20.816 -4.500 0.123 65 HB2 ASP 9 1HB ASP 9 21.388 -4.487 2.514 66 HB3 ASP 9 2HB ASP 9 21.262 -2.851 1.888 67 HA PRO 10 HA PRO 10 18.684 -8.319 0.473 68 HB2 PRO 10 1HB PRO 10 20.756 -9.182 2.427 69 HB3 PRO 10 2HB PRO 10 20.245 -9.944 0.917 70 HG2 PRO 10 1HG PRO 10 22.554 -8.641 1.061 71 HG3 PRO 10 2HG PRO 10 21.531 -8.520 -0.383 72 HD2 PRO 10 1HD PRO 10 21.939 -6.562 1.824 73 HD3 PRO 10 2HD PRO 10 21.743 -6.289 0.082 74 H LEU 11 H LEU 11 16.901 -8.689 1.572 75 HA LEU 11 HA LEU 11 16.987 -8.664 4.475 76 HB2 LEU 11 1HB LEU 11 14.880 -7.502 4.668 77 HB3 LEU 11 2HB LEU 11 15.955 -6.543 3.702 78 HG LEU 11 HG LEU 11 13.722 -8.220 2.538 79 HD11 LEU 11 1HD1 LEU 11 13.792 -5.278 3.182 80 HD12 LEU 11 2HD1 LEU 11 12.826 -6.502 4.007 81 HD13 LEU 11 3HD1 LEU 11 12.502 -6.114 2.317 82 HD21 LEU 11 3HD2 LEU 11 15.508 -7.685 0.934 83 HD22 LEU 11 1HD2 LEU 11 15.373 -5.977 1.351 84 HD23 LEU 11 2HD2 LEU 11 14.031 -6.800 0.558 85 H ASP 12 H ASP 12 15.064 -9.898 5.386 86 HA ASP 12 HA ASP 12 14.943 -12.365 3.858 87 HB2 ASP 12 1HB ASP 12 14.174 -13.472 5.871 88 HB3 ASP 12 2HB ASP 12 15.564 -12.477 6.259 89 H LYS 13 H LYS 13 13.036 -9.689 4.344 90 HA LYS 13 HA LYS 13 10.492 -11.032 3.732 91 HB2 LYS 13 1HB LYS 13 11.236 -8.126 3.886 92 HB3 LYS 13 2HB LYS 13 9.633 -8.737 3.516 93 HG2 LYS 13 1HG LYS 13 9.529 -9.732 5.733 94 HG3 LYS 13 2HG LYS 13 11.143 -9.137 6.115 95 HD2 LYS 13 1HD LYS 13 9.552 -7.619 7.104 96 HD3 LYS 13 2HD LYS 13 10.251 -6.813 5.706 97 HE2 LYS 13 1HE LYS 13 8.294 -7.366 4.368 98 HE3 LYS 13 2HE LYS 13 7.610 -8.267 5.719 99 HZ1 LYS 13 3HZ LYS 13 8.128 -5.344 5.647 100 HZ2 LYS 13 1HZ LYS 13 7.513 -6.188 6.974 101 HZ3 LYS 13 2HZ LYS 13 6.636 -6.093 5.546 102 HA PRO 14 HA PRO 14 11.047 -10.505 -0.487 103 HB2 PRO 14 1HB PRO 14 9.082 -12.109 -1.279 104 HB3 PRO 14 2HB PRO 14 10.476 -12.722 -0.333 105 HG2 PRO 14 1HG PRO 14 7.742 -12.094 0.673 106 HG3 PRO 14 2HG PRO 14 8.713 -13.561 0.912 107 HD2 PRO 14 1HD PRO 14 8.642 -11.401 2.643 108 HD3 PRO 14 2HD PRO 14 9.954 -12.604 2.555 109 H ILE 15 H ILE 15 10.336 -8.739 -1.512 110 HA ILE 15 HA ILE 15 8.046 -7.372 -0.433 111 HB ILE 15 HB ILE 15 9.895 -6.553 -2.620 112 HG12 ILE 15 1HG1 ILE 15 11.074 -6.796 -0.474 113 HG13 ILE 15 2HG1 ILE 15 11.003 -5.090 -0.929 114 HG21 ILE 15 1HG2 ILE 15 7.787 -5.374 -2.804 115 HG22 ILE 15 2HG2 ILE 15 9.028 -4.249 -2.244 116 HG23 ILE 15 3HG2 ILE 15 7.862 -4.913 -1.101 117 HD11 ILE 15 3HD1 ILE 15 10.620 -5.375 1.434 118 HD12 ILE 15 1HD1 ILE 15 9.314 -6.519 1.120 119 HD13 ILE 15 2HD1 ILE 15 9.133 -4.826 0.665 120 H GLN 16 H GLN 16 6.356 -8.047 -1.013 121 HA GLN 16 HA GLN 16 5.713 -8.849 -3.756 122 HB2 GLN 16 1HB GLN 16 4.220 -9.326 -1.174 123 HB3 GLN 16 2HB GLN 16 3.634 -9.810 -2.759 124 HG2 GLN 16 1HG GLN 16 6.162 -10.784 -1.438 125 HG3 GLN 16 2HG GLN 16 4.645 -11.674 -1.553 126 HE21 GLN 16 2HE2 GLN 16 7.441 -10.547 -3.287 127 HE22 GLN 16 1HE2 GLN 16 7.194 -11.500 -4.691 128 H TYR 17 H TYR 17 3.525 -8.257 -4.520 129 HA TYR 17 HA TYR 17 2.947 -5.450 -3.853 130 HB2 TYR 17 1HB TYR 17 2.356 -6.930 -6.423 131 HB3 TYR 17 2HB TYR 17 2.202 -5.201 -6.134 132 HD1 TYR 17 HD1 TYR 17 4.244 -3.798 -5.962 133 HD2 TYR 17 HD2 TYR 17 4.444 -7.929 -6.953 134 HE1 TYR 17 HE1 TYR 17 6.552 -3.501 -6.768 135 HE2 TYR 17 HE2 TYR 17 6.732 -7.642 -7.751 136 HH TYR 17 HH TYR 17 8.175 -5.911 -8.556 137 H ARG 18 H ARG 18 1.076 -5.195 -2.857 138 HA ARG 18 HA ARG 18 -1.115 -7.049 -3.490 139 HB2 ARG 18 1HB ARG 18 -1.812 -7.167 -1.209 140 HB3 ARG 18 2HB ARG 18 -0.113 -7.563 -1.251 141 HG2 ARG 18 1HG ARG 18 0.483 -5.387 -0.341 142 HG3 ARG 18 2HG ARG 18 -1.173 -4.839 -0.453 143 HD2 ARG 18 1HD ARG 18 -1.843 -6.750 1.051 144 HD3 ARG 18 2HD ARG 18 -0.135 -7.077 1.278 145 HE ARG 18 HE ARG 18 0.081 -5.039 2.454 146 HH11 ARG 18 1HH1 ARG 18 -3.320 -5.764 1.638 147 HH12 ARG 18 2HH1 ARG 18 -3.946 -4.857 2.932 148 HH21 ARG 18 1HH2 ARG 18 -0.824 -3.822 4.212 149 HH22 ARG 18 2HH2 ARG 18 -2.525 -3.708 4.392 150 H VAL 19 H VAL 19 -3.233 -6.047 -3.368 151 HA VAL 19 HA VAL 19 -2.973 -3.208 -3.824 152 HB VAL 19 HB VAL 19 -5.335 -3.211 -4.573 153 HG11 VAL 19 1HG1 VAL 19 -3.601 -5.282 -5.903 154 HG12 VAL 19 2HG1 VAL 19 -3.576 -3.543 -6.196 155 HG13 VAL 19 3HG1 VAL 19 -4.996 -4.489 -6.636 156 HG21 VAL 19 3HG2 VAL 19 -5.214 -6.197 -4.126 157 HG22 VAL 19 1HG2 VAL 19 -6.529 -5.327 -4.915 158 HG23 VAL 19 2HG2 VAL 19 -6.193 -5.053 -3.204 159 H CYS 20 H CYS 20 -3.613 -1.666 -2.608 160 HA CYS 20 HA CYS 20 -4.217 -2.098 0.118 161 HB2 CYS 20 1HB CYS 20 -3.122 -0.056 -0.472 162 HB3 CYS 20 2HB CYS 20 -4.424 0.391 -1.574 163 H GLU 21 H GLU 21 -6.074 -2.059 1.244 164 HA GLU 21 HA GLU 21 -8.463 -2.956 0.242 165 HB2 GLU 21 1HB GLU 21 -8.083 -1.231 2.675 166 HB3 GLU 21 2HB GLU 21 -9.427 -2.309 2.355 167 HG2 GLU 21 1HG GLU 21 -7.911 -4.221 2.493 168 HG3 GLU 21 2HG GLU 21 -6.571 -3.119 2.819 169 H LYS 22 H LYS 22 -7.567 0.369 1.047 170 HA LYS 22 HA LYS 22 -10.231 1.310 0.370 171 HB2 LYS 22 1HB LYS 22 -7.862 2.920 1.290 172 HB3 LYS 22 2HB LYS 22 -9.552 3.403 1.312 173 HG2 LYS 22 1HG LYS 22 -10.019 1.606 2.914 174 HG3 LYS 22 2HG LYS 22 -8.304 1.206 2.933 175 HD2 LYS 22 1HD LYS 22 -7.816 3.493 3.744 176 HD3 LYS 22 2HD LYS 22 -9.550 3.812 3.785 177 HE2 LYS 22 1HE LYS 22 -8.081 1.717 5.387 178 HE3 LYS 22 2HE LYS 22 -8.809 3.194 6.003 179 HZ1 LYS 22 3HZ LYS 22 -10.295 0.870 4.837 180 HZ2 LYS 22 1HZ LYS 22 -11.005 2.311 5.327 181 HZ3 LYS 22 2HZ LYS 22 -10.237 1.322 6.436 182 H CYS 23 H CYS 23 -6.930 2.017 -0.650 183 HA CYS 23 HA CYS 23 -7.804 3.878 -2.635 184 HB2 CYS 23 1HB CYS 23 -5.048 2.726 -2.295 185 HB3 CYS 23 2HB CYS 23 -5.494 4.266 -3.023 186 H GLY 24 H GLY 24 -7.320 0.454 -2.630 187 HA2 GLY 24 1HA GLY 24 -7.399 -1.126 -4.259 188 HA3 GLY 24 2HA GLY 24 -8.059 0.105 -5.323 189 H LYS 25 H LYS 25 -5.040 0.722 -3.909 190 HA LYS 25 HA LYS 25 -3.855 0.580 -6.520 191 HB2 LYS 25 1HB LYS 25 -3.097 1.993 -4.042 192 HB3 LYS 25 2HB LYS 25 -1.984 1.834 -5.395 193 HG2 LYS 25 1HG LYS 25 -3.436 2.993 -6.854 194 HG3 LYS 25 2HG LYS 25 -4.754 2.948 -5.672 195 HD2 LYS 25 1HD LYS 25 -3.412 4.036 -4.173 196 HD3 LYS 25 2HD LYS 25 -2.118 4.316 -5.333 197 HE2 LYS 25 1HE LYS 25 -4.964 5.323 -5.673 198 HE3 LYS 25 2HE LYS 25 -3.632 6.335 -5.125 199 HZ1 LYS 25 3HZ LYS 25 -4.064 6.607 -7.486 200 HZ2 LYS 25 1HZ LYS 25 -3.788 4.981 -7.784 201 HZ3 LYS 25 2HZ LYS 25 -2.540 5.970 -7.243 202 HA PRO 26 HA PRO 26 -1.335 -2.908 -5.336 203 HB2 PRO 26 1HB PRO 26 0.529 -2.713 -7.291 204 HB3 PRO 26 2HB PRO 26 -1.106 -3.302 -7.610 205 HG2 PRO 26 1HG PRO 26 0.047 -0.587 -8.093 206 HG3 PRO 26 2HG PRO 26 -1.043 -1.545 -9.118 207 HD2 PRO 26 1HD PRO 26 -1.891 0.508 -7.493 208 HD3 PRO 26 2HD PRO 26 -2.901 -0.887 -7.942 209 H LEU 27 H LEU 27 -0.051 -2.808 -3.673 210 HA LEU 27 HA LEU 27 1.955 -0.702 -3.485 211 HB2 LEU 27 1HB LEU 27 -0.001 -1.802 -1.617 212 HB3 LEU 27 2HB LEU 27 1.620 -1.629 -0.974 213 HG LEU 27 HG LEU 27 0.243 0.290 -0.432 214 HD11 LEU 27 1HD1 LEU 27 2.381 0.929 -2.438 215 HD12 LEU 27 2HD1 LEU 27 2.612 0.462 -0.760 216 HD13 LEU 27 3HD1 LEU 27 1.786 1.987 -1.140 217 HD21 LEU 27 3HD2 LEU 27 -0.513 1.839 -2.170 218 HD22 LEU 27 1HD2 LEU 27 -1.272 0.258 -2.363 219 HD23 LEU 27 2HD2 LEU 27 0.060 0.736 -3.419 220 H ALA 28 H ALA 28 3.964 -1.302 -3.358 221 HA ALA 28 HA ALA 28 4.683 -4.071 -3.007 222 HB1 ALA 28 3HB ALA 28 6.989 -3.230 -3.301 223 HB2 ALA 28 1HB ALA 28 6.384 -1.576 -3.298 224 HB3 ALA 28 2HB ALA 28 5.943 -2.672 -4.604 225 H LEU 29 H LEU 29 5.360 -4.885 -1.127 226 HA LEU 29 HA LEU 29 4.627 -3.843 1.295 227 HB2 LEU 29 1HB LEU 29 6.863 -5.800 0.834 228 HB3 LEU 29 2HB LEU 29 6.085 -5.503 2.375 229 HG LEU 29 HG LEU 29 4.765 -6.677 -0.074 230 HD11 LEU 29 1HD1 LEU 29 4.626 -8.707 1.268 231 HD12 LEU 29 2HD1 LEU 29 5.552 -7.920 2.545 232 HD13 LEU 29 3HD1 LEU 29 6.294 -8.222 0.973 233 HD21 LEU 29 3HD2 LEU 29 3.154 -5.362 1.188 234 HD22 LEU 29 1HD2 LEU 29 3.652 -6.155 2.687 235 HD23 LEU 29 2HD2 LEU 29 2.847 -7.078 1.420 236 H THR 30 H THR 30 7.647 -3.133 -0.306 237 HA THR 30 HA THR 30 9.014 -2.213 1.993 238 HB THR 30 HB THR 30 10.171 -2.931 -0.107 239 HG1 THR 30 HG1 THR 30 10.744 -0.501 1.161 240 HG21 THR 30 3HG2 THR 30 8.713 -1.886 -1.758 241 HG22 THR 30 1HG2 THR 30 10.377 -1.347 -1.982 242 HG23 THR 30 2HG2 THR 30 9.200 -0.286 -1.207 243 H ALA 31 H ALA 31 6.546 -0.739 0.033 244 HA ALA 31 HA ALA 31 7.088 1.871 1.290 245 HB1 ALA 31 3HB ALA 31 5.792 1.289 -1.367 246 HB2 ALA 31 1HB ALA 31 7.413 1.937 -1.126 247 HB3 ALA 31 2HB ALA 31 5.996 2.887 -0.658 248 H ILE 32 H ILE 32 5.170 -0.743 1.492 249 HA ILE 32 HA ILE 32 2.563 0.346 1.357 250 HB ILE 32 HB ILE 32 3.359 -2.140 1.226 251 HG12 ILE 32 1HG1 ILE 32 0.985 -1.549 0.945 252 HG13 ILE 32 2HG1 ILE 32 1.148 -3.048 1.838 253 HG21 ILE 32 1HG2 ILE 32 2.906 -2.016 4.190 254 HG22 ILE 32 2HG2 ILE 32 4.433 -2.296 3.360 255 HG23 ILE 32 3HG2 ILE 32 3.140 -3.486 3.236 256 HD11 ILE 32 3HD1 ILE 32 0.414 -0.337 2.923 257 HD12 ILE 32 1HD1 ILE 32 0.652 -1.752 3.923 258 HD13 ILE 32 2HD1 ILE 32 -0.644 -1.720 2.748 259 H VAL 33 H VAL 33 4.922 0.101 3.910 260 HA VAL 33 HA VAL 33 3.235 0.576 6.112 261 HB VAL 33 HB VAL 33 6.150 1.354 5.862 262 HG11 VAL 33 1HG1 VAL 33 6.181 1.099 8.306 263 HG12 VAL 33 2HG1 VAL 33 4.436 0.847 8.282 264 HG13 VAL 33 3HG1 VAL 33 5.110 2.393 7.770 265 HG21 VAL 33 3HG2 VAL 33 5.852 -1.002 5.329 266 HG22 VAL 33 1HG2 VAL 33 4.926 -1.232 6.812 267 HG23 VAL 33 2HG2 VAL 33 6.639 -0.820 6.898 268 H ASP 34 H ASP 34 5.384 2.865 4.407 269 HA ASP 34 HA ASP 34 4.321 5.112 5.737 270 HB2 ASP 34 1HB ASP 34 5.491 6.539 4.124 271 HB3 ASP 34 2HB ASP 34 6.536 5.229 4.640 272 H HIS 35 H HIS 35 3.415 3.488 2.767 273 HA HIS 35 HA HIS 35 1.470 5.254 1.900 274 HB2 HIS 35 1HB HIS 35 2.011 3.269 0.553 275 HB3 HIS 35 2HB HIS 35 1.410 2.215 1.828 276 HD1 HIS 35 HD1 HIS 35 0.269 4.176 -1.104 277 HD2 HIS 35 HD2 HIS 35 -1.399 2.221 2.137 278 HE1 HIS 35 HE1 HIS 35 -2.187 4.124 -1.572 279 H LEU 36 H LEU 36 1.081 2.559 4.223 280 HA LEU 36 HA LEU 36 -1.606 3.066 4.794 281 HB2 LEU 36 1HB LEU 36 0.512 1.829 6.571 282 HB3 LEU 36 2HB LEU 36 -1.197 1.830 6.921 283 HG LEU 36 HG LEU 36 0.041 0.480 4.595 284 HD11 LEU 36 1HD1 LEU 36 -1.064 -0.565 7.198 285 HD12 LEU 36 2HD1 LEU 36 0.630 -0.579 6.707 286 HD13 LEU 36 3HD1 LEU 36 -0.554 -1.563 5.839 287 HD21 LEU 36 3HD2 LEU 36 -2.205 -0.533 4.358 288 HD22 LEU 36 1HD2 LEU 36 -2.239 1.212 4.113 289 HD23 LEU 36 2HD2 LEU 36 -2.797 0.529 5.634 290 H GLU 37 H GLU 37 1.290 4.442 6.160 291 HA GLU 37 HA GLU 37 0.045 5.883 8.254 292 HB2 GLU 37 1HB GLU 37 2.569 6.480 6.770 293 HB3 GLU 37 2HB GLU 37 2.102 7.180 8.310 294 HG2 GLU 37 1HG GLU 37 2.266 4.969 9.337 295 HG3 GLU 37 2HG GLU 37 2.717 4.283 7.770 296 H ASN 38 H ASN 38 0.484 6.683 4.739 297 HA ASN 38 HA ASN 38 -0.393 9.398 5.400 298 HB2 ASN 38 1HB ASN 38 1.995 9.207 4.696 299 HB3 ASN 38 2HB ASN 38 1.461 8.492 3.188 300 HD21 ASN 38 2HD2 ASN 38 2.470 10.107 2.009 301 HD22 ASN 38 1HD2 ASN 38 1.817 11.711 1.908 302 H HIS 39 H HIS 39 -1.562 6.682 4.268 303 HA HIS 39 HA HIS 39 -2.443 7.697 1.876 304 HB2 HIS 39 1HB HIS 39 -3.531 5.665 1.346 305 HB3 HIS 39 2HB HIS 39 -2.076 5.338 2.279 306 HD2 HIS 39 HD2 HIS 39 -3.786 5.677 5.253 307 HE1 HIS 39 HE1 HIS 39 -5.684 2.183 3.772 308 HE2 HIS 39 HE2 HIS 39 -5.016 3.504 5.818 309 H CYS 40 H CYS 40 -4.915 7.671 1.248 310 HA CYS 40 HA CYS 40 -6.224 9.300 3.229 311 HB2 CYS 40 1HB CYS 40 -7.761 9.796 1.253 312 HB3 CYS 40 2HB CYS 40 -6.107 10.388 1.173 313 HG CYS 40 HG CYS 40 -6.339 9.640 -1.327 314 H ALA 41 H ALA 41 -7.596 8.410 4.562 315 HA ALA 41 HA ALA 41 -8.964 5.968 3.973 316 HB1 ALA 41 3HB ALA 41 -9.352 7.969 6.212 317 HB2 ALA 41 1HB ALA 41 -8.341 6.527 6.281 318 HB3 ALA 41 2HB ALA 41 -10.091 6.369 6.137 319 H GLY 42 H GLY 42 -11.158 5.776 3.444 320 HA2 GLY 42 1HA GLY 42 -13.266 6.581 2.846 321 HA3 GLY 42 2HA GLY 42 -12.644 8.225 2.927 322 H ALA 43 H ALA 43 -10.433 6.403 1.345 323 HA ALA 43 HA ALA 43 -10.718 7.648 -1.123 324 HB1 ALA 43 3HB ALA 43 -9.037 6.075 -1.930 325 HB2 ALA 43 1HB ALA 43 -9.292 5.059 -0.511 326 HB3 ALA 43 2HB ALA 43 -8.606 6.672 -0.328 327 H SER 44 H SER 44 -12.343 7.436 -2.387 328 HA SER 44 HA SER 44 -13.629 4.851 -2.715 329 HB2 SER 44 1HB SER 44 -14.493 7.608 -3.636 330 HB3 SER 44 2HB SER 44 -15.454 6.131 -3.702 331 HG SER 44 HG SER 44 -14.382 7.088 -1.276 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 24.038 -30.715 -22.675 2 H2 ASN 1 2H ASN 1 22.429 -30.405 -22.248 3 H3 ASN 1 3H ASN 1 23.578 -29.216 -22.045 4 HA ASN 1 HA ASN 1 23.866 -29.019 -24.415 5 HB2 ASN 1 1HB ASN 1 23.322 -31.352 -25.021 6 HB3 ASN 1 2HB ASN 1 21.655 -31.102 -24.516 7 HD21 ASN 1 2HD2 ASN 1 20.737 -31.504 -26.516 8 HD22 ASN 1 1HD2 ASN 1 20.965 -30.466 -27.863 9 HA PRO 2 HA PRO 2 20.598 -26.166 -23.228 10 HB2 PRO 2 1HB PRO 2 21.346 -24.111 -24.830 11 HB3 PRO 2 2HB PRO 2 22.174 -24.478 -23.314 12 HG2 PRO 2 1HG PRO 2 22.955 -25.172 -26.117 13 HG3 PRO 2 2HG PRO 2 23.974 -24.587 -24.791 14 HD2 PRO 2 1HD PRO 2 23.829 -27.206 -25.518 15 HD3 PRO 2 2HD PRO 2 24.165 -26.679 -23.855 16 H ASN 3 H ASN 3 18.606 -26.117 -24.013 17 HA ASN 3 HA ASN 3 18.032 -26.881 -26.755 18 HB2 ASN 3 1HB ASN 3 16.584 -27.795 -25.010 19 HB3 ASN 3 2HB ASN 3 16.217 -26.168 -24.437 20 HD21 ASN 3 2HD2 ASN 3 15.662 -28.506 -26.931 21 HD22 ASN 3 1HD2 ASN 3 14.302 -27.728 -27.652 22 H ALA 4 H ALA 4 17.600 -24.191 -24.601 23 HA ALA 4 HA ALA 4 17.117 -22.377 -26.853 24 HB1 ALA 4 3HB ALA 4 15.436 -22.297 -25.044 25 HB2 ALA 4 1HB ALA 4 16.372 -20.801 -25.085 26 HB3 ALA 4 2HB ALA 4 16.719 -22.023 -23.865 27 H GLN 5 H GLN 5 18.163 -20.053 -25.586 28 HA GLN 5 HA GLN 5 20.951 -20.646 -25.803 29 HB2 GLN 5 1HB GLN 5 19.566 -18.075 -25.022 30 HB3 GLN 5 2HB GLN 5 21.279 -18.239 -25.371 31 HG2 GLN 5 1HG GLN 5 20.722 -18.971 -27.649 32 HG3 GLN 5 2HG GLN 5 19.021 -18.698 -27.299 33 HE21 GLN 5 2HE2 GLN 5 19.589 -16.288 -25.709 34 HE22 GLN 5 1HE2 GLN 5 20.024 -15.076 -26.852 35 H LEU 6 H LEU 6 22.421 -20.768 -24.195 36 HA LEU 6 HA LEU 6 21.431 -21.429 -21.605 37 HB2 LEU 6 1HB LEU 6 23.466 -22.416 -22.804 38 HB3 LEU 6 2HB LEU 6 24.297 -20.926 -22.445 39 HG LEU 6 HG LEU 6 23.234 -22.807 -20.320 40 HD11 LEU 6 1HD1 LEU 6 26.015 -22.595 -21.460 41 HD12 LEU 6 2HD1 LEU 6 24.895 -23.933 -21.698 42 HD13 LEU 6 3HD1 LEU 6 25.533 -23.594 -20.090 43 HD21 LEU 6 3HD2 LEU 6 24.780 -21.625 -18.835 44 HD22 LEU 6 1HD2 LEU 6 23.627 -20.497 -19.549 45 HD23 LEU 6 2HD2 LEU 6 25.279 -20.580 -20.165 46 H ILE 7 H ILE 7 20.835 -19.955 -20.193 47 HA ILE 7 HA ILE 7 22.299 -17.457 -20.083 48 HB ILE 7 HB ILE 7 20.346 -16.960 -21.431 49 HG12 ILE 7 1HG1 ILE 7 20.017 -15.884 -18.616 50 HG13 ILE 7 2HG1 ILE 7 21.083 -15.228 -19.848 51 HG21 ILE 7 1HG2 ILE 7 18.682 -18.088 -19.190 52 HG22 ILE 7 2HG2 ILE 7 18.875 -18.758 -20.809 53 HG23 ILE 7 3HG2 ILE 7 18.046 -17.218 -20.587 54 HD11 ILE 7 3HD1 ILE 7 19.139 -14.671 -21.213 55 HD12 ILE 7 1HD1 ILE 7 19.093 -13.885 -19.636 56 HD13 ILE 7 2HD1 ILE 7 18.081 -15.298 -19.950 57 H GLU 8 H GLU 8 22.633 -16.712 -18.144 58 HA GLU 8 HA GLU 8 21.839 -18.292 -15.845 59 HB2 GLU 8 1HB GLU 8 24.175 -17.716 -16.137 60 HB3 GLU 8 2HB GLU 8 23.764 -16.019 -16.293 61 HG2 GLU 8 1HG GLU 8 23.018 -16.000 -13.962 62 HG3 GLU 8 2HG GLU 8 23.476 -17.699 -13.818 63 H ASP 9 H ASP 9 20.054 -17.635 -14.746 64 HA ASP 9 HA ASP 9 19.100 -14.927 -15.141 65 HB2 ASP 9 1HB ASP 9 17.427 -16.704 -15.274 66 HB3 ASP 9 2HB ASP 9 17.865 -17.265 -13.663 67 HA PRO 10 HA PRO 10 21.226 -13.700 -11.370 68 HB2 PRO 10 1HB PRO 10 19.515 -11.307 -11.660 69 HB3 PRO 10 2HB PRO 10 21.273 -11.414 -11.557 70 HG2 PRO 10 1HG PRO 10 20.024 -10.821 -13.863 71 HG3 PRO 10 2HG PRO 10 21.519 -11.769 -13.821 72 HD2 PRO 10 1HD PRO 10 18.708 -12.673 -14.244 73 HD3 PRO 10 2HD PRO 10 20.220 -13.273 -14.955 74 H LEU 11 H LEU 11 20.584 -13.656 -9.223 75 HA LEU 11 HA LEU 11 17.878 -14.498 -8.746 76 HB2 LEU 11 1HB LEU 11 20.202 -14.139 -6.842 77 HB3 LEU 11 2HB LEU 11 18.609 -14.637 -6.327 78 HG LEU 11 HG LEU 11 18.867 -16.684 -7.779 79 HD11 LEU 11 1HD1 LEU 11 20.583 -15.907 -9.299 80 HD12 LEU 11 2HD1 LEU 11 21.107 -17.368 -8.451 81 HD13 LEU 11 3HD1 LEU 11 21.732 -15.793 -7.964 82 HD21 LEU 11 3HD2 LEU 11 20.314 -17.854 -6.201 83 HD22 LEU 11 1HD2 LEU 11 19.197 -16.766 -5.376 84 HD23 LEU 11 2HD2 LEU 11 20.886 -16.305 -5.576 85 H ASP 12 H ASP 12 16.656 -12.812 -9.184 86 HA ASP 12 HA ASP 12 17.107 -10.322 -7.713 87 HB2 ASP 12 1HB ASP 12 16.897 -10.052 -10.127 88 HB3 ASP 12 2HB ASP 12 15.366 -10.919 -10.110 89 H LYS 13 H LYS 13 15.861 -9.874 -6.056 90 HA LYS 13 HA LYS 13 13.757 -11.661 -5.147 91 HB2 LYS 13 1HB LYS 13 14.625 -8.962 -4.194 92 HB3 LYS 13 2HB LYS 13 13.388 -9.963 -3.459 93 HG2 LYS 13 1HG LYS 13 15.066 -11.666 -2.938 94 HG3 LYS 13 2HG LYS 13 16.304 -10.723 -3.771 95 HD2 LYS 13 1HD LYS 13 16.483 -10.439 -1.355 96 HD3 LYS 13 2HD LYS 13 16.025 -8.923 -2.128 97 HE2 LYS 13 1HE LYS 13 13.691 -9.312 -1.510 98 HE3 LYS 13 2HE LYS 13 14.135 -10.838 -0.753 99 HZ1 LYS 13 3HZ LYS 13 15.510 -9.577 0.812 100 HZ2 LYS 13 1HZ LYS 13 13.902 -9.063 0.859 101 HZ3 LYS 13 2HZ LYS 13 15.041 -8.137 0.069 102 HA PRO 14 HA PRO 14 10.386 -9.864 -7.246 103 HB2 PRO 14 1HB PRO 14 9.367 -11.879 -5.343 104 HB3 PRO 14 2HB PRO 14 8.838 -11.631 -7.044 105 HG2 PRO 14 1HG PRO 14 10.282 -13.698 -6.453 106 HG3 PRO 14 2HG PRO 14 10.859 -12.672 -7.785 107 HD2 PRO 14 1HD PRO 14 11.759 -12.714 -4.935 108 HD3 PRO 14 2HD PRO 14 12.723 -12.716 -6.439 109 H ILE 15 H ILE 15 9.628 -8.060 -6.327 110 HA ILE 15 HA ILE 15 9.292 -7.906 -3.449 111 HB ILE 15 HB ILE 15 8.831 -5.732 -5.508 112 HG12 ILE 15 1HG1 ILE 15 11.191 -6.451 -5.575 113 HG13 ILE 15 2HG1 ILE 15 11.052 -4.831 -4.909 114 HG21 ILE 15 1HG2 ILE 15 7.693 -5.337 -3.400 115 HG22 ILE 15 2HG2 ILE 15 9.038 -4.202 -3.578 116 HG23 ILE 15 3HG2 ILE 15 9.195 -5.598 -2.514 117 HD11 ILE 15 3HD1 ILE 15 11.319 -5.773 -2.647 118 HD12 ILE 15 1HD1 ILE 15 12.694 -6.136 -3.690 119 HD13 ILE 15 2HD1 ILE 15 11.492 -7.380 -3.351 120 H GLN 16 H GLN 16 7.316 -8.108 -2.597 121 HA GLN 16 HA GLN 16 5.229 -8.735 -4.497 122 HB2 GLN 16 1HB GLN 16 5.385 -9.263 -1.540 123 HB3 GLN 16 2HB GLN 16 3.986 -9.662 -2.533 124 HG2 GLN 16 1HG GLN 16 6.782 -10.718 -2.920 125 HG3 GLN 16 2HG GLN 16 5.435 -11.606 -2.211 126 HE21 GLN 16 2HE2 GLN 16 6.764 -10.295 -5.167 127 HE22 GLN 16 1HE2 GLN 16 5.741 -11.146 -6.253 128 H TYR 17 H TYR 17 3.127 -8.006 -4.382 129 HA TYR 17 HA TYR 17 2.989 -5.226 -3.446 130 HB2 TYR 17 1HB TYR 17 1.729 -6.486 -5.879 131 HB3 TYR 17 2HB TYR 17 1.435 -4.844 -5.336 132 HD1 TYR 17 HD1 TYR 17 4.056 -7.137 -6.604 133 HD2 TYR 17 HD2 TYR 17 2.868 -3.100 -6.006 134 HE1 TYR 17 HE1 TYR 17 5.906 -6.407 -8.000 135 HE2 TYR 17 HE2 TYR 17 4.737 -2.341 -7.406 136 HH TYR 17 HH TYR 17 6.835 -3.093 -8.216 137 H ARG 18 H ARG 18 1.282 -4.633 -2.358 138 HA ARG 18 HA ARG 18 -0.917 -6.545 -1.954 139 HB2 ARG 18 1HB ARG 18 0.281 -6.143 0.133 140 HB3 ARG 18 2HB ARG 18 0.186 -4.406 -0.108 141 HG2 ARG 18 1HG ARG 18 -2.283 -4.555 0.068 142 HG3 ARG 18 2HG ARG 18 -2.127 -6.274 0.425 143 HD2 ARG 18 1HD ARG 18 -0.965 -4.010 2.057 144 HD3 ARG 18 2HD ARG 18 -2.420 -4.925 2.455 145 HE ARG 18 HE ARG 18 -0.191 -6.623 2.080 146 HH11 ARG 18 1HH1 ARG 18 -1.633 -4.442 4.501 147 HH12 ARG 18 2HH1 ARG 18 -0.936 -5.266 5.820 148 HH21 ARG 18 1HH2 ARG 18 0.734 -7.704 3.870 149 HH22 ARG 18 2HH2 ARG 18 0.447 -7.190 5.464 150 H VAL 19 H VAL 19 -2.896 -5.783 -2.642 151 HA VAL 19 HA VAL 19 -2.956 -3.011 -3.415 152 HB VAL 19 HB VAL 19 -5.246 -3.331 -4.241 153 HG11 VAL 19 1HG1 VAL 19 -4.813 -4.849 -6.096 154 HG12 VAL 19 2HG1 VAL 19 -3.327 -5.378 -5.291 155 HG13 VAL 19 3HG1 VAL 19 -3.520 -3.695 -5.796 156 HG21 VAL 19 3HG2 VAL 19 -6.067 -5.006 -2.698 157 HG22 VAL 19 1HG2 VAL 19 -4.998 -6.229 -3.402 158 HG23 VAL 19 2HG2 VAL 19 -6.311 -5.516 -4.361 159 H CYS 20 H CYS 20 -3.452 -1.510 -2.183 160 HA CYS 20 HA CYS 20 -4.427 -1.884 0.458 161 HB2 CYS 20 1HB CYS 20 -3.114 0.095 -0.125 162 HB3 CYS 20 2HB CYS 20 -4.347 0.593 -1.277 163 H GLU 21 H GLU 21 -6.431 -2.325 0.995 164 HA GLU 21 HA GLU 21 -8.409 -2.949 -0.791 165 HB2 GLU 21 1HB GLU 21 -8.625 -2.306 2.134 166 HB3 GLU 21 2HB GLU 21 -9.875 -3.092 1.176 167 HG2 GLU 21 1HG GLU 21 -8.597 -4.995 0.820 168 HG3 GLU 21 2HG GLU 21 -7.100 -4.198 1.287 169 H LYS 22 H LYS 22 -8.307 0.040 1.180 170 HA LYS 22 HA LYS 22 -10.733 0.909 -0.042 171 HB2 LYS 22 1HB LYS 22 -10.411 3.085 1.062 172 HB3 LYS 22 2HB LYS 22 -10.354 1.720 2.164 173 HG2 LYS 22 1HG LYS 22 -7.985 1.934 2.397 174 HG3 LYS 22 2HG LYS 22 -7.911 3.118 1.091 175 HD2 LYS 22 1HD LYS 22 -7.758 4.159 3.336 176 HD3 LYS 22 2HD LYS 22 -9.142 4.719 2.417 177 HE2 LYS 22 1HE LYS 22 -9.708 4.287 4.782 178 HE3 LYS 22 2HE LYS 22 -10.628 3.262 3.686 179 HZ1 LYS 22 3HZ LYS 22 -9.169 1.431 4.223 180 HZ2 LYS 22 1HZ LYS 22 -9.809 2.090 5.623 181 HZ3 LYS 22 2HZ LYS 22 -8.220 2.418 5.220 182 H CYS 23 H CYS 23 -7.407 1.484 -0.811 183 HA CYS 23 HA CYS 23 -8.172 3.596 -2.665 184 HB2 CYS 23 1HB CYS 23 -5.434 2.416 -2.144 185 HB3 CYS 23 2HB CYS 23 -5.768 3.833 -3.131 186 H GLY 24 H GLY 24 -7.365 0.207 -2.771 187 HA2 GLY 24 1HA GLY 24 -7.388 -1.333 -4.409 188 HA3 GLY 24 2HA GLY 24 -8.189 -0.222 -5.485 189 H LYS 25 H LYS 25 -5.194 0.383 -3.892 190 HA LYS 25 HA LYS 25 -3.852 0.503 -6.498 191 HB2 LYS 25 1HB LYS 25 -3.989 2.612 -5.279 192 HB3 LYS 25 2HB LYS 25 -3.155 1.880 -3.911 193 HG2 LYS 25 1HG LYS 25 -1.160 1.605 -5.184 194 HG3 LYS 25 2HG LYS 25 -1.975 2.096 -6.669 195 HD2 LYS 25 1HD LYS 25 -2.440 4.233 -5.657 196 HD3 LYS 25 2HD LYS 25 -1.466 3.798 -4.246 197 HE2 LYS 25 1HE LYS 25 0.493 3.488 -5.690 198 HE3 LYS 25 2HE LYS 25 -0.473 3.920 -7.103 199 HZ1 LYS 25 3HZ LYS 25 0.137 5.700 -4.814 200 HZ2 LYS 25 1HZ LYS 25 -0.772 6.126 -6.167 201 HZ3 LYS 25 2HZ LYS 25 0.860 5.756 -6.315 202 HA PRO 26 HA PRO 26 -1.377 -2.813 -4.772 203 HB2 PRO 26 1HB PRO 26 0.045 -3.370 -6.996 204 HB3 PRO 26 2HB PRO 26 -1.641 -3.867 -6.818 205 HG2 PRO 26 1HG PRO 26 -0.472 -1.692 -8.452 206 HG3 PRO 26 2HG PRO 26 -1.949 -2.635 -8.707 207 HD2 PRO 26 1HD PRO 26 -1.759 -0.014 -7.646 208 HD3 PRO 26 2HD PRO 26 -3.203 -1.035 -7.696 209 H LEU 27 H LEU 27 0.158 -2.214 -3.427 210 HA LEU 27 HA LEU 27 2.390 -0.672 -4.521 211 HB2 LEU 27 1HB LEU 27 2.730 0.289 -2.276 212 HB3 LEU 27 2HB LEU 27 1.238 0.792 -3.037 213 HG LEU 27 HG LEU 27 1.151 -1.485 -1.085 214 HD11 LEU 27 1HD1 LEU 27 2.485 0.300 -0.077 215 HD12 LEU 27 2HD1 LEU 27 0.903 0.098 0.707 216 HD13 LEU 27 3HD1 LEU 27 1.183 1.435 -0.418 217 HD21 LEU 27 3HD2 LEU 27 -0.721 0.799 -1.734 218 HD22 LEU 27 1HD2 LEU 27 -1.049 -0.539 -0.630 219 HD23 LEU 27 2HD2 LEU 27 -0.854 -0.840 -2.359 220 H ALA 28 H ALA 28 4.413 -1.068 -3.560 221 HA ALA 28 HA ALA 28 4.820 -3.871 -3.178 222 HB1 ALA 28 3HB ALA 28 6.737 -1.552 -3.157 223 HB2 ALA 28 1HB ALA 28 6.329 -2.554 -4.551 224 HB3 ALA 28 2HB ALA 28 7.186 -3.253 -3.172 225 H LEU 29 H LEU 29 5.610 -4.872 -1.370 226 HA LEU 29 HA LEU 29 4.746 -3.961 1.124 227 HB2 LEU 29 1HB LEU 29 6.719 -6.133 0.491 228 HB3 LEU 29 2HB LEU 29 6.034 -5.868 2.082 229 HG LEU 29 HG LEU 29 4.548 -6.702 -0.414 230 HD11 LEU 29 1HD1 LEU 29 5.879 -8.481 0.575 231 HD12 LEU 29 2HD1 LEU 29 4.155 -8.777 0.811 232 HD13 LEU 29 3HD1 LEU 29 5.138 -8.179 2.146 233 HD21 LEU 29 3HD2 LEU 29 2.587 -6.916 1.048 234 HD22 LEU 29 1HD2 LEU 29 3.139 -5.246 0.947 235 HD23 LEU 29 2HD2 LEU 29 3.500 -6.208 2.381 236 H THR 30 H THR 30 7.626 -3.120 -0.489 237 HA THR 30 HA THR 30 9.240 -2.600 1.753 238 HB THR 30 HB THR 30 10.348 -1.106 -0.080 239 HG1 THR 30 HG1 THR 30 9.591 -1.599 -2.167 240 HG21 THR 30 3HG2 THR 30 11.206 -3.316 0.643 241 HG22 THR 30 1HG2 THR 30 11.368 -3.108 -1.099 242 HG23 THR 30 2HG2 THR 30 10.068 -4.105 -0.450 243 H ALA 31 H ALA 31 6.607 -0.940 0.205 244 HA ALA 31 HA ALA 31 7.169 1.481 1.786 245 HB1 ALA 31 3HB ALA 31 5.823 1.330 -0.908 246 HB2 ALA 31 1HB ALA 31 7.471 1.877 -0.609 247 HB3 ALA 31 2HB ALA 31 6.108 2.794 0.031 248 H ILE 32 H ILE 32 5.329 -1.110 1.875 249 HA ILE 32 HA ILE 32 2.680 -0.331 1.758 250 HB ILE 32 HB ILE 32 3.458 -2.683 1.897 251 HG12 ILE 32 1HG1 ILE 32 1.024 -2.136 2.323 252 HG13 ILE 32 2HG1 ILE 32 1.559 -3.665 2.986 253 HG21 ILE 32 1HG2 ILE 32 3.852 -2.199 4.829 254 HG22 ILE 32 2HG2 ILE 32 5.081 -2.592 3.626 255 HG23 ILE 32 3HG2 ILE 32 3.858 -3.785 4.057 256 HD11 ILE 32 3HD1 ILE 32 0.037 -2.523 4.491 257 HD12 ILE 32 1HD1 ILE 32 1.099 -1.113 4.527 258 HD13 ILE 32 2HD1 ILE 32 1.640 -2.646 5.215 259 H VAL 33 H VAL 33 4.796 -0.159 4.574 260 HA VAL 33 HA VAL 33 2.761 0.794 6.272 261 HB VAL 33 HB VAL 33 4.786 -0.297 7.152 262 HG11 VAL 33 1HG1 VAL 33 6.256 2.196 6.339 263 HG12 VAL 33 2HG1 VAL 33 6.477 0.576 5.682 264 HG13 VAL 33 3HG1 VAL 33 6.912 0.916 7.358 265 HG21 VAL 33 3HG2 VAL 33 3.469 1.092 8.653 266 HG22 VAL 33 1HG2 VAL 33 4.419 2.508 8.206 267 HG23 VAL 33 2HG2 VAL 33 5.178 1.172 9.076 268 H ASP 34 H ASP 34 5.074 2.436 4.224 269 HA ASP 34 HA ASP 34 4.780 5.079 5.159 270 HB2 ASP 34 1HB ASP 34 6.564 4.457 3.640 271 HB3 ASP 34 2HB ASP 34 5.402 4.029 2.396 272 H HIS 35 H HIS 35 3.251 3.423 2.468 273 HA HIS 35 HA HIS 35 1.434 5.464 1.860 274 HB2 HIS 35 1HB HIS 35 1.805 3.728 0.218 275 HB3 HIS 35 2HB HIS 35 1.291 2.488 1.359 276 HD1 HIS 35 HD1 HIS 35 -0.013 4.763 -1.232 277 HD2 HIS 35 HD2 HIS 35 -1.499 2.483 1.870 278 HE1 HIS 35 HE1 HIS 35 -2.503 4.671 -1.636 279 H LEU 36 H LEU 36 1.116 2.642 3.992 280 HA LEU 36 HA LEU 36 -1.586 2.982 4.609 281 HB2 LEU 36 1HB LEU 36 -0.088 0.994 5.066 282 HB3 LEU 36 2HB LEU 36 0.578 1.884 6.407 283 HG LEU 36 HG LEU 36 -2.341 1.080 6.242 284 HD11 LEU 36 1HD1 LEU 36 -1.708 -0.746 7.761 285 HD12 LEU 36 2HD1 LEU 36 -0.009 -0.335 7.517 286 HD13 LEU 36 3HD1 LEU 36 -0.983 -0.905 6.162 287 HD21 LEU 36 3HD2 LEU 36 -1.812 2.889 7.831 288 HD22 LEU 36 1HD2 LEU 36 -0.602 1.857 8.593 289 HD23 LEU 36 2HD2 LEU 36 -2.309 1.409 8.658 290 H GLU 37 H GLU 37 1.300 4.412 6.045 291 HA GLU 37 HA GLU 37 -0.122 5.749 8.111 292 HB2 GLU 37 1HB GLU 37 2.660 6.190 7.047 293 HB3 GLU 37 2HB GLU 37 2.006 6.945 8.485 294 HG2 GLU 37 1HG GLU 37 2.482 3.998 8.062 295 HG3 GLU 37 2HG GLU 37 3.457 5.084 9.047 296 H ASN 38 H ASN 38 0.627 6.661 4.692 297 HA ASN 38 HA ASN 38 -0.089 9.415 5.442 298 HB2 ASN 38 1HB ASN 38 2.301 9.019 4.743 299 HB3 ASN 38 2HB ASN 38 1.694 8.529 3.168 300 HD21 ASN 38 2HD2 ASN 38 2.695 10.159 2.070 301 HD22 ASN 38 1HD2 ASN 38 2.240 11.823 2.200 302 H HIS 39 H HIS 39 -1.458 6.865 4.133 303 HA HIS 39 HA HIS 39 -2.064 7.941 1.719 304 HB2 HIS 39 1HB HIS 39 -3.440 6.071 1.152 305 HB3 HIS 39 2HB HIS 39 -2.059 5.604 2.145 306 HD2 HIS 39 HD2 HIS 39 -3.848 6.276 5.024 307 HE1 HIS 39 HE1 HIS 39 -5.970 2.865 3.698 308 HE2 HIS 39 HE2 HIS 39 -5.405 4.323 5.647 309 H CYS 40 H CYS 40 -4.418 8.233 0.858 310 HA CYS 40 HA CYS 40 -5.798 10.065 2.612 311 HB2 CYS 40 1HB CYS 40 -5.375 10.773 0.305 312 HB3 CYS 40 2HB CYS 40 -6.248 9.373 -0.300 313 HG CYS 40 HG CYS 40 -8.530 10.577 1.436 314 H ALA 41 H ALA 41 -7.522 9.568 3.689 315 HA ALA 41 HA ALA 41 -8.872 7.020 3.319 316 HB1 ALA 41 3HB ALA 41 -9.197 9.242 5.357 317 HB2 ALA 41 1HB ALA 41 -8.327 7.733 5.603 318 HB3 ALA 41 2HB ALA 41 -10.078 7.719 5.397 319 H GLY 42 H GLY 42 -11.190 6.991 2.914 320 HA2 GLY 42 1HA GLY 42 -13.212 8.072 2.257 321 HA3 GLY 42 2HA GLY 42 -12.287 9.527 1.941 322 H ALA 43 H ALA 43 -11.048 6.554 0.776 323 HA ALA 43 HA ALA 43 -11.273 7.544 -1.932 324 HB1 ALA 43 3HB ALA 43 -9.139 6.608 -1.149 325 HB2 ALA 43 1HB ALA 43 -9.786 5.692 -2.510 326 HB3 ALA 43 2HB ALA 43 -9.927 5.057 -0.869 327 H SER 44 H SER 44 -13.091 7.156 -3.007 328 HA SER 44 HA SER 44 -14.235 4.493 -2.925 329 HB2 SER 44 1HB SER 44 -15.784 7.096 -2.797 330 HB3 SER 44 2HB SER 44 -16.475 5.475 -2.875 331 HG SER 44 HG SER 44 -14.667 5.687 -0.889 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 -2.794 -20.371 -17.123 2 H2 ASN 1 2H ASN 1 -4.187 -21.208 -16.696 3 H3 ASN 1 3H ASN 1 -4.006 -19.557 -16.318 4 HA ASN 1 HA ASN 1 -4.114 -20.648 -19.045 5 HB2 ASN 1 1HB ASN 1 -6.177 -19.090 -17.455 6 HB3 ASN 1 2HB ASN 1 -6.273 -19.369 -19.189 7 HD21 ASN 1 2HD2 ASN 1 -6.891 -21.374 -19.939 8 HD22 ASN 1 1HD2 ASN 1 -7.485 -22.611 -18.910 9 HA PRO 2 HA PRO 2 -1.965 -16.818 -19.681 10 HB2 PRO 2 1HB PRO 2 -1.548 -17.031 -22.314 11 HB3 PRO 2 2HB PRO 2 -0.702 -18.074 -21.166 12 HG2 PRO 2 1HG PRO 2 -3.105 -18.678 -22.847 13 HG3 PRO 2 2HG PRO 2 -1.684 -19.688 -22.525 14 HD2 PRO 2 1HD PRO 2 -4.080 -19.957 -21.218 15 HD3 PRO 2 2HD PRO 2 -2.516 -20.428 -20.527 16 H ASN 3 H ASN 3 -2.157 -14.914 -21.097 17 HA ASN 3 HA ASN 3 -4.974 -14.328 -21.695 18 HB2 ASN 3 1HB ASN 3 -3.968 -12.810 -20.048 19 HB3 ASN 3 2HB ASN 3 -2.621 -12.495 -21.126 20 HD21 ASN 3 2HD2 ASN 3 -5.995 -11.821 -20.468 21 HD22 ASN 3 1HD2 ASN 3 -6.109 -10.485 -21.543 22 H ALA 4 H ALA 4 -1.839 -13.282 -22.835 23 HA ALA 4 HA ALA 4 -2.181 -14.081 -25.540 24 HB1 ALA 4 3HB ALA 4 -1.947 -11.774 -26.474 25 HB2 ALA 4 1HB ALA 4 -2.136 -11.119 -24.849 26 HB3 ALA 4 2HB ALA 4 -3.479 -11.962 -25.619 27 H GLN 5 H GLN 5 -0.688 -11.796 -23.366 28 HA GLN 5 HA GLN 5 2.002 -12.526 -24.035 29 HB2 GLN 5 1HB GLN 5 0.835 -11.151 -21.600 30 HB3 GLN 5 2HB GLN 5 2.546 -11.261 -21.974 31 HG2 GLN 5 1HG GLN 5 2.269 -9.841 -23.883 32 HG3 GLN 5 2HG GLN 5 0.514 -9.838 -23.673 33 HE21 GLN 5 2HE2 GLN 5 3.538 -8.673 -22.407 34 HE22 GLN 5 1HE2 GLN 5 2.840 -7.481 -21.366 35 H LEU 6 H LEU 6 3.336 -13.697 -22.497 36 HA LEU 6 HA LEU 6 1.999 -15.965 -21.370 37 HB2 LEU 6 1HB LEU 6 4.900 -15.117 -21.170 38 HB3 LEU 6 2HB LEU 6 4.241 -16.689 -20.749 39 HG LEU 6 HG LEU 6 4.324 -15.528 -23.531 40 HD11 LEU 6 1HD1 LEU 6 6.531 -16.158 -22.720 41 HD12 LEU 6 2HD1 LEU 6 5.974 -17.275 -23.965 42 HD13 LEU 6 3HD1 LEU 6 5.921 -17.750 -22.269 43 HD21 LEU 6 3HD2 LEU 6 2.390 -16.973 -23.213 44 HD22 LEU 6 1HD2 LEU 6 3.430 -18.229 -22.538 45 HD23 LEU 6 2HD2 LEU 6 3.595 -17.760 -24.227 46 H ILE 7 H ILE 7 1.996 -16.519 -19.124 47 HA ILE 7 HA ILE 7 1.568 -14.165 -17.517 48 HB ILE 7 HB ILE 7 1.187 -17.087 -16.812 49 HG12 ILE 7 1HG1 ILE 7 -0.268 -16.422 -18.643 50 HG13 ILE 7 2HG1 ILE 7 -1.218 -16.696 -17.190 51 HG21 ILE 7 1HG2 ILE 7 0.224 -14.616 -15.377 52 HG22 ILE 7 2HG2 ILE 7 1.466 -15.734 -14.812 53 HG23 ILE 7 3HG2 ILE 7 -0.208 -16.271 -14.952 54 HD11 ILE 7 3HD1 ILE 7 -1.325 -14.248 -16.850 55 HD12 ILE 7 1HD1 ILE 7 -2.031 -14.754 -18.385 56 HD13 ILE 7 2HD1 ILE 7 -0.428 -14.025 -18.353 57 H GLU 8 H GLU 8 3.361 -13.300 -16.820 58 HA GLU 8 HA GLU 8 5.452 -15.021 -15.758 59 HB2 GLU 8 1HB GLU 8 5.385 -12.169 -16.645 60 HB3 GLU 8 2HB GLU 8 6.681 -12.763 -15.623 61 HG2 GLU 8 1HG GLU 8 5.927 -13.948 -18.277 62 HG3 GLU 8 2HG GLU 8 7.229 -12.783 -18.027 63 H ASP 9 H ASP 9 5.181 -15.516 -13.762 64 HA ASP 9 HA ASP 9 4.594 -13.393 -11.878 65 HB2 ASP 9 1HB ASP 9 3.856 -15.162 -10.314 66 HB3 ASP 9 2HB ASP 9 2.920 -15.225 -11.797 67 HA PRO 10 HA PRO 10 8.873 -13.502 -11.042 68 HB2 PRO 10 1HB PRO 10 8.779 -12.756 -8.355 69 HB3 PRO 10 2HB PRO 10 8.810 -11.659 -9.736 70 HG2 PRO 10 1HG PRO 10 6.486 -12.612 -8.130 71 HG3 PRO 10 2HG PRO 10 6.783 -11.014 -8.834 72 HD2 PRO 10 1HD PRO 10 5.064 -12.737 -9.941 73 HD3 PRO 10 2HD PRO 10 6.079 -11.674 -10.941 74 H LEU 11 H LEU 11 10.142 -15.184 -10.692 75 HA LEU 11 HA LEU 11 9.317 -17.162 -8.732 76 HB2 LEU 11 1HB LEU 11 10.782 -18.764 -10.017 77 HB3 LEU 11 2HB LEU 11 9.314 -18.251 -10.792 78 HG LEU 11 HG LEU 11 10.722 -16.658 -12.176 79 HD11 LEU 11 1HD1 LEU 11 12.721 -16.577 -10.789 80 HD12 LEU 11 2HD1 LEU 11 13.095 -17.155 -12.414 81 HD13 LEU 11 3HD1 LEU 11 12.999 -18.295 -11.070 82 HD21 LEU 11 3HD2 LEU 11 11.457 -18.447 -13.684 83 HD22 LEU 11 1HD2 LEU 11 9.835 -18.710 -13.030 84 HD23 LEU 11 2HD2 LEU 11 11.199 -19.608 -12.373 85 H ASP 12 H ASP 12 10.812 -18.140 -7.392 86 HA ASP 12 HA ASP 12 12.376 -18.155 -5.789 87 HB2 ASP 12 1HB ASP 12 14.082 -18.429 -7.534 88 HB3 ASP 12 2HB ASP 12 14.121 -16.689 -7.795 89 H LYS 13 H LYS 13 12.659 -14.997 -7.279 90 HA LYS 13 HA LYS 13 12.679 -13.658 -4.643 91 HB2 LYS 13 1HB LYS 13 14.295 -12.993 -6.583 92 HB3 LYS 13 2HB LYS 13 12.785 -12.499 -7.375 93 HG2 LYS 13 1HG LYS 13 12.332 -10.882 -5.667 94 HG3 LYS 13 2HG LYS 13 13.806 -11.341 -4.804 95 HD2 LYS 13 1HD LYS 13 15.149 -10.648 -6.712 96 HD3 LYS 13 2HD LYS 13 13.694 -10.243 -7.607 97 HE2 LYS 13 1HE LYS 13 14.720 -8.242 -6.677 98 HE3 LYS 13 2HE LYS 13 13.134 -8.533 -5.974 99 HZ1 LYS 13 3HZ LYS 13 14.781 -7.876 -4.311 100 HZ2 LYS 13 1HZ LYS 13 15.724 -9.211 -4.685 101 HZ3 LYS 13 2HZ LYS 13 14.211 -9.427 -3.995 102 HA PRO 14 HA PRO 14 8.510 -12.991 -5.460 103 HB2 PRO 14 1HB PRO 14 7.728 -12.504 -2.989 104 HB3 PRO 14 2HB PRO 14 8.478 -14.064 -3.458 105 HG2 PRO 14 1HG PRO 14 9.808 -11.779 -2.074 106 HG3 PRO 14 2HG PRO 14 9.755 -13.490 -1.599 107 HD2 PRO 14 1HD PRO 14 11.760 -12.349 -3.117 108 HD3 PRO 14 2HD PRO 14 11.344 -14.080 -3.116 109 H ILE 15 H ILE 15 7.932 -11.205 -6.438 110 HA ILE 15 HA ILE 15 8.759 -8.597 -5.405 111 HB ILE 15 HB ILE 15 7.051 -9.182 -7.807 112 HG12 ILE 15 1HG1 ILE 15 9.237 -10.225 -8.159 113 HG13 ILE 15 2HG1 ILE 15 9.051 -8.845 -9.237 114 HG21 ILE 15 1HG2 ILE 15 6.827 -6.907 -7.019 115 HG22 ILE 15 2HG2 ILE 15 7.716 -6.891 -8.543 116 HG23 ILE 15 3HG2 ILE 15 8.578 -6.698 -7.022 117 HD11 ILE 15 3HD1 ILE 15 10.642 -8.913 -6.677 118 HD12 ILE 15 1HD1 ILE 15 10.458 -7.513 -7.734 119 HD13 ILE 15 2HD1 ILE 15 11.295 -8.951 -8.318 120 H GLN 16 H GLN 16 7.750 -8.105 -3.886 121 HA GLN 16 HA GLN 16 5.157 -9.180 -3.227 122 HB2 GLN 16 1HB GLN 16 6.141 -7.313 -1.284 123 HB3 GLN 16 2HB GLN 16 5.795 -9.024 -1.083 124 HG2 GLN 16 1HG GLN 16 8.059 -8.666 -0.447 125 HG3 GLN 16 2HG GLN 16 8.110 -9.454 -2.017 126 HE21 GLN 16 2HE2 GLN 16 7.329 -6.065 -1.764 127 HE22 GLN 16 1HE2 GLN 16 8.817 -5.460 -2.382 128 H TYR 17 H TYR 17 3.435 -8.187 -3.943 129 HA TYR 17 HA TYR 17 3.123 -5.319 -3.540 130 HB2 TYR 17 1HB TYR 17 2.754 -6.822 -6.103 131 HB3 TYR 17 2HB TYR 17 1.643 -5.511 -5.735 132 HD1 TYR 17 HD2 TYR 17 5.299 -6.222 -5.934 133 HD2 TYR 17 HD1 TYR 17 2.205 -3.355 -6.366 134 HE1 TYR 17 HE2 TYR 17 6.933 -4.595 -6.805 135 HE2 TYR 17 HE1 TYR 17 3.817 -1.728 -7.237 136 HH TYR 17 HH TYR 17 6.955 -2.598 -8.181 137 H ARG 18 H ARG 18 1.090 -4.678 -3.045 138 HA ARG 18 HA ARG 18 -0.985 -6.719 -2.692 139 HB2 ARG 18 1HB ARG 18 0.181 -6.640 -0.581 140 HB3 ARG 18 2HB ARG 18 0.150 -4.884 -0.580 141 HG2 ARG 18 1HG ARG 18 -2.282 -4.942 -0.380 142 HG3 ARG 18 2HG ARG 18 -2.239 -6.704 -0.309 143 HD2 ARG 18 1HD ARG 18 -0.934 -4.798 1.629 144 HD3 ARG 18 2HD ARG 18 -2.412 -5.713 1.908 145 HE ARG 18 HE ARG 18 -0.383 -7.514 1.269 146 HH11 ARG 18 1HH1 ARG 18 -1.275 -5.307 3.898 147 HH12 ARG 18 2HH1 ARG 18 -0.475 -6.192 5.103 148 HH21 ARG 18 1HH2 ARG 18 0.742 -8.732 2.939 149 HH22 ARG 18 2HH2 ARG 18 0.701 -8.168 4.549 150 H VAL 19 H VAL 19 -3.006 -5.851 -3.163 151 HA VAL 19 HA VAL 19 -3.060 -3.039 -3.814 152 HB VAL 19 HB VAL 19 -5.380 -3.349 -4.595 153 HG11 VAL 19 1HG1 VAL 19 -3.650 -3.709 -6.192 154 HG12 VAL 19 2HG1 VAL 19 -4.956 -4.856 -6.489 155 HG13 VAL 19 3HG1 VAL 19 -3.475 -5.389 -5.688 156 HG21 VAL 19 3HG2 VAL 19 -5.066 -6.242 -3.760 157 HG22 VAL 19 1HG2 VAL 19 -6.394 -5.591 -4.730 158 HG23 VAL 19 2HG2 VAL 19 -6.173 -5.044 -3.075 159 H CYS 20 H CYS 20 -3.610 -1.536 -2.571 160 HA CYS 20 HA CYS 20 -4.142 -1.906 0.165 161 HB2 CYS 20 1HB CYS 20 -3.138 0.140 -0.561 162 HB3 CYS 20 2HB CYS 20 -4.526 0.512 -1.585 163 H GLU 21 H GLU 21 -5.984 -1.843 1.410 164 HA GLU 21 HA GLU 21 -8.394 -2.803 0.369 165 HB2 GLU 21 1HB GLU 21 -8.022 -1.289 2.952 166 HB3 GLU 21 2HB GLU 21 -9.285 -2.423 2.556 167 HG2 GLU 21 1HG GLU 21 -6.373 -3.125 2.865 168 HG3 GLU 21 2HG GLU 21 -7.618 -3.338 4.089 169 H LYS 22 H LYS 22 -7.465 0.420 1.519 170 HA LYS 22 HA LYS 22 -10.055 1.493 0.934 171 HB2 LYS 22 1HB LYS 22 -7.542 2.930 1.767 172 HB3 LYS 22 2HB LYS 22 -9.113 3.681 1.570 173 HG2 LYS 22 1HG LYS 22 -9.972 2.151 3.354 174 HG3 LYS 22 2HG LYS 22 -8.300 1.646 3.625 175 HD2 LYS 22 1HD LYS 22 -7.675 4.000 4.068 176 HD3 LYS 22 2HD LYS 22 -9.347 4.468 3.789 177 HE2 LYS 22 1HE LYS 22 -10.041 3.014 5.677 178 HE3 LYS 22 2HE LYS 22 -8.347 2.682 6.002 179 HZ1 LYS 22 3HZ LYS 22 -9.187 4.437 7.430 180 HZ2 LYS 22 1HZ LYS 22 -9.624 5.371 6.112 181 HZ3 LYS 22 2HZ LYS 22 -8.002 5.048 6.436 182 H CYS 23 H CYS 23 -7.034 1.426 -0.756 183 HA CYS 23 HA CYS 23 -8.042 3.543 -2.524 184 HB2 CYS 23 1HB CYS 23 -5.215 2.550 -2.297 185 HB3 CYS 23 2HB CYS 23 -5.773 3.960 -3.186 186 H GLY 24 H GLY 24 -6.847 0.185 -2.658 187 HA2 GLY 24 1HA GLY 24 -7.311 -1.314 -4.314 188 HA3 GLY 24 2HA GLY 24 -7.914 -0.027 -5.342 189 H LYS 25 H LYS 25 -5.113 1.228 -4.438 190 HA LYS 25 HA LYS 25 -3.685 0.434 -6.790 191 HB2 LYS 25 1HB LYS 25 -2.983 2.173 -4.475 192 HB3 LYS 25 2HB LYS 25 -1.722 1.613 -5.554 193 HG2 LYS 25 1HG LYS 25 -3.124 2.598 -7.438 194 HG3 LYS 25 2HG LYS 25 -4.047 3.401 -6.163 195 HD2 LYS 25 1HD LYS 25 -1.088 3.520 -6.366 196 HD3 LYS 25 2HD LYS 25 -2.100 4.735 -7.162 197 HE2 LYS 25 1HE LYS 25 -2.025 4.131 -4.186 198 HE3 LYS 25 2HE LYS 25 -1.190 5.471 -4.966 199 HZ1 LYS 25 3HZ LYS 25 -3.254 6.203 -3.985 200 HZ2 LYS 25 1HZ LYS 25 -4.136 5.071 -4.900 201 HZ3 LYS 25 2HZ LYS 25 -3.337 6.320 -5.676 202 HA PRO 26 HA PRO 26 -1.401 -2.902 -4.898 203 HB2 PRO 26 1HB PRO 26 0.076 -3.541 -7.087 204 HB3 PRO 26 2HB PRO 26 -1.594 -4.072 -6.892 205 HG2 PRO 26 1HG PRO 26 -0.481 -1.937 -8.616 206 HG3 PRO 26 2HG PRO 26 -1.912 -2.946 -8.857 207 HD2 PRO 26 1HD PRO 26 -1.888 -0.293 -7.958 208 HD3 PRO 26 2HD PRO 26 -3.259 -1.417 -7.861 209 H LEU 27 H LEU 27 0.063 -2.239 -3.558 210 HA LEU 27 HA LEU 27 2.321 -0.655 -4.551 211 HB2 LEU 27 1HB LEU 27 2.588 0.208 -2.257 212 HB3 LEU 27 2HB LEU 27 1.072 0.689 -2.987 213 HG LEU 27 HG LEU 27 1.069 -1.717 -1.200 214 HD11 LEU 27 1HD1 LEU 27 0.750 -0.281 0.725 215 HD12 LEU 27 2HD1 LEU 27 1.077 1.141 -0.269 216 HD13 LEU 27 3HD1 LEU 27 2.356 -0.043 0.033 217 HD21 LEU 27 3HD2 LEU 27 -1.145 -0.854 -0.651 218 HD22 LEU 27 1HD2 LEU 27 -0.956 -1.039 -2.396 219 HD23 LEU 27 2HD2 LEU 27 -0.849 0.560 -1.671 220 H ALA 28 H ALA 28 4.324 -1.133 -3.630 221 HA ALA 28 HA ALA 28 4.700 -3.922 -3.171 222 HB1 ALA 28 3HB ALA 28 6.358 -2.615 -4.390 223 HB2 ALA 28 1HB ALA 28 7.068 -3.348 -2.952 224 HB3 ALA 28 2HB ALA 28 6.652 -1.629 -2.958 225 H LEU 29 H LEU 29 5.294 -4.918 -1.302 226 HA LEU 29 HA LEU 29 4.378 -3.821 1.155 227 HB2 LEU 29 1HB LEU 29 5.955 -6.303 0.549 228 HB3 LEU 29 2HB LEU 29 5.718 -5.800 2.204 229 HG LEU 29 HG LEU 29 4.131 -7.520 1.637 230 HD11 LEU 29 1HD1 LEU 29 3.414 -5.819 3.198 231 HD12 LEU 29 2HD1 LEU 29 2.067 -6.450 2.260 232 HD13 LEU 29 3HD1 LEU 29 2.734 -4.868 1.874 233 HD21 LEU 29 3HD2 LEU 29 2.367 -7.185 -0.040 234 HD22 LEU 29 1HD2 LEU 29 3.970 -7.221 -0.776 235 HD23 LEU 29 2HD2 LEU 29 3.143 -5.683 -0.546 236 H THR 30 H THR 30 7.220 -3.287 -0.452 237 HA THR 30 HA THR 30 8.939 -2.724 1.725 238 HB THR 30 HB THR 30 9.090 -1.585 -1.059 239 HG1 THR 30 HG1 THR 30 10.146 -3.680 -1.522 240 HG21 THR 30 3HG2 THR 30 11.180 -2.688 0.848 241 HG22 THR 30 1HG2 THR 30 10.849 -0.976 0.582 242 HG23 THR 30 2HG2 THR 30 11.498 -1.962 -0.728 243 H ALA 31 H ALA 31 6.212 -1.159 0.325 244 HA ALA 31 HA ALA 31 6.991 1.419 1.503 245 HB1 ALA 31 3HB ALA 31 5.741 2.543 -0.264 246 HB2 ALA 31 1HB ALA 31 5.330 0.985 -0.981 247 HB3 ALA 31 2HB ALA 31 7.008 1.523 -0.946 248 H ILE 32 H ILE 32 5.193 -1.082 2.201 249 HA ILE 32 HA ILE 32 2.535 -0.216 2.174 250 HB ILE 32 HB ILE 32 2.994 -2.589 2.413 251 HG12 ILE 32 1HG1 ILE 32 1.444 -3.191 4.265 252 HG13 ILE 32 2HG1 ILE 32 1.536 -1.537 4.854 253 HG21 ILE 32 1HG2 ILE 32 4.998 -2.502 3.750 254 HG22 ILE 32 2HG2 ILE 32 3.811 -3.579 4.480 255 HG23 ILE 32 3HG2 ILE 32 4.067 -1.964 5.148 256 HD11 ILE 32 3HD1 ILE 32 0.445 -2.375 2.175 257 HD12 ILE 32 1HD1 ILE 32 0.471 -0.738 2.829 258 HD13 ILE 32 2HD1 ILE 32 -0.514 -1.978 3.602 259 H VAL 33 H VAL 33 4.878 0.061 4.859 260 HA VAL 33 HA VAL 33 2.946 1.082 6.653 261 HB VAL 33 HB VAL 33 5.068 0.178 7.528 262 HG11 VAL 33 1HG1 VAL 33 7.163 1.429 7.438 263 HG12 VAL 33 2HG1 VAL 33 6.408 2.615 6.374 264 HG13 VAL 33 3HG1 VAL 33 6.623 0.956 5.825 265 HG21 VAL 33 3HG2 VAL 33 4.697 3.080 8.245 266 HG22 VAL 33 1HG2 VAL 33 5.564 1.887 9.215 267 HG23 VAL 33 2HG2 VAL 33 3.828 1.711 8.936 268 H ASP 34 H ASP 34 5.155 2.681 4.500 269 HA ASP 34 HA ASP 34 4.704 5.354 5.216 270 HB2 ASP 34 1HB ASP 34 6.544 4.712 3.767 271 HB3 ASP 34 2HB ASP 34 5.416 4.152 2.541 272 H HIS 35 H HIS 35 3.327 3.475 2.563 273 HA HIS 35 HA HIS 35 1.451 5.379 1.803 274 HB2 HIS 35 1HB HIS 35 1.933 3.552 0.287 275 HB3 HIS 35 2HB HIS 35 1.391 2.372 1.477 276 HD1 HIS 35 HD1 HIS 35 0.131 4.561 -1.226 277 HD2 HIS 35 HD2 HIS 35 -1.440 2.365 1.907 278 HE1 HIS 35 HE1 HIS 35 -2.334 4.466 -1.678 279 H LEU 36 H LEU 36 1.114 2.636 4.062 280 HA LEU 36 HA LEU 36 -1.655 2.927 4.354 281 HB2 LEU 36 1HB LEU 36 -0.184 0.945 4.965 282 HB3 LEU 36 2HB LEU 36 0.182 1.790 6.451 283 HG LEU 36 HG LEU 36 -2.310 1.839 6.870 284 HD11 LEU 36 1HD1 LEU 36 -2.305 -0.160 4.631 285 HD12 LEU 36 2HD1 LEU 36 -3.115 1.409 4.651 286 HD13 LEU 36 3HD1 LEU 36 -3.645 0.128 5.737 287 HD21 LEU 36 3HD2 LEU 36 -0.820 0.328 8.067 288 HD22 LEU 36 1HD2 LEU 36 -0.923 -0.838 6.751 289 HD23 LEU 36 2HD2 LEU 36 -2.354 -0.467 7.713 290 H GLU 37 H GLU 37 1.004 4.527 5.971 291 HA GLU 37 HA GLU 37 -0.770 5.784 7.875 292 HB2 GLU 37 1HB GLU 37 2.170 6.079 7.323 293 HB3 GLU 37 2HB GLU 37 1.319 6.991 8.559 294 HG2 GLU 37 1HG GLU 37 1.402 3.990 8.468 295 HG3 GLU 37 2HG GLU 37 2.547 4.974 9.373 296 H ASN 38 H ASN 38 0.492 6.593 4.651 297 HA ASN 38 HA ASN 38 -0.012 9.420 5.137 298 HB2 ASN 38 1HB ASN 38 2.188 8.945 4.268 299 HB3 ASN 38 2HB ASN 38 1.520 7.920 3.012 300 HD21 ASN 38 2HD2 ASN 38 2.079 11.177 4.051 301 HD22 ASN 38 1HD2 ASN 38 1.791 11.932 2.526 302 H HIS 39 H HIS 39 -1.515 6.764 3.986 303 HA HIS 39 HA HIS 39 -2.234 7.805 1.663 304 HB2 HIS 39 1HB HIS 39 -3.600 5.917 1.139 305 HB3 HIS 39 2HB HIS 39 -2.151 5.524 2.050 306 HD2 HIS 39 HD2 HIS 39 -3.873 6.031 5.028 307 HE1 HIS 39 HE1 HIS 39 -5.783 2.514 3.635 308 HE2 HIS 39 HE2 HIS 39 -5.165 3.874 5.631 309 H CYS 40 H CYS 40 -3.749 9.080 0.918 310 HA CYS 40 HA CYS 40 -5.750 10.093 2.798 311 HB2 CYS 40 1HB CYS 40 -4.163 11.771 2.029 312 HB3 CYS 40 2HB CYS 40 -4.504 11.360 0.355 313 HG CYS 40 HG CYS 40 -7.147 12.274 0.441 314 H ALA 41 H ALA 41 -7.860 10.146 2.235 315 HA ALA 41 HA ALA 41 -8.843 8.452 0.218 316 HB1 ALA 41 3HB ALA 41 -10.251 10.675 1.711 317 HB2 ALA 41 1HB ALA 41 -10.128 8.999 2.246 318 HB3 ALA 41 2HB ALA 41 -11.033 9.391 0.785 319 H GLY 42 H GLY 42 -9.718 8.961 -1.758 320 HA2 GLY 42 1HA GLY 42 -10.394 10.601 -3.417 321 HA3 GLY 42 2HA GLY 42 -9.140 11.665 -2.780 322 H ALA 43 H ALA 43 -7.207 9.629 -2.446 323 HA ALA 43 HA ALA 43 -6.421 9.249 -5.213 324 HB1 ALA 43 3HB ALA 43 -4.200 8.708 -4.272 325 HB2 ALA 43 1HB ALA 43 -4.852 8.903 -2.646 326 HB3 ALA 43 2HB ALA 43 -4.768 10.288 -3.733 327 H SER 44 H SER 44 -7.339 7.496 -5.978 328 HA SER 44 HA SER 44 -7.723 5.167 -4.309 329 HB2 SER 44 1HB SER 44 -9.539 6.088 -5.799 330 HB3 SER 44 2HB SER 44 -8.554 5.668 -7.188 331 HG SER 44 HG SER 44 -8.720 3.504 -5.680 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 35.419 -4.405 -12.636 2 H2 ASN 1 2H ASN 1 35.598 -3.475 -14.026 3 H3 ASN 1 3H ASN 1 35.721 -5.149 -14.125 4 HA ASN 1 HA ASN 1 33.676 -4.287 -15.014 5 HB2 ASN 1 1HB ASN 1 33.672 -6.578 -14.141 6 HB3 ASN 1 2HB ASN 1 33.259 -6.024 -12.537 7 HD21 ASN 1 2HD2 ASN 1 31.300 -7.050 -12.349 8 HD22 ASN 1 1HD2 ASN 1 29.946 -6.688 -13.338 9 HA PRO 2 HA PRO 2 31.201 -1.953 -11.865 10 HB2 PRO 2 1HB PRO 2 31.660 -2.081 -9.194 11 HB3 PRO 2 2HB PRO 2 30.786 -3.330 -10.082 12 HG2 PRO 2 1HG PRO 2 33.420 -3.456 -8.851 13 HG3 PRO 2 2HG PRO 2 32.421 -4.776 -9.481 14 HD2 PRO 2 1HD PRO 2 34.648 -3.353 -10.699 15 HD3 PRO 2 2HD PRO 2 33.917 -4.884 -11.197 16 H ASN 3 H ASN 3 33.486 -0.867 -12.924 17 HA ASN 3 HA ASN 3 34.544 1.058 -13.145 18 HB2 ASN 3 1HB ASN 3 32.582 2.235 -12.262 19 HB3 ASN 3 2HB ASN 3 33.130 1.950 -10.613 20 HD21 ASN 3 2HD2 ASN 3 33.594 3.806 -13.496 21 HD22 ASN 3 1HD2 ASN 3 34.655 4.988 -12.824 22 H ALA 4 H ALA 4 34.665 0.314 -9.671 23 HA ALA 4 HA ALA 4 37.513 -0.011 -10.036 24 HB1 ALA 4 3HB ALA 4 38.142 1.451 -8.188 25 HB2 ALA 4 1HB ALA 4 36.456 1.902 -7.949 26 HB3 ALA 4 2HB ALA 4 37.287 2.356 -9.435 27 H GLN 5 H GLN 5 35.343 0.291 -7.215 28 HA GLN 5 HA GLN 5 36.422 -2.260 -6.343 29 HB2 GLN 5 1HB GLN 5 34.892 -0.199 -4.758 30 HB3 GLN 5 2HB GLN 5 35.510 -1.718 -4.128 31 HG2 GLN 5 1HG GLN 5 37.807 -0.938 -4.767 32 HG3 GLN 5 2HG GLN 5 37.093 0.625 -5.146 33 HE21 GLN 5 2HE2 GLN 5 36.038 -1.397 -2.503 34 HE22 GLN 5 1HE2 GLN 5 36.609 -0.386 -1.243 35 H LEU 6 H LEU 6 34.963 -3.751 -5.304 36 HA LEU 6 HA LEU 6 32.853 -4.356 -7.104 37 HB2 LEU 6 1HB LEU 6 33.677 -5.674 -4.541 38 HB3 LEU 6 2HB LEU 6 32.507 -6.307 -5.673 39 HG LEU 6 HG LEU 6 35.418 -5.850 -6.288 40 HD11 LEU 6 1HD1 LEU 6 33.886 -8.369 -5.683 41 HD12 LEU 6 2HD1 LEU 6 35.118 -7.623 -4.664 42 HD13 LEU 6 3HD1 LEU 6 35.558 -8.292 -6.237 43 HD21 LEU 6 3HD2 LEU 6 34.085 -5.673 -8.279 44 HD22 LEU 6 1HD2 LEU 6 33.176 -7.123 -7.836 45 HD23 LEU 6 2HD2 LEU 6 34.875 -7.249 -8.254 46 H ILE 7 H ILE 7 30.913 -3.587 -7.039 47 HA ILE 7 HA ILE 7 29.677 -2.802 -4.559 48 HB ILE 7 HB ILE 7 29.092 -1.522 -6.591 49 HG12 ILE 7 1HG1 ILE 7 26.746 -3.213 -5.685 50 HG13 ILE 7 2HG1 ILE 7 27.346 -1.768 -4.875 51 HG21 ILE 7 1HG2 ILE 7 29.490 -3.175 -8.295 52 HG22 ILE 7 2HG2 ILE 7 27.869 -2.505 -8.477 53 HG23 ILE 7 3HG2 ILE 7 28.087 -4.105 -7.766 54 HD11 ILE 7 3HD1 ILE 7 26.131 -1.882 -7.629 55 HD12 ILE 7 1HD1 ILE 7 26.729 -0.429 -6.828 56 HD13 ILE 7 2HD1 ILE 7 25.342 -1.291 -6.164 57 H GLU 8 H GLU 8 28.369 -4.152 -3.399 58 HA GLU 8 HA GLU 8 28.487 -6.895 -4.272 59 HB2 GLU 8 1HB GLU 8 27.644 -5.722 -1.635 60 HB3 GLU 8 2HB GLU 8 27.694 -7.447 -1.995 61 HG2 GLU 8 1HG GLU 8 30.112 -7.210 -2.504 62 HG3 GLU 8 2HG GLU 8 30.013 -5.534 -1.971 63 H ASP 9 H ASP 9 27.021 -7.727 -5.368 64 HA ASP 9 HA ASP 9 24.530 -6.565 -5.933 65 HB2 ASP 9 1HB ASP 9 25.749 -8.087 -7.450 66 HB3 ASP 9 2HB ASP 9 25.424 -9.420 -6.355 67 HA PRO 10 HA PRO 10 22.407 -7.810 -2.169 68 HB2 PRO 10 1HB PRO 10 19.955 -7.107 -3.652 69 HB3 PRO 10 2HB PRO 10 20.589 -6.439 -2.146 70 HG2 PRO 10 1HG PRO 10 20.659 -5.048 -4.430 71 HG3 PRO 10 2HG PRO 10 21.964 -4.943 -3.234 72 HD2 PRO 10 1HD PRO 10 21.866 -6.461 -5.814 73 HD3 PRO 10 2HD PRO 10 23.183 -5.511 -5.093 74 H LEU 11 H LEU 11 20.687 -9.192 -1.477 75 HA LEU 11 HA LEU 11 20.717 -11.741 -2.733 76 HB2 LEU 11 1HB LEU 11 20.640 -11.279 -0.291 77 HB3 LEU 11 2HB LEU 11 19.020 -10.654 -0.488 78 HG LEU 11 HG LEU 11 18.348 -12.944 -1.284 79 HD11 LEU 11 1HD1 LEU 11 19.805 -14.811 -0.706 80 HD12 LEU 11 2HD1 LEU 11 21.068 -13.679 -0.224 81 HD13 LEU 11 3HD1 LEU 11 20.561 -13.762 -1.905 82 HD21 LEU 11 3HD2 LEU 11 19.445 -12.635 1.507 83 HD22 LEU 11 1HD2 LEU 11 18.304 -13.875 0.988 84 HD23 LEU 11 2HD2 LEU 11 17.836 -12.176 0.945 85 H ASP 12 H ASP 12 18.913 -12.848 -3.669 86 HA ASP 12 HA ASP 12 17.072 -11.200 -5.126 87 HB2 ASP 12 1HB ASP 12 17.195 -14.217 -4.877 88 HB3 ASP 12 2HB ASP 12 16.009 -13.367 -5.845 89 H LYS 13 H LYS 13 15.742 -10.179 -3.840 90 HA LYS 13 HA LYS 13 13.946 -11.790 -2.133 91 HB2 LYS 13 1HB LYS 13 14.777 -8.915 -1.905 92 HB3 LYS 13 2HB LYS 13 13.481 -9.672 -1.001 93 HG2 LYS 13 1HG LYS 13 15.089 -11.127 0.108 94 HG3 LYS 13 2HG LYS 13 16.394 -10.457 -0.874 95 HD2 LYS 13 1HD LYS 13 16.332 -9.453 1.375 96 HD3 LYS 13 2HD LYS 13 16.043 -8.262 0.105 97 HE2 LYS 13 1HE LYS 13 13.628 -8.407 0.520 98 HE3 LYS 13 2HE LYS 13 13.919 -9.595 1.790 99 HZ1 LYS 13 3HZ LYS 13 15.112 -7.930 3.019 100 HZ2 LYS 13 1HZ LYS 13 13.577 -7.362 2.626 101 HZ3 LYS 13 2HZ LYS 13 14.918 -6.809 1.773 102 HA PRO 14 HA PRO 14 11.012 -10.320 -4.855 103 HB2 PRO 14 1HB PRO 14 9.153 -12.144 -4.349 104 HB3 PRO 14 2HB PRO 14 10.745 -12.572 -5.049 105 HG2 PRO 14 1HG PRO 14 9.861 -12.887 -2.226 106 HG3 PRO 14 2HG PRO 14 10.663 -14.056 -3.295 107 HD2 PRO 14 1HD PRO 14 11.947 -12.368 -1.508 108 HD3 PRO 14 2HD PRO 14 12.703 -13.177 -2.905 109 H ILE 15 H ILE 15 9.898 -8.623 -4.407 110 HA ILE 15 HA ILE 15 8.669 -8.278 -1.776 111 HB ILE 15 HB ILE 15 9.235 -6.188 -3.900 112 HG12 ILE 15 1HG1 ILE 15 10.743 -6.712 -1.318 113 HG13 ILE 15 2HG1 ILE 15 11.321 -7.133 -2.924 114 HG21 ILE 15 1HG2 ILE 15 7.365 -5.600 -2.454 115 HG22 ILE 15 2HG2 ILE 15 8.750 -4.566 -2.099 116 HG23 ILE 15 3HG2 ILE 15 8.351 -5.898 -1.022 117 HD11 ILE 15 3HD1 ILE 15 12.375 -5.107 -2.104 118 HD12 ILE 15 1HD1 ILE 15 10.797 -4.349 -1.894 119 HD13 ILE 15 2HD1 ILE 15 11.375 -4.749 -3.510 120 H GLN 16 H GLN 16 6.546 -8.302 -1.728 121 HA GLN 16 HA GLN 16 5.258 -8.884 -4.258 122 HB2 GLN 16 1HB GLN 16 4.058 -9.178 -1.505 123 HB3 GLN 16 2HB GLN 16 3.424 -9.824 -3.012 124 HG2 GLN 16 1HG GLN 16 5.921 -10.677 -1.558 125 HG3 GLN 16 2HG GLN 16 4.446 -11.606 -1.794 126 HE21 GLN 16 2HE2 GLN 16 4.194 -10.823 -4.632 127 HE22 GLN 16 1HE2 GLN 16 5.410 -11.691 -5.476 128 H TYR 17 H TYR 17 3.215 -8.026 -4.748 129 HA TYR 17 HA TYR 17 3.019 -5.223 -3.962 130 HB2 TYR 17 1HB TYR 17 2.124 -6.572 -6.527 131 HB3 TYR 17 2HB TYR 17 2.046 -4.846 -6.178 132 HD1 TYR 17 HD1 TYR 17 4.076 -3.483 -6.169 133 HD2 TYR 17 HD2 TYR 17 4.246 -7.642 -7.052 134 HE1 TYR 17 HE1 TYR 17 6.376 -3.213 -7.019 135 HE2 TYR 17 HE2 TYR 17 6.522 -7.393 -7.899 136 HH TYR 17 HH TYR 17 8.329 -4.578 -7.324 137 H ARG 18 H ARG 18 1.421 -4.807 -2.743 138 HA ARG 18 HA ARG 18 -0.842 -6.673 -2.553 139 HB2 ARG 18 1HB ARG 18 0.646 -6.319 -0.563 140 HB3 ARG 18 2HB ARG 18 0.177 -4.628 -0.576 141 HG2 ARG 18 1HG ARG 18 -1.120 -5.651 1.075 142 HG3 ARG 18 2HG ARG 18 -2.189 -5.406 -0.308 143 HD2 ARG 18 1HD ARG 18 -1.763 -7.765 -0.993 144 HD3 ARG 18 2HD ARG 18 -0.828 -7.982 0.486 145 HE ARG 18 HE ARG 18 -3.551 -7.050 0.780 146 HH11 ARG 18 1HH1 ARG 18 -1.331 -9.819 1.028 147 HH12 ARG 18 2HH1 ARG 18 -2.470 -10.814 1.808 148 HH21 ARG 18 1HH2 ARG 18 -5.067 -8.395 1.822 149 HH22 ARG 18 2HH2 ARG 18 -4.687 -10.003 2.232 150 H VAL 19 H VAL 19 -2.817 -5.815 -3.222 151 HA VAL 19 HA VAL 19 -2.897 -3.004 -3.766 152 HB VAL 19 HB VAL 19 -5.251 -3.295 -4.498 153 HG11 VAL 19 1HG1 VAL 19 -3.358 -5.283 -5.708 154 HG12 VAL 19 2HG1 VAL 19 -3.539 -3.578 -6.138 155 HG13 VAL 19 3HG1 VAL 19 -4.851 -4.711 -6.454 156 HG21 VAL 19 3HG2 VAL 19 -5.947 -5.102 -3.004 157 HG22 VAL 19 1HG2 VAL 19 -4.883 -6.222 -3.856 158 HG23 VAL 19 2HG2 VAL 19 -6.267 -5.512 -4.689 159 H CYS 20 H CYS 20 -3.402 -1.518 -2.527 160 HA CYS 20 HA CYS 20 -3.908 -1.823 0.202 161 HB2 CYS 20 1HB CYS 20 -2.969 0.249 -0.614 162 HB3 CYS 20 2HB CYS 20 -4.411 0.567 -1.570 163 H GLU 21 H GLU 21 -5.620 -1.974 1.380 164 HA GLU 21 HA GLU 21 -7.934 -3.085 0.530 165 HB2 GLU 21 1HB GLU 21 -6.953 -3.162 2.773 166 HB3 GLU 21 2HB GLU 21 -7.381 -1.500 3.046 167 HG2 GLU 21 1HG GLU 21 -9.330 -3.764 2.655 168 HG3 GLU 21 2HG GLU 21 -8.812 -3.143 4.213 169 H LYS 22 H LYS 22 -7.642 0.393 1.540 170 HA LYS 22 HA LYS 22 -10.270 0.768 0.418 171 HB2 LYS 22 1HB LYS 22 -10.275 3.013 1.332 172 HB3 LYS 22 2HB LYS 22 -9.738 1.859 2.531 173 HG2 LYS 22 1HG LYS 22 -7.419 2.582 2.202 174 HG3 LYS 22 2HG LYS 22 -7.953 3.715 0.964 175 HD2 LYS 22 1HD LYS 22 -7.623 4.891 3.075 176 HD3 LYS 22 2HD LYS 22 -9.331 4.894 2.640 177 HE2 LYS 22 1HE LYS 22 -9.699 2.998 4.200 178 HE3 LYS 22 2HE LYS 22 -7.993 3.051 4.625 179 HZ1 LYS 22 3HZ LYS 22 -9.332 4.176 6.263 180 HZ2 LYS 22 1HZ LYS 22 -9.964 5.230 5.119 181 HZ3 LYS 22 2HZ LYS 22 -8.329 5.280 5.516 182 H CYS 23 H CYS 23 -7.018 1.719 -0.538 183 HA CYS 23 HA CYS 23 -8.019 3.545 -2.524 184 HB2 CYS 23 1HB CYS 23 -5.212 2.481 -2.249 185 HB3 CYS 23 2HB CYS 23 -5.715 3.855 -3.221 186 H GLY 24 H GLY 24 -7.214 0.126 -2.567 187 HA2 GLY 24 1HA GLY 24 -7.328 -1.406 -4.256 188 HA3 GLY 24 2HA GLY 24 -8.144 -0.189 -5.228 189 H LYS 25 H LYS 25 -5.081 0.412 -3.851 190 HA LYS 25 HA LYS 25 -3.840 0.552 -6.508 191 HB2 LYS 25 1HB LYS 25 -3.409 1.972 -3.927 192 HB3 LYS 25 2HB LYS 25 -2.036 1.765 -4.996 193 HG2 LYS 25 1HG LYS 25 -4.625 3.042 -5.838 194 HG3 LYS 25 2HG LYS 25 -3.236 3.939 -5.212 195 HD2 LYS 25 1HD LYS 25 -1.849 2.941 -7.000 196 HD3 LYS 25 2HD LYS 25 -3.292 2.202 -7.685 197 HE2 LYS 25 1HE LYS 25 -2.867 5.168 -7.315 198 HE3 LYS 25 2HE LYS 25 -2.661 4.308 -8.834 199 HZ1 LYS 25 3HZ LYS 25 -5.202 4.639 -7.313 200 HZ2 LYS 25 1HZ LYS 25 -5.036 3.710 -8.719 201 HZ3 LYS 25 2HZ LYS 25 -4.776 5.370 -8.754 202 HA PRO 26 HA PRO 26 -1.305 -2.871 -5.024 203 HB2 PRO 26 1HB PRO 26 0.083 -3.125 -7.436 204 HB3 PRO 26 2HB PRO 26 -1.376 -4.005 -6.995 205 HG2 PRO 26 1HG PRO 26 -1.085 -1.982 -9.001 206 HG3 PRO 26 2HG PRO 26 -2.545 -2.864 -8.551 207 HD2 PRO 26 1HD PRO 26 -1.741 -0.129 -7.869 208 HD3 PRO 26 2HD PRO 26 -3.328 -0.913 -7.752 209 H LEU 27 H LEU 27 0.261 -2.298 -3.712 210 HA LEU 27 HA LEU 27 2.498 -0.727 -4.783 211 HB2 LEU 27 1HB LEU 27 2.829 0.234 -2.533 212 HB3 LEU 27 2HB LEU 27 1.327 0.735 -3.273 213 HG LEU 27 HG LEU 27 1.230 -1.576 -1.380 214 HD11 LEU 27 1HD1 LEU 27 1.018 -0.052 0.488 215 HD12 LEU 27 2HD1 LEU 27 1.393 1.320 -0.560 216 HD13 LEU 27 3HD1 LEU 27 2.619 0.086 -0.238 217 HD21 LEU 27 3HD2 LEU 27 -0.923 -0.575 -0.842 218 HD22 LEU 27 1HD2 LEU 27 -0.771 -0.845 -2.580 219 HD23 LEU 27 2HD2 LEU 27 -0.574 0.776 -1.930 220 H ALA 28 H ALA 28 4.520 -1.155 -3.749 221 HA ALA 28 HA ALA 28 4.914 -3.938 -3.282 222 HB1 ALA 28 3HB ALA 28 6.564 -2.569 -4.473 223 HB2 ALA 28 1HB ALA 28 7.271 -3.315 -3.042 224 HB3 ALA 28 2HB ALA 28 6.826 -1.613 -3.015 225 H LEU 29 H LEU 29 5.320 -4.955 -1.389 226 HA LEU 29 HA LEU 29 4.261 -4.015 0.997 227 HB2 LEU 29 1HB LEU 29 6.284 -6.188 0.576 228 HB3 LEU 29 2HB LEU 29 5.490 -5.894 2.109 229 HG LEU 29 HG LEU 29 4.140 -6.751 -0.455 230 HD11 LEU 29 1HD1 LEU 29 5.453 -8.531 0.538 231 HD12 LEU 29 2HD1 LEU 29 3.733 -8.845 0.765 232 HD13 LEU 29 3HD1 LEU 29 4.700 -8.239 2.106 233 HD21 LEU 29 3HD2 LEU 29 2.649 -5.350 0.864 234 HD22 LEU 29 1HD2 LEU 29 3.004 -6.301 2.309 235 HD23 LEU 29 2HD2 LEU 29 2.146 -7.037 0.961 236 H THR 30 H THR 30 7.486 -3.402 -0.224 237 HA THR 30 HA THR 30 8.604 -2.745 2.287 238 HB THR 30 HB THR 30 10.258 -1.580 0.619 239 HG1 THR 30 HG1 THR 30 10.019 -2.257 -1.465 240 HG21 THR 30 3HG2 THR 30 10.736 -3.654 1.859 241 HG22 THR 30 1HG2 THR 30 11.328 -3.759 0.202 242 HG23 THR 30 2HG2 THR 30 9.833 -4.580 0.658 243 H ALA 31 H ALA 31 6.338 -1.175 0.346 244 HA ALA 31 HA ALA 31 7.078 1.456 1.423 245 HB1 ALA 31 3HB ALA 31 5.522 0.822 -1.083 246 HB2 ALA 31 1HB ALA 31 7.207 1.339 -1.021 247 HB3 ALA 31 2HB ALA 31 5.929 2.432 -0.493 248 H ILE 32 H ILE 32 5.157 -0.986 2.200 249 HA ILE 32 HA ILE 32 2.614 0.203 1.932 250 HB ILE 32 HB ILE 32 2.690 -2.246 1.977 251 HG12 ILE 32 1HG1 ILE 32 1.106 -1.013 4.244 252 HG13 ILE 32 2HG1 ILE 32 0.618 -1.081 2.561 253 HG21 ILE 32 1HG2 ILE 32 4.474 -2.577 3.614 254 HG22 ILE 32 2HG2 ILE 32 3.024 -3.469 4.082 255 HG23 ILE 32 3HG2 ILE 32 3.426 -1.951 4.889 256 HD11 ILE 32 3HD1 ILE 32 -0.527 -2.656 3.967 257 HD12 ILE 32 1HD1 ILE 32 0.997 -3.436 4.376 258 HD13 ILE 32 2HD1 ILE 32 0.401 -3.487 2.703 259 H VAL 33 H VAL 33 4.762 0.072 4.772 260 HA VAL 33 HA VAL 33 2.704 1.063 6.430 261 HB VAL 33 HB VAL 33 4.747 -0.064 7.371 262 HG11 VAL 33 1HG1 VAL 33 6.513 1.010 6.153 263 HG12 VAL 33 2HG1 VAL 33 6.744 1.257 7.882 264 HG13 VAL 33 3HG1 VAL 33 6.109 2.563 6.878 265 HG21 VAL 33 3HG2 VAL 33 4.895 1.319 9.402 266 HG22 VAL 33 1HG2 VAL 33 3.234 1.090 8.850 267 HG23 VAL 33 2HG2 VAL 33 4.062 2.616 8.543 268 H ASP 34 H ASP 34 5.160 2.699 4.560 269 HA ASP 34 HA ASP 34 4.597 5.321 5.439 270 HB2 ASP 34 1HB ASP 34 5.754 4.302 2.838 271 HB3 ASP 34 2HB ASP 34 5.502 6.015 3.131 272 H HIS 35 H HIS 35 3.422 3.542 2.607 273 HA HIS 35 HA HIS 35 1.606 5.493 1.782 274 HB2 HIS 35 1HB HIS 35 2.087 3.689 0.232 275 HB3 HIS 35 2HB HIS 35 1.525 2.487 1.387 276 HD1 HIS 35 HD1 HIS 35 0.299 4.704 -1.317 277 HD2 HIS 35 HD2 HIS 35 -1.299 2.469 1.772 278 HE1 HIS 35 HE1 HIS 35 -2.185 4.650 -1.764 279 H LEU 36 H LEU 36 1.013 2.653 3.850 280 HA LEU 36 HA LEU 36 -1.730 3.196 4.070 281 HB2 LEU 36 1HB LEU 36 -0.778 0.979 4.310 282 HB3 LEU 36 2HB LEU 36 0.007 1.368 5.801 283 HG LEU 36 HG LEU 36 -2.358 1.867 6.669 284 HD11 LEU 36 1HD1 LEU 36 -3.062 0.288 4.211 285 HD12 LEU 36 2HD1 LEU 36 -3.488 1.971 4.542 286 HD13 LEU 36 3HD1 LEU 36 -4.158 0.682 5.535 287 HD21 LEU 36 3HD2 LEU 36 -1.075 -0.052 7.381 288 HD22 LEU 36 1HD2 LEU 36 -1.543 -0.930 5.923 289 HD23 LEU 36 2HD2 LEU 36 -2.760 -0.509 7.127 290 H GLU 37 H GLU 37 0.977 4.448 5.801 291 HA GLU 37 HA GLU 37 -0.637 5.522 7.925 292 HB2 GLU 37 1HB GLU 37 1.716 4.888 8.255 293 HB3 GLU 37 2HB GLU 37 2.200 6.110 7.093 294 HG2 GLU 37 1HG GLU 37 2.589 6.945 9.272 295 HG3 GLU 37 2HG GLU 37 1.225 7.834 8.592 296 H ASN 38 H ASN 38 0.547 6.694 4.688 297 HA ASN 38 HA ASN 38 -0.128 9.404 5.553 298 HB2 ASN 38 1HB ASN 38 2.228 8.955 4.839 299 HB3 ASN 38 2HB ASN 38 1.623 8.476 3.267 300 HD21 ASN 38 2HD2 ASN 38 0.966 10.075 1.827 301 HD22 ASN 38 1HD2 ASN 38 1.297 11.738 2.075 302 H HIS 39 H HIS 39 -1.381 6.930 3.933 303 HA HIS 39 HA HIS 39 -2.009 8.148 1.660 304 HB2 HIS 39 1HB HIS 39 -3.464 6.294 1.019 305 HB3 HIS 39 2HB HIS 39 -1.997 5.831 1.894 306 HD2 HIS 39 HD2 HIS 39 -3.755 6.368 4.872 307 HE1 HIS 39 HE1 HIS 39 -5.607 2.778 3.621 308 HE2 HIS 39 HE2 HIS 39 -5.131 4.317 5.539 309 H CYS 40 H CYS 40 -3.790 9.313 0.877 310 HA CYS 40 HA CYS 40 -5.372 10.626 2.875 311 HB2 CYS 40 1HB CYS 40 -4.338 11.894 1.041 312 HB3 CYS 40 2HB CYS 40 -5.291 10.993 -0.128 313 HG CYS 40 HG CYS 40 -7.307 12.383 2.080 314 H ALA 41 H ALA 41 -7.101 9.651 3.605 315 HA ALA 41 HA ALA 41 -8.675 7.755 2.246 316 HB1 ALA 41 3HB ALA 41 -9.385 9.546 4.571 317 HB2 ALA 41 1HB ALA 41 -8.661 7.943 4.686 318 HB3 ALA 41 2HB ALA 41 -10.293 8.129 4.051 319 H GLY 42 H GLY 42 -10.370 8.027 0.908 320 HA2 GLY 42 1HA GLY 42 -12.201 9.360 0.072 321 HA3 GLY 42 2HA GLY 42 -11.215 10.789 0.373 322 H ALA 43 H ALA 43 -8.785 9.534 -0.575 323 HA ALA 43 HA ALA 43 -9.282 9.874 -3.421 324 HB1 ALA 43 3HB ALA 43 -6.669 9.753 -1.892 325 HB2 ALA 43 1HB ALA 43 -7.488 11.226 -2.410 326 HB3 ALA 43 2HB ALA 43 -6.844 10.105 -3.612 327 H SER 44 H SER 44 -10.025 7.999 -4.148 328 HA SER 44 HA SER 44 -8.229 5.750 -4.194 329 HB2 SER 44 1HB SER 44 -11.086 5.512 -3.195 330 HB3 SER 44 2HB SER 44 -9.985 4.163 -3.479 331 HG SER 44 HG SER 44 -8.785 5.958 -1.943 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 35.957 -25.672 -25.665 2 H2 ASN 1 2H ASN 1 35.134 -24.563 -26.638 3 H3 ASN 1 3H ASN 1 34.498 -25.031 -25.140 4 HA ASN 1 HA ASN 1 37.016 -23.552 -25.508 5 HB2 ASN 1 1HB ASN 1 34.286 -22.616 -24.578 6 HB3 ASN 1 2HB ASN 1 35.756 -21.675 -24.383 7 HD21 ASN 1 2HD2 ASN 1 34.990 -20.000 -25.631 8 HD22 ASN 1 1HD2 ASN 1 34.819 -20.127 -27.344 9 HA PRO 2 HA PRO 2 37.529 -24.875 -21.226 10 HB2 PRO 2 1HB PRO 2 39.480 -22.752 -20.836 11 HB3 PRO 2 2HB PRO 2 39.777 -24.487 -20.946 12 HG2 PRO 2 1HG PRO 2 40.584 -22.699 -22.843 13 HG3 PRO 2 2HG PRO 2 40.223 -24.401 -23.181 14 HD2 PRO 2 1HD PRO 2 38.547 -21.975 -23.665 15 HD3 PRO 2 2HD PRO 2 38.770 -23.429 -24.666 16 H ASN 3 H ASN 3 35.914 -24.244 -19.924 17 HA ASN 3 HA ASN 3 35.395 -21.380 -19.632 18 HB2 ASN 3 1HB ASN 3 33.495 -23.724 -19.553 19 HB3 ASN 3 2HB ASN 3 33.059 -22.133 -18.950 20 HD21 ASN 3 2HD2 ASN 3 31.913 -23.672 -21.128 21 HD22 ASN 3 1HD2 ASN 3 32.056 -22.685 -22.545 22 H ALA 4 H ALA 4 34.697 -20.634 -17.651 23 HA ALA 4 HA ALA 4 35.470 -22.268 -15.334 24 HB1 ALA 4 3HB ALA 4 36.822 -20.202 -15.593 25 HB2 ALA 4 1HB ALA 4 35.785 -20.103 -14.168 26 HB3 ALA 4 2HB ALA 4 35.343 -19.251 -15.644 27 H GLN 5 H GLN 5 34.027 -21.146 -13.341 28 HA GLN 5 HA GLN 5 31.332 -21.669 -14.172 29 HB2 GLN 5 1HB GLN 5 32.019 -22.335 -11.910 30 HB3 GLN 5 2HB GLN 5 32.366 -20.657 -11.508 31 HG2 GLN 5 1HG GLN 5 29.964 -20.128 -11.961 32 HG3 GLN 5 2HG GLN 5 29.669 -21.850 -12.118 33 HE21 GLN 5 2HE2 GLN 5 31.551 -22.508 -9.956 34 HE22 GLN 5 1HE2 GLN 5 30.735 -22.053 -8.503 35 H LEU 6 H LEU 6 30.377 -20.216 -15.379 36 HA LEU 6 HA LEU 6 30.705 -17.387 -14.777 37 HB2 LEU 6 1HB LEU 6 30.867 -18.234 -17.132 38 HB3 LEU 6 2HB LEU 6 29.220 -18.799 -17.011 39 HG LEU 6 HG LEU 6 28.486 -16.445 -16.703 40 HD11 LEU 6 1HD1 LEU 6 30.048 -14.647 -17.287 41 HD12 LEU 6 2HD1 LEU 6 31.365 -15.818 -17.347 42 HD13 LEU 6 3HD1 LEU 6 30.536 -15.495 -15.823 43 HD21 LEU 6 3HD2 LEU 6 28.393 -17.522 -18.889 44 HD22 LEU 6 1HD2 LEU 6 30.054 -17.027 -19.213 45 HD23 LEU 6 2HD2 LEU 6 28.785 -15.814 -19.050 46 H ILE 7 H ILE 7 29.266 -16.594 -13.330 47 HA ILE 7 HA ILE 7 26.902 -18.200 -12.892 48 HB ILE 7 HB ILE 7 28.118 -17.838 -10.853 49 HG12 ILE 7 1HG1 ILE 7 25.642 -16.089 -10.843 50 HG13 ILE 7 2HG1 ILE 7 25.660 -17.835 -10.659 51 HG21 ILE 7 1HG2 ILE 7 29.387 -15.890 -11.386 52 HG22 ILE 7 2HG2 ILE 7 28.502 -15.609 -9.882 53 HG23 ILE 7 3HG2 ILE 7 27.930 -14.894 -11.389 54 HD11 ILE 7 3HD1 ILE 7 26.877 -17.598 -8.560 55 HD12 ILE 7 1HD1 ILE 7 25.357 -16.708 -8.526 56 HD13 ILE 7 2HD1 ILE 7 26.879 -15.847 -8.755 57 H GLU 8 H GLU 8 25.028 -17.674 -13.450 58 HA GLU 8 HA GLU 8 24.461 -15.274 -14.914 59 HB2 GLU 8 1HB GLU 8 22.757 -17.586 -13.986 60 HB3 GLU 8 2HB GLU 8 22.229 -16.325 -15.087 61 HG2 GLU 8 1HG GLU 8 24.601 -18.039 -15.698 62 HG3 GLU 8 2HG GLU 8 22.962 -18.564 -16.067 63 H ASP 9 H ASP 9 23.998 -13.430 -13.779 64 HA ASP 9 HA ASP 9 23.087 -13.575 -11.089 65 HB2 ASP 9 1HB ASP 9 22.908 -11.133 -11.116 66 HB3 ASP 9 2HB ASP 9 24.421 -11.602 -11.852 67 HA PRO 10 HA PRO 10 18.878 -14.478 -11.479 68 HB2 PRO 10 1HB PRO 10 18.384 -12.132 -9.709 69 HB3 PRO 10 2HB PRO 10 17.790 -13.788 -9.556 70 HG2 PRO 10 1HG PRO 10 19.773 -12.930 -8.038 71 HG3 PRO 10 2HG PRO 10 19.804 -14.571 -8.718 72 HD2 PRO 10 1HD PRO 10 21.353 -12.153 -9.512 73 HD3 PRO 10 2HD PRO 10 21.816 -13.869 -9.546 74 H LEU 11 H LEU 11 17.654 -14.030 -13.168 75 HA LEU 11 HA LEU 11 17.279 -11.207 -13.910 76 HB2 LEU 11 1HB LEU 11 17.147 -13.632 -15.708 77 HB3 LEU 11 2HB LEU 11 16.871 -11.977 -16.203 78 HG LEU 11 HG LEU 11 19.496 -13.132 -15.260 79 HD11 LEU 11 1HD1 LEU 11 18.558 -12.264 -17.988 80 HD12 LEU 11 2HD1 LEU 11 18.826 -13.925 -17.461 81 HD13 LEU 11 3HD1 LEU 11 20.186 -12.806 -17.582 82 HD21 LEU 11 3HD2 LEU 11 20.441 -10.983 -15.957 83 HD22 LEU 11 1HD2 LEU 11 19.279 -10.785 -14.647 84 HD23 LEU 11 2HD2 LEU 11 18.818 -10.382 -16.301 85 H ASP 12 H ASP 12 15.553 -11.019 -12.547 86 HA ASP 12 HA ASP 12 13.074 -11.049 -13.507 87 HB2 ASP 12 1HB ASP 12 13.175 -13.604 -13.408 88 HB3 ASP 12 2HB ASP 12 13.340 -13.452 -11.660 89 H LYS 13 H LYS 13 11.971 -9.784 -12.110 90 HA LYS 13 HA LYS 13 13.046 -9.537 -9.360 91 HB2 LYS 13 1HB LYS 13 11.777 -7.452 -11.109 92 HB3 LYS 13 2HB LYS 13 12.055 -7.277 -9.386 93 HG2 LYS 13 1HG LYS 13 14.489 -7.558 -9.839 94 HG3 LYS 13 2HG LYS 13 14.128 -7.565 -11.566 95 HD2 LYS 13 1HD LYS 13 14.821 -5.347 -10.934 96 HD3 LYS 13 2HD LYS 13 13.096 -5.312 -11.293 97 HE2 LYS 13 1HE LYS 13 13.577 -4.005 -9.289 98 HE3 LYS 13 2HE LYS 13 12.596 -5.402 -8.869 99 HZ1 LYS 13 3HZ LYS 13 14.670 -6.523 -8.167 100 HZ2 LYS 13 1HZ LYS 13 14.371 -5.134 -7.261 101 HZ3 LYS 13 2HZ LYS 13 15.530 -5.112 -8.474 102 HA PRO 14 HA PRO 14 9.040 -10.982 -8.187 103 HB2 PRO 14 1HB PRO 14 10.818 -10.688 -5.825 104 HB3 PRO 14 2HB PRO 14 9.607 -11.983 -6.103 105 HG2 PRO 14 1HG PRO 14 12.135 -12.530 -6.372 106 HG3 PRO 14 2HG PRO 14 11.065 -12.976 -7.721 107 HD2 PRO 14 1HD PRO 14 12.877 -10.613 -7.453 108 HD3 PRO 14 2HD PRO 14 12.631 -11.689 -8.851 109 H ILE 15 H ILE 15 7.698 -9.344 -7.874 110 HA ILE 15 HA ILE 15 8.500 -7.189 -6.110 111 HB ILE 15 HB ILE 15 7.157 -5.577 -7.580 112 HG12 ILE 15 1HG1 ILE 15 7.488 -7.797 -9.619 113 HG13 ILE 15 2HG1 ILE 15 5.961 -7.237 -8.947 114 HG21 ILE 15 1HG2 ILE 15 9.576 -5.475 -7.504 115 HG22 ILE 15 2HG2 ILE 15 9.003 -5.139 -9.139 116 HG23 ILE 15 3HG2 ILE 15 9.691 -6.717 -8.750 117 HD11 ILE 15 3HD1 ILE 15 6.310 -6.375 -11.199 118 HD12 ILE 15 1HD1 ILE 15 7.834 -5.650 -10.693 119 HD13 ILE 15 2HD1 ILE 15 6.314 -5.058 -10.024 120 H GLN 16 H GLN 16 7.480 -7.378 -4.503 121 HA GLN 16 HA GLN 16 5.001 -8.858 -4.484 122 HB2 GLN 16 1HB GLN 16 6.146 -7.751 -1.981 123 HB3 GLN 16 2HB GLN 16 5.456 -9.328 -2.290 124 HG2 GLN 16 1HG GLN 16 7.753 -9.689 -1.774 125 HG3 GLN 16 2HG GLN 16 7.608 -9.891 -3.515 126 HE21 GLN 16 2HE2 GLN 16 7.532 -6.731 -2.077 127 HE22 GLN 16 1HE2 GLN 16 9.078 -6.225 -2.642 128 H TYR 17 H TYR 17 3.293 -7.716 -4.832 129 HA TYR 17 HA TYR 17 3.007 -5.063 -3.622 130 HB2 TYR 17 1HB TYR 17 1.996 -5.957 -6.335 131 HB3 TYR 17 2HB TYR 17 1.640 -4.426 -5.568 132 HD1 TYR 17 HD2 TYR 17 4.826 -4.362 -4.654 133 HD2 TYR 17 HD1 TYR 17 2.660 -4.661 -8.301 134 HE1 TYR 17 HE2 TYR 17 6.689 -3.339 -5.833 135 HE2 TYR 17 HE1 TYR 17 4.541 -3.645 -9.494 136 HH TYR 17 HH TYR 17 7.595 -3.249 -8.040 137 H ARG 18 H ARG 18 1.019 -4.674 -2.815 138 HA ARG 18 HA ARG 18 -1.038 -6.742 -3.114 139 HB2 ARG 18 1HB ARG 18 -0.374 -5.298 -0.535 140 HB3 ARG 18 2HB ARG 18 -1.647 -6.488 -0.763 141 HG2 ARG 18 1HG ARG 18 0.068 -8.188 -1.232 142 HG3 ARG 18 2HG ARG 18 1.299 -6.952 -0.932 143 HD2 ARG 18 1HD ARG 18 0.970 -8.347 1.048 144 HD3 ARG 18 2HD ARG 18 0.494 -6.676 1.348 145 HE ARG 18 HE ARG 18 -1.743 -8.105 0.515 146 HH11 ARG 18 1HH1 ARG 18 0.453 -7.979 3.310 147 HH12 ARG 18 2HH1 ARG 18 -0.727 -8.480 4.423 148 HH21 ARG 18 1HH2 ARG 18 -3.351 -8.803 2.072 149 HH22 ARG 18 2HH2 ARG 18 -2.929 -9.009 3.705 150 H VAL 19 H VAL 19 -3.027 -5.836 -3.504 151 HA VAL 19 HA VAL 19 -3.054 -2.962 -3.706 152 HB VAL 19 HB VAL 19 -5.330 -3.118 -4.603 153 HG11 VAL 19 1HG1 VAL 19 -3.502 -3.266 -6.146 154 HG12 VAL 19 2HG1 VAL 19 -4.827 -4.299 -6.681 155 HG13 VAL 19 3HG1 VAL 19 -3.406 -5.013 -5.913 156 HG21 VAL 19 3HG2 VAL 19 -6.367 -5.290 -5.099 157 HG22 VAL 19 1HG2 VAL 19 -6.166 -5.038 -3.370 158 HG23 VAL 19 2HG2 VAL 19 -5.064 -6.108 -4.238 159 H CYS 20 H CYS 20 -3.785 -1.596 -2.423 160 HA CYS 20 HA CYS 20 -4.593 -2.296 0.206 161 HB2 CYS 20 1HB CYS 20 -3.436 -0.247 -0.181 162 HB3 CYS 20 2HB CYS 20 -4.643 0.269 -1.352 163 H GLU 21 H GLU 21 -6.615 -2.507 1.029 164 HA GLU 21 HA GLU 21 -8.747 -3.127 -0.621 165 HB2 GLU 21 1HB GLU 21 -10.112 -3.054 1.454 166 HB3 GLU 21 2HB GLU 21 -8.639 -4.000 1.609 167 HG2 GLU 21 1HG GLU 21 -7.574 -2.186 2.814 168 HG3 GLU 21 2HG GLU 21 -8.996 -1.175 2.582 169 H LYS 22 H LYS 22 -8.107 -0.110 1.098 170 HA LYS 22 HA LYS 22 -10.594 1.027 0.271 171 HB2 LYS 22 1HB LYS 22 -9.613 1.569 2.465 172 HB3 LYS 22 2HB LYS 22 -8.229 2.295 1.674 173 HG2 LYS 22 1HG LYS 22 -10.973 3.371 1.152 174 HG3 LYS 22 2HG LYS 22 -10.136 3.784 2.644 175 HD2 LYS 22 1HD LYS 22 -8.344 4.809 1.428 176 HD3 LYS 22 2HD LYS 22 -8.962 4.199 -0.104 177 HE2 LYS 22 1HE LYS 22 -9.494 6.561 0.168 178 HE3 LYS 22 2HE LYS 22 -10.943 5.569 0.132 179 HZ1 LYS 22 3HZ LYS 22 -11.108 5.760 2.533 180 HZ2 LYS 22 1HZ LYS 22 -11.086 7.263 1.791 181 HZ3 LYS 22 2HZ LYS 22 -9.705 6.729 2.593 182 H CYS 23 H CYS 23 -7.220 1.559 -0.606 183 HA CYS 23 HA CYS 23 -7.975 3.613 -2.468 184 HB2 CYS 23 1HB CYS 23 -5.283 2.289 -2.116 185 HB3 CYS 23 2HB CYS 23 -5.600 3.784 -2.980 186 H GLY 24 H GLY 24 -7.156 0.158 -2.720 187 HA2 GLY 24 1HA GLY 24 -7.507 -1.259 -4.482 188 HA3 GLY 24 2HA GLY 24 -8.110 0.095 -5.430 189 H LYS 25 H LYS 25 -5.230 0.896 -4.071 190 HA LYS 25 HA LYS 25 -3.863 0.495 -6.616 191 HB2 LYS 25 1HB LYS 25 -4.222 2.816 -5.530 192 HB3 LYS 25 2HB LYS 25 -3.021 2.333 -4.357 193 HG2 LYS 25 1HG LYS 25 -2.444 2.373 -7.312 194 HG3 LYS 25 2HG LYS 25 -2.269 3.799 -6.301 195 HD2 LYS 25 1HD LYS 25 -0.840 1.191 -5.782 196 HD3 LYS 25 2HD LYS 25 -0.158 2.496 -6.751 197 HE2 LYS 25 1HE LYS 25 -0.994 2.715 -3.850 198 HE3 LYS 25 2HE LYS 25 0.658 2.547 -4.435 199 HZ1 LYS 25 3HZ LYS 25 0.426 4.640 -5.597 200 HZ2 LYS 25 1HZ LYS 25 0.126 4.866 -3.967 201 HZ3 LYS 25 2HZ LYS 25 -1.148 4.831 -5.057 202 HA PRO 26 HA PRO 26 -1.386 -2.622 -4.543 203 HB2 PRO 26 1HB PRO 26 0.432 -2.955 -6.525 204 HB3 PRO 26 2HB PRO 26 -1.200 -3.625 -6.612 205 HG2 PRO 26 1HG PRO 26 -0.092 -1.152 -7.865 206 HG3 PRO 26 2HG PRO 26 -1.193 -2.358 -8.555 207 HD2 PRO 26 1HD PRO 26 -2.015 0.036 -7.596 208 HD3 PRO 26 2HD PRO 26 -3.033 -1.418 -7.556 209 H LEU 27 H LEU 27 -0.034 -2.234 -3.003 210 HA LEU 27 HA LEU 27 2.115 -0.280 -3.429 211 HB2 LEU 27 1HB LEU 27 2.254 -0.114 -0.957 212 HB3 LEU 27 2HB LEU 27 0.717 0.434 -1.583 213 HG LEU 27 HG LEU 27 0.838 -2.394 -0.633 214 HD11 LEU 27 1HD1 LEU 27 2.073 -1.156 1.083 215 HD12 LEU 27 2HD1 LEU 27 0.499 -1.707 1.662 216 HD13 LEU 27 3HD1 LEU 27 0.730 -0.016 1.212 217 HD21 LEU 27 3HD2 LEU 27 -1.162 -0.160 -0.324 218 HD22 LEU 27 1HD2 LEU 27 -1.405 -1.846 0.130 219 HD23 LEU 27 2HD2 LEU 27 -1.207 -1.411 -1.568 220 H ALA 28 H ALA 28 4.177 -0.880 -2.745 221 HA ALA 28 HA ALA 28 4.712 -3.699 -2.913 222 HB1 ALA 28 3HB ALA 28 6.213 -2.050 -3.971 223 HB2 ALA 28 1HB ALA 28 7.059 -3.032 -2.772 224 HB3 ALA 28 2HB ALA 28 6.572 -1.384 -2.377 225 H LEU 29 H LEU 29 5.623 -4.948 -1.334 226 HA LEU 29 HA LEU 29 4.685 -4.570 1.284 227 HB2 LEU 29 1HB LEU 29 6.979 -6.303 0.387 228 HB3 LEU 29 2HB LEU 29 6.298 -6.335 1.998 229 HG LEU 29 HG LEU 29 4.912 -7.133 -0.559 230 HD11 LEU 29 1HD1 LEU 29 6.525 -8.763 0.280 231 HD12 LEU 29 2HD1 LEU 29 4.871 -9.346 0.470 232 HD13 LEU 29 3HD1 LEU 29 5.748 -8.719 1.864 233 HD21 LEU 29 3HD2 LEU 29 3.055 -7.811 0.902 234 HD22 LEU 29 1HD2 LEU 29 3.307 -6.066 0.907 235 HD23 LEU 29 2HD2 LEU 29 3.873 -7.042 2.261 236 H THR 30 H THR 30 7.650 -3.447 -0.124 237 HA THR 30 HA THR 30 8.868 -2.741 2.366 238 HB THR 30 HB THR 30 9.562 -1.734 -0.397 239 HG1 THR 30 HG1 THR 30 10.024 -4.266 0.823 240 HG21 THR 30 3HG2 THR 30 10.838 -0.810 1.518 241 HG22 THR 30 1HG2 THR 30 11.859 -1.814 0.490 242 HG23 THR 30 2HG2 THR 30 11.256 -2.449 2.019 243 H ALA 31 H ALA 31 6.303 -1.458 0.607 244 HA ALA 31 HA ALA 31 6.844 1.312 1.413 245 HB1 ALA 31 3HB ALA 31 5.263 1.967 -0.341 246 HB2 ALA 31 1HB ALA 31 4.996 0.268 -0.736 247 HB3 ALA 31 2HB ALA 31 6.580 0.992 -1.002 248 H ILE 32 H ILE 32 5.446 -1.239 2.639 249 HA ILE 32 HA ILE 32 2.747 -0.756 2.989 250 HB ILE 32 HB ILE 32 3.703 -2.906 3.604 251 HG12 ILE 32 1HG1 ILE 32 2.611 -3.299 5.814 252 HG13 ILE 32 2HG1 ILE 32 2.418 -1.558 5.990 253 HG21 ILE 32 1HG2 ILE 32 5.836 -2.216 4.496 254 HG22 ILE 32 2HG2 ILE 32 4.999 -3.263 5.642 255 HG23 ILE 32 3HG2 ILE 32 5.046 -1.522 5.912 256 HD11 ILE 32 3HD1 ILE 32 0.963 -1.518 4.037 257 HD12 ILE 32 1HD1 ILE 32 0.360 -2.636 5.259 258 HD13 ILE 32 2HD1 ILE 32 1.183 -3.257 3.828 259 H VAL 33 H VAL 33 5.370 0.424 5.112 260 HA VAL 33 HA VAL 33 3.580 1.581 7.003 261 HB VAL 33 HB VAL 33 6.510 2.242 6.539 262 HG11 VAL 33 1HG1 VAL 33 4.767 2.729 8.950 263 HG12 VAL 33 2HG1 VAL 33 5.373 3.954 7.835 264 HG13 VAL 33 3HG1 VAL 33 6.501 3.052 8.848 265 HG21 VAL 33 3HG2 VAL 33 6.237 -0.132 7.011 266 HG22 VAL 33 1HG2 VAL 33 5.249 0.249 8.426 267 HG23 VAL 33 2HG2 VAL 33 6.957 0.688 8.396 268 H ASP 34 H ASP 34 5.545 2.850 4.377 269 HA ASP 34 HA ASP 34 4.930 5.550 4.647 270 HB2 ASP 34 1HB ASP 34 6.710 4.850 3.152 271 HB3 ASP 34 2HB ASP 34 5.556 4.007 2.123 272 H HIS 35 H HIS 35 3.361 3.070 2.706 273 HA HIS 35 HA HIS 35 1.414 4.754 1.638 274 HB2 HIS 35 1HB HIS 35 1.838 2.553 0.619 275 HB3 HIS 35 2HB HIS 35 1.210 1.767 2.071 276 HD1 HIS 35 HD1 HIS 35 0.110 3.526 -1.034 277 HD2 HIS 35 HD2 HIS 35 -1.576 1.940 2.388 278 HE1 HIS 35 HE1 HIS 35 -2.344 3.519 -1.500 279 H LEU 36 H LEU 36 1.131 2.527 4.471 280 HA LEU 36 HA LEU 36 -1.520 3.349 4.860 281 HB2 LEU 36 1HB LEU 36 -1.420 2.268 7.110 282 HB3 LEU 36 2HB LEU 36 -0.961 1.241 5.779 283 HG LEU 36 HG LEU 36 1.433 1.724 6.429 284 HD11 LEU 36 1HD1 LEU 36 1.084 3.640 7.899 285 HD12 LEU 36 2HD1 LEU 36 1.846 2.319 8.788 286 HD13 LEU 36 3HD1 LEU 36 0.122 2.650 8.997 287 HD21 LEU 36 3HD2 LEU 36 -0.333 0.177 8.311 288 HD22 LEU 36 1HD2 LEU 36 1.416 -0.002 8.179 289 HD23 LEU 36 2HD2 LEU 36 0.383 -0.408 6.811 290 H GLU 37 H GLU 37 1.389 4.830 5.890 291 HA GLU 37 HA GLU 37 0.194 6.589 7.775 292 HB2 GLU 37 1HB GLU 37 2.584 6.119 7.811 293 HB3 GLU 37 2HB GLU 37 2.766 6.774 6.195 294 HG2 GLU 37 1HG GLU 37 3.585 8.360 7.793 295 HG3 GLU 37 2HG GLU 37 2.121 8.991 7.051 296 H ASN 38 H ASN 38 0.787 6.787 4.200 297 HA ASN 38 HA ASN 38 0.037 9.585 4.310 298 HB2 ASN 38 1HB ASN 38 2.202 9.117 3.316 299 HB3 ASN 38 2HB ASN 38 1.488 7.928 2.242 300 HD21 ASN 38 2HD2 ASN 38 1.861 11.296 2.926 301 HD22 ASN 38 1HD2 ASN 38 1.326 11.864 1.385 302 H HIS 39 H HIS 39 -1.335 6.668 3.841 303 HA HIS 39 HA HIS 39 -2.435 7.342 1.491 304 HB2 HIS 39 1HB HIS 39 -3.426 5.259 1.268 305 HB3 HIS 39 2HB HIS 39 -2.049 5.057 2.335 306 HD2 HIS 39 HD2 HIS 39 -3.774 5.681 5.201 307 HE1 HIS 39 HE1 HIS 39 -6.017 2.303 3.932 308 HE2 HIS 39 HE2 HIS 39 -5.512 3.863 5.824 309 H CYS 40 H CYS 40 -4.878 7.372 1.046 310 HA CYS 40 HA CYS 40 -6.091 9.502 2.287 311 HB2 CYS 40 1HB CYS 40 -6.656 8.731 0.038 312 HB3 CYS 40 2HB CYS 40 -7.387 7.281 0.709 313 HG CYS 40 HG CYS 40 -8.642 10.222 1.799 314 H ALA 41 H ALA 41 -6.693 9.660 4.258 315 HA ALA 41 HA ALA 41 -7.290 7.580 6.039 316 HB1 ALA 41 3HB ALA 41 -7.872 9.347 7.601 317 HB2 ALA 41 1HB ALA 41 -7.911 10.518 6.282 318 HB3 ALA 41 2HB ALA 41 -6.389 9.744 6.733 319 H GLY 42 H GLY 42 -9.265 7.266 7.193 320 HA2 GLY 42 1HA GLY 42 -11.632 7.449 7.390 321 HA3 GLY 42 2HA GLY 42 -11.693 8.030 5.729 322 H ALA 43 H ALA 43 -9.589 5.488 6.228 323 HA ALA 43 HA ALA 43 -11.032 3.742 4.483 324 HB1 ALA 43 3HB ALA 43 -9.134 2.228 4.796 325 HB2 ALA 43 1HB ALA 43 -8.542 3.241 6.110 326 HB3 ALA 43 2HB ALA 43 -8.575 3.867 4.461 327 H SER 44 H SER 44 -12.721 2.637 5.166 328 HA SER 44 HA SER 44 -12.442 1.004 7.525 329 HB2 SER 44 1HB SER 44 -14.810 2.851 7.063 330 HB3 SER 44 2HB SER 44 -14.618 1.706 8.399 331 HG SER 44 HG SER 44 -12.476 3.216 8.216 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 33.512 -33.863 -15.994 2 H2 ASN 1 2H ASN 1 33.609 -34.752 -14.543 3 H3 ASN 1 3H ASN 1 34.912 -33.858 -15.070 4 HA ASN 1 HA ASN 1 33.789 -31.809 -14.730 5 HB2 ASN 1 1HB ASN 1 31.548 -33.546 -13.637 6 HB3 ASN 1 2HB ASN 1 31.594 -31.788 -13.617 7 HD21 ASN 1 2HD2 ASN 1 31.187 -30.665 -15.553 8 HD22 ASN 1 1HD2 ASN 1 30.500 -31.459 -16.915 9 HA PRO 2 HA PRO 2 35.925 -32.347 -10.875 10 HB2 PRO 2 1HB PRO 2 35.316 -29.882 -9.768 11 HB3 PRO 2 2HB PRO 2 36.654 -30.185 -10.880 12 HG2 PRO 2 1HG PRO 2 33.960 -29.024 -11.425 13 HG3 PRO 2 2HG PRO 2 35.527 -28.613 -12.146 14 HD2 PRO 2 1HD PRO 2 33.659 -30.098 -13.413 15 HD3 PRO 2 2HD PRO 2 35.400 -30.331 -13.671 16 H ASN 3 H ASN 3 32.701 -30.892 -10.739 17 HA ASN 3 HA ASN 3 32.287 -32.024 -8.076 18 HB2 ASN 3 1HB ASN 3 30.334 -30.575 -7.913 19 HB3 ASN 3 2HB ASN 3 31.704 -29.609 -8.435 20 HD21 ASN 3 2HD2 ASN 3 31.669 -28.707 -10.500 21 HD22 ASN 3 1HD2 ASN 3 30.265 -28.727 -11.508 22 H ALA 4 H ALA 4 30.184 -33.070 -7.688 23 HA ALA 4 HA ALA 4 29.040 -34.265 -10.101 24 HB1 ALA 4 3HB ALA 4 29.459 -35.634 -7.439 25 HB2 ALA 4 1HB ALA 4 30.389 -35.934 -8.905 26 HB3 ALA 4 2HB ALA 4 28.676 -36.348 -8.846 27 H GLN 5 H GLN 5 28.553 -32.114 -7.865 28 HA GLN 5 HA GLN 5 25.958 -32.739 -6.825 29 HB2 GLN 5 1HB GLN 5 27.540 -31.269 -5.628 30 HB3 GLN 5 2HB GLN 5 27.519 -30.152 -6.976 31 HG2 GLN 5 1HG GLN 5 25.199 -29.625 -6.538 32 HG3 GLN 5 2HG GLN 5 25.150 -30.818 -5.246 33 HE21 GLN 5 2HE2 GLN 5 26.359 -27.720 -6.211 34 HE22 GLN 5 1HE2 GLN 5 26.823 -27.166 -4.659 35 H LEU 6 H LEU 6 23.994 -32.012 -7.636 36 HA LEU 6 HA LEU 6 23.992 -31.279 -10.412 37 HB2 LEU 6 1HB LEU 6 21.705 -31.581 -8.441 38 HB3 LEU 6 2HB LEU 6 21.488 -31.145 -10.114 39 HG LEU 6 HG LEU 6 22.477 -33.380 -10.740 40 HD11 LEU 6 1HD1 LEU 6 22.495 -35.146 -9.066 41 HD12 LEU 6 2HD1 LEU 6 22.143 -33.966 -7.804 42 HD13 LEU 6 3HD1 LEU 6 23.670 -33.886 -8.685 43 HD21 LEU 6 3HD2 LEU 6 19.971 -33.385 -9.071 44 HD22 LEU 6 1HD2 LEU 6 20.429 -34.617 -10.248 45 HD23 LEU 6 2HD2 LEU 6 20.086 -32.970 -10.781 46 H ILE 7 H ILE 7 23.947 -29.301 -11.204 47 HA ILE 7 HA ILE 7 24.183 -27.100 -9.462 48 HB ILE 7 HB ILE 7 25.307 -27.085 -11.661 49 HG12 ILE 7 1HG1 ILE 7 23.283 -24.849 -11.410 50 HG13 ILE 7 2HG1 ILE 7 24.810 -24.940 -10.545 51 HG21 ILE 7 1HG2 ILE 7 22.557 -26.820 -12.859 52 HG22 ILE 7 2HG2 ILE 7 23.607 -28.227 -12.991 53 HG23 ILE 7 3HG2 ILE 7 24.079 -26.701 -13.741 54 HD11 ILE 7 3HD1 ILE 7 26.014 -24.794 -12.668 55 HD12 ILE 7 1HD1 ILE 7 24.943 -23.417 -12.416 56 HD13 ILE 7 2HD1 ILE 7 24.473 -24.705 -13.528 57 H GLU 8 H GLU 8 22.778 -25.695 -8.734 58 HA GLU 8 HA GLU 8 19.977 -26.333 -8.964 59 HB2 GLU 8 1HB GLU 8 19.714 -24.720 -7.139 60 HB3 GLU 8 2HB GLU 8 20.961 -25.901 -6.770 61 HG2 GLU 8 1HG GLU 8 22.667 -24.231 -7.470 62 HG3 GLU 8 2HG GLU 8 21.370 -23.055 -7.665 63 H ASP 9 H ASP 9 18.409 -24.510 -9.170 64 HA ASP 9 HA ASP 9 19.057 -22.901 -11.485 65 HB2 ASP 9 1HB ASP 9 16.498 -23.120 -9.870 66 HB3 ASP 9 2HB ASP 9 16.681 -22.118 -11.295 67 HA PRO 10 HA PRO 10 20.149 -19.277 -9.191 68 HB2 PRO 10 1HB PRO 10 18.627 -17.688 -11.172 69 HB3 PRO 10 2HB PRO 10 20.337 -17.587 -10.743 70 HG2 PRO 10 1HG PRO 10 19.573 -18.640 -13.072 71 HG3 PRO 10 2HG PRO 10 20.930 -19.320 -12.154 72 HD2 PRO 10 1HD PRO 10 18.119 -20.310 -12.385 73 HD3 PRO 10 2HD PRO 10 19.652 -21.212 -12.387 74 H LEU 11 H LEU 11 19.189 -18.615 -7.398 75 HA LEU 11 HA LEU 11 16.321 -18.613 -7.165 76 HB2 LEU 11 1HB LEU 11 17.744 -19.411 -5.315 77 HB3 LEU 11 2HB LEU 11 18.469 -17.821 -5.192 78 HG LEU 11 HG LEU 11 16.282 -16.894 -4.527 79 HD11 LEU 11 1HD1 LEU 11 15.376 -19.768 -4.576 80 HD12 LEU 11 2HD1 LEU 11 14.805 -18.472 -5.628 81 HD13 LEU 11 3HD1 LEU 11 14.469 -18.416 -3.899 82 HD21 LEU 11 3HD2 LEU 11 16.238 -17.879 -2.293 83 HD22 LEU 11 1HD2 LEU 11 17.890 -17.596 -2.845 84 HD23 LEU 11 2HD2 LEU 11 17.221 -19.227 -2.870 85 H ASP 12 H ASP 12 15.154 -16.922 -7.727 86 HA ASP 12 HA ASP 12 16.606 -14.437 -8.109 87 HB2 ASP 12 1HB ASP 12 15.144 -15.654 -9.942 88 HB3 ASP 12 2HB ASP 12 13.819 -14.816 -9.135 89 H LYS 13 H LYS 13 14.343 -12.770 -8.146 90 HA LYS 13 HA LYS 13 14.084 -12.231 -5.233 91 HB2 LYS 13 1HB LYS 13 13.544 -10.578 -7.652 92 HB3 LYS 13 2HB LYS 13 13.537 -10.018 -5.994 93 HG2 LYS 13 1HG LYS 13 15.940 -10.321 -5.867 94 HG3 LYS 13 2HG LYS 13 15.960 -11.076 -7.461 95 HD2 LYS 13 1HD LYS 13 15.176 -8.222 -6.861 96 HD3 LYS 13 2HD LYS 13 16.707 -8.737 -7.561 97 HE2 LYS 13 1HE LYS 13 13.961 -9.006 -8.822 98 HE3 LYS 13 2HE LYS 13 15.244 -7.905 -9.294 99 HZ1 LYS 13 3HZ LYS 13 15.219 -9.745 -10.787 100 HZ2 LYS 13 1HZ LYS 13 15.325 -10.890 -9.562 101 HZ3 LYS 13 2HZ LYS 13 16.614 -9.858 -9.871 102 HA PRO 14 HA PRO 14 9.818 -12.758 -5.655 103 HB2 PRO 14 1HB PRO 14 9.271 -12.954 -3.059 104 HB3 PRO 14 2HB PRO 14 10.324 -14.148 -3.896 105 HG2 PRO 14 1HG PRO 14 11.187 -11.873 -2.179 106 HG3 PRO 14 2HG PRO 14 11.642 -13.586 -2.078 107 HD2 PRO 14 1HD PRO 14 13.036 -11.650 -3.473 108 HD3 PRO 14 2HD PRO 14 13.139 -13.401 -3.779 109 H ILE 15 H ILE 15 8.569 -11.023 -6.066 110 HA ILE 15 HA ILE 15 9.103 -8.535 -4.609 111 HB ILE 15 HB ILE 15 8.083 -8.745 -7.447 112 HG12 ILE 15 1HG1 ILE 15 10.857 -7.987 -6.467 113 HG13 ILE 15 2HG1 ILE 15 10.444 -9.498 -7.260 114 HG21 ILE 15 1HG2 ILE 15 8.529 -6.304 -7.496 115 HG22 ILE 15 2HG2 ILE 15 9.030 -6.374 -5.808 116 HG23 ILE 15 3HG2 ILE 15 7.357 -6.724 -6.244 117 HD11 ILE 15 3HD1 ILE 15 11.568 -7.940 -8.755 118 HD12 ILE 15 1HD1 ILE 15 10.282 -6.760 -8.503 119 HD13 ILE 15 2HD1 ILE 15 9.927 -8.290 -9.311 120 H GLN 16 H GLN 16 7.761 -7.995 -3.449 121 HA GLN 16 HA GLN 16 5.187 -9.327 -3.320 122 HB2 GLN 16 1HB GLN 16 5.542 -7.620 -1.125 123 HB3 GLN 16 2HB GLN 16 5.574 -9.390 -1.120 124 HG2 GLN 16 1HG GLN 16 7.572 -8.777 -0.105 125 HG3 GLN 16 2HG GLN 16 8.076 -9.000 -1.772 126 HE21 GLN 16 2HE2 GLN 16 6.848 -6.290 -2.515 127 HE22 GLN 16 1HE2 GLN 16 8.001 -5.166 -1.927 128 H TYR 17 H TYR 17 3.525 -8.419 -4.296 129 HA TYR 17 HA TYR 17 3.065 -5.542 -3.916 130 HB2 TYR 17 1HB TYR 17 2.384 -7.265 -6.298 131 HB3 TYR 17 2HB TYR 17 1.719 -5.658 -6.034 132 HD1 TYR 17 HD2 TYR 17 4.081 -4.185 -5.046 133 HD2 TYR 17 HD1 TYR 17 3.763 -7.053 -8.179 134 HE1 TYR 17 HE2 TYR 17 5.989 -3.187 -6.138 135 HE2 TYR 17 HE1 TYR 17 5.717 -6.041 -9.281 136 HH TYR 17 HH TYR 17 6.872 -3.893 -9.311 137 H ARG 18 H ARG 18 1.096 -4.900 -3.303 138 HA ARG 18 HA ARG 18 -1.028 -6.840 -2.975 139 HB2 ARG 18 1HB ARG 18 0.457 -6.836 -0.960 140 HB3 ARG 18 2HB ARG 18 0.107 -5.140 -0.749 141 HG2 ARG 18 1HG ARG 18 -1.241 -6.220 0.743 142 HG3 ARG 18 2HG ARG 18 -2.277 -5.792 -0.629 143 HD2 ARG 18 1HD ARG 18 -0.973 -8.464 -0.639 144 HD3 ARG 18 2HD ARG 18 -2.309 -8.185 0.472 145 HE ARG 18 HE ARG 18 -3.699 -7.724 -1.407 146 HH11 ARG 18 1HH1 ARG 18 -0.555 -9.004 -2.491 147 HH12 ARG 18 2HH1 ARG 18 -1.177 -9.986 -3.694 148 HH21 ARG 18 1HH2 ARG 18 -4.595 -9.123 -3.064 149 HH22 ARG 18 2HH2 ARG 18 -3.550 -10.050 -4.058 150 H VAL 19 H VAL 19 -2.814 -5.726 -3.640 151 HA VAL 19 HA VAL 19 -2.763 -2.872 -3.935 152 HB VAL 19 HB VAL 19 -5.143 -3.026 -4.555 153 HG11 VAL 19 1HG1 VAL 19 -3.530 -3.358 -6.283 154 HG12 VAL 19 2HG1 VAL 19 -4.910 -4.422 -6.550 155 HG13 VAL 19 3HG1 VAL 19 -3.405 -5.072 -5.894 156 HG21 VAL 19 3HG2 VAL 19 -5.853 -4.798 -3.066 157 HG22 VAL 19 1HG2 VAL 19 -4.870 -5.968 -3.953 158 HG23 VAL 19 2HG2 VAL 19 -6.249 -5.198 -4.738 159 H CYS 20 H CYS 20 -3.677 -1.328 -2.800 160 HA CYS 20 HA CYS 20 -3.861 -1.800 -0.031 161 HB2 CYS 20 1HB CYS 20 -3.145 0.368 -0.757 162 HB3 CYS 20 2HB CYS 20 -4.645 0.620 -1.647 163 H GLU 21 H GLU 21 -5.546 -2.009 1.294 164 HA GLU 21 HA GLU 21 -7.844 -3.293 0.415 165 HB2 GLU 21 1HB GLU 21 -7.465 -1.821 3.009 166 HB3 GLU 21 2HB GLU 21 -8.649 -3.078 2.700 167 HG2 GLU 21 1HG GLU 21 -5.658 -3.428 2.717 168 HG3 GLU 21 2HG GLU 21 -6.749 -3.855 4.025 169 H LYS 22 H LYS 22 -7.352 0.140 1.239 170 HA LYS 22 HA LYS 22 -10.104 0.521 0.369 171 HB2 LYS 22 1HB LYS 22 -10.133 2.732 1.480 172 HB3 LYS 22 2HB LYS 22 -9.877 1.384 2.561 173 HG2 LYS 22 1HG LYS 22 -7.545 1.956 2.808 174 HG3 LYS 22 2HG LYS 22 -7.679 3.186 1.554 175 HD2 LYS 22 1HD LYS 22 -7.733 4.249 3.739 176 HD3 LYS 22 2HD LYS 22 -9.292 4.430 2.947 177 HE2 LYS 22 1HE LYS 22 -9.831 3.875 5.189 178 HE3 LYS 22 2HE LYS 22 -10.021 2.376 4.305 179 HZ1 LYS 22 3HZ LYS 22 -8.866 1.967 6.339 180 HZ2 LYS 22 1HZ LYS 22 -7.739 3.160 6.026 181 HZ3 LYS 22 2HZ LYS 22 -7.736 1.771 5.104 182 H CYS 23 H CYS 23 -6.881 1.741 -0.426 183 HA CYS 23 HA CYS 23 -8.012 3.618 -2.303 184 HB2 CYS 23 1HB CYS 23 -5.134 2.716 -2.153 185 HB3 CYS 23 2HB CYS 23 -5.746 4.141 -2.977 186 H GLY 24 H GLY 24 -7.110 0.260 -2.502 187 HA2 GLY 24 1HA GLY 24 -7.575 -1.188 -4.219 188 HA3 GLY 24 2HA GLY 24 -8.033 0.167 -5.232 189 H LYS 25 H LYS 25 -5.422 1.482 -4.716 190 HA LYS 25 HA LYS 25 -4.016 0.619 -6.958 191 HB2 LYS 25 1HB LYS 25 -3.103 2.263 -4.673 192 HB3 LYS 25 2HB LYS 25 -2.187 2.009 -6.152 193 HG2 LYS 25 1HG LYS 25 -4.087 2.943 -7.422 194 HG3 LYS 25 2HG LYS 25 -4.859 3.339 -5.876 195 HD2 LYS 25 1HD LYS 25 -2.779 4.292 -5.246 196 HD3 LYS 25 2HD LYS 25 -2.222 4.273 -6.907 197 HE2 LYS 25 1HE LYS 25 -4.259 5.548 -7.609 198 HE3 LYS 25 2HE LYS 25 -4.689 5.737 -5.911 199 HZ1 LYS 25 3HZ LYS 25 -3.585 7.697 -6.763 200 HZ2 LYS 25 1HZ LYS 25 -2.237 6.812 -7.208 201 HZ3 LYS 25 2HZ LYS 25 -2.613 6.996 -5.586 202 HA PRO 26 HA PRO 26 -1.429 -2.638 -5.167 203 HB2 PRO 26 1HB PRO 26 0.182 -3.062 -7.244 204 HB3 PRO 26 2HB PRO 26 -1.498 -3.594 -7.267 205 HG2 PRO 26 1HG PRO 26 -0.285 -1.191 -8.570 206 HG3 PRO 26 2HG PRO 26 -1.531 -2.286 -9.193 207 HD2 PRO 26 1HD PRO 26 -2.061 0.185 -8.065 208 HD3 PRO 26 2HD PRO 26 -3.220 -1.161 -8.115 209 H LEU 27 H LEU 27 0.150 -2.358 -3.816 210 HA LEU 27 HA LEU 27 2.373 -0.642 -4.578 211 HB2 LEU 27 1HB LEU 27 2.601 0.076 -2.224 212 HB3 LEU 27 2HB LEU 27 1.139 0.664 -2.977 213 HG LEU 27 HG LEU 27 0.986 -1.816 -1.296 214 HD11 LEU 27 1HD1 LEU 27 0.619 -0.437 0.658 215 HD12 LEU 27 2HD1 LEU 27 1.009 1.014 -0.272 216 HD13 LEU 27 3HD1 LEU 27 2.251 -0.209 0.033 217 HD21 LEU 27 3HD2 LEU 27 -0.969 -1.058 -2.563 218 HD22 LEU 27 1HD2 LEU 27 -0.870 0.515 -1.778 219 HD23 LEU 27 2HD2 LEU 27 -1.236 -0.927 -0.826 220 H ALA 28 H ALA 28 4.302 -1.150 -3.296 221 HA ALA 28 HA ALA 28 4.611 -4.013 -3.077 222 HB1 ALA 28 3HB ALA 28 6.347 -2.661 -4.185 223 HB2 ALA 28 1HB ALA 28 6.977 -3.489 -2.760 224 HB3 ALA 28 2HB ALA 28 6.594 -1.771 -2.686 225 H LEU 29 H LEU 29 5.147 -5.065 -1.207 226 HA LEU 29 HA LEU 29 4.067 -4.022 1.200 227 HB2 LEU 29 1HB LEU 29 5.688 -6.473 0.640 228 HB3 LEU 29 2HB LEU 29 5.439 -5.983 2.294 229 HG LEU 29 HG LEU 29 3.863 -7.701 1.695 230 HD11 LEU 29 1HD1 LEU 29 1.770 -6.619 2.307 231 HD12 LEU 29 2HD1 LEU 29 2.478 -5.045 1.981 232 HD13 LEU 29 3HD1 LEU 29 3.120 -6.050 3.284 233 HD21 LEU 29 3HD2 LEU 29 2.866 -5.838 -0.464 234 HD22 LEU 29 1HD2 LEU 29 2.107 -7.343 0.043 235 HD23 LEU 29 2HD2 LEU 29 3.688 -7.382 -0.713 236 H THR 30 H THR 30 7.152 -3.564 -0.170 237 HA THR 30 HA THR 30 8.475 -2.924 2.240 238 HB THR 30 HB THR 30 10.011 -1.912 0.320 239 HG1 THR 30 HG1 THR 30 9.596 -2.739 -1.587 240 HG21 THR 30 3HG2 THR 30 10.600 -3.763 1.824 241 HG22 THR 30 1HG2 THR 30 11.065 -4.129 0.164 242 HG23 THR 30 2HG2 THR 30 9.619 -4.864 0.852 243 H ALA 31 H ALA 31 6.063 -1.339 0.592 244 HA ALA 31 HA ALA 31 7.014 1.276 1.538 245 HB1 ALA 31 3HB ALA 31 5.939 2.332 -0.384 246 HB2 ALA 31 1HB ALA 31 5.441 0.751 -0.984 247 HB3 ALA 31 2HB ALA 31 7.150 1.162 -0.914 248 H ILE 32 H ILE 32 5.005 -1.035 2.310 249 HA ILE 32 HA ILE 32 2.476 0.221 2.072 250 HB ILE 32 HB ILE 32 2.588 -2.250 2.123 251 HG12 ILE 32 1HG1 ILE 32 0.958 -1.127 4.414 252 HG13 ILE 32 2HG1 ILE 32 0.487 -1.052 2.724 253 HG21 ILE 32 1HG2 ILE 32 4.337 -2.593 3.763 254 HG22 ILE 32 2HG2 ILE 32 2.874 -3.440 4.266 255 HG23 ILE 32 3HG2 ILE 32 3.317 -1.914 5.032 256 HD11 ILE 32 3HD1 ILE 32 -0.685 -2.812 3.906 257 HD12 ILE 32 1HD1 ILE 32 0.851 -3.554 4.362 258 HD13 ILE 32 2HD1 ILE 32 0.367 -3.496 2.666 259 H VAL 33 H VAL 33 4.809 0.125 4.691 260 HA VAL 33 HA VAL 33 3.123 1.148 6.703 261 HB VAL 33 HB VAL 33 6.125 1.550 6.372 262 HG11 VAL 33 1HG1 VAL 33 4.401 1.952 8.828 263 HG12 VAL 33 2HG1 VAL 33 5.176 3.232 7.893 264 HG13 VAL 33 3HG1 VAL 33 6.161 2.067 8.772 265 HG21 VAL 33 3HG2 VAL 33 4.578 -0.414 8.058 266 HG22 VAL 33 1HG2 VAL 33 6.332 -0.288 7.957 267 HG23 VAL 33 2HG2 VAL 33 5.395 -0.807 6.551 268 H ASP 34 H ASP 34 5.368 2.873 4.569 269 HA ASP 34 HA ASP 34 4.707 5.494 5.232 270 HB2 ASP 34 1HB ASP 34 6.613 5.082 3.829 271 HB3 ASP 34 2HB ASP 34 5.615 4.297 2.609 272 H HIS 35 H HIS 35 3.357 3.415 2.723 273 HA HIS 35 HA HIS 35 1.510 5.264 1.817 274 HB2 HIS 35 1HB HIS 35 1.995 3.339 0.438 275 HB3 HIS 35 2HB HIS 35 1.363 2.246 1.671 276 HD1 HIS 35 HD1 HIS 35 0.253 4.689 -0.920 277 HD2 HIS 35 HD2 HIS 35 -1.370 2.088 1.839 278 HE1 HIS 35 HE1 HIS 35 -2.234 4.712 -1.376 279 H LEU 36 H LEU 36 1.002 2.733 4.322 280 HA LEU 36 HA LEU 36 -1.703 3.501 4.564 281 HB2 LEU 36 1HB LEU 36 -1.835 2.063 6.593 282 HB3 LEU 36 2HB LEU 36 -1.216 1.243 5.188 283 HG LEU 36 HG LEU 36 1.091 1.544 6.181 284 HD11 LEU 36 1HD1 LEU 36 1.240 1.842 8.614 285 HD12 LEU 36 2HD1 LEU 36 -0.487 2.192 8.669 286 HD13 LEU 36 3HD1 LEU 36 0.607 3.284 7.819 287 HD21 LEU 36 3HD2 LEU 36 0.837 -0.375 7.679 288 HD22 LEU 36 1HD2 LEU 36 -0.070 -0.582 6.180 289 HD23 LEU 36 2HD2 LEU 36 -0.912 -0.145 7.667 290 H GLU 37 H GLU 37 1.134 4.788 5.970 291 HA GLU 37 HA GLU 37 -0.397 6.285 7.889 292 HB2 GLU 37 1HB GLU 37 1.946 5.617 8.336 293 HB3 GLU 37 2HB GLU 37 2.471 6.644 7.009 294 HG2 GLU 37 1HG GLU 37 1.598 8.603 8.192 295 HG3 GLU 37 2HG GLU 37 1.114 7.569 9.532 296 H ASN 38 H ASN 38 0.532 6.709 4.497 297 HA ASN 38 HA ASN 38 0.343 9.589 4.605 298 HB2 ASN 38 1HB ASN 38 2.202 8.666 3.385 299 HB3 ASN 38 2HB ASN 38 1.146 7.576 2.513 300 HD21 ASN 38 2HD2 ASN 38 2.323 10.832 2.752 301 HD22 ASN 38 1HD2 ASN 38 1.703 11.363 1.234 302 H HIS 39 H HIS 39 -1.463 6.825 3.919 303 HA HIS 39 HA HIS 39 -2.659 8.162 1.979 304 HB2 HIS 39 1HB HIS 39 -4.102 6.285 1.421 305 HB3 HIS 39 2HB HIS 39 -2.457 5.827 1.858 306 HD2 HIS 39 HD2 HIS 39 -3.813 5.961 5.199 307 HE1 HIS 39 HE1 HIS 39 -5.249 2.221 3.841 308 HE2 HIS 39 HE2 HIS 39 -5.016 3.770 5.783 309 H CYS 40 H CYS 40 -5.289 8.292 1.899 310 HA CYS 40 HA CYS 40 -6.095 10.156 3.750 311 HB2 CYS 40 1HB CYS 40 -8.401 9.691 2.800 312 HB3 CYS 40 2HB CYS 40 -7.148 10.119 1.639 313 HG CYS 40 HG CYS 40 -9.009 7.438 1.889 314 H ALA 41 H ALA 41 -6.638 10.005 5.797 315 HA ALA 41 HA ALA 41 -7.541 7.446 6.896 316 HB1 ALA 41 3HB ALA 41 -6.362 9.849 8.290 317 HB2 ALA 41 1HB ALA 41 -5.499 8.366 7.883 318 HB3 ALA 41 2HB ALA 41 -6.817 8.322 9.050 319 H GLY 42 H GLY 42 -9.648 7.348 7.045 320 HA2 GLY 42 1HA GLY 42 -11.573 7.959 8.317 321 HA3 GLY 42 2HA GLY 42 -11.065 9.639 8.216 322 H ALA 43 H ALA 43 -10.389 9.480 5.445 323 HA ALA 43 HA ALA 43 -13.075 9.325 4.276 324 HB1 ALA 43 3HB ALA 43 -10.844 11.251 3.623 325 HB2 ALA 43 1HB ALA 43 -12.318 11.638 4.508 326 HB3 ALA 43 2HB ALA 43 -12.408 11.180 2.807 327 H SER 44 H SER 44 -13.004 8.944 1.899 328 HA SER 44 HA SER 44 -10.620 7.728 0.868 329 HB2 SER 44 1HB SER 44 -11.839 5.879 2.126 330 HB3 SER 44 2HB SER 44 -13.213 6.127 1.055 331 HG SER 44 HG SER 44 -12.037 5.360 -0.638 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 -15.717 -21.609 -20.669 2 H2 ASN 1 2H ASN 1 -15.706 -20.193 -21.607 3 H3 ASN 1 3H ASN 1 -16.230 -20.140 -20.015 4 HA ASN 1 HA ASN 1 -14.099 -20.638 -19.201 5 HB2 ASN 1 1HB ASN 1 -12.146 -20.663 -20.778 6 HB3 ASN 1 2HB ASN 1 -13.234 -22.020 -21.012 7 HD21 ASN 1 2HD2 ASN 1 -12.523 -22.402 -23.088 8 HD22 ASN 1 1HD2 ASN 1 -12.878 -21.366 -24.421 9 HA PRO 2 HA PRO 2 -13.763 -16.179 -19.171 10 HB2 PRO 2 1HB PRO 2 -10.968 -16.475 -18.272 11 HB3 PRO 2 2HB PRO 2 -12.332 -15.750 -17.414 12 HG2 PRO 2 1HG PRO 2 -11.274 -18.090 -16.649 13 HG3 PRO 2 2HG PRO 2 -13.008 -17.763 -16.528 14 HD2 PRO 2 1HD PRO 2 -11.531 -19.377 -18.568 15 HD3 PRO 2 2HD PRO 2 -13.080 -19.705 -17.767 16 H ASN 3 H ASN 3 -11.005 -18.044 -20.220 17 HA ASN 3 HA ASN 3 -10.731 -16.549 -22.688 18 HB2 ASN 3 1HB ASN 3 -8.404 -17.269 -20.844 19 HB3 ASN 3 2HB ASN 3 -8.258 -16.572 -22.446 20 HD21 ASN 3 2HD2 ASN 3 -8.616 -14.359 -22.712 21 HD22 ASN 3 1HD2 ASN 3 -8.689 -13.295 -21.357 22 H ALA 4 H ALA 4 -9.701 -18.068 -24.245 23 HA ALA 4 HA ALA 4 -10.398 -20.773 -23.694 24 HB1 ALA 4 3HB ALA 4 -8.759 -19.567 -25.924 25 HB2 ALA 4 1HB ALA 4 -10.480 -19.925 -25.977 26 HB3 ALA 4 2HB ALA 4 -9.312 -21.243 -25.887 27 H GLN 5 H GLN 5 -7.439 -18.918 -23.807 28 HA GLN 5 HA GLN 5 -6.285 -20.850 -21.994 29 HB2 GLN 5 1HB GLN 5 -4.060 -20.630 -23.100 30 HB3 GLN 5 2HB GLN 5 -5.242 -21.424 -24.113 31 HG2 GLN 5 1HG GLN 5 -5.559 -19.233 -25.302 32 HG3 GLN 5 2HG GLN 5 -4.236 -18.595 -24.337 33 HE21 GLN 5 2HE2 GLN 5 -4.352 -21.870 -25.641 34 HE22 GLN 5 1HE2 GLN 5 -3.058 -21.639 -26.761 35 H LEU 6 H LEU 6 -6.133 -19.790 -20.180 36 HA LEU 6 HA LEU 6 -5.961 -16.930 -20.150 37 HB2 LEU 6 1HB LEU 6 -5.758 -18.922 -17.876 38 HB3 LEU 6 2HB LEU 6 -5.729 -17.193 -17.658 39 HG LEU 6 HG LEU 6 -8.064 -17.141 -18.642 40 HD11 LEU 6 1HD1 LEU 6 -9.379 -19.188 -18.557 41 HD12 LEU 6 2HD1 LEU 6 -7.928 -20.111 -18.181 42 HD13 LEU 6 3HD1 LEU 6 -8.077 -19.311 -19.743 43 HD21 LEU 6 3HD2 LEU 6 -7.618 -18.641 -16.069 44 HD22 LEU 6 1HD2 LEU 6 -9.112 -17.835 -16.540 45 HD23 LEU 6 2HD2 LEU 6 -7.649 -16.891 -16.269 46 H ILE 7 H ILE 7 -4.156 -15.835 -20.474 47 HA ILE 7 HA ILE 7 -1.668 -17.119 -19.649 48 HB ILE 7 HB ILE 7 -2.058 -15.351 -22.081 49 HG12 ILE 7 1HG1 ILE 7 -1.480 -18.324 -21.913 50 HG13 ILE 7 2HG1 ILE 7 -3.009 -17.606 -22.398 51 HG21 ILE 7 1HG2 ILE 7 0.137 -15.045 -21.077 52 HG22 ILE 7 2HG2 ILE 7 0.292 -15.938 -22.594 53 HG23 ILE 7 3HG2 ILE 7 0.393 -16.790 -21.056 54 HD11 ILE 7 3HD1 ILE 7 -1.917 -16.621 -24.355 55 HD12 ILE 7 1HD1 ILE 7 -1.732 -18.374 -24.318 56 HD13 ILE 7 2HD1 ILE 7 -0.387 -17.338 -23.851 57 H GLU 8 H GLU 8 -1.319 -16.051 -17.799 58 HA GLU 8 HA GLU 8 -1.115 -13.143 -17.917 59 HB2 GLU 8 1HB GLU 8 -0.849 -15.134 -15.633 60 HB3 GLU 8 2HB GLU 8 -0.500 -13.422 -15.470 61 HG2 GLU 8 1HG GLU 8 -3.178 -14.530 -16.276 62 HG3 GLU 8 2HG GLU 8 -2.734 -14.093 -14.625 63 H ASP 9 H ASP 9 0.899 -12.297 -18.245 64 HA ASP 9 HA ASP 9 2.929 -14.232 -18.856 65 HB2 ASP 9 1HB ASP 9 2.662 -12.309 -20.350 66 HB3 ASP 9 2HB ASP 9 3.060 -11.216 -19.024 67 HA PRO 10 HA PRO 10 4.528 -14.027 -14.746 68 HB2 PRO 10 1HB PRO 10 6.586 -15.753 -15.113 69 HB3 PRO 10 2HB PRO 10 4.912 -16.290 -14.930 70 HG2 PRO 10 1HG PRO 10 6.540 -15.987 -17.414 71 HG3 PRO 10 2HG PRO 10 5.400 -17.267 -16.974 72 HD2 PRO 10 1HD PRO 10 4.777 -15.220 -18.651 73 HD3 PRO 10 2HD PRO 10 3.575 -16.042 -17.633 74 H LEU 11 H LEU 11 5.896 -12.606 -13.905 75 HA LEU 11 HA LEU 11 7.840 -11.360 -15.651 76 HB2 LEU 11 1HB LEU 11 6.269 -9.986 -14.307 77 HB3 LEU 11 2HB LEU 11 6.953 -10.666 -12.848 78 HG LEU 11 HG LEU 11 9.127 -9.607 -13.421 79 HD11 LEU 11 1HD1 LEU 11 7.543 -8.313 -15.626 80 HD12 LEU 11 2HD1 LEU 11 8.871 -9.459 -15.817 81 HD13 LEU 11 3HD1 LEU 11 9.174 -7.865 -15.131 82 HD21 LEU 11 3HD2 LEU 11 6.763 -7.741 -13.240 83 HD22 LEU 11 1HD2 LEU 11 8.436 -7.321 -12.867 84 HD23 LEU 11 2HD2 LEU 11 7.589 -8.516 -11.887 85 H ASP 12 H ASP 12 9.903 -12.017 -15.581 86 HA ASP 12 HA ASP 12 10.888 -13.960 -13.808 87 HB2 ASP 12 1HB ASP 12 12.024 -13.712 -15.886 88 HB3 ASP 12 2HB ASP 12 12.345 -12.006 -15.595 89 H LYS 13 H LYS 13 11.155 -10.473 -13.774 90 HA LYS 13 HA LYS 13 12.684 -10.258 -11.343 91 HB2 LYS 13 1HB LYS 13 12.224 -8.321 -13.016 92 HB3 LYS 13 2HB LYS 13 10.583 -8.389 -12.342 93 HG2 LYS 13 1HG LYS 13 11.433 -7.899 -10.125 94 HG3 LYS 13 2HG LYS 13 13.062 -7.765 -10.778 95 HD2 LYS 13 1HD LYS 13 12.405 -5.871 -12.133 96 HD3 LYS 13 2HD LYS 13 10.727 -6.057 -11.616 97 HE2 LYS 13 1HE LYS 13 11.364 -5.620 -9.316 98 HE3 LYS 13 2HE LYS 13 13.052 -5.477 -9.789 99 HZ1 LYS 13 3HZ LYS 13 12.464 -3.549 -11.119 100 HZ2 LYS 13 1HZ LYS 13 12.039 -3.323 -9.506 101 HZ3 LYS 13 2HZ LYS 13 10.848 -3.673 -10.645 102 HA PRO 14 HA PRO 14 9.449 -11.372 -8.780 103 HB2 PRO 14 1HB PRO 14 10.792 -11.510 -6.502 104 HB3 PRO 14 2HB PRO 14 11.178 -12.542 -7.917 105 HG2 PRO 14 1HG PRO 14 12.585 -10.064 -7.065 106 HG3 PRO 14 2HG PRO 14 13.268 -11.670 -7.404 107 HD2 PRO 14 1HD PRO 14 13.098 -9.658 -9.253 108 HD3 PRO 14 2HD PRO 14 13.127 -11.389 -9.652 109 H ILE 15 H ILE 15 7.961 -9.990 -8.277 110 HA ILE 15 HA ILE 15 8.685 -7.594 -6.758 111 HB ILE 15 HB ILE 15 6.749 -6.416 -7.755 112 HG12 ILE 15 1HG1 ILE 15 6.565 -8.770 -9.664 113 HG13 ILE 15 2HG1 ILE 15 5.423 -8.420 -8.376 114 HG21 ILE 15 1HG2 ILE 15 8.757 -7.381 -9.777 115 HG22 ILE 15 2HG2 ILE 15 8.931 -6.009 -8.689 116 HG23 ILE 15 3HG2 ILE 15 7.715 -5.971 -9.970 117 HD11 ILE 15 3HD1 ILE 15 4.840 -6.315 -9.483 118 HD12 ILE 15 1HD1 ILE 15 4.566 -7.701 -10.539 119 HD13 ILE 15 2HD1 ILE 15 5.983 -6.681 -10.772 120 H GLN 16 H GLN 16 7.388 -6.950 -5.181 121 HA GLN 16 HA GLN 16 5.565 -9.050 -4.191 122 HB2 GLN 16 1HB GLN 16 7.257 -7.241 -2.458 123 HB3 GLN 16 2HB GLN 16 6.416 -8.700 -1.984 124 HG2 GLN 16 1HG GLN 16 8.746 -9.200 -1.974 125 HG3 GLN 16 2HG GLN 16 8.087 -9.982 -3.413 126 HE21 GLN 16 2HE2 GLN 16 8.749 -6.539 -3.105 127 HE22 GLN 16 1HE2 GLN 16 9.983 -6.501 -4.287 128 H TYR 17 H TYR 17 3.602 -8.142 -4.319 129 HA TYR 17 HA TYR 17 3.260 -5.304 -3.687 130 HB2 TYR 17 1HB TYR 17 2.623 -6.704 -6.252 131 HB3 TYR 17 2HB TYR 17 1.604 -5.389 -5.699 132 HD1 TYR 17 HD1 TYR 17 5.329 -6.046 -6.254 133 HD2 TYR 17 HD2 TYR 17 2.058 -3.323 -6.504 134 HE1 TYR 17 HE1 TYR 17 6.757 -4.392 -7.360 135 HE2 TYR 17 HE2 TYR 17 3.510 -1.687 -7.580 136 HH TYR 17 HH TYR 17 6.474 -2.487 -8.867 137 H ARG 18 H ARG 18 1.485 -4.879 -2.634 138 HA ARG 18 HA ARG 18 -0.624 -6.901 -2.534 139 HB2 ARG 18 1HB ARG 18 -0.891 -6.541 -0.132 140 HB3 ARG 18 2HB ARG 18 0.734 -7.098 -0.477 141 HG2 ARG 18 1HG ARG 18 1.574 -4.820 -0.210 142 HG3 ARG 18 2HG ARG 18 -0.067 -4.247 0.100 143 HD2 ARG 18 1HD ARG 18 1.510 -6.207 1.767 144 HD3 ARG 18 2HD ARG 18 1.072 -4.556 2.202 145 HE ARG 18 HE ARG 18 -1.294 -5.841 1.653 146 HH11 ARG 18 1HH1 ARG 18 1.291 -6.241 4.038 147 HH12 ARG 18 2HH1 ARG 18 0.289 -7.043 5.148 148 HH21 ARG 18 1HH2 ARG 18 -2.608 -6.929 3.158 149 HH22 ARG 18 2HH2 ARG 18 -1.973 -7.466 4.659 150 H VAL 19 H VAL 19 -2.721 -5.983 -2.284 151 HA VAL 19 HA VAL 19 -2.729 -3.200 -3.116 152 HB VAL 19 HB VAL 19 -5.028 -3.426 -3.767 153 HG11 VAL 19 1HG1 VAL 19 -3.412 -5.748 -4.750 154 HG12 VAL 19 2HG1 VAL 19 -3.490 -4.111 -5.420 155 HG13 VAL 19 3HG1 VAL 19 -4.899 -5.162 -5.491 156 HG21 VAL 19 3HG2 VAL 19 -4.980 -6.239 -2.651 157 HG22 VAL 19 1HG2 VAL 19 -6.291 -5.510 -3.593 158 HG23 VAL 19 2HG2 VAL 19 -5.876 -4.854 -2.011 159 H CYS 20 H CYS 20 -3.703 -1.619 -2.147 160 HA CYS 20 HA CYS 20 -4.401 -1.899 0.660 161 HB2 CYS 20 1HB CYS 20 -3.150 0.101 -0.040 162 HB3 CYS 20 2HB CYS 20 -4.409 0.504 -1.206 163 H GLU 21 H GLU 21 -6.565 -1.667 1.446 164 HA GLU 21 HA GLU 21 -8.548 -2.672 -0.244 165 HB2 GLU 21 1HB GLU 21 -8.609 -3.039 2.172 166 HB3 GLU 21 2HB GLU 21 -8.824 -1.329 2.454 167 HG2 GLU 21 1HG GLU 21 -10.910 -2.524 2.725 168 HG3 GLU 21 2HG GLU 21 -10.993 -1.384 1.382 169 H LYS 22 H LYS 22 -8.534 0.542 1.284 170 HA LYS 22 HA LYS 22 -10.727 1.384 -0.289 171 HB2 LYS 22 1HB LYS 22 -10.309 3.650 0.596 172 HB3 LYS 22 2HB LYS 22 -10.455 2.385 1.808 173 HG2 LYS 22 1HG LYS 22 -8.095 2.408 2.189 174 HG3 LYS 22 2HG LYS 22 -7.850 3.527 0.854 175 HD2 LYS 22 1HD LYS 22 -7.734 4.664 3.033 176 HD3 LYS 22 2HD LYS 22 -9.063 5.263 2.051 177 HE2 LYS 22 1HE LYS 22 -9.471 3.146 4.159 178 HE3 LYS 22 2HE LYS 22 -9.478 4.857 4.566 179 HZ1 LYS 22 3HZ LYS 22 -11.428 3.440 2.765 180 HZ2 LYS 22 1HZ LYS 22 -11.307 5.120 2.920 181 HZ3 LYS 22 2HZ LYS 22 -11.721 4.184 4.229 182 H CYS 23 H CYS 23 -7.304 1.868 -0.755 183 HA CYS 23 HA CYS 23 -7.837 3.742 -2.890 184 HB2 CYS 23 1HB CYS 23 -5.188 2.560 -2.067 185 HB3 CYS 23 2HB CYS 23 -5.444 4.018 -3.015 186 H GLY 24 H GLY 24 -7.350 0.309 -2.580 187 HA2 GLY 24 1HA GLY 24 -7.247 -1.384 -4.061 188 HA3 GLY 24 2HA GLY 24 -7.892 -0.313 -5.277 189 H LYS 25 H LYS 25 -5.013 0.586 -3.742 190 HA LYS 25 HA LYS 25 -3.544 0.397 -6.236 191 HB2 LYS 25 1HB LYS 25 -2.868 1.589 -3.564 192 HB3 LYS 25 2HB LYS 25 -1.730 1.513 -4.894 193 HG2 LYS 25 1HG LYS 25 -4.369 2.958 -4.944 194 HG3 LYS 25 2HG LYS 25 -2.786 3.694 -4.665 195 HD2 LYS 25 1HD LYS 25 -2.099 2.730 -6.905 196 HD3 LYS 25 2HD LYS 25 -3.801 2.357 -7.162 197 HE2 LYS 25 1HE LYS 25 -3.232 4.474 -8.201 198 HE3 LYS 25 2HE LYS 25 -4.365 4.727 -6.874 199 HZ1 LYS 25 3HZ LYS 25 -1.421 5.145 -6.715 200 HZ2 LYS 25 1HZ LYS 25 -2.518 5.427 -5.470 201 HZ3 LYS 25 2HZ LYS 25 -2.570 6.360 -6.851 202 HA PRO 26 HA PRO 26 -1.315 -3.143 -4.583 203 HB2 PRO 26 1HB PRO 26 -0.178 -3.771 -7.031 204 HB3 PRO 26 2HB PRO 26 -1.682 -4.455 -6.431 205 HG2 PRO 26 1HG PRO 26 -1.332 -2.660 -8.646 206 HG3 PRO 26 2HG PRO 26 -2.837 -3.354 -8.036 207 HD2 PRO 26 1HD PRO 26 -1.734 -0.662 -7.637 208 HD3 PRO 26 2HD PRO 26 -3.386 -1.258 -7.383 209 H LEU 27 H LEU 27 0.420 -2.461 -3.510 210 HA LEU 27 HA LEU 27 2.579 -1.320 -5.087 211 HB2 LEU 27 1HB LEU 27 3.135 0.339 -3.431 212 HB3 LEU 27 2HB LEU 27 1.487 0.575 -3.946 213 HG LEU 27 HG LEU 27 2.209 -0.782 -1.346 214 HD11 LEU 27 1HD1 LEU 27 3.122 1.470 -1.406 215 HD12 LEU 27 2HD1 LEU 27 1.735 1.379 -0.324 216 HD13 LEU 27 3HD1 LEU 27 1.556 2.100 -1.922 217 HD21 LEU 27 3HD2 LEU 27 -0.095 -0.151 -0.736 218 HD22 LEU 27 1HD2 LEU 27 -0.077 -1.208 -2.146 219 HD23 LEU 27 2HD2 LEU 27 -0.333 0.522 -2.349 220 H ALA 28 H ALA 28 4.636 -1.393 -3.885 221 HA ALA 28 HA ALA 28 5.203 -4.041 -3.199 222 HB1 ALA 28 3HB ALA 28 6.855 -2.489 -4.101 223 HB2 ALA 28 1HB ALA 28 7.396 -3.228 -2.596 224 HB3 ALA 28 2HB ALA 28 6.806 -1.566 -2.598 225 H LEU 29 H LEU 29 5.485 -5.068 -1.407 226 HA LEU 29 HA LEU 29 3.996 -4.257 0.828 227 HB2 LEU 29 1HB LEU 29 4.969 -6.242 2.024 228 HB3 LEU 29 2HB LEU 29 4.117 -6.552 0.531 229 HG LEU 29 HG LEU 29 6.353 -6.763 -0.594 230 HD11 LEU 29 1HD1 LEU 29 8.301 -7.242 0.786 231 HD12 LEU 29 2HD1 LEU 29 7.384 -6.799 2.231 232 HD13 LEU 29 3HD1 LEU 29 7.738 -5.582 1.005 233 HD21 LEU 29 3HD2 LEU 29 6.726 -9.014 0.247 234 HD22 LEU 29 1HD2 LEU 29 5.020 -8.629 -0.000 235 HD23 LEU 29 2HD2 LEU 29 5.686 -8.644 1.637 236 H THR 30 H THR 30 7.153 -3.390 0.092 237 HA THR 30 HA THR 30 7.903 -2.760 2.798 238 HB THR 30 HB THR 30 9.116 -1.831 0.199 239 HG1 THR 30 HG1 THR 30 9.815 -4.125 1.718 240 HG21 THR 30 3HG2 THR 30 11.192 -1.752 1.537 241 HG22 THR 30 1HG2 THR 30 10.279 -2.233 2.967 242 HG23 THR 30 2HG2 THR 30 9.951 -0.682 2.191 243 H ALA 31 H ALA 31 6.363 -1.222 0.074 244 HA ALA 31 HA ALA 31 6.785 1.475 1.017 245 HB1 ALA 31 3HB ALA 31 5.217 0.407 -1.322 246 HB2 ALA 31 1HB ALA 31 6.886 0.966 -1.366 247 HB3 ALA 31 2HB ALA 31 5.581 2.104 -1.024 248 H ILE 32 H ILE 32 4.545 -0.988 1.499 249 HA ILE 32 HA ILE 32 2.167 0.467 1.680 250 HB ILE 32 HB ILE 32 2.165 -2.016 1.556 251 HG12 ILE 32 1HG1 ILE 32 0.329 -2.458 3.171 252 HG13 ILE 32 2HG1 ILE 32 0.707 -0.951 3.993 253 HG21 ILE 32 1HG2 ILE 32 3.042 -1.909 4.434 254 HG22 ILE 32 2HG2 ILE 32 3.987 -2.517 3.071 255 HG23 ILE 32 3HG2 ILE 32 2.524 -3.361 3.578 256 HD11 ILE 32 3HD1 ILE 32 0.072 0.300 2.006 257 HD12 ILE 32 1HD1 ILE 32 -1.239 -0.744 2.551 258 HD13 ILE 32 2HD1 ILE 32 -0.267 -1.209 1.152 259 H VAL 33 H VAL 33 4.777 0.183 3.976 260 HA VAL 33 HA VAL 33 3.299 0.967 6.233 261 HB VAL 33 HB VAL 33 5.462 1.605 7.311 262 HG11 VAL 33 1HG1 VAL 33 5.453 -1.031 5.871 263 HG12 VAL 33 2HG1 VAL 33 4.739 -0.673 7.447 264 HG13 VAL 33 3HG1 VAL 33 6.488 -0.628 7.238 265 HG21 VAL 33 3HG2 VAL 33 6.675 2.479 5.364 266 HG22 VAL 33 1HG2 VAL 33 6.700 0.867 4.652 267 HG23 VAL 33 2HG2 VAL 33 7.587 1.184 6.142 268 H ASP 34 H ASP 34 5.292 2.945 4.076 269 HA ASP 34 HA ASP 34 4.619 5.422 5.245 270 HB2 ASP 34 1HB ASP 34 5.599 4.747 2.474 271 HB3 ASP 34 2HB ASP 34 5.352 6.393 3.040 272 H HIS 35 H HIS 35 3.295 3.583 2.577 273 HA HIS 35 HA HIS 35 1.432 5.500 1.771 274 HB2 HIS 35 1HB HIS 35 1.806 3.620 0.309 275 HB3 HIS 35 2HB HIS 35 1.280 2.487 1.552 276 HD1 HIS 35 HD1 HIS 35 -0.021 4.599 -1.188 277 HD2 HIS 35 HD2 HIS 35 -1.519 2.547 2.077 278 HE1 HIS 35 HE1 HIS 35 -2.500 4.545 -1.549 279 H LEU 36 H LEU 36 0.961 2.728 3.984 280 HA LEU 36 HA LEU 36 -1.749 3.325 4.443 281 HB2 LEU 36 1HB LEU 36 -0.573 1.126 4.796 282 HB3 LEU 36 2HB LEU 36 0.120 1.794 6.251 283 HG LEU 36 HG LEU 36 -2.220 2.137 7.080 284 HD11 LEU 36 1HD1 LEU 36 -3.989 0.801 6.051 285 HD12 LEU 36 2HD1 LEU 36 -2.912 0.430 4.703 286 HD13 LEU 36 3HD1 LEU 36 -3.420 2.093 4.998 287 HD21 LEU 36 3HD2 LEU 36 -2.532 -0.224 7.684 288 HD22 LEU 36 1HD2 LEU 36 -0.855 0.287 7.864 289 HD23 LEU 36 2HD2 LEU 36 -1.336 -0.680 6.470 290 H GLU 37 H GLU 37 1.209 4.401 5.902 291 HA GLU 37 HA GLU 37 0.034 5.663 8.123 292 HB2 GLU 37 1HB GLU 37 2.350 5.025 8.146 293 HB3 GLU 37 2HB GLU 37 2.690 6.046 6.764 294 HG2 GLU 37 1HG GLU 37 2.228 8.031 8.087 295 HG3 GLU 37 2HG GLU 37 1.807 7.010 9.462 296 H ASN 38 H ASN 38 0.624 6.798 4.716 297 HA ASN 38 HA ASN 38 -0.070 9.474 5.653 298 HB2 ASN 38 1HB ASN 38 2.261 9.159 4.769 299 HB3 ASN 38 2HB ASN 38 1.562 8.665 3.239 300 HD21 ASN 38 2HD2 ASN 38 2.496 10.308 2.101 301 HD22 ASN 38 1HD2 ASN 38 2.065 11.965 2.240 302 H HIS 39 H HIS 39 -1.437 6.918 4.343 303 HA HIS 39 HA HIS 39 -2.462 8.289 2.238 304 HB2 HIS 39 1HB HIS 39 -3.757 6.370 1.523 305 HB3 HIS 39 2HB HIS 39 -2.270 5.829 2.296 306 HD2 HIS 39 HD2 HIS 39 -3.969 6.114 5.371 307 HE1 HIS 39 HE1 HIS 39 -5.958 2.707 3.852 308 HE2 HIS 39 HE2 HIS 39 -5.716 4.301 5.743 309 H CYS 40 H CYS 40 -5.089 8.520 2.035 310 HA CYS 40 HA CYS 40 -5.829 10.190 4.184 311 HB2 CYS 40 1HB CYS 40 -7.424 9.219 1.820 312 HB3 CYS 40 2HB CYS 40 -7.907 10.518 2.912 313 HG CYS 40 HG CYS 40 -6.635 12.387 1.766 314 H ALA 41 H ALA 41 -6.543 9.559 6.057 315 HA ALA 41 HA ALA 41 -8.105 7.094 6.291 316 HB1 ALA 41 3HB ALA 41 -6.596 8.645 8.396 317 HB2 ALA 41 1HB ALA 41 -6.052 7.155 7.630 318 HB3 ALA 41 2HB ALA 41 -7.478 7.145 8.668 319 H GLY 42 H GLY 42 -10.202 7.269 6.735 320 HA2 GLY 42 1HA GLY 42 -12.080 8.077 7.892 321 HA3 GLY 42 2HA GLY 42 -11.226 9.589 8.185 322 H ALA 43 H ALA 43 -10.324 9.904 5.547 323 HA ALA 43 HA ALA 43 -12.786 10.399 4.034 324 HB1 ALA 43 3HB ALA 43 -10.207 11.989 4.100 325 HB2 ALA 43 1HB ALA 43 -11.761 12.512 4.746 326 HB3 ALA 43 2HB ALA 43 -11.559 12.303 3.009 327 H SER 44 H SER 44 -12.529 9.955 1.763 328 HA SER 44 HA SER 44 -10.034 8.794 0.899 329 HB2 SER 44 1HB SER 44 -12.574 7.114 0.951 330 HB3 SER 44 2HB SER 44 -11.029 6.625 0.253 331 HG SER 44 HG SER 44 -10.537 7.444 2.669 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 -3.966 -21.073 -0.542 2 H2 ASN 1 2H ASN 1 -3.927 -22.026 -1.941 3 H3 ASN 1 3H ASN 1 -2.521 -21.801 -1.001 4 HA ASN 1 HA ASN 1 -4.954 -23.094 -0.011 5 HB2 ASN 1 1HB ASN 1 -3.885 -24.490 -1.767 6 HB3 ASN 1 2HB ASN 1 -2.341 -24.334 -0.938 7 HD21 ASN 1 2HD2 ASN 1 -5.491 -25.827 -0.884 8 HD22 ASN 1 1HD2 ASN 1 -5.134 -26.995 0.309 9 HA PRO 2 HA PRO 2 -3.068 -21.917 3.802 10 HB2 PRO 2 1HB PRO 2 -4.473 -23.567 5.458 11 HB3 PRO 2 2HB PRO 2 -5.113 -22.059 4.790 12 HG2 PRO 2 1HG PRO 2 -5.532 -24.867 3.849 13 HG3 PRO 2 2HG PRO 2 -6.714 -23.555 4.007 14 HD2 PRO 2 1HD PRO 2 -5.648 -24.230 1.639 15 HD3 PRO 2 2HD PRO 2 -6.042 -22.546 2.045 16 H ASN 3 H ASN 3 -1.021 -22.607 3.804 17 HA ASN 3 HA ASN 3 -0.483 -25.380 4.642 18 HB2 ASN 3 1HB ASN 3 1.245 -23.490 3.013 19 HB3 ASN 3 2HB ASN 3 1.839 -24.977 3.726 20 HD21 ASN 3 2HD2 ASN 3 -0.095 -23.577 1.193 21 HD22 ASN 3 1HD2 ASN 3 -0.245 -25.030 0.282 22 H ALA 4 H ALA 4 0.436 -25.584 6.579 23 HA ALA 4 HA ALA 4 1.117 -23.195 8.070 24 HB1 ALA 4 3HB ALA 4 1.233 -26.111 8.859 25 HB2 ALA 4 1HB ALA 4 -0.111 -25.015 9.167 26 HB3 ALA 4 2HB ALA 4 1.445 -24.740 9.949 27 H GLN 5 H GLN 5 2.652 -26.192 7.047 28 HA GLN 5 HA GLN 5 5.258 -24.930 7.367 29 HB2 GLN 5 1HB GLN 5 4.506 -27.827 6.835 30 HB3 GLN 5 2HB GLN 5 6.154 -27.233 6.861 31 HG2 GLN 5 1HG GLN 5 5.773 -28.285 8.946 32 HG3 GLN 5 2HG GLN 5 5.782 -26.556 9.244 33 HE21 GLN 5 2HE2 GLN 5 3.043 -28.353 7.889 34 HE22 GLN 5 1HE2 GLN 5 2.018 -28.098 9.239 35 H LEU 6 H LEU 6 5.736 -23.787 5.637 36 HA LEU 6 HA LEU 6 5.410 -25.038 3.026 37 HB2 LEU 6 1HB LEU 6 3.500 -23.523 3.375 38 HB3 LEU 6 2HB LEU 6 4.606 -22.212 3.714 39 HG LEU 6 HG LEU 6 5.452 -22.357 1.390 40 HD11 LEU 6 1HD1 LEU 6 3.239 -24.373 1.037 41 HD12 LEU 6 2HD1 LEU 6 4.973 -24.685 0.910 42 HD13 LEU 6 3HD1 LEU 6 4.177 -23.638 -0.261 43 HD21 LEU 6 3HD2 LEU 6 2.471 -21.989 1.645 44 HD22 LEU 6 1HD2 LEU 6 3.479 -21.376 0.336 45 HD23 LEU 6 2HD2 LEU 6 3.698 -20.765 1.976 46 H ILE 7 H ILE 7 7.310 -24.992 2.054 47 HA ILE 7 HA ILE 7 9.415 -23.343 3.037 48 HB ILE 7 HB ILE 7 10.745 -24.239 1.170 49 HG12 ILE 7 1HG1 ILE 7 8.266 -25.864 0.549 50 HG13 ILE 7 2HG1 ILE 7 8.901 -24.556 -0.452 51 HG21 ILE 7 1HG2 ILE 7 9.303 -26.274 2.861 52 HG22 ILE 7 2HG2 ILE 7 10.735 -25.352 3.317 53 HG23 ILE 7 3HG2 ILE 7 10.831 -26.546 2.022 54 HD11 ILE 7 3HD1 ILE 7 10.342 -27.043 0.277 55 HD12 ILE 7 1HD1 ILE 7 10.913 -25.771 -0.789 56 HD13 ILE 7 2HD1 ILE 7 9.523 -26.776 -1.284 57 H GLU 8 H GLU 8 10.061 -21.400 2.309 58 HA GLU 8 HA GLU 8 8.411 -20.119 0.344 59 HB2 GLU 8 1HB GLU 8 9.228 -18.882 2.346 60 HB3 GLU 8 2HB GLU 8 10.880 -19.085 1.778 61 HG2 GLU 8 1HG GLU 8 10.409 -17.749 -0.179 62 HG3 GLU 8 2HG GLU 8 8.721 -17.599 0.291 63 H ASP 9 H ASP 9 8.978 -19.607 -1.692 64 HA ASP 9 HA ASP 9 11.059 -21.179 -2.884 65 HB2 ASP 9 1HB ASP 9 9.161 -19.144 -4.053 66 HB3 ASP 9 2HB ASP 9 10.391 -19.939 -5.015 67 HA PRO 10 HA PRO 10 14.046 -17.946 -2.239 68 HB2 PRO 10 1HB PRO 10 16.150 -19.240 -3.416 69 HB3 PRO 10 2HB PRO 10 15.605 -19.583 -1.772 70 HG2 PRO 10 1HG PRO 10 15.074 -21.081 -4.296 71 HG3 PRO 10 2HG PRO 10 15.398 -21.703 -2.668 72 HD2 PRO 10 1HD PRO 10 12.912 -21.558 -3.772 73 HD3 PRO 10 2HD PRO 10 13.207 -21.480 -2.026 74 H LEU 11 H LEU 11 14.271 -16.208 -3.498 75 HA LEU 11 HA LEU 11 14.452 -16.618 -6.354 76 HB2 LEU 11 1HB LEU 11 12.879 -14.845 -6.878 77 HB3 LEU 11 2HB LEU 11 12.108 -16.091 -5.944 78 HG LEU 11 HG LEU 11 12.946 -13.391 -4.843 79 HD11 LEU 11 1HD1 LEU 11 10.285 -14.445 -5.747 80 HD12 LEU 11 2HD1 LEU 11 11.218 -13.144 -6.496 81 HD13 LEU 11 3HD1 LEU 11 10.526 -12.932 -4.884 82 HD21 LEU 11 3HD2 LEU 11 11.529 -13.952 -2.946 83 HD22 LEU 11 1HD2 LEU 11 12.787 -15.173 -3.128 84 HD23 LEU 11 2HD2 LEU 11 11.140 -15.514 -3.661 85 H ASP 12 H ASP 12 15.222 -14.743 -7.522 86 HA ASP 12 HA ASP 12 17.629 -13.853 -6.315 87 HB2 ASP 12 1HB ASP 12 17.644 -14.311 -8.670 88 HB3 ASP 12 2HB ASP 12 16.334 -13.180 -8.957 89 H LYS 13 H LYS 13 14.741 -12.112 -7.395 90 HA LYS 13 HA LYS 13 15.272 -10.113 -5.308 91 HB2 LYS 13 1HB LYS 13 16.097 -9.314 -7.658 92 HB3 LYS 13 2HB LYS 13 14.367 -9.387 -8.035 93 HG2 LYS 13 1HG LYS 13 13.843 -7.739 -6.385 94 HG3 LYS 13 2HG LYS 13 15.517 -7.696 -5.831 95 HD2 LYS 13 1HD LYS 13 15.056 -5.782 -7.257 96 HD3 LYS 13 2HD LYS 13 16.203 -6.863 -8.042 97 HE2 LYS 13 1HE LYS 13 14.401 -7.798 -9.399 98 HE3 LYS 13 2HE LYS 13 13.240 -6.741 -8.599 99 HZ1 LYS 13 3HZ LYS 13 13.978 -5.899 -10.759 100 HZ2 LYS 13 1HZ LYS 13 15.561 -5.819 -10.185 101 HZ3 LYS 13 2HZ LYS 13 14.365 -4.843 -9.502 102 HA PRO 14 HA PRO 14 11.116 -11.004 -5.005 103 HB2 PRO 14 1HB PRO 14 10.680 -10.096 -2.567 104 HB3 PRO 14 2HB PRO 14 11.879 -11.387 -2.899 105 HG2 PRO 14 1HG PRO 14 12.416 -8.490 -2.428 106 HG3 PRO 14 2HG PRO 14 13.172 -9.902 -1.663 107 HD2 PRO 14 1HD PRO 14 14.165 -8.593 -3.891 108 HD3 PRO 14 2HD PRO 14 14.544 -10.266 -3.434 109 H ILE 15 H ILE 15 9.705 -9.971 -6.092 110 HA ILE 15 HA ILE 15 9.200 -7.107 -5.607 111 HB ILE 15 HB ILE 15 8.439 -8.739 -8.042 112 HG12 ILE 15 1HG1 ILE 15 10.652 -6.676 -7.819 113 HG13 ILE 15 2HG1 ILE 15 10.895 -8.407 -7.975 114 HG21 ILE 15 1HG2 ILE 15 8.276 -5.763 -7.550 115 HG22 ILE 15 2HG2 ILE 15 6.916 -6.882 -7.585 116 HG23 ILE 15 3HG2 ILE 15 7.838 -6.567 -9.055 117 HD11 ILE 15 3HD1 ILE 15 9.670 -6.576 -10.033 118 HD12 ILE 15 1HD1 ILE 15 9.874 -8.320 -10.210 119 HD13 ILE 15 2HD1 ILE 15 11.290 -7.270 -10.076 120 H GLN 16 H GLN 16 7.696 -6.729 -4.559 121 HA GLN 16 HA GLN 16 5.569 -8.650 -4.339 122 HB2 GLN 16 1HB GLN 16 5.859 -8.028 -1.781 123 HB3 GLN 16 2HB GLN 16 6.544 -9.493 -2.491 124 HG2 GLN 16 1HG GLN 16 8.185 -8.492 -1.052 125 HG3 GLN 16 2HG GLN 16 8.701 -8.157 -2.696 126 HE21 GLN 16 2HE2 GLN 16 8.938 -5.977 -3.333 127 HE22 GLN 16 1HE2 GLN 16 8.632 -4.689 -2.242 128 H TYR 17 H TYR 17 3.827 -7.655 -4.822 129 HA TYR 17 HA TYR 17 3.158 -5.111 -3.555 130 HB2 TYR 17 1HB TYR 17 2.911 -5.789 -6.500 131 HB3 TYR 17 2HB TYR 17 1.990 -4.504 -5.746 132 HD1 TYR 17 HD2 TYR 17 5.547 -5.616 -6.226 133 HD2 TYR 17 HD1 TYR 17 2.854 -2.346 -5.805 134 HE1 TYR 17 HE2 TYR 17 7.369 -4.054 -6.701 135 HE2 TYR 17 HE1 TYR 17 4.686 -0.777 -6.284 136 HH TYR 17 HH TYR 17 7.234 -0.824 -6.078 137 H ARG 18 H ARG 18 1.002 -4.888 -3.117 138 HA ARG 18 HA ARG 18 -0.884 -6.911 -3.999 139 HB2 ARG 18 1HB ARG 18 -1.718 -7.409 -1.772 140 HB3 ARG 18 2HB ARG 18 -0.001 -7.767 -1.817 141 HG2 ARG 18 1HG ARG 18 0.511 -5.783 -0.571 142 HG3 ARG 18 2HG ARG 18 -1.161 -5.227 -0.689 143 HD2 ARG 18 1HD ARG 18 -1.864 -7.269 0.543 144 HD3 ARG 18 2HD ARG 18 -0.165 -7.673 0.751 145 HE ARG 18 HE ARG 18 0.075 -5.942 2.249 146 HH11 ARG 18 1HH1 ARG 18 -3.247 -5.952 0.957 147 HH12 ARG 18 2HH1 ARG 18 -3.898 -5.112 2.276 148 HH21 ARG 18 1HH2 ARG 18 -0.898 -4.780 4.114 149 HH22 ARG 18 2HH2 ARG 18 -2.551 -4.435 4.065 150 H VAL 19 H VAL 19 -3.140 -6.145 -3.518 151 HA VAL 19 HA VAL 19 -3.158 -3.298 -3.969 152 HB VAL 19 HB VAL 19 -5.562 -3.470 -4.338 153 HG11 VAL 19 1HG1 VAL 19 -3.996 -5.597 -5.774 154 HG12 VAL 19 2HG1 VAL 19 -4.103 -3.892 -6.211 155 HG13 VAL 19 3HG1 VAL 19 -5.531 -4.923 -6.318 156 HG21 VAL 19 3HG2 VAL 19 -6.712 -5.633 -4.299 157 HG22 VAL 19 1HG2 VAL 19 -6.119 -5.191 -2.700 158 HG23 VAL 19 2HG2 VAL 19 -5.254 -6.396 -3.654 159 H CYS 20 H CYS 20 -4.045 -1.754 -2.810 160 HA CYS 20 HA CYS 20 -4.203 -2.160 0.035 161 HB2 CYS 20 1HB CYS 20 -3.149 -0.129 -0.693 162 HB3 CYS 20 2HB CYS 20 -4.525 0.277 -1.713 163 H GLU 21 H GLU 21 -5.984 -1.975 1.297 164 HA GLU 21 HA GLU 21 -8.468 -2.806 0.532 165 HB2 GLU 21 1HB GLU 21 -7.631 -2.818 2.808 166 HB3 GLU 21 2HB GLU 21 -7.628 -1.070 2.833 167 HG2 GLU 21 1HG GLU 21 -10.053 -1.046 2.708 168 HG3 GLU 21 2HG GLU 21 -10.072 -2.812 2.641 169 H LYS 22 H LYS 22 -7.724 0.565 1.491 170 HA LYS 22 HA LYS 22 -10.223 1.515 0.534 171 HB2 LYS 22 1HB LYS 22 -7.763 3.004 1.381 172 HB3 LYS 22 2HB LYS 22 -9.251 3.796 0.907 173 HG2 LYS 22 1HG LYS 22 -10.381 2.487 2.720 174 HG3 LYS 22 2HG LYS 22 -8.770 2.007 3.259 175 HD2 LYS 22 1HD LYS 22 -8.152 4.345 3.575 176 HD3 LYS 22 2HD LYS 22 -9.705 4.847 2.929 177 HE2 LYS 22 1HE LYS 22 -10.819 3.518 4.750 178 HE3 LYS 22 2HE LYS 22 -9.227 3.327 5.478 179 HZ1 LYS 22 3HZ LYS 22 -10.689 5.871 5.026 180 HZ2 LYS 22 1HZ LYS 22 -9.102 5.777 5.626 181 HZ3 LYS 22 2HZ LYS 22 -10.370 5.133 6.496 182 H CYS 23 H CYS 23 -6.963 1.950 -0.668 183 HA CYS 23 HA CYS 23 -7.831 3.654 -2.781 184 HB2 CYS 23 1HB CYS 23 -5.149 2.321 -2.487 185 HB3 CYS 23 2HB CYS 23 -5.526 3.767 -3.413 186 H GLY 24 H GLY 24 -7.284 0.174 -2.563 187 HA2 GLY 24 1HA GLY 24 -7.558 -1.489 -4.104 188 HA3 GLY 24 2HA GLY 24 -8.289 -0.301 -5.181 189 H LYS 25 H LYS 25 -5.314 0.575 -4.027 190 HA LYS 25 HA LYS 25 -4.094 0.296 -6.676 191 HB2 LYS 25 1HB LYS 25 -4.428 2.528 -5.486 192 HB3 LYS 25 2HB LYS 25 -3.262 1.996 -4.308 193 HG2 LYS 25 1HG LYS 25 -2.677 2.419 -7.248 194 HG3 LYS 25 2HG LYS 25 -2.386 3.592 -5.972 195 HD2 LYS 25 1HD LYS 25 -0.874 1.928 -4.898 196 HD3 LYS 25 2HD LYS 25 -1.077 0.908 -6.315 197 HE2 LYS 25 1HE LYS 25 0.079 3.692 -6.281 198 HE3 LYS 25 2HE LYS 25 0.977 2.196 -6.489 199 HZ1 LYS 25 3HZ LYS 25 -1.076 3.236 -8.391 200 HZ2 LYS 25 1HZ LYS 25 -0.190 1.816 -8.580 201 HZ3 LYS 25 2HZ LYS 25 0.568 3.311 -8.608 202 HA PRO 26 HA PRO 26 -1.477 -2.886 -4.818 203 HB2 PRO 26 1HB PRO 26 0.278 -3.076 -6.894 204 HB3 PRO 26 2HB PRO 26 -1.308 -3.855 -6.897 205 HG2 PRO 26 1HG PRO 26 -0.447 -1.295 -8.179 206 HG3 PRO 26 2HG PRO 26 -1.498 -2.572 -8.817 207 HD2 PRO 26 1HD PRO 26 -2.459 -0.269 -7.811 208 HD3 PRO 26 2HD PRO 26 -3.338 -1.805 -7.665 209 H LEU 27 H LEU 27 -0.216 -2.323 -3.272 210 HA LEU 27 HA LEU 27 1.941 -0.389 -3.775 211 HB2 LEU 27 1HB LEU 27 1.982 0.209 -1.471 212 HB3 LEU 27 2HB LEU 27 0.314 0.303 -1.977 213 HG LEU 27 HG LEU 27 1.396 -2.096 -0.474 214 HD11 LEU 27 1HD1 LEU 27 1.798 -0.110 0.857 215 HD12 LEU 27 2HD1 LEU 27 0.506 -1.097 1.545 216 HD13 LEU 27 3HD1 LEU 27 0.114 0.376 0.654 217 HD21 LEU 27 3HD2 LEU 27 -1.373 -0.977 -0.851 218 HD22 LEU 27 1HD2 LEU 27 -0.970 -2.346 0.184 219 HD23 LEU 27 2HD2 LEU 27 -0.745 -2.475 -1.553 220 H ALA 28 H ALA 28 3.957 -0.904 -2.821 221 HA ALA 28 HA ALA 28 4.528 -3.707 -2.904 222 HB1 ALA 28 3HB ALA 28 6.835 -3.002 -2.491 223 HB2 ALA 28 1HB ALA 28 6.282 -1.351 -2.218 224 HB3 ALA 28 2HB ALA 28 6.108 -2.087 -3.814 225 H LEU 29 H LEU 29 5.267 -4.936 -1.168 226 HA LEU 29 HA LEU 29 4.123 -4.206 1.349 227 HB2 LEU 29 1HB LEU 29 5.832 -6.554 0.533 228 HB3 LEU 29 2HB LEU 29 5.422 -6.276 2.210 229 HG LEU 29 HG LEU 29 3.975 -7.962 1.281 230 HD11 LEU 29 1HD1 LEU 29 2.466 -5.407 1.730 231 HD12 LEU 29 2HD1 LEU 29 3.043 -6.522 2.967 232 HD13 LEU 29 3HD1 LEU 29 1.806 -7.040 1.822 233 HD21 LEU 29 3HD2 LEU 29 2.373 -7.482 -0.515 234 HD22 LEU 29 1HD2 LEU 29 4.036 -7.349 -1.086 235 HD23 LEU 29 2HD2 LEU 29 3.106 -5.894 -0.741 236 H THR 30 H THR 30 7.144 -3.686 -0.104 237 HA THR 30 HA THR 30 8.531 -3.025 2.282 238 HB THR 30 HB THR 30 10.051 -1.996 0.399 239 HG1 THR 30 HG1 THR 30 9.133 -2.176 -1.483 240 HG21 THR 30 3HG2 THR 30 10.568 -4.041 1.706 241 HG22 THR 30 1HG2 THR 30 11.015 -4.229 0.011 242 HG23 THR 30 2HG2 THR 30 9.543 -4.978 0.620 243 H ALA 31 H ALA 31 6.022 -1.540 0.694 244 HA ALA 31 HA ALA 31 6.896 1.174 1.434 245 HB1 ALA 31 3HB ALA 31 5.384 1.996 -0.313 246 HB2 ALA 31 1HB ALA 31 4.951 0.338 -0.723 247 HB3 ALA 31 2HB ALA 31 6.593 0.912 -0.991 248 H ILE 32 H ILE 32 5.208 -1.240 2.622 249 HA ILE 32 HA ILE 32 2.553 -0.419 2.841 250 HB ILE 32 HB ILE 32 3.200 -2.726 3.351 251 HG12 ILE 32 1HG1 ILE 32 1.888 -3.094 5.434 252 HG13 ILE 32 2HG1 ILE 32 1.922 -1.363 5.733 253 HG21 ILE 32 1HG2 ILE 32 4.277 -3.349 5.450 254 HG22 ILE 32 2HG2 ILE 32 4.493 -1.642 5.839 255 HG23 ILE 32 3HG2 ILE 32 5.323 -2.340 4.451 256 HD11 ILE 32 3HD1 ILE 32 -0.202 -2.097 4.789 257 HD12 ILE 32 1HD1 ILE 32 0.633 -2.714 3.365 258 HD13 ILE 32 2HD1 ILE 32 0.631 -0.981 3.711 259 H VAL 33 H VAL 33 5.282 0.382 4.928 260 HA VAL 33 HA VAL 33 3.771 1.438 7.048 261 HB VAL 33 HB VAL 33 6.631 2.075 6.246 262 HG11 VAL 33 1HG1 VAL 33 6.931 2.837 8.559 263 HG12 VAL 33 2HG1 VAL 33 5.211 2.582 8.856 264 HG13 VAL 33 3HG1 VAL 33 5.733 3.811 7.703 265 HG21 VAL 33 3HG2 VAL 33 7.238 0.465 7.993 266 HG22 VAL 33 1HG2 VAL 33 6.271 -0.294 6.729 267 HG23 VAL 33 2HG2 VAL 33 5.529 0.124 8.270 268 H ASP 34 H ASP 34 5.601 3.164 4.559 269 HA ASP 34 HA ASP 34 4.701 5.731 5.192 270 HB2 ASP 34 1HB ASP 34 6.688 5.457 3.891 271 HB3 ASP 34 2HB ASP 34 5.811 4.586 2.640 272 H HIS 35 H HIS 35 3.545 3.429 2.724 273 HA HIS 35 HA HIS 35 1.619 5.160 1.663 274 HB2 HIS 35 1HB HIS 35 2.149 3.108 0.406 275 HB3 HIS 35 2HB HIS 35 1.516 2.121 1.718 276 HD1 HIS 35 HD1 HIS 35 0.424 4.073 -1.251 277 HD2 HIS 35 HD2 HIS 35 -1.333 2.164 1.984 278 HE1 HIS 35 HE1 HIS 35 -2.014 4.021 -1.798 279 H LEU 36 H LEU 36 1.235 2.698 4.216 280 HA LEU 36 HA LEU 36 -1.535 3.228 4.435 281 HB2 LEU 36 1HB LEU 36 -0.093 1.158 5.152 282 HB3 LEU 36 2HB LEU 36 0.097 2.033 6.651 283 HG LEU 36 HG LEU 36 -1.616 0.264 6.688 284 HD11 LEU 36 1HD1 LEU 36 -3.404 1.547 7.796 285 HD12 LEU 36 2HD1 LEU 36 -2.708 3.035 7.148 286 HD13 LEU 36 3HD1 LEU 36 -1.792 2.066 8.303 287 HD21 LEU 36 3HD2 LEU 36 -3.754 0.570 5.592 288 HD22 LEU 36 1HD2 LEU 36 -2.443 0.458 4.426 289 HD23 LEU 36 2HD2 LEU 36 -3.167 2.028 4.802 290 H GLU 37 H GLU 37 1.302 4.660 5.890 291 HA GLU 37 HA GLU 37 -0.135 6.090 7.905 292 HB2 GLU 37 1HB GLU 37 2.270 5.496 8.071 293 HB3 GLU 37 2HB GLU 37 2.608 6.602 6.755 294 HG2 GLU 37 1HG GLU 37 3.179 7.633 8.856 295 HG3 GLU 37 2HG GLU 37 1.807 8.472 8.137 296 H ASN 38 H ASN 38 0.572 6.735 4.440 297 HA ASN 38 HA ASN 38 0.001 9.552 4.897 298 HB2 ASN 38 1HB ASN 38 2.115 8.912 3.733 299 HB3 ASN 38 2HB ASN 38 1.161 8.131 2.493 300 HD21 ASN 38 2HD2 ASN 38 3.113 10.262 2.284 301 HD22 ASN 38 1HD2 ASN 38 2.311 11.590 1.529 302 H HIS 39 H HIS 39 -1.213 6.699 3.548 303 HA HIS 39 HA HIS 39 -2.244 7.641 1.410 304 HB2 HIS 39 1HB HIS 39 -3.359 5.646 0.961 305 HB3 HIS 39 2HB HIS 39 -1.995 5.378 2.044 306 HD2 HIS 39 HD2 HIS 39 -3.855 5.885 4.862 307 HE1 HIS 39 HE1 HIS 39 -5.829 2.408 3.433 308 HE2 HIS 39 HE2 HIS 39 -5.528 4.006 5.366 309 H CYS 40 H CYS 40 -3.836 8.719 0.628 310 HA CYS 40 HA CYS 40 -5.402 10.328 2.290 311 HB2 CYS 40 1HB CYS 40 -4.610 11.108 0.144 312 HB3 CYS 40 2HB CYS 40 -5.503 9.836 -0.679 313 HG CYS 40 HG CYS 40 -7.932 11.085 0.676 314 H ALA 41 H ALA 41 -7.174 9.843 3.265 315 HA ALA 41 HA ALA 41 -8.817 7.622 2.577 316 HB1 ALA 41 3HB ALA 41 -10.373 8.564 4.251 317 HB2 ALA 41 1HB ALA 41 -9.364 10.004 4.362 318 HB3 ALA 41 2HB ALA 41 -8.732 8.440 4.879 319 H GLY 42 H GLY 42 -10.985 7.802 1.739 320 HA2 GLY 42 1HA GLY 42 -12.613 8.760 0.392 321 HA3 GLY 42 2HA GLY 42 -11.681 10.258 0.366 322 H ALA 43 H ALA 43 -9.957 7.419 -0.251 323 HA ALA 43 HA ALA 43 -9.398 8.199 -2.940 324 HB1 ALA 43 3HB ALA 43 -7.939 6.215 -2.972 325 HB2 ALA 43 1HB ALA 43 -8.592 5.716 -1.414 326 HB3 ALA 43 2HB ALA 43 -7.648 7.201 -1.538 327 H SER 44 H SER 44 -10.696 7.755 -4.533 328 HA SER 44 HA SER 44 -12.626 5.612 -4.266 329 HB2 SER 44 1HB SER 44 -12.388 7.786 -6.361 330 HB3 SER 44 2HB SER 44 -13.763 6.705 -6.116 331 HG SER 44 HG SER 44 -12.768 8.539 -4.189 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 24.953 -44.064 -4.486 2 H2 ASN 1 2H ASN 1 24.965 -42.405 -4.838 3 H3 ASN 1 3H ASN 1 23.535 -43.139 -4.422 4 HA ASN 1 HA ASN 1 24.334 -43.541 -2.194 5 HB2 ASN 1 1HB ASN 1 26.805 -42.077 -3.201 6 HB3 ASN 1 2HB ASN 1 26.476 -42.411 -1.507 7 HD21 ASN 1 2HD2 ASN 1 28.330 -43.656 -1.272 8 HD22 ASN 1 1HD2 ASN 1 28.448 -45.227 -1.954 9 HA PRO 2 HA PRO 2 22.391 -39.685 -1.502 10 HB2 PRO 2 1HB PRO 2 22.951 -39.126 1.101 11 HB3 PRO 2 2HB PRO 2 21.794 -40.366 0.598 12 HG2 PRO 2 1HG PRO 2 24.635 -40.677 1.469 13 HG3 PRO 2 2HG PRO 2 23.229 -41.671 1.880 14 HD2 PRO 2 1HD PRO 2 25.035 -42.401 0.001 15 HD3 PRO 2 2HD PRO 2 23.321 -42.849 -0.099 16 H ASN 3 H ASN 3 23.667 -38.524 -2.919 17 HA ASN 3 HA ASN 3 25.512 -36.628 -1.620 18 HB2 ASN 3 1HB ASN 3 25.501 -37.408 -4.560 19 HB3 ASN 3 2HB ASN 3 26.614 -36.302 -3.787 20 HD21 ASN 3 2HD2 ASN 3 26.940 -38.154 -1.458 21 HD22 ASN 3 1HD2 ASN 3 27.935 -39.418 -2.039 22 H ALA 4 H ALA 4 23.901 -35.149 -1.157 23 HA ALA 4 HA ALA 4 22.668 -33.911 -3.465 24 HB1 ALA 4 3HB ALA 4 20.449 -33.983 -2.485 25 HB2 ALA 4 1HB ALA 4 21.064 -34.923 -1.126 26 HB3 ALA 4 2HB ALA 4 21.067 -35.614 -2.746 27 H GLN 5 H GLN 5 22.610 -31.817 -3.257 28 HA GLN 5 HA GLN 5 22.593 -30.565 -0.613 29 HB2 GLN 5 1HB GLN 5 24.314 -29.805 -2.989 30 HB3 GLN 5 2HB GLN 5 24.088 -28.789 -1.577 31 HG2 GLN 5 1HG GLN 5 25.156 -30.482 -0.188 32 HG3 GLN 5 2HG GLN 5 25.347 -31.522 -1.598 33 HE21 GLN 5 2HE2 GLN 5 27.320 -30.325 0.199 34 HE22 GLN 5 1HE2 GLN 5 28.398 -29.446 -0.822 35 H LEU 6 H LEU 6 20.662 -29.542 -0.577 36 HA LEU 6 HA LEU 6 19.436 -28.762 -3.064 37 HB2 LEU 6 1HB LEU 6 18.106 -29.692 -1.173 38 HB3 LEU 6 2HB LEU 6 18.537 -28.294 -0.213 39 HG LEU 6 HG LEU 6 17.340 -26.853 -1.851 40 HD11 LEU 6 1HD1 LEU 6 16.443 -29.483 -3.015 41 HD12 LEU 6 2HD1 LEU 6 17.464 -28.279 -3.807 42 HD13 LEU 6 3HD1 LEU 6 15.789 -27.896 -3.421 43 HD21 LEU 6 3HD2 LEU 6 16.264 -27.571 0.207 44 HD22 LEU 6 1HD2 LEU 6 15.712 -29.048 -0.584 45 HD23 LEU 6 2HD2 LEU 6 15.097 -27.484 -1.115 46 H ILE 7 H ILE 7 19.961 -26.928 -3.986 47 HA ILE 7 HA ILE 7 21.263 -24.911 -2.391 48 HB ILE 7 HB ILE 7 22.477 -25.457 -4.378 49 HG12 ILE 7 1HG1 ILE 7 21.136 -22.770 -4.820 50 HG13 ILE 7 2HG1 ILE 7 22.493 -23.066 -3.746 51 HG21 ILE 7 1HG2 ILE 7 20.750 -26.442 -5.730 52 HG22 ILE 7 2HG2 ILE 7 21.604 -25.210 -6.659 53 HG23 ILE 7 3HG2 ILE 7 20.011 -24.861 -5.994 54 HD11 ILE 7 3HD1 ILE 7 23.224 -22.049 -5.829 55 HD12 ILE 7 1HD1 ILE 7 22.500 -23.372 -6.742 56 HD13 ILE 7 2HD1 ILE 7 23.872 -23.681 -5.683 57 H GLU 8 H GLU 8 19.830 -23.852 -1.291 58 HA GLU 8 HA GLU 8 17.563 -22.647 -2.671 59 HB2 GLU 8 1HB GLU 8 18.238 -22.985 0.252 60 HB3 GLU 8 2HB GLU 8 16.928 -21.961 -0.305 61 HG2 GLU 8 1HG GLU 8 17.141 -24.883 -0.961 62 HG3 GLU 8 2HG GLU 8 16.271 -24.262 0.443 63 H ASP 9 H ASP 9 17.974 -20.805 -3.525 64 HA ASP 9 HA ASP 9 20.102 -19.087 -2.648 65 HB2 ASP 9 1HB ASP 9 17.942 -18.721 -4.744 66 HB3 ASP 9 2HB ASP 9 19.157 -17.511 -4.376 67 HA PRO 10 HA PRO 10 17.324 -17.206 0.332 68 HB2 PRO 10 1HB PRO 10 19.476 -15.193 0.573 69 HB3 PRO 10 2HB PRO 10 18.770 -16.224 1.820 70 HG2 PRO 10 1HG PRO 10 21.244 -16.651 0.890 71 HG3 PRO 10 2HG PRO 10 20.178 -17.995 1.340 72 HD2 PRO 10 1HD PRO 10 20.849 -16.946 -1.381 73 HD3 PRO 10 2HD PRO 10 20.660 -18.621 -0.809 74 H LEU 11 H LEU 11 15.710 -15.924 -0.327 75 HA LEU 11 HA LEU 11 16.159 -14.014 -2.443 76 HB2 LEU 11 1HB LEU 11 14.124 -15.512 -2.288 77 HB3 LEU 11 2HB LEU 11 13.636 -14.606 -0.874 78 HG LEU 11 HG LEU 11 13.364 -12.585 -2.260 79 HD11 LEU 11 1HD1 LEU 11 14.045 -14.419 -4.563 80 HD12 LEU 11 2HD1 LEU 11 15.048 -13.093 -3.980 81 HD13 LEU 11 3HD1 LEU 11 13.479 -12.755 -4.701 82 HD21 LEU 11 3HD2 LEU 11 11.939 -15.005 -3.356 83 HD22 LEU 11 1HD2 LEU 11 11.397 -13.334 -3.496 84 HD23 LEU 11 2HD2 LEU 11 11.467 -14.115 -1.913 85 H ASP 12 H ASP 12 16.996 -12.111 -1.901 86 HA ASP 12 HA ASP 12 17.305 -11.286 0.772 87 HB2 ASP 12 1HB ASP 12 18.921 -10.659 -0.939 88 HB3 ASP 12 2HB ASP 12 17.708 -9.683 -1.754 89 H LYS 13 H LYS 13 15.450 -9.727 -1.803 90 HA LYS 13 HA LYS 13 13.461 -8.997 0.247 91 HB2 LYS 13 1HB LYS 13 14.433 -7.180 -1.943 92 HB3 LYS 13 2HB LYS 13 12.991 -6.920 -0.976 93 HG2 LYS 13 1HG LYS 13 14.516 -6.895 1.032 94 HG3 LYS 13 2HG LYS 13 15.873 -6.851 -0.099 95 HD2 LYS 13 1HD LYS 13 15.418 -4.569 0.493 96 HD3 LYS 13 2HD LYS 13 14.768 -4.836 -1.133 97 HE2 LYS 13 1HE LYS 13 12.529 -5.033 -0.286 98 HE3 LYS 13 2HE LYS 13 13.096 -4.994 1.380 99 HZ1 LYS 13 3HZ LYS 13 13.859 -2.717 0.999 100 HZ2 LYS 13 1HZ LYS 13 12.208 -2.863 0.713 101 HZ3 LYS 13 2HZ LYS 13 13.275 -2.775 -0.582 102 HA PRO 14 HA PRO 14 10.951 -11.097 -2.651 103 HB2 PRO 14 1HB PRO 14 9.489 -10.744 -0.103 104 HB3 PRO 14 2HB PRO 14 9.490 -12.208 -1.150 105 HG2 PRO 14 1HG PRO 14 10.774 -12.224 1.129 106 HG3 PRO 14 2HG PRO 14 11.655 -12.780 -0.310 107 HD2 PRO 14 1HD PRO 14 11.773 -10.136 1.070 108 HD3 PRO 14 2HD PRO 14 13.101 -11.141 0.445 109 H ILE 15 H ILE 15 9.864 -9.626 -3.870 110 HA ILE 15 HA ILE 15 8.546 -7.491 -2.434 111 HB ILE 15 HB ILE 15 8.786 -6.099 -4.594 112 HG12 ILE 15 1HG1 ILE 15 11.071 -8.056 -4.964 113 HG13 ILE 15 2HG1 ILE 15 9.690 -7.875 -6.049 114 HG21 ILE 15 1HG2 ILE 15 9.804 -5.493 -2.499 115 HG22 ILE 15 2HG2 ILE 15 10.940 -5.206 -3.817 116 HG23 ILE 15 3HG2 ILE 15 11.134 -6.619 -2.780 117 HD11 ILE 15 3HD1 ILE 15 11.824 -5.820 -5.488 118 HD12 ILE 15 1HD1 ILE 15 10.447 -5.594 -6.572 119 HD13 ILE 15 2HD1 ILE 15 11.679 -6.801 -6.946 120 H GLN 16 H GLN 16 6.703 -8.177 -2.206 121 HA GLN 16 HA GLN 16 5.148 -9.086 -4.486 122 HB2 GLN 16 1HB GLN 16 4.529 -9.134 -1.520 123 HB3 GLN 16 2HB GLN 16 3.539 -9.834 -2.793 124 HG2 GLN 16 1HG GLN 16 6.348 -10.696 -2.144 125 HG3 GLN 16 2HG GLN 16 4.880 -11.530 -1.626 126 HE21 GLN 16 2HE2 GLN 16 6.895 -10.712 -4.341 127 HE22 GLN 16 1HE2 GLN 16 6.253 -11.838 -5.447 128 H TYR 17 H TYR 17 3.067 -8.143 -4.815 129 HA TYR 17 HA TYR 17 3.131 -5.318 -4.114 130 HB2 TYR 17 1HB TYR 17 1.978 -6.658 -6.574 131 HB3 TYR 17 2HB TYR 17 1.939 -4.919 -6.238 132 HD1 TYR 17 HD2 TYR 17 4.017 -3.614 -6.209 133 HD2 TYR 17 HD1 TYR 17 4.026 -7.726 -7.286 134 HE1 TYR 17 HE2 TYR 17 6.307 -3.377 -7.066 135 HE2 TYR 17 HE1 TYR 17 6.314 -7.520 -8.122 136 HH TYR 17 HH TYR 17 8.222 -4.851 -7.379 137 H ARG 18 H ARG 18 1.756 -4.678 -2.824 138 HA ARG 18 HA ARG 18 -0.536 -6.361 -2.161 139 HB2 ARG 18 1HB ARG 18 1.053 -5.916 -0.352 140 HB3 ARG 18 2HB ARG 18 0.921 -4.199 -0.640 141 HG2 ARG 18 1HG ARG 18 -0.318 -4.879 1.342 142 HG3 ARG 18 2HG ARG 18 -1.381 -4.205 0.109 143 HD2 ARG 18 1HD ARG 18 -2.059 -6.458 -0.552 144 HD3 ARG 18 2HD ARG 18 -0.964 -7.160 0.643 145 HE ARG 18 HE ARG 18 -2.363 -5.827 2.280 146 HH11 ARG 18 1HH1 ARG 18 -3.702 -7.383 -0.616 147 HH12 ARG 18 2HH1 ARG 18 -5.293 -7.471 -0.009 148 HH21 ARG 18 1HH2 ARG 18 -4.577 -6.027 3.146 149 HH22 ARG 18 2HH2 ARG 18 -5.773 -6.691 2.181 150 H VAL 19 H VAL 19 -2.457 -5.657 -2.846 151 HA VAL 19 HA VAL 19 -2.763 -2.929 -3.680 152 HB VAL 19 HB VAL 19 -5.135 -3.490 -4.125 153 HG11 VAL 19 1HG1 VAL 19 -3.198 -5.484 -5.268 154 HG12 VAL 19 2HG1 VAL 19 -3.517 -3.858 -5.872 155 HG13 VAL 19 3HG1 VAL 19 -4.780 -5.084 -5.946 156 HG21 VAL 19 3HG2 VAL 19 -5.500 -5.122 -2.352 157 HG22 VAL 19 1HG2 VAL 19 -4.421 -6.262 -3.161 158 HG23 VAL 19 2HG2 VAL 19 -5.949 -5.785 -3.921 159 H CYS 20 H CYS 20 -3.401 -1.357 -2.533 160 HA CYS 20 HA CYS 20 -3.699 -1.588 0.229 161 HB2 CYS 20 1HB CYS 20 -2.971 0.481 -0.644 162 HB3 CYS 20 2HB CYS 20 -4.419 0.633 -1.641 163 H GLU 21 H GLU 21 -5.387 -1.969 1.471 164 HA GLU 21 HA GLU 21 -7.789 -2.997 0.587 165 HB2 GLU 21 1HB GLU 21 -6.817 -3.423 2.776 166 HB3 GLU 21 2HB GLU 21 -7.049 -1.750 3.233 167 HG2 GLU 21 1HG GLU 21 -9.455 -2.056 3.153 168 HG3 GLU 21 2HG GLU 21 -9.237 -3.733 2.653 169 H LYS 22 H LYS 22 -6.987 0.328 1.457 170 HA LYS 22 HA LYS 22 -9.734 1.238 1.252 171 HB2 LYS 22 1HB LYS 22 -8.123 2.274 2.824 172 HB3 LYS 22 2HB LYS 22 -7.191 2.849 1.447 173 HG2 LYS 22 1HG LYS 22 -9.269 4.086 0.712 174 HG3 LYS 22 2HG LYS 22 -9.950 3.686 2.287 175 HD2 LYS 22 1HD LYS 22 -7.919 4.856 3.333 176 HD3 LYS 22 2HD LYS 22 -7.490 5.298 1.709 177 HE2 LYS 22 1HE LYS 22 -8.671 7.112 2.850 178 HE3 LYS 22 2HE LYS 22 -9.490 6.562 1.392 179 HZ1 LYS 22 3HZ LYS 22 -11.030 5.316 2.784 180 HZ2 LYS 22 1HZ LYS 22 -11.026 6.951 3.179 181 HZ3 LYS 22 2HZ LYS 22 -10.246 5.849 4.183 182 H CYS 23 H CYS 23 -6.769 1.621 -0.639 183 HA CYS 23 HA CYS 23 -8.152 3.343 -2.526 184 HB2 CYS 23 1HB CYS 23 -5.254 2.518 -2.503 185 HB3 CYS 23 2HB CYS 23 -5.961 3.808 -3.461 186 H GLY 24 H GLY 24 -7.280 -0.032 -2.420 187 HA2 GLY 24 1HA GLY 24 -7.246 -1.698 -4.000 188 HA3 GLY 24 2HA GLY 24 -8.317 -0.694 -4.968 189 H LYS 25 H LYS 25 -5.149 0.082 -3.862 190 HA LYS 25 HA LYS 25 -4.182 0.439 -6.622 191 HB2 LYS 25 1HB LYS 25 -4.753 2.442 -5.076 192 HB3 LYS 25 2HB LYS 25 -3.359 1.965 -4.144 193 HG2 LYS 25 1HG LYS 25 -3.277 2.792 -7.039 194 HG3 LYS 25 2HG LYS 25 -3.010 3.880 -5.687 195 HD2 LYS 25 1HD LYS 25 -1.085 2.418 -5.021 196 HD3 LYS 25 2HD LYS 25 -1.320 1.533 -6.534 197 HE2 LYS 25 1HE LYS 25 -0.737 4.488 -6.276 198 HE3 LYS 25 2HE LYS 25 0.412 3.256 -6.775 199 HZ1 LYS 25 3HZ LYS 25 -0.649 4.575 -8.579 200 HZ2 LYS 25 1HZ LYS 25 -2.103 3.826 -8.257 201 HZ3 LYS 25 2HZ LYS 25 -0.781 2.920 -8.799 202 HA PRO 26 HA PRO 26 -1.216 -2.527 -4.799 203 HB2 PRO 26 1HB PRO 26 -0.003 -3.018 -7.293 204 HB3 PRO 26 2HB PRO 26 -1.249 -3.981 -6.514 205 HG2 PRO 26 1HG PRO 26 -1.555 -2.477 -8.874 206 HG3 PRO 26 2HG PRO 26 -2.845 -3.212 -7.919 207 HD2 PRO 26 1HD PRO 26 -1.944 -0.387 -8.008 208 HD3 PRO 26 2HD PRO 26 -3.541 -1.082 -7.642 209 H LEU 27 H LEU 27 0.669 -2.273 -3.949 210 HA LEU 27 HA LEU 27 2.779 -0.811 -5.281 211 HB2 LEU 27 1HB LEU 27 3.307 0.520 -3.308 212 HB3 LEU 27 2HB LEU 27 1.716 0.918 -3.910 213 HG LEU 27 HG LEU 27 2.059 -0.980 -1.595 214 HD11 LEU 27 1HD1 LEU 27 1.698 0.971 -0.162 215 HD12 LEU 27 2HD1 LEU 27 1.953 2.020 -1.563 216 HD13 LEU 27 3HD1 LEU 27 3.261 0.986 -0.973 217 HD21 LEU 27 3HD2 LEU 27 -0.160 -0.839 -2.637 218 HD22 LEU 27 1HD2 LEU 27 -0.161 0.909 -2.396 219 HD23 LEU 27 2HD2 LEU 27 -0.171 -0.175 -1.004 220 H ALA 28 H ALA 28 4.834 -1.072 -3.875 221 HA ALA 28 HA ALA 28 5.095 -3.877 -3.388 222 HB1 ALA 28 3HB ALA 28 7.442 -3.394 -2.954 223 HB2 ALA 28 1HB ALA 28 7.097 -1.663 -2.924 224 HB3 ALA 28 2HB ALA 28 6.904 -2.573 -4.421 225 H LEU 29 H LEU 29 5.224 -4.928 -1.520 226 HA LEU 29 HA LEU 29 3.973 -3.968 0.780 227 HB2 LEU 29 1HB LEU 29 4.410 -6.038 1.796 228 HB3 LEU 29 2HB LEU 29 4.251 -6.379 0.092 229 HG LEU 29 HG LEU 29 6.791 -6.352 1.729 230 HD11 LEU 29 1HD1 LEU 29 5.376 -8.578 0.305 231 HD12 LEU 29 2HD1 LEU 29 5.412 -8.303 2.041 232 HD13 LEU 29 3HD1 LEU 29 6.900 -8.713 1.184 233 HD21 LEU 29 3HD2 LEU 29 6.477 -6.803 -1.240 234 HD22 LEU 29 1HD2 LEU 29 7.951 -7.135 -0.316 235 HD23 LEU 29 2HD2 LEU 29 7.349 -5.486 -0.457 236 H THR 30 H THR 30 7.149 -3.387 -0.154 237 HA THR 30 HA THR 30 8.277 -3.195 2.485 238 HB THR 30 HB THR 30 9.634 -3.951 0.529 239 HG1 THR 30 HG1 THR 30 10.394 -2.338 2.409 240 HG21 THR 30 3HG2 THR 30 9.382 -1.090 -0.401 241 HG22 THR 30 1HG2 THR 30 8.675 -2.501 -1.189 242 HG23 THR 30 2HG2 THR 30 10.427 -2.317 -1.119 243 H ALA 31 H ALA 31 6.315 -1.205 0.602 244 HA ALA 31 HA ALA 31 7.094 1.136 2.205 245 HB1 ALA 31 3HB ALA 31 6.191 1.165 -0.677 246 HB2 ALA 31 1HB ALA 31 7.839 1.450 -0.117 247 HB3 ALA 31 2HB ALA 31 6.555 2.585 0.302 248 H ILE 32 H ILE 32 4.882 -1.118 1.983 249 HA ILE 32 HA ILE 32 2.479 0.249 1.451 250 HB ILE 32 HB ILE 32 2.832 -2.266 1.349 251 HG12 ILE 32 1HG1 ILE 32 0.520 -1.236 1.208 252 HG13 ILE 32 2HG1 ILE 32 0.546 -2.897 1.749 253 HG21 ILE 32 1HG2 ILE 32 2.445 -2.164 4.318 254 HG22 ILE 32 2HG2 ILE 32 3.884 -2.690 3.440 255 HG23 ILE 32 3HG2 ILE 32 2.397 -3.630 3.342 256 HD11 ILE 32 3HD1 ILE 32 -1.099 -1.573 2.955 257 HD12 ILE 32 1HD1 ILE 32 0.165 -0.466 3.493 258 HD13 ILE 32 2HD1 ILE 32 0.165 -2.138 4.050 259 H VAL 33 H VAL 33 4.276 -0.203 4.398 260 HA VAL 33 HA VAL 33 2.276 0.648 6.205 261 HB VAL 33 HB VAL 33 5.272 0.963 6.561 262 HG11 VAL 33 1HG1 VAL 33 4.789 0.812 8.948 263 HG12 VAL 33 2HG1 VAL 33 3.069 0.674 8.600 264 HG13 VAL 33 3HG1 VAL 33 3.924 2.167 8.216 265 HG21 VAL 33 3HG2 VAL 33 4.771 -1.334 5.954 266 HG22 VAL 33 1HG2 VAL 33 3.522 -1.412 7.195 267 HG23 VAL 33 2HG2 VAL 33 5.214 -1.244 7.658 268 H ASP 34 H ASP 34 4.904 2.404 4.601 269 HA ASP 34 HA ASP 34 4.443 4.974 5.637 270 HB2 ASP 34 1HB ASP 34 6.478 4.471 4.380 271 HB3 ASP 34 2HB ASP 34 5.536 4.160 2.933 272 H HIS 35 H HIS 35 3.304 3.459 2.672 273 HA HIS 35 HA HIS 35 1.643 5.484 1.784 274 HB2 HIS 35 1HB HIS 35 2.011 3.628 0.297 275 HB3 HIS 35 2HB HIS 35 1.377 2.480 1.471 276 HD1 HIS 35 HD1 HIS 35 0.310 4.673 -1.321 277 HD2 HIS 35 HD2 HIS 35 -1.442 2.566 1.758 278 HE1 HIS 35 HE1 HIS 35 -2.148 4.663 -1.869 279 H LEU 36 H LEU 36 0.758 2.723 3.886 280 HA LEU 36 HA LEU 36 -1.928 3.474 4.148 281 HB2 LEU 36 1HB LEU 36 -0.833 1.243 4.689 282 HB3 LEU 36 2HB LEU 36 -0.309 1.951 6.194 283 HG LEU 36 HG LEU 36 -3.232 1.690 5.444 284 HD11 LEU 36 1HD1 LEU 36 -1.494 -0.191 7.023 285 HD12 LEU 36 2HD1 LEU 36 -2.226 -0.508 5.446 286 HD13 LEU 36 3HD1 LEU 36 -3.247 -0.289 6.869 287 HD21 LEU 36 3HD2 LEU 36 -2.734 3.285 7.253 288 HD22 LEU 36 1HD2 LEU 36 -1.867 2.020 8.124 289 HD23 LEU 36 2HD2 LEU 36 -3.605 1.875 7.849 290 H GLU 37 H GLU 37 0.902 4.429 5.963 291 HA GLU 37 HA GLU 37 -0.436 5.761 8.029 292 HB2 GLU 37 1HB GLU 37 1.898 5.051 8.160 293 HB3 GLU 37 2HB GLU 37 2.330 6.185 6.899 294 HG2 GLU 37 1HG GLU 37 2.965 6.995 9.112 295 HG3 GLU 37 2HG GLU 37 1.777 8.048 8.352 296 H ASN 38 H ASN 38 0.552 6.921 4.736 297 HA ASN 38 HA ASN 38 -0.616 9.503 5.575 298 HB2 ASN 38 1HB ASN 38 1.794 9.722 5.297 299 HB3 ASN 38 2HB ASN 38 1.711 8.969 3.722 300 HD21 ASN 38 2HD2 ASN 38 1.227 10.214 1.975 301 HD22 ASN 38 1HD2 ASN 38 1.063 11.922 2.000 302 H HIS 39 H HIS 39 -1.510 7.025 3.949 303 HA HIS 39 HA HIS 39 -1.766 7.809 1.428 304 HB2 HIS 39 1HB HIS 39 -3.165 5.976 0.893 305 HB3 HIS 39 2HB HIS 39 -1.927 5.599 2.085 306 HD2 HIS 39 HD2 HIS 39 -3.953 6.499 4.689 307 HE1 HIS 39 HE1 HIS 39 -6.012 3.052 3.354 308 HE2 HIS 39 HE2 HIS 39 -5.948 4.915 4.993 309 H CYS 40 H CYS 40 -2.762 9.171 0.318 310 HA CYS 40 HA CYS 40 -5.345 10.194 1.190 311 HB2 CYS 40 1HB CYS 40 -3.338 11.299 -0.789 312 HB3 CYS 40 2HB CYS 40 -4.775 12.127 -0.186 313 HG CYS 40 HG CYS 40 -2.346 11.114 1.952 314 H ALA 41 H ALA 41 -6.934 9.144 0.165 315 HA ALA 41 HA ALA 41 -6.511 7.348 -1.956 316 HB1 ALA 41 3HB ALA 41 -8.912 7.002 -1.936 317 HB2 ALA 41 1HB ALA 41 -9.130 8.448 -0.947 318 HB3 ALA 41 2HB ALA 41 -8.278 7.050 -0.292 319 H GLY 42 H GLY 42 -6.852 7.449 -4.068 320 HA2 GLY 42 1HA GLY 42 -7.858 8.474 -5.999 321 HA3 GLY 42 2HA GLY 42 -7.742 10.024 -5.171 322 H ALA 43 H ALA 43 -5.094 7.996 -4.712 323 HA ALA 43 HA ALA 43 -3.459 9.727 -6.369 324 HB1 ALA 43 3HB ALA 43 -2.680 7.614 -4.352 325 HB2 ALA 43 1HB ALA 43 -2.762 9.350 -4.044 326 HB3 ALA 43 2HB ALA 43 -1.568 8.713 -5.173 327 H SER 44 H SER 44 -2.592 9.064 -8.240 328 HA SER 44 HA SER 44 -2.895 6.242 -8.916 329 HB2 SER 44 1HB SER 44 -2.808 8.653 -10.751 330 HB3 SER 44 2HB SER 44 -3.078 6.974 -11.242 331 HG SER 44 HG SER 44 -4.705 7.935 -9.245 Start of MODEL 11 1 H1 ASN 1 1H ASN 1 10.550 -27.083 -0.514 2 H2 ASN 1 2H ASN 1 11.913 -26.770 -1.459 3 H3 ASN 1 3H ASN 1 11.781 -26.045 0.045 4 HA ASN 1 HA ASN 1 13.322 -27.879 0.056 5 HB2 ASN 1 1HB ASN 1 10.752 -28.384 1.572 6 HB3 ASN 1 2HB ASN 1 12.221 -29.310 1.829 7 HD21 ASN 1 2HD2 ASN 1 13.958 -28.346 2.874 8 HD22 ASN 1 1HD2 ASN 1 13.792 -26.865 3.729 9 HA PRO 2 HA PRO 2 12.322 -31.161 -2.701 10 HB2 PRO 2 1HB PRO 2 14.322 -32.872 -2.055 11 HB3 PRO 2 2HB PRO 2 14.587 -31.403 -3.002 12 HG2 PRO 2 1HG PRO 2 15.102 -31.897 -0.105 13 HG3 PRO 2 2HG PRO 2 16.087 -31.015 -1.286 14 HD2 PRO 2 1HD PRO 2 14.440 -29.795 0.518 15 HD3 PRO 2 2HD PRO 2 14.851 -29.094 -1.057 16 H ASN 3 H ASN 3 10.532 -32.132 -2.189 17 HA ASN 3 HA ASN 3 10.055 -33.481 0.271 18 HB2 ASN 3 1HB ASN 3 8.210 -32.544 -1.049 19 HB3 ASN 3 2HB ASN 3 8.572 -33.656 -2.362 20 HD21 ASN 3 2HD2 ASN 3 6.575 -34.613 -2.323 21 HD22 ASN 3 1HD2 ASN 3 6.043 -35.639 -1.040 22 H ALA 4 H ALA 4 10.424 -34.670 -3.030 23 HA ALA 4 HA ALA 4 11.942 -36.940 -2.040 24 HB1 ALA 4 3HB ALA 4 10.601 -38.551 -3.321 25 HB2 ALA 4 1HB ALA 4 9.493 -37.260 -3.789 26 HB3 ALA 4 2HB ALA 4 9.617 -37.741 -2.099 27 H GLN 5 H GLN 5 10.586 -35.197 -4.765 28 HA GLN 5 HA GLN 5 12.986 -35.782 -6.337 29 HB2 GLN 5 1HB GLN 5 10.788 -36.470 -7.312 30 HB3 GLN 5 2HB GLN 5 10.247 -34.806 -7.200 31 HG2 GLN 5 1HG GLN 5 11.990 -34.141 -8.785 32 HG3 GLN 5 2HG GLN 5 12.516 -35.820 -8.896 33 HE21 GLN 5 2HE2 GLN 5 11.208 -37.291 -9.916 34 HE22 GLN 5 1HE2 GLN 5 9.943 -36.834 -10.990 35 H LEU 6 H LEU 6 13.935 -33.943 -7.372 36 HA LEU 6 HA LEU 6 13.724 -31.498 -5.883 37 HB2 LEU 6 1HB LEU 6 15.253 -32.151 -8.412 38 HB3 LEU 6 2HB LEU 6 15.443 -30.693 -7.459 39 HG LEU 6 HG LEU 6 16.117 -33.485 -6.524 40 HD11 LEU 6 1HD1 LEU 6 18.438 -32.745 -6.676 41 HD12 LEU 6 2HD1 LEU 6 17.903 -31.213 -7.370 42 HD13 LEU 6 3HD1 LEU 6 17.643 -32.718 -8.248 43 HD21 LEU 6 3HD2 LEU 6 15.446 -32.070 -4.688 44 HD22 LEU 6 1HD2 LEU 6 16.543 -30.795 -5.224 45 HD23 LEU 6 2HD2 LEU 6 17.191 -32.327 -4.647 46 H ILE 7 H ILE 7 12.138 -30.135 -6.262 47 HA ILE 7 HA ILE 7 10.992 -29.977 -8.964 48 HB ILE 7 HB ILE 7 9.738 -28.984 -6.390 49 HG12 ILE 7 1HG1 ILE 7 9.953 -31.441 -6.234 50 HG13 ILE 7 2HG1 ILE 7 8.272 -30.962 -6.395 51 HG21 ILE 7 1HG2 ILE 7 7.652 -28.956 -7.701 52 HG22 ILE 7 2HG2 ILE 7 8.566 -29.448 -9.125 53 HG23 ILE 7 3HG2 ILE 7 8.894 -27.890 -8.361 54 HD11 ILE 7 3HD1 ILE 7 10.020 -32.058 -8.591 55 HD12 ILE 7 1HD1 ILE 7 8.324 -31.593 -8.748 56 HD13 ILE 7 2HD1 ILE 7 8.775 -32.940 -7.703 57 H GLU 8 H GLU 8 12.273 -28.426 -9.870 58 HA GLU 8 HA GLU 8 12.692 -25.965 -8.350 59 HB2 GLU 8 1HB GLU 8 13.971 -26.867 -10.926 60 HB3 GLU 8 2HB GLU 8 14.331 -25.396 -10.050 61 HG2 GLU 8 1HG GLU 8 15.159 -26.726 -8.176 62 HG3 GLU 8 2HG GLU 8 14.843 -28.197 -9.106 63 H ASP 9 H ASP 9 11.435 -24.310 -8.812 64 HA ASP 9 HA ASP 9 9.895 -24.325 -11.260 65 HB2 ASP 9 1HB ASP 9 8.776 -22.343 -10.354 66 HB3 ASP 9 2HB ASP 9 8.815 -23.592 -9.121 67 HA PRO 10 HA PRO 10 12.780 -22.008 -13.655 68 HB2 PRO 10 1HB PRO 10 10.974 -20.166 -14.777 69 HB3 PRO 10 2HB PRO 10 11.409 -21.735 -15.458 70 HG2 PRO 10 1HG PRO 10 9.040 -20.963 -13.823 71 HG3 PRO 10 2HG PRO 10 9.152 -22.129 -15.155 72 HD2 PRO 10 1HD PRO 10 8.982 -22.936 -12.622 73 HD3 PRO 10 2HD PRO 10 10.025 -23.790 -13.785 74 H LEU 11 H LEU 11 14.086 -20.379 -13.161 75 HA LEU 11 HA LEU 11 13.410 -18.719 -10.947 76 HB2 LEU 11 1HB LEU 11 15.698 -19.785 -11.476 77 HB3 LEU 11 2HB LEU 11 15.910 -18.500 -12.636 78 HG LEU 11 HG LEU 11 15.556 -18.069 -9.655 79 HD11 LEU 11 1HD1 LEU 11 17.602 -19.261 -10.090 80 HD12 LEU 11 2HD1 LEU 11 17.955 -17.593 -9.628 81 HD13 LEU 11 3HD1 LEU 11 18.061 -18.082 -11.316 82 HD21 LEU 11 3HD2 LEU 11 16.403 -15.805 -10.100 83 HD22 LEU 11 1HD2 LEU 11 14.910 -16.110 -10.987 84 HD23 LEU 11 2HD2 LEU 11 16.458 -16.164 -11.826 85 H ASP 12 H ASP 12 11.840 -17.465 -11.548 86 HA ASP 12 HA ASP 12 12.342 -15.428 -13.606 87 HB2 ASP 12 1HB ASP 12 10.364 -17.034 -13.942 88 HB3 ASP 12 2HB ASP 12 9.639 -16.301 -12.517 89 H LYS 13 H LYS 13 10.370 -13.604 -12.647 90 HA LYS 13 HA LYS 13 11.643 -12.835 -10.084 91 HB2 LYS 13 1HB LYS 13 10.499 -11.114 -12.248 92 HB3 LYS 13 2HB LYS 13 10.964 -10.549 -10.648 93 HG2 LYS 13 1HG LYS 13 13.296 -11.195 -11.144 94 HG3 LYS 13 2HG LYS 13 12.787 -11.760 -12.738 95 HD2 LYS 13 1HD LYS 13 13.764 -9.530 -12.900 96 HD3 LYS 13 2HD LYS 13 12.055 -9.492 -13.312 97 HE2 LYS 13 1HE LYS 13 11.534 -8.671 -11.046 98 HE3 LYS 13 2HE LYS 13 13.250 -8.705 -10.645 99 HZ1 LYS 13 3HZ LYS 13 11.980 -7.043 -12.739 100 HZ2 LYS 13 1HZ LYS 13 13.624 -7.037 -12.348 101 HZ3 LYS 13 2HZ LYS 13 12.487 -6.501 -11.229 102 HA PRO 14 HA PRO 14 7.676 -12.915 -8.435 103 HB2 PRO 14 1HB PRO 14 8.403 -13.529 -5.959 104 HB3 PRO 14 2HB PRO 14 8.691 -14.653 -7.329 105 HG2 PRO 14 1HG PRO 14 10.674 -12.848 -6.025 106 HG3 PRO 14 2HG PRO 14 10.803 -14.583 -6.381 107 HD2 PRO 14 1HD PRO 14 11.693 -12.548 -8.034 108 HD3 PRO 14 2HD PRO 14 11.332 -14.211 -8.553 109 H ILE 15 H ILE 15 6.702 -11.020 -7.952 110 HA ILE 15 HA ILE 15 8.242 -8.947 -6.526 111 HB ILE 15 HB ILE 15 6.110 -8.477 -8.662 112 HG12 ILE 15 1HG1 ILE 15 9.116 -8.243 -8.947 113 HG13 ILE 15 2HG1 ILE 15 8.106 -9.479 -9.686 114 HG21 ILE 15 1HG2 ILE 15 8.050 -6.609 -7.322 115 HG22 ILE 15 2HG2 ILE 15 6.310 -6.690 -7.048 116 HG23 ILE 15 3HG2 ILE 15 6.936 -6.165 -8.613 117 HD11 ILE 15 3HD1 ILE 15 7.947 -6.529 -10.251 118 HD12 ILE 15 1HD1 ILE 15 6.990 -7.790 -11.027 119 HD13 ILE 15 2HD1 ILE 15 8.739 -7.731 -11.269 120 H GLN 16 H GLN 16 7.206 -7.885 -4.912 121 HA GLN 16 HA GLN 16 4.770 -9.318 -4.109 122 HB2 GLN 16 1HB GLN 16 6.721 -8.056 -2.195 123 HB3 GLN 16 2HB GLN 16 5.478 -9.232 -1.866 124 HG2 GLN 16 1HG GLN 16 7.635 -10.302 -1.677 125 HG3 GLN 16 2HG GLN 16 6.824 -10.949 -3.103 126 HE21 GLN 16 2HE2 GLN 16 8.359 -7.800 -3.015 127 HE22 GLN 16 1HE2 GLN 16 9.639 -8.150 -4.071 128 H TYR 17 H TYR 17 3.190 -8.059 -4.435 129 HA TYR 17 HA TYR 17 3.118 -5.325 -3.417 130 HB2 TYR 17 1HB TYR 17 2.661 -6.221 -6.249 131 HB3 TYR 17 2HB TYR 17 1.707 -4.901 -5.594 132 HD1 TYR 17 HD1 TYR 17 5.389 -5.825 -5.534 133 HD2 TYR 17 HD2 TYR 17 2.444 -2.840 -6.303 134 HE1 TYR 17 HE1 TYR 17 7.139 -4.262 -6.137 135 HE2 TYR 17 HE2 TYR 17 4.221 -1.255 -6.900 136 HH TYR 17 HH TYR 17 7.477 -2.269 -7.340 137 H ARG 18 H ARG 18 1.281 -4.873 -2.517 138 HA ARG 18 HA ARG 18 -0.973 -6.685 -2.952 139 HB2 ARG 18 1HB ARG 18 -1.600 -6.476 -0.555 140 HB3 ARG 18 2HB ARG 18 -0.052 -7.283 -0.763 141 HG2 ARG 18 1HG ARG 18 1.137 -5.348 -0.053 142 HG3 ARG 18 2HG ARG 18 -0.328 -4.370 -0.082 143 HD2 ARG 18 1HD ARG 18 0.109 -6.744 1.734 144 HD3 ARG 18 2HD ARG 18 0.389 -5.067 2.195 145 HE ARG 18 HE ARG 18 -2.269 -5.914 1.262 146 HH11 ARG 18 1HH1 ARG 18 -0.235 -4.813 3.948 147 HH12 ARG 18 2HH1 ARG 18 -1.530 -4.243 4.892 148 HH21 ARG 18 1HH2 ARG 18 -4.106 -5.120 2.610 149 HH22 ARG 18 2HH2 ARG 18 -3.743 -4.432 4.108 150 H VAL 19 H VAL 19 -2.958 -5.645 -2.986 151 HA VAL 19 HA VAL 19 -2.706 -2.792 -3.367 152 HB VAL 19 HB VAL 19 -4.981 -2.778 -4.167 153 HG11 VAL 19 1HG1 VAL 19 -3.339 -3.391 -5.794 154 HG12 VAL 19 2HG1 VAL 19 -4.832 -4.288 -6.090 155 HG13 VAL 19 3HG1 VAL 19 -3.461 -5.087 -5.322 156 HG21 VAL 19 3HG2 VAL 19 -5.123 -5.684 -3.374 157 HG22 VAL 19 1HG2 VAL 19 -6.350 -4.826 -4.311 158 HG23 VAL 19 2HG2 VAL 19 -6.014 -4.348 -2.650 159 H CYS 20 H CYS 20 -3.338 -1.319 -2.090 160 HA CYS 20 HA CYS 20 -4.275 -1.847 0.544 161 HB2 CYS 20 1HB CYS 20 -3.141 0.245 0.054 162 HB3 CYS 20 2HB CYS 20 -4.326 0.633 -1.185 163 H GLU 21 H GLU 21 -6.294 -2.489 1.050 164 HA GLU 21 HA GLU 21 -8.229 -3.110 -0.823 165 HB2 GLU 21 1HB GLU 21 -8.653 -2.570 2.130 166 HB3 GLU 21 2HB GLU 21 -9.766 -3.415 1.083 167 HG2 GLU 21 1HG GLU 21 -8.638 -5.037 2.415 168 HG3 GLU 21 2HG GLU 21 -8.024 -5.183 0.772 169 H LYS 22 H LYS 22 -7.993 -0.321 1.285 170 HA LYS 22 HA LYS 22 -10.443 0.815 0.523 171 HB2 LYS 22 1HB LYS 22 -9.549 1.301 2.691 172 HB3 LYS 22 2HB LYS 22 -8.061 1.905 2.010 173 HG2 LYS 22 1HG LYS 22 -10.602 3.322 1.359 174 HG3 LYS 22 2HG LYS 22 -9.894 3.526 2.960 175 HD2 LYS 22 1HD LYS 22 -7.807 4.284 1.975 176 HD3 LYS 22 2HD LYS 22 -8.436 3.984 0.359 177 HE2 LYS 22 1HE LYS 22 -9.620 5.933 2.317 178 HE3 LYS 22 2HE LYS 22 -8.465 6.370 1.062 179 HZ1 LYS 22 3HZ LYS 22 -10.029 5.761 -0.609 180 HZ2 LYS 22 1HZ LYS 22 -10.764 6.788 0.495 181 HZ3 LYS 22 2HZ LYS 22 -11.113 5.125 0.514 182 H CYS 23 H CYS 23 -7.178 1.322 -0.736 183 HA CYS 23 HA CYS 23 -8.266 3.479 -2.419 184 HB2 CYS 23 1HB CYS 23 -5.376 2.656 -2.105 185 HB3 CYS 23 2HB CYS 23 -5.959 4.052 -2.998 186 H GLY 24 H GLY 24 -7.289 0.168 -2.742 187 HA2 GLY 24 1HA GLY 24 -7.300 -1.216 -4.582 188 HA3 GLY 24 2HA GLY 24 -7.907 0.128 -5.553 189 H LYS 25 H LYS 25 -5.138 0.400 -3.612 190 HA LYS 25 HA LYS 25 -3.509 1.037 -5.973 191 HB2 LYS 25 1HB LYS 25 -3.836 2.847 -4.400 192 HB3 LYS 25 2HB LYS 25 -3.330 1.836 -3.068 193 HG2 LYS 25 1HG LYS 25 -1.614 3.448 -3.666 194 HG3 LYS 25 2HG LYS 25 -1.057 1.800 -3.957 195 HD2 LYS 25 1HD LYS 25 -1.444 2.007 -6.269 196 HD3 LYS 25 2HD LYS 25 -2.207 3.595 -6.084 197 HE2 LYS 25 1HE LYS 25 -0.065 4.458 -5.211 198 HE3 LYS 25 2HE LYS 25 0.666 2.880 -5.489 199 HZ1 LYS 25 3HZ LYS 25 -0.445 4.687 -7.565 200 HZ2 LYS 25 1HZ LYS 25 0.221 3.156 -7.866 201 HZ3 LYS 25 2HZ LYS 25 1.166 4.397 -7.246 202 HA PRO 26 HA PRO 26 -1.234 -2.700 -4.654 203 HB2 PRO 26 1HB PRO 26 0.268 -2.956 -6.878 204 HB3 PRO 26 2HB PRO 26 -1.363 -3.602 -6.759 205 HG2 PRO 26 1HG PRO 26 -0.442 -1.152 -8.175 206 HG3 PRO 26 2HG PRO 26 -1.764 -2.251 -8.581 207 HD2 PRO 26 1HD PRO 26 -2.089 0.222 -7.378 208 HD3 PRO 26 2HD PRO 26 -3.270 -1.097 -7.308 209 H LEU 27 H LEU 27 0.344 -2.428 -3.357 210 HA LEU 27 HA LEU 27 2.426 -0.509 -4.013 211 HB2 LEU 27 1HB LEU 27 2.455 0.001 -1.545 212 HB3 LEU 27 2HB LEU 27 1.079 0.596 -2.448 213 HG LEU 27 HG LEU 27 -0.049 -1.609 -1.622 214 HD11 LEU 27 1HD1 LEU 27 1.783 -2.669 -0.595 215 HD12 LEU 27 2HD1 LEU 27 0.623 -2.228 0.667 216 HD13 LEU 27 3HD1 LEU 27 2.093 -1.277 0.432 217 HD21 LEU 27 3HD2 LEU 27 0.364 0.784 0.145 218 HD22 LEU 27 1HD2 LEU 27 -0.918 -0.418 0.329 219 HD23 LEU 27 2HD2 LEU 27 -0.840 0.583 -1.126 220 H ALA 28 H ALA 28 4.465 -1.010 -3.276 221 HA ALA 28 HA ALA 28 5.111 -3.759 -3.248 222 HB1 ALA 28 3HB ALA 28 6.786 -1.363 -2.497 223 HB2 ALA 28 1HB ALA 28 6.670 -2.099 -4.094 224 HB3 ALA 28 2HB ALA 28 7.395 -2.996 -2.760 225 H LEU 29 H LEU 29 5.862 -5.003 -1.598 226 HA LEU 29 HA LEU 29 4.690 -4.863 0.893 227 HB2 LEU 29 1HB LEU 29 6.113 -6.640 1.614 228 HB3 LEU 29 2HB LEU 29 5.786 -6.888 -0.082 229 HG LEU 29 HG LEU 29 8.378 -5.853 1.090 230 HD11 LEU 29 1HD1 LEU 29 7.693 -8.516 -0.106 231 HD12 LEU 29 2HD1 LEU 29 8.037 -8.169 1.589 232 HD13 LEU 29 3HD1 LEU 29 9.305 -7.990 0.379 233 HD21 LEU 29 3HD2 LEU 29 8.051 -4.929 -1.121 234 HD22 LEU 29 1HD2 LEU 29 7.697 -6.519 -1.783 235 HD23 LEU 29 2HD2 LEU 29 9.308 -6.160 -1.166 236 H THR 30 H THR 30 7.697 -3.397 -0.113 237 HA THR 30 HA THR 30 8.624 -2.691 2.475 238 HB THR 30 HB THR 30 9.387 -1.457 -0.176 239 HG1 THR 30 HG1 THR 30 10.467 -3.811 0.982 240 HG21 THR 30 3HG2 THR 30 11.598 -1.289 0.886 241 HG22 THR 30 1HG2 THR 30 10.971 -2.068 2.339 242 HG23 THR 30 2HG2 THR 30 10.376 -0.480 1.867 243 H ALA 31 H ALA 31 6.278 -1.334 0.290 244 HA ALA 31 HA ALA 31 6.648 1.379 1.334 245 HB1 ALA 31 3HB ALA 31 5.057 0.422 -1.034 246 HB2 ALA 31 1HB ALA 31 6.686 1.098 -1.096 247 HB3 ALA 31 2HB ALA 31 5.331 2.101 -0.569 248 H ILE 32 H ILE 32 4.932 -1.223 2.196 249 HA ILE 32 HA ILE 32 2.280 -0.344 2.189 250 HB ILE 32 HB ILE 32 2.788 -2.714 2.540 251 HG12 ILE 32 1HG1 ILE 32 0.598 -1.696 3.478 252 HG13 ILE 32 2HG1 ILE 32 1.003 -3.301 4.023 253 HG21 ILE 32 1HG2 ILE 32 3.584 -3.615 4.673 254 HG22 ILE 32 2HG2 ILE 32 3.859 -1.969 5.237 255 HG23 ILE 32 3HG2 ILE 32 4.772 -2.592 3.859 256 HD11 ILE 32 3HD1 ILE 32 0.128 -1.992 5.837 257 HD12 ILE 32 1HD1 ILE 32 1.336 -0.733 5.563 258 HD13 ILE 32 2HD1 ILE 32 1.832 -2.323 6.140 259 H VAL 33 H VAL 33 4.652 0.014 4.778 260 HA VAL 33 HA VAL 33 2.807 1.248 6.497 261 HB VAL 33 HB VAL 33 4.784 1.992 7.841 262 HG11 VAL 33 1HG1 VAL 33 4.777 -0.891 6.965 263 HG12 VAL 33 2HG1 VAL 33 3.743 -0.179 8.202 264 HG13 VAL 33 3HG1 VAL 33 5.485 -0.273 8.459 265 HG21 VAL 33 3HG2 VAL 33 7.004 1.209 7.200 266 HG22 VAL 33 1HG2 VAL 33 6.361 2.320 5.992 267 HG23 VAL 33 2HG2 VAL 33 6.356 0.584 5.681 268 H ASP 34 H ASP 34 5.104 2.588 4.194 269 HA ASP 34 HA ASP 34 4.828 5.303 4.831 270 HB2 ASP 34 1HB ASP 34 5.314 4.022 2.124 271 HB3 ASP 34 2HB ASP 34 5.440 5.741 2.441 272 H HIS 35 H HIS 35 3.177 3.405 2.351 273 HA HIS 35 HA HIS 35 1.370 5.421 1.637 274 HB2 HIS 35 1HB HIS 35 1.662 3.581 0.100 275 HB3 HIS 35 2HB HIS 35 1.163 2.417 1.323 276 HD1 HIS 35 HD1 HIS 35 -0.212 4.602 -1.331 277 HD2 HIS 35 HD2 HIS 35 -1.627 2.551 1.971 278 HE1 HIS 35 HE1 HIS 35 -2.700 4.554 -1.612 279 H LEU 36 H LEU 36 1.036 2.763 3.968 280 HA LEU 36 HA LEU 36 -1.689 3.197 4.450 281 HB2 LEU 36 1HB LEU 36 -0.216 1.177 5.031 282 HB3 LEU 36 2HB LEU 36 0.239 2.085 6.458 283 HG LEU 36 HG LEU 36 -2.219 2.215 6.990 284 HD11 LEU 36 1HD1 LEU 36 -3.153 1.695 4.854 285 HD12 LEU 36 2HD1 LEU 36 -3.649 0.468 6.021 286 HD13 LEU 36 3HD1 LEU 36 -2.375 0.113 4.859 287 HD21 LEU 36 3HD2 LEU 36 -0.694 0.736 8.184 288 HD22 LEU 36 1HD2 LEU 36 -0.919 -0.506 6.955 289 HD23 LEU 36 2HD2 LEU 36 -2.271 -0.019 7.979 290 H GLU 37 H GLU 37 1.180 4.715 5.703 291 HA GLU 37 HA GLU 37 -0.266 6.086 7.752 292 HB2 GLU 37 1HB GLU 37 2.037 5.465 8.161 293 HB3 GLU 37 2HB GLU 37 2.571 6.399 6.772 294 HG2 GLU 37 1HG GLU 37 1.928 8.445 7.831 295 HG3 GLU 37 2HG GLU 37 1.212 7.575 9.179 296 H ASN 38 H ASN 38 0.681 6.857 4.332 297 HA ASN 38 HA ASN 38 -0.038 9.579 4.983 298 HB2 ASN 38 1HB ASN 38 1.206 10.302 2.984 299 HB3 ASN 38 2HB ASN 38 2.241 9.480 4.133 300 HD21 ASN 38 2HD2 ASN 38 3.754 9.091 2.567 301 HD22 ASN 38 1HD2 ASN 38 3.589 7.921 1.317 302 H HIS 39 H HIS 39 -1.445 6.980 3.963 303 HA HIS 39 HA HIS 39 -2.535 8.255 1.854 304 HB2 HIS 39 1HB HIS 39 -3.974 6.354 1.337 305 HB3 HIS 39 2HB HIS 39 -2.409 5.814 1.930 306 HD2 HIS 39 HD2 HIS 39 -3.836 6.212 5.189 307 HE1 HIS 39 HE1 HIS 39 -5.803 2.683 3.915 308 HE2 HIS 39 HE2 HIS 39 -4.982 4.034 5.867 309 H CYS 40 H CYS 40 -5.202 8.635 1.811 310 HA CYS 40 HA CYS 40 -5.792 10.001 4.293 311 HB2 CYS 40 1HB CYS 40 -7.365 9.862 1.711 312 HB3 CYS 40 2HB CYS 40 -7.728 10.902 3.084 313 HG CYS 40 HG CYS 40 -4.630 11.213 1.881 314 H ALA 41 H ALA 41 -6.606 8.842 5.864 315 HA ALA 41 HA ALA 41 -8.278 6.535 5.268 316 HB1 ALA 41 3HB ALA 41 -8.030 5.978 7.635 317 HB2 ALA 41 1HB ALA 41 -7.185 7.502 7.916 318 HB3 ALA 41 2HB ALA 41 -6.448 6.262 6.902 319 H GLY 42 H GLY 42 -10.391 6.495 5.606 320 HA2 GLY 42 1HA GLY 42 -12.422 7.113 6.659 321 HA3 GLY 42 2HA GLY 42 -11.686 8.641 7.130 322 H ALA 43 H ALA 43 -10.532 9.117 4.599 323 HA ALA 43 HA ALA 43 -12.697 10.444 3.306 324 HB1 ALA 43 3HB ALA 43 -10.464 11.433 3.373 325 HB2 ALA 43 1HB ALA 43 -10.978 11.177 1.706 326 HB3 ALA 43 2HB ALA 43 -9.826 10.073 2.452 327 H SER 44 H SER 44 -13.855 9.749 1.589 328 HA SER 44 HA SER 44 -13.074 7.148 0.515 329 HB2 SER 44 1HB SER 44 -15.808 8.450 0.505 330 HB3 SER 44 2HB SER 44 -15.430 6.789 0.045 331 HG SER 44 HG SER 44 -14.533 7.563 2.521 Start of MODEL 12 1 H1 ASN 1 1H ASN 1 19.290 -30.138 1.933 2 H2 ASN 1 2H ASN 1 18.703 -30.160 3.522 3 H3 ASN 1 3H ASN 1 17.650 -29.832 2.236 4 HA ASN 1 HA ASN 1 19.068 -32.369 2.691 5 HB2 ASN 1 1HB ASN 1 16.143 -31.629 3.053 6 HB3 ASN 1 2HB ASN 1 16.778 -33.265 3.144 7 HD21 ASN 1 2HD2 ASN 1 15.972 -33.407 5.281 8 HD22 ASN 1 1HD2 ASN 1 16.815 -32.672 6.591 9 HA PRO 2 HA PRO 2 17.909 -32.634 -1.617 10 HB2 PRO 2 1HB PRO 2 19.168 -35.061 -2.095 11 HB3 PRO 2 2HB PRO 2 19.944 -33.483 -2.205 12 HG2 PRO 2 1HG PRO 2 20.405 -35.555 -0.279 13 HG3 PRO 2 2HG PRO 2 21.207 -33.985 -0.404 14 HD2 PRO 2 1HD PRO 2 19.058 -34.851 1.414 15 HD3 PRO 2 2HD PRO 2 20.164 -33.468 1.534 16 H ASN 3 H ASN 3 15.722 -32.928 -1.154 17 HA ASN 3 HA ASN 3 14.811 -35.725 -1.310 18 HB2 ASN 3 1HB ASN 3 12.971 -35.212 0.213 19 HB3 ASN 3 2HB ASN 3 14.503 -34.834 0.989 20 HD21 ASN 3 2HD2 ASN 3 11.515 -33.612 -0.140 21 HD22 ASN 3 1HD2 ASN 3 11.741 -31.984 0.379 22 H ALA 4 H ALA 4 15.074 -32.973 -2.925 23 HA ALA 4 HA ALA 4 12.863 -33.565 -4.650 24 HB1 ALA 4 3HB ALA 4 11.891 -31.903 -3.105 25 HB2 ALA 4 1HB ALA 4 12.129 -31.208 -4.709 26 HB3 ALA 4 2HB ALA 4 13.253 -30.825 -3.410 27 H GLN 5 H GLN 5 13.185 -32.347 -6.676 28 HA GLN 5 HA GLN 5 16.026 -32.196 -7.266 29 HB2 GLN 5 1HB GLN 5 13.617 -31.926 -9.069 30 HB3 GLN 5 2HB GLN 5 15.290 -32.075 -9.593 31 HG2 GLN 5 1HG GLN 5 13.775 -34.174 -8.055 32 HG3 GLN 5 2HG GLN 5 14.020 -34.166 -9.800 33 HE21 GLN 5 2HE2 GLN 5 14.879 -36.056 -7.700 34 HE22 GLN 5 1HE2 GLN 5 16.579 -36.212 -7.899 35 H LEU 6 H LEU 6 17.028 -30.290 -7.217 36 HA LEU 6 HA LEU 6 15.606 -27.986 -6.461 37 HB2 LEU 6 1HB LEU 6 18.458 -28.268 -7.338 38 HB3 LEU 6 2HB LEU 6 17.758 -26.810 -6.678 39 HG LEU 6 HG LEU 6 18.118 -29.432 -5.240 40 HD11 LEU 6 1HD1 LEU 6 20.189 -28.215 -5.577 41 HD12 LEU 6 2HD1 LEU 6 19.712 -28.164 -3.879 42 HD13 LEU 6 3HD1 LEU 6 19.459 -26.757 -4.908 43 HD21 LEU 6 3HD2 LEU 6 16.086 -28.342 -4.453 44 HD22 LEU 6 1HD2 LEU 6 16.955 -26.817 -4.262 45 HD23 LEU 6 2HD2 LEU 6 17.359 -28.196 -3.244 46 H ILE 7 H ILE 7 14.847 -26.380 -7.502 47 HA ILE 7 HA ILE 7 14.962 -26.188 -10.334 48 HB ILE 7 HB ILE 7 13.838 -24.016 -10.002 49 HG12 ILE 7 1HG1 ILE 7 13.887 -24.782 -7.073 50 HG13 ILE 7 2HG1 ILE 7 14.801 -23.459 -7.800 51 HG21 ILE 7 1HG2 ILE 7 12.595 -26.399 -8.640 52 HG22 ILE 7 2HG2 ILE 7 12.558 -26.022 -10.361 53 HG23 ILE 7 3HG2 ILE 7 11.715 -24.981 -9.217 54 HD11 ILE 7 3HD1 ILE 7 11.848 -23.744 -7.767 55 HD12 ILE 7 1HD1 ILE 7 12.764 -22.412 -8.455 56 HD13 ILE 7 2HD1 ILE 7 12.786 -22.670 -6.692 57 H GLU 8 H GLU 8 15.767 -24.227 -11.394 58 HA GLU 8 HA GLU 8 18.483 -23.849 -10.892 59 HB2 GLU 8 1HB GLU 8 16.606 -22.065 -12.476 60 HB3 GLU 8 2HB GLU 8 18.352 -21.989 -12.538 61 HG2 GLU 8 1HG GLU 8 17.630 -23.118 -14.488 62 HG3 GLU 8 2HG GLU 8 18.319 -24.344 -13.430 63 H ASP 9 H ASP 9 19.542 -22.516 -9.636 64 HA ASP 9 HA ASP 9 18.499 -21.296 -7.439 65 HB2 ASP 9 1HB ASP 9 20.884 -21.736 -7.696 66 HB3 ASP 9 2HB ASP 9 21.000 -20.480 -8.927 67 HA PRO 10 HA PRO 10 16.550 -17.771 -9.411 68 HB2 PRO 10 1HB PRO 10 15.404 -17.124 -6.831 69 HB3 PRO 10 2HB PRO 10 14.592 -17.734 -8.272 70 HG2 PRO 10 1HG PRO 10 14.901 -19.179 -5.965 71 HG3 PRO 10 2HG PRO 10 14.710 -19.901 -7.571 72 HD2 PRO 10 1HD PRO 10 17.186 -19.488 -5.956 73 HD3 PRO 10 2HD PRO 10 16.702 -20.848 -7.004 74 H LEU 11 H LEU 11 17.416 -15.838 -9.659 75 HA LEU 11 HA LEU 11 18.512 -14.493 -7.333 76 HB2 LEU 11 1HB LEU 11 20.437 -15.490 -8.449 77 HB3 LEU 11 2HB LEU 11 19.953 -14.773 -9.974 78 HG LEU 11 HG LEU 11 20.357 -12.527 -9.007 79 HD11 LEU 11 1HD1 LEU 11 20.022 -13.035 -6.662 80 HD12 LEU 11 2HD1 LEU 11 21.616 -12.334 -6.929 81 HD13 LEU 11 3HD1 LEU 11 21.453 -14.067 -6.663 82 HD21 LEU 11 3HD2 LEU 11 22.700 -14.417 -8.877 83 HD22 LEU 11 1HD2 LEU 11 22.798 -12.664 -9.058 84 HD23 LEU 11 2HD2 LEU 11 22.074 -13.643 -10.333 85 H ASP 12 H ASP 12 16.730 -13.298 -7.331 86 HA ASP 12 HA ASP 12 16.698 -10.845 -8.748 87 HB2 ASP 12 1HB ASP 12 14.369 -12.776 -9.203 88 HB3 ASP 12 2HB ASP 12 14.257 -11.049 -9.440 89 H LYS 13 H LYS 13 14.828 -9.582 -7.752 90 HA LYS 13 HA LYS 13 13.625 -10.984 -5.487 91 HB2 LYS 13 1HB LYS 13 14.864 -8.238 -5.334 92 HB3 LYS 13 2HB LYS 13 13.721 -8.886 -4.164 93 HG2 LYS 13 1HG LYS 13 15.316 -10.723 -3.750 94 HG3 LYS 13 2HG LYS 13 16.502 -9.890 -4.766 95 HD2 LYS 13 1HD LYS 13 16.971 -9.366 -2.479 96 HD3 LYS 13 2HD LYS 13 16.258 -7.930 -3.213 97 HE2 LYS 13 1HE LYS 13 15.356 -8.384 -0.964 98 HE3 LYS 13 2HE LYS 13 14.099 -8.449 -2.194 99 HZ1 LYS 13 3HZ LYS 13 14.203 -10.876 -2.122 100 HZ2 LYS 13 1HZ LYS 13 13.955 -10.269 -0.581 101 HZ3 LYS 13 2HZ LYS 13 15.469 -10.828 -1.031 102 HA PRO 14 HA PRO 14 10.118 -9.329 -7.482 103 HB2 PRO 14 1HB PRO 14 9.323 -11.636 -5.818 104 HB3 PRO 14 2HB PRO 14 8.708 -11.239 -7.460 105 HG2 PRO 14 1HG PRO 14 10.327 -13.257 -7.159 106 HG3 PRO 14 2HG PRO 14 10.769 -12.050 -8.391 107 HD2 PRO 14 1HD PRO 14 11.766 -12.309 -5.584 108 HD3 PRO 14 2HD PRO 14 12.708 -12.120 -7.086 109 H ILE 15 H ILE 15 9.302 -7.690 -6.231 110 HA ILE 15 HA ILE 15 9.047 -8.201 -3.375 111 HB ILE 15 HB ILE 15 8.733 -5.497 -4.736 112 HG12 ILE 15 1HG1 ILE 15 11.051 -5.119 -3.417 113 HG13 ILE 15 2HG1 ILE 15 11.178 -6.839 -3.674 114 HG21 ILE 15 1HG2 ILE 15 7.615 -5.711 -2.576 115 HG22 ILE 15 2HG2 ILE 15 8.975 -4.593 -2.462 116 HG23 ILE 15 3HG2 ILE 15 9.125 -6.230 -1.831 117 HD11 ILE 15 3HD1 ILE 15 12.346 -5.588 -5.404 118 HD12 ILE 15 1HD1 ILE 15 10.833 -4.811 -5.868 119 HD13 ILE 15 2HD1 ILE 15 11.033 -6.554 -6.067 120 H GLN 16 H GLN 16 7.090 -8.537 -2.662 121 HA GLN 16 HA GLN 16 5.113 -8.796 -4.673 122 HB2 GLN 16 1HB GLN 16 4.945 -9.425 -1.739 123 HB3 GLN 16 2HB GLN 16 3.661 -9.747 -2.902 124 HG2 GLN 16 1HG GLN 16 6.432 -10.934 -2.892 125 HG3 GLN 16 2HG GLN 16 4.918 -11.765 -2.555 126 HE21 GLN 16 2HE2 GLN 16 3.483 -10.436 -4.735 127 HE22 GLN 16 1HE2 GLN 16 4.090 -11.098 -6.200 128 H TYR 17 H TYR 17 3.176 -7.926 -4.878 129 HA TYR 17 HA TYR 17 2.897 -5.255 -3.730 130 HB2 TYR 17 1HB TYR 17 1.685 -6.390 -6.263 131 HB3 TYR 17 2HB TYR 17 1.646 -4.715 -5.726 132 HD1 TYR 17 HD1 TYR 17 3.690 -3.338 -5.856 133 HD2 TYR 17 HD2 TYR 17 3.584 -7.307 -7.367 134 HE1 TYR 17 HE1 TYR 17 5.763 -2.914 -7.106 135 HE2 TYR 17 HE2 TYR 17 5.640 -6.910 -8.615 136 HH TYR 17 HH TYR 17 7.572 -4.134 -8.032 137 H ARG 18 H ARG 18 1.243 -4.963 -2.472 138 HA ARG 18 HA ARG 18 -1.030 -6.777 -2.660 139 HB2 ARG 18 1HB ARG 18 -1.401 -6.369 -0.225 140 HB3 ARG 18 2HB ARG 18 0.072 -7.252 -0.563 141 HG2 ARG 18 1HG ARG 18 1.421 -5.327 -0.124 142 HG3 ARG 18 2HG ARG 18 0.005 -4.286 -0.043 143 HD2 ARG 18 1HD ARG 18 0.604 -6.561 1.845 144 HD3 ARG 18 2HD ARG 18 0.877 -4.852 2.189 145 HE ARG 18 HE ARG 18 -1.810 -5.773 1.477 146 HH11 ARG 18 1HH1 ARG 18 0.341 -4.541 4.009 147 HH12 ARG 18 2HH1 ARG 18 -0.928 -4.015 5.000 148 HH21 ARG 18 1HH2 ARG 18 -3.514 -5.033 2.822 149 HH22 ARG 18 2HH2 ARG 18 -3.161 -4.275 4.316 150 H VAL 19 H VAL 19 -2.894 -5.782 -3.051 151 HA VAL 19 HA VAL 19 -2.773 -2.971 -3.508 152 HB VAL 19 HB VAL 19 -5.128 -3.109 -4.235 153 HG11 VAL 19 1HG1 VAL 19 -3.372 -3.552 -5.844 154 HG12 VAL 19 2HG1 VAL 19 -4.799 -4.537 -6.184 155 HG13 VAL 19 3HG1 VAL 19 -3.391 -5.262 -5.409 156 HG21 VAL 19 3HG2 VAL 19 -5.950 -4.827 -2.723 157 HG22 VAL 19 1HG2 VAL 19 -4.930 -6.038 -3.507 158 HG23 VAL 19 2HG2 VAL 19 -6.257 -5.286 -4.398 159 H CYS 20 H CYS 20 -3.349 -1.386 -2.299 160 HA CYS 20 HA CYS 20 -4.207 -1.749 0.378 161 HB2 CYS 20 1HB CYS 20 -3.093 0.325 -0.180 162 HB3 CYS 20 2HB CYS 20 -4.310 0.696 -1.403 163 H GLU 21 H GLU 21 -6.115 -2.362 1.001 164 HA GLU 21 HA GLU 21 -8.146 -2.931 -0.789 165 HB2 GLU 21 1HB GLU 21 -8.302 -2.800 2.222 166 HB3 GLU 21 2HB GLU 21 -9.360 -3.722 1.157 167 HG2 GLU 21 1HG GLU 21 -7.394 -4.999 0.357 168 HG3 GLU 21 2HG GLU 21 -6.397 -4.138 1.516 169 H LYS 22 H LYS 22 -7.542 0.004 0.852 170 HA LYS 22 HA LYS 22 -10.271 0.950 0.478 171 HB2 LYS 22 1HB LYS 22 -9.013 1.555 2.543 172 HB3 LYS 22 2HB LYS 22 -7.831 2.397 1.566 173 HG2 LYS 22 1HG LYS 22 -10.736 3.221 1.661 174 HG3 LYS 22 2HG LYS 22 -9.561 3.805 2.826 175 HD2 LYS 22 1HD LYS 22 -8.238 4.757 0.963 176 HD3 LYS 22 2HD LYS 22 -9.469 4.201 -0.169 177 HE2 LYS 22 1HE LYS 22 -9.778 6.549 0.305 178 HE3 LYS 22 2HE LYS 22 -11.127 5.627 0.974 179 HZ1 LYS 22 3HZ LYS 22 -8.801 6.713 2.509 180 HZ2 LYS 22 1HZ LYS 22 -10.092 5.817 3.162 181 HZ3 LYS 22 2HZ LYS 22 -10.370 7.324 2.477 182 H CYS 23 H CYS 23 -7.017 1.820 -0.709 183 HA CYS 23 HA CYS 23 -8.171 3.731 -2.562 184 HB2 CYS 23 1HB CYS 23 -5.282 2.951 -2.253 185 HB3 CYS 23 2HB CYS 23 -5.923 4.390 -3.030 186 H GLY 24 H GLY 24 -7.253 0.424 -2.678 187 HA2 GLY 24 1HA GLY 24 -7.146 -1.092 -4.324 188 HA3 GLY 24 2HA GLY 24 -7.973 0.038 -5.375 189 H LYS 25 H LYS 25 -4.880 0.367 -3.764 190 HA LYS 25 HA LYS 25 -3.621 0.569 -6.408 191 HB2 LYS 25 1HB LYS 25 -2.871 2.008 -3.854 192 HB3 LYS 25 2HB LYS 25 -1.940 2.067 -5.334 193 HG2 LYS 25 1HG LYS 25 -4.734 3.130 -4.932 194 HG3 LYS 25 2HG LYS 25 -3.255 4.081 -5.082 195 HD2 LYS 25 1HD LYS 25 -2.954 3.105 -7.370 196 HD3 LYS 25 2HD LYS 25 -4.539 2.357 -7.199 197 HE2 LYS 25 1HE LYS 25 -3.941 5.312 -7.140 198 HE3 LYS 25 2HE LYS 25 -4.689 4.426 -8.462 199 HZ1 LYS 25 3HZ LYS 25 -6.593 3.949 -6.990 200 HZ2 LYS 25 1HZ LYS 25 -6.316 5.598 -7.160 201 HZ3 LYS 25 2HZ LYS 25 -5.850 4.835 -5.756 202 HA PRO 26 HA PRO 26 -1.249 -2.945 -4.885 203 HB2 PRO 26 1HB PRO 26 0.566 -2.393 -7.121 204 HB3 PRO 26 2HB PRO 26 -0.419 -3.818 -6.822 205 HG2 PRO 26 1HG PRO 26 -0.986 -2.070 -8.800 206 HG3 PRO 26 2HG PRO 26 -2.241 -2.974 -7.934 207 HD2 PRO 26 1HD PRO 26 -1.398 -0.126 -7.629 208 HD3 PRO 26 2HD PRO 26 -3.017 -0.863 -7.564 209 H LEU 27 H LEU 27 -0.046 -2.545 -3.155 210 HA LEU 27 HA LEU 27 2.194 -0.672 -3.334 211 HB2 LEU 27 1HB LEU 27 0.344 -1.475 -1.167 212 HB3 LEU 27 2HB LEU 27 2.007 -1.184 -0.717 213 HG LEU 27 HG LEU 27 0.659 0.761 -0.297 214 HD11 LEU 27 1HD1 LEU 27 2.956 1.067 -0.913 215 HD12 LEU 27 2HD1 LEU 27 1.958 2.405 -1.483 216 HD13 LEU 27 3HD1 LEU 27 2.516 1.179 -2.619 217 HD21 LEU 27 3HD2 LEU 27 0.052 0.756 -3.253 218 HD22 LEU 27 1HD2 LEU 27 -0.381 2.035 -2.117 219 HD23 LEU 27 2HD2 LEU 27 -1.099 0.433 -1.957 220 H ALA 28 H ALA 28 4.130 -1.531 -3.395 221 HA ALA 28 HA ALA 28 4.580 -4.315 -2.858 222 HB1 ALA 28 3HB ALA 28 6.953 -3.718 -3.221 223 HB2 ALA 28 1HB ALA 28 6.493 -2.020 -3.302 224 HB3 ALA 28 2HB ALA 28 5.926 -3.145 -4.531 225 H LEU 29 H LEU 29 5.640 -5.171 -1.263 226 HA LEU 29 HA LEU 29 4.838 -4.504 1.254 227 HB2 LEU 29 1HB LEU 29 6.795 -6.427 0.212 228 HB3 LEU 29 2HB LEU 29 6.843 -6.105 1.931 229 HG LEU 29 HG LEU 29 4.636 -6.972 2.260 230 HD11 LEU 29 1HD1 LEU 29 3.530 -6.005 0.292 231 HD12 LEU 29 2HD1 LEU 29 3.185 -7.725 0.464 232 HD13 LEU 29 3HD1 LEU 29 4.356 -7.176 -0.738 233 HD21 LEU 29 3HD2 LEU 29 6.062 -8.660 0.255 234 HD22 LEU 29 1HD2 LEU 29 4.839 -9.232 1.391 235 HD23 LEU 29 2HD2 LEU 29 6.389 -8.625 1.997 236 H THR 30 H THR 30 7.648 -2.955 -0.132 237 HA THR 30 HA THR 30 8.623 -2.359 2.543 238 HB THR 30 HB THR 30 9.636 -1.047 0.025 239 HG1 THR 30 HG1 THR 30 9.986 -3.710 0.931 240 HG21 THR 30 3HG2 THR 30 10.488 -0.234 2.180 241 HG22 THR 30 1HG2 THR 30 11.759 -1.047 1.269 242 HG23 THR 30 2HG2 THR 30 10.979 -1.874 2.610 243 H ALA 31 H ALA 31 6.892 -0.794 -0.098 244 HA ALA 31 HA ALA 31 6.956 1.810 1.175 245 HB1 ALA 31 3HB ALA 31 5.635 0.947 -1.387 246 HB2 ALA 31 1HB ALA 31 7.256 1.626 -1.241 247 HB3 ALA 31 2HB ALA 31 5.845 2.604 -0.828 248 H ILE 32 H ILE 32 4.934 -0.880 1.260 249 HA ILE 32 HA ILE 32 2.398 0.227 1.387 250 HB ILE 32 HB ILE 32 2.633 -2.193 1.282 251 HG12 ILE 32 1HG1 ILE 32 1.019 -2.918 3.050 252 HG13 ILE 32 2HG1 ILE 32 1.237 -1.362 3.837 253 HG21 ILE 32 1HG2 ILE 32 4.623 -2.484 2.618 254 HG22 ILE 32 2HG2 ILE 32 3.333 -3.541 3.192 255 HG23 ILE 32 3HG2 ILE 32 3.728 -2.069 4.079 256 HD11 ILE 32 3HD1 ILE 32 0.083 -1.801 1.086 257 HD12 ILE 32 1HD1 ILE 32 0.280 -0.244 1.893 258 HD13 ILE 32 2HD1 ILE 32 -0.826 -1.442 2.558 259 H VAL 33 H VAL 33 4.800 0.039 3.957 260 HA VAL 33 HA VAL 33 3.074 0.849 6.021 261 HB VAL 33 HB VAL 33 5.191 -0.197 6.608 262 HG11 VAL 33 1HG1 VAL 33 7.358 0.924 6.371 263 HG12 VAL 33 2HG1 VAL 33 6.577 2.220 5.465 264 HG13 VAL 33 3HG1 VAL 33 6.611 0.584 4.809 265 HG21 VAL 33 3HG2 VAL 33 6.020 1.361 8.338 266 HG22 VAL 33 1HG2 VAL 33 4.257 1.276 8.290 267 HG23 VAL 33 2HG2 VAL 33 5.092 2.657 7.583 268 H ASP 34 H ASP 34 5.242 2.742 3.952 269 HA ASP 34 HA ASP 34 4.788 5.288 4.981 270 HB2 ASP 34 1HB ASP 34 5.303 4.434 2.126 271 HB3 ASP 34 2HB ASP 34 5.215 6.114 2.617 272 H HIS 35 H HIS 35 3.277 3.679 2.260 273 HA HIS 35 HA HIS 35 1.344 5.577 1.686 274 HB2 HIS 35 1HB HIS 35 1.728 3.827 0.084 275 HB3 HIS 35 2HB HIS 35 1.254 2.584 1.236 276 HD1 HIS 35 HD1 HIS 35 -0.149 4.870 -1.304 277 HD2 HIS 35 HD2 HIS 35 -1.556 2.570 1.831 278 HE1 HIS 35 HE1 HIS 35 -2.648 4.785 -1.629 279 H LEU 36 H LEU 36 0.969 2.666 3.725 280 HA LEU 36 HA LEU 36 -1.756 3.144 4.189 281 HB2 LEU 36 1HB LEU 36 -0.526 0.966 4.485 282 HB3 LEU 36 2HB LEU 36 0.132 1.605 5.972 283 HG LEU 36 HG LEU 36 -2.229 1.869 6.784 284 HD11 LEU 36 1HD1 LEU 36 -3.390 1.866 4.681 285 HD12 LEU 36 2HD1 LEU 36 -3.965 0.550 5.698 286 HD13 LEU 36 3HD1 LEU 36 -2.863 0.213 4.364 287 HD21 LEU 36 3HD2 LEU 36 -1.274 -0.916 6.118 288 HD22 LEU 36 1HD2 LEU 36 -2.498 -0.519 7.323 289 HD23 LEU 36 2HD2 LEU 36 -0.838 0.025 7.543 290 H GLU 37 H GLU 37 1.116 4.332 5.708 291 HA GLU 37 HA GLU 37 -0.199 5.396 7.981 292 HB2 GLU 37 1HB GLU 37 2.130 4.794 8.045 293 HB3 GLU 37 2HB GLU 37 2.488 5.945 6.768 294 HG2 GLU 37 1HG GLU 37 1.768 7.764 8.263 295 HG3 GLU 37 2HG GLU 37 1.553 6.573 9.548 296 H ASN 38 H ASN 38 0.567 6.760 4.672 297 HA ASN 38 HA ASN 38 -0.314 9.327 5.792 298 HB2 ASN 38 1HB ASN 38 1.022 10.493 4.225 299 HB3 ASN 38 2HB ASN 38 2.049 9.189 4.796 300 HD21 ASN 38 2HD2 ASN 38 0.363 10.535 2.104 301 HD22 ASN 38 1HD2 ASN 38 0.986 9.474 0.895 302 H HIS 39 H HIS 39 -1.489 6.869 4.202 303 HA HIS 39 HA HIS 39 -2.375 8.144 2.007 304 HB2 HIS 39 1HB HIS 39 -3.668 6.225 1.358 305 HB3 HIS 39 2HB HIS 39 -2.209 5.742 2.219 306 HD2 HIS 39 HD2 HIS 39 -3.880 6.086 5.247 307 HE1 HIS 39 HE1 HIS 39 -5.950 2.711 3.755 308 HE2 HIS 39 HE2 HIS 39 -5.216 3.965 5.780 309 H CYS 40 H CYS 40 -4.862 8.294 1.434 310 HA CYS 40 HA CYS 40 -5.992 10.287 2.941 311 HB2 CYS 40 1HB CYS 40 -8.032 9.842 1.575 312 HB3 CYS 40 2HB CYS 40 -6.547 10.031 0.645 313 HG CYS 40 HG CYS 40 -6.859 7.878 -0.684 314 H ALA 41 H ALA 41 -7.007 10.314 4.742 315 HA ALA 41 HA ALA 41 -7.651 8.058 6.278 316 HB1 ALA 41 3HB ALA 41 -8.554 10.915 6.617 317 HB2 ALA 41 1HB ALA 41 -7.060 10.223 7.253 318 HB3 ALA 41 2HB ALA 41 -8.619 9.644 7.837 319 H GLY 42 H GLY 42 -9.803 7.513 7.077 320 HA2 GLY 42 1HA GLY 42 -12.194 7.623 6.733 321 HA3 GLY 42 2HA GLY 42 -11.867 8.063 5.061 322 H ALA 43 H ALA 43 -9.894 5.671 6.510 323 HA ALA 43 HA ALA 43 -11.020 3.722 4.661 324 HB1 ALA 43 3HB ALA 43 -8.479 3.586 6.276 325 HB2 ALA 43 1HB ALA 43 -8.586 4.145 4.607 326 HB3 ALA 43 2HB ALA 43 -8.978 2.472 5.000 327 H SER 44 H SER 44 -12.803 2.981 5.704 328 HA SER 44 HA SER 44 -12.445 0.906 7.564 329 HB2 SER 44 1HB SER 44 -14.113 3.314 8.463 330 HB3 SER 44 2HB SER 44 -14.052 1.760 9.282 331 HG SER 44 HG SER 44 -11.605 2.834 8.865 Start of MODEL 13 1 H1 ASN 1 1H ASN 1 -2.285 -3.593 -24.931 2 H2 ASN 1 2H ASN 1 -3.629 -2.831 -25.582 3 H3 ASN 1 3H ASN 1 -2.821 -2.131 -24.282 4 HA ASN 1 HA ASN 1 -2.287 -1.021 -26.374 5 HB2 ASN 1 1HB ASN 1 0.021 -2.696 -25.318 6 HB3 ASN 1 2HB ASN 1 0.176 -1.223 -26.261 7 HD21 ASN 1 2HD2 ASN 1 -0.136 0.774 -25.224 8 HD22 ASN 1 1HD2 ASN 1 -0.220 0.876 -23.504 9 HA PRO 2 HA PRO 2 -2.425 -3.667 -30.006 10 HB2 PRO 2 1HB PRO 2 -0.555 -1.598 -31.087 11 HB3 PRO 2 2HB PRO 2 -2.032 -2.252 -31.809 12 HG2 PRO 2 1HG PRO 2 -2.067 0.159 -30.732 13 HG3 PRO 2 2HG PRO 2 -3.419 -0.954 -30.458 14 HD2 PRO 2 1HD PRO 2 -1.190 -0.196 -28.608 15 HD3 PRO 2 2HD PRO 2 -2.905 -0.477 -28.260 16 H ASN 3 H ASN 3 0.683 -2.161 -29.150 17 HA ASN 3 HA ASN 3 1.933 -4.767 -29.598 18 HB2 ASN 3 1HB ASN 3 2.909 -2.906 -30.962 19 HB3 ASN 3 2HB ASN 3 3.265 -2.040 -29.470 20 HD21 ASN 3 2HD2 ASN 3 4.883 -2.858 -28.087 21 HD22 ASN 3 1HD2 ASN 3 6.068 -3.978 -28.634 22 H ALA 4 H ALA 4 2.030 -5.775 -27.705 23 HA ALA 4 HA ALA 4 2.763 -4.179 -25.381 24 HB1 ALA 4 3HB ALA 4 0.787 -6.457 -25.341 25 HB2 ALA 4 1HB ALA 4 0.336 -4.750 -25.342 26 HB3 ALA 4 2HB ALA 4 1.243 -5.414 -23.995 27 H GLN 5 H GLN 5 4.071 -5.245 -23.906 28 HA GLN 5 HA GLN 5 5.594 -7.355 -25.112 29 HB2 GLN 5 1HB GLN 5 7.149 -7.090 -23.280 30 HB3 GLN 5 2HB GLN 5 6.783 -5.539 -24.002 31 HG2 GLN 5 1HG GLN 5 5.305 -5.009 -22.127 32 HG3 GLN 5 2HG GLN 5 5.649 -6.585 -21.406 33 HE21 GLN 5 2HE2 GLN 5 6.590 -5.691 -19.538 34 HE22 GLN 5 1HE2 GLN 5 8.117 -4.903 -19.603 35 H LEU 6 H LEU 6 6.070 -9.308 -24.130 36 HA LEU 6 HA LEU 6 3.882 -10.775 -23.186 37 HB2 LEU 6 1HB LEU 6 5.778 -11.759 -24.371 38 HB3 LEU 6 2HB LEU 6 6.847 -11.336 -23.055 39 HG LEU 6 HG LEU 6 5.579 -12.918 -21.590 40 HD11 LEU 6 1HD1 LEU 6 4.253 -13.721 -24.171 41 HD12 LEU 6 2HD1 LEU 6 3.473 -12.954 -22.790 42 HD13 LEU 6 3HD1 LEU 6 4.133 -14.583 -22.638 43 HD21 LEU 6 3HD2 LEU 6 6.575 -14.933 -22.552 44 HD22 LEU 6 1HD2 LEU 6 7.680 -13.560 -22.649 45 HD23 LEU 6 2HD2 LEU 6 6.804 -14.090 -24.086 46 H ILE 7 H ILE 7 3.093 -11.028 -21.173 47 HA ILE 7 HA ILE 7 4.330 -9.668 -18.973 48 HB ILE 7 HB ILE 7 1.910 -11.510 -19.050 49 HG12 ILE 7 1HG1 ILE 7 1.569 -9.437 -20.315 50 HG13 ILE 7 2HG1 ILE 7 0.570 -9.464 -18.869 51 HG21 ILE 7 1HG2 ILE 7 1.344 -10.647 -16.821 52 HG22 ILE 7 2HG2 ILE 7 2.861 -9.750 -16.787 53 HG23 ILE 7 3HG2 ILE 7 2.883 -11.510 -16.818 54 HD11 ILE 7 3HD1 ILE 7 2.174 -7.962 -17.764 55 HD12 ILE 7 1HD1 ILE 7 1.505 -7.259 -19.235 56 HD13 ILE 7 2HD1 ILE 7 3.135 -7.922 -19.243 57 H GLU 8 H GLU 8 6.102 -10.509 -18.307 58 HA GLU 8 HA GLU 8 6.743 -13.299 -18.477 59 HB2 GLU 8 1HB GLU 8 8.240 -11.062 -17.126 60 HB3 GLU 8 2HB GLU 8 8.859 -12.662 -17.468 61 HG2 GLU 8 1HG GLU 8 8.771 -12.221 -19.838 62 HG3 GLU 8 2HG GLU 8 8.040 -10.643 -19.537 63 H ASP 9 H ASP 9 7.166 -14.639 -16.737 64 HA ASP 9 HA ASP 9 6.216 -13.690 -14.153 65 HB2 ASP 9 1HB ASP 9 5.825 -16.022 -13.497 66 HB3 ASP 9 2HB ASP 9 4.989 -15.714 -15.007 67 HA PRO 10 HA PRO 10 10.506 -13.056 -13.325 68 HB2 PRO 10 1HB PRO 10 9.366 -13.399 -10.592 69 HB3 PRO 10 2HB PRO 10 10.535 -12.210 -11.184 70 HG2 PRO 10 1HG PRO 10 8.009 -11.514 -10.899 71 HG3 PRO 10 2HG PRO 10 8.912 -10.998 -12.332 72 HD2 PRO 10 1HD PRO 10 6.817 -13.092 -12.079 73 HD3 PRO 10 2HD PRO 10 7.202 -12.027 -13.441 74 H LEU 11 H LEU 11 12.195 -14.253 -13.071 75 HA LEU 11 HA LEU 11 11.971 -17.051 -12.346 76 HB2 LEU 11 1HB LEU 11 13.118 -16.487 -14.414 77 HB3 LEU 11 2HB LEU 11 14.177 -15.386 -13.563 78 HG LEU 11 HG LEU 11 15.211 -17.294 -12.394 79 HD11 LEU 11 1HD1 LEU 11 13.361 -18.835 -12.396 80 HD12 LEU 11 2HD1 LEU 11 14.768 -19.572 -13.159 81 HD13 LEU 11 3HD1 LEU 11 13.436 -18.969 -14.152 82 HD21 LEU 11 3HD2 LEU 11 16.208 -16.455 -14.445 83 HD22 LEU 11 1HD2 LEU 11 15.184 -17.529 -15.399 84 HD23 LEU 11 2HD2 LEU 11 16.412 -18.202 -14.323 85 H ASP 12 H ASP 12 12.329 -17.570 -10.320 86 HA ASP 12 HA ASP 12 13.113 -17.782 -8.255 87 HB2 ASP 12 1HB ASP 12 15.372 -17.898 -9.126 88 HB3 ASP 12 2HB ASP 12 15.476 -16.140 -9.181 89 H LYS 13 H LYS 13 13.538 -14.456 -9.254 90 HA LYS 13 HA LYS 13 13.017 -13.317 -6.626 91 HB2 LYS 13 1HB LYS 13 12.808 -12.071 -9.353 92 HB3 LYS 13 2HB LYS 13 12.695 -11.211 -7.834 93 HG2 LYS 13 1HG LYS 13 14.974 -11.747 -7.356 94 HG3 LYS 13 2HG LYS 13 15.144 -12.595 -8.914 95 HD2 LYS 13 1HD LYS 13 14.503 -9.665 -8.450 96 HD3 LYS 13 2HD LYS 13 16.033 -10.305 -9.025 97 HE2 LYS 13 1HE LYS 13 14.927 -11.120 -11.062 98 HE3 LYS 13 2HE LYS 13 13.385 -10.497 -10.477 99 HZ1 LYS 13 3HZ LYS 13 14.368 -8.982 -12.028 100 HZ2 LYS 13 1HZ LYS 13 15.784 -8.880 -11.117 101 HZ3 LYS 13 2HZ LYS 13 14.340 -8.268 -10.495 102 HA PRO 14 HA PRO 14 8.747 -13.273 -7.028 103 HB2 PRO 14 1HB PRO 14 8.190 -13.005 -4.444 104 HB3 PRO 14 2HB PRO 14 9.023 -14.460 -5.084 105 HG2 PRO 14 1HG PRO 14 10.245 -12.152 -3.653 106 HG3 PRO 14 2HG PRO 14 10.449 -13.890 -3.364 107 HD2 PRO 14 1HD PRO 14 12.084 -12.314 -4.985 108 HD3 PRO 14 2HD PRO 14 11.985 -14.090 -5.031 109 H ILE 15 H ILE 15 7.790 -11.404 -7.728 110 HA ILE 15 HA ILE 15 8.867 -8.968 -6.607 111 HB ILE 15 HB ILE 15 7.591 -9.499 -9.267 112 HG12 ILE 15 1HG1 ILE 15 9.565 -8.144 -10.143 113 HG13 ILE 15 2HG1 ILE 15 10.100 -7.979 -8.490 114 HG21 ILE 15 1HG2 ILE 15 7.397 -7.084 -9.725 115 HG22 ILE 15 2HG2 ILE 15 7.782 -6.760 -8.035 116 HG23 ILE 15 3HG2 ILE 15 6.313 -7.634 -8.450 117 HD11 ILE 15 3HD1 ILE 15 11.351 -9.637 -9.701 118 HD12 ILE 15 1HD1 ILE 15 9.867 -10.525 -10.044 119 HD13 ILE 15 2HD1 ILE 15 10.443 -10.382 -8.383 120 H GLN 16 H GLN 16 7.932 -7.835 -5.503 121 HA GLN 16 HA GLN 16 5.490 -9.025 -4.488 122 HB2 GLN 16 1HB GLN 16 6.449 -8.248 -2.186 123 HB3 GLN 16 2HB GLN 16 6.956 -9.730 -2.954 124 HG2 GLN 16 1HG GLN 16 8.942 -8.790 -2.154 125 HG3 GLN 16 2HG GLN 16 8.941 -8.400 -3.861 126 HE21 GLN 16 2HE2 GLN 16 8.744 -6.220 -4.460 127 HE22 GLN 16 1HE2 GLN 16 8.901 -4.918 -3.357 128 H TYR 17 H TYR 17 3.765 -7.986 -4.681 129 HA TYR 17 HA TYR 17 3.631 -5.185 -3.870 130 HB2 TYR 17 1HB TYR 17 2.172 -6.417 -6.237 131 HB3 TYR 17 2HB TYR 17 1.938 -4.793 -5.622 132 HD1 TYR 17 HD2 TYR 17 4.441 -3.557 -5.395 133 HD2 TYR 17 HD1 TYR 17 3.271 -6.486 -8.243 134 HE1 TYR 17 HE2 TYR 17 6.182 -2.748 -6.923 135 HE2 TYR 17 HE1 TYR 17 5.013 -5.683 -9.784 136 HH TYR 17 HH TYR 17 6.344 -3.704 -10.202 137 H ARG 18 H ARG 18 1.628 -4.643 -3.001 138 HA ARG 18 HA ARG 18 -0.345 -6.726 -2.601 139 HB2 ARG 18 1HB ARG 18 -0.483 -6.354 -0.167 140 HB3 ARG 18 2HB ARG 18 1.102 -6.950 -0.611 141 HG2 ARG 18 1HG ARG 18 1.993 -4.661 -0.422 142 HG3 ARG 18 2HG ARG 18 0.388 -4.100 0.051 143 HD2 ARG 18 1HD ARG 18 2.054 -6.140 1.529 144 HD3 ARG 18 2HD ARG 18 1.834 -4.467 2.009 145 HE ARG 18 HE ARG 18 -0.668 -5.729 1.728 146 HH11 ARG 18 1HH1 ARG 18 2.123 -5.669 3.924 147 HH12 ARG 18 2HH1 ARG 18 1.241 -6.142 5.284 148 HH21 ARG 18 1HH2 ARG 18 -1.874 -6.414 3.637 149 HH22 ARG 18 2HH2 ARG 18 -1.068 -6.596 5.115 150 H VAL 19 H VAL 19 -2.397 -5.848 -2.476 151 HA VAL 19 HA VAL 19 -2.447 -3.042 -3.264 152 HB VAL 19 HB VAL 19 -4.784 -3.340 -3.844 153 HG11 VAL 19 1HG1 VAL 19 -3.063 -5.549 -4.932 154 HG12 VAL 19 2HG1 VAL 19 -3.200 -3.893 -5.539 155 HG13 VAL 19 3HG1 VAL 19 -4.581 -4.985 -5.638 156 HG21 VAL 19 3HG2 VAL 19 -4.511 -6.176 -2.847 157 HG22 VAL 19 1HG2 VAL 19 -5.905 -5.498 -3.694 158 HG23 VAL 19 2HG2 VAL 19 -5.456 -4.882 -2.102 159 H CYS 20 H CYS 20 -3.792 -1.540 -2.414 160 HA CYS 20 HA CYS 20 -4.024 -1.694 0.465 161 HB2 CYS 20 1HB CYS 20 -3.194 0.372 -0.463 162 HB3 CYS 20 2HB CYS 20 -4.602 0.505 -1.515 163 H GLU 21 H GLU 21 -5.935 -1.722 1.585 164 HA GLU 21 HA GLU 21 -8.218 -2.826 0.334 165 HB2 GLU 21 1HB GLU 21 -7.657 -3.310 2.657 166 HB3 GLU 21 2HB GLU 21 -7.860 -1.625 3.090 167 HG2 GLU 21 1HG GLU 21 -9.738 -2.934 3.830 168 HG3 GLU 21 2HG GLU 21 -10.238 -1.776 2.600 169 H LYS 22 H LYS 22 -7.546 0.430 1.611 170 HA LYS 22 HA LYS 22 -10.104 1.429 0.847 171 HB2 LYS 22 1HB LYS 22 -7.586 2.877 1.642 172 HB3 LYS 22 2HB LYS 22 -9.082 3.701 1.264 173 HG2 LYS 22 1HG LYS 22 -10.173 2.525 3.130 174 HG3 LYS 22 2HG LYS 22 -8.632 1.758 3.528 175 HD2 LYS 22 1HD LYS 22 -7.643 4.035 3.839 176 HD3 LYS 22 2HD LYS 22 -9.225 4.715 3.510 177 HE2 LYS 22 1HE LYS 22 -8.653 2.814 5.780 178 HE3 LYS 22 2HE LYS 22 -8.726 4.564 5.940 179 HZ1 LYS 22 3HZ LYS 22 -10.824 3.592 6.586 180 HZ2 LYS 22 1HZ LYS 22 -10.953 2.769 5.132 181 HZ3 LYS 22 2HZ LYS 22 -11.063 4.435 5.159 182 H CYS 23 H CYS 23 -6.863 1.879 -0.536 183 HA CYS 23 HA CYS 23 -8.011 3.498 -2.632 184 HB2 CYS 23 1HB CYS 23 -5.127 2.681 -2.359 185 HB3 CYS 23 2HB CYS 23 -5.784 4.035 -3.272 186 H GLY 24 H GLY 24 -6.996 0.154 -2.354 187 HA2 GLY 24 1HA GLY 24 -7.378 -1.536 -3.856 188 HA3 GLY 24 2HA GLY 24 -7.880 -0.373 -5.064 189 H LYS 25 H LYS 25 -5.464 1.173 -4.845 190 HA LYS 25 HA LYS 25 -3.870 0.163 -6.841 191 HB2 LYS 25 1HB LYS 25 -3.311 2.141 -4.663 192 HB3 LYS 25 2HB LYS 25 -2.056 1.699 -5.801 193 HG2 LYS 25 1HG LYS 25 -4.739 2.789 -6.638 194 HG3 LYS 25 2HG LYS 25 -3.322 3.802 -6.335 195 HD2 LYS 25 1HD LYS 25 -2.080 2.503 -8.044 196 HD3 LYS 25 2HD LYS 25 -3.545 1.593 -8.391 197 HE2 LYS 25 1HE LYS 25 -3.269 4.583 -8.665 198 HE3 LYS 25 2HE LYS 25 -3.089 3.452 -9.996 199 HZ1 LYS 25 3HZ LYS 25 -5.281 4.329 -10.031 200 HZ2 LYS 25 1HZ LYS 25 -5.525 3.991 -8.395 201 HZ3 LYS 25 2HZ LYS 25 -5.407 2.729 -9.509 202 HA PRO 26 HA PRO 26 -1.270 -2.900 -4.815 203 HB2 PRO 26 1HB PRO 26 0.468 -2.945 -7.089 204 HB3 PRO 26 2HB PRO 26 -0.716 -4.146 -6.615 205 HG2 PRO 26 1HG PRO 26 -0.923 -2.509 -8.858 206 HG3 PRO 26 2HG PRO 26 -2.238 -3.431 -8.122 207 HD2 PRO 26 1HD PRO 26 -1.652 -0.533 -7.972 208 HD3 PRO 26 2HD PRO 26 -3.188 -1.408 -7.813 209 H LEU 27 H LEU 27 0.172 -2.385 -3.440 210 HA LEU 27 HA LEU 27 1.950 -0.086 -3.821 211 HB2 LEU 27 1HB LEU 27 1.486 -1.681 -1.336 212 HB3 LEU 27 2HB LEU 27 2.051 -0.035 -1.481 213 HG LEU 27 HG LEU 27 -0.761 -0.989 -1.979 214 HD11 LEU 27 1HD1 LEU 27 -0.185 -1.107 0.342 215 HD12 LEU 27 2HD1 LEU 27 -1.273 0.259 0.078 216 HD13 LEU 27 3HD1 LEU 27 0.448 0.536 0.304 217 HD21 LEU 27 3HD2 LEU 27 -1.328 1.390 -2.100 218 HD22 LEU 27 1HD2 LEU 27 -0.211 0.917 -3.378 219 HD23 LEU 27 2HD2 LEU 27 0.382 1.811 -1.973 220 H ALA 28 H ALA 28 4.217 -0.481 -3.343 221 HA ALA 28 HA ALA 28 5.213 -3.119 -3.720 222 HB1 ALA 28 3HB ALA 28 7.359 -2.178 -2.976 223 HB2 ALA 28 1HB ALA 28 6.537 -0.734 -2.384 224 HB3 ALA 28 2HB ALA 28 6.587 -1.078 -4.109 225 H LEU 29 H LEU 29 5.795 -4.615 -2.282 226 HA LEU 29 HA LEU 29 4.041 -5.211 -0.324 227 HB2 LEU 29 1HB LEU 29 5.855 -6.533 -1.505 228 HB3 LEU 29 2HB LEU 29 6.899 -6.077 -0.189 229 HG LEU 29 HG LEU 29 6.032 -8.354 0.030 230 HD11 LEU 29 1HD1 LEU 29 6.599 -7.196 2.072 231 HD12 LEU 29 2HD1 LEU 29 5.223 -8.268 2.322 232 HD13 LEU 29 3HD1 LEU 29 4.971 -6.529 2.160 233 HD21 LEU 29 3HD2 LEU 29 3.676 -8.749 0.477 234 HD22 LEU 29 1HD2 LEU 29 3.939 -8.049 -1.120 235 HD23 LEU 29 2HD2 LEU 29 3.338 -7.041 0.195 236 H THR 30 H THR 30 7.288 -3.819 0.408 237 HA THR 30 HA THR 30 6.365 -3.490 3.138 238 HB THR 30 HB THR 30 8.620 -4.491 2.818 239 HG1 THR 30 HG1 THR 30 8.801 -1.958 4.082 240 HG21 THR 30 3HG2 THR 30 10.516 -3.021 2.205 241 HG22 THR 30 1HG2 THR 30 9.369 -1.754 1.785 242 HG23 THR 30 2HG2 THR 30 9.402 -3.267 0.868 243 H ALA 31 H ALA 31 5.834 -1.722 0.563 244 HA ALA 31 HA ALA 31 6.495 0.880 1.723 245 HB1 ALA 31 3HB ALA 31 5.156 0.199 -0.901 246 HB2 ALA 31 1HB ALA 31 6.862 0.595 -0.689 247 HB3 ALA 31 2HB ALA 31 5.618 1.816 -0.375 248 H ILE 32 H ILE 32 4.226 -1.369 2.045 249 HA ILE 32 HA ILE 32 1.806 0.014 2.023 250 HB ILE 32 HB ILE 32 2.108 -2.467 2.130 251 HG12 ILE 32 1HG1 ILE 32 -0.143 -1.411 2.672 252 HG13 ILE 32 2HG1 ILE 32 0.090 -3.031 3.303 253 HG21 ILE 32 1HG2 ILE 32 3.792 -2.698 3.781 254 HG22 ILE 32 2HG2 ILE 32 2.374 -3.606 4.303 255 HG23 ILE 32 3HG2 ILE 32 2.737 -2.039 5.027 256 HD11 ILE 32 3HD1 ILE 32 0.274 -0.471 4.873 257 HD12 ILE 32 1HD1 ILE 32 0.488 -2.097 5.525 258 HD13 ILE 32 2HD1 ILE 32 -1.079 -1.605 4.878 259 H VAL 33 H VAL 33 4.357 -0.138 4.408 260 HA VAL 33 HA VAL 33 3.051 0.916 6.646 261 HB VAL 33 HB VAL 33 5.949 1.382 5.875 262 HG11 VAL 33 1HG1 VAL 33 6.345 1.587 8.289 263 HG12 VAL 33 2HG1 VAL 33 4.616 1.411 8.581 264 HG13 VAL 33 3HG1 VAL 33 5.218 2.812 7.701 265 HG21 VAL 33 3HG2 VAL 33 4.743 -0.892 7.450 266 HG22 VAL 33 1HG2 VAL 33 6.466 -0.624 7.195 267 HG23 VAL 33 2HG2 VAL 33 5.420 -1.008 5.826 268 H ASP 34 H ASP 34 5.158 2.637 4.348 269 HA ASP 34 HA ASP 34 4.662 5.245 5.258 270 HB2 ASP 34 1HB ASP 34 5.426 4.375 2.458 271 HB3 ASP 34 2HB ASP 34 5.542 6.014 3.080 272 H HIS 35 H HIS 35 3.215 3.365 2.671 273 HA HIS 35 HA HIS 35 1.497 5.312 1.724 274 HB2 HIS 35 1HB HIS 35 1.843 3.281 0.416 275 HB3 HIS 35 2HB HIS 35 1.161 2.296 1.702 276 HD1 HIS 35 HD1 HIS 35 0.161 4.423 -1.194 277 HD2 HIS 35 HD2 HIS 35 -1.601 2.445 1.972 278 HE1 HIS 35 HE1 HIS 35 -2.305 4.482 -1.675 279 H LEU 36 H LEU 36 0.837 2.811 4.212 280 HA LEU 36 HA LEU 36 -1.819 3.601 4.642 281 HB2 LEU 36 1HB LEU 36 -0.619 1.449 5.354 282 HB3 LEU 36 2HB LEU 36 0.023 2.353 6.695 283 HG LEU 36 HG LEU 36 -2.941 1.870 6.253 284 HD11 LEU 36 1HD1 LEU 36 -0.983 0.392 8.000 285 HD12 LEU 36 2HD1 LEU 36 -1.815 -0.240 6.578 286 HD13 LEU 36 3HD1 LEU 36 -2.732 0.183 8.020 287 HD21 LEU 36 3HD2 LEU 36 -3.181 2.494 8.585 288 HD22 LEU 36 1HD2 LEU 36 -2.400 3.802 7.699 289 HD23 LEU 36 2HD2 LEU 36 -1.440 2.731 8.728 290 H GLU 37 H GLU 37 1.227 4.746 5.978 291 HA GLU 37 HA GLU 37 0.110 6.416 7.947 292 HB2 GLU 37 1HB GLU 37 2.744 6.637 6.515 293 HB3 GLU 37 2HB GLU 37 2.273 7.645 7.870 294 HG2 GLU 37 1HG GLU 37 2.102 5.631 9.264 295 HG3 GLU 37 2HG GLU 37 2.654 4.672 7.887 296 H ASN 38 H ASN 38 0.627 6.995 4.430 297 HA ASN 38 HA ASN 38 -0.117 9.770 4.976 298 HB2 ASN 38 1HB ASN 38 2.146 9.646 4.186 299 HB3 ASN 38 2HB ASN 38 1.692 8.572 2.876 300 HD21 ASN 38 2HD2 ASN 38 0.941 9.448 0.984 301 HD22 ASN 38 1HD2 ASN 38 0.905 11.140 0.680 302 H HIS 39 H HIS 39 -1.488 7.061 3.930 303 HA HIS 39 HA HIS 39 -2.264 7.973 1.511 304 HB2 HIS 39 1HB HIS 39 -3.487 6.011 1.058 305 HB3 HIS 39 2HB HIS 39 -2.087 5.670 2.071 306 HD2 HIS 39 HD2 HIS 39 -3.840 6.247 4.963 307 HE1 HIS 39 HE1 HIS 39 -5.888 2.789 3.625 308 HE2 HIS 39 HE2 HIS 39 -5.172 4.148 5.608 309 H CYS 40 H CYS 40 -4.334 8.528 0.611 310 HA CYS 40 HA CYS 40 -6.018 10.052 2.429 311 HB2 CYS 40 1HB CYS 40 -5.102 11.152 0.396 312 HB3 CYS 40 2HB CYS 40 -5.900 9.949 -0.595 313 HG CYS 40 HG CYS 40 -8.481 10.770 0.190 314 H ALA 41 H ALA 41 -8.175 9.608 2.681 315 HA ALA 41 HA ALA 41 -9.152 7.047 1.782 316 HB1 ALA 41 3HB ALA 41 -11.195 7.678 3.020 317 HB2 ALA 41 1HB ALA 41 -10.509 9.273 3.315 318 HB3 ALA 41 2HB ALA 41 -9.751 7.842 4.018 319 H GLY 42 H GLY 42 -10.939 6.800 0.357 320 HA2 GLY 42 1HA GLY 42 -12.350 7.394 -1.366 321 HA3 GLY 42 2HA GLY 42 -12.035 9.083 -0.978 322 H ALA 43 H ALA 43 -9.327 7.070 -1.462 323 HA ALA 43 HA ALA 43 -8.826 8.398 -4.025 324 HB1 ALA 43 3HB ALA 43 -6.445 7.964 -3.577 325 HB2 ALA 43 1HB ALA 43 -6.880 7.210 -2.045 326 HB3 ALA 43 2HB ALA 43 -7.184 8.931 -2.297 327 H SER 44 H SER 44 -8.306 7.160 -5.788 328 HA SER 44 HA SER 44 -7.810 4.347 -5.509 329 HB2 SER 44 1HB SER 44 -10.125 5.423 -7.171 330 HB3 SER 44 2HB SER 44 -9.573 3.750 -7.149 331 HG SER 44 HG SER 44 -9.967 4.603 -4.665 Start of MODEL 14 1 H1 ASN 1 1H ASN 1 28.655 -13.607 -28.012 2 H2 ASN 1 2H ASN 1 27.548 -12.857 -29.049 3 H3 ASN 1 3H ASN 1 28.981 -13.484 -29.657 4 HA ASN 1 HA ASN 1 26.847 -15.092 -28.427 5 HB2 ASN 1 1HB ASN 1 26.162 -14.129 -30.606 6 HB3 ASN 1 2HB ASN 1 27.636 -14.731 -31.339 7 HD21 ASN 1 2HD2 ASN 1 24.801 -15.200 -31.992 8 HD22 ASN 1 1HD2 ASN 1 24.601 -16.899 -31.981 9 HA PRO 2 HA PRO 2 30.578 -17.610 -28.064 10 HB2 PRO 2 1HB PRO 2 29.475 -19.401 -26.285 11 HB3 PRO 2 2HB PRO 2 30.242 -17.886 -25.802 12 HG2 PRO 2 1HG PRO 2 27.359 -18.562 -26.037 13 HG3 PRO 2 2HG PRO 2 28.169 -17.490 -24.890 14 HD2 PRO 2 1HD PRO 2 26.737 -16.645 -27.070 15 HD3 PRO 2 2HD PRO 2 28.024 -15.692 -26.306 16 H ASN 3 H ASN 3 27.521 -19.397 -27.805 17 HA ASN 3 HA ASN 3 28.143 -20.858 -30.292 18 HB2 ASN 3 1HB ASN 3 27.371 -22.982 -29.255 19 HB3 ASN 3 2HB ASN 3 28.833 -22.362 -28.494 20 HD21 ASN 3 2HD2 ASN 3 28.756 -21.737 -26.376 21 HD22 ASN 3 1HD2 ASN 3 27.413 -22.021 -25.336 22 H ALA 4 H ALA 4 26.006 -19.063 -28.510 23 HA ALA 4 HA ALA 4 23.838 -19.356 -30.224 24 HB1 ALA 4 3HB ALA 4 23.606 -20.527 -27.432 25 HB2 ALA 4 1HB ALA 4 23.409 -21.408 -28.946 26 HB3 ALA 4 2HB ALA 4 22.236 -20.173 -28.486 27 H GLN 5 H GLN 5 22.038 -17.930 -29.146 28 HA GLN 5 HA GLN 5 23.371 -15.582 -28.206 29 HB2 GLN 5 1HB GLN 5 20.408 -16.135 -28.512 30 HB3 GLN 5 2HB GLN 5 21.120 -14.558 -28.202 31 HG2 GLN 5 1HG GLN 5 22.306 -14.689 -30.342 32 HG3 GLN 5 2HG GLN 5 21.540 -16.239 -30.661 33 HE21 GLN 5 2HE2 GLN 5 21.402 -13.805 -32.172 34 HE22 GLN 5 1HE2 GLN 5 19.726 -13.394 -32.287 35 H LEU 6 H LEU 6 24.029 -15.476 -26.242 36 HA LEU 6 HA LEU 6 22.514 -16.789 -24.120 37 HB2 LEU 6 1HB LEU 6 24.717 -17.731 -24.425 38 HB3 LEU 6 2HB LEU 6 25.444 -16.143 -24.367 39 HG LEU 6 HG LEU 6 24.793 -15.950 -21.982 40 HD11 LEU 6 1HD1 LEU 6 22.866 -17.411 -21.960 41 HD12 LEU 6 2HD1 LEU 6 24.051 -17.937 -20.767 42 HD13 LEU 6 3HD1 LEU 6 23.893 -18.802 -22.296 43 HD21 LEU 6 3HD2 LEU 6 26.434 -17.553 -21.123 44 HD22 LEU 6 1HD2 LEU 6 27.017 -16.744 -22.580 45 HD23 LEU 6 2HD2 LEU 6 26.417 -18.400 -22.669 46 H ILE 7 H ILE 7 21.371 -15.419 -22.998 47 HA ILE 7 HA ILE 7 22.668 -12.945 -22.132 48 HB ILE 7 HB ILE 7 19.665 -13.407 -22.385 49 HG12 ILE 7 1HG1 ILE 7 21.458 -11.609 -24.043 50 HG13 ILE 7 2HG1 ILE 7 20.698 -13.095 -24.603 51 HG21 ILE 7 1HG2 ILE 7 21.218 -10.932 -21.584 52 HG22 ILE 7 2HG2 ILE 7 20.258 -11.949 -20.511 53 HG23 ILE 7 3HG2 ILE 7 19.466 -11.015 -21.780 54 HD11 ILE 7 3HD1 ILE 7 19.471 -11.154 -25.395 55 HD12 ILE 7 1HD1 ILE 7 19.275 -10.586 -23.736 56 HD13 ILE 7 2HD1 ILE 7 18.501 -12.077 -24.250 57 H GLU 8 H GLU 8 23.490 -13.663 -20.307 58 HA GLU 8 HA GLU 8 22.497 -15.781 -18.756 59 HB2 GLU 8 1HB GLU 8 24.308 -13.524 -17.919 60 HB3 GLU 8 2HB GLU 8 24.033 -14.999 -17.013 61 HG2 GLU 8 1HG GLU 8 25.025 -16.300 -18.815 62 HG3 GLU 8 2HG GLU 8 25.275 -14.820 -19.741 63 H ASP 9 H ASP 9 20.757 -15.831 -17.695 64 HA ASP 9 HA ASP 9 19.234 -13.525 -17.020 65 HB2 ASP 9 1HB ASP 9 18.788 -16.449 -16.431 66 HB3 ASP 9 2HB ASP 9 17.655 -15.188 -15.971 67 HA PRO 10 HA PRO 10 20.880 -13.297 -12.831 68 HB2 PRO 10 1HB PRO 10 19.707 -10.681 -12.649 69 HB3 PRO 10 2HB PRO 10 21.417 -11.079 -12.798 70 HG2 PRO 10 1HG PRO 10 19.941 -9.791 -14.745 71 HG3 PRO 10 2HG PRO 10 21.436 -10.694 -15.048 72 HD2 PRO 10 1HD PRO 10 18.595 -11.532 -15.440 73 HD3 PRO 10 2HD PRO 10 20.038 -11.862 -16.436 74 H LEU 11 H LEU 11 19.746 -13.679 -10.947 75 HA LEU 11 HA LEU 11 16.914 -14.073 -11.215 76 HB2 LEU 11 1HB LEU 11 18.691 -14.345 -8.790 77 HB3 LEU 11 2HB LEU 11 17.026 -14.878 -8.895 78 HG LEU 11 HG LEU 11 19.353 -16.008 -10.447 79 HD11 LEU 11 1HD1 LEU 11 19.382 -16.618 -8.111 80 HD12 LEU 11 2HD1 LEU 11 18.956 -18.003 -9.117 81 HD13 LEU 11 3HD1 LEU 11 17.704 -17.148 -8.210 82 HD21 LEU 11 3HD2 LEU 11 16.450 -16.844 -10.420 83 HD22 LEU 11 1HD2 LEU 11 17.764 -17.709 -11.216 84 HD23 LEU 11 2HD2 LEU 11 17.306 -16.103 -11.774 85 H ASP 12 H ASP 12 15.763 -12.313 -11.290 86 HA ASP 12 HA ASP 12 16.402 -9.858 -10.080 87 HB2 ASP 12 1HB ASP 12 15.004 -9.918 -12.044 88 HB3 ASP 12 2HB ASP 12 13.814 -10.913 -11.220 89 H LYS 13 H LYS 13 15.594 -8.836 -8.336 90 HA LYS 13 HA LYS 13 14.986 -10.378 -5.968 91 HB2 LYS 13 1HB LYS 13 16.218 -8.033 -6.266 92 HB3 LYS 13 2HB LYS 13 14.538 -7.489 -6.383 93 HG2 LYS 13 1HG LYS 13 15.526 -8.961 -3.967 94 HG3 LYS 13 2HG LYS 13 15.732 -7.224 -4.162 95 HD2 LYS 13 1HD LYS 13 13.286 -7.001 -4.421 96 HD3 LYS 13 2HD LYS 13 13.125 -8.729 -4.119 97 HE2 LYS 13 1HE LYS 13 12.695 -7.471 -2.089 98 HE3 LYS 13 2HE LYS 13 14.164 -8.435 -1.921 99 HZ1 LYS 13 3HZ LYS 13 15.453 -6.413 -2.425 100 HZ2 LYS 13 1HZ LYS 13 14.475 -6.218 -1.054 101 HZ3 LYS 13 2HZ LYS 13 14.009 -5.545 -2.517 102 HA PRO 14 HA PRO 14 10.765 -10.308 -6.793 103 HB2 PRO 14 1HB PRO 14 9.988 -12.098 -5.022 104 HB3 PRO 14 2HB PRO 14 11.181 -12.487 -6.300 105 HG2 PRO 14 1HG PRO 14 11.754 -11.837 -3.442 106 HG3 PRO 14 2HG PRO 14 12.293 -13.235 -4.393 107 HD2 PRO 14 1HD PRO 14 13.739 -10.912 -4.098 108 HD3 PRO 14 2HD PRO 14 13.902 -12.041 -5.459 109 H ILE 15 H ILE 15 9.585 -8.699 -6.306 110 HA ILE 15 HA ILE 15 9.262 -7.850 -3.507 111 HB ILE 15 HB ILE 15 8.813 -6.167 -6.004 112 HG12 ILE 15 1HG1 ILE 15 11.093 -6.031 -4.008 113 HG13 ILE 15 2HG1 ILE 15 11.217 -6.658 -5.643 114 HG21 ILE 15 1HG2 ILE 15 7.395 -5.502 -4.128 115 HG22 ILE 15 2HG2 ILE 15 8.630 -4.277 -4.429 116 HG23 ILE 15 3HG2 ILE 15 8.810 -5.393 -3.080 117 HD11 ILE 15 3HD1 ILE 15 12.117 -4.415 -5.495 118 HD12 ILE 15 1HD1 ILE 15 10.578 -3.820 -4.874 119 HD13 ILE 15 2HD1 ILE 15 10.683 -4.436 -6.523 120 H GLN 16 H GLN 16 7.212 -7.856 -2.737 121 HA GLN 16 HA GLN 16 5.164 -8.775 -4.599 122 HB2 GLN 16 1HB GLN 16 5.454 -9.288 -1.644 123 HB3 GLN 16 2HB GLN 16 4.025 -9.730 -2.572 124 HG2 GLN 16 1HG GLN 16 6.822 -10.708 -3.126 125 HG3 GLN 16 2HG GLN 16 5.578 -11.621 -2.274 126 HE21 GLN 16 2HE2 GLN 16 6.524 -10.267 -5.343 127 HE22 GLN 16 1HE2 GLN 16 5.471 -11.181 -6.335 128 H TYR 17 H TYR 17 3.092 -7.976 -4.473 129 HA TYR 17 HA TYR 17 2.895 -5.311 -3.242 130 HB2 TYR 17 1HB TYR 17 1.929 -6.152 -5.986 131 HB3 TYR 17 2HB TYR 17 1.712 -4.570 -5.254 132 HD1 TYR 17 HD2 TYR 17 4.308 -6.939 -6.430 133 HD2 TYR 17 HD1 TYR 17 3.328 -2.896 -5.591 134 HE1 TYR 17 HE2 TYR 17 6.415 -6.265 -7.410 135 HE2 TYR 17 HE1 TYR 17 5.454 -2.177 -6.595 136 HH TYR 17 HH TYR 17 7.695 -3.126 -7.047 137 H ARG 18 H ARG 18 1.096 -5.041 -2.135 138 HA ARG 18 HA ARG 18 -1.154 -6.862 -2.652 139 HB2 ARG 18 1HB ARG 18 -1.897 -6.424 -0.306 140 HB3 ARG 18 2HB ARG 18 -0.370 -7.284 -0.396 141 HG2 ARG 18 1HG ARG 18 0.853 -5.352 0.257 142 HG3 ARG 18 2HG ARG 18 -0.552 -4.312 0.028 143 HD2 ARG 18 1HD ARG 18 -0.444 -6.557 2.026 144 HD3 ARG 18 2HD ARG 18 -0.026 -4.889 2.429 145 HE ARG 18 HE ARG 18 -2.382 -4.397 1.573 146 HH11 ARG 18 1HH1 ARG 18 -1.547 -7.361 3.331 147 HH12 ARG 18 2HH1 ARG 18 -3.105 -7.588 3.957 148 HH21 ARG 18 1HH2 ARG 18 -4.548 -4.722 2.451 149 HH22 ARG 18 2HH2 ARG 18 -4.822 -6.046 3.455 150 H VAL 19 H VAL 19 -3.023 -5.893 -3.271 151 HA VAL 19 HA VAL 19 -2.904 -3.067 -3.630 152 HB VAL 19 HB VAL 19 -5.219 -3.182 -4.499 153 HG11 VAL 19 1HG1 VAL 19 -4.759 -4.522 -6.490 154 HG12 VAL 19 2HG1 VAL 19 -3.370 -5.240 -5.677 155 HG13 VAL 19 3HG1 VAL 19 -3.394 -3.508 -6.030 156 HG21 VAL 19 3HG2 VAL 19 -6.329 -5.334 -4.814 157 HG22 VAL 19 1HG2 VAL 19 -6.094 -4.984 -3.103 158 HG23 VAL 19 2HG2 VAL 19 -5.040 -6.146 -3.919 159 H CYS 20 H CYS 20 -3.684 -1.526 -2.555 160 HA CYS 20 HA CYS 20 -4.472 -1.854 0.143 161 HB2 CYS 20 1HB CYS 20 -3.364 0.198 -0.614 162 HB3 CYS 20 2HB CYS 20 -4.719 0.548 -1.672 163 H GLU 21 H GLU 21 -6.370 -2.310 0.920 164 HA GLU 21 HA GLU 21 -8.640 -2.947 -0.564 165 HB2 GLU 21 1HB GLU 21 -8.862 -2.001 2.286 166 HB3 GLU 21 2HB GLU 21 -9.800 -3.234 1.470 167 HG2 GLU 21 1HG GLU 21 -8.452 -4.404 2.976 168 HG3 GLU 21 2HG GLU 21 -7.628 -4.594 1.426 169 H LYS 22 H LYS 22 -7.613 0.087 0.765 170 HA LYS 22 HA LYS 22 -10.219 1.319 0.472 171 HB2 LYS 22 1HB LYS 22 -8.680 1.750 2.405 172 HB3 LYS 22 2HB LYS 22 -7.576 2.533 1.303 173 HG2 LYS 22 1HG LYS 22 -10.390 3.521 1.773 174 HG3 LYS 22 2HG LYS 22 -9.032 4.024 2.760 175 HD2 LYS 22 1HD LYS 22 -7.935 4.896 0.706 176 HD3 LYS 22 2HD LYS 22 -9.383 4.468 -0.206 177 HE2 LYS 22 1HE LYS 22 -10.714 5.936 1.246 178 HE3 LYS 22 2HE LYS 22 -9.254 6.374 2.122 179 HZ1 LYS 22 3HZ LYS 22 -9.883 8.018 0.518 180 HZ2 LYS 22 1HZ LYS 22 -9.787 6.911 -0.744 181 HZ3 LYS 22 2HZ LYS 22 -8.374 7.358 0.078 182 H CYS 23 H CYS 23 -6.974 1.785 -0.918 183 HA CYS 23 HA CYS 23 -8.094 3.751 -2.755 184 HB2 CYS 23 1HB CYS 23 -5.214 2.943 -2.469 185 HB3 CYS 23 2HB CYS 23 -5.864 4.413 -3.194 186 H GLY 24 H GLY 24 -7.331 0.409 -2.886 187 HA2 GLY 24 1HA GLY 24 -7.174 -1.091 -4.543 188 HA3 GLY 24 2HA GLY 24 -8.034 0.031 -5.571 189 H LYS 25 H LYS 25 -4.894 0.250 -4.051 190 HA LYS 25 HA LYS 25 -3.615 0.330 -6.686 191 HB2 LYS 25 1HB LYS 25 -3.050 2.080 -4.304 192 HB3 LYS 25 2HB LYS 25 -1.957 1.921 -5.674 193 HG2 LYS 25 1HG LYS 25 -3.822 2.670 -7.152 194 HG3 LYS 25 2HG LYS 25 -4.765 3.004 -5.698 195 HD2 LYS 25 1HD LYS 25 -2.071 4.091 -6.249 196 HD3 LYS 25 2HD LYS 25 -3.528 4.964 -6.723 197 HE2 LYS 25 1HE LYS 25 -4.236 5.014 -4.353 198 HE3 LYS 25 2HE LYS 25 -2.759 4.176 -3.891 199 HZ1 LYS 25 3HZ LYS 25 -1.480 6.037 -4.616 200 HZ2 LYS 25 1HZ LYS 25 -2.649 6.571 -3.534 201 HZ3 LYS 25 2HZ LYS 25 -2.839 6.853 -5.192 202 HA PRO 26 HA PRO 26 -1.193 -2.928 -4.925 203 HB2 PRO 26 1HB PRO 26 0.888 -2.947 -6.666 204 HB3 PRO 26 2HB PRO 26 -0.712 -3.570 -7.084 205 HG2 PRO 26 1HG PRO 26 0.538 -0.943 -7.758 206 HG3 PRO 26 2HG PRO 26 -0.456 -2.002 -8.773 207 HD2 PRO 26 1HD PRO 26 -1.426 0.225 -7.532 208 HD3 PRO 26 2HD PRO 26 -2.422 -1.195 -7.902 209 H LEU 27 H LEU 27 -0.209 -2.591 -3.054 210 HA LEU 27 HA LEU 27 1.826 -0.507 -2.806 211 HB2 LEU 27 1HB LEU 27 0.760 -2.268 -0.624 212 HB3 LEU 27 2HB LEU 27 1.533 -0.709 -0.478 213 HG LEU 27 HG LEU 27 -1.267 -1.296 -1.384 214 HD11 LEU 27 1HD1 LEU 27 -1.864 0.051 0.589 215 HD12 LEU 27 2HD1 LEU 27 -0.152 0.171 0.979 216 HD13 LEU 27 3HD1 LEU 27 -0.944 -1.402 0.976 217 HD21 LEU 27 3HD2 LEU 27 -0.448 0.495 -2.764 218 HD22 LEU 27 1HD2 LEU 27 0.180 1.357 -1.352 219 HD23 LEU 27 2HD2 LEU 27 -1.560 1.145 -1.560 220 H ALA 28 H ALA 28 3.871 -1.200 -3.051 221 HA ALA 28 HA ALA 28 4.622 -3.951 -2.937 222 HB1 ALA 28 3HB ALA 28 6.928 -3.091 -3.045 223 HB2 ALA 28 1HB ALA 28 6.320 -1.453 -2.804 224 HB3 ALA 28 2HB ALA 28 5.897 -2.347 -4.268 225 H LEU 29 H LEU 29 5.768 -5.003 -1.279 226 HA LEU 29 HA LEU 29 5.150 -4.444 1.390 227 HB2 LEU 29 1HB LEU 29 7.558 -5.950 0.353 228 HB3 LEU 29 2HB LEU 29 6.975 -6.008 2.001 229 HG LEU 29 HG LEU 29 5.502 -7.034 -0.432 230 HD11 LEU 29 1HD1 LEU 29 5.918 -9.242 0.556 231 HD12 LEU 29 2HD1 LEU 29 6.895 -8.481 1.812 232 HD13 LEU 29 3HD1 LEU 29 7.412 -8.411 0.129 233 HD21 LEU 29 3HD2 LEU 29 4.779 -7.178 2.501 234 HD22 LEU 29 1HD2 LEU 29 3.920 -7.985 1.188 235 HD23 LEU 29 2HD2 LEU 29 3.946 -6.225 1.271 236 H THR 30 H THR 30 7.723 -3.241 -0.557 237 HA THR 30 HA THR 30 9.360 -2.137 1.434 238 HB THR 30 HB THR 30 8.985 -1.317 -1.445 239 HG1 THR 30 HG1 THR 30 10.431 -3.399 -0.198 240 HG21 THR 30 3HG2 THR 30 10.421 0.190 -0.141 241 HG22 THR 30 1HG2 THR 30 11.384 -0.735 -1.295 242 HG23 THR 30 2HG2 THR 30 11.369 -1.190 0.412 243 H ALA 31 H ALA 31 6.341 -1.058 -0.041 244 HA ALA 31 HA ALA 31 6.770 1.687 0.959 245 HB1 ALA 31 3HB ALA 31 5.265 2.426 -0.804 246 HB2 ALA 31 1HB ALA 31 5.080 0.762 -1.351 247 HB3 ALA 31 2HB ALA 31 6.649 1.555 -1.475 248 H ILE 32 H ILE 32 5.295 -0.986 1.874 249 HA ILE 32 HA ILE 32 2.587 -0.353 2.050 250 HB ILE 32 HB ILE 32 3.342 -2.657 2.321 251 HG12 ILE 32 1HG1 ILE 32 2.019 -3.349 4.306 252 HG13 ILE 32 2HG1 ILE 32 1.942 -1.665 4.813 253 HG21 ILE 32 1HG2 ILE 32 5.410 -2.328 3.501 254 HG22 ILE 32 2HG2 ILE 32 4.388 -3.460 4.382 255 HG23 ILE 32 3HG2 ILE 32 4.538 -1.790 4.936 256 HD11 ILE 32 3HD1 ILE 32 0.794 -2.796 2.272 257 HD12 ILE 32 1HD1 ILE 32 0.681 -1.121 2.806 258 HD13 ILE 32 2HD1 ILE 32 -0.111 -2.395 3.731 259 H VAL 33 H VAL 33 5.202 0.389 4.317 260 HA VAL 33 HA VAL 33 3.463 1.152 6.446 261 HB VAL 33 HB VAL 33 6.357 1.980 6.084 262 HG11 VAL 33 1HG1 VAL 33 5.197 3.208 7.816 263 HG12 VAL 33 2HG1 VAL 33 6.382 2.114 8.531 264 HG13 VAL 33 3HG1 VAL 33 4.668 1.704 8.563 265 HG21 VAL 33 3HG2 VAL 33 6.944 0.000 7.446 266 HG22 VAL 33 1HG2 VAL 33 6.234 -0.436 5.894 267 HG23 VAL 33 2HG2 VAL 33 5.261 -0.530 7.352 268 H ASP 34 H ASP 34 5.365 2.887 4.061 269 HA ASP 34 HA ASP 34 4.736 5.532 4.769 270 HB2 ASP 34 1HB ASP 34 5.404 4.330 2.085 271 HB3 ASP 34 2HB ASP 34 5.165 6.055 2.316 272 H HIS 35 H HIS 35 3.207 3.408 2.424 273 HA HIS 35 HA HIS 35 1.236 5.269 1.798 274 HB2 HIS 35 1HB HIS 35 1.718 3.442 0.258 275 HB3 HIS 35 2HB HIS 35 1.131 2.267 1.434 276 HD1 HIS 35 HD1 HIS 35 -0.053 4.594 -1.210 277 HD2 HIS 35 HD2 HIS 35 -1.642 2.368 1.891 278 HE1 HIS 35 HE1 HIS 35 -2.517 4.562 -1.647 279 H LEU 36 H LEU 36 0.980 2.459 4.100 280 HA LEU 36 HA LEU 36 -1.707 3.139 4.617 281 HB2 LEU 36 1HB LEU 36 -1.615 1.628 6.601 282 HB3 LEU 36 2HB LEU 36 -1.127 0.891 5.100 283 HG LEU 36 HG LEU 36 1.250 1.185 5.845 284 HD11 LEU 36 1HD1 LEU 36 -0.023 1.740 8.537 285 HD12 LEU 36 2HD1 LEU 36 0.957 2.862 7.592 286 HD13 LEU 36 3HD1 LEU 36 1.686 1.403 8.256 287 HD21 LEU 36 3HD2 LEU 36 -0.534 -0.571 7.504 288 HD22 LEU 36 1HD2 LEU 36 1.205 -0.780 7.307 289 HD23 LEU 36 2HD2 LEU 36 0.127 -0.953 5.919 290 H GLU 37 H GLU 37 1.180 4.418 5.939 291 HA GLU 37 HA GLU 37 -0.147 5.685 8.107 292 HB2 GLU 37 1HB GLU 37 2.185 5.160 8.323 293 HB3 GLU 37 2HB GLU 37 2.574 6.107 6.896 294 HG2 GLU 37 1HG GLU 37 1.937 8.146 8.042 295 HG3 GLU 37 2HG GLU 37 1.483 7.220 9.470 296 H ASN 38 H ASN 38 0.565 6.644 4.693 297 HA ASN 38 HA ASN 38 -0.162 9.357 5.481 298 HB2 ASN 38 1HB ASN 38 2.125 9.005 4.599 299 HB3 ASN 38 2HB ASN 38 1.423 8.349 3.133 300 HD21 ASN 38 2HD2 ASN 38 2.352 9.842 1.851 301 HD22 ASN 38 1HD2 ASN 38 1.888 11.495 1.776 302 H HIS 39 H HIS 39 -1.490 6.692 4.199 303 HA HIS 39 HA HIS 39 -2.451 7.960 2.035 304 HB2 HIS 39 1HB HIS 39 -3.660 6.024 1.344 305 HB3 HIS 39 2HB HIS 39 -2.230 5.533 2.239 306 HD2 HIS 39 HD2 HIS 39 -3.962 5.751 5.244 307 HE1 HIS 39 HE1 HIS 39 -6.054 2.480 3.554 308 HE2 HIS 39 HE2 HIS 39 -5.734 3.884 5.554 309 H CYS 40 H CYS 40 -4.851 8.405 1.586 310 HA CYS 40 HA CYS 40 -5.853 10.144 3.533 311 HB2 CYS 40 1HB CYS 40 -6.306 10.493 1.201 312 HB3 CYS 40 2HB CYS 40 -7.187 8.972 1.108 313 HG CYS 40 HG CYS 40 -8.480 11.743 1.328 314 H ALA 41 H ALA 41 -6.609 9.557 5.376 315 HA ALA 41 HA ALA 41 -8.387 7.252 5.555 316 HB1 ALA 41 3HB ALA 41 -6.451 7.161 7.044 317 HB2 ALA 41 1HB ALA 41 -7.942 7.322 7.973 318 HB3 ALA 41 2HB ALA 41 -6.899 8.725 7.733 319 H GLY 42 H GLY 42 -10.495 7.650 5.850 320 HA2 GLY 42 1HA GLY 42 -12.184 8.739 7.189 321 HA3 GLY 42 2HA GLY 42 -11.241 10.217 7.085 322 H ALA 43 H ALA 43 -10.754 9.754 4.188 323 HA ALA 43 HA ALA 43 -13.445 10.445 3.251 324 HB1 ALA 43 3HB ALA 43 -11.954 12.394 3.241 325 HB2 ALA 43 1HB ALA 43 -12.390 11.915 1.599 326 HB3 ALA 43 2HB ALA 43 -10.801 11.504 2.246 327 H SER 44 H SER 44 -14.171 9.389 1.501 328 HA SER 44 HA SER 44 -12.694 7.063 0.716 329 HB2 SER 44 1HB SER 44 -15.437 8.033 -0.125 330 HB3 SER 44 2HB SER 44 -14.780 6.415 -0.370 331 HG SER 44 HG SER 44 -15.704 7.660 1.941 Start of MODEL 15 1 H1 ASN 1 1H ASN 1 11.760 4.737 -31.999 2 H2 ASN 1 2H ASN 1 12.997 3.683 -31.486 3 H3 ASN 1 3H ASN 1 12.868 5.194 -30.811 4 HA ASN 1 HA ASN 1 10.810 4.651 -29.792 5 HB2 ASN 1 1HB ASN 1 10.012 3.034 -31.452 6 HB3 ASN 1 2HB ASN 1 11.339 1.956 -31.063 7 HD21 ASN 1 2HD2 ASN 1 9.225 3.707 -28.733 8 HD22 ASN 1 1HD2 ASN 1 8.588 2.246 -28.084 9 HA PRO 2 HA PRO 2 14.163 3.909 -26.844 10 HB2 PRO 2 1HB PRO 2 12.617 4.340 -24.596 11 HB3 PRO 2 2HB PRO 2 13.402 5.618 -25.528 12 HG2 PRO 2 1HG PRO 2 10.574 4.663 -25.634 13 HG3 PRO 2 2HG PRO 2 11.196 6.320 -25.685 14 HD2 PRO 2 1HD PRO 2 10.386 5.055 -27.878 15 HD3 PRO 2 2HD PRO 2 11.778 6.163 -27.930 16 H ASN 3 H ASN 3 10.923 2.531 -26.406 17 HA ASN 3 HA ASN 3 12.068 -0.054 -25.999 18 HB2 ASN 3 1HB ASN 3 10.920 -0.530 -23.868 19 HB3 ASN 3 2HB ASN 3 12.046 0.800 -23.661 20 HD21 ASN 3 2HD2 ASN 3 11.237 2.844 -23.215 21 HD22 ASN 3 1HD2 ASN 3 9.605 3.160 -22.802 22 H ALA 4 H ALA 4 10.853 -1.433 -27.035 23 HA ALA 4 HA ALA 4 8.361 -0.620 -28.193 24 HB1 ALA 4 3HB ALA 4 9.910 -2.123 -29.387 25 HB2 ALA 4 1HB ALA 4 8.333 -2.883 -29.157 26 HB3 ALA 4 2HB ALA 4 9.692 -3.338 -28.129 27 H GLN 5 H GLN 5 9.458 -2.887 -25.800 28 HA GLN 5 HA GLN 5 6.768 -2.960 -24.656 29 HB2 GLN 5 1HB GLN 5 7.315 -5.233 -23.838 30 HB3 GLN 5 2HB GLN 5 7.342 -5.152 -25.592 31 HG2 GLN 5 1HG GLN 5 9.793 -4.960 -25.515 32 HG3 GLN 5 2HG GLN 5 9.729 -5.138 -23.764 33 HE21 GLN 5 2HE2 GLN 5 9.252 -7.172 -22.881 34 HE22 GLN 5 1HE2 GLN 5 9.315 -8.591 -23.853 35 H LEU 6 H LEU 6 6.804 -3.082 -22.324 36 HA LEU 6 HA LEU 6 8.936 -1.449 -21.298 37 HB2 LEU 6 1HB LEU 6 6.596 -0.975 -20.715 38 HB3 LEU 6 2HB LEU 6 6.465 -2.555 -19.968 39 HG LEU 6 HG LEU 6 8.096 -1.893 -18.263 40 HD11 LEU 6 1HD1 LEU 6 8.772 0.447 -18.089 41 HD12 LEU 6 2HD1 LEU 6 8.040 0.766 -19.668 42 HD13 LEU 6 3HD1 LEU 6 9.416 -0.330 -19.532 43 HD21 LEU 6 3HD2 LEU 6 5.717 -1.549 -17.848 44 HD22 LEU 6 1HD2 LEU 6 5.815 0.049 -18.590 45 HD23 LEU 6 2HD2 LEU 6 6.684 -0.281 -17.091 46 H ILE 7 H ILE 7 10.688 -2.295 -20.455 47 HA ILE 7 HA ILE 7 10.578 -5.057 -19.536 48 HB ILE 7 HB ILE 7 12.151 -4.715 -21.367 49 HG12 ILE 7 1HG1 ILE 7 13.642 -5.119 -18.756 50 HG13 ILE 7 2HG1 ILE 7 12.754 -6.360 -19.625 51 HG21 ILE 7 1HG2 ILE 7 12.624 -2.369 -21.156 52 HG22 ILE 7 2HG2 ILE 7 14.142 -3.274 -21.134 53 HG23 ILE 7 3HG2 ILE 7 13.471 -2.641 -19.634 54 HD11 ILE 7 3HD1 ILE 7 14.312 -6.162 -21.499 55 HD12 ILE 7 1HD1 ILE 7 15.147 -6.557 -19.997 56 HD13 ILE 7 2HD1 ILE 7 15.199 -4.913 -20.628 57 H GLU 8 H GLU 8 10.921 -5.544 -17.502 58 HA GLU 8 HA GLU 8 11.123 -3.456 -15.559 59 HB2 GLU 8 1HB GLU 8 9.680 -5.483 -15.283 60 HB3 GLU 8 2HB GLU 8 11.130 -6.463 -15.223 61 HG2 GLU 8 1HG GLU 8 11.807 -5.401 -13.160 62 HG3 GLU 8 2HG GLU 8 10.420 -4.318 -13.237 63 H ASP 9 H ASP 9 12.776 -3.304 -13.984 64 HA ASP 9 HA ASP 9 15.428 -3.783 -15.014 65 HB2 ASP 9 1HB ASP 9 14.660 -2.855 -12.228 66 HB3 ASP 9 2HB ASP 9 16.216 -2.677 -13.006 67 HA PRO 10 HA PRO 10 15.837 -7.784 -13.120 68 HB2 PRO 10 1HB PRO 10 18.527 -7.677 -12.435 69 HB3 PRO 10 2HB PRO 10 17.908 -8.157 -14.020 70 HG2 PRO 10 1HG PRO 10 19.005 -5.539 -13.122 71 HG3 PRO 10 2HG PRO 10 19.186 -6.352 -14.685 72 HD2 PRO 10 1HD PRO 10 17.502 -4.278 -14.338 73 HD3 PRO 10 2HD PRO 10 17.131 -5.612 -15.448 74 H LEU 11 H LEU 11 15.180 -8.285 -11.153 75 HA LEU 11 HA LEU 11 15.972 -6.557 -8.916 76 HB2 LEU 11 1HB LEU 11 13.444 -8.146 -9.320 77 HB3 LEU 11 2HB LEU 11 13.845 -7.282 -7.854 78 HG LEU 11 HG LEU 11 13.392 -6.008 -10.561 79 HD11 LEU 11 1HD1 LEU 11 11.329 -5.148 -9.565 80 HD12 LEU 11 2HD1 LEU 11 11.644 -6.089 -8.108 81 HD13 LEU 11 3HD1 LEU 11 11.333 -6.910 -9.639 82 HD21 LEU 11 3HD2 LEU 11 14.945 -4.713 -9.219 83 HD22 LEU 11 1HD2 LEU 11 13.846 -4.792 -7.838 84 HD23 LEU 11 2HD2 LEU 11 13.378 -3.908 -9.287 85 H ASP 12 H ASP 12 17.450 -7.509 -7.716 86 HA ASP 12 HA ASP 12 17.831 -10.309 -7.424 87 HB2 ASP 12 1HB ASP 12 19.658 -8.800 -6.897 88 HB3 ASP 12 2HB ASP 12 18.689 -7.993 -5.667 89 H LYS 13 H LYS 13 16.381 -7.883 -5.379 90 HA LYS 13 HA LYS 13 15.209 -9.826 -3.521 91 HB2 LYS 13 1HB LYS 13 14.820 -6.870 -3.832 92 HB3 LYS 13 2HB LYS 13 14.149 -7.861 -2.553 93 HG2 LYS 13 1HG LYS 13 16.544 -8.332 -1.844 94 HG3 LYS 13 2HG LYS 13 17.059 -7.183 -3.075 95 HD2 LYS 13 1HD LYS 13 17.015 -6.054 -0.947 96 HD3 LYS 13 2HD LYS 13 15.694 -5.436 -1.936 97 HE2 LYS 13 1HE LYS 13 14.929 -5.792 0.338 98 HE3 LYS 13 2HE LYS 13 14.127 -6.929 -0.733 99 HZ1 LYS 13 3HZ LYS 13 16.419 -7.508 1.074 100 HZ2 LYS 13 1HZ LYS 13 15.781 -8.630 -0.007 101 HZ3 LYS 13 2HZ LYS 13 14.851 -8.056 1.263 102 HA PRO 14 HA PRO 14 11.590 -10.059 -5.731 103 HB2 PRO 14 1HB PRO 14 10.207 -11.633 -4.082 104 HB3 PRO 14 2HB PRO 14 11.742 -12.155 -4.845 105 HG2 PRO 14 1HG PRO 14 11.371 -11.120 -2.071 106 HG3 PRO 14 2HG PRO 14 12.145 -12.631 -2.598 107 HD2 PRO 14 1HD PRO 14 13.515 -10.313 -2.148 108 HD3 PRO 14 2HD PRO 14 14.035 -11.565 -3.299 109 H ILE 15 H ILE 15 10.286 -8.458 -5.846 110 HA ILE 15 HA ILE 15 9.327 -7.137 -3.408 111 HB ILE 15 HB ILE 15 9.461 -5.973 -6.155 112 HG12 ILE 15 1HG1 ILE 15 11.372 -5.522 -3.839 113 HG13 ILE 15 2HG1 ILE 15 11.742 -6.414 -5.306 114 HG21 ILE 15 1HG2 ILE 15 8.960 -4.705 -3.448 115 HG22 ILE 15 2HG2 ILE 15 7.777 -4.917 -4.738 116 HG23 ILE 15 3HG2 ILE 15 9.122 -3.795 -4.949 117 HD11 ILE 15 3HD1 ILE 15 11.137 -3.474 -5.116 118 HD12 ILE 15 1HD1 ILE 15 11.498 -4.348 -6.605 119 HD13 ILE 15 2HD1 ILE 15 12.730 -4.201 -5.351 120 H GLN 16 H GLN 16 7.547 -7.974 -3.072 121 HA GLN 16 HA GLN 16 5.652 -8.609 -5.191 122 HB2 GLN 16 1HB GLN 16 5.379 -9.140 -2.223 123 HB3 GLN 16 2HB GLN 16 4.335 -9.773 -3.486 124 HG2 GLN 16 1HG GLN 16 7.231 -10.455 -2.994 125 HG3 GLN 16 2HG GLN 16 5.834 -11.510 -2.807 126 HE21 GLN 16 2HE2 GLN 16 4.615 -10.588 -5.334 127 HE22 GLN 16 1HE2 GLN 16 5.548 -11.279 -6.603 128 H TYR 17 H TYR 17 3.343 -7.928 -4.879 129 HA TYR 17 HA TYR 17 3.344 -5.185 -3.848 130 HB2 TYR 17 1HB TYR 17 1.946 -6.173 -6.350 131 HB3 TYR 17 2HB TYR 17 1.956 -4.521 -5.742 132 HD1 TYR 17 HD2 TYR 17 3.986 -3.129 -5.947 133 HD2 TYR 17 HD1 TYR 17 3.854 -7.096 -7.480 134 HE1 TYR 17 HE2 TYR 17 6.039 -2.697 -7.241 135 HE2 TYR 17 HE1 TYR 17 5.875 -6.702 -8.752 136 HH TYR 17 HH TYR 17 7.849 -3.918 -8.239 137 H ARG 18 H ARG 18 1.596 -4.552 -2.771 138 HA ARG 18 HA ARG 18 -0.515 -6.538 -2.309 139 HB2 ARG 18 1HB ARG 18 1.092 -6.452 -0.441 140 HB3 ARG 18 2HB ARG 18 0.866 -4.720 -0.319 141 HG2 ARG 18 1HG ARG 18 -1.433 -5.050 0.371 142 HG3 ARG 18 2HG ARG 18 -1.254 -6.794 0.170 143 HD2 ARG 18 1HD ARG 18 0.269 -5.051 2.112 144 HD3 ARG 18 2HD ARG 18 -1.012 -6.193 2.524 145 HE ARG 18 HE ARG 18 0.773 -7.740 1.236 146 HH11 ARG 18 1HH1 ARG 18 1.003 -5.668 4.084 147 HH12 ARG 18 2HH1 ARG 18 2.436 -6.383 4.670 148 HH21 ARG 18 1HH2 ARG 18 2.670 -8.784 2.061 149 HH22 ARG 18 2HH2 ARG 18 3.390 -8.265 3.514 150 H VAL 19 H VAL 19 -2.559 -5.656 -2.416 151 HA VAL 19 HA VAL 19 -2.628 -2.790 -2.974 152 HB VAL 19 HB VAL 19 -4.834 -3.070 -3.940 153 HG11 VAL 19 1HG1 VAL 19 -4.316 -4.467 -5.891 154 HG12 VAL 19 2HG1 VAL 19 -2.860 -5.031 -5.063 155 HG13 VAL 19 3HG1 VAL 19 -3.054 -3.320 -5.462 156 HG21 VAL 19 3HG2 VAL 19 -5.912 -5.221 -4.262 157 HG22 VAL 19 1HG2 VAL 19 -5.694 -4.887 -2.549 158 HG23 VAL 19 2HG2 VAL 19 -4.623 -6.033 -3.367 159 H CYS 20 H CYS 20 -3.805 -1.451 -1.889 160 HA CYS 20 HA CYS 20 -4.774 -2.229 0.748 161 HB2 CYS 20 1HB CYS 20 -3.476 -0.183 0.470 162 HB3 CYS 20 2HB CYS 20 -4.595 0.389 -0.747 163 H GLU 21 H GLU 21 -7.000 -2.397 1.215 164 HA GLU 21 HA GLU 21 -8.595 -3.062 -0.981 165 HB2 GLU 21 1HB GLU 21 -10.331 -3.632 0.466 166 HB3 GLU 21 2HB GLU 21 -8.829 -4.087 1.233 167 HG2 GLU 21 1HG GLU 21 -10.585 -1.746 1.924 168 HG3 GLU 21 2HG GLU 21 -10.361 -3.311 2.720 169 H LYS 22 H LYS 22 -8.872 -0.266 1.135 170 HA LYS 22 HA LYS 22 -11.141 0.786 -0.146 171 HB2 LYS 22 1HB LYS 22 -10.644 2.872 1.105 172 HB3 LYS 22 2HB LYS 22 -10.611 1.435 2.110 173 HG2 LYS 22 1HG LYS 22 -8.143 1.444 2.014 174 HG3 LYS 22 2HG LYS 22 -8.203 2.905 1.036 175 HD2 LYS 22 1HD LYS 22 -7.728 3.495 3.320 176 HD3 LYS 22 2HD LYS 22 -9.344 4.055 2.911 177 HE2 LYS 22 1HE LYS 22 -9.310 3.059 5.131 178 HE3 LYS 22 2HE LYS 22 -10.307 2.098 4.047 179 HZ1 LYS 22 3HZ LYS 22 -7.508 1.449 4.853 180 HZ2 LYS 22 1HZ LYS 22 -8.459 0.496 3.832 181 HZ3 LYS 22 2HZ LYS 22 -8.885 0.736 5.438 182 H CYS 23 H CYS 23 -7.738 1.558 -0.534 183 HA CYS 23 HA CYS 23 -8.284 3.600 -2.462 184 HB2 CYS 23 1HB CYS 23 -5.655 2.310 -1.752 185 HB3 CYS 23 2HB CYS 23 -5.882 3.826 -2.607 186 H GLY 24 H GLY 24 -7.422 0.167 -2.590 187 HA2 GLY 24 1HA GLY 24 -7.195 -1.282 -4.307 188 HA3 GLY 24 2HA GLY 24 -7.934 -0.104 -5.379 189 H LYS 25 H LYS 25 -5.254 0.710 -3.498 190 HA LYS 25 HA LYS 25 -3.634 1.216 -5.877 191 HB2 LYS 25 1HB LYS 25 -4.208 2.974 -4.072 192 HB3 LYS 25 2HB LYS 25 -3.139 2.086 -3.016 193 HG2 LYS 25 1HG LYS 25 -2.308 3.433 -5.596 194 HG3 LYS 25 2HG LYS 25 -2.149 4.141 -3.999 195 HD2 LYS 25 1HD LYS 25 -0.653 2.229 -3.391 196 HD3 LYS 25 2HD LYS 25 -0.743 1.690 -5.065 197 HE2 LYS 25 1HE LYS 25 0.378 4.334 -4.090 198 HE3 LYS 25 2HE LYS 25 1.293 2.972 -4.712 199 HZ1 LYS 25 3HZ LYS 25 -0.685 4.526 -6.298 200 HZ2 LYS 25 1HZ LYS 25 0.311 3.305 -6.874 201 HZ3 LYS 25 2HZ LYS 25 0.972 4.748 -6.361 202 HA PRO 26 HA PRO 26 -1.226 -2.281 -4.445 203 HB2 PRO 26 1HB PRO 26 0.316 -2.421 -6.718 204 HB3 PRO 26 2HB PRO 26 -1.243 -3.217 -6.536 205 HG2 PRO 26 1HG PRO 26 -0.529 -0.939 -8.186 206 HG3 PRO 26 2HG PRO 26 -2.011 -1.900 -8.196 207 HD2 PRO 26 1HD PRO 26 -1.572 0.719 -7.063 208 HD3 PRO 26 2HD PRO 26 -3.078 -0.211 -7.182 209 H LEU 27 H LEU 27 0.328 -1.942 -3.093 210 HA LEU 27 HA LEU 27 2.479 -0.156 -3.869 211 HB2 LEU 27 1HB LEU 27 2.911 0.182 -1.368 212 HB3 LEU 27 2HB LEU 27 1.556 1.022 -2.057 213 HG LEU 27 HG LEU 27 1.191 0.187 0.255 214 HD11 LEU 27 1HD1 LEU 27 -1.028 -0.761 -0.059 215 HD12 LEU 27 2HD1 LEU 27 -0.682 -0.977 -1.773 216 HD13 LEU 27 3HD1 LEU 27 -0.728 0.645 -1.079 217 HD21 LEU 27 3HD2 LEU 27 0.721 -2.197 0.640 218 HD22 LEU 27 1HD2 LEU 27 2.408 -1.919 0.191 219 HD23 LEU 27 2HD2 LEU 27 1.259 -2.545 -0.997 220 H ALA 28 H ALA 28 4.553 -0.713 -2.786 221 HA ALA 28 HA ALA 28 5.066 -3.486 -3.293 222 HB1 ALA 28 3HB ALA 28 6.868 -1.325 -2.179 223 HB2 ALA 28 1HB ALA 28 6.719 -1.769 -3.880 224 HB3 ALA 28 2HB ALA 28 7.392 -2.918 -2.723 225 H LEU 29 H LEU 29 5.754 -5.003 -1.757 226 HA LEU 29 HA LEU 29 4.421 -5.083 0.677 227 HB2 LEU 29 1HB LEU 29 5.587 -7.084 1.192 228 HB3 LEU 29 2HB LEU 29 5.389 -7.056 -0.538 229 HG LEU 29 HG LEU 29 7.947 -6.512 0.981 230 HD11 LEU 29 1HD1 LEU 29 8.729 -8.590 -0.034 231 HD12 LEU 29 2HD1 LEU 29 7.128 -8.843 -0.730 232 HD13 LEU 29 3HD1 LEU 29 7.340 -8.837 1.021 233 HD21 LEU 29 3HD2 LEU 29 7.958 -5.189 -1.054 234 HD22 LEU 29 1HD2 LEU 29 7.486 -6.597 -2.006 235 HD23 LEU 29 2HD2 LEU 29 9.065 -6.551 -1.226 236 H THR 30 H THR 30 7.476 -3.610 -0.037 237 HA THR 30 HA THR 30 8.321 -3.322 2.670 238 HB THR 30 HB THR 30 9.985 -1.810 1.318 239 HG1 THR 30 HG1 THR 30 9.932 -2.149 -0.868 240 HG21 THR 30 3HG2 THR 30 11.280 -3.822 0.707 241 HG22 THR 30 1HG2 THR 30 9.830 -4.810 0.901 242 HG23 THR 30 2HG2 THR 30 10.550 -4.016 2.300 243 H ALA 31 H ALA 31 6.609 -1.484 0.233 244 HA ALA 31 HA ALA 31 7.005 1.078 1.571 245 HB1 ALA 31 3HB ALA 31 7.250 0.944 -0.865 246 HB2 ALA 31 1HB ALA 31 5.966 2.060 -0.396 247 HB3 ALA 31 2HB ALA 31 5.559 0.455 -1.001 248 H ILE 32 H ILE 32 5.034 -1.349 2.126 249 HA ILE 32 HA ILE 32 2.434 -0.390 2.113 250 HB ILE 32 HB ILE 32 2.793 -2.727 2.592 251 HG12 ILE 32 1HG1 ILE 32 1.402 -3.093 4.615 252 HG13 ILE 32 2HG1 ILE 32 1.607 -1.402 5.046 253 HG21 ILE 32 1HG2 ILE 32 4.913 -2.629 3.716 254 HG22 ILE 32 2HG2 ILE 32 3.758 -3.539 4.695 255 HG23 ILE 32 3HG2 ILE 32 4.164 -1.877 5.123 256 HD11 ILE 32 3HD1 ILE 32 0.403 -0.765 3.001 257 HD12 ILE 32 1HD1 ILE 32 -0.563 -1.787 4.061 258 HD13 ILE 32 2HD1 ILE 32 0.173 -2.478 2.621 259 H VAL 33 H VAL 33 4.913 0.060 4.575 260 HA VAL 33 HA VAL 33 3.196 1.309 6.417 261 HB VAL 33 HB VAL 33 5.247 2.134 7.568 262 HG11 VAL 33 1HG1 VAL 33 4.334 -0.052 8.101 263 HG12 VAL 33 2HG1 VAL 33 6.095 -0.086 8.189 264 HG13 VAL 33 3HG1 VAL 33 5.268 -0.779 6.793 265 HG21 VAL 33 3HG2 VAL 33 6.705 0.738 5.320 266 HG22 VAL 33 1HG2 VAL 33 7.449 1.388 6.783 267 HG23 VAL 33 2HG2 VAL 33 6.684 2.476 5.622 268 H ASP 34 H ASP 34 5.194 2.627 3.844 269 HA ASP 34 HA ASP 34 4.826 5.350 4.490 270 HB2 ASP 34 1HB ASP 34 5.373 4.028 1.823 271 HB3 ASP 34 2HB ASP 34 5.357 5.770 2.063 272 H HIS 35 H HIS 35 3.192 3.229 2.191 273 HA HIS 35 HA HIS 35 1.238 5.065 1.395 274 HB2 HIS 35 1HB HIS 35 1.459 2.994 0.116 275 HB3 HIS 35 2HB HIS 35 1.016 2.038 1.525 276 HD1 HIS 35 HD1 HIS 35 -0.506 3.990 -1.276 277 HD2 HIS 35 HD2 HIS 35 -1.743 2.240 2.279 278 HE1 HIS 35 HE1 HIS 35 -2.994 3.913 -1.434 279 H LEU 36 H LEU 36 1.094 2.625 3.976 280 HA LEU 36 HA LEU 36 -1.567 3.168 4.635 281 HB2 LEU 36 1HB LEU 36 -0.221 1.135 5.230 282 HB3 LEU 36 2HB LEU 36 0.551 2.081 6.483 283 HG LEU 36 HG LEU 36 -1.772 2.507 7.371 284 HD11 LEU 36 1HD1 LEU 36 -3.469 0.839 6.831 285 HD12 LEU 36 2HD1 LEU 36 -2.441 0.242 5.527 286 HD13 LEU 36 3HD1 LEU 36 -3.074 1.888 5.474 287 HD21 LEU 36 3HD2 LEU 36 -0.686 -0.312 7.421 288 HD22 LEU 36 1HD2 LEU 36 -1.837 0.358 8.574 289 HD23 LEU 36 2HD2 LEU 36 -0.201 1.008 8.484 290 H GLU 37 H GLU 37 1.445 4.640 5.656 291 HA GLU 37 HA GLU 37 0.340 6.127 7.781 292 HB2 GLU 37 1HB GLU 37 2.757 5.632 7.537 293 HB3 GLU 37 2HB GLU 37 2.807 6.716 6.154 294 HG2 GLU 37 1HG GLU 37 1.958 8.519 7.680 295 HG3 GLU 37 2HG GLU 37 2.248 7.410 9.015 296 H ASN 38 H ASN 38 0.749 6.839 4.221 297 HA ASN 38 HA ASN 38 -0.240 9.487 4.909 298 HB2 ASN 38 1HB ASN 38 0.929 10.392 2.957 299 HB3 ASN 38 2HB ASN 38 2.042 9.646 4.090 300 HD21 ASN 38 2HD2 ASN 38 3.617 9.433 2.516 301 HD22 ASN 38 1HD2 ASN 38 3.540 8.275 1.244 302 H HIS 39 H HIS 39 -1.415 6.819 3.874 303 HA HIS 39 HA HIS 39 -2.389 7.637 1.516 304 HB2 HIS 39 1HB HIS 39 -3.777 5.675 1.340 305 HB3 HIS 39 2HB HIS 39 -2.269 5.314 2.169 306 HD2 HIS 39 HD2 HIS 39 -3.689 6.184 5.228 307 HE1 HIS 39 HE1 HIS 39 -5.913 2.672 4.405 308 HE2 HIS 39 HE2 HIS 39 -5.357 4.425 6.094 309 H CYS 40 H CYS 40 -4.663 8.170 0.904 310 HA CYS 40 HA CYS 40 -5.790 10.082 2.701 311 HB2 CYS 40 1HB CYS 40 -6.790 9.086 0.029 312 HB3 CYS 40 2HB CYS 40 -7.313 10.543 0.864 313 HG CYS 40 HG CYS 40 -4.165 10.910 0.683 314 H ALA 41 H ALA 41 -7.024 9.405 4.344 315 HA ALA 41 HA ALA 41 -8.596 6.987 4.046 316 HB1 ALA 41 3HB ALA 41 -8.942 7.181 6.461 317 HB2 ALA 41 1HB ALA 41 -8.108 8.737 6.461 318 HB3 ALA 41 2HB ALA 41 -7.225 7.266 6.068 319 H GLY 42 H GLY 42 -10.696 7.078 3.596 320 HA2 GLY 42 1HA GLY 42 -12.875 7.951 3.869 321 HA3 GLY 42 2HA GLY 42 -12.172 9.535 4.198 322 H ALA 43 H ALA 43 -10.294 8.847 1.885 323 HA ALA 43 HA ALA 43 -12.158 9.560 -0.262 324 HB1 ALA 43 3HB ALA 43 -10.348 10.860 -1.278 325 HB2 ALA 43 1HB ALA 43 -9.279 10.415 0.052 326 HB3 ALA 43 2HB ALA 43 -10.684 11.438 0.354 327 H SER 44 H SER 44 -12.442 7.604 -1.174 328 HA SER 44 HA SER 44 -10.234 6.467 -2.540 329 HB2 SER 44 1HB SER 44 -10.733 4.164 -1.437 330 HB3 SER 44 2HB SER 44 -9.739 5.320 -0.553 331 HG SER 44 HG SER 44 -12.518 4.875 -0.220 Start of MODEL 16 1 H1 ASN 1 1H ASN 1 48.205 -4.756 -13.070 2 H2 ASN 1 2H ASN 1 47.792 -6.366 -13.329 3 H3 ASN 1 3H ASN 1 48.267 -5.826 -11.791 4 HA ASN 1 HA ASN 1 45.856 -4.931 -13.189 5 HB2 ASN 1 1HB ASN 1 46.181 -6.786 -10.803 6 HB3 ASN 1 2HB ASN 1 44.649 -6.165 -11.391 7 HD21 ASN 1 2HD2 ASN 1 43.864 -8.226 -11.740 8 HD22 ASN 1 1HD2 ASN 1 44.397 -9.201 -13.065 9 HA PRO 2 HA PRO 2 46.446 -1.612 -10.218 10 HB2 PRO 2 1HB PRO 2 43.627 -0.903 -10.536 11 HB3 PRO 2 2HB PRO 2 45.053 -0.017 -11.076 12 HG2 PRO 2 1HG PRO 2 43.334 -1.221 -12.790 13 HG3 PRO 2 2HG PRO 2 45.061 -1.035 -13.137 14 HD2 PRO 2 1HD PRO 2 43.574 -3.434 -12.157 15 HD3 PRO 2 2HD PRO 2 44.868 -3.301 -13.376 16 H ASN 3 H ASN 3 46.251 -3.883 -8.894 17 HA ASN 3 HA ASN 3 45.862 -4.768 -6.895 18 HB2 ASN 3 1HB ASN 3 44.066 -2.380 -6.323 19 HB3 ASN 3 2HB ASN 3 44.576 -3.571 -5.136 20 HD21 ASN 3 2HD2 ASN 3 46.749 -3.554 -4.441 21 HD22 ASN 3 1HD2 ASN 3 47.748 -2.173 -4.663 22 H ALA 4 H ALA 4 43.889 -5.598 -5.535 23 HA ALA 4 HA ALA 4 42.278 -6.767 -7.552 24 HB1 ALA 4 3HB ALA 4 41.321 -8.140 -5.718 25 HB2 ALA 4 1HB ALA 4 42.267 -7.206 -4.564 26 HB3 ALA 4 2HB ALA 4 43.084 -8.200 -5.770 27 H GLN 5 H GLN 5 40.508 -5.741 -8.227 28 HA GLN 5 HA GLN 5 39.275 -3.711 -6.610 29 HB2 GLN 5 1HB GLN 5 38.438 -4.819 -9.290 30 HB3 GLN 5 2HB GLN 5 37.786 -3.379 -8.523 31 HG2 GLN 5 1HG GLN 5 40.012 -2.338 -8.653 32 HG3 GLN 5 2HG GLN 5 40.602 -3.765 -9.508 33 HE21 GLN 5 2HE2 GLN 5 40.483 -1.041 -10.404 34 HE22 GLN 5 1HE2 GLN 5 39.506 -1.026 -11.823 35 H LEU 6 H LEU 6 37.808 -4.147 -5.211 36 HA LEU 6 HA LEU 6 36.235 -6.582 -5.517 37 HB2 LEU 6 1HB LEU 6 36.199 -6.911 -3.123 38 HB3 LEU 6 2HB LEU 6 37.846 -6.872 -3.689 39 HG LEU 6 HG LEU 6 36.501 -4.542 -2.289 40 HD11 LEU 6 1HD1 LEU 6 37.765 -5.232 -0.312 41 HD12 LEU 6 2HD1 LEU 6 38.309 -6.675 -1.170 42 HD13 LEU 6 3HD1 LEU 6 36.598 -6.453 -0.812 43 HD21 LEU 6 3HD2 LEU 6 38.805 -3.772 -1.902 44 HD22 LEU 6 1HD2 LEU 6 38.452 -3.887 -3.625 45 HD23 LEU 6 2HD2 LEU 6 39.418 -5.131 -2.839 46 H ILE 7 H ILE 7 34.168 -6.245 -5.676 47 HA ILE 7 HA ILE 7 33.066 -3.673 -4.851 48 HB ILE 7 HB ILE 7 31.068 -4.320 -6.058 49 HG12 ILE 7 1HG1 ILE 7 32.546 -6.845 -6.827 50 HG13 ILE 7 2HG1 ILE 7 31.222 -6.766 -5.663 51 HG21 ILE 7 1HG2 ILE 7 32.008 -4.336 -8.344 52 HG22 ILE 7 2HG2 ILE 7 33.603 -4.655 -7.660 53 HG23 ILE 7 3HG2 ILE 7 32.777 -3.149 -7.297 54 HD11 ILE 7 3HD1 ILE 7 29.780 -5.916 -7.366 55 HD12 ILE 7 1HD1 ILE 7 30.435 -7.505 -7.832 56 HD13 ILE 7 2HD1 ILE 7 31.104 -6.003 -8.529 57 H GLU 8 H GLU 8 31.029 -3.722 -3.622 58 HA GLU 8 HA GLU 8 31.092 -5.940 -1.773 59 HB2 GLU 8 1HB GLU 8 29.476 -4.586 -0.401 60 HB3 GLU 8 2HB GLU 8 31.024 -3.809 -0.649 61 HG2 GLU 8 1HG GLU 8 29.975 -2.446 -2.440 62 HG3 GLU 8 2HG GLU 8 28.418 -3.154 -1.996 63 H ASP 9 H ASP 9 29.034 -6.964 -1.176 64 HA ASP 9 HA ASP 9 27.920 -7.858 -3.667 65 HB2 ASP 9 1HB ASP 9 27.393 -8.793 -0.844 66 HB3 ASP 9 2HB ASP 9 26.765 -9.570 -2.294 67 HA PRO 10 HA PRO 10 24.476 -5.136 -3.175 68 HB2 PRO 10 1HB PRO 10 23.359 -5.565 -5.625 69 HB3 PRO 10 2HB PRO 10 24.756 -4.514 -5.376 70 HG2 PRO 10 1HG PRO 10 24.622 -7.280 -6.440 71 HG3 PRO 10 2HG PRO 10 25.716 -5.959 -6.883 72 HD2 PRO 10 1HD PRO 10 26.356 -8.089 -5.223 73 HD3 PRO 10 2HD PRO 10 27.224 -6.544 -5.282 74 H LEU 11 H LEU 11 22.688 -5.616 -2.116 75 HA LEU 11 HA LEU 11 21.635 -8.314 -2.262 76 HB2 LEU 11 1HB LEU 11 20.905 -6.017 -0.434 77 HB3 LEU 11 2HB LEU 11 20.108 -7.565 -0.402 78 HG LEU 11 HG LEU 11 22.389 -8.570 0.169 79 HD11 LEU 11 1HD1 LEU 11 23.054 -5.701 0.762 80 HD12 LEU 11 2HD1 LEU 11 23.804 -6.715 -0.469 81 HD13 LEU 11 3HD1 LEU 11 24.008 -7.106 1.238 82 HD21 LEU 11 3HD2 LEU 11 22.163 -8.016 2.535 83 HD22 LEU 11 1HD2 LEU 11 20.607 -8.352 1.781 84 HD23 LEU 11 2HD2 LEU 11 21.080 -6.685 2.117 85 H ASP 12 H ASP 12 20.077 -8.824 -3.579 86 HA ASP 12 HA ASP 12 18.353 -6.699 -4.596 87 HB2 ASP 12 1HB ASP 12 19.583 -7.899 -6.338 88 HB3 ASP 12 2HB ASP 12 18.945 -9.431 -5.748 89 H LYS 13 H LYS 13 16.243 -6.759 -4.174 90 HA LYS 13 HA LYS 13 15.189 -9.078 -2.657 91 HB2 LYS 13 1HB LYS 13 14.703 -6.144 -2.327 92 HB3 LYS 13 2HB LYS 13 13.637 -7.385 -1.693 93 HG2 LYS 13 1HG LYS 13 15.472 -8.233 -0.298 94 HG3 LYS 13 2HG LYS 13 16.556 -7.026 -0.987 95 HD2 LYS 13 1HD LYS 13 15.733 -6.357 1.240 96 HD3 LYS 13 2HD LYS 13 15.223 -5.234 -0.014 97 HE2 LYS 13 1HE LYS 13 13.427 -5.697 1.583 98 HE3 LYS 13 2HE LYS 13 12.998 -6.245 -0.030 99 HZ1 LYS 13 3HZ LYS 13 13.956 -7.972 2.199 100 HZ2 LYS 13 1HZ LYS 13 13.578 -8.522 0.658 101 HZ3 LYS 13 2HZ LYS 13 12.381 -7.876 1.613 102 HA PRO 14 HA PRO 14 12.050 -9.430 -5.744 103 HB2 PRO 14 1HB PRO 14 11.529 -11.255 -3.445 104 HB3 PRO 14 2HB PRO 14 11.268 -11.624 -5.181 105 HG2 PRO 14 1HG PRO 14 13.317 -12.668 -3.984 106 HG3 PRO 14 2HG PRO 14 13.650 -11.761 -5.483 107 HD2 PRO 14 1HD PRO 14 13.960 -10.883 -2.638 108 HD3 PRO 14 2HD PRO 14 15.093 -10.704 -4.001 109 H ILE 15 H ILE 15 10.339 -8.053 -5.494 110 HA ILE 15 HA ILE 15 9.357 -7.488 -2.777 111 HB ILE 15 HB ILE 15 9.374 -5.604 -5.151 112 HG12 ILE 15 1HG1 ILE 15 11.646 -5.917 -4.273 113 HG13 ILE 15 2HG1 ILE 15 11.060 -4.290 -3.929 114 HG21 ILE 15 1HG2 ILE 15 7.489 -5.167 -3.707 115 HG22 ILE 15 2HG2 ILE 15 8.686 -3.878 -3.552 116 HG23 ILE 15 3HG2 ILE 15 8.549 -5.108 -2.296 117 HD11 ILE 15 3HD1 ILE 15 10.594 -4.998 -1.618 118 HD12 ILE 15 1HD1 ILE 15 12.291 -5.193 -2.061 119 HD13 ILE 15 2HD1 ILE 15 11.233 -6.599 -2.001 120 H GLN 16 H GLN 16 7.230 -7.685 -2.449 121 HA GLN 16 HA GLN 16 5.646 -8.480 -4.763 122 HB2 GLN 16 1HB GLN 16 5.140 -9.116 -1.852 123 HB3 GLN 16 2HB GLN 16 4.134 -9.631 -3.198 124 HG2 GLN 16 1HG GLN 16 6.977 -10.450 -2.631 125 HG3 GLN 16 2HG GLN 16 5.531 -11.454 -2.539 126 HE21 GLN 16 2HE2 GLN 16 4.377 -10.421 -5.045 127 HE22 GLN 16 1HE2 GLN 16 5.358 -11.039 -6.308 128 H TYR 17 H TYR 17 3.432 -7.869 -4.815 129 HA TYR 17 HA TYR 17 2.971 -5.178 -3.721 130 HB2 TYR 17 1HB TYR 17 2.118 -6.278 -6.410 131 HB3 TYR 17 2HB TYR 17 1.853 -4.642 -5.810 132 HD1 TYR 17 HD1 TYR 17 4.334 -7.012 -7.081 133 HD2 TYR 17 HD2 TYR 17 3.634 -3.008 -5.862 134 HE1 TYR 17 HE1 TYR 17 6.464 -6.383 -8.047 135 HE2 TYR 17 HE2 TYR 17 5.785 -2.330 -6.842 136 HH TYR 17 HH TYR 17 7.865 -3.256 -7.483 137 H ARG 18 H ARG 18 0.887 -4.750 -3.108 138 HA ARG 18 HA ARG 18 -1.131 -6.777 -3.457 139 HB2 ARG 18 1HB ARG 18 -0.167 -7.477 -1.354 140 HB3 ARG 18 2HB ARG 18 -0.157 -5.827 -0.761 141 HG2 ARG 18 1HG ARG 18 -2.500 -5.795 -0.524 142 HG3 ARG 18 2HG ARG 18 -2.687 -7.309 -1.406 143 HD2 ARG 18 1HD ARG 18 -2.913 -7.531 1.080 144 HD3 ARG 18 2HD ARG 18 -1.657 -8.546 0.373 145 HE ARG 18 HE ARG 18 -0.332 -6.318 1.090 146 HH11 ARG 18 1HH1 ARG 18 -2.554 -8.388 2.922 147 HH12 ARG 18 2HH1 ARG 18 -1.693 -8.291 4.369 148 HH21 ARG 18 1HH2 ARG 18 0.901 -6.212 3.144 149 HH22 ARG 18 2HH2 ARG 18 0.303 -7.043 4.490 150 H VAL 19 H VAL 19 -3.158 -5.879 -3.615 151 HA VAL 19 HA VAL 19 -3.245 -3.031 -3.813 152 HB VAL 19 HB VAL 19 -5.583 -3.239 -4.504 153 HG11 VAL 19 1HG1 VAL 19 -5.259 -4.549 -6.555 154 HG12 VAL 19 2HG1 VAL 19 -3.775 -5.213 -5.874 155 HG13 VAL 19 3HG1 VAL 19 -3.901 -3.484 -6.198 156 HG21 VAL 19 3HG2 VAL 19 -6.644 -5.441 -4.780 157 HG22 VAL 19 1HG2 VAL 19 -6.300 -5.081 -3.088 158 HG23 VAL 19 2HG2 VAL 19 -5.266 -6.199 -3.979 159 H CYS 20 H CYS 20 -3.933 -1.629 -2.535 160 HA CYS 20 HA CYS 20 -4.488 -2.250 0.194 161 HB2 CYS 20 1HB CYS 20 -3.232 -0.299 -0.250 162 HB3 CYS 20 2HB CYS 20 -4.445 0.300 -1.376 163 H GLU 21 H GLU 21 -6.351 -2.174 1.251 164 HA GLU 21 HA GLU 21 -8.811 -2.688 0.078 165 HB2 GLU 21 1HB GLU 21 -8.273 -1.464 2.773 166 HB3 GLU 21 2HB GLU 21 -9.729 -2.309 2.290 167 HG2 GLU 21 1HG GLU 21 -8.551 -4.381 2.131 168 HG3 GLU 21 2HG GLU 21 -7.008 -3.573 2.405 169 H LYS 22 H LYS 22 -7.583 0.319 1.479 170 HA LYS 22 HA LYS 22 -10.009 1.762 0.964 171 HB2 LYS 22 1HB LYS 22 -7.332 2.727 1.929 172 HB3 LYS 22 2HB LYS 22 -8.765 3.727 1.795 173 HG2 LYS 22 1HG LYS 22 -9.893 2.252 3.424 174 HG3 LYS 22 2HG LYS 22 -8.386 1.352 3.594 175 HD2 LYS 22 1HD LYS 22 -7.245 3.466 4.302 176 HD3 LYS 22 2HD LYS 22 -8.778 4.279 4.124 177 HE2 LYS 22 1HE LYS 22 -8.349 3.726 6.469 178 HE3 LYS 22 2HE LYS 22 -9.817 2.995 5.844 179 HZ1 LYS 22 3HZ LYS 22 -8.625 0.871 5.643 180 HZ2 LYS 22 1HZ LYS 22 -8.564 1.456 7.210 181 HZ3 LYS 22 2HZ LYS 22 -7.215 1.588 6.228 182 H CYS 23 H CYS 23 -7.423 1.028 -1.060 183 HA CYS 23 HA CYS 23 -7.967 3.500 -2.576 184 HB2 CYS 23 1HB CYS 23 -5.225 2.285 -2.267 185 HB3 CYS 23 2HB CYS 23 -5.625 3.750 -3.155 186 H GLY 24 H GLY 24 -7.120 0.044 -2.814 187 HA2 GLY 24 1HA GLY 24 -7.462 -1.361 -4.594 188 HA3 GLY 24 2HA GLY 24 -7.953 0.011 -5.581 189 H LYS 25 H LYS 25 -5.270 0.912 -4.128 190 HA LYS 25 HA LYS 25 -3.626 0.752 -6.467 191 HB2 LYS 25 1HB LYS 25 -3.688 2.756 -5.036 192 HB3 LYS 25 2HB LYS 25 -3.095 1.815 -3.684 193 HG2 LYS 25 1HG LYS 25 -1.327 3.160 -4.622 194 HG3 LYS 25 2HG LYS 25 -0.984 1.447 -4.877 195 HD2 LYS 25 1HD LYS 25 -1.744 1.570 -7.094 196 HD3 LYS 25 2HD LYS 25 -2.229 3.270 -6.936 197 HE2 LYS 25 1HE LYS 25 -0.114 3.242 -8.077 198 HE3 LYS 25 2HE LYS 25 0.188 3.772 -6.434 199 HZ1 LYS 25 3HZ LYS 25 1.816 2.185 -7.185 200 HZ2 LYS 25 1HZ LYS 25 0.642 1.034 -7.484 201 HZ3 LYS 25 2HZ LYS 25 0.949 1.520 -5.900 202 HA PRO 26 HA PRO 26 -1.464 -2.887 -4.787 203 HB2 PRO 26 1HB PRO 26 0.190 -2.796 -7.162 204 HB3 PRO 26 2HB PRO 26 -0.973 -4.031 -6.698 205 HG2 PRO 26 1HG PRO 26 -1.342 -2.335 -8.824 206 HG3 PRO 26 2HG PRO 26 -2.654 -3.124 -7.948 207 HD2 PRO 26 1HD PRO 26 -1.670 -0.319 -7.767 208 HD3 PRO 26 2HD PRO 26 -3.320 -0.956 -7.603 209 H LEU 27 H LEU 27 -0.094 -2.307 -3.292 210 HA LEU 27 HA LEU 27 2.058 -0.443 -3.984 211 HB2 LEU 27 1HB LEU 27 2.281 -0.111 -1.503 212 HB3 LEU 27 2HB LEU 27 0.825 0.540 -2.227 213 HG LEU 27 HG LEU 27 0.658 -2.181 -1.006 214 HD11 LEU 27 1HD1 LEU 27 1.891 -0.840 0.632 215 HD12 LEU 27 2HD1 LEU 27 0.244 -1.193 1.166 216 HD13 LEU 27 3HD1 LEU 27 0.642 0.410 0.530 217 HD21 LEU 27 3HD2 LEU 27 -1.191 -1.067 -2.220 218 HD22 LEU 27 1HD2 LEU 27 -1.160 0.211 -1.021 219 HD23 LEU 27 2HD2 LEU 27 -1.570 -1.439 -0.531 220 H ALA 28 H ALA 28 4.072 -0.816 -3.007 221 HA ALA 28 HA ALA 28 4.799 -3.604 -3.115 222 HB1 ALA 28 3HB ALA 28 6.146 -1.970 -4.301 223 HB2 ALA 28 1HB ALA 28 7.087 -2.722 -3.014 224 HB3 ALA 28 2HB ALA 28 6.443 -1.094 -2.796 225 H LEU 29 H LEU 29 5.587 -4.754 -1.400 226 HA LEU 29 HA LEU 29 4.680 -4.214 1.172 227 HB2 LEU 29 1HB LEU 29 6.964 -6.014 0.395 228 HB3 LEU 29 2HB LEU 29 6.164 -6.026 1.952 229 HG LEU 29 HG LEU 29 4.950 -6.790 -0.703 230 HD11 LEU 29 1HD1 LEU 29 4.784 -9.013 0.318 231 HD12 LEU 29 2HD1 LEU 29 5.661 -8.411 1.726 232 HD13 LEU 29 3HD1 LEU 29 6.450 -8.465 0.152 233 HD21 LEU 29 3HD2 LEU 29 3.259 -5.696 0.679 234 HD22 LEU 29 1HD2 LEU 29 3.684 -6.732 2.044 235 HD23 LEU 29 2HD2 LEU 29 2.962 -7.431 0.595 236 H THR 30 H THR 30 7.799 -3.352 -0.209 237 HA THR 30 HA THR 30 8.949 -2.589 2.280 238 HB THR 30 HB THR 30 9.830 -1.820 -0.510 239 HG1 THR 30 HG1 THR 30 10.213 -4.196 1.007 240 HG21 THR 30 3HG2 THR 30 12.084 -1.945 0.481 241 HG22 THR 30 1HG2 THR 30 11.380 -2.389 2.036 242 HG23 THR 30 2HG2 THR 30 11.091 -0.786 1.364 243 H ALA 31 H ALA 31 6.429 -1.229 0.755 244 HA ALA 31 HA ALA 31 7.122 1.446 1.717 245 HB1 ALA 31 3HB ALA 31 7.244 1.426 -0.727 246 HB2 ALA 31 1HB ALA 31 5.903 2.422 -0.160 247 HB3 ALA 31 2HB ALA 31 5.595 0.810 -0.805 248 H ILE 32 H ILE 32 5.357 -1.120 2.463 249 HA ILE 32 HA ILE 32 2.731 -0.141 2.300 250 HB ILE 32 HB ILE 32 3.004 -2.563 2.501 251 HG12 ILE 32 1HG1 ILE 32 1.524 -1.385 4.856 252 HG13 ILE 32 2HG1 ILE 32 0.885 -1.570 3.230 253 HG21 ILE 32 1HG2 ILE 32 3.583 -3.620 4.655 254 HG22 ILE 32 2HG2 ILE 32 4.006 -2.029 5.296 255 HG23 ILE 32 3HG2 ILE 32 4.921 -2.714 3.950 256 HD11 ILE 32 3HD1 ILE 32 1.671 -3.801 5.085 257 HD12 ILE 32 1HD1 ILE 32 0.990 -3.996 3.467 258 HD13 ILE 32 2HD1 ILE 32 0.031 -3.242 4.752 259 H VAL 33 H VAL 33 5.023 0.080 4.992 260 HA VAL 33 HA VAL 33 3.107 1.154 6.775 261 HB VAL 33 HB VAL 33 5.273 0.264 7.599 262 HG11 VAL 33 1HG1 VAL 33 6.778 1.076 5.902 263 HG12 VAL 33 2HG1 VAL 33 7.326 1.574 7.502 264 HG13 VAL 33 3HG1 VAL 33 6.530 2.735 6.440 265 HG21 VAL 33 3HG2 VAL 33 4.009 1.724 9.063 266 HG22 VAL 33 1HG2 VAL 33 4.809 3.140 8.380 267 HG23 VAL 33 2HG2 VAL 33 5.739 1.961 9.307 268 H ASP 34 H ASP 34 5.259 2.642 4.495 269 HA ASP 34 HA ASP 34 4.807 5.365 4.978 270 HB2 ASP 34 1HB ASP 34 6.583 4.493 3.487 271 HB3 ASP 34 2HB ASP 34 5.359 3.921 2.374 272 H HIS 35 H HIS 35 3.358 3.206 2.597 273 HA HIS 35 HA HIS 35 1.438 4.995 1.722 274 HB2 HIS 35 1HB HIS 35 1.963 3.035 0.360 275 HB3 HIS 35 2HB HIS 35 1.377 1.963 1.627 276 HD1 HIS 35 HD1 HIS 35 0.172 4.041 -1.262 277 HD2 HIS 35 HD2 HIS 35 -1.418 1.963 1.961 278 HE1 HIS 35 HE1 HIS 35 -2.275 3.976 -1.672 279 H LEU 36 H LEU 36 1.039 2.418 4.223 280 HA LEU 36 HA LEU 36 -1.662 3.123 4.563 281 HB2 LEU 36 1HB LEU 36 -1.707 1.717 6.611 282 HB3 LEU 36 2HB LEU 36 -1.064 0.889 5.219 283 HG LEU 36 HG LEU 36 1.225 1.275 6.170 284 HD11 LEU 36 1HD1 LEU 36 0.738 3.072 7.745 285 HD12 LEU 36 2HD1 LEU 36 1.410 1.679 8.589 286 HD13 LEU 36 3HD1 LEU 36 -0.322 2.001 8.661 287 HD21 LEU 36 3HD2 LEU 36 1.044 -0.580 7.749 288 HD22 LEU 36 1HD2 LEU 36 0.093 -0.871 6.292 289 HD23 LEU 36 2HD2 LEU 36 -0.705 -0.372 7.784 290 H GLU 37 H GLU 37 1.159 4.605 5.822 291 HA GLU 37 HA GLU 37 -0.360 6.012 7.793 292 HB2 GLU 37 1HB GLU 37 2.018 5.484 8.122 293 HB3 GLU 37 2HB GLU 37 2.423 6.541 6.778 294 HG2 GLU 37 1HG GLU 37 1.468 8.438 7.996 295 HG3 GLU 37 2HG GLU 37 1.112 7.372 9.353 296 H ASN 38 H ASN 38 0.590 6.653 4.356 297 HA ASN 38 HA ASN 38 -0.298 9.399 4.804 298 HB2 ASN 38 1HB ASN 38 1.066 10.045 2.877 299 HB3 ASN 38 2HB ASN 38 2.040 9.306 4.133 300 HD21 ASN 38 2HD2 ASN 38 3.668 8.801 2.738 301 HD22 ASN 38 1HD2 ASN 38 3.613 7.490 1.635 302 H HIS 39 H HIS 39 -1.490 6.679 3.793 303 HA HIS 39 HA HIS 39 -2.270 7.593 1.371 304 HB2 HIS 39 1HB HIS 39 -3.578 5.635 0.991 305 HB3 HIS 39 2HB HIS 39 -2.055 5.284 1.802 306 HD2 HIS 39 HD2 HIS 39 -3.558 5.919 4.869 307 HE1 HIS 39 HE1 HIS 39 -5.492 2.319 3.800 308 HE2 HIS 39 HE2 HIS 39 -5.182 4.087 5.563 309 H CYS 40 H CYS 40 -4.452 8.079 0.602 310 HA CYS 40 HA CYS 40 -6.084 9.407 2.563 311 HB2 CYS 40 1HB CYS 40 -5.610 10.547 0.426 312 HB3 CYS 40 2HB CYS 40 -6.332 9.217 -0.459 313 HG CYS 40 HG CYS 40 -8.434 10.465 1.769 314 H ALA 41 H ALA 41 -7.873 8.542 3.358 315 HA ALA 41 HA ALA 41 -8.488 5.830 2.780 316 HB1 ALA 41 3HB ALA 41 -10.209 6.071 4.477 317 HB2 ALA 41 1HB ALA 41 -9.965 7.817 4.485 318 HB3 ALA 41 2HB ALA 41 -8.678 6.743 5.035 319 H GLY 42 H GLY 42 -9.585 5.223 1.059 320 HA2 GLY 42 1HA GLY 42 -11.563 5.018 -0.173 321 HA3 GLY 42 2HA GLY 42 -12.077 6.587 0.443 322 H ALA 43 H ALA 43 -8.872 6.340 -0.722 323 HA ALA 43 HA ALA 43 -9.071 8.413 -2.541 324 HB1 ALA 43 3HB ALA 43 -7.049 6.176 -2.597 325 HB2 ALA 43 1HB ALA 43 -6.959 7.598 -1.561 326 HB3 ALA 43 2HB ALA 43 -6.867 7.783 -3.309 327 H SER 44 H SER 44 -10.437 8.415 -4.197 328 HA SER 44 HA SER 44 -10.032 6.536 -6.345 329 HB2 SER 44 1HB SER 44 -12.760 7.029 -5.105 330 HB3 SER 44 2HB SER 44 -12.462 6.127 -6.593 331 HG SER 44 HG SER 44 -10.902 5.228 -4.606 Start of MODEL 17 1 H1 ASN 1 1H ASN 1 29.745 -36.243 -13.779 2 H2 ASN 1 2H ASN 1 30.472 -36.606 -15.239 3 H3 ASN 1 3H ASN 1 31.305 -36.872 -13.801 4 HA ASN 1 HA ASN 1 28.799 -38.148 -14.680 5 HB2 ASN 1 1HB ASN 1 30.702 -38.926 -16.039 6 HB3 ASN 1 2HB ASN 1 31.560 -39.394 -14.579 7 HD21 ASN 1 2HD2 ASN 1 30.949 -41.333 -13.489 8 HD22 ASN 1 1HD2 ASN 1 29.850 -42.423 -14.195 9 HA PRO 2 HA PRO 2 29.758 -40.359 -10.550 10 HB2 PRO 2 1HB PRO 2 31.725 -39.542 -8.916 11 HB3 PRO 2 2HB PRO 2 32.018 -40.677 -10.236 12 HG2 PRO 2 1HG PRO 2 32.488 -37.724 -10.139 13 HG3 PRO 2 2HG PRO 2 33.561 -39.009 -10.732 14 HD2 PRO 2 1HD PRO 2 32.079 -37.505 -12.396 15 HD3 PRO 2 2HD PRO 2 32.431 -39.215 -12.717 16 H ASN 3 H ASN 3 30.013 -36.856 -10.618 17 HA ASN 3 HA ASN 3 28.706 -36.756 -7.981 18 HB2 ASN 3 1HB ASN 3 30.945 -35.704 -7.986 19 HB3 ASN 3 2HB ASN 3 30.435 -34.643 -9.292 20 HD21 ASN 3 2HD2 ASN 3 30.775 -32.779 -8.102 21 HD22 ASN 3 1HD2 ASN 3 29.784 -32.306 -6.771 22 H ALA 4 H ALA 4 26.737 -35.930 -7.915 23 HA ALA 4 HA ALA 4 25.628 -34.804 -10.339 24 HB1 ALA 4 3HB ALA 4 24.255 -36.397 -9.059 25 HB2 ALA 4 1HB ALA 4 23.488 -34.810 -9.107 26 HB3 ALA 4 2HB ALA 4 24.332 -35.336 -7.651 27 H GLN 5 H GLN 5 26.638 -32.894 -10.553 28 HA GLN 5 HA GLN 5 27.083 -31.100 -8.418 29 HB2 GLN 5 1HB GLN 5 28.514 -31.143 -10.407 30 HB3 GLN 5 2HB GLN 5 27.161 -30.634 -11.404 31 HG2 GLN 5 1HG GLN 5 27.078 -28.503 -10.229 32 HG3 GLN 5 2HG GLN 5 28.400 -29.012 -9.191 33 HE21 GLN 5 2HE2 GLN 5 29.703 -27.328 -9.842 34 HE22 GLN 5 1HE2 GLN 5 30.445 -27.264 -11.388 35 H LEU 6 H LEU 6 25.561 -30.018 -7.447 36 HA LEU 6 HA LEU 6 23.150 -29.256 -8.928 37 HB2 LEU 6 1HB LEU 6 23.651 -29.379 -5.952 38 HB3 LEU 6 2HB LEU 6 22.134 -28.931 -6.700 39 HG LEU 6 HG LEU 6 23.436 -31.654 -6.796 40 HD11 LEU 6 1HD1 LEU 6 20.957 -30.695 -5.386 41 HD12 LEU 6 2HD1 LEU 6 22.486 -31.132 -4.627 42 HD13 LEU 6 3HD1 LEU 6 21.526 -32.362 -5.452 43 HD21 LEU 6 3HD2 LEU 6 21.361 -32.395 -7.890 44 HD22 LEU 6 1HD2 LEU 6 22.235 -31.219 -8.871 45 HD23 LEU 6 2HD2 LEU 6 20.808 -30.722 -7.963 46 H ILE 7 H ILE 7 22.476 -27.114 -8.872 47 HA ILE 7 HA ILE 7 24.680 -25.282 -8.584 48 HB ILE 7 HB ILE 7 23.259 -23.612 -9.608 49 HG12 ILE 7 1HG1 ILE 7 21.154 -25.773 -9.789 50 HG13 ILE 7 2HG1 ILE 7 21.091 -24.410 -8.672 51 HG21 ILE 7 1HG2 ILE 7 23.257 -26.254 -11.066 52 HG22 ILE 7 2HG2 ILE 7 24.584 -25.103 -11.010 53 HG23 ILE 7 3HG2 ILE 7 23.074 -24.669 -11.816 54 HD11 ILE 7 3HD1 ILE 7 19.724 -23.984 -10.620 55 HD12 ILE 7 1HD1 ILE 7 21.149 -24.286 -11.643 56 HD13 ILE 7 2HD1 ILE 7 21.145 -22.908 -10.543 57 H GLU 8 H GLU 8 24.858 -23.638 -7.188 58 HA GLU 8 HA GLU 8 23.126 -23.716 -4.860 59 HB2 GLU 8 1HB GLU 8 25.652 -22.155 -5.426 60 HB3 GLU 8 2HB GLU 8 24.780 -22.141 -3.903 61 HG2 GLU 8 1HG GLU 8 26.115 -24.529 -5.148 62 HG3 GLU 8 2HG GLU 8 26.743 -23.565 -3.811 63 H ASP 9 H ASP 9 21.448 -22.412 -4.831 64 HA ASP 9 HA ASP 9 21.654 -19.958 -6.387 65 HB2 ASP 9 1HB ASP 9 19.177 -19.925 -6.578 66 HB3 ASP 9 2HB ASP 9 19.895 -21.336 -7.331 67 HA PRO 10 HA PRO 10 21.583 -17.944 -2.503 68 HB2 PRO 10 1HB PRO 10 21.361 -15.394 -3.426 69 HB3 PRO 10 2HB PRO 10 22.875 -16.302 -3.489 70 HG2 PRO 10 1HG PRO 10 20.884 -15.782 -5.649 71 HG3 PRO 10 2HG PRO 10 22.652 -15.805 -5.734 72 HD2 PRO 10 1HD PRO 10 21.081 -17.867 -6.564 73 HD3 PRO 10 2HD PRO 10 22.735 -18.083 -5.961 74 H LEU 11 H LEU 11 20.110 -17.017 -1.129 75 HA LEU 11 HA LEU 11 17.358 -17.315 -1.872 76 HB2 LEU 11 1HB LEU 11 18.607 -16.297 0.680 77 HB3 LEU 11 2HB LEU 11 16.906 -16.647 0.453 78 HG LEU 11 HG LEU 11 19.152 -18.660 0.387 79 HD11 LEU 11 1HD1 LEU 11 18.122 -19.479 2.449 80 HD12 LEU 11 2HD1 LEU 11 16.995 -18.122 2.411 81 HD13 LEU 11 3HD1 LEU 11 18.724 -17.831 2.613 82 HD21 LEU 11 3HD2 LEU 11 17.350 -19.319 -1.119 83 HD22 LEU 11 1HD2 LEU 11 16.165 -19.043 0.162 84 HD23 LEU 11 2HD2 LEU 11 17.358 -20.331 0.325 85 H ASP 12 H ASP 12 15.850 -15.711 -2.007 86 HA ASP 12 HA ASP 12 16.673 -12.945 -1.832 87 HB2 ASP 12 1HB ASP 12 15.911 -12.404 -4.087 88 HB3 ASP 12 2HB ASP 12 17.205 -13.590 -4.183 89 H LYS 13 H LYS 13 14.665 -11.635 -2.441 90 HA LYS 13 HA LYS 13 12.133 -12.993 -1.796 91 HB2 LYS 13 1HB LYS 13 13.254 -11.814 0.295 92 HB3 LYS 13 2HB LYS 13 12.945 -10.378 -0.708 93 HG2 LYS 13 1HG LYS 13 10.611 -10.678 -0.638 94 HG3 LYS 13 2HG LYS 13 10.764 -12.244 0.161 95 HD2 LYS 13 1HD LYS 13 10.149 -10.528 1.780 96 HD3 LYS 13 2HD LYS 13 11.771 -11.132 2.105 97 HE2 LYS 13 1HE LYS 13 12.709 -9.165 0.944 98 HE3 LYS 13 2HE LYS 13 11.073 -8.557 0.699 99 HZ1 LYS 13 3HZ LYS 13 12.076 -7.531 2.608 100 HZ2 LYS 13 1HZ LYS 13 12.404 -9.020 3.310 101 HZ3 LYS 13 2HZ LYS 13 10.816 -8.500 3.117 102 HA PRO 14 HA PRO 14 11.330 -10.461 -5.143 103 HB2 PRO 14 1HB PRO 14 8.946 -11.455 -5.781 104 HB3 PRO 14 2HB PRO 14 10.438 -12.449 -5.811 105 HG2 PRO 14 1HG PRO 14 8.358 -12.375 -3.679 106 HG3 PRO 14 2HG PRO 14 9.035 -13.776 -4.534 107 HD2 PRO 14 1HD PRO 14 9.983 -12.852 -2.143 108 HD3 PRO 14 2HD PRO 14 10.956 -13.748 -3.329 109 H ILE 15 H ILE 15 10.787 -8.457 -4.929 110 HA ILE 15 HA ILE 15 9.135 -7.507 -2.820 111 HB ILE 15 HB ILE 15 10.082 -6.118 -5.266 112 HG12 ILE 15 1HG1 ILE 15 12.001 -6.889 -4.027 113 HG13 ILE 15 2HG1 ILE 15 11.890 -5.147 -3.804 114 HG21 ILE 15 1HG2 ILE 15 9.726 -3.977 -4.010 115 HG22 ILE 15 2HG2 ILE 15 9.049 -4.916 -2.681 116 HG23 ILE 15 3HG2 ILE 15 8.234 -4.890 -4.248 117 HD11 ILE 15 3HD1 ILE 15 12.489 -6.254 -1.728 118 HD12 ILE 15 1HD1 ILE 15 11.045 -7.260 -1.814 119 HD13 ILE 15 2HD1 ILE 15 10.892 -5.521 -1.584 120 H GLN 16 H GLN 16 7.352 -8.250 -2.934 121 HA GLN 16 HA GLN 16 5.686 -8.371 -5.309 122 HB2 GLN 16 1HB GLN 16 5.198 -9.419 -2.527 123 HB3 GLN 16 2HB GLN 16 4.113 -9.637 -3.892 124 HG2 GLN 16 1HG GLN 16 6.947 -10.637 -3.751 125 HG3 GLN 16 2HG GLN 16 5.507 -11.607 -3.461 126 HE21 GLN 16 2HE2 GLN 16 7.404 -9.951 -5.866 127 HE22 GLN 16 1HE2 GLN 16 6.665 -10.710 -7.218 128 H TYR 17 H TYR 17 3.407 -7.784 -5.093 129 HA TYR 17 HA TYR 17 3.239 -5.229 -3.725 130 HB2 TYR 17 1HB TYR 17 1.848 -6.084 -6.269 131 HB3 TYR 17 2HB TYR 17 1.775 -4.497 -5.509 132 HD1 TYR 17 HD2 TYR 17 3.728 -2.997 -5.573 133 HD2 TYR 17 HD1 TYR 17 3.764 -6.765 -7.535 134 HE1 TYR 17 HE2 TYR 17 5.723 -2.315 -6.839 135 HE2 TYR 17 HE1 TYR 17 5.752 -6.104 -8.794 136 HH TYR 17 HH TYR 17 6.804 -4.078 -9.517 137 H ARG 18 H ARG 18 1.231 -4.633 -3.025 138 HA ARG 18 HA ARG 18 -0.787 -6.676 -2.641 139 HB2 ARG 18 1HB ARG 18 -0.954 -5.913 -0.224 140 HB3 ARG 18 2HB ARG 18 0.440 -6.902 -0.617 141 HG2 ARG 18 1HG ARG 18 1.838 -4.872 -0.711 142 HG3 ARG 18 2HG ARG 18 0.440 -3.892 -0.296 143 HD2 ARG 18 1HD ARG 18 1.544 -6.124 1.408 144 HD3 ARG 18 2HD ARG 18 1.864 -4.411 1.664 145 HE ARG 18 HE ARG 18 -0.801 -4.498 1.623 146 HH11 ARG 18 1HH1 ARG 18 1.534 -6.396 3.516 147 HH12 ARG 18 2HH1 ARG 18 0.477 -6.561 4.843 148 HH21 ARG 18 1HH2 ARG 18 -2.202 -4.772 3.425 149 HH22 ARG 18 2HH2 ARG 18 -1.691 -5.657 4.783 150 H VAL 19 H VAL 19 -2.751 -5.829 -2.978 151 HA VAL 19 HA VAL 19 -2.973 -3.051 -3.643 152 HB VAL 19 HB VAL 19 -5.284 -3.442 -4.140 153 HG11 VAL 19 1HG1 VAL 19 -5.143 -5.229 -5.793 154 HG12 VAL 19 2HG1 VAL 19 -3.629 -5.765 -5.062 155 HG13 VAL 19 3HG1 VAL 19 -3.732 -4.173 -5.812 156 HG21 VAL 19 3HG2 VAL 19 -6.390 -5.598 -3.757 157 HG22 VAL 19 1HG2 VAL 19 -5.941 -4.799 -2.250 158 HG23 VAL 19 2HG2 VAL 19 -4.977 -6.150 -2.843 159 H CYS 20 H CYS 20 -3.993 -1.485 -2.586 160 HA CYS 20 HA CYS 20 -4.082 -1.783 0.264 161 HB2 CYS 20 1HB CYS 20 -3.243 0.286 -0.622 162 HB3 CYS 20 2HB CYS 20 -4.742 0.561 -1.505 163 H GLU 21 H GLU 21 -5.762 -1.795 1.585 164 HA GLU 21 HA GLU 21 -8.167 -2.891 1.125 165 HB2 GLU 21 1HB GLU 21 -7.218 -2.602 3.323 166 HB3 GLU 21 2HB GLU 21 -7.302 -0.865 3.191 167 HG2 GLU 21 1HG GLU 21 -9.805 -2.526 3.233 168 HG3 GLU 21 2HG GLU 21 -8.956 -2.134 4.720 169 H LYS 22 H LYS 22 -7.662 0.641 1.306 170 HA LYS 22 HA LYS 22 -10.327 0.886 0.154 171 HB2 LYS 22 1HB LYS 22 -10.241 3.247 0.826 172 HB3 LYS 22 2HB LYS 22 -10.197 2.091 2.147 173 HG2 LYS 22 1HG LYS 22 -7.787 2.465 2.382 174 HG3 LYS 22 2HG LYS 22 -7.833 3.601 1.035 175 HD2 LYS 22 1HD LYS 22 -7.843 4.922 3.007 176 HD3 LYS 22 2HD LYS 22 -9.480 4.973 2.379 177 HE2 LYS 22 1HE LYS 22 -8.482 3.296 4.705 178 HE3 LYS 22 2HE LYS 22 -9.454 4.750 4.820 179 HZ1 LYS 22 3HZ LYS 22 -10.912 2.948 5.125 180 HZ2 LYS 22 1HZ LYS 22 -10.263 2.075 3.842 181 HZ3 LYS 22 2HZ LYS 22 -11.209 3.464 3.558 182 H CYS 23 H CYS 23 -7.029 1.806 -0.613 183 HA CYS 23 HA CYS 23 -7.953 3.546 -2.715 184 HB2 CYS 23 1HB CYS 23 -5.131 2.592 -2.255 185 HB3 CYS 23 2HB CYS 23 -5.643 3.993 -3.184 186 H GLY 24 H GLY 24 -7.224 0.165 -2.496 187 HA2 GLY 24 1HA GLY 24 -7.463 -1.472 -4.085 188 HA3 GLY 24 2HA GLY 24 -7.904 -0.245 -5.255 189 H LYS 25 H LYS 25 -5.548 1.265 -5.035 190 HA LYS 25 HA LYS 25 -3.813 0.294 -6.917 191 HB2 LYS 25 1HB LYS 25 -3.195 2.139 -4.640 192 HB3 LYS 25 2HB LYS 25 -2.170 1.893 -6.044 193 HG2 LYS 25 1HG LYS 25 -4.065 2.657 -7.472 194 HG3 LYS 25 2HG LYS 25 -4.937 3.078 -5.994 195 HD2 LYS 25 1HD LYS 25 -2.226 4.052 -6.713 196 HD3 LYS 25 2HD LYS 25 -3.694 4.980 -7.065 197 HE2 LYS 25 1HE LYS 25 -4.186 5.116 -4.675 198 HE3 LYS 25 2HE LYS 25 -2.784 4.121 -4.297 199 HZ1 LYS 25 3HZ LYS 25 -1.379 5.855 -5.219 200 HZ2 LYS 25 1HZ LYS 25 -2.299 6.439 -3.934 201 HZ3 LYS 25 2HZ LYS 25 -2.717 6.832 -5.517 202 HA PRO 26 HA PRO 26 -1.336 -2.711 -4.696 203 HB2 PRO 26 1HB PRO 26 0.411 -3.288 -6.648 204 HB3 PRO 26 2HB PRO 26 -1.273 -3.815 -6.732 205 HG2 PRO 26 1HG PRO 26 0.085 -1.562 -8.132 206 HG3 PRO 26 2HG PRO 26 -1.179 -2.651 -8.724 207 HD2 PRO 26 1HD PRO 26 -1.605 -0.069 -7.790 208 HD3 PRO 26 2HD PRO 26 -2.837 -1.337 -7.905 209 H LEU 27 H LEU 27 0.108 -2.279 -3.225 210 HA LEU 27 HA LEU 27 2.274 -0.356 -3.755 211 HB2 LEU 27 1HB LEU 27 1.086 -1.321 -1.147 212 HB3 LEU 27 2HB LEU 27 2.544 -0.373 -1.251 213 HG LEU 27 HG LEU 27 0.858 1.090 -0.611 214 HD11 LEU 27 1HD1 LEU 27 1.253 1.438 -3.544 215 HD12 LEU 27 2HD1 LEU 27 2.346 1.951 -2.256 216 HD13 LEU 27 3HD1 LEU 27 0.742 2.687 -2.400 217 HD21 LEU 27 3HD2 LEU 27 -0.842 0.060 -2.882 218 HD22 LEU 27 1HD2 LEU 27 -1.261 1.398 -1.806 219 HD23 LEU 27 2HD2 LEU 27 -1.099 -0.236 -1.160 220 H ALA 28 H ALA 28 4.360 -0.951 -3.193 221 HA ALA 28 HA ALA 28 4.966 -3.741 -3.281 222 HB1 ALA 28 3HB ALA 28 6.512 -2.091 -4.212 223 HB2 ALA 28 1HB ALA 28 7.294 -2.983 -2.905 224 HB3 ALA 28 2HB ALA 28 6.696 -1.343 -2.625 225 H LEU 29 H LEU 29 5.729 -4.991 -1.557 226 HA LEU 29 HA LEU 29 4.397 -4.660 0.845 227 HB2 LEU 29 1HB LEU 29 5.505 -6.561 1.732 228 HB3 LEU 29 2HB LEU 29 5.281 -6.839 0.025 229 HG LEU 29 HG LEU 29 7.892 -6.084 1.356 230 HD11 LEU 29 1HD1 LEU 29 8.556 -8.380 0.875 231 HD12 LEU 29 2HD1 LEU 29 6.939 -8.717 0.260 232 HD13 LEU 29 3HD1 LEU 29 7.169 -8.317 1.963 233 HD21 LEU 29 3HD2 LEU 29 7.315 -6.923 -1.484 234 HD22 LEU 29 1HD2 LEU 29 8.914 -6.652 -0.785 235 HD23 LEU 29 2HD2 LEU 29 7.781 -5.309 -0.949 236 H THR 30 H THR 30 7.588 -3.406 0.089 237 HA THR 30 HA THR 30 8.160 -2.821 2.834 238 HB THR 30 HB THR 30 9.523 -1.630 0.418 239 HG1 THR 30 HG1 THR 30 10.765 -3.494 0.356 240 HG21 THR 30 3HG2 THR 30 11.500 -1.738 1.884 241 HG22 THR 30 1HG2 THR 30 10.522 -2.479 3.150 242 HG23 THR 30 2HG2 THR 30 10.208 -0.817 2.652 243 H ALA 31 H ALA 31 6.481 -1.243 0.225 244 HA ALA 31 HA ALA 31 6.836 1.412 1.374 245 HB1 ALA 31 3HB ALA 31 5.437 0.569 -1.158 246 HB2 ALA 31 1HB ALA 31 7.100 1.144 -1.047 247 HB3 ALA 31 2HB ALA 31 5.768 2.228 -0.657 248 H ILE 32 H ILE 32 4.679 -1.124 1.656 249 HA ILE 32 HA ILE 32 2.232 0.240 1.647 250 HB ILE 32 HB ILE 32 2.247 -2.205 1.514 251 HG12 ILE 32 1HG1 ILE 32 0.408 -2.736 3.068 252 HG13 ILE 32 2HG1 ILE 32 0.777 -1.300 4.009 253 HG21 ILE 32 1HG2 ILE 32 4.083 -2.712 3.003 254 HG22 ILE 32 2HG2 ILE 32 2.643 -3.595 3.523 255 HG23 ILE 32 3HG2 ILE 32 3.150 -2.144 4.385 256 HD11 ILE 32 3HD1 ILE 32 -1.178 -1.027 2.568 257 HD12 ILE 32 1HD1 ILE 32 -0.170 -1.292 1.142 258 HD13 ILE 32 2HD1 ILE 32 0.094 0.120 2.188 259 H VAL 33 H VAL 33 4.595 -0.080 4.204 260 HA VAL 33 HA VAL 33 2.912 0.704 6.335 261 HB VAL 33 HB VAL 33 5.899 1.202 6.110 262 HG11 VAL 33 1HG1 VAL 33 4.129 0.948 8.542 263 HG12 VAL 33 2HG1 VAL 33 4.851 2.437 7.935 264 HG13 VAL 33 3HG1 VAL 33 5.882 1.149 8.565 265 HG21 VAL 33 3HG2 VAL 33 5.411 -1.157 5.716 266 HG22 VAL 33 1HG2 VAL 33 4.454 -1.218 7.199 267 HG23 VAL 33 2HG2 VAL 33 6.192 -0.943 7.283 268 H ASP 34 H ASP 34 5.188 2.559 4.368 269 HA ASP 34 HA ASP 34 4.633 5.111 5.361 270 HB2 ASP 34 1HB ASP 34 6.585 4.700 3.976 271 HB3 ASP 34 2HB ASP 34 5.562 4.269 2.611 272 H HIS 35 H HIS 35 3.319 3.431 2.546 273 HA HIS 35 HA HIS 35 1.539 5.391 1.718 274 HB2 HIS 35 1HB HIS 35 1.941 3.518 0.235 275 HB3 HIS 35 2HB HIS 35 1.358 2.373 1.442 276 HD1 HIS 35 HD1 HIS 35 0.158 4.633 -1.262 277 HD2 HIS 35 HD2 HIS 35 -1.425 2.347 1.803 278 HE1 HIS 35 HE1 HIS 35 -2.327 4.636 -1.663 279 H LEU 36 H LEU 36 0.935 2.671 3.945 280 HA LEU 36 HA LEU 36 -1.801 3.290 4.267 281 HB2 LEU 36 1HB LEU 36 -0.341 1.138 4.746 282 HB3 LEU 36 2HB LEU 36 -0.200 1.794 6.344 283 HG LEU 36 HG LEU 36 -1.905 0.103 6.276 284 HD11 LEU 36 1HD1 LEU 36 -3.867 1.272 7.115 285 HD12 LEU 36 2HD1 LEU 36 -3.212 2.790 6.496 286 HD13 LEU 36 3HD1 LEU 36 -2.371 1.932 7.782 287 HD21 LEU 36 3HD2 LEU 36 -2.448 0.155 3.929 288 HD22 LEU 36 1HD2 LEU 36 -3.234 1.721 4.113 289 HD23 LEU 36 2HD2 LEU 36 -3.917 0.301 4.895 290 H GLU 37 H GLU 37 1.118 4.420 5.734 291 HA GLU 37 HA GLU 37 -0.032 5.769 7.934 292 HB2 GLU 37 1HB GLU 37 2.327 5.158 7.853 293 HB3 GLU 37 2HB GLU 37 2.566 6.191 6.457 294 HG2 GLU 37 1HG GLU 37 3.449 7.266 8.396 295 HG3 GLU 37 2HG GLU 37 2.019 8.148 7.869 296 H ASN 38 H ASN 38 0.677 6.854 4.471 297 HA ASN 38 HA ASN 38 -0.282 9.478 5.350 298 HB2 ASN 38 1HB ASN 38 1.095 10.531 3.730 299 HB3 ASN 38 2HB ASN 38 2.112 9.361 4.557 300 HD21 ASN 38 2HD2 ASN 38 2.335 10.599 1.893 301 HD22 ASN 38 1HD2 ASN 38 2.482 9.272 0.795 302 H HIS 39 H HIS 39 -1.441 6.933 3.923 303 HA HIS 39 HA HIS 39 -2.174 8.060 1.620 304 HB2 HIS 39 1HB HIS 39 -3.639 6.183 1.092 305 HB3 HIS 39 2HB HIS 39 -2.132 5.731 1.885 306 HD2 HIS 39 HD2 HIS 39 -3.736 6.252 4.973 307 HE1 HIS 39 HE1 HIS 39 -5.667 2.706 3.714 308 HE2 HIS 39 HE2 HIS 39 -4.975 4.130 5.667 309 H CYS 40 H CYS 40 -3.671 9.568 1.133 310 HA CYS 40 HA CYS 40 -5.495 10.395 3.238 311 HB2 CYS 40 1HB CYS 40 -4.718 11.779 0.679 312 HB3 CYS 40 2HB CYS 40 -5.587 12.480 2.039 313 HG CYS 40 HG CYS 40 -2.681 11.171 2.937 314 H ALA 41 H ALA 41 -7.648 10.316 2.986 315 HA ALA 41 HA ALA 41 -8.851 8.813 0.944 316 HB1 ALA 41 3HB ALA 41 -10.070 10.852 2.818 317 HB2 ALA 41 1HB ALA 41 -9.905 9.126 3.136 318 HB3 ALA 41 2HB ALA 41 -10.980 9.687 1.855 319 H GLY 42 H GLY 42 -9.672 9.418 -0.981 320 HA2 GLY 42 1HA GLY 42 -10.505 11.146 -2.470 321 HA3 GLY 42 2HA GLY 42 -9.383 12.261 -1.692 322 H ALA 43 H ALA 43 -7.343 10.059 -1.623 323 HA ALA 43 HA ALA 43 -6.221 10.525 -4.223 324 HB1 ALA 43 3HB ALA 43 -5.319 8.705 -1.974 325 HB2 ALA 43 1HB ALA 43 -4.743 10.348 -2.258 326 HB3 ALA 43 2HB ALA 43 -4.381 9.072 -3.424 327 H SER 44 H SER 44 -6.058 9.022 -5.864 328 HA SER 44 HA SER 44 -6.935 7.624 -7.274 329 HB2 SER 44 1HB SER 44 -7.129 5.161 -6.489 330 HB3 SER 44 2HB SER 44 -5.545 5.925 -6.420 331 HG SER 44 HG SER 44 -7.053 6.232 -4.165 Start of MODEL 18 1 H1 ASN 1 1H ASN 1 27.826 -9.391 17.417 2 H2 ASN 1 2H ASN 1 28.659 -10.814 17.706 3 H3 ASN 1 3H ASN 1 29.013 -9.426 18.621 4 HA ASN 1 HA ASN 1 27.665 -11.043 19.828 5 HB2 ASN 1 1HB ASN 1 26.251 -8.436 19.135 6 HB3 ASN 1 2HB ASN 1 25.913 -9.428 20.547 7 HD21 ASN 1 2HD2 ASN 1 26.409 -7.671 21.924 8 HD22 ASN 1 1HD2 ASN 1 28.023 -7.157 22.175 9 HA PRO 2 HA PRO 2 24.817 -13.560 17.586 10 HB2 PRO 2 1HB PRO 2 22.977 -13.053 19.886 11 HB3 PRO 2 2HB PRO 2 23.401 -14.576 19.092 12 HG2 PRO 2 1HG PRO 2 24.519 -13.952 21.402 13 HG3 PRO 2 2HG PRO 2 25.482 -14.691 20.112 14 HD2 PRO 2 1HD PRO 2 25.448 -11.862 21.063 15 HD3 PRO 2 2HD PRO 2 26.789 -12.831 20.420 16 H ASN 3 H ASN 3 23.468 -10.559 18.914 17 HA ASN 3 HA ASN 3 21.085 -10.544 17.374 18 HB2 ASN 3 1HB ASN 3 22.586 -8.184 18.527 19 HB3 ASN 3 2HB ASN 3 20.975 -8.099 17.826 20 HD21 ASN 3 2HD2 ASN 3 19.249 -9.060 18.958 21 HD22 ASN 3 1HD2 ASN 3 19.357 -9.433 20.623 22 H ALA 4 H ALA 4 24.351 -9.624 16.673 23 HA ALA 4 HA ALA 4 25.465 -8.972 14.894 24 HB1 ALA 4 3HB ALA 4 24.600 -9.329 12.649 25 HB2 ALA 4 1HB ALA 4 22.967 -9.528 13.286 26 HB3 ALA 4 2HB ALA 4 24.218 -10.715 13.672 27 H GLN 5 H GLN 5 25.981 -7.159 13.763 28 HA GLN 5 HA GLN 5 24.465 -4.778 14.362 29 HB2 GLN 5 1HB GLN 5 26.916 -5.166 12.601 30 HB3 GLN 5 2HB GLN 5 26.259 -3.626 13.114 31 HG2 GLN 5 1HG GLN 5 26.843 -4.074 15.398 32 HG3 GLN 5 2HG GLN 5 27.363 -5.708 14.983 33 HE21 GLN 5 2HE2 GLN 5 28.839 -3.512 16.220 34 HE22 GLN 5 1HE2 GLN 5 30.216 -3.247 15.220 35 H LEU 6 H LEU 6 22.684 -4.411 13.148 36 HA LEU 6 HA LEU 6 22.870 -5.082 10.309 37 HB2 LEU 6 1HB LEU 6 21.546 -6.802 11.412 38 HB3 LEU 6 2HB LEU 6 20.504 -5.576 12.105 39 HG LEU 6 HG LEU 6 19.791 -4.947 9.797 40 HD11 LEU 6 1HD1 LEU 6 21.670 -5.747 8.529 41 HD12 LEU 6 2HD1 LEU 6 20.191 -6.532 7.973 42 HD13 LEU 6 3HD1 LEU 6 21.321 -7.410 9.006 43 HD21 LEU 6 3HD2 LEU 6 19.307 -7.811 10.592 44 HD22 LEU 6 1HD2 LEU 6 18.310 -6.865 9.489 45 HD23 LEU 6 2HD2 LEU 6 18.428 -6.404 11.189 46 H ILE 7 H ILE 7 22.304 -3.561 9.002 47 HA ILE 7 HA ILE 7 20.477 -1.510 9.917 48 HB ILE 7 HB ILE 7 22.697 -0.464 9.637 49 HG12 ILE 7 1HG1 ILE 7 20.881 0.236 7.314 50 HG13 ILE 7 2HG1 ILE 7 20.716 0.836 8.957 51 HG21 ILE 7 1HG2 ILE 7 23.769 -2.051 8.174 52 HG22 ILE 7 2HG2 ILE 7 23.874 -0.434 7.479 53 HG23 ILE 7 3HG2 ILE 7 22.706 -1.594 6.844 54 HD11 ILE 7 3HD1 ILE 7 22.846 1.993 8.762 55 HD12 ILE 7 1HD1 ILE 7 21.733 2.489 7.486 56 HD13 ILE 7 2HD1 ILE 7 23.047 1.365 7.126 57 H GLU 8 H GLU 8 18.717 -1.434 8.744 58 HA GLU 8 HA GLU 8 18.124 -3.436 6.908 59 HB2 GLU 8 1HB GLU 8 16.683 -0.783 7.088 60 HB3 GLU 8 2HB GLU 8 16.042 -2.294 6.470 61 HG2 GLU 8 1HG GLU 8 15.063 -2.147 8.552 62 HG3 GLU 8 2HG GLU 8 16.461 -3.165 8.876 63 H ASP 9 H ASP 9 18.107 -3.546 4.743 64 HA ASP 9 HA ASP 9 19.800 -1.692 3.395 65 HB2 ASP 9 1HB ASP 9 19.589 -3.225 1.454 66 HB3 ASP 9 2HB ASP 9 20.067 -4.078 2.907 67 HA PRO 10 HA PRO 10 16.730 1.084 2.063 68 HB2 PRO 10 1HB PRO 10 17.845 1.919 -0.302 69 HB3 PRO 10 2HB PRO 10 18.376 2.483 1.285 70 HG2 PRO 10 1HG PRO 10 19.533 0.348 -0.452 71 HG3 PRO 10 2HG PRO 10 20.374 1.607 0.471 72 HD2 PRO 10 1HD PRO 10 20.228 -0.908 1.365 73 HD3 PRO 10 2HD PRO 10 20.115 0.473 2.478 74 H LEU 11 H LEU 11 15.071 1.365 0.519 75 HA LEU 11 HA LEU 11 14.611 -1.105 -0.874 76 HB2 LEU 11 1HB LEU 11 12.734 1.163 -0.277 77 HB3 LEU 11 2HB LEU 11 12.299 -0.205 -1.271 78 HG LEU 11 HG LEU 11 11.350 -0.602 0.840 79 HD11 LEU 11 1HD1 LEU 11 12.409 -2.623 1.643 80 HD12 LEU 11 2HD1 LEU 11 13.860 -2.237 0.731 81 HD13 LEU 11 3HD1 LEU 11 12.346 -2.566 -0.119 82 HD21 LEU 11 3HD2 LEU 11 12.584 1.005 2.187 83 HD22 LEU 11 1HD2 LEU 11 14.027 -0.005 2.100 84 HD23 LEU 11 2HD2 LEU 11 12.600 -0.580 2.965 85 H ASP 12 H ASP 12 16.050 -0.856 -2.404 86 HA ASP 12 HA ASP 12 15.027 0.603 -4.760 87 HB2 ASP 12 1HB ASP 12 17.298 0.593 -5.668 88 HB3 ASP 12 2HB ASP 12 17.364 1.301 -4.070 89 H LYS 13 H LYS 13 14.783 -1.928 -3.197 90 HA LYS 13 HA LYS 13 15.518 -4.248 -4.836 91 HB2 LYS 13 1HB LYS 13 13.680 -3.935 -2.511 92 HB3 LYS 13 2HB LYS 13 14.378 -5.420 -3.088 93 HG2 LYS 13 1HG LYS 13 16.572 -4.684 -2.266 94 HG3 LYS 13 2HG LYS 13 15.906 -3.103 -1.857 95 HD2 LYS 13 1HD LYS 13 16.002 -4.300 0.179 96 HD3 LYS 13 2HD LYS 13 14.312 -4.323 -0.308 97 HE2 LYS 13 1HE LYS 13 14.874 -6.505 0.468 98 HE3 LYS 13 2HE LYS 13 14.729 -6.596 -1.289 99 HZ1 LYS 13 3HZ LYS 13 17.260 -6.228 0.162 100 HZ2 LYS 13 1HZ LYS 13 17.119 -6.551 -1.482 101 HZ3 LYS 13 2HZ LYS 13 16.714 -7.753 -0.362 102 HA PRO 14 HA PRO 14 11.590 -4.403 -6.603 103 HB2 PRO 14 1HB PRO 14 11.846 -6.705 -7.923 104 HB3 PRO 14 2HB PRO 14 12.930 -5.309 -8.228 105 HG2 PRO 14 1HG PRO 14 13.529 -7.707 -6.559 106 HG3 PRO 14 2HG PRO 14 14.465 -7.027 -7.905 107 HD2 PRO 14 1HD PRO 14 14.863 -6.391 -5.265 108 HD3 PRO 14 2HD PRO 14 15.294 -5.332 -6.631 109 H ILE 15 H ILE 15 9.875 -4.890 -5.447 110 HA ILE 15 HA ILE 15 9.815 -7.259 -3.710 111 HB ILE 15 HB ILE 15 8.805 -4.463 -3.044 112 HG12 ILE 15 1HG1 ILE 15 11.271 -4.678 -2.835 113 HG13 ILE 15 2HG1 ILE 15 10.492 -4.365 -1.292 114 HG21 ILE 15 1HG2 ILE 15 8.236 -5.332 -0.824 115 HG22 ILE 15 2HG2 ILE 15 8.696 -6.952 -1.350 116 HG23 ILE 15 3HG2 ILE 15 7.326 -6.136 -2.104 117 HD11 ILE 15 3HD1 ILE 15 10.721 -6.721 -0.701 118 HD12 ILE 15 1HD1 ILE 15 12.284 -5.997 -1.087 119 HD13 ILE 15 2HD1 ILE 15 11.476 -7.039 -2.263 120 H GLN 16 H GLN 16 7.761 -8.225 -3.578 121 HA GLN 16 HA GLN 16 6.036 -7.789 -5.781 122 HB2 GLN 16 1HB GLN 16 5.661 -9.478 -3.314 123 HB3 GLN 16 2HB GLN 16 4.530 -9.469 -4.655 124 HG2 GLN 16 1HG GLN 16 7.427 -10.288 -4.760 125 HG3 GLN 16 2HG GLN 16 6.039 -11.364 -4.812 126 HE21 GLN 16 2HE2 GLN 16 4.482 -9.647 -6.605 127 HE22 GLN 16 1HE2 GLN 16 5.226 -9.762 -8.149 128 H TYR 17 H TYR 17 3.623 -7.475 -5.531 129 HA TYR 17 HA TYR 17 3.239 -5.154 -3.771 130 HB2 TYR 17 1HB TYR 17 2.158 -5.468 -6.574 131 HB3 TYR 17 2HB TYR 17 2.050 -4.044 -5.551 132 HD1 TYR 17 HD2 TYR 17 4.206 -2.831 -4.966 133 HD2 TYR 17 HD1 TYR 17 3.996 -5.801 -7.998 134 HE1 TYR 17 HE2 TYR 17 6.328 -2.025 -5.900 135 HE2 TYR 17 HE1 TYR 17 6.113 -5.010 -8.934 136 HH TYR 17 HH TYR 17 8.156 -2.987 -7.227 137 H ARG 18 H ARG 18 1.167 -4.806 -3.043 138 HA ARG 18 HA ARG 18 -0.908 -6.727 -3.742 139 HB2 ARG 18 1HB ARG 18 -1.672 -6.834 -1.379 140 HB3 ARG 18 2HB ARG 18 -0.078 -7.530 -1.582 141 HG2 ARG 18 1HG ARG 18 0.942 -5.620 -0.550 142 HG3 ARG 18 2HG ARG 18 -0.601 -4.758 -0.521 143 HD2 ARG 18 1HD ARG 18 -1.539 -6.391 0.971 144 HD3 ARG 18 2HD ARG 18 -0.086 -7.380 0.874 145 HE ARG 18 HE ARG 18 1.050 -5.430 1.956 146 HH11 ARG 18 1HH1 ARG 18 -2.436 -5.884 2.503 147 HH12 ARG 18 2HH1 ARG 18 -2.371 -5.337 4.118 148 HH21 ARG 18 1HH2 ARG 18 1.099 -4.732 4.135 149 HH22 ARG 18 2HH2 ARG 18 -0.330 -4.666 5.067 150 H VAL 19 H VAL 19 -3.058 -5.810 -3.388 151 HA VAL 19 HA VAL 19 -2.857 -2.934 -3.749 152 HB VAL 19 HB VAL 19 -5.190 -2.964 -4.539 153 HG11 VAL 19 1HG1 VAL 19 -3.419 -3.186 -6.167 154 HG12 VAL 19 2HG1 VAL 19 -4.814 -4.147 -6.653 155 HG13 VAL 19 3HG1 VAL 19 -3.404 -4.936 -5.943 156 HG21 VAL 19 3HG2 VAL 19 -5.006 -5.956 -4.219 157 HG22 VAL 19 1HG2 VAL 19 -6.331 -5.089 -4.998 158 HG23 VAL 19 2HG2 VAL 19 -6.029 -4.875 -3.270 159 H CYS 20 H CYS 20 -3.659 -1.498 -2.485 160 HA CYS 20 HA CYS 20 -4.233 -2.138 0.186 161 HB2 CYS 20 1HB CYS 20 -3.303 -0.001 -0.254 162 HB3 CYS 20 2HB CYS 20 -4.586 0.395 -1.397 163 H GLU 21 H GLU 21 -6.043 -2.557 1.192 164 HA GLU 21 HA GLU 21 -8.428 -3.417 0.144 165 HB2 GLU 21 1HB GLU 21 -7.702 -3.766 2.447 166 HB3 GLU 21 2HB GLU 21 -7.878 -2.050 2.777 167 HG2 GLU 21 1HG GLU 21 -10.343 -2.460 2.042 168 HG3 GLU 21 2HG GLU 21 -9.961 -4.136 2.434 169 H LYS 22 H LYS 22 -7.529 -0.228 1.270 170 HA LYS 22 HA LYS 22 -10.164 0.857 0.957 171 HB2 LYS 22 1HB LYS 22 -8.779 1.549 2.807 172 HB3 LYS 22 2HB LYS 22 -7.550 2.144 1.694 173 HG2 LYS 22 1HG LYS 22 -9.165 3.729 0.799 174 HG3 LYS 22 2HG LYS 22 -10.343 3.180 1.984 175 HD2 LYS 22 1HD LYS 22 -8.744 3.896 3.773 176 HD3 LYS 22 2HD LYS 22 -7.713 4.539 2.493 177 HE2 LYS 22 1HE LYS 22 -9.138 6.277 3.436 178 HE3 LYS 22 2HE LYS 22 -9.494 5.992 1.732 179 HZ1 LYS 22 3HZ LYS 22 -11.061 4.996 4.047 180 HZ2 LYS 22 1HZ LYS 22 -11.377 4.590 2.447 181 HZ3 LYS 22 2HZ LYS 22 -11.551 6.171 2.925 182 H CYS 23 H CYS 23 -7.016 1.452 -0.565 183 HA CYS 23 HA CYS 23 -8.312 3.394 -2.310 184 HB2 CYS 23 1HB CYS 23 -5.369 2.783 -2.152 185 HB3 CYS 23 2HB CYS 23 -6.141 4.233 -2.787 186 H GLY 24 H GLY 24 -7.129 0.112 -2.558 187 HA2 GLY 24 1HA GLY 24 -7.144 -1.306 -4.339 188 HA3 GLY 24 2HA GLY 24 -7.849 -0.022 -5.311 189 H LYS 25 H LYS 25 -5.104 1.000 -3.775 190 HA LYS 25 HA LYS 25 -3.581 1.107 -6.256 191 HB2 LYS 25 1HB LYS 25 -3.932 3.062 -4.623 192 HB3 LYS 25 2HB LYS 25 -2.883 2.210 -3.520 193 HG2 LYS 25 1HG LYS 25 -2.018 3.158 -6.261 194 HG3 LYS 25 2HG LYS 25 -1.817 4.099 -4.793 195 HD2 LYS 25 1HD LYS 25 -0.487 2.171 -3.876 196 HD3 LYS 25 2HD LYS 25 -0.569 1.445 -5.466 197 HE2 LYS 25 1HE LYS 25 0.655 4.151 -4.878 198 HE3 LYS 25 2HE LYS 25 1.559 2.661 -5.108 199 HZ1 LYS 25 3HZ LYS 25 -0.129 4.018 -7.153 200 HZ2 LYS 25 1HZ LYS 25 0.737 2.576 -7.396 201 HZ3 LYS 25 2HZ LYS 25 1.542 4.001 -7.072 202 HA PRO 26 HA PRO 26 -1.235 -2.466 -4.898 203 HB2 PRO 26 1HB PRO 26 0.537 -2.506 -6.958 204 HB3 PRO 26 2HB PRO 26 -1.117 -3.109 -7.113 205 HG2 PRO 26 1HG PRO 26 0.045 -0.509 -7.996 206 HG3 PRO 26 2HG PRO 26 -1.147 -1.536 -8.809 207 HD2 PRO 26 1HD PRO 26 -1.787 0.722 -7.405 208 HD3 PRO 26 2HD PRO 26 -2.895 -0.645 -7.627 209 H LEU 27 H LEU 27 0.055 -2.186 -3.256 210 HA LEU 27 HA LEU 27 2.266 -0.301 -3.510 211 HB2 LEU 27 1HB LEU 27 2.293 -0.004 -1.109 212 HB3 LEU 27 2HB LEU 27 0.724 0.410 -1.745 213 HG LEU 27 HG LEU 27 1.213 -2.288 -0.463 214 HD11 LEU 27 1HD1 LEU 27 0.319 0.240 0.894 215 HD12 LEU 27 2HD1 LEU 27 1.915 -0.492 1.052 216 HD13 LEU 27 3HD1 LEU 27 0.485 -1.358 1.636 217 HD21 LEU 27 3HD2 LEU 27 -0.878 -2.005 -1.716 218 HD22 LEU 27 1HD2 LEU 27 -1.240 -0.559 -0.773 219 HD23 LEU 27 2HD2 LEU 27 -1.179 -2.134 0.014 220 H ALA 28 H ALA 28 4.262 -0.963 -2.740 221 HA ALA 28 HA ALA 28 4.826 -3.732 -3.040 222 HB1 ALA 28 3HB ALA 28 6.469 -1.999 -3.633 223 HB2 ALA 28 1HB ALA 28 7.123 -3.117 -2.434 224 HB3 ALA 28 2HB ALA 28 6.568 -1.517 -1.939 225 H LEU 29 H LEU 29 5.446 -5.189 -1.480 226 HA LEU 29 HA LEU 29 4.012 -5.231 0.893 227 HB2 LEU 29 1HB LEU 29 6.581 -6.715 0.339 228 HB3 LEU 29 2HB LEU 29 5.425 -7.119 1.584 229 HG LEU 29 HG LEU 29 4.937 -7.268 -1.388 230 HD11 LEU 29 1HD1 LEU 29 5.322 -9.437 0.660 231 HD12 LEU 29 2HD1 LEU 29 6.451 -8.987 -0.620 232 HD13 LEU 29 3HD1 LEU 29 4.881 -9.679 -1.031 233 HD21 LEU 29 3HD2 LEU 29 3.156 -8.051 0.924 234 HD22 LEU 29 1HD2 LEU 29 2.834 -8.381 -0.781 235 HD23 LEU 29 2HD2 LEU 29 2.882 -6.719 -0.201 236 H THR 30 H THR 30 7.240 -3.944 0.338 237 HA THR 30 HA THR 30 7.823 -3.551 3.105 238 HB THR 30 HB THR 30 9.778 -2.330 1.895 239 HG1 THR 30 HG1 THR 30 9.818 -2.616 -0.288 240 HG21 THR 30 3HG2 THR 30 9.310 -5.309 1.565 241 HG22 THR 30 1HG2 THR 30 9.970 -4.531 3.002 242 HG23 THR 30 2HG2 THR 30 10.878 -4.512 1.488 243 H ALA 31 H ALA 31 6.011 -1.883 0.771 244 HA ALA 31 HA ALA 31 6.806 0.775 1.697 245 HB1 ALA 31 3HB ALA 31 4.993 -0.011 -0.572 246 HB2 ALA 31 1HB ALA 31 6.704 0.391 -0.711 247 HB3 ALA 31 2HB ALA 31 5.545 1.621 -0.198 248 H ILE 32 H ILE 32 4.848 -1.447 2.801 249 HA ILE 32 HA ILE 32 2.292 -0.417 2.986 250 HB ILE 32 HB ILE 32 2.692 -2.664 3.705 251 HG12 ILE 32 1HG1 ILE 32 1.551 -2.744 5.915 252 HG13 ILE 32 2HG1 ILE 32 1.806 -1.014 6.087 253 HG21 ILE 32 1HG2 ILE 32 4.381 -1.571 5.935 254 HG22 ILE 32 2HG2 ILE 32 4.937 -2.481 4.534 255 HG23 ILE 32 3HG2 ILE 32 3.909 -3.260 5.739 256 HD11 ILE 32 3HD1 ILE 32 0.132 -2.357 3.966 257 HD12 ILE 32 1HD1 ILE 32 0.390 -0.619 4.123 258 HD13 ILE 32 2HD1 ILE 32 -0.467 -1.504 5.386 259 H VAL 33 H VAL 33 5.030 0.342 5.087 260 HA VAL 33 HA VAL 33 3.592 1.905 6.892 261 HB VAL 33 HB VAL 33 5.839 1.156 7.451 262 HG11 VAL 33 1HG1 VAL 33 6.866 3.024 5.321 263 HG12 VAL 33 2HG1 VAL 33 6.890 1.264 5.263 264 HG13 VAL 33 3HG1 VAL 33 7.857 2.119 6.469 265 HG21 VAL 33 3HG2 VAL 33 6.791 3.245 8.362 266 HG22 VAL 33 1HG2 VAL 33 5.051 3.134 8.622 267 HG23 VAL 33 2HG2 VAL 33 5.687 4.171 7.350 268 H ASP 34 H ASP 34 5.255 2.864 3.931 269 HA ASP 34 HA ASP 34 4.874 5.658 4.136 270 HB2 ASP 34 1HB ASP 34 6.509 4.737 2.599 271 HB3 ASP 34 2HB ASP 34 5.242 3.918 1.692 272 H HIS 35 H HIS 35 3.134 3.239 2.253 273 HA HIS 35 HA HIS 35 1.250 5.076 1.304 274 HB2 HIS 35 1HB HIS 35 1.542 2.998 0.088 275 HB3 HIS 35 2HB HIS 35 1.025 2.068 1.497 276 HD1 HIS 35 HD1 HIS 35 -0.341 4.294 -1.207 277 HD2 HIS 35 HD2 HIS 35 -1.685 2.010 1.961 278 HE1 HIS 35 HE1 HIS 35 -2.826 4.300 -1.427 279 H LEU 36 H LEU 36 1.088 2.892 4.117 280 HA LEU 36 HA LEU 36 -1.597 3.575 4.674 281 HB2 LEU 36 1HB LEU 36 -0.534 1.490 5.445 282 HB3 LEU 36 2HB LEU 36 0.540 2.398 6.464 283 HG LEU 36 HG LEU 36 -2.448 2.443 6.901 284 HD11 LEU 36 1HD1 LEU 36 -0.442 0.460 7.974 285 HD12 LEU 36 2HD1 LEU 36 -1.765 0.103 6.860 286 HD13 LEU 36 3HD1 LEU 36 -2.113 0.609 8.512 287 HD21 LEU 36 3HD2 LEU 36 -0.104 2.783 8.791 288 HD22 LEU 36 1HD2 LEU 36 -1.809 2.902 9.220 289 HD23 LEU 36 2HD2 LEU 36 -1.086 4.093 8.136 290 H GLU 37 H GLU 37 1.449 5.022 5.490 291 HA GLU 37 HA GLU 37 0.426 6.818 7.451 292 HB2 GLU 37 1HB GLU 37 2.798 6.068 7.258 293 HB3 GLU 37 2HB GLU 37 2.935 7.001 5.783 294 HG2 GLU 37 1HG GLU 37 3.923 8.187 7.643 295 HG3 GLU 37 2HG GLU 37 2.504 9.050 7.049 296 H ASN 38 H ASN 38 0.521 6.850 3.856 297 HA ASN 38 HA ASN 38 0.182 9.726 3.856 298 HB2 ASN 38 1HB ASN 38 1.835 8.475 2.314 299 HB3 ASN 38 2HB ASN 38 0.418 7.840 1.506 300 HD21 ASN 38 2HD2 ASN 38 2.554 9.515 0.484 301 HD22 ASN 38 1HD2 ASN 38 1.812 10.929 -0.148 302 H HIS 39 H HIS 39 -1.465 6.743 3.622 303 HA HIS 39 HA HIS 39 -3.304 8.064 2.217 304 HB2 HIS 39 1HB HIS 39 -4.544 6.089 1.730 305 HB3 HIS 39 2HB HIS 39 -2.863 5.643 1.957 306 HD2 HIS 39 HD2 HIS 39 -3.904 5.552 5.457 307 HE1 HIS 39 HE1 HIS 39 -5.494 1.897 4.037 308 HE2 HIS 39 HE2 HIS 39 -5.254 3.436 5.966 309 H CYS 40 H CYS 40 -5.660 8.461 2.982 310 HA CYS 40 HA CYS 40 -5.577 9.269 5.744 311 HB2 CYS 40 1HB CYS 40 -7.783 10.319 5.165 312 HB3 CYS 40 2HB CYS 40 -6.428 10.892 4.199 313 HG CYS 40 HG CYS 40 -9.012 8.910 3.293 314 H ALA 41 H ALA 41 -6.545 8.223 7.342 315 HA ALA 41 HA ALA 41 -8.259 5.972 6.664 316 HB1 ALA 41 3HB ALA 41 -6.348 5.490 8.108 317 HB2 ALA 41 1HB ALA 41 -7.862 5.256 8.977 318 HB3 ALA 41 2HB ALA 41 -6.899 6.707 9.259 319 H GLY 42 H GLY 42 -10.323 5.882 7.433 320 HA2 GLY 42 1HA GLY 42 -12.233 6.560 8.595 321 HA3 GLY 42 2HA GLY 42 -11.376 7.999 9.137 322 H ALA 43 H ALA 43 -10.470 8.716 6.529 323 HA ALA 43 HA ALA 43 -12.979 9.580 5.273 324 HB1 ALA 43 3HB ALA 43 -11.779 11.454 6.324 325 HB2 ALA 43 1HB ALA 43 -11.780 11.599 4.564 326 HB3 ALA 43 2HB ALA 43 -10.334 11.034 5.397 327 H SER 44 H SER 44 -12.712 9.926 2.902 328 HA SER 44 HA SER 44 -10.665 8.151 1.830 329 HB2 SER 44 1HB SER 44 -13.530 8.364 0.884 330 HB3 SER 44 2HB SER 44 -12.298 7.259 0.282 331 HG SER 44 HG SER 44 -13.793 7.161 2.603 Start of MODEL 19 1 H1 ASN 1 1H ASN 1 20.871 17.843 -9.318 2 H2 ASN 1 2H ASN 1 22.098 18.133 -10.411 3 H3 ASN 1 3H ASN 1 22.464 17.434 -8.911 4 HA ASN 1 HA ASN 1 22.516 15.801 -10.639 5 HB2 ASN 1 1HB ASN 1 20.111 15.511 -8.822 6 HB3 ASN 1 2HB ASN 1 20.813 14.206 -9.760 7 HD21 ASN 1 2HD2 ASN 1 21.329 12.987 -8.047 8 HD22 ASN 1 1HD2 ASN 1 22.571 13.401 -6.909 9 HA PRO 2 HA PRO 2 19.422 16.817 -13.778 10 HB2 PRO 2 1HB PRO 2 20.937 16.196 -15.903 11 HB3 PRO 2 2HB PRO 2 21.196 17.699 -15.010 12 HG2 PRO 2 1HG PRO 2 22.742 15.146 -14.899 13 HG3 PRO 2 2HG PRO 2 23.319 16.822 -14.857 14 HD2 PRO 2 1HD PRO 2 22.991 15.186 -12.656 15 HD3 PRO 2 2HD PRO 2 23.064 16.961 -12.604 16 H ASN 3 H ASN 3 20.634 14.084 -12.525 17 HA ASN 3 HA ASN 3 18.730 12.409 -13.852 18 HB2 ASN 3 1HB ASN 3 20.861 12.107 -15.173 19 HB3 ASN 3 2HB ASN 3 21.665 11.627 -13.686 20 HD21 ASN 3 2HD2 ASN 3 19.337 10.725 -16.090 21 HD22 ASN 3 1HD2 ASN 3 19.266 9.053 -15.695 22 H ALA 4 H ALA 4 18.109 10.795 -12.429 23 HA ALA 4 HA ALA 4 18.373 11.285 -9.692 24 HB1 ALA 4 3HB ALA 4 17.219 9.156 -9.391 25 HB2 ALA 4 1HB ALA 4 17.530 8.741 -11.076 26 HB3 ALA 4 2HB ALA 4 16.475 10.096 -10.685 27 H GLN 5 H GLN 5 19.378 9.989 -8.065 28 HA GLN 5 HA GLN 5 22.014 9.157 -8.729 29 HB2 GLN 5 1HB GLN 5 21.417 10.123 -6.536 30 HB3 GLN 5 2HB GLN 5 20.395 8.732 -6.201 31 HG2 GLN 5 1HG GLN 5 22.512 8.575 -5.034 32 HG3 GLN 5 2HG GLN 5 22.340 7.286 -6.222 33 HE21 GLN 5 2HE2 GLN 5 23.173 10.594 -7.056 34 HE22 GLN 5 1HE2 GLN 5 24.780 10.226 -7.560 35 H LEU 6 H LEU 6 22.750 7.080 -9.140 36 HA LEU 6 HA LEU 6 20.811 5.134 -9.827 37 HB2 LEU 6 1HB LEU 6 23.107 5.448 -10.886 38 HB3 LEU 6 2HB LEU 6 23.797 4.742 -9.447 39 HG LEU 6 HG LEU 6 21.919 3.270 -11.328 40 HD11 LEU 6 1HD1 LEU 6 23.913 2.152 -12.167 41 HD12 LEU 6 2HD1 LEU 6 24.921 3.188 -11.155 42 HD13 LEU 6 3HD1 LEU 6 23.970 3.890 -12.464 43 HD21 LEU 6 3HD2 LEU 6 22.764 1.242 -10.230 44 HD22 LEU 6 1HD2 LEU 6 21.999 2.308 -9.052 45 HD23 LEU 6 2HD2 LEU 6 23.756 2.226 -9.155 46 H ILE 7 H ILE 7 19.746 4.042 -8.429 47 HA ILE 7 HA ILE 7 21.035 3.061 -5.989 48 HB ILE 7 HB ILE 7 18.155 4.029 -6.260 49 HG12 ILE 7 1HG1 ILE 7 19.728 5.925 -6.048 50 HG13 ILE 7 2HG1 ILE 7 18.700 5.779 -4.632 51 HG21 ILE 7 1HG2 ILE 7 19.546 2.867 -3.848 52 HG22 ILE 7 2HG2 ILE 7 18.283 2.098 -4.809 53 HG23 ILE 7 3HG2 ILE 7 17.918 3.546 -3.864 54 HD11 ILE 7 3HD1 ILE 7 20.980 6.328 -4.006 55 HD12 ILE 7 1HD1 ILE 7 21.575 4.890 -4.841 56 HD13 ILE 7 2HD1 ILE 7 20.552 4.721 -3.415 57 H GLU 8 H GLU 8 21.283 0.976 -6.523 58 HA GLU 8 HA GLU 8 19.553 -0.303 -8.361 59 HB2 GLU 8 1HB GLU 8 21.961 -0.918 -8.013 60 HB3 GLU 8 2HB GLU 8 21.505 -1.563 -6.441 61 HG2 GLU 8 1HG GLU 8 21.681 -3.356 -8.064 62 HG3 GLU 8 2HG GLU 8 20.012 -3.165 -7.523 63 H ASP 9 H ASP 9 17.898 -1.599 -7.966 64 HA ASP 9 HA ASP 9 16.790 -1.459 -5.290 65 HB2 ASP 9 1HB ASP 9 15.434 -0.913 -7.374 66 HB3 ASP 9 2HB ASP 9 15.527 -2.626 -7.775 67 HA PRO 10 HA PRO 10 18.822 -5.393 -4.951 68 HB2 PRO 10 1HB PRO 10 18.648 -5.661 -2.293 69 HB3 PRO 10 2HB PRO 10 19.751 -4.509 -3.050 70 HG2 PRO 10 1HG PRO 10 17.104 -4.026 -1.754 71 HG3 PRO 10 2HG PRO 10 18.571 -3.036 -1.708 72 HD2 PRO 10 1HD PRO 10 16.389 -2.557 -3.324 73 HD3 PRO 10 2HD PRO 10 18.027 -1.959 -3.633 74 H LEU 11 H LEU 11 17.980 -7.336 -5.362 75 HA LEU 11 HA LEU 11 15.551 -7.921 -3.940 76 HB2 LEU 11 1HB LEU 11 14.825 -9.427 -5.783 77 HB3 LEU 11 2HB LEU 11 14.922 -7.748 -6.229 78 HG LEU 11 HG LEU 11 17.311 -8.594 -7.153 79 HD11 LEU 11 1HD1 LEU 11 16.964 -10.895 -6.446 80 HD12 LEU 11 2HD1 LEU 11 17.087 -10.754 -8.201 81 HD13 LEU 11 3HD1 LEU 11 15.512 -10.987 -7.445 82 HD21 LEU 11 3HD2 LEU 11 14.666 -8.836 -8.553 83 HD22 LEU 11 1HD2 LEU 11 16.244 -8.785 -9.348 84 HD23 LEU 11 2HD2 LEU 11 15.677 -7.390 -8.433 85 H ASP 12 H ASP 12 16.379 -8.687 -2.260 86 HA ASP 12 HA ASP 12 17.749 -11.301 -2.348 87 HB2 ASP 12 1HB ASP 12 18.753 -9.518 -0.876 88 HB3 ASP 12 2HB ASP 12 17.226 -9.438 -0.011 89 H LYS 13 H LYS 13 15.180 -9.398 -1.089 90 HA LYS 13 HA LYS 13 13.393 -11.669 -0.438 91 HB2 LYS 13 1HB LYS 13 13.164 -8.670 -0.289 92 HB3 LYS 13 2HB LYS 13 11.893 -9.811 0.097 93 HG2 LYS 13 1HG LYS 13 13.145 -10.578 2.006 94 HG3 LYS 13 2HG LYS 13 14.525 -9.565 1.568 95 HD2 LYS 13 1HD LYS 13 13.162 -8.537 3.365 96 HD3 LYS 13 2HD LYS 13 13.180 -7.553 1.903 97 HE2 LYS 13 1HE LYS 13 10.972 -8.521 1.282 98 HE3 LYS 13 2HE LYS 13 10.956 -9.398 2.807 99 HZ1 LYS 13 3HZ LYS 13 10.958 -7.265 3.965 100 HZ2 LYS 13 1HZ LYS 13 9.677 -7.348 2.873 101 HZ3 LYS 13 2HZ LYS 13 11.017 -6.458 2.475 102 HA PRO 14 HA PRO 14 11.461 -11.048 -4.200 103 HB2 PRO 14 1HB PRO 14 9.244 -12.493 -3.774 104 HB3 PRO 14 2HB PRO 14 10.891 -13.209 -3.721 105 HG2 PRO 14 1HG PRO 14 9.252 -12.341 -1.385 106 HG3 PRO 14 2HG PRO 14 9.955 -13.942 -1.713 107 HD2 PRO 14 1HD PRO 14 11.226 -12.056 -0.247 108 HD3 PRO 14 2HD PRO 14 12.088 -13.242 -1.254 109 H ILE 15 H ILE 15 10.476 -9.209 -4.730 110 HA ILE 15 HA ILE 15 9.121 -7.710 -2.644 111 HB ILE 15 HB ILE 15 9.879 -6.836 -5.408 112 HG12 ILE 15 1HG1 ILE 15 11.895 -7.405 -4.130 113 HG13 ILE 15 2HG1 ILE 15 11.804 -5.663 -4.350 114 HG21 ILE 15 1HG2 ILE 15 9.033 -5.211 -3.004 115 HG22 ILE 15 2HG2 ILE 15 8.098 -5.470 -4.477 116 HG23 ILE 15 3HG2 ILE 15 9.583 -4.528 -4.536 117 HD11 ILE 15 3HD1 ILE 15 12.548 -6.237 -2.119 118 HD12 ILE 15 1HD1 ILE 15 11.095 -7.198 -1.850 119 HD13 ILE 15 2HD1 ILE 15 10.972 -5.449 -2.046 120 H GLN 16 H GLN 16 7.119 -7.831 -2.513 121 HA GLN 16 HA GLN 16 5.578 -8.614 -4.866 122 HB2 GLN 16 1HB GLN 16 4.812 -9.067 -1.984 123 HB3 GLN 16 2HB GLN 16 3.918 -9.602 -3.400 124 HG2 GLN 16 1HG GLN 16 6.605 -10.577 -2.442 125 HG3 GLN 16 2HG GLN 16 5.101 -11.483 -2.527 126 HE21 GLN 16 2HE2 GLN 16 4.442 -10.426 -5.242 127 HE22 GLN 16 1HE2 GLN 16 5.537 -11.223 -6.298 128 H TYR 17 H TYR 17 3.502 -7.784 -5.144 129 HA TYR 17 HA TYR 17 3.183 -5.088 -4.053 130 HB2 TYR 17 1HB TYR 17 2.468 -6.067 -6.842 131 HB3 TYR 17 2HB TYR 17 2.336 -4.413 -6.242 132 HD1 TYR 17 HD2 TYR 17 4.653 -7.044 -7.342 133 HD2 TYR 17 HD1 TYR 17 4.313 -2.992 -6.086 134 HE1 TYR 17 HE2 TYR 17 6.934 -6.662 -8.071 135 HE2 TYR 17 HE1 TYR 17 6.629 -2.576 -6.830 136 HH TYR 17 HH TYR 17 8.667 -3.809 -7.248 137 H ARG 18 H ARG 18 1.361 -4.833 -3.041 138 HA ARG 18 HA ARG 18 -0.827 -6.767 -3.424 139 HB2 ARG 18 1HB ARG 18 0.323 -7.267 -1.370 140 HB3 ARG 18 2HB ARG 18 0.329 -5.585 -0.900 141 HG2 ARG 18 1HG ARG 18 -2.038 -5.640 -0.501 142 HG3 ARG 18 2HG ARG 18 -2.143 -7.298 -1.123 143 HD2 ARG 18 1HD ARG 18 -0.721 -8.085 0.654 144 HD3 ARG 18 2HD ARG 18 -0.475 -6.442 1.237 145 HE ARG 18 HE ARG 18 -3.059 -6.583 1.502 146 HH11 ARG 18 1HH1 ARG 18 -0.792 -9.256 2.132 147 HH12 ARG 18 2HH1 ARG 18 -1.667 -9.836 3.475 148 HH21 ARG 18 1HH2 ARG 18 -4.227 -7.408 3.315 149 HH22 ARG 18 2HH2 ARG 18 -3.648 -8.775 4.169 150 H VAL 19 H VAL 19 -2.924 -5.879 -3.329 151 HA VAL 19 HA VAL 19 -2.960 -3.015 -3.738 152 HB VAL 19 HB VAL 19 -5.276 -3.218 -4.452 153 HG11 VAL 19 1HG1 VAL 19 -3.597 -3.562 -6.132 154 HG12 VAL 19 2HG1 VAL 19 -4.989 -4.602 -6.454 155 HG13 VAL 19 3HG1 VAL 19 -3.524 -5.285 -5.752 156 HG21 VAL 19 3HG2 VAL 19 -5.060 -6.171 -3.823 157 HG22 VAL 19 1HG2 VAL 19 -6.412 -5.391 -4.645 158 HG23 VAL 19 2HG2 VAL 19 -6.051 -4.988 -2.968 159 H CYS 20 H CYS 20 -3.898 -1.589 -2.523 160 HA CYS 20 HA CYS 20 -4.355 -2.290 0.228 161 HB2 CYS 20 1HB CYS 20 -3.192 -0.253 -0.179 162 HB3 CYS 20 2HB CYS 20 -4.465 0.327 -1.242 163 H GLU 21 H GLU 21 -6.141 -2.114 1.368 164 HA GLU 21 HA GLU 21 -8.566 -3.029 0.621 165 HB2 GLU 21 1HB GLU 21 -7.795 -2.932 2.842 166 HB3 GLU 21 2HB GLU 21 -7.683 -1.189 2.798 167 HG2 GLU 21 1HG GLU 21 -10.202 -1.205 2.535 168 HG3 GLU 21 2HG GLU 21 -10.114 -2.909 3.011 169 H LYS 22 H LYS 22 -8.039 0.375 1.503 170 HA LYS 22 HA LYS 22 -10.566 0.987 0.250 171 HB2 LYS 22 1HB LYS 22 -10.328 3.226 1.393 172 HB3 LYS 22 2HB LYS 22 -10.491 1.811 2.419 173 HG2 LYS 22 1HG LYS 22 -8.166 1.857 2.974 174 HG3 LYS 22 2HG LYS 22 -7.850 3.106 1.771 175 HD2 LYS 22 1HD LYS 22 -7.925 4.050 4.030 176 HD3 LYS 22 2HD LYS 22 -9.208 4.685 3.018 177 HE2 LYS 22 1HE LYS 22 -10.101 4.215 5.229 178 HE3 LYS 22 2HE LYS 22 -10.824 3.129 4.057 179 HZ1 LYS 22 3HZ LYS 22 -10.200 2.084 6.172 180 HZ2 LYS 22 1HZ LYS 22 -8.587 2.393 5.888 181 HZ3 LYS 22 2HZ LYS 22 -9.460 1.305 4.915 182 H CYS 23 H CYS 23 -7.404 1.220 -0.694 183 HA CYS 23 HA CYS 23 -8.011 3.539 -2.388 184 HB2 CYS 23 1HB CYS 23 -5.341 2.205 -1.962 185 HB3 CYS 23 2HB CYS 23 -5.632 3.693 -2.855 186 H GLY 24 H GLY 24 -7.332 0.078 -2.596 187 HA2 GLY 24 1HA GLY 24 -7.523 -1.344 -4.355 188 HA3 GLY 24 2HA GLY 24 -8.158 -0.027 -5.328 189 H LYS 25 H LYS 25 -5.322 0.889 -3.954 190 HA LYS 25 HA LYS 25 -3.886 0.774 -6.471 191 HB2 LYS 25 1HB LYS 25 -3.870 2.814 -5.147 192 HB3 LYS 25 2HB LYS 25 -3.094 1.951 -3.824 193 HG2 LYS 25 1HG LYS 25 -1.187 1.447 -5.252 194 HG3 LYS 25 2HG LYS 25 -1.939 2.322 -6.581 195 HD2 LYS 25 1HD LYS 25 -2.003 4.252 -5.239 196 HD3 LYS 25 2HD LYS 25 -1.100 3.461 -3.936 197 HE2 LYS 25 1HE LYS 25 -0.130 3.972 -6.770 198 HE3 LYS 25 2HE LYS 25 0.471 4.740 -5.306 199 HZ1 LYS 25 3HZ LYS 25 0.734 1.809 -5.889 200 HZ2 LYS 25 1HZ LYS 25 1.373 2.632 -4.569 201 HZ3 LYS 25 2HZ LYS 25 1.934 2.932 -6.115 202 HA PRO 26 HA PRO 26 -1.361 -2.614 -4.877 203 HB2 PRO 26 1HB PRO 26 0.273 -2.843 -7.016 204 HB3 PRO 26 2HB PRO 26 -1.370 -3.498 -7.029 205 HG2 PRO 26 1HG PRO 26 -0.325 -0.987 -8.243 206 HG3 PRO 26 2HG PRO 26 -1.530 -2.124 -8.875 207 HD2 PRO 26 1HD PRO 26 -2.124 0.271 -7.661 208 HD3 PRO 26 2HD PRO 26 -3.234 -1.113 -7.741 209 H LEU 27 H LEU 27 0.423 -2.495 -3.715 210 HA LEU 27 HA LEU 27 2.487 -0.526 -4.292 211 HB2 LEU 27 1HB LEU 27 2.634 0.037 -1.878 212 HB3 LEU 27 2HB LEU 27 1.166 0.614 -2.636 213 HG LEU 27 HG LEU 27 0.996 -2.003 -1.209 214 HD11 LEU 27 1HD1 LEU 27 0.647 -0.889 0.910 215 HD12 LEU 27 2HD1 LEU 27 1.076 0.666 0.188 216 HD13 LEU 27 3HD1 LEU 27 2.289 -0.613 0.335 217 HD21 LEU 27 3HD2 LEU 27 -0.807 0.414 -1.414 218 HD22 LEU 27 1HD2 LEU 27 -1.209 -1.122 -0.639 219 HD23 LEU 27 2HD2 LEU 27 -0.929 -1.050 -2.381 220 H ALA 28 H ALA 28 4.486 -1.131 -3.306 221 HA ALA 28 HA ALA 28 4.752 -4.009 -3.004 222 HB1 ALA 28 3HB ALA 28 7.127 -3.545 -2.861 223 HB2 ALA 28 1HB ALA 28 6.806 -1.812 -2.790 224 HB3 ALA 28 2HB ALA 28 6.434 -2.718 -4.258 225 H LEU 29 H LEU 29 5.320 -5.038 -1.288 226 HA LEU 29 HA LEU 29 4.228 -4.249 1.142 227 HB2 LEU 29 1HB LEU 29 6.046 -6.462 0.348 228 HB3 LEU 29 2HB LEU 29 5.724 -6.199 2.045 229 HG LEU 29 HG LEU 29 3.386 -6.736 1.765 230 HD11 LEU 29 1HD1 LEU 29 2.972 -5.652 -0.398 231 HD12 LEU 29 2HD1 LEU 29 2.403 -7.320 -0.386 232 HD13 LEU 29 3HD1 LEU 29 3.911 -6.906 -1.203 233 HD21 LEU 29 3HD2 LEU 29 5.059 -8.599 0.151 234 HD22 LEU 29 1HD2 LEU 29 3.525 -8.999 0.919 235 HD23 LEU 29 2HD2 LEU 29 4.937 -8.602 1.920 236 H THR 30 H THR 30 7.440 -3.618 -0.022 237 HA THR 30 HA THR 30 8.707 -3.123 2.452 238 HB THR 30 HB THR 30 9.322 -1.737 -0.152 239 HG1 THR 30 HG1 THR 30 10.697 -4.001 0.112 240 HG21 THR 30 3HG2 THR 30 11.075 -2.830 2.068 241 HG22 THR 30 1HG2 THR 30 10.665 -1.132 1.831 242 HG23 THR 30 2HG2 THR 30 11.644 -1.974 0.634 243 H ALA 31 H ALA 31 6.450 -1.333 0.528 244 HA ALA 31 HA ALA 31 7.137 1.201 1.816 245 HB1 ALA 31 3HB ALA 31 7.172 1.182 -0.611 246 HB2 ALA 31 1HB ALA 31 5.902 2.235 0.010 247 HB3 ALA 31 2HB ALA 31 5.491 0.643 -0.634 248 H ILE 32 H ILE 32 5.251 -1.261 2.544 249 HA ILE 32 HA ILE 32 2.631 -0.403 2.572 250 HB ILE 32 HB ILE 32 3.153 -2.728 3.141 251 HG12 ILE 32 1HG1 ILE 32 1.626 -3.083 5.054 252 HG13 ILE 32 2HG1 ILE 32 1.704 -1.370 5.437 253 HG21 ILE 32 1HG2 ILE 32 5.177 -2.421 4.445 254 HG22 ILE 32 2HG2 ILE 32 4.009 -3.380 5.351 255 HG23 ILE 32 3HG2 ILE 32 4.247 -1.676 5.745 256 HD11 ILE 32 3HD1 ILE 32 0.577 -2.553 2.904 257 HD12 ILE 32 1HD1 ILE 32 0.624 -0.838 3.324 258 HD13 ILE 32 2HD1 ILE 32 -0.351 -1.953 4.279 259 H VAL 33 H VAL 33 5.065 0.255 5.055 260 HA VAL 33 HA VAL 33 3.225 1.471 6.814 261 HB VAL 33 HB VAL 33 5.210 2.404 8.025 262 HG11 VAL 33 1HG1 VAL 33 6.094 0.230 8.725 263 HG12 VAL 33 2HG1 VAL 33 5.360 -0.521 7.309 264 HG13 VAL 33 3HG1 VAL 33 4.339 0.191 8.556 265 HG21 VAL 33 3HG2 VAL 33 7.465 1.708 7.325 266 HG22 VAL 33 1HG2 VAL 33 6.710 2.745 6.113 267 HG23 VAL 33 2HG2 VAL 33 6.789 1.002 5.856 268 H ASP 34 H ASP 34 5.286 2.843 4.314 269 HA ASP 34 HA ASP 34 4.825 5.564 4.945 270 HB2 ASP 34 1HB ASP 34 5.452 4.342 2.240 271 HB3 ASP 34 2HB ASP 34 5.610 6.044 2.662 272 H HIS 35 H HIS 35 3.437 3.428 2.518 273 HA HIS 35 HA HIS 35 1.457 5.164 1.602 274 HB2 HIS 35 1HB HIS 35 1.918 3.136 0.339 275 HB3 HIS 35 2HB HIS 35 1.430 2.132 1.704 276 HD1 HIS 35 HD1 HIS 35 0.095 3.794 -1.261 277 HD2 HIS 35 HD2 HIS 35 -1.414 2.282 2.275 278 HE1 HIS 35 HE1 HIS 35 -2.406 3.695 -1.607 279 H LEU 36 H LEU 36 1.269 2.686 4.147 280 HA LEU 36 HA LEU 36 -1.459 2.988 4.601 281 HB2 LEU 36 1HB LEU 36 0.024 1.105 5.330 282 HB3 LEU 36 2HB LEU 36 0.588 2.118 6.633 283 HG LEU 36 HG LEU 36 -1.828 2.288 7.341 284 HD11 LEU 36 1HD1 LEU 36 -2.112 -0.009 5.420 285 HD12 LEU 36 2HD1 LEU 36 -2.902 1.565 5.311 286 HD13 LEU 36 3HD1 LEU 36 -3.308 0.464 6.625 287 HD21 LEU 36 3HD2 LEU 36 -0.202 0.934 8.541 288 HD22 LEU 36 1HD2 LEU 36 -0.464 -0.403 7.425 289 HD23 LEU 36 2HD2 LEU 36 -1.759 0.114 8.503 290 H GLU 37 H GLU 37 1.297 4.763 5.916 291 HA GLU 37 HA GLU 37 -0.453 6.192 7.676 292 HB2 GLU 37 1HB GLU 37 2.459 6.430 7.103 293 HB3 GLU 37 2HB GLU 37 1.615 7.583 8.121 294 HG2 GLU 37 1HG GLU 37 0.891 5.672 9.549 295 HG3 GLU 37 2HG GLU 37 1.932 4.634 8.574 296 H ASN 38 H ASN 38 0.586 6.763 4.318 297 HA ASN 38 HA ASN 38 -0.327 9.500 4.764 298 HB2 ASN 38 1HB ASN 38 0.951 10.217 2.805 299 HB3 ASN 38 2HB ASN 38 1.989 9.442 3.986 300 HD21 ASN 38 2HD2 ASN 38 3.549 9.115 2.392 301 HD22 ASN 38 1HD2 ASN 38 3.391 7.894 1.183 302 H HIS 39 H HIS 39 -1.508 6.756 3.851 303 HA HIS 39 HA HIS 39 -2.379 7.530 1.445 304 HB2 HIS 39 1HB HIS 39 -3.740 5.583 1.198 305 HB3 HIS 39 2HB HIS 39 -2.208 5.257 2.000 306 HD2 HIS 39 HD2 HIS 39 -3.769 6.036 5.057 307 HE1 HIS 39 HE1 HIS 39 -5.602 2.323 4.123 308 HE2 HIS 39 HE2 HIS 39 -4.902 3.908 5.945 309 H CYS 40 H CYS 40 -4.357 8.147 0.615 310 HA CYS 40 HA CYS 40 -5.845 9.847 2.469 311 HB2 CYS 40 1HB CYS 40 -5.526 10.085 -0.522 312 HB3 CYS 40 2HB CYS 40 -6.167 11.294 0.587 313 HG CYS 40 HG CYS 40 -3.039 10.347 1.345 314 H ALA 41 H ALA 41 -8.130 9.985 2.188 315 HA ALA 41 HA ALA 41 -9.357 7.565 1.214 316 HB1 ALA 41 3HB ALA 41 -10.587 10.052 2.425 317 HB2 ALA 41 1HB ALA 41 -10.150 8.588 3.303 318 HB3 ALA 41 2HB ALA 41 -11.437 8.542 2.099 319 H GLY 42 H GLY 42 -9.829 7.360 -0.848 320 HA2 GLY 42 1HA GLY 42 -10.963 8.050 -2.833 321 HA3 GLY 42 2HA GLY 42 -10.663 9.719 -2.363 322 H ALA 43 H ALA 43 -8.068 7.596 -1.893 323 HA ALA 43 HA ALA 43 -6.429 8.963 -3.746 324 HB1 ALA 43 3HB ALA 43 -5.908 6.386 -2.249 325 HB2 ALA 43 1HB ALA 43 -5.527 8.005 -1.667 326 HB3 ALA 43 2HB ALA 43 -4.694 7.354 -3.081 327 H SER 44 H SER 44 -6.932 8.748 -5.802 328 HA SER 44 HA SER 44 -6.590 6.274 -7.138 329 HB2 SER 44 1HB SER 44 -9.018 6.196 -6.326 330 HB3 SER 44 2HB SER 44 -9.311 7.639 -7.286 331 HG SER 44 HG SER 44 -8.749 5.033 -8.049 Start of MODEL 20 1 H1 ASN 1 1H ASN 1 32.487 -7.780 -34.055 2 H2 ASN 1 2H ASN 1 32.235 -8.141 -35.682 3 H3 ASN 1 3H ASN 1 32.059 -9.344 -34.483 4 HA ASN 1 HA ASN 1 30.377 -6.954 -34.713 5 HB2 ASN 1 1HB ASN 1 29.911 -8.586 -36.508 6 HB3 ASN 1 2HB ASN 1 29.805 -9.869 -35.310 7 HD21 ASN 1 2HD2 ASN 1 27.700 -10.395 -35.876 8 HD22 ASN 1 1HD2 ASN 1 26.357 -9.383 -35.513 9 HA PRO 2 HA PRO 2 30.241 -8.109 -30.388 10 HB2 PRO 2 1HB PRO 2 28.917 -5.915 -29.516 11 HB3 PRO 2 2HB PRO 2 30.640 -5.891 -29.894 12 HG2 PRO 2 1HG PRO 2 28.322 -4.944 -31.525 13 HG3 PRO 2 2HG PRO 2 29.921 -4.207 -31.321 14 HD2 PRO 2 1HD PRO 2 29.183 -5.684 -33.499 15 HD3 PRO 2 2HD PRO 2 30.863 -5.524 -32.947 16 H ASN 3 H ASN 3 28.825 -9.313 -29.379 17 HA ASN 3 HA ASN 3 26.062 -9.432 -30.300 18 HB2 ASN 3 1HB ASN 3 27.574 -11.110 -28.266 19 HB3 ASN 3 2HB ASN 3 25.901 -11.388 -28.732 20 HD21 ASN 3 2HD2 ASN 3 26.375 -10.785 -31.559 21 HD22 ASN 3 1HD2 ASN 3 27.220 -12.140 -32.192 22 H ALA 4 H ALA 4 28.004 -8.594 -27.587 23 HA ALA 4 HA ALA 4 27.770 -7.340 -25.776 24 HB1 ALA 4 3HB ALA 4 27.372 -5.656 -27.501 25 HB2 ALA 4 1HB ALA 4 26.568 -5.276 -25.978 26 HB3 ALA 4 2HB ALA 4 25.636 -5.914 -27.333 27 H GLN 5 H GLN 5 27.115 -8.688 -24.205 28 HA GLN 5 HA GLN 5 24.271 -8.878 -23.735 29 HB2 GLN 5 1HB GLN 5 26.599 -10.147 -22.275 30 HB3 GLN 5 2HB GLN 5 24.922 -10.371 -21.823 31 HG2 GLN 5 1HG GLN 5 26.000 -11.152 -24.521 32 HG3 GLN 5 2HG GLN 5 26.047 -12.230 -23.139 33 HE21 GLN 5 2HE2 GLN 5 23.278 -10.073 -23.820 34 HE22 GLN 5 1HE2 GLN 5 22.216 -11.340 -24.221 35 H LEU 6 H LEU 6 23.426 -7.164 -22.812 36 HA LEU 6 HA LEU 6 25.023 -5.567 -21.028 37 HB2 LEU 6 1HB LEU 6 22.204 -5.216 -22.047 38 HB3 LEU 6 2HB LEU 6 22.873 -4.188 -20.803 39 HG LEU 6 HG LEU 6 24.668 -3.524 -22.449 40 HD11 LEU 6 1HD1 LEU 6 22.874 -4.895 -24.433 41 HD12 LEU 6 2HD1 LEU 6 24.521 -5.363 -24.008 42 HD13 LEU 6 3HD1 LEU 6 24.226 -3.833 -24.826 43 HD21 LEU 6 3HD2 LEU 6 21.810 -2.884 -23.144 44 HD22 LEU 6 1HD2 LEU 6 23.222 -1.959 -23.651 45 HD23 LEU 6 2HD2 LEU 6 22.813 -2.066 -21.943 46 H ILE 7 H ILE 7 24.964 -5.568 -18.922 47 HA ILE 7 HA ILE 7 23.441 -7.701 -17.745 48 HB ILE 7 HB ILE 7 25.769 -7.727 -17.141 49 HG12 ILE 7 1HG1 ILE 7 24.130 -6.752 -14.783 50 HG13 ILE 7 2HG1 ILE 7 24.193 -8.403 -15.381 51 HG21 ILE 7 1HG2 ILE 7 25.444 -4.905 -16.152 52 HG22 ILE 7 2HG2 ILE 7 26.375 -5.441 -17.546 53 HG23 ILE 7 3HG2 ILE 7 26.877 -5.908 -15.921 54 HD11 ILE 7 3HD1 ILE 7 26.550 -8.537 -14.773 55 HD12 ILE 7 1HD1 ILE 7 25.546 -8.125 -13.382 56 HD13 ILE 7 2HD1 ILE 7 26.494 -6.874 -14.189 57 H GLU 8 H GLU 8 21.610 -7.364 -16.939 58 HA GLU 8 HA GLU 8 20.913 -4.714 -15.967 59 HB2 GLU 8 1HB GLU 8 19.204 -7.125 -16.609 60 HB3 GLU 8 2HB GLU 8 18.591 -5.553 -16.096 61 HG2 GLU 8 1HG GLU 8 19.507 -4.507 -18.080 62 HG3 GLU 8 2HG GLU 8 20.209 -6.037 -18.584 63 H ASP 9 H ASP 9 20.022 -4.518 -13.877 64 HA ASP 9 HA ASP 9 21.362 -6.249 -12.020 65 HB2 ASP 9 1HB ASP 9 19.491 -3.925 -11.515 66 HB3 ASP 9 2HB ASP 9 20.399 -4.771 -10.270 67 HA PRO 10 HA PRO 10 17.840 -8.957 -11.951 68 HB2 PRO 10 1HB PRO 10 18.804 -10.626 -10.004 69 HB3 PRO 10 2HB PRO 10 19.296 -10.728 -11.698 70 HG2 PRO 10 1HG PRO 10 20.698 -9.462 -9.384 71 HG3 PRO 10 2HG PRO 10 21.373 -10.417 -10.717 72 HD2 PRO 10 1HD PRO 10 21.516 -7.732 -10.629 73 HD3 PRO 10 2HD PRO 10 21.389 -8.627 -12.160 74 H LEU 11 H LEU 11 16.046 -9.095 -10.683 75 HA LEU 11 HA LEU 11 15.974 -7.361 -8.384 76 HB2 LEU 11 1HB LEU 11 14.096 -7.523 -10.069 77 HB3 LEU 11 2HB LEU 11 13.808 -9.155 -9.518 78 HG LEU 11 HG LEU 11 13.215 -8.274 -7.279 79 HD11 LEU 11 1HD1 LEU 11 14.492 -6.216 -7.292 80 HD12 LEU 11 2HD1 LEU 11 12.782 -5.869 -7.036 81 HD13 LEU 11 3HD1 LEU 11 13.509 -5.591 -8.617 82 HD21 LEU 11 3HD2 LEU 11 11.661 -7.078 -9.567 83 HD22 LEU 11 1HD2 LEU 11 11.060 -7.332 -7.927 84 HD23 LEU 11 2HD2 LEU 11 11.484 -8.716 -8.940 85 H ASP 12 H ASP 12 17.251 -8.307 -6.929 86 HA ASP 12 HA ASP 12 17.251 -11.121 -6.449 87 HB2 ASP 12 1HB ASP 12 19.298 -9.791 -6.196 88 HB3 ASP 12 2HB ASP 12 18.569 -8.916 -4.854 89 H LYS 13 H LYS 13 16.012 -8.325 -4.798 90 HA LYS 13 HA LYS 13 14.504 -10.096 -2.952 91 HB2 LYS 13 1HB LYS 13 15.704 -7.919 -2.083 92 HB3 LYS 13 2HB LYS 13 14.497 -7.127 -3.116 93 HG2 LYS 13 1HG LYS 13 12.688 -8.077 -1.846 94 HG3 LYS 13 2HG LYS 13 13.832 -8.916 -0.799 95 HD2 LYS 13 1HD LYS 13 14.719 -6.788 -0.043 96 HD3 LYS 13 2HD LYS 13 13.629 -5.926 -1.126 97 HE2 LYS 13 1HE LYS 13 12.746 -5.912 1.137 98 HE3 LYS 13 2HE LYS 13 11.705 -6.858 0.079 99 HZ1 LYS 13 3HZ LYS 13 12.073 -7.931 2.215 100 HZ2 LYS 13 1HZ LYS 13 13.733 -7.967 1.941 101 HZ3 LYS 13 2HZ LYS 13 12.683 -8.883 0.973 102 HA PRO 14 HA PRO 14 11.474 -9.572 -5.894 103 HB2 PRO 14 1HB PRO 14 9.709 -11.324 -4.936 104 HB3 PRO 14 2HB PRO 14 11.335 -11.797 -5.530 105 HG2 PRO 14 1HG PRO 14 10.507 -11.413 -2.691 106 HG3 PRO 14 2HG PRO 14 11.283 -12.818 -3.451 107 HD2 PRO 14 1HD PRO 14 12.669 -10.842 -2.213 108 HD3 PRO 14 2HD PRO 14 13.323 -11.798 -3.564 109 H ILE 15 H ILE 15 10.314 -7.888 -5.927 110 HA ILE 15 HA ILE 15 9.080 -6.847 -3.507 111 HB ILE 15 HB ILE 15 9.251 -5.608 -6.217 112 HG12 ILE 15 1HG1 ILE 15 10.996 -5.065 -3.793 113 HG13 ILE 15 2HG1 ILE 15 11.509 -5.930 -5.236 114 HG21 ILE 15 1HG2 ILE 15 8.527 -4.427 -3.526 115 HG22 ILE 15 2HG2 ILE 15 7.430 -4.698 -4.878 116 HG23 ILE 15 3HG2 ILE 15 8.709 -3.486 -5.006 117 HD11 ILE 15 3HD1 ILE 15 12.348 -3.647 -5.220 118 HD12 ILE 15 1HD1 ILE 15 10.700 -3.028 -5.096 119 HD13 ILE 15 2HD1 ILE 15 11.213 -3.879 -6.551 120 H GLN 16 H GLN 16 7.320 -7.737 -3.221 121 HA GLN 16 HA GLN 16 5.512 -8.317 -5.409 122 HB2 GLN 16 1HB GLN 16 5.348 -9.131 -2.510 123 HB3 GLN 16 2HB GLN 16 4.107 -9.490 -3.701 124 HG2 GLN 16 1HG GLN 16 6.957 -10.452 -3.697 125 HG3 GLN 16 2HG GLN 16 5.502 -11.421 -3.475 126 HE21 GLN 16 2HE2 GLN 16 4.152 -11.775 -5.299 127 HE22 GLN 16 1HE2 GLN 16 4.760 -11.549 -6.909 128 H TYR 17 H TYR 17 3.288 -7.772 -5.254 129 HA TYR 17 HA TYR 17 3.030 -5.052 -4.182 130 HB2 TYR 17 1HB TYR 17 1.730 -6.145 -6.688 131 HB3 TYR 17 2HB TYR 17 1.806 -4.469 -6.147 132 HD1 TYR 17 HD1 TYR 17 3.860 -3.169 -6.404 133 HD2 TYR 17 HD2 TYR 17 3.632 -7.198 -7.725 134 HE1 TYR 17 HE1 TYR 17 5.955 -2.877 -7.642 135 HE2 TYR 17 HE2 TYR 17 5.693 -6.956 -8.958 136 HH TYR 17 HH TYR 17 7.740 -4.207 -8.502 137 H ARG 18 H ARG 18 1.490 -4.923 -2.734 138 HA ARG 18 HA ARG 18 -0.744 -6.797 -2.921 139 HB2 ARG 18 1HB ARG 18 0.583 -7.278 -0.921 140 HB3 ARG 18 2HB ARG 18 0.512 -5.599 -0.427 141 HG2 ARG 18 1HG ARG 18 -1.821 -5.746 0.035 142 HG3 ARG 18 2HG ARG 18 -1.919 -7.341 -0.705 143 HD2 ARG 18 1HD ARG 18 -1.924 -7.462 1.764 144 HD3 ARG 18 2HD ARG 18 -0.550 -8.286 1.062 145 HE ARG 18 HE ARG 18 0.817 -6.439 1.703 146 HH11 ARG 18 1HH1 ARG 18 -2.394 -6.526 3.279 147 HH12 ARG 18 2HH1 ARG 18 -1.875 -5.688 4.657 148 HH21 ARG 18 1HH2 ARG 18 1.507 -5.367 3.697 149 HH22 ARG 18 2HH2 ARG 18 0.339 -5.039 4.904 150 H VAL 19 H VAL 19 -2.746 -5.931 -2.952 151 HA VAL 19 HA VAL 19 -2.822 -3.106 -3.461 152 HB VAL 19 HB VAL 19 -5.222 -3.456 -4.025 153 HG11 VAL 19 1HG1 VAL 19 -3.540 -3.690 -5.767 154 HG12 VAL 19 2HG1 VAL 19 -4.851 -4.841 -6.031 155 HG13 VAL 19 3HG1 VAL 19 -3.322 -5.388 -5.348 156 HG21 VAL 19 3HG2 VAL 19 -5.722 -5.273 -2.492 157 HG22 VAL 19 1HG2 VAL 19 -4.647 -6.352 -3.386 158 HG23 VAL 19 2HG2 VAL 19 -6.116 -5.736 -4.147 159 H CYS 20 H CYS 20 -3.607 -1.574 -2.337 160 HA CYS 20 HA CYS 20 -4.112 -1.859 0.455 161 HB2 CYS 20 1HB CYS 20 -3.115 0.159 -0.323 162 HB3 CYS 20 2HB CYS 20 -4.419 0.434 -1.468 163 H GLU 21 H GLU 21 -6.055 -1.696 1.593 164 HA GLU 21 HA GLU 21 -8.381 -2.769 0.387 165 HB2 GLU 21 1HB GLU 21 -8.227 -1.321 3.034 166 HB3 GLU 21 2HB GLU 21 -9.380 -2.535 2.535 167 HG2 GLU 21 1HG GLU 21 -6.444 -3.033 2.930 168 HG3 GLU 21 2HG GLU 21 -7.696 -3.374 4.118 169 H LYS 22 H LYS 22 -7.496 0.459 1.490 170 HA LYS 22 HA LYS 22 -9.999 1.686 0.872 171 HB2 LYS 22 1HB LYS 22 -8.496 2.637 2.523 172 HB3 LYS 22 2HB LYS 22 -7.253 2.850 1.302 173 HG2 LYS 22 1HG LYS 22 -8.864 4.383 0.101 174 HG3 LYS 22 2HG LYS 22 -9.849 4.340 1.566 175 HD2 LYS 22 1HD LYS 22 -7.913 5.199 2.863 176 HD3 LYS 22 2HD LYS 22 -6.970 5.213 1.390 177 HE2 LYS 22 1HE LYS 22 -9.478 6.800 1.829 178 HE3 LYS 22 2HE LYS 22 -7.841 7.437 1.963 179 HZ1 LYS 22 3HZ LYS 22 -8.849 7.907 -0.188 180 HZ2 LYS 22 1HZ LYS 22 -9.044 6.279 -0.497 181 HZ3 LYS 22 2HZ LYS 22 -7.499 6.930 -0.396 182 H CYS 23 H CYS 23 -6.821 1.757 -0.703 183 HA CYS 23 HA CYS 23 -7.887 3.457 -2.778 184 HB2 CYS 23 1HB CYS 23 -5.085 2.405 -2.485 185 HB3 CYS 23 2HB CYS 23 -5.609 3.744 -3.498 186 H GLY 24 H GLY 24 -7.259 0.014 -2.508 187 HA2 GLY 24 1HA GLY 24 -7.261 -1.652 -4.052 188 HA3 GLY 24 2HA GLY 24 -8.239 -0.588 -5.068 189 H LYS 25 H LYS 25 -5.030 -0.104 -3.850 190 HA LYS 25 HA LYS 25 -4.002 0.070 -6.598 191 HB2 LYS 25 1HB LYS 25 -4.426 2.260 -5.280 192 HB3 LYS 25 2HB LYS 25 -3.105 1.758 -4.249 193 HG2 LYS 25 1HG LYS 25 -2.859 2.241 -7.221 194 HG3 LYS 25 2HG LYS 25 -2.514 3.444 -5.989 195 HD2 LYS 25 1HD LYS 25 -0.761 1.944 -5.089 196 HD3 LYS 25 2HD LYS 25 -1.107 0.806 -6.381 197 HE2 LYS 25 1HE LYS 25 -0.523 2.499 -8.053 198 HE3 LYS 25 2HE LYS 25 -0.163 3.648 -6.766 199 HZ1 LYS 25 3HZ LYS 25 1.818 2.609 -7.648 200 HZ2 LYS 25 1HZ LYS 25 1.246 1.080 -7.237 201 HZ3 LYS 25 2HZ LYS 25 1.616 2.195 -6.025 202 HA PRO 26 HA PRO 26 -1.269 -3.023 -4.816 203 HB2 PRO 26 1HB PRO 26 0.326 -3.300 -7.010 204 HB3 PRO 26 2HB PRO 26 -1.263 -4.067 -6.875 205 HG2 PRO 26 1HG PRO 26 -0.463 -1.582 -8.317 206 HG3 PRO 26 2HG PRO 26 -1.591 -2.854 -8.819 207 HD2 PRO 26 1HD PRO 26 -2.389 -0.464 -7.809 208 HD3 PRO 26 2HD PRO 26 -3.328 -1.956 -7.601 209 H LEU 27 H LEU 27 0.169 -2.437 -3.420 210 HA LEU 27 HA LEU 27 2.105 -0.382 -4.145 211 HB2 LEU 27 1HB LEU 27 2.203 0.093 -1.701 212 HB3 LEU 27 2HB LEU 27 0.648 0.422 -2.429 213 HG LEU 27 HG LEU 27 0.066 -1.980 -1.542 214 HD11 LEU 27 1HD1 LEU 27 1.089 -2.540 0.583 215 HD12 LEU 27 2HD1 LEU 27 2.259 -1.238 0.360 216 HD13 LEU 27 3HD1 LEU 27 2.241 -2.605 -0.755 217 HD21 LEU 27 3HD2 LEU 27 -0.785 -1.002 0.524 218 HD22 LEU 27 1HD2 LEU 27 -1.089 0.004 -0.887 219 HD23 LEU 27 2HD2 LEU 27 0.201 0.440 0.237 220 H ALA 28 H ALA 28 4.249 -0.684 -3.422 221 HA ALA 28 HA ALA 28 5.158 -3.363 -3.511 222 HB1 ALA 28 3HB ALA 28 7.364 -2.405 -2.995 223 HB2 ALA 28 1HB ALA 28 6.605 -0.861 -2.620 224 HB3 ALA 28 2HB ALA 28 6.555 -1.491 -4.268 225 H LEU 29 H LEU 29 5.491 -4.739 -1.917 226 HA LEU 29 HA LEU 29 4.219 -4.564 0.486 227 HB2 LEU 29 1HB LEU 29 5.204 -6.609 1.128 228 HB3 LEU 29 2HB LEU 29 5.011 -6.664 -0.603 229 HG LEU 29 HG LEU 29 7.598 -6.303 0.917 230 HD11 LEU 29 1HD1 LEU 29 6.708 -8.536 1.011 231 HD12 LEU 29 2HD1 LEU 29 8.160 -8.482 0.012 232 HD13 LEU 29 3HD1 LEU 29 6.573 -8.581 -0.747 233 HD21 LEU 29 3HD2 LEU 29 7.751 -5.060 -1.171 234 HD22 LEU 29 1HD2 LEU 29 7.146 -6.453 -2.067 235 HD23 LEU 29 2HD2 LEU 29 8.720 -6.526 -1.270 236 H THR 30 H THR 30 7.464 -3.452 -0.174 237 HA THR 30 HA THR 30 8.355 -3.238 2.487 238 HB THR 30 HB THR 30 9.288 -1.574 0.156 239 HG1 THR 30 HG1 THR 30 10.554 -3.417 -0.427 240 HG21 THR 30 3HG2 THR 30 11.483 -1.899 1.210 241 HG22 THR 30 1HG2 THR 30 10.752 -2.929 2.440 242 HG23 THR 30 2HG2 THR 30 10.346 -1.217 2.371 243 H ALA 31 H ALA 31 6.395 -1.201 0.400 244 HA ALA 31 HA ALA 31 6.930 1.209 1.962 245 HB1 ALA 31 3HB ALA 31 5.383 0.857 -0.595 246 HB2 ALA 31 1HB ALA 31 7.073 1.341 -0.465 247 HB3 ALA 31 2HB ALA 31 5.804 2.394 0.167 248 H ILE 32 H ILE 32 4.976 -1.264 2.429 249 HA ILE 32 HA ILE 32 2.375 -0.340 2.413 250 HB ILE 32 HB ILE 32 2.814 -2.692 2.789 251 HG12 ILE 32 1HG1 ILE 32 1.258 -3.164 4.690 252 HG13 ILE 32 2HG1 ILE 32 1.350 -1.468 5.139 253 HG21 ILE 32 1HG2 ILE 32 4.821 -2.573 4.117 254 HG22 ILE 32 2HG2 ILE 32 3.617 -3.570 4.938 255 HG23 ILE 32 3HG2 ILE 32 3.912 -1.919 5.478 256 HD11 ILE 32 3HD1 ILE 32 0.327 -0.869 2.980 257 HD12 ILE 32 1HD1 ILE 32 -0.694 -1.948 3.927 258 HD13 ILE 32 2HD1 ILE 32 0.232 -2.579 2.570 259 H VAL 33 H VAL 33 4.729 0.079 5.048 260 HA VAL 33 HA VAL 33 2.836 1.221 6.798 261 HB VAL 33 HB VAL 33 4.935 0.269 7.668 262 HG11 VAL 33 1HG1 VAL 33 7.063 1.449 7.520 263 HG12 VAL 33 2HG1 VAL 33 6.315 2.654 6.472 264 HG13 VAL 33 3HG1 VAL 33 6.461 0.989 5.922 265 HG21 VAL 33 3HG2 VAL 33 4.617 3.189 8.341 266 HG22 VAL 33 1HG2 VAL 33 5.491 2.007 9.315 267 HG23 VAL 33 2HG2 VAL 33 3.751 1.843 9.084 268 H ASP 34 H ASP 34 5.136 2.737 4.563 269 HA ASP 34 HA ASP 34 4.619 5.404 5.315 270 HB2 ASP 34 1HB ASP 34 5.539 4.328 2.640 271 HB3 ASP 34 2HB ASP 34 5.577 6.022 3.109 272 H HIS 35 H HIS 35 3.374 3.388 2.716 273 HA HIS 35 HA HIS 35 1.574 5.253 1.672 274 HB2 HIS 35 1HB HIS 35 2.039 3.255 0.354 275 HB3 HIS 35 2HB HIS 35 1.414 2.210 1.625 276 HD1 HIS 35 HD1 HIS 35 0.352 3.857 -1.471 277 HD2 HIS 35 HD2 HIS 35 -1.474 2.615 2.026 278 HE1 HIS 35 HE1 HIS 35 -2.103 3.891 -1.970 279 H LEU 36 H LEU 36 0.957 2.623 4.037 280 HA LEU 36 HA LEU 36 -1.773 3.275 4.222 281 HB2 LEU 36 1HB LEU 36 -0.729 1.069 4.772 282 HB3 LEU 36 2HB LEU 36 -0.103 1.785 6.237 283 HG LEU 36 HG LEU 36 -2.426 2.219 6.968 284 HD11 LEU 36 1HD1 LEU 36 -3.542 2.289 4.816 285 HD12 LEU 36 2HD1 LEU 36 -4.261 1.042 5.832 286 HD13 LEU 36 3HD1 LEU 36 -3.153 0.592 4.538 287 HD21 LEU 36 3HD2 LEU 36 -1.735 -0.641 6.323 288 HD22 LEU 36 1HD2 LEU 36 -2.931 -0.123 7.508 289 HD23 LEU 36 2HD2 LEU 36 -1.226 0.270 7.744 290 H GLU 37 H GLU 37 1.017 4.571 5.774 291 HA GLU 37 HA GLU 37 -0.402 5.789 7.886 292 HB2 GLU 37 1HB GLU 37 2.013 5.313 7.988 293 HB3 GLU 37 2HB GLU 37 2.292 6.504 6.730 294 HG2 GLU 37 1HG GLU 37 2.803 7.413 8.923 295 HG3 GLU 37 2HG GLU 37 1.436 8.256 8.190 296 H ASN 38 H ASN 38 0.759 7.055 4.641 297 HA ASN 38 HA ASN 38 -0.706 9.461 5.456 298 HB2 ASN 38 1HB ASN 38 0.768 10.892 4.291 299 HB3 ASN 38 2HB ASN 38 1.792 9.767 5.164 300 HD21 ASN 38 2HD2 ASN 38 0.755 10.902 2.071 301 HD22 ASN 38 1HD2 ASN 38 1.890 10.040 1.119 302 H HIS 39 H HIS 39 -1.298 6.989 3.749 303 HA HIS 39 HA HIS 39 -1.546 7.734 1.266 304 HB2 HIS 39 1HB HIS 39 -3.134 5.960 0.757 305 HB3 HIS 39 2HB HIS 39 -1.852 5.525 1.886 306 HD2 HIS 39 HD2 HIS 39 -3.752 6.632 4.537 307 HE1 HIS 39 HE1 HIS 39 -5.965 3.172 3.472 308 HE2 HIS 39 HE2 HIS 39 -5.687 5.063 5.096 309 H CYS 40 H CYS 40 -2.903 8.518 -0.174 310 HA CYS 40 HA CYS 40 -3.905 10.965 0.404 311 HB2 CYS 40 1HB CYS 40 -4.618 9.252 -1.956 312 HB3 CYS 40 2HB CYS 40 -4.642 11.013 -1.875 313 HG CYS 40 HG CYS 40 -1.893 11.259 -1.563 314 H ALA 41 H ALA 41 -5.569 11.471 1.592 315 HA ALA 41 HA ALA 41 -8.066 9.996 1.499 316 HB1 ALA 41 3HB ALA 41 -8.795 11.612 3.216 317 HB2 ALA 41 1HB ALA 41 -7.292 12.512 3.001 318 HB3 ALA 41 2HB ALA 41 -7.256 10.881 3.661 319 H GLY 42 H GLY 42 -9.914 10.843 0.504 320 HA2 GLY 42 1HA GLY 42 -11.106 12.304 -0.849 321 HA3 GLY 42 2HA GLY 42 -9.744 13.422 -0.801 322 H ALA 43 H ALA 43 -9.134 10.151 -1.521 323 HA ALA 43 HA ALA 43 -8.484 10.909 -4.271 324 HB1 ALA 43 3HB ALA 43 -6.556 10.214 -2.954 325 HB2 ALA 43 1HB ALA 43 -6.876 9.066 -4.254 326 HB3 ALA 43 2HB ALA 43 -7.346 8.674 -2.599 327 H SER 44 H SER 44 -9.127 9.625 -5.946 328 HA SER 44 HA SER 44 -10.773 7.315 -5.390 329 HB2 SER 44 1HB SER 44 -12.318 9.295 -5.514 330 HB3 SER 44 2HB SER 44 -11.675 9.675 -7.104 331 HG SER 44 HG SER 44 -12.396 7.424 -7.627
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