![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
![]() |
12716 |
1tfs ![]() ![]() |
cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 484 H/Q atoms Start of MODEL 1 1 NH1 ARG 1 NH1 ARG 1 12.574 4.666 5.142 2 NH2 ARG 1 NH2 ARG 1 11.444 6.674 5.073 3 1H ARG 1 2H ARG 1 14.723 2.810 -0.181 4 2H ARG 1 3H ARG 1 13.624 3.698 -1.025 5 3H ARG 1 1H ARG 1 14.413 4.385 0.247 6 HA ARG 1 HA ARG 1 13.311 2.899 1.769 7 1HB ARG 1 2HB ARG 1 12.228 5.054 1.292 8 2HB ARG 1 1HB ARG 1 11.540 4.398 -0.198 9 1HG ARG 1 1HG ARG 1 9.781 4.500 1.339 10 2HG ARG 1 2HG ARG 1 10.168 2.794 1.170 11 1HD ARG 1 2HD ARG 1 9.807 3.165 3.451 12 2HD ARG 1 1HD ARG 1 11.563 3.038 3.327 13 HE ARG 1 HE ARG 1 10.060 5.649 3.360 14 1HH1 ARG 1 1HH1 ARG 1 12.716 3.699 4.866 15 2HH1 ARG 1 2HH1 ARG 1 13.191 5.044 5.844 16 1HH2 ARG 1 1HH2 ARG 1 10.714 7.264 4.678 17 2HH2 ARG 1 2HH2 ARG 1 12.061 7.082 5.759 18 H ILE 2 H ILE 2 12.888 0.696 1.862 19 HA ILE 2 HA ILE 2 11.813 -0.679 -0.524 20 HB ILE 2 HB ILE 2 13.733 -1.347 1.443 21 1HG1 ILE 2 2HG1 ILE 2 13.597 -1.988 -0.983 22 2HG1 ILE 2 1HG1 ILE 2 14.097 -3.273 0.118 23 1HG2 ILE 2 2HG2 ILE 2 11.273 -3.095 1.829 24 2HG2 ILE 2 3HG2 ILE 2 12.924 -3.508 2.325 25 3HG2 ILE 2 1HG2 ILE 2 12.129 -2.106 3.039 26 1HD1 ILE 2 1HD1 ILE 2 11.199 -2.978 -0.770 27 2HD1 ILE 2 3HD1 ILE 2 12.393 -3.958 -1.644 28 3HD1 ILE 2 2HD1 ILE 2 11.964 -4.362 0.025 29 H CYS 3 H CYS 3 9.641 -1.115 -0.691 30 HA CYS 3 HA CYS 3 8.023 -1.260 1.787 31 1HB CYS 3 1HB CYS 3 7.949 1.024 -0.162 32 2HB CYS 3 2HB CYS 3 6.410 0.407 0.423 33 OH TYR 4 OH TYR 4 5.666 -7.269 4.858 34 H TYR 4 H TYR 4 5.629 -1.664 1.121 35 HA TYR 4 HA TYR 4 5.801 -4.022 -0.624 36 1HB TYR 4 2HB TYR 4 3.671 -2.835 1.161 37 2HB TYR 4 1HB TYR 4 3.409 -4.229 0.127 38 HD1 TYR 4 HD1 TYR 4 4.571 -6.392 0.534 39 HD2 TYR 4 HD2 TYR 4 4.895 -3.082 3.281 40 HE1 TYR 4 HE1 TYR 4 5.187 -7.952 2.372 41 HE2 TYR 4 HE2 TYR 4 5.382 -4.643 5.116 42 HH TYR 4 HH TYR 4 5.699 -6.846 5.718 43 H SER 5 H SER 5 4.571 -4.337 -2.459 44 HA SER 5 HA SER 5 3.092 -1.975 -3.567 45 1HB SER 5 2HB SER 5 4.131 -2.542 -5.768 46 2HB SER 5 1HB SER 5 5.262 -1.934 -4.548 47 HG SER 5 HG SER 5 6.195 -3.762 -5.457 48 H HIS 6 H HIS 6 3.794 -4.892 -5.195 49 HA HIS 6 HA HIS 6 2.502 -6.323 -6.400 50 1HB HIS 6 1HB HIS 6 1.307 -7.924 -5.036 51 2HB HIS 6 2HB HIS 6 2.961 -7.632 -4.490 52 HD1 HIS 6 HD1 HIS 6 3.306 -6.254 -2.240 53 HD2 HIS 6 HD2 HIS 6 -0.663 -7.343 -3.090 54 HE1 HIS 6 HE1 HIS 6 1.974 -6.070 -0.082 55 H LYS 7 H LYS 7 1.097 -5.675 -7.826 56 HA LYS 7 HA LYS 7 -1.320 -4.224 -7.179 57 1HB LYS 7 1HB LYS 7 -1.806 -4.265 -9.515 58 2HB LYS 7 2HB LYS 7 -0.122 -3.893 -9.243 59 1HG LYS 7 2HG LYS 7 -0.069 -5.237 -11.104 60 2HG LYS 7 1HG LYS 7 0.464 -6.306 -9.822 61 1HD LYS 7 2HD LYS 7 -1.056 -7.332 -11.523 62 2HD LYS 7 1HD LYS 7 -1.641 -7.533 -9.889 63 1HE LYS 7 1HE LYS 7 -3.444 -6.978 -11.475 64 2HE LYS 7 2HE LYS 7 -3.318 -5.767 -10.201 65 1HZ LYS 7 1HZ LYS 7 -2.213 -5.532 -12.921 66 2HZ LYS 7 3HZ LYS 7 -3.570 -4.784 -12.357 67 3HZ LYS 7 2HZ LYS 7 -2.095 -4.387 -11.740 68 H ALA 8 H ALA 8 -0.522 -7.618 -7.444 69 HA ALA 8 HA ALA 8 -3.301 -8.547 -7.625 70 1HB ALA 8 3HB ALA 8 -0.683 -9.990 -7.012 71 2HB ALA 8 1HB ALA 8 -2.265 -10.766 -7.240 72 3HB ALA 8 2HB ALA 8 -1.499 -9.901 -8.587 73 H SER 9 H SER 9 -4.491 -7.784 -5.834 74 HA SER 9 HA SER 9 -3.304 -7.510 -3.264 75 1HB SER 9 2HB SER 9 -5.920 -6.963 -2.894 76 2HB SER 9 1HB SER 9 -4.848 -5.889 -3.801 77 HG SER 9 HG SER 9 -6.690 -6.257 -5.003 78 H LEU 10 H LEU 10 -2.756 -9.967 -3.527 79 HA LEU 10 HA LEU 10 -4.312 -11.343 -1.495 80 1HB LEU 10 2HB LEU 10 -5.601 -12.131 -3.288 81 2HB LEU 10 1HB LEU 10 -4.225 -12.457 -4.310 82 HG LEU 10 HG LEU 10 -3.520 -14.291 -2.718 83 1HD1 LEU 10 1HD1 LEU 10 -6.157 -13.606 -1.338 84 2HD1 LEU 10 3HD1 LEU 10 -5.193 -15.067 -1.040 85 3HD1 LEU 10 2HD1 LEU 10 -4.534 -13.482 -0.623 86 1HD2 LEU 10 1HD2 LEU 10 -4.899 -14.770 -4.705 87 2HD2 LEU 10 2HD2 LEU 10 -5.310 -15.846 -3.358 88 3HD2 LEU 10 3HD2 LEU 10 -6.375 -14.482 -3.759 89 HA PRO 11 HA PRO 11 0.013 -13.247 -1.776 90 1HB PRO 11 2HB PRO 11 1.635 -12.857 -3.957 91 2HB PRO 11 1HB PRO 11 0.419 -14.161 -3.886 92 1HG PRO 11 1HG PRO 11 0.107 -11.406 -5.126 93 2HG PRO 11 2HG PRO 11 -0.238 -12.984 -5.898 94 1HD PRO 11 1HD PRO 11 -2.219 -11.524 -4.749 95 2HD PRO 11 2HD PRO 11 -2.183 -13.297 -4.526 96 NH1 ARG 12 NH2 ARG 12 0.629 -7.501 4.319 97 NH2 ARG 12 NH1 ARG 12 2.048 -6.065 3.277 98 H ARG 12 H ARG 12 2.378 -12.140 -1.776 99 HA ARG 12 HA ARG 12 2.096 -9.185 -1.609 100 1HB ARG 12 2HB ARG 12 3.199 -10.984 0.589 101 2HB ARG 12 1HB ARG 12 3.349 -9.223 0.508 102 1HG ARG 12 2HG ARG 12 0.778 -9.125 0.392 103 2HG ARG 12 1HG ARG 12 0.780 -10.853 0.765 104 1HD ARG 12 2HD ARG 12 0.417 -9.624 2.784 105 2HD ARG 12 1HD ARG 12 2.035 -10.341 2.893 106 HE ARG 12 HE ARG 12 2.785 -8.017 1.969 107 1HH1 ARG 12 2HH2 ARG 12 0.224 -8.407 4.485 108 2HH1 ARG 12 1HH2 ARG 12 0.315 -6.671 4.832 109 1HH2 ARG 12 1HH1 ARG 12 2.724 -5.815 2.578 110 2HH2 ARG 12 2HH1 ARG 12 1.599 -5.345 3.845 111 H ALA 13 H ALA 13 3.992 -8.053 -1.860 112 HA ALA 13 HA ALA 13 6.557 -9.224 -2.258 113 1HB ALA 13 1HB ALA 13 5.527 -9.840 -4.463 114 2HB ALA 13 3HB ALA 13 5.148 -8.125 -4.742 115 3HB ALA 13 2HB ALA 13 6.833 -8.654 -4.629 116 H THR 14 H THR 14 8.125 -7.506 -2.593 117 HA THR 14 HA THR 14 7.177 -4.769 -1.971 118 HB THR 14 HB THR 14 9.198 -4.622 -0.490 119 HG1 THR 14 HG1 THR 14 10.195 -6.521 -1.619 120 1HG2 THR 14 3HG2 THR 14 7.205 -6.812 0.239 121 2HG2 THR 14 2HG2 THR 14 8.403 -6.175 1.357 122 3HG2 THR 14 1HG2 THR 14 7.192 -5.088 0.703 123 H LYS 15 H LYS 15 8.668 -3.087 -2.523 124 HA LYS 15 HA LYS 15 10.853 -3.800 -4.378 125 1HB LYS 15 2HB LYS 15 10.111 -2.376 -6.142 126 2HB LYS 15 1HB LYS 15 8.830 -3.556 -5.831 127 1HG LYS 15 2HG LYS 15 7.632 -1.820 -4.459 128 2HG LYS 15 1HG LYS 15 8.865 -0.638 -4.883 129 1HD LYS 15 1HD LYS 15 7.016 -2.065 -6.844 130 2HD LYS 15 2HD LYS 15 6.883 -0.387 -6.305 131 1HE LYS 15 1HE LYS 15 9.140 -1.577 -7.991 132 2HE LYS 15 2HE LYS 15 7.862 -0.493 -8.534 133 1HZ LYS 15 2HZ LYS 15 8.722 1.192 -7.097 134 2HZ LYS 15 3HZ LYS 15 9.938 0.213 -6.568 135 3HZ LYS 15 1HZ LYS 15 9.881 0.676 -8.144 136 H THR 16 H THR 16 12.176 -1.896 -4.898 137 HA THR 16 HA THR 16 12.436 -0.142 -2.535 138 HB THR 16 HB THR 16 14.413 -1.357 -3.428 139 HG1 THR 16 HG1 THR 16 15.708 0.537 -3.332 140 1HG2 THR 16 1HG2 THR 16 13.911 -1.126 -5.891 141 2HG2 THR 16 3HG2 THR 16 14.240 0.614 -5.764 142 3HG2 THR 16 2HG2 THR 16 15.528 -0.559 -5.449 143 H CYS 17 H CYS 17 12.265 2.070 -2.671 144 HA CYS 17 HA CYS 17 11.420 3.388 -5.187 145 1HB CYS 17 1HB CYS 17 9.850 3.219 -2.585 146 2HB CYS 17 2HB CYS 17 9.572 4.483 -3.795 147 H VAL 18 H VAL 18 11.606 5.680 -5.033 148 HA VAL 18 HA VAL 18 13.833 6.575 -3.382 149 HB VAL 18 HB VAL 18 12.054 8.048 -5.379 150 1HG1 VAL 18 1HG2 VAL 18 14.748 8.801 -4.159 151 2HG1 VAL 18 2HG2 VAL 18 13.958 9.653 -5.502 152 3HG1 VAL 18 3HG2 VAL 18 13.205 9.646 -3.905 153 1HG2 VAL 18 2HG1 VAL 18 14.787 6.729 -5.717 154 2HG2 VAL 18 1HG1 VAL 18 13.269 6.184 -6.462 155 3HG2 VAL 18 3HG1 VAL 18 13.972 7.733 -6.933 156 H GLU 19 H GLU 19 10.303 7.051 -3.489 157 HA GLU 19 HA GLU 19 9.987 9.280 -1.900 158 1HB GLU 19 1HB GLU 19 8.316 6.721 -1.969 159 2HB GLU 19 2HB GLU 19 7.807 8.183 -1.131 160 1HG GLU 19 1HG GLU 19 8.483 8.186 -4.067 161 2HG GLU 19 2HG GLU 19 6.853 7.925 -3.432 162 H ASN 20 H ASN 20 9.844 9.780 0.167 163 HA ASN 20 HA ASN 20 11.161 8.134 2.188 164 1HB ASN 20 2HB ASN 20 11.410 10.540 2.304 165 2HB ASN 20 1HB ASN 20 9.658 10.784 2.231 166 1HD2 ASN 20 2HD2 ASN 20 9.358 10.711 5.734 167 2HD2 ASN 20 1HD2 ASN 20 8.746 11.297 4.198 168 H THR 21 H THR 21 7.880 8.614 0.973 169 HA THR 21 HA THR 21 6.686 7.317 3.348 170 HB THR 21 HB THR 21 4.607 8.420 2.267 171 HG1 THR 21 HG1 THR 21 5.147 10.175 0.912 172 1HG2 THR 21 3HG2 THR 21 6.824 10.173 3.404 173 2HG2 THR 21 2HG2 THR 21 5.110 10.624 3.280 174 3HG2 THR 21 1HG2 THR 21 5.593 9.281 4.327 175 H CYS 22 H CYS 22 4.813 5.889 2.861 176 HA CYS 22 HA CYS 22 4.645 4.746 0.172 177 1HB CYS 22 1HB CYS 22 4.926 3.011 2.586 178 2HB CYS 22 2HB CYS 22 4.936 2.518 0.890 179 OH TYR 23 OH TYR 23 -0.546 3.616 -5.342 180 H TYR 23 H TYR 23 2.611 3.604 -0.049 181 HA TYR 23 HA TYR 23 0.682 4.154 2.178 182 1HB TYR 23 1HB TYR 23 -1.110 4.320 0.548 183 2HB TYR 23 2HB TYR 23 0.124 5.533 0.328 184 HD1 TYR 23 HD1 TYR 23 -1.265 2.325 -1.045 185 HD2 TYR 23 HD2 TYR 23 1.403 5.615 -1.766 186 HE1 TYR 23 HE1 TYR 23 -1.500 2.001 -3.494 187 HE2 TYR 23 HE2 TYR 23 1.004 5.420 -4.198 188 HH TYR 23 HH TYR 23 -0.399 4.460 -5.790 189 H LYS 24 H LYS 24 -1.024 2.840 2.369 190 HA LYS 24 HA LYS 24 -0.838 0.089 1.304 191 1HB LYS 24 1HB LYS 24 -1.937 -0.455 3.652 192 2HB LYS 24 2HB LYS 24 -0.185 -0.456 3.402 193 1HG LYS 24 2HG LYS 24 0.071 1.682 4.456 194 2HG LYS 24 1HG LYS 24 -1.686 1.896 4.540 195 1HD LYS 24 1HD LYS 24 -1.923 -0.028 6.024 196 2HD LYS 24 2HD LYS 24 -0.218 -0.439 5.861 197 1HE LYS 24 1HE LYS 24 -1.278 2.118 7.154 198 2HE LYS 24 2HE LYS 24 -0.775 0.661 8.023 199 1HZ LYS 24 3HZ LYS 24 1.428 0.937 7.138 200 2HZ LYS 24 1HZ LYS 24 0.959 2.286 6.314 201 3HZ LYS 24 2HZ LYS 24 0.955 2.283 7.958 202 H MET 25 H MET 25 -2.778 -0.745 0.654 203 HA MET 25 HA MET 25 -5.049 1.166 0.507 204 1HB MET 25 2HB MET 25 -3.673 0.919 -1.526 205 2HB MET 25 1HB MET 25 -4.044 -0.802 -1.460 206 1HG MET 25 1HG MET 25 -6.466 -0.289 -1.702 207 2HG MET 25 2HG MET 25 -6.039 1.407 -1.932 208 1HE MET 25 3HE MET 25 -3.968 1.878 -3.751 209 2HE MET 25 2HE MET 25 -3.128 0.308 -3.840 210 3HE MET 25 1HE MET 25 -3.872 1.003 -5.296 211 H PHE 26 H PHE 26 -7.030 0.407 1.096 212 HA PHE 26 HA PHE 26 -7.487 -2.523 1.413 213 1HB PHE 26 1HB PHE 26 -8.822 -1.876 3.476 214 2HB PHE 26 2HB PHE 26 -7.077 -1.730 3.634 215 HD1 PHE 26 HD2 PHE 26 -10.233 0.205 3.299 216 HD2 PHE 26 HD1 PHE 26 -5.961 0.434 3.862 217 HE1 PHE 26 HE2 PHE 26 -10.403 2.651 3.677 218 HE2 PHE 26 HE1 PHE 26 -6.142 2.879 4.152 219 HZ PHE 26 HZ PHE 26 -8.361 3.992 4.104 220 H ILE 27 H ILE 27 -9.799 -3.077 1.263 221 HA ILE 27 HA ILE 27 -11.195 -1.355 -0.670 222 HB ILE 27 HB ILE 27 -12.077 -3.877 0.771 223 1HG1 ILE 27 1HG1 ILE 27 -11.171 -3.306 -2.100 224 2HG1 ILE 27 2HG1 ILE 27 -10.231 -4.153 -0.864 225 1HG2 ILE 27 1HG2 ILE 27 -13.408 -2.244 -1.445 226 2HG2 ILE 27 3HG2 ILE 27 -13.987 -3.817 -0.867 227 3HG2 ILE 27 2HG2 ILE 27 -14.012 -2.433 0.209 228 1HD1 ILE 27 2HD1 ILE 27 -12.088 -5.879 -0.755 229 2HD1 ILE 27 3HD1 ILE 27 -12.783 -5.109 -2.204 230 3HD1 ILE 27 1HD1 ILE 27 -11.165 -5.818 -2.276 231 NH1 ARG 28 NH2 ARG 28 -18.140 3.244 0.415 232 NH2 ARG 28 NH1 ARG 28 -17.264 5.386 0.496 233 H ARG 28 H ARG 28 -12.690 0.169 -0.148 234 HA ARG 28 HA ARG 28 -12.606 1.491 2.249 235 1HB ARG 28 1HB ARG 28 -14.467 2.761 1.458 236 2HB ARG 28 2HB ARG 28 -13.476 2.241 0.087 237 1HG ARG 28 1HG ARG 28 -15.170 0.406 -0.344 238 2HG ARG 28 2HG ARG 28 -16.214 1.264 0.819 239 1HD ARG 28 1HD ARG 28 -15.010 2.384 -1.743 240 2HD ARG 28 2HD ARG 28 -16.701 1.951 -1.526 241 HE ARG 28 HE ARG 28 -15.328 4.368 -0.700 242 1HH1 ARG 28 2HH2 ARG 28 -18.044 2.280 0.134 243 2HH1 ARG 28 1HH2 ARG 28 -18.972 3.542 0.902 244 1HH2 ARG 28 2HH1 ARG 28 -16.544 6.043 0.236 245 2HH2 ARG 28 1HH1 ARG 28 -18.079 5.716 0.992 246 H THR 29 H THR 29 -15.126 -0.781 1.305 247 HA THR 29 HA THR 29 -16.591 -0.706 3.782 248 HB THR 29 HB THR 29 -17.567 -2.895 2.811 249 HG1 THR 29 HG1 THR 29 -16.390 -3.694 1.235 250 1HG2 THR 29 1HG2 THR 29 -18.604 -0.654 2.462 251 2HG2 THR 29 3HG2 THR 29 -17.627 -0.458 0.989 252 3HG2 THR 29 2HG2 THR 29 -18.827 -1.753 1.088 253 H HIS 30 H HIS 30 -13.538 -2.196 3.132 254 HA HIS 30 HA HIS 30 -13.859 -4.000 5.488 255 1HB HIS 30 1HB HIS 30 -12.433 -4.781 2.928 256 2HB HIS 30 2HB HIS 30 -12.803 -5.798 4.326 257 HD1 HIS 30 HD1 HIS 30 -15.765 -5.450 4.741 258 HD2 HIS 30 HD2 HIS 30 -14.113 -5.363 0.895 259 HE1 HIS 30 HE1 HIS 30 -17.668 -5.774 3.099 260 NH1 ARG 31 NH2 ARG 31 -12.903 2.886 4.657 261 NH2 ARG 31 NH1 ARG 31 -12.266 4.834 5.708 262 H ARG 31 H ARG 31 -12.902 -1.928 6.365 263 HA ARG 31 HA ARG 31 -10.343 -1.010 5.831 264 1HB ARG 31 1HB ARG 31 -11.814 -1.402 8.485 265 2HB ARG 31 2HB ARG 31 -10.342 -0.453 8.309 266 1HG ARG 31 1HG ARG 31 -12.993 0.167 6.901 267 2HG ARG 31 2HG ARG 31 -12.350 0.946 8.347 268 1HD ARG 31 2HD ARG 31 -10.219 1.397 6.859 269 2HD ARG 31 1HD ARG 31 -11.302 1.063 5.512 270 HE ARG 31 HE ARG 31 -11.385 3.304 7.469 271 1HH1 ARG 31 2HH2 ARG 31 -13.106 1.891 4.689 272 2HH1 ARG 31 1HH2 ARG 31 -13.142 3.414 3.824 273 1HH2 ARG 31 1HH1 ARG 31 -11.815 5.313 6.472 274 2HH2 ARG 31 2HH1 ARG 31 -12.661 5.365 4.945 275 H GLU 32 H GLU 32 -11.276 -3.767 7.857 276 HA GLU 32 HA GLU 32 -8.559 -4.448 8.615 277 1HB GLU 32 1HB GLU 32 -11.208 -5.942 8.904 278 2HB GLU 32 2HB GLU 32 -9.683 -6.351 9.695 279 1HG GLU 32 1HG GLU 32 -9.650 -4.126 10.806 280 2HG GLU 32 2HG GLU 32 -11.228 -3.748 10.100 281 OH TYR 33 OH TYR 33 -7.934 -8.534 -1.211 282 H TYR 33 H TYR 33 -8.521 -4.295 5.917 283 HA TYR 33 HA TYR 33 -7.540 -6.913 5.171 284 1HB TYR 33 1HB TYR 33 -9.864 -7.275 4.560 285 2HB TYR 33 2HB TYR 33 -9.933 -5.702 3.763 286 HD1 TYR 33 HD2 TYR 33 -7.042 -8.049 3.234 287 HD2 TYR 33 HD1 TYR 33 -10.797 -6.565 1.701 288 HE1 TYR 33 HE2 TYR 33 -6.450 -8.864 0.986 289 HE2 TYR 33 HE1 TYR 33 -10.208 -7.445 -0.541 290 HH TYR 33 HH TYR 33 -7.049 -8.905 -1.339 291 H ILE 34 H ILE 34 -5.579 -5.698 5.134 292 HA ILE 34 HA ILE 34 -5.384 -3.358 3.372 293 HB ILE 34 HB ILE 34 -3.096 -4.934 4.592 294 1HG1 ILE 34 1HG1 ILE 34 -4.427 -4.328 6.479 295 2HG1 ILE 34 2HG1 ILE 34 -3.045 -3.244 6.377 296 1HG2 ILE 34 1HG2 ILE 34 -2.617 -3.336 2.706 297 2HG2 ILE 34 2HG2 ILE 34 -3.443 -2.065 3.589 298 3HG2 ILE 34 3HG2 ILE 34 -1.939 -2.763 4.240 299 1HD1 ILE 34 1HD1 ILE 34 -4.518 -1.452 5.448 300 2HD1 ILE 34 2HD1 ILE 34 -5.908 -2.560 5.565 301 3HD1 ILE 34 3HD1 ILE 34 -5.064 -2.033 7.024 302 H SER 35 H SER 35 -5.756 -3.805 1.384 303 HA SER 35 HA SER 35 -5.669 -6.489 0.278 304 1HB SER 35 2HB SER 35 -6.604 -3.814 -0.863 305 2HB SER 35 1HB SER 35 -7.001 -5.426 -1.469 306 HG SER 35 HG SER 35 -7.607 -4.820 1.228 307 H GLU 36 H GLU 36 -4.338 -3.277 -0.617 308 HA GLU 36 HA GLU 36 -2.288 -4.610 -2.326 309 1HB GLU 36 1HB GLU 36 -4.548 -3.448 -3.420 310 2HB GLU 36 2HB GLU 36 -3.488 -2.048 -3.312 311 1HG GLU 36 2HG GLU 36 -1.782 -3.229 -4.654 312 2HG GLU 36 1HG GLU 36 -2.814 -4.671 -4.705 313 NH1 ARG 37 NH2 ARG 37 -1.207 -5.495 2.876 314 NH2 ARG 37 NH1 ARG 37 -1.686 -6.249 0.765 315 H ARG 37 H ARG 37 -0.474 -2.848 -2.803 316 HA ARG 37 HA ARG 37 -0.418 -0.680 -0.794 317 1HB ARG 37 1HB ARG 37 1.316 -3.169 -0.835 318 2HB ARG 37 2HB ARG 37 2.050 -1.629 -0.393 319 1HG ARG 37 1HG ARG 37 1.094 -1.483 1.575 320 2HG ARG 37 2HG ARG 37 -0.471 -2.017 1.040 321 1HD ARG 37 1HD ARG 37 1.757 -3.904 1.738 322 2HD ARG 37 2HD ARG 37 0.366 -3.473 2.718 323 HE ARG 37 HE ARG 37 0.055 -4.706 0.007 324 1HH1 ARG 37 1HH2 ARG 37 -0.599 -5.042 3.565 325 2HH1 ARG 37 2HH2 ARG 37 -1.991 -6.042 3.205 326 1HH2 ARG 37 1HH1 ARG 37 -1.393 -6.383 -0.200 327 2HH2 ARG 37 2HH1 ARG 37 -2.508 -6.722 1.125 328 H GLY 38 H GLY 38 1.602 0.702 -1.130 329 1HA GLY 38 1HA GLY 38 2.893 0.559 -3.702 330 2HA GLY 38 2HA GLY 38 1.597 1.767 -3.702 331 H CYS 39 H CYS 39 3.943 2.856 -4.148 332 HA CYS 39 HA CYS 39 5.304 3.599 -1.634 333 1HB CYS 39 1HB CYS 39 5.991 3.846 -4.572 334 2HB CYS 39 2HB CYS 39 6.920 4.593 -3.274 335 H GLY 40 H GLY 40 5.749 5.863 -1.184 336 1HA GLY 40 1HA GLY 40 5.330 8.077 -1.113 337 2HA GLY 40 2HA GLY 40 4.370 7.994 -2.580 338 H CYS 41 H CYS 41 2.194 8.169 -2.316 339 HA CYS 41 HA CYS 41 0.636 7.570 0.040 340 1HB CYS 41 1HB CYS 41 2.016 9.616 0.281 341 2HB CYS 41 2HB CYS 41 1.036 10.399 -0.956 342 HA PRO 42 HA PRO 42 -2.718 6.490 -2.383 343 1HB PRO 42 1HB PRO 42 -3.540 9.343 -2.853 344 2HB PRO 42 2HB PRO 42 -4.638 7.962 -2.688 345 1HG PRO 42 1HG PRO 42 -3.892 9.529 -0.533 346 2HG PRO 42 2HG PRO 42 -4.249 7.800 -0.346 347 1HD PRO 42 1HD PRO 42 -1.727 9.150 -0.173 348 2HD PRO 42 2HD PRO 42 -2.050 7.412 0.187 349 H THR 43 H THR 43 -3.506 5.952 -4.060 350 HA THR 43 HA THR 43 -3.926 6.918 -6.549 351 HB THR 43 HB THR 43 -2.115 4.771 -7.247 352 HG1 THR 43 HG1 THR 43 -0.909 7.036 -5.998 353 1HG2 THR 43 1HG2 THR 43 -3.133 6.380 -8.777 354 2HG2 THR 43 2HG2 THR 43 -2.209 7.707 -8.034 355 3HG2 THR 43 3HG2 THR 43 -1.364 6.410 -8.916 356 H ALA 44 H ALA 44 -5.585 5.544 -7.144 357 HA ALA 44 HA ALA 44 -5.872 2.792 -6.579 358 1HB ALA 44 2HB ALA 44 -7.054 4.678 -4.473 359 2HB ALA 44 1HB ALA 44 -7.559 2.999 -4.678 360 3HB ALA 44 3HB ALA 44 -5.916 3.349 -4.171 361 H MET 45 H MET 45 -8.226 2.122 -6.855 362 HA MET 45 HA MET 45 -9.929 4.073 -8.258 363 1HB MET 45 2HB MET 45 -9.438 1.101 -8.797 364 2HB MET 45 1HB MET 45 -10.550 2.175 -9.640 365 1HG MET 45 2HG MET 45 -8.758 2.230 -11.087 366 2HG MET 45 1HG MET 45 -8.392 3.621 -10.067 367 1HE MET 45 3HE MET 45 -7.549 -0.033 -11.003 368 2HE MET 45 2HE MET 45 -6.104 -0.389 -10.029 369 3HE MET 45 1HE MET 45 -7.694 -0.306 -9.247 370 CH2 TRP 46 CH2 TRP 46 -18.008 5.341 -2.861 371 H TRP 46 H TRP 46 -12.134 3.843 -7.707 372 HA TRP 46 HA TRP 46 -12.779 2.845 -5.121 373 1HB TRP 46 2HB TRP 46 -13.969 4.593 -6.088 374 2HB TRP 46 1HB TRP 46 -14.477 3.639 -7.428 375 HD1 TRP 46 HD1 TRP 46 -16.130 1.339 -6.460 376 HE1 TRP 46 HE1 TRP 46 -18.139 1.565 -4.846 377 HE3 TRP 46 HE3 TRP 46 -15.153 5.939 -4.675 378 HZ2 TRP 46 HZ2 TRP 46 -19.168 3.520 -3.000 379 HZ3 TRP 46 HZ3 TRP 46 -16.666 7.029 -2.965 380 HH2 TRP 46 HH2 TRP 46 -18.672 5.808 -2.148 381 HA PRO 47 HA PRO 47 -14.369 1.650 -3.933 382 1HB PRO 47 2HB PRO 47 -14.888 -0.569 -2.516 383 2HB PRO 47 1HB PRO 47 -15.856 -0.166 -3.954 384 1HG PRO 47 2HG PRO 47 -13.459 -2.036 -3.838 385 2HG PRO 47 1HG PRO 47 -15.098 -2.408 -4.453 386 1HD PRO 47 1HD PRO 47 -13.053 -1.567 -6.094 387 2HD PRO 47 2HD PRO 47 -14.750 -1.101 -6.392 388 OH TYR 48 OH TYR 48 -6.978 -4.425 -5.064 389 H TYR 48 H TYR 48 -11.274 0.964 -4.649 390 HA TYR 48 HA TYR 48 -10.334 0.183 -1.991 391 1HB TYR 48 1HB TYR 48 -8.919 1.301 -4.427 392 2HB TYR 48 2HB TYR 48 -8.141 0.885 -2.914 393 HD1 TYR 48 HD1 TYR 48 -9.052 -1.701 -2.109 394 HD2 TYR 48 HD2 TYR 48 -8.332 -0.215 -6.098 395 HE1 TYR 48 HE1 TYR 48 -8.249 -3.930 -2.808 396 HE2 TYR 48 HE2 TYR 48 -7.321 -2.381 -6.713 397 HH TYR 48 HH TYR 48 -6.273 -4.242 -5.702 398 H GLN 49 H GLN 49 -9.227 1.486 -0.507 399 HA GLN 49 HA GLN 49 -9.119 4.393 -0.889 400 1HB GLN 49 2HB GLN 49 -10.539 2.822 1.167 401 2HB GLN 49 1HB GLN 49 -9.742 4.324 1.645 402 1HG GLN 49 1HG GLN 49 -11.008 5.545 -0.123 403 2HG GLN 49 2HG GLN 49 -11.797 4.033 -0.604 404 1HE2 GLN 49 1HE2 GLN 49 -14.264 5.773 1.472 405 2HE2 GLN 49 2HE2 GLN 49 -13.506 5.993 -0.101 406 H THR 50 H THR 50 -7.130 5.110 -0.312 407 HA THR 50 HA THR 50 -5.140 3.277 0.804 408 HB THR 50 HB THR 50 -3.836 5.517 -0.067 409 HG1 THR 50 HG1 THR 50 -5.038 6.100 -2.019 410 1HG2 THR 50 3HG2 THR 50 -3.451 3.228 -0.858 411 2HG2 THR 50 2HG2 THR 50 -4.874 3.370 -1.927 412 3HG2 THR 50 1HG2 THR 50 -3.454 4.396 -2.186 413 H GLU 51 H GLU 51 -3.653 3.860 2.373 414 HA GLU 51 HA GLU 51 -3.952 6.458 3.757 415 1HB GLU 51 2HB GLU 51 -3.875 5.512 5.964 416 2HB GLU 51 1HB GLU 51 -5.273 4.872 5.091 417 1HG GLU 51 2HG GLU 51 -3.740 2.921 4.454 418 2HG GLU 51 1HG GLU 51 -2.626 3.520 5.706 419 H CYS 52 H CYS 52 -1.904 7.297 4.436 420 HA CYS 52 HA CYS 52 0.379 5.972 3.165 421 1HB CYS 52 2HB CYS 52 0.306 8.750 4.286 422 2HB CYS 52 1HB CYS 52 1.323 8.076 3.009 423 H CYS 53 H CYS 53 2.496 6.284 4.165 424 HA CYS 53 HA CYS 53 2.784 6.748 7.013 425 1HB CYS 53 1HB CYS 53 3.598 4.532 7.623 426 2HB CYS 53 2HB CYS 53 1.928 4.435 7.058 427 H LYS 54 H LYS 54 5.257 6.073 7.565 428 HA LYS 54 HA LYS 54 7.041 6.433 5.275 429 1HB LYS 54 2HB LYS 54 8.342 7.874 6.908 430 2HB LYS 54 1HB LYS 54 6.973 8.659 6.109 431 1HG LYS 54 1HG LYS 54 5.615 8.402 8.148 432 2HG LYS 54 2HG LYS 54 6.926 7.493 8.935 433 1HD LYS 54 1HD LYS 54 8.400 9.485 8.761 434 2HD LYS 54 2HD LYS 54 7.088 10.386 7.971 435 1HE LYS 54 1HE LYS 54 5.674 10.104 10.001 436 2HE LYS 54 2HE LYS 54 6.981 9.197 10.787 437 1HZ LYS 54 1HZ LYS 54 8.344 11.150 10.630 438 2HZ LYS 54 2HZ LYS 54 7.130 11.992 9.900 439 3HZ LYS 54 3HZ LYS 54 6.955 11.475 11.454 440 H GLY 55 H GLY 55 9.009 5.389 5.599 441 1HA GLY 55 2HA GLY 55 10.593 4.308 7.065 442 2HA GLY 55 1HA GLY 55 9.294 3.625 8.028 443 H ASP 56 H ASP 56 11.419 2.239 6.677 444 HA ASP 56 HA ASP 56 10.600 1.027 4.250 445 1HB ASP 56 2HB ASP 56 12.485 0.159 6.476 446 2HB ASP 56 1HB ASP 56 12.199 -0.813 5.033 447 NH1 ARG 57 NH2 ARG 57 11.010 -7.571 3.981 448 NH2 ARG 57 NH1 ARG 57 10.967 -7.359 1.674 449 H ARG 57 H ARG 57 9.329 -0.741 3.797 450 HA ARG 57 HA ARG 57 7.318 -1.707 3.956 451 1HB ARG 57 1HB ARG 57 8.949 -3.107 6.125 452 2HB ARG 57 2HB ARG 57 7.559 -3.706 5.199 453 1HG ARG 57 1HG ARG 57 8.730 -3.513 3.095 454 2HG ARG 57 2HG ARG 57 10.183 -2.930 3.935 455 1HD ARG 57 2HD ARG 57 10.529 -5.012 5.029 456 2HD ARG 57 1HD ARG 57 8.914 -5.611 4.575 457 HE ARG 57 HE ARG 57 10.188 -5.039 2.168 458 1HH1 ARG 57 1HH2 ARG 57 10.844 -7.173 4.892 459 2HH1 ARG 57 2HH2 ARG 57 11.356 -8.515 3.907 460 1HH2 ARG 57 1HH1 ARG 57 10.642 -6.872 0.842 461 2HH2 ARG 57 2HH1 ARG 57 11.341 -8.290 1.569 462 H CYS 58 H CYS 58 7.289 0.789 5.678 463 HA CYS 58 HA CYS 58 5.797 0.195 8.020 464 1HB CYS 58 1HB CYS 58 5.134 2.495 7.942 465 2HB CYS 58 2HB CYS 58 6.829 2.375 7.475 466 H ASN 59 H ASN 59 4.949 0.345 4.592 467 HA ASN 59 HA ASN 59 2.075 0.419 5.044 468 1HB ASN 59 1HB ASN 59 1.950 0.403 2.691 469 2HB ASN 59 2HB ASN 59 3.123 1.621 3.166 470 1HD2 ASN 59 2HD2 ASN 59 4.211 -0.388 0.109 471 2HD2 ASN 59 1HD2 ASN 59 2.998 0.766 0.583 472 H LYS 60 H LYS 60 2.717 -1.603 6.508 473 HA LYS 60 HA LYS 60 2.796 -4.125 5.055 474 1HB LYS 60 2HB LYS 60 2.807 -5.185 7.098 475 2HB LYS 60 1HB LYS 60 3.723 -3.708 7.393 476 1HG LYS 60 2HG LYS 60 0.830 -4.270 8.163 477 2HG LYS 60 1HG LYS 60 2.224 -4.328 9.244 478 1HD LYS 60 2HD LYS 60 2.611 -1.905 8.953 479 2HD LYS 60 1HD LYS 60 1.229 -1.798 7.844 480 1HE LYS 60 2HE LYS 60 0.986 -2.680 10.739 481 2HE LYS 60 1HE LYS 60 0.669 -1.047 10.126 482 1HZ LYS 60 2HZ LYS 60 -0.985 -1.993 8.661 483 2HZ LYS 60 3HZ LYS 60 -0.750 -3.481 9.312 484 3HZ LYS 60 1HZ LYS 60 -1.344 -2.264 10.250 Start of MODEL 2 Raw file had 484 H/Q atoms Start of MODEL 2 1 NH1 ARG 1 NH1 ARG 1 10.519 6.822 4.307 2 NH2 ARG 1 NH2 ARG 1 12.143 6.093 5.776 3 1H ARG 1 1H ARG 1 11.965 3.741 -1.705 4 2H ARG 1 3H ARG 1 11.010 4.674 -0.745 5 3H ARG 1 2H ARG 1 12.503 5.192 -1.173 6 HA ARG 1 HA ARG 1 13.608 3.535 0.055 7 1HB ARG 1 2HB ARG 1 12.644 3.619 2.327 8 2HB ARG 1 1HB ARG 1 12.752 5.205 1.590 9 1HG ARG 1 1HG ARG 1 10.520 5.559 1.602 10 2HG ARG 1 2HG ARG 1 10.111 3.912 1.108 11 1HD ARG 1 2HD ARG 1 9.331 4.486 3.439 12 2HD ARG 1 1HD ARG 1 10.303 3.046 3.267 13 HE ARG 1 HE ARG 1 11.926 3.933 4.589 14 1HH1 ARG 1 2HH1 ARG 1 9.920 6.688 3.498 15 2HH1 ARG 1 1HH1 ARG 1 10.461 7.700 4.802 16 1HH2 ARG 1 1HH2 ARG 1 12.771 5.375 6.106 17 2HH2 ARG 1 2HH2 ARG 1 12.144 6.995 6.229 18 H ILE 2 H ILE 2 12.825 1.664 1.915 19 HA ILE 2 HA ILE 2 12.061 -0.575 0.230 20 HB ILE 2 HB ILE 2 12.824 -0.141 3.142 21 1HG1 ILE 2 1HG1 ILE 2 14.585 -0.015 1.288 22 2HG1 ILE 2 2HG1 ILE 2 14.899 -1.093 2.652 23 1HG2 ILE 2 2HG2 ILE 2 12.025 -2.767 1.800 24 2HG2 ILE 2 3HG2 ILE 2 12.975 -2.674 3.304 25 3HG2 ILE 2 1HG2 ILE 2 11.337 -2.043 3.260 26 1HD1 ILE 2 2HD1 ILE 2 13.703 -2.068 0.033 27 2HD1 ILE 2 1HD1 ILE 2 15.439 -2.080 0.428 28 3HD1 ILE 2 3HD1 ILE 2 14.309 -3.048 1.386 29 H CYS 3 H CYS 3 9.912 -1.170 -0.101 30 HA CYS 3 HA CYS 3 8.097 -1.167 2.211 31 1HB CYS 3 1HB CYS 3 7.469 0.497 -0.252 32 2HB CYS 3 2HB CYS 3 6.322 0.110 1.027 33 OH TYR 4 OH TYR 4 6.153 -7.392 5.532 34 H TYR 4 H TYR 4 5.958 -2.073 1.573 35 HA TYR 4 HA TYR 4 6.316 -4.418 -0.112 36 1HB TYR 4 2HB TYR 4 4.077 -3.371 1.620 37 2HB TYR 4 1HB TYR 4 3.889 -4.734 0.535 38 HD1 TYR 4 HD2 TYR 4 6.713 -3.766 2.924 39 HD2 TYR 4 HD1 TYR 4 3.754 -6.700 1.755 40 HE1 TYR 4 HE2 TYR 4 7.413 -5.210 4.768 41 HE2 TYR 4 HE1 TYR 4 4.464 -8.118 3.644 42 HH TYR 4 HH TYR 4 5.303 -7.478 5.999 43 H SER 5 H SER 5 5.227 -4.802 -2.077 44 HA SER 5 HA SER 5 3.474 -2.710 -3.179 45 1HB SER 5 1HB SER 5 6.092 -3.432 -4.558 46 2HB SER 5 2HB SER 5 4.855 -2.313 -5.155 47 HG SER 5 HG SER 5 5.453 -1.438 -2.767 48 H HIS 6 H HIS 6 1.907 -3.615 -4.448 49 HA HIS 6 HA HIS 6 2.424 -5.614 -6.367 50 1HB HIS 6 2HB HIS 6 1.199 -7.518 -5.511 51 2HB HIS 6 1HB HIS 6 2.497 -7.199 -4.433 52 HD1 HIS 6 HD1 HIS 6 1.353 -5.105 -2.513 53 HD2 HIS 6 HD2 HIS 6 -0.818 -8.366 -3.970 54 HE1 HIS 6 HE1 HIS 6 -0.487 -5.607 -0.824 55 H LYS 7 H LYS 7 0.156 -6.553 -7.062 56 HA LYS 7 HA LYS 7 -2.069 -4.736 -6.632 57 1HB LYS 7 1HB LYS 7 -2.364 -4.281 -9.048 58 2HB LYS 7 2HB LYS 7 -0.974 -3.455 -8.357 59 1HG LYS 7 2HG LYS 7 0.587 -4.725 -9.469 60 2HG LYS 7 1HG LYS 7 -0.442 -6.145 -9.637 61 1HD LYS 7 2HD LYS 7 -0.975 -3.555 -11.144 62 2HD LYS 7 1HD LYS 7 0.030 -4.873 -11.771 63 1HE LYS 7 2HE LYS 7 -1.879 -6.463 -11.548 64 2HE LYS 7 1HE LYS 7 -2.921 -5.142 -11.001 65 1HZ LYS 7 2HZ LYS 7 -1.578 -5.289 -13.600 66 2HZ LYS 7 1HZ LYS 7 -3.178 -5.551 -13.310 67 3HZ LYS 7 3HZ LYS 7 -2.536 -4.051 -13.085 68 H ALA 8 H ALA 8 -4.036 -5.644 -7.427 69 HA ALA 8 HA ALA 8 -5.512 -7.347 -7.737 70 1HB ALA 8 1HB ALA 8 -4.581 -7.140 -10.031 71 2HB ALA 8 2HB ALA 8 -3.409 -8.417 -9.674 72 3HB ALA 8 3HB ALA 8 -5.148 -8.774 -9.682 73 H SER 9 H SER 9 -5.218 -10.128 -8.183 74 HA SER 9 HA SER 9 -4.718 -10.984 -5.465 75 1HB SER 9 2HB SER 9 -5.516 -13.187 -6.735 76 2HB SER 9 1HB SER 9 -6.634 -11.856 -6.414 77 HG SER 9 HG SER 9 -6.639 -12.609 -8.636 78 H LEU 10 H LEU 10 -2.322 -10.147 -6.136 79 HA LEU 10 HA LEU 10 -0.684 -12.535 -6.927 80 1HB LEU 10 1HB LEU 10 -0.242 -9.537 -7.042 81 2HB LEU 10 2HB LEU 10 1.133 -10.614 -6.981 82 HG LEU 10 HG LEU 10 0.505 -9.824 -9.252 83 1HD1 LEU 10 1HD2 LEU 10 1.923 -11.806 -8.919 84 2HD1 LEU 10 2HD2 LEU 10 0.484 -12.850 -8.897 85 3HD1 LEU 10 3HD2 LEU 10 0.914 -11.957 -10.366 86 1HD2 LEU 10 2HD1 LEU 10 -1.986 -10.048 -8.992 87 2HD2 LEU 10 3HD1 LEU 10 -1.328 -10.758 -10.476 88 3HD2 LEU 10 1HD1 LEU 10 -1.795 -11.810 -9.131 89 HA PRO 11 HA PRO 11 0.604 -12.642 -2.658 90 1HB PRO 11 1HB PRO 11 3.253 -13.379 -2.787 91 2HB PRO 11 2HB PRO 11 1.907 -14.506 -3.129 92 1HG PRO 11 2HG PRO 11 3.542 -12.921 -5.128 93 2HG PRO 11 1HG PRO 11 3.152 -14.666 -5.176 94 1HD PRO 11 1HD PRO 11 1.720 -12.852 -6.593 95 2HD PRO 11 2HD PRO 11 0.889 -14.215 -5.791 96 NH1 ARG 12 NH1 ARG 12 1.412 -7.622 4.673 97 NH2 ARG 12 NH2 ARG 12 2.818 -9.250 5.473 98 H ARG 12 H ARG 12 1.352 -11.018 -1.232 99 HA ARG 12 HA ARG 12 2.077 -8.534 -2.437 100 1HB ARG 12 1HB ARG 12 2.233 -7.652 -0.234 101 2HB ARG 12 2HB ARG 12 0.759 -8.613 -0.435 102 1HG ARG 12 1HG ARG 12 1.973 -10.528 0.783 103 2HG ARG 12 2HG ARG 12 3.240 -9.346 1.162 104 1HD ARG 12 2HD ARG 12 1.446 -7.863 2.122 105 2HD ARG 12 1HD ARG 12 0.308 -9.218 1.984 106 HE ARG 12 HE ARG 12 2.259 -10.434 3.333 107 1HH1 ARG 12 1HH1 ARG 12 0.769 -7.264 3.986 108 2HH1 ARG 12 2HH1 ARG 12 1.695 -7.005 5.442 109 1HH2 ARG 12 2HH2 ARG 12 3.289 -10.137 5.396 110 2HH2 ARG 12 1HH2 ARG 12 3.116 -8.569 6.179 111 H ALA 13 H ALA 13 3.932 -8.057 -3.325 112 HA ALA 13 HA ALA 13 6.433 -9.414 -2.466 113 1HB ALA 13 2HB ALA 13 5.875 -9.328 -4.873 114 2HB ALA 13 3HB ALA 13 5.876 -7.555 -4.819 115 3HB ALA 13 1HB ALA 13 7.374 -8.453 -4.513 116 H THR 14 H THR 14 8.426 -7.869 -2.477 117 HA THR 14 HA THR 14 7.830 -5.260 -1.210 118 HB THR 14 HB THR 14 9.463 -5.759 0.519 119 HG1 THR 14 HG1 THR 14 10.476 -7.467 -0.961 120 1HG2 THR 14 2HG2 THR 14 7.059 -6.440 0.908 121 2HG2 THR 14 3HG2 THR 14 7.502 -8.100 0.478 122 3HG2 THR 14 1HG2 THR 14 8.241 -7.327 1.891 123 H LYS 15 H LYS 15 9.339 -3.632 -1.716 124 HA LYS 15 HA LYS 15 11.819 -4.467 -3.050 125 1HB LYS 15 1HB LYS 15 11.332 -3.298 -5.133 126 2HB LYS 15 2HB LYS 15 10.180 -4.615 -4.892 127 1HG LYS 15 2HG LYS 15 8.495 -2.984 -4.030 128 2HG LYS 15 1HG LYS 15 9.623 -1.667 -4.299 129 1HD LYS 15 2HD LYS 15 8.409 -3.500 -6.414 130 2HD LYS 15 1HD LYS 15 7.987 -1.811 -6.110 131 1HE LYS 15 1HE LYS 15 10.623 -2.872 -7.235 132 2HE LYS 15 2HE LYS 15 9.394 -1.932 -8.080 133 1HZ LYS 15 2HZ LYS 15 9.853 -0.101 -6.626 134 2HZ LYS 15 3HZ LYS 15 11.006 -0.965 -5.824 135 3HZ LYS 15 1HZ LYS 15 11.223 -0.576 -7.408 136 H THR 16 H THR 16 13.164 -2.735 -3.663 137 HA THR 16 HA THR 16 13.170 -0.494 -1.799 138 HB THR 16 HB THR 16 15.157 -1.180 -4.007 139 HG1 THR 16 HG1 THR 16 16.175 -2.434 -2.405 140 1HG2 THR 16 1HG2 THR 16 15.426 1.024 -2.852 141 2HG2 THR 16 2HG2 THR 16 15.455 0.186 -1.283 142 3HG2 THR 16 3HG2 THR 16 16.751 -0.087 -2.465 143 H CYS 17 H CYS 17 11.411 0.805 -2.537 144 HA CYS 17 HA CYS 17 11.297 1.665 -5.378 145 1HB CYS 17 1HB CYS 17 9.789 2.505 -2.868 146 2HB CYS 17 2HB CYS 17 9.491 3.161 -4.484 147 H VAL 18 H VAL 18 11.339 4.166 -5.724 148 HA VAL 18 HA VAL 18 13.752 5.234 -4.403 149 HB VAL 18 HB VAL 18 11.864 6.465 -6.466 150 1HG1 VAL 18 1HG2 VAL 18 14.608 7.349 -5.466 151 2HG1 VAL 18 2HG2 VAL 18 13.724 8.063 -6.829 152 3HG1 VAL 18 3HG2 VAL 18 13.073 8.202 -5.192 153 1HG2 VAL 18 3HG1 VAL 18 14.587 5.124 -6.764 154 2HG2 VAL 18 1HG1 VAL 18 13.040 4.484 -7.357 155 3HG2 VAL 18 2HG1 VAL 18 13.703 5.968 -8.050 156 H GLU 19 H GLU 19 10.398 6.216 -4.853 157 HA GLU 19 HA GLU 19 9.930 8.388 -3.488 158 1HB GLU 19 1HB GLU 19 8.140 5.942 -3.159 159 2HB GLU 19 2HB GLU 19 7.677 7.639 -3.052 160 1HG GLU 19 2HG GLU 19 7.040 7.282 -5.206 161 2HG GLU 19 1HG GLU 19 8.701 7.759 -5.506 162 H ASN 20 H ASN 20 9.863 9.250 -1.564 163 HA ASN 20 HA ASN 20 10.943 7.934 0.756 164 1HB ASN 20 1HB ASN 20 10.557 10.026 1.855 165 2HB ASN 20 2HB ASN 20 11.169 10.390 0.238 166 1HD2 ASN 20 2HD2 ASN 20 8.105 12.506 1.203 167 2HD2 ASN 20 1HD2 ASN 20 9.535 12.083 2.124 168 H THR 21 H THR 21 7.709 8.325 -0.586 169 HA THR 21 HA THR 21 6.444 7.603 2.003 170 HB THR 21 HB THR 21 4.400 8.447 0.548 171 HG1 THR 21 HG1 THR 21 6.550 9.956 -0.566 172 1HG2 THR 21 3HG2 THR 21 6.476 10.305 1.783 173 2HG2 THR 21 1HG2 THR 21 4.826 10.782 1.324 174 3HG2 THR 21 2HG2 THR 21 5.073 9.562 2.583 175 H CYS 22 H CYS 22 4.741 6.035 1.967 176 HA CYS 22 HA CYS 22 4.375 4.415 -0.448 177 1HB CYS 22 1HB CYS 22 5.247 3.223 2.216 178 2HB CYS 22 2HB CYS 22 4.837 2.306 0.785 179 OH TYR 23 OH TYR 23 -0.315 1.493 -4.992 180 H TYR 23 H TYR 23 2.693 2.615 0.168 181 HA TYR 23 HA TYR 23 0.777 3.584 2.194 182 1HB TYR 23 1HB TYR 23 -1.038 3.771 0.610 183 2HB TYR 23 2HB TYR 23 0.273 4.820 0.120 184 HD1 TYR 23 HD1 TYR 23 -1.562 1.672 -0.630 185 HD2 TYR 23 HD2 TYR 23 1.602 4.277 -1.953 186 HE1 TYR 23 HE1 TYR 23 -1.688 0.672 -2.878 187 HE2 TYR 23 HE2 TYR 23 1.365 3.362 -4.254 188 HH TYR 23 HH TYR 23 -0.947 0.775 -5.067 189 H LYS 24 H LYS 24 -1.044 2.339 2.358 190 HA LYS 24 HA LYS 24 -0.984 -0.373 1.247 191 1HB LYS 24 1HB LYS 24 -1.705 -1.433 3.321 192 2HB LYS 24 2HB LYS 24 -0.093 -0.705 3.482 193 1HG LYS 24 2HG LYS 24 -1.030 1.184 4.720 194 2HG LYS 24 1HG LYS 24 -2.673 0.554 4.452 195 1HD LYS 24 2HD LYS 24 -1.954 0.047 6.714 196 2HD LYS 24 1HD LYS 24 -2.225 -1.431 5.782 197 1HE LYS 24 1HE LYS 24 0.194 -1.723 5.460 198 2HE LYS 24 2HE LYS 24 0.511 -0.155 6.244 199 1HZ LYS 24 2HZ LYS 24 -0.688 -2.517 7.515 200 2HZ LYS 24 3HZ LYS 24 0.861 -1.994 7.708 201 3HZ LYS 24 1HZ LYS 24 -0.390 -1.073 8.255 202 H MET 25 H MET 25 -2.797 -0.920 0.423 203 HA MET 25 HA MET 25 -4.987 1.103 0.371 204 1HB MET 25 1HB MET 25 -3.802 0.615 -1.721 205 2HB MET 25 2HB MET 25 -4.349 -1.055 -1.531 206 1HG MET 25 2HG MET 25 -6.728 -0.228 -1.506 207 2HG MET 25 1HG MET 25 -6.124 1.390 -1.863 208 1HE MET 25 1HE MET 25 -4.757 1.913 -4.092 209 2HE MET 25 2HE MET 25 -3.762 0.431 -4.122 210 3HE MET 25 3HE MET 25 -4.761 0.856 -5.525 211 H PHE 26 H PHE 26 -6.789 0.589 1.451 212 HA PHE 26 HA PHE 26 -7.510 -2.264 1.904 213 1HB PHE 26 1HB PHE 26 -8.389 -1.617 4.089 214 2HB PHE 26 2HB PHE 26 -6.674 -1.230 3.978 215 HD1 PHE 26 HD2 PHE 26 -5.974 1.212 3.540 216 HD2 PHE 26 HD1 PHE 26 -9.953 0.033 4.676 217 HE1 PHE 26 HE2 PHE 26 -6.478 3.535 4.219 218 HE2 PHE 26 HE1 PHE 26 -10.330 2.276 5.671 219 HZ PHE 26 HZ PHE 26 -8.612 4.059 5.387 220 H ILE 27 H ILE 27 -9.910 -2.502 2.212 221 HA ILE 27 HA ILE 27 -11.166 -1.073 -0.017 222 HB ILE 27 HB ILE 27 -12.297 -3.085 1.959 223 1HG1 ILE 27 1HG1 ILE 27 -11.244 -3.405 -0.887 224 2HG1 ILE 27 2HG1 ILE 27 -10.448 -3.976 0.584 225 1HG2 ILE 27 2HG2 ILE 27 -14.084 -1.703 0.879 226 2HG2 ILE 27 1HG2 ILE 27 -13.414 -2.096 -0.715 227 3HG2 ILE 27 3HG2 ILE 27 -14.143 -3.351 0.305 228 1HD1 ILE 27 2HD1 ILE 27 -12.470 -5.444 1.018 229 2HD1 ILE 27 1HD1 ILE 27 -13.030 -5.028 -0.621 230 3HD1 ILE 27 3HD1 ILE 27 -11.493 -5.866 -0.405 231 NH1 ARG 28 NH1 ARG 28 -18.064 3.909 0.439 232 NH2 ARG 28 NH2 ARG 28 -18.215 2.800 -1.588 233 H ARG 28 H ARG 28 -12.870 0.387 0.080 234 HA ARG 28 HA ARG 28 -12.768 2.255 2.221 235 1HB ARG 28 2HB ARG 28 -13.313 2.782 -0.146 236 2HB ARG 28 1HB ARG 28 -14.822 1.891 -0.006 237 1HG ARG 28 1HG ARG 28 -15.625 3.500 1.710 238 2HG ARG 28 2HG ARG 28 -14.089 4.372 1.620 239 1HD ARG 28 2HD ARG 28 -15.829 5.493 0.248 240 2HD ARG 28 1HD ARG 28 -14.476 4.927 -0.724 241 HE ARG 28 HE ARG 28 -15.835 3.485 -1.854 242 1HH1 ARG 28 1HH1 ARG 28 -17.513 4.435 1.101 243 2HH1 ARG 28 2HH1 ARG 28 -19.025 3.691 0.656 244 1HH2 ARG 28 2HH2 ARG 28 -17.797 2.513 -2.461 245 2HH2 ARG 28 1HH2 ARG 28 -19.175 2.553 -1.399 246 H THR 29 H THR 29 -15.439 0.219 1.143 247 HA THR 29 HA THR 29 -17.193 0.720 3.340 248 HB THR 29 HB THR 29 -18.250 -1.454 2.470 249 HG1 THR 29 HG1 THR 29 -17.292 -2.325 0.620 250 1HG2 THR 29 2HG2 THR 29 -18.894 0.779 1.572 251 2HG2 THR 29 3HG2 THR 29 -17.585 0.675 0.376 252 3HG2 THR 29 1HG2 THR 29 -18.938 -0.471 0.314 253 H HIS 30 H HIS 30 -15.264 -2.149 2.548 254 HA HIS 30 HA HIS 30 -15.467 -3.239 5.262 255 1HB HIS 30 2HB HIS 30 -13.862 -4.295 2.922 256 2HB HIS 30 1HB HIS 30 -14.477 -5.175 4.302 257 HD1 HIS 30 HD1 HIS 30 -17.457 -4.225 4.266 258 HD2 HIS 30 HD2 HIS 30 -15.301 -5.415 0.880 259 HE1 HIS 30 HE1 HIS 30 -19.149 -4.823 2.469 260 NH1 ARG 31 NH2 ARG 31 -16.872 0.428 7.836 261 NH2 ARG 31 NH1 ARG 31 -16.714 -0.373 9.998 262 H ARG 31 H ARG 31 -14.469 -1.135 5.966 263 HA ARG 31 HA ARG 31 -11.961 -0.189 5.620 264 1HB ARG 31 2HB ARG 31 -13.447 -0.625 8.230 265 2HB ARG 31 1HB ARG 31 -12.051 0.444 8.045 266 1HG ARG 31 2HG ARG 31 -13.218 1.852 6.443 267 2HG ARG 31 1HG ARG 31 -14.608 0.783 6.422 268 1HD ARG 31 2HD ARG 31 -13.631 2.481 8.740 269 2HD ARG 31 1HD ARG 31 -15.136 2.680 7.841 270 HE ARG 31 HE ARG 31 -14.646 1.000 10.105 271 1HH1 ARG 31 2HH2 ARG 31 -16.484 0.959 7.071 272 2HH1 ARG 31 1HH2 ARG 31 -17.699 -0.124 7.668 273 1HH2 ARG 31 1HH1 ARG 31 -16.232 -0.410 10.884 274 2HH2 ARG 31 2HH1 ARG 31 -17.566 -0.901 9.878 275 H GLU 32 H GLU 32 -12.805 -2.946 7.668 276 HA GLU 32 HA GLU 32 -9.986 -3.440 8.415 277 1HB GLU 32 2HB GLU 32 -11.983 -3.628 9.999 278 2HB GLU 32 1HB GLU 32 -12.437 -5.103 9.126 279 1HG GLU 32 2HG GLU 32 -10.201 -6.082 9.715 280 2HG GLU 32 1HG GLU 32 -9.786 -4.583 10.563 281 OH TYR 33 OH TYR 33 -10.226 -10.582 1.003 282 H TYR 33 H TYR 33 -9.958 -3.554 5.777 283 HA TYR 33 HA TYR 33 -9.381 -6.379 5.264 284 1HB TYR 33 1HB TYR 33 -11.884 -5.994 4.717 285 2HB TYR 33 2HB TYR 33 -11.313 -5.012 3.369 286 HD1 TYR 33 HD1 TYR 33 -9.797 -6.096 1.606 287 HD2 TYR 33 HD2 TYR 33 -11.865 -8.379 4.624 288 HE1 TYR 33 HE1 TYR 33 -9.411 -8.153 0.308 289 HE2 TYR 33 HE2 TYR 33 -11.503 -10.444 3.297 290 HH TYR 33 HH TYR 33 -9.716 -10.435 0.204 291 H ILE 34 H ILE 34 -7.363 -6.192 4.538 292 HA ILE 34 HA ILE 34 -6.403 -3.833 3.082 293 HB ILE 34 HB ILE 34 -5.018 -6.463 3.757 294 1HG1 ILE 34 2HG1 ILE 34 -5.652 -5.444 5.852 295 2HG1 ILE 34 1HG1 ILE 34 -3.926 -5.233 5.595 296 1HG2 ILE 34 1HG2 ILE 34 -3.927 -3.759 2.827 297 2HG2 ILE 34 2HG2 ILE 34 -2.953 -5.111 3.453 298 3HG2 ILE 34 3HG2 ILE 34 -3.858 -5.301 1.957 299 1HD1 ILE 34 3HD1 ILE 34 -4.362 -2.856 4.860 300 2HD1 ILE 34 1HD1 ILE 34 -6.081 -3.107 5.258 301 3HD1 ILE 34 2HD1 ILE 34 -4.853 -3.204 6.523 302 H SER 35 H SER 35 -5.730 -3.898 0.883 303 HA SER 35 HA SER 35 -6.704 -6.240 -0.730 304 1HB SER 35 2HB SER 35 -7.443 -4.631 -2.422 305 2HB SER 35 1HB SER 35 -8.268 -4.397 -0.865 306 HG SER 35 HG SER 35 -6.753 -2.698 -0.442 307 H GLU 36 H GLU 36 -4.838 -3.245 -0.995 308 HA GLU 36 HA GLU 36 -2.610 -4.775 -2.356 309 1HB GLU 36 2HB GLU 36 -4.035 -2.260 -3.319 310 2HB GLU 36 1HB GLU 36 -2.420 -2.707 -3.889 311 1HG GLU 36 2HG GLU 36 -3.217 -4.849 -4.643 312 2HG GLU 36 1HG GLU 36 -4.874 -4.488 -4.111 313 NH1 ARG 37 NH1 ARG 37 1.589 -4.904 3.661 314 NH2 ARG 37 NH2 ARG 37 -0.044 -4.581 5.221 315 H ARG 37 H ARG 37 -0.669 -3.257 -2.706 316 HA ARG 37 HA ARG 37 -0.272 -1.239 -0.634 317 1HB ARG 37 1HB ARG 37 1.428 -3.807 -0.671 318 2HB ARG 37 2HB ARG 37 2.047 -2.254 -0.191 319 1HG ARG 37 2HG ARG 37 1.597 -3.057 1.767 320 2HG ARG 37 1HG ARG 37 0.224 -2.039 1.481 321 1HD ARG 37 1HD ARG 37 -1.125 -4.146 1.001 322 2HD ARG 37 2HD ARG 37 0.328 -5.102 1.294 323 HE ARG 37 HE ARG 37 -1.428 -3.845 3.235 324 1HH1 ARG 37 2HH1 ARG 37 1.968 -4.855 2.731 325 2HH1 ARG 37 1HH1 ARG 37 2.212 -5.118 4.447 326 1HH2 ARG 37 1HH2 ARG 37 -0.985 -4.364 5.508 327 2HH2 ARG 37 2HH2 ARG 37 0.657 -4.908 5.895 328 H GLY 38 H GLY 38 1.628 0.052 -1.060 329 1HA GLY 38 1HA GLY 38 3.284 -0.489 -3.333 330 2HA GLY 38 2HA GLY 38 1.985 0.568 -3.857 331 H CYS 39 H CYS 39 3.970 1.866 -4.333 332 HA CYS 39 HA CYS 39 5.135 3.299 -2.026 333 1HB CYS 39 1HB CYS 39 6.157 2.622 -4.785 334 2HB CYS 39 2HB CYS 39 6.958 3.704 -3.646 335 H GLY 40 H GLY 40 5.594 5.567 -2.379 336 1HA GLY 40 1HA GLY 40 5.112 7.703 -2.914 337 2HA GLY 40 2HA GLY 40 4.877 7.165 -4.550 338 H CYS 41 H CYS 41 3.443 7.202 -1.710 339 HA CYS 41 HA CYS 41 0.869 6.698 -1.414 340 1HB CYS 41 1HB CYS 41 2.001 8.064 0.211 341 2HB CYS 41 2HB CYS 41 1.994 9.458 -0.880 342 HA PRO 42 HA PRO 42 -1.215 8.962 -4.817 343 1HB PRO 42 2HB PRO 42 -2.224 6.945 -6.273 344 2HB PRO 42 1HB PRO 42 -0.474 7.275 -6.256 345 1HG PRO 42 1HG PRO 42 -2.024 5.180 -4.687 346 2HG PRO 42 2HG PRO 42 -0.481 4.969 -5.561 347 1HD PRO 42 2HD PRO 42 -0.790 5.536 -2.797 348 2HD PRO 42 1HD PRO 42 0.715 5.765 -3.751 349 H THR 43 H THR 43 -3.498 9.020 -5.500 350 HA THR 43 HA THR 43 -5.329 8.694 -3.305 351 HB THR 43 HB THR 43 -6.596 9.140 -5.891 352 HG1 THR 43 HG1 THR 43 -5.410 11.035 -6.434 353 1HG2 THR 43 3HG2 THR 43 -7.418 9.962 -3.705 354 2HG2 THR 43 1HG2 THR 43 -5.996 11.022 -3.565 355 3HG2 THR 43 2HG2 THR 43 -7.194 11.298 -4.849 356 H ALA 44 H ALA 44 -6.853 7.075 -3.046 357 HA ALA 44 HA ALA 44 -6.410 4.587 -4.522 358 1HB ALA 44 3HB ALA 44 -8.406 5.336 -2.348 359 2HB ALA 44 1HB ALA 44 -8.123 3.702 -2.987 360 3HB ALA 44 2HB ALA 44 -6.832 4.536 -2.123 361 H MET 45 H MET 45 -7.877 3.569 -5.911 362 HA MET 45 HA MET 45 -9.830 5.261 -7.289 363 1HB MET 45 1HB MET 45 -8.984 2.332 -7.539 364 2HB MET 45 2HB MET 45 -10.162 3.125 -8.587 365 1HG MET 45 1HG MET 45 -7.249 3.949 -8.278 366 2HG MET 45 2HG MET 45 -7.914 3.028 -9.621 367 1HE MET 45 2HE MET 45 -9.322 3.955 -11.533 368 2HE MET 45 1HE MET 45 -10.609 4.507 -10.429 369 3HE MET 45 3HE MET 45 -9.932 5.622 -11.634 370 CH2 TRP 46 CH2 TRP 46 -19.786 3.498 -5.736 371 H TRP 46 H TRP 46 -12.150 4.514 -7.424 372 HA TRP 46 HA TRP 46 -13.083 3.897 -4.761 373 1HB TRP 46 1HB TRP 46 -14.217 5.351 -6.670 374 2HB TRP 46 2HB TRP 46 -14.751 3.816 -7.282 375 HD1 TRP 46 HD1 TRP 46 -14.807 5.396 -3.706 376 HE1 TRP 46 HE1 TRP 46 -17.218 5.209 -2.786 377 HE3 TRP 46 HE3 TRP 46 -17.014 3.350 -7.758 378 HZ2 TRP 46 HZ2 TRP 46 -19.782 4.306 -3.730 379 HZ3 TRP 46 HZ3 TRP 46 -19.474 2.799 -7.756 380 HH2 TRP 46 HH2 TRP 46 -20.845 3.282 -5.739 381 HA PRO 47 HA PRO 47 -14.384 2.735 -3.504 382 1HB PRO 47 1HB PRO 47 -15.654 0.760 -2.296 383 2HB PRO 47 2HB PRO 47 -16.243 1.325 -3.884 384 1HG PRO 47 2HG PRO 47 -14.470 -1.082 -3.341 385 2HG PRO 47 1HG PRO 47 -15.960 -1.017 -4.321 386 1HD PRO 47 1HD PRO 47 -13.356 -0.725 -5.339 387 2HD PRO 47 2HD PRO 47 -14.823 -0.088 -6.127 388 OH TYR 48 OH TYR 48 -10.644 -3.873 -5.245 389 H TYR 48 H TYR 48 -11.650 2.524 -3.583 390 HA TYR 48 HA TYR 48 -10.907 0.906 -1.177 391 1HB TYR 48 1HB TYR 48 -9.225 1.830 -3.539 392 2HB TYR 48 2HB TYR 48 -8.634 1.033 -2.093 393 HD1 TYR 48 HD2 TYR 48 -9.222 -1.394 -1.699 394 HD2 TYR 48 HD1 TYR 48 -10.390 0.657 -5.308 395 HE1 TYR 48 HE2 TYR 48 -9.736 -3.565 -2.778 396 HE2 TYR 48 HE1 TYR 48 -10.890 -1.514 -6.381 397 HH TYR 48 HH TYR 48 -10.487 -4.628 -4.676 398 H GLN 49 H GLN 49 -9.162 1.851 0.101 399 HA GLN 49 HA GLN 49 -8.901 4.796 0.038 400 1HB GLN 49 2HB GLN 49 -9.698 2.964 2.221 401 2HB GLN 49 1HB GLN 49 -8.892 4.494 2.556 402 1HG GLN 49 2HG GLN 49 -10.674 5.690 1.250 403 2HG GLN 49 1HG GLN 49 -11.524 4.153 1.045 404 1HE2 GLN 49 1HE2 GLN 49 -12.173 4.062 4.739 405 2HE2 GLN 49 2HE2 GLN 49 -11.249 3.033 3.654 406 H THR 50 H THR 50 -6.751 5.286 -0.033 407 HA THR 50 HA THR 50 -4.723 3.296 0.770 408 HB THR 50 HB THR 50 -3.286 5.367 -0.118 409 HG1 THR 50 HG1 THR 50 -4.360 6.454 -1.746 410 1HG2 THR 50 3HG2 THR 50 -3.348 3.077 -1.034 411 2HG2 THR 50 1HG2 THR 50 -4.785 3.483 -1.981 412 3HG2 THR 50 2HG2 THR 50 -3.238 4.307 -2.304 413 H GLU 51 H GLU 51 -3.813 3.373 2.729 414 HA GLU 51 HA GLU 51 -3.811 5.986 4.207 415 1HB GLU 51 1HB GLU 51 -3.373 4.756 6.264 416 2HB GLU 51 2HB GLU 51 -4.981 4.498 5.594 417 1HG GLU 51 2HG GLU 51 -4.059 2.408 4.522 418 2HG GLU 51 1HG GLU 51 -2.608 2.621 5.530 419 H CYS 52 H CYS 52 -1.861 6.912 4.223 420 HA CYS 52 HA CYS 52 0.370 5.487 2.934 421 1HB CYS 52 1HB CYS 52 -0.331 8.397 3.249 422 2HB CYS 52 2HB CYS 52 1.124 7.783 2.468 423 H CYS 53 H CYS 53 2.553 6.204 3.516 424 HA CYS 53 HA CYS 53 3.053 7.153 6.249 425 1HB CYS 53 2HB CYS 53 4.101 5.167 7.010 426 2HB CYS 53 1HB CYS 53 2.658 4.536 6.205 427 H LYS 54 H LYS 54 5.565 7.080 6.573 428 HA LYS 54 HA LYS 54 7.178 7.102 4.130 429 1HB LYS 54 2HB LYS 54 8.197 9.186 5.144 430 2HB LYS 54 1HB LYS 54 6.656 9.404 4.317 431 1HG LYS 54 2HG LYS 54 5.480 9.519 6.475 432 2HG LYS 54 1HG LYS 54 6.996 9.158 7.337 433 1HD LYS 54 2HD LYS 54 7.988 11.259 6.480 434 2HD LYS 54 1HD LYS 54 6.523 11.580 5.538 435 1HE LYS 54 1HE LYS 54 6.507 12.922 7.576 436 2HE LYS 54 2HE LYS 54 5.190 11.740 7.625 437 1HZ LYS 54 3HZ LYS 54 7.793 11.462 8.967 438 2HZ LYS 54 1HZ LYS 54 6.376 11.885 9.694 439 3HZ LYS 54 2HZ LYS 54 6.550 10.382 9.044 440 H GLY 55 H GLY 55 7.285 4.890 5.514 441 1HA GLY 55 2HA GLY 55 9.773 5.140 7.105 442 2HA GLY 55 1HA GLY 55 8.403 4.346 7.866 443 H ASP 56 H ASP 56 11.003 3.345 7.159 444 HA ASP 56 HA ASP 56 10.960 1.667 4.845 445 1HB ASP 56 1HB ASP 56 13.060 1.687 5.589 446 2HB ASP 56 2HB ASP 56 12.637 1.808 7.322 447 NH1 ARG 57 NH1 ARG 57 12.321 -2.366 9.712 448 NH2 ARG 57 NH2 ARG 57 11.817 -4.071 11.188 449 H ARG 57 H ARG 57 10.238 -0.285 4.505 450 HA ARG 57 HA ARG 57 8.349 -1.690 4.517 451 1HB ARG 57 1HB ARG 57 8.891 -3.628 5.744 452 2HB ARG 57 2HB ARG 57 10.407 -2.867 5.270 453 1HG ARG 57 2HG ARG 57 10.409 -1.880 7.710 454 2HG ARG 57 1HG ARG 57 9.167 -3.104 8.006 455 1HD ARG 57 1HD ARG 57 10.828 -4.785 6.989 456 2HD ARG 57 2HD ARG 57 12.053 -3.522 7.171 457 HE ARG 57 HE ARG 57 10.865 -5.207 9.199 458 1HH1 ARG 57 1HH1 ARG 57 12.335 -1.966 8.776 459 2HH1 ARG 57 2HH1 ARG 57 12.735 -1.827 10.456 460 1HH2 ARG 57 2HH2 ARG 57 11.430 -4.985 11.370 461 2HH2 ARG 57 1HH2 ARG 57 12.234 -3.550 11.944 462 H CYS 58 H CYS 58 7.500 0.838 5.825 463 HA CYS 58 HA CYS 58 6.246 0.354 8.259 464 1HB CYS 58 1HB CYS 58 5.013 2.268 7.904 465 2HB CYS 58 2HB CYS 58 6.381 2.538 6.826 466 H ASN 59 H ASN 59 5.134 -0.472 4.986 467 HA ASN 59 HA ASN 59 2.510 -1.414 5.925 468 1HB ASN 59 2HB ASN 59 2.202 -1.860 3.468 469 2HB ASN 59 1HB ASN 59 2.407 -0.174 3.930 470 1HD2 ASN 59 1HD2 ASN 59 4.413 -0.079 1.008 471 2HD2 ASN 59 2HD2 ASN 59 2.766 0.016 1.488 472 H LYS 60 H LYS 60 3.828 -2.747 7.363 473 HA LYS 60 HA LYS 60 5.338 -4.991 6.567 474 1HB LYS 60 1HB LYS 60 3.609 -4.616 9.050 475 2HB LYS 60 2HB LYS 60 4.872 -5.845 8.843 476 1HG LYS 60 1HG LYS 60 6.544 -4.041 8.460 477 2HG LYS 60 2HG LYS 60 5.295 -2.829 8.803 478 1HD LYS 60 2HD LYS 60 4.982 -4.028 11.068 479 2HD LYS 60 1HD LYS 60 6.519 -4.836 10.711 480 1HE LYS 60 2HE LYS 60 5.981 -1.835 10.967 481 2HE LYS 60 1HE LYS 60 6.967 -2.835 12.047 482 1HZ LYS 60 3HZ LYS 60 8.491 -3.157 10.211 483 2HZ LYS 60 2HZ LYS 60 7.563 -2.207 9.232 484 3HZ LYS 60 1HZ LYS 60 8.305 -1.555 10.550 Start of MODEL 3 Raw file had 484 H/Q atoms Start of MODEL 3 1 NH1 ARG 1 NH2 ARG 1 11.605 5.451 4.188 2 NH2 ARG 1 NH1 ARG 1 13.244 6.691 3.162 3 1H ARG 1 2H ARG 1 10.503 4.303 -1.771 4 2H ARG 1 1H ARG 1 11.348 5.510 -1.063 5 3H ARG 1 3H ARG 1 12.075 4.448 -2.136 6 HA ARG 1 HA ARG 1 12.681 3.616 -0.018 7 1HB ARG 1 1HB ARG 1 10.907 4.967 1.157 8 2HB ARG 1 2HB ARG 1 9.691 3.829 0.593 9 1HG ARG 1 2HG ARG 1 10.266 3.470 2.906 10 2HG ARG 1 1HG ARG 1 10.648 2.057 1.955 11 1HD ARG 1 1HD ARG 1 12.398 2.773 3.728 12 2HD ARG 1 2HD ARG 1 13.019 2.427 2.133 13 HE ARG 1 HE ARG 1 13.816 4.542 2.022 14 1HH1 ARG 1 2HH2 ARG 1 11.135 4.578 4.350 15 2HH1 ARG 1 1HH2 ARG 1 11.293 6.298 4.654 16 1HH2 ARG 1 1HH1 ARG 1 14.039 6.783 2.547 17 2HH2 ARG 1 2HH1 ARG 1 12.913 7.493 3.692 18 H ILE 2 H ILE 2 12.424 1.239 0.569 19 HA ILE 2 HA ILE 2 11.367 -0.310 -1.687 20 HB ILE 2 HB ILE 2 13.512 -0.643 0.164 21 1HG1 ILE 2 2HG1 ILE 2 13.385 -1.225 -2.268 22 2HG1 ILE 2 1HG1 ILE 2 14.153 -2.434 -1.242 23 1HG2 ILE 2 3HG2 ILE 2 11.426 -2.846 0.547 24 2HG2 ILE 2 2HG2 ILE 2 13.138 -2.957 0.981 25 3HG2 ILE 2 1HG2 ILE 2 12.108 -1.772 1.786 26 1HD1 ILE 2 3HD1 ILE 2 11.229 -2.646 -2.077 27 2HD1 ILE 2 2HD1 ILE 2 12.574 -3.374 -2.974 28 3HD1 ILE 2 1HD1 ILE 2 12.238 -3.890 -1.319 29 H CYS 3 H CYS 3 9.331 -1.208 -1.645 30 HA CYS 3 HA CYS 3 7.908 -1.477 0.946 31 1HB CYS 3 1HB CYS 3 7.384 0.585 -1.183 32 2HB CYS 3 2HB CYS 3 6.006 -0.139 -0.369 33 OH TYR 4 OH TYR 4 7.476 -7.422 4.038 34 H TYR 4 H TYR 4 5.612 -2.266 0.441 35 HA TYR 4 HA TYR 4 5.957 -4.666 -1.185 36 1HB TYR 4 1HB TYR 4 3.872 -3.645 0.787 37 2HB TYR 4 2HB TYR 4 3.599 -5.084 -0.139 38 HD1 TYR 4 HD1 TYR 4 5.736 -6.807 -0.113 39 HD2 TYR 4 HD2 TYR 4 4.746 -3.959 2.966 40 HE1 TYR 4 HE1 TYR 4 7.206 -8.005 1.487 41 HE2 TYR 4 HE2 TYR 4 5.968 -5.321 4.614 42 HH TYR 4 HH TYR 4 7.414 -7.072 4.929 43 H SER 5 H SER 5 4.391 -5.454 -2.625 44 HA SER 5 HA SER 5 2.410 -3.588 -3.828 45 1HB SER 5 1HB SER 5 4.569 -4.978 -5.458 46 2HB SER 5 2HB SER 5 3.292 -3.893 -6.043 47 HG SER 5 HG SER 5 4.409 -2.510 -4.194 48 H HIS 6 H HIS 6 2.104 -5.890 -2.143 49 HA HIS 6 HA HIS 6 1.103 -8.003 -3.996 50 1HB HIS 6 1HB HIS 6 1.036 -9.376 -1.894 51 2HB HIS 6 2HB HIS 6 2.630 -8.896 -2.466 52 HD1 HIS 6 HD1 HIS 6 0.496 -6.557 -0.277 53 HD2 HIS 6 HD2 HIS 6 3.796 -9.099 -0.035 54 HE1 HIS 6 HE1 HIS 6 1.525 -6.267 2.041 55 H LYS 7 H LYS 7 -0.964 -8.785 -3.822 56 HA LYS 7 HA LYS 7 -2.958 -6.856 -3.157 57 1HB LYS 7 1HB LYS 7 -4.439 -8.292 -4.282 58 2HB LYS 7 2HB LYS 7 -2.924 -8.365 -5.165 59 1HG LYS 7 1HG LYS 7 -4.039 -10.510 -3.272 60 2HG LYS 7 2HG LYS 7 -4.088 -10.492 -5.020 61 1HD LYS 7 1HD LYS 7 -2.370 -11.908 -4.767 62 2HD LYS 7 2HD LYS 7 -1.449 -10.417 -4.885 63 1HE LYS 7 2HE LYS 7 -1.361 -10.433 -2.298 64 2HE LYS 7 1HE LYS 7 -2.267 -11.944 -2.342 65 1HZ LYS 7 3HZ LYS 7 -0.459 -12.921 -3.542 66 2HZ LYS 7 1HZ LYS 7 0.381 -11.503 -3.525 67 3HZ LYS 7 2HZ LYS 7 0.066 -12.291 -2.114 68 H ALA 8 H ALA 8 -1.470 -8.436 -0.838 69 HA ALA 8 HA ALA 8 -3.605 -8.409 1.024 70 1HB ALA 8 2HB ALA 8 -2.543 -11.159 0.197 71 2HB ALA 8 3HB ALA 8 -3.563 -10.830 1.611 72 3HB ALA 8 1HB ALA 8 -4.215 -10.596 -0.018 73 H SER 9 H SER 9 -2.585 -9.049 3.242 74 HA SER 9 HA SER 9 0.135 -8.006 3.309 75 1HB SER 9 2HB SER 9 -0.260 -8.294 5.772 76 2HB SER 9 1HB SER 9 -1.498 -7.318 4.974 77 HG SER 9 HG SER 9 -1.666 -10.090 5.548 78 H LEU 10 H LEU 10 0.938 -9.822 1.919 79 HA LEU 10 HA LEU 10 1.985 -12.034 3.605 80 1HB LEU 10 2HB LEU 10 -0.013 -12.951 2.572 81 2HB LEU 10 1HB LEU 10 0.491 -12.368 0.983 82 HG LEU 10 HG LEU 10 2.439 -13.913 1.020 83 1HD1 LEU 10 3HD2 LEU 10 1.280 -14.825 3.691 84 2HD1 LEU 10 1HD2 LEU 10 2.506 -15.711 2.761 85 3HD1 LEU 10 2HD2 LEU 10 2.889 -14.117 3.417 86 1HD2 LEU 10 1HD1 LEU 10 0.294 -14.616 0.035 87 2HD2 LEU 10 3HD1 LEU 10 1.167 -15.984 0.747 88 3HD2 LEU 10 2HD1 LEU 10 -0.218 -15.273 1.606 89 HA PRO 11 HA PRO 11 5.296 -9.639 1.515 90 1HB PRO 11 2HB PRO 11 6.768 -11.839 2.974 91 2HB PRO 11 1HB PRO 11 7.268 -10.151 2.623 92 1HG PRO 11 2HG PRO 11 6.130 -10.746 5.040 93 2HG PRO 11 1HG PRO 11 5.566 -9.302 4.147 94 1HD PRO 11 2HD PRO 11 4.264 -12.018 4.294 95 2HD PRO 11 1HD PRO 11 3.513 -10.394 4.367 96 NH1 ARG 12 NH1 ARG 12 4.984 -15.356 0.892 97 NH2 ARG 12 NH2 ARG 12 4.131 -17.403 0.231 98 H ARG 12 H ARG 12 5.592 -9.880 -0.536 99 HA ARG 12 HA ARG 12 6.758 -12.153 -1.871 100 1HB ARG 12 1HB ARG 12 3.806 -11.507 -2.352 101 2HB ARG 12 2HB ARG 12 4.813 -12.402 -3.504 102 1HG ARG 12 1HG ARG 12 3.999 -13.299 -0.722 103 2HG ARG 12 2HG ARG 12 3.354 -13.845 -2.256 104 1HD ARG 12 2HD ARG 12 5.598 -14.719 -2.908 105 2HD ARG 12 1HD ARG 12 6.215 -14.322 -1.304 106 HE ARG 12 HE ARG 12 4.524 -16.544 -2.077 107 1HH1 ARG 12 2HH1 ARG 12 5.359 -14.442 0.654 108 2HH1 ARG 12 1HH1 ARG 12 4.883 -15.601 1.864 109 1HH2 ARG 12 1HH2 ARG 12 3.871 -18.044 -0.504 110 2HH2 ARG 12 2HH2 ARG 12 4.010 -17.677 1.194 111 H ALA 13 H ALA 13 4.445 -10.090 -3.537 112 HA ALA 13 HA ALA 13 6.461 -8.964 -5.216 113 1HB ALA 13 3HB ALA 13 3.538 -8.233 -4.777 114 2HB ALA 13 1HB ALA 13 4.555 -7.621 -6.099 115 3HB ALA 13 2HB ALA 13 4.178 -9.352 -5.997 116 H THR 14 H THR 14 7.569 -7.066 -5.071 117 HA THR 14 HA THR 14 6.873 -5.028 -3.074 118 HB THR 14 HB THR 14 9.411 -5.002 -2.556 119 HG1 THR 14 HG1 THR 14 9.173 -7.706 -3.406 120 1HG2 THR 14 3HG2 THR 14 7.752 -7.349 -1.541 121 2HG2 THR 14 2HG2 THR 14 9.298 -6.811 -0.858 122 3HG2 THR 14 1HG2 THR 14 7.908 -5.726 -0.819 123 H LYS 15 H LYS 15 8.273 -3.084 -3.427 124 HA LYS 15 HA LYS 15 9.291 -2.761 -6.186 125 1HB LYS 15 2HB LYS 15 7.958 -0.777 -6.595 126 2HB LYS 15 1HB LYS 15 6.896 -2.163 -6.329 127 1HG LYS 15 1HG LYS 15 6.503 -1.390 -3.983 128 2HG LYS 15 2HG LYS 15 7.553 0.008 -4.265 129 1HD LYS 15 1HD LYS 15 6.110 0.753 -6.128 130 2HD LYS 15 2HD LYS 15 4.994 -0.582 -5.817 131 1HE LYS 15 2HE LYS 15 5.738 1.577 -3.774 132 2HE LYS 15 1HE LYS 15 4.312 1.625 -4.831 133 1HZ LYS 15 3HZ LYS 15 4.832 -0.508 -2.879 134 2HZ LYS 15 1HZ LYS 15 3.846 0.787 -2.626 135 3HZ LYS 15 2HZ LYS 15 3.490 -0.313 -3.801 136 H THR 16 H THR 16 10.759 -1.059 -6.387 137 HA THR 16 HA THR 16 11.786 0.128 -3.837 138 HB THR 16 HB THR 16 13.187 -0.299 -6.507 139 HG1 THR 16 HG1 THR 16 12.700 -2.221 -5.295 140 1HG2 THR 16 1HG2 THR 16 14.226 0.569 -3.763 141 2HG2 THR 16 3HG2 THR 16 15.225 0.205 -5.183 142 3HG2 THR 16 2HG2 THR 16 14.130 1.597 -5.211 143 H CYS 17 H CYS 17 10.267 1.876 -3.774 144 HA CYS 17 HA CYS 17 9.995 3.562 -6.223 145 1HB CYS 17 1HB CYS 17 8.075 2.956 -4.515 146 2HB CYS 17 2HB CYS 17 8.830 4.311 -3.646 147 H VAL 18 H VAL 18 10.062 6.032 -5.578 148 HA VAL 18 HA VAL 18 12.728 6.605 -4.474 149 HB VAL 18 HB VAL 18 10.588 8.385 -5.733 150 1HG1 VAL 18 3HG2 VAL 18 13.479 8.985 -4.960 151 2HG1 VAL 18 2HG2 VAL 18 12.421 10.051 -5.907 152 3HG1 VAL 18 1HG2 VAL 18 12.029 9.699 -4.221 153 1HG2 VAL 18 1HG1 VAL 18 13.188 7.246 -6.850 154 2HG2 VAL 18 2HG1 VAL 18 11.548 6.781 -7.347 155 3HG2 VAL 18 3HG1 VAL 18 12.134 8.417 -7.668 156 H GLU 19 H GLU 19 9.365 7.778 -3.951 157 HA GLU 19 HA GLU 19 9.632 9.414 -1.853 158 1HB GLU 19 1HB GLU 19 7.395 7.377 -2.079 159 2HB GLU 19 2HB GLU 19 7.341 8.907 -1.210 160 1HG GLU 19 2HG GLU 19 7.402 8.437 -4.155 161 2HG GLU 19 1HG GLU 19 6.305 9.414 -3.214 162 H ASN 20 H ASN 20 9.558 9.475 0.273 163 HA ASN 20 HA ASN 20 10.753 7.323 1.807 164 1HB ASN 20 1HB ASN 20 11.237 9.648 2.356 165 2HB ASN 20 2HB ASN 20 9.517 10.008 2.561 166 1HD2 ASN 20 1HD2 ASN 20 9.474 8.972 5.938 167 2HD2 ASN 20 2HD2 ASN 20 8.627 9.765 4.619 168 H THR 21 H THR 21 7.445 8.251 0.920 169 HA THR 21 HA THR 21 6.333 6.634 3.139 170 HB THR 21 HB THR 21 4.231 7.936 2.265 171 HG1 THR 21 HG1 THR 21 4.938 10.020 1.432 172 1HG2 THR 21 3HG2 THR 21 6.473 9.317 3.794 173 2HG2 THR 21 1HG2 THR 21 4.787 9.877 3.726 174 3HG2 THR 21 2HG2 THR 21 5.162 8.315 4.466 175 H CYS 22 H CYS 22 4.485 5.318 2.545 176 HA CYS 22 HA CYS 22 4.067 4.633 -0.272 177 1HB CYS 22 1HB CYS 22 4.636 2.529 1.832 178 2HB CYS 22 2HB CYS 22 4.293 2.258 0.133 179 OH TYR 23 OH TYR 23 -1.261 4.734 -5.096 180 H TYR 23 H TYR 23 2.056 3.042 -0.173 181 HA TYR 23 HA TYR 23 0.408 3.567 2.232 182 1HB TYR 23 1HB TYR 23 -1.543 4.205 0.888 183 2HB TYR 23 2HB TYR 23 -0.245 5.378 0.881 184 HD1 TYR 23 HD2 TYR 23 -1.724 2.556 -1.150 185 HD2 TYR 23 HD1 TYR 23 0.523 6.232 -1.212 186 HE1 TYR 23 HE2 TYR 23 -2.183 2.806 -3.566 187 HE2 TYR 23 HE1 TYR 23 0.015 6.507 -3.605 188 HH TYR 23 HH TYR 23 -0.932 5.571 -5.455 189 H LYS 24 H LYS 24 -1.412 2.307 2.301 190 HA LYS 24 HA LYS 24 -1.343 -0.204 0.763 191 1HB LYS 24 1HB LYS 24 -2.703 -0.572 3.241 192 2HB LYS 24 2HB LYS 24 -1.201 -1.295 2.630 193 1HG LYS 24 2HG LYS 24 0.143 0.422 3.687 194 2HG LYS 24 1HG LYS 24 -1.309 1.225 4.305 195 1HD LYS 24 2HD LYS 24 -1.952 -0.909 5.477 196 2HD LYS 24 1HD LYS 24 -0.484 -1.663 4.844 197 1HE LYS 24 2HE LYS 24 0.851 0.112 6.115 198 2HE LYS 24 1HE LYS 24 -0.671 0.593 6.881 199 1HZ LYS 24 3HZ LYS 24 0.392 -2.151 6.880 200 2HZ LYS 24 1HZ LYS 24 0.654 -1.065 8.105 201 3HZ LYS 24 2HZ LYS 24 -0.877 -1.580 7.755 202 H MET 25 H MET 25 -3.097 -0.578 -0.348 203 HA MET 25 HA MET 25 -5.319 1.383 -0.193 204 1HB MET 25 2HB MET 25 -4.013 1.446 -2.245 205 2HB MET 25 1HB MET 25 -4.331 -0.280 -2.446 206 1HG MET 25 1HG MET 25 -6.682 0.101 -2.790 207 2HG MET 25 2HG MET 25 -6.546 1.783 -2.267 208 1HE MET 25 2HE MET 25 -5.540 -0.816 -4.968 209 2HE MET 25 1HE MET 25 -4.982 0.209 -6.311 210 3HE MET 25 3HE MET 25 -3.995 0.073 -4.841 211 H PHE 26 H PHE 26 -7.382 0.674 0.051 212 HA PHE 26 HA PHE 26 -8.037 -2.216 0.072 213 1HB PHE 26 1HB PHE 26 -9.460 -1.677 2.083 214 2HB PHE 26 2HB PHE 26 -7.729 -1.653 2.374 215 HD1 PHE 26 HD1 PHE 26 -6.493 0.473 2.760 216 HD2 PHE 26 HD2 PHE 26 -10.763 0.489 2.148 217 HE1 PHE 26 HE1 PHE 26 -6.674 2.619 3.965 218 HE2 PHE 26 HE2 PHE 26 -10.949 2.535 3.515 219 HZ PHE 26 HZ PHE 26 -8.894 3.622 4.418 220 H ILE 27 H ILE 27 -10.235 -2.629 -0.538 221 HA ILE 27 HA ILE 27 -11.463 -0.547 -2.162 222 HB ILE 27 HB ILE 27 -12.634 -3.139 -1.072 223 1HG1 ILE 27 1HG1 ILE 27 -11.559 -2.394 -3.841 224 2HG1 ILE 27 2HG1 ILE 27 -10.675 -3.358 -2.653 225 1HG2 ILE 27 1HG2 ILE 27 -14.364 -1.379 -1.676 226 2HG2 ILE 27 3HG2 ILE 27 -13.671 -1.315 -3.301 227 3HG2 ILE 27 2HG2 ILE 27 -14.443 -2.799 -2.702 228 1HD1 ILE 27 2HD1 ILE 27 -12.499 -5.055 -2.698 229 2HD1 ILE 27 3HD1 ILE 27 -13.267 -4.144 -4.025 230 3HD1 ILE 27 1HD1 ILE 27 -11.657 -4.842 -4.248 231 NH1 ARG 28 NH1 ARG 28 -14.412 7.816 -1.318 232 NH2 ARG 28 NH2 ARG 28 -12.419 7.136 -2.294 233 H ARG 28 H ARG 28 -12.970 0.946 -1.494 234 HA ARG 28 HA ARG 28 -12.662 1.911 1.105 235 1HB ARG 28 1HB ARG 28 -13.392 3.122 -1.005 236 2HB ARG 28 2HB ARG 28 -15.044 2.572 -0.682 237 1HG ARG 28 2HG ARG 28 -15.043 3.748 1.478 238 2HG ARG 28 1HG ARG 28 -13.323 4.129 1.320 239 1HD ARG 28 2HD ARG 28 -15.541 5.188 -0.471 240 2HD ARG 28 1HD ARG 28 -14.714 6.070 0.827 241 HE ARG 28 HE ARG 28 -12.792 5.046 -1.059 242 1HH1 ARG 28 2HH1 ARG 28 -15.197 7.611 -0.719 243 2HH1 ARG 28 1HH1 ARG 28 -14.363 8.709 -1.786 244 1HH2 ARG 28 1HH2 ARG 28 -11.741 6.392 -2.446 245 2HH2 ARG 28 2HH2 ARG 28 -12.308 8.019 -2.766 246 H THR 29 H THR 29 -15.122 -0.355 -0.038 247 HA THR 29 HA THR 29 -16.804 -0.173 2.327 248 HB THR 29 HB THR 29 -17.577 -2.433 1.390 249 HG1 THR 29 HG1 THR 29 -16.688 -3.073 -0.543 250 1HG2 THR 29 3HG2 THR 29 -18.713 -0.309 0.778 251 2HG2 THR 29 1HG2 THR 29 -17.562 -0.071 -0.554 252 3HG2 THR 29 2HG2 THR 29 -18.686 -1.444 -0.585 253 H HIS 30 H HIS 30 -14.692 -2.670 1.042 254 HA HIS 30 HA HIS 30 -14.360 -4.100 3.512 255 1HB HIS 30 2HB HIS 30 -12.837 -4.400 0.909 256 2HB HIS 30 1HB HIS 30 -13.125 -5.658 2.097 257 HD1 HIS 30 HD1 HIS 30 -16.110 -5.556 2.594 258 HD2 HIS 30 HD2 HIS 30 -14.407 -5.010 -1.179 259 HE1 HIS 30 HE1 HIS 30 -17.974 -5.859 0.888 260 NH1 ARG 31 NH2 ARG 31 -15.857 2.292 7.145 261 NH2 ARG 31 NH1 ARG 31 -16.077 2.025 4.851 262 H ARG 31 H ARG 31 -13.535 -1.761 4.313 263 HA ARG 31 HA ARG 31 -10.891 -0.954 4.016 264 1HB ARG 31 2HB ARG 31 -11.224 0.074 6.254 265 2HB ARG 31 1HB ARG 31 -12.546 0.341 5.126 266 1HG ARG 31 2HG ARG 31 -13.599 -1.836 6.379 267 2HG ARG 31 1HG ARG 31 -12.467 -1.350 7.637 268 1HD ARG 31 1HD ARG 31 -14.691 -0.360 7.983 269 2HD ARG 31 2HD ARG 31 -13.506 0.919 7.623 270 HE ARG 31 HE ARG 31 -14.837 -0.096 5.238 271 1HH1 ARG 31 2HH2 ARG 31 -15.505 1.947 8.025 272 2HH1 ARG 31 1HH2 ARG 31 -16.402 3.140 7.122 273 1HH2 ARG 31 1HH1 ARG 31 -15.741 1.575 4.003 274 2HH2 ARG 31 2HH1 ARG 31 -16.653 2.849 4.780 275 H GLU 32 H GLU 32 -12.134 -3.686 5.842 276 HA GLU 32 HA GLU 32 -9.636 -4.142 7.185 277 1HB GLU 32 2HB GLU 32 -10.802 -5.990 8.202 278 2HB GLU 32 1HB GLU 32 -11.995 -4.704 8.084 279 1HG GLU 32 2HG GLU 32 -11.722 -7.152 6.254 280 2HG GLU 32 1HG GLU 32 -12.945 -6.885 7.485 281 OH TYR 33 OH TYR 33 -7.205 -8.661 -2.155 282 H TYR 33 H TYR 33 -10.070 -4.385 4.184 283 HA TYR 33 HA TYR 33 -8.244 -6.735 3.850 284 1HB TYR 33 1HB TYR 33 -10.402 -7.466 3.039 285 2HB TYR 33 2HB TYR 33 -10.603 -5.968 2.121 286 HD1 TYR 33 HD1 TYR 33 -7.632 -8.314 2.352 287 HD2 TYR 33 HD2 TYR 33 -10.698 -6.577 -0.147 288 HE1 TYR 33 HE1 TYR 33 -6.424 -9.065 0.341 289 HE2 TYR 33 HE2 TYR 33 -9.542 -7.459 -2.151 290 HH TYR 33 HH TYR 33 -6.262 -8.764 -1.972 291 H ILE 34 H ILE 34 -6.339 -5.710 3.584 292 HA ILE 34 HA ILE 34 -6.100 -3.277 1.978 293 HB ILE 34 HB ILE 34 -3.910 -5.106 3.005 294 1HG1 ILE 34 2HG1 ILE 34 -5.120 -4.473 4.966 295 2HG1 ILE 34 1HG1 ILE 34 -3.656 -3.502 4.872 296 1HG2 ILE 34 3HG2 ILE 34 -3.284 -3.491 1.212 297 2HG2 ILE 34 1HG2 ILE 34 -3.963 -2.168 2.148 298 3HG2 ILE 34 2HG2 ILE 34 -2.552 -3.065 2.765 299 1HD1 ILE 34 3HD1 ILE 34 -5.019 -1.563 4.036 300 2HD1 ILE 34 2HD1 ILE 34 -6.483 -2.564 4.208 301 3HD1 ILE 34 1HD1 ILE 34 -5.522 -2.144 5.627 302 H SER 35 H SER 35 -6.553 -3.540 -0.038 303 HA SER 35 HA SER 35 -6.565 -6.106 -1.399 304 1HB SER 35 1HB SER 35 -7.392 -3.356 -2.395 305 2HB SER 35 2HB SER 35 -7.950 -4.931 -2.983 306 HG SER 35 HG SER 35 -8.414 -4.536 -0.267 307 H GLU 36 H GLU 36 -4.530 -3.206 -1.398 308 HA GLU 36 HA GLU 36 -2.560 -4.526 -2.952 309 1HB GLU 36 2HB GLU 36 -4.531 -3.210 -4.557 310 2HB GLU 36 1HB GLU 36 -3.148 -2.122 -4.556 311 1HG GLU 36 2HG GLU 36 -2.894 -5.098 -5.142 312 2HG GLU 36 1HG GLU 36 -3.294 -3.916 -6.391 313 NH1 ARG 37 NH1 ARG 37 -1.988 -5.690 0.437 314 NH2 ARG 37 NH2 ARG 37 -1.334 -5.657 2.647 315 H ARG 37 H ARG 37 -0.906 -2.576 -3.632 316 HA ARG 37 HA ARG 37 -0.797 -0.601 -1.400 317 1HB ARG 37 1HB ARG 37 1.317 -2.648 -2.209 318 2HB ARG 37 2HB ARG 37 1.726 -1.130 -1.427 319 1HG ARG 37 2HG ARG 37 1.561 -2.413 0.424 320 2HG ARG 37 1HG ARG 37 -0.080 -1.827 0.320 321 1HD ARG 37 2HD ARG 37 -0.649 -3.987 -0.895 322 2HD ARG 37 1HD ARG 37 1.023 -4.492 -0.674 323 HE ARG 37 HE ARG 37 0.493 -4.148 1.849 324 1HH1 ARG 37 2HH1 ARG 37 -1.730 -5.598 -0.539 325 2HH1 ARG 37 1HH1 ARG 37 -2.893 -6.093 0.666 326 1HH2 ARG 37 2HH2 ARG 37 -0.654 -5.440 3.383 327 2HH2 ARG 37 1HH2 ARG 37 -2.110 -6.250 2.889 328 H GLY 38 H GLY 38 0.836 1.003 -1.742 329 1HA GLY 38 2HA GLY 38 1.762 1.451 -4.499 330 2HA GLY 38 1HA GLY 38 0.509 2.570 -4.007 331 H CYS 39 H CYS 39 2.516 3.918 -4.595 332 HA CYS 39 HA CYS 39 4.618 4.099 -2.501 333 1HB CYS 39 2HB CYS 39 5.363 3.735 -4.786 334 2HB CYS 39 1HB CYS 39 4.404 5.100 -5.366 335 H GLY 40 H GLY 40 5.168 6.136 -1.602 336 1HA GLY 40 2HA GLY 40 4.312 7.758 -0.280 337 2HA GLY 40 1HA GLY 40 4.874 8.596 -1.668 338 H CYS 41 H CYS 41 2.461 7.797 0.453 339 HA CYS 41 HA CYS 41 0.171 7.747 0.617 340 1HB CYS 41 1HB CYS 41 1.758 9.181 1.864 341 2HB CYS 41 2HB CYS 41 1.353 10.508 0.827 342 HA PRO 42 HA PRO 42 -3.115 7.606 -2.006 343 1HB PRO 42 2HB PRO 42 -3.077 10.628 -1.654 344 2HB PRO 42 1HB PRO 42 -4.503 9.650 -2.150 345 1HG PRO 42 2HG PRO 42 -3.981 10.010 0.491 346 2HG PRO 42 1HG PRO 42 -4.509 8.424 -0.115 347 1HD PRO 42 2HD PRO 42 -1.949 9.283 0.841 348 2HD PRO 42 1HD PRO 42 -2.473 7.576 0.632 349 H THR 43 H THR 43 -4.113 8.075 -3.825 350 HA THR 43 HA THR 43 -3.220 9.228 -6.162 351 HB THR 43 HB THR 43 -2.818 6.213 -6.271 352 HG1 THR 43 HG1 THR 43 -0.986 8.146 -5.532 353 1HG2 THR 43 1HG2 THR 43 -2.105 8.438 -8.187 354 2HG2 THR 43 2HG2 THR 43 -1.794 6.695 -8.412 355 3HG2 THR 43 3HG2 THR 43 -3.463 7.294 -8.347 356 H ALA 44 H ALA 44 -4.303 6.468 -5.028 357 HA ALA 44 HA ALA 44 -6.504 5.463 -6.317 358 1HB ALA 44 2HB ALA 44 -5.418 4.415 -4.323 359 2HB ALA 44 3HB ALA 44 -6.227 5.600 -3.277 360 3HB ALA 44 1HB ALA 44 -7.191 4.418 -4.180 361 H MET 45 H MET 45 -8.756 5.705 -6.370 362 HA MET 45 HA MET 45 -10.068 7.879 -4.907 363 1HB MET 45 1HB MET 45 -10.041 7.272 -7.910 364 2HB MET 45 2HB MET 45 -11.202 8.317 -7.102 365 1HG MET 45 2HG MET 45 -9.306 9.760 -6.301 366 2HG MET 45 1HG MET 45 -8.193 8.742 -7.225 367 1HE MET 45 3HE MET 45 -7.098 10.653 -8.474 368 2HE MET 45 2HE MET 45 -7.993 11.960 -9.287 369 3HE MET 45 1HE MET 45 -8.081 11.790 -7.517 370 CH2 TRP 46 CH2 TRP 46 -19.947 5.135 -6.325 371 H TRP 46 H TRP 46 -12.533 7.521 -5.472 372 HA TRP 46 HA TRP 46 -13.403 5.118 -4.353 373 1HB TRP 46 1HB TRP 46 -14.655 7.387 -4.769 374 2HB TRP 46 2HB TRP 46 -14.941 6.776 -6.371 375 HD1 TRP 46 HD1 TRP 46 -15.441 5.209 -2.834 376 HE1 TRP 46 HE1 TRP 46 -17.843 4.237 -2.723 377 HE3 TRP 46 HE3 TRP 46 -17.083 6.723 -7.353 378 HZ2 TRP 46 HZ2 TRP 46 -20.172 4.160 -4.407 379 HZ3 TRP 46 HZ3 TRP 46 -19.425 6.204 -8.127 380 HH2 TRP 46 HH2 TRP 46 -20.955 4.918 -6.650 381 HA PRO 47 HA PRO 47 -14.960 3.300 -4.567 382 1HB PRO 47 1HB PRO 47 -15.065 0.649 -4.850 383 2HB PRO 47 2HB PRO 47 -15.954 1.726 -5.958 384 1HG PRO 47 1HG PRO 47 -13.207 0.508 -6.428 385 2HG PRO 47 2HG PRO 47 -14.641 0.390 -7.492 386 1HD PRO 47 1HD PRO 47 -12.729 2.323 -7.853 387 2HD PRO 47 2HD PRO 47 -14.457 2.669 -8.133 388 OH TYR 48 OH TYR 48 -9.451 -2.630 -7.053 389 H TYR 48 H TYR 48 -11.676 3.425 -4.955 390 HA TYR 48 HA TYR 48 -11.062 1.543 -2.723 391 1HB TYR 48 1HB TYR 48 -9.326 3.036 -4.722 392 2HB TYR 48 2HB TYR 48 -8.709 2.181 -3.316 393 HD1 TYR 48 HD1 TYR 48 -8.939 -0.323 -3.178 394 HD2 TYR 48 HD2 TYR 48 -10.159 1.855 -6.689 395 HE1 TYR 48 HE1 TYR 48 -8.860 -2.417 -4.505 396 HE2 TYR 48 HE2 TYR 48 -10.129 -0.244 -8.000 397 HH TYR 48 HH TYR 48 -9.704 -2.514 -7.971 398 H GLN 49 H GLN 49 -9.562 2.262 -1.134 399 HA GLN 49 HA GLN 49 -9.099 5.113 -0.866 400 1HB GLN 49 1HB GLN 49 -11.091 4.964 0.317 401 2HB GLN 49 2HB GLN 49 -10.504 3.603 1.268 402 1HG GLN 49 2HG GLN 49 -10.511 5.772 2.528 403 2HG GLN 49 1HG GLN 49 -8.862 5.186 2.346 404 1HE2 GLN 49 2HE2 GLN 49 -10.094 8.528 0.235 405 2HE2 GLN 49 1HE2 GLN 49 -11.297 7.418 0.870 406 H THR 50 H THR 50 -7.446 5.491 0.390 407 HA THR 50 HA THR 50 -5.493 3.282 0.906 408 HB THR 50 HB THR 50 -3.923 5.436 0.443 409 HG1 THR 50 HG1 THR 50 -5.943 6.711 0.141 410 1HG2 THR 50 2HG2 THR 50 -5.343 3.828 -1.713 411 2HG2 THR 50 3HG2 THR 50 -3.834 4.751 -1.915 412 3HG2 THR 50 1HG2 THR 50 -3.887 3.350 -0.817 413 H GLU 51 H GLU 51 -4.085 3.310 2.559 414 HA GLU 51 HA GLU 51 -4.208 5.548 4.529 415 1HB GLU 51 1HB GLU 51 -3.900 3.992 6.383 416 2HB GLU 51 2HB GLU 51 -5.451 3.806 5.561 417 1HG GLU 51 2HG GLU 51 -4.375 1.934 4.230 418 2HG GLU 51 1HG GLU 51 -2.991 2.044 5.331 419 H CYS 52 H CYS 52 -2.151 6.346 5.022 420 HA CYS 52 HA CYS 52 0.018 5.332 3.351 421 1HB CYS 52 2HB CYS 52 -0.018 7.755 5.112 422 2HB CYS 52 1HB CYS 52 1.008 7.432 3.715 423 H CYS 53 H CYS 53 2.247 5.321 4.185 424 HA CYS 53 HA CYS 53 2.765 5.363 7.035 425 1HB CYS 53 1HB CYS 53 3.627 3.126 7.242 426 2HB CYS 53 2HB CYS 53 1.943 3.030 6.714 427 H LYS 54 H LYS 54 5.225 4.933 7.349 428 HA LYS 54 HA LYS 54 6.847 5.587 4.990 429 1HB LYS 54 1HB LYS 54 8.164 6.940 6.713 430 2HB LYS 54 2HB LYS 54 6.746 7.702 5.993 431 1HG LYS 54 2HG LYS 54 5.444 7.240 8.071 432 2HG LYS 54 1HG LYS 54 6.803 6.297 8.698 433 1HD LYS 54 2HD LYS 54 7.073 8.247 9.843 434 2HD LYS 54 1HD LYS 54 8.183 8.509 8.503 435 1HE LYS 54 1HE LYS 54 5.328 9.605 8.770 436 2HE LYS 54 2HE LYS 54 6.821 10.508 9.058 437 1HZ LYS 54 3HZ LYS 54 7.390 10.145 6.747 438 2HZ LYS 54 1HZ LYS 54 5.930 9.415 6.493 439 3HZ LYS 54 2HZ LYS 54 5.992 10.999 6.931 440 H GLY 55 H GLY 55 8.835 4.600 5.064 441 1HA GLY 55 2HA GLY 55 10.608 3.567 6.416 442 2HA GLY 55 1HA GLY 55 9.387 2.708 7.353 443 H ASP 56 H ASP 56 11.540 1.444 6.044 444 HA ASP 56 HA ASP 56 10.938 0.439 3.449 445 1HB ASP 56 1HB ASP 56 12.624 -1.270 4.043 446 2HB ASP 56 2HB ASP 56 13.196 0.378 4.319 447 NH1 ARG 57 NH1 ARG 57 12.975 -6.636 5.085 448 NH2 ARG 57 NH2 ARG 57 13.543 -4.659 6.157 449 H ARG 57 H ARG 57 9.484 -1.039 2.864 450 HA ARG 57 HA ARG 57 7.755 -2.552 2.970 451 1HB ARG 57 2HB ARG 57 9.496 -3.641 5.217 452 2HB ARG 57 1HB ARG 57 8.200 -4.533 4.456 453 1HG ARG 57 2HG ARG 57 9.278 -4.669 2.361 454 2HG ARG 57 1HG ARG 57 10.457 -3.412 2.761 455 1HD ARG 57 1HD ARG 57 10.309 -6.102 4.163 456 2HD ARG 57 2HD ARG 57 11.433 -5.685 2.847 457 HE ARG 57 HE ARG 57 11.668 -3.700 4.856 458 1HH1 ARG 57 2HH1 ARG 57 12.380 -7.128 4.435 459 2HH1 ARG 57 1HH1 ARG 57 13.708 -7.134 5.567 460 1HH2 ARG 57 2HH2 ARG 57 13.376 -3.663 6.303 461 2HH2 ARG 57 1HH2 ARG 57 14.286 -5.111 6.666 462 H CYS 58 H CYS 58 7.534 -0.017 4.809 463 HA CYS 58 HA CYS 58 6.162 -0.826 7.135 464 1HB CYS 58 1HB CYS 58 5.375 1.413 7.247 465 2HB CYS 58 2HB CYS 58 7.032 1.430 6.651 466 H ASN 59 H ASN 59 5.034 -0.561 3.798 467 HA ASN 59 HA ASN 59 2.200 -0.503 4.494 468 1HB ASN 59 2HB ASN 59 1.874 -0.436 2.089 469 2HB ASN 59 1HB ASN 59 3.062 0.769 2.585 470 1HD2 ASN 59 2HD2 ASN 59 4.111 -1.156 -0.538 471 2HD2 ASN 59 1HD2 ASN 59 2.864 -0.051 -0.006 472 H LYS 60 H LYS 60 3.044 -2.656 5.764 473 HA LYS 60 HA LYS 60 2.719 -5.082 4.117 474 1HB LYS 60 2HB LYS 60 3.224 -6.284 6.096 475 2HB LYS 60 1HB LYS 60 4.280 -4.871 6.095 476 1HG LYS 60 1HG LYS 60 3.604 -4.716 8.256 477 2HG LYS 60 2HG LYS 60 2.279 -3.809 7.527 478 1HD LYS 60 1HD LYS 60 1.185 -6.294 7.356 479 2HD LYS 60 2HD LYS 60 2.353 -6.627 8.639 480 1HE LYS 60 1HE LYS 60 0.382 -5.986 9.796 481 2HE LYS 60 2HE LYS 60 1.355 -4.503 9.801 482 1HZ LYS 60 2HZ LYS 60 0.074 -3.937 7.726 483 2HZ LYS 60 1HZ LYS 60 -0.906 -5.197 8.060 484 3HZ LYS 60 3HZ LYS 60 -0.814 -3.945 9.129 Start of MODEL 4 Raw file had 484 H/Q atoms Start of MODEL 4 1 NH1 ARG 1 NH2 ARG 1 14.605 5.450 4.272 2 NH2 ARG 1 NH1 ARG 1 13.317 7.366 4.107 3 1H ARG 1 2H ARG 1 11.932 2.794 -2.328 4 2H ARG 1 1H ARG 1 10.890 3.724 -1.466 5 3H ARG 1 3H ARG 1 12.379 4.306 -1.826 6 HA ARG 1 HA ARG 1 13.426 2.649 -0.465 7 1HB ARG 1 1HB ARG 1 12.023 4.654 0.625 8 2HB ARG 1 2HB ARG 1 10.999 3.332 1.190 9 1HG ARG 1 1HG ARG 1 13.279 2.353 2.152 10 2HG ARG 1 2HG ARG 1 13.941 3.946 1.800 11 1HD ARG 1 1HD ARG 1 11.364 3.540 3.337 12 2HD ARG 1 2HD ARG 1 12.899 3.430 4.167 13 HE ARG 1 HE ARG 1 11.593 5.864 3.180 14 1HH1 ARG 1 1HH2 ARG 1 14.709 4.457 4.132 15 2HH1 ARG 1 2HH2 ARG 1 15.368 5.977 4.670 16 1HH2 ARG 1 1HH1 ARG 1 12.430 7.788 3.853 17 2HH2 ARG 1 2HH1 ARG 1 14.055 7.936 4.493 18 H ILE 2 H ILE 2 12.601 0.823 1.410 19 HA ILE 2 HA ILE 2 11.241 -1.193 -0.244 20 HB ILE 2 HB ILE 2 13.360 -1.287 1.672 21 1HG1 ILE 2 1HG1 ILE 2 13.098 -2.612 -0.427 22 2HG1 ILE 2 2HG1 ILE 2 13.602 -3.544 0.973 23 1HG2 ILE 2 1HG2 ILE 2 10.893 -2.814 2.652 24 2HG2 ILE 2 3HG2 ILE 2 12.557 -3.152 3.138 25 3HG2 ILE 2 2HG2 ILE 2 11.844 -1.578 3.513 26 1HD1 ILE 2 3HD1 ILE 2 10.694 -3.448 0.056 27 2HD1 ILE 2 1HD1 ILE 2 11.860 -4.694 -0.426 28 3HD1 ILE 2 2HD1 ILE 2 11.420 -4.520 1.270 29 H CYS 3 H CYS 3 9.124 -1.680 0.042 30 HA CYS 3 HA CYS 3 7.785 -0.892 2.586 31 1HB CYS 3 1HB CYS 3 7.225 0.152 -0.184 32 2HB CYS 3 2HB CYS 3 5.908 -0.043 0.972 33 OH TYR 4 OH TYR 4 4.799 -6.295 7.865 34 H TYR 4 H TYR 4 5.378 -1.737 2.421 35 HA TYR 4 HA TYR 4 5.842 -4.566 2.303 36 1HB TYR 4 2HB TYR 4 3.521 -2.762 2.941 37 2HB TYR 4 1HB TYR 4 3.100 -4.359 2.345 38 HD1 TYR 4 HD2 TYR 4 5.939 -3.336 4.614 39 HD2 TYR 4 HD1 TYR 4 2.257 -5.543 4.171 40 HE1 TYR 4 HE2 TYR 4 6.398 -4.554 6.728 41 HE2 TYR 4 HE1 TYR 4 2.669 -6.663 6.325 42 HH TYR 4 HH TYR 4 4.057 -6.828 8.156 43 H SER 5 H SER 5 5.150 -6.090 1.156 44 HA SER 5 HA SER 5 5.844 -6.071 -1.290 45 1HB SER 5 1HB SER 5 3.629 -7.735 -0.104 46 2HB SER 5 2HB SER 5 4.806 -8.418 -1.216 47 HG SER 5 HG SER 5 5.301 -8.904 1.007 48 H HIS 6 H HIS 6 5.232 -6.385 -3.225 49 HA HIS 6 HA HIS 6 4.142 -5.708 -5.195 50 1HB HIS 6 2HB HIS 6 3.157 -7.670 -5.738 51 2HB HIS 6 1HB HIS 6 3.880 -8.139 -4.256 52 HD1 HIS 6 HD1 HIS 6 1.553 -6.881 -2.314 53 HD2 HIS 6 HD2 HIS 6 1.086 -9.396 -5.617 54 HE1 HIS 6 HE1 HIS 6 -0.655 -8.085 -2.021 55 H LYS 7 H LYS 7 1.277 -6.163 -5.525 56 HA LYS 7 HA LYS 7 -0.156 -4.177 -4.025 57 1HB LYS 7 1HB LYS 7 -0.655 -2.653 -5.976 58 2HB LYS 7 2HB LYS 7 0.923 -2.461 -5.239 59 1HG LYS 7 2HG LYS 7 2.042 -3.615 -7.024 60 2HG LYS 7 1HG LYS 7 0.518 -4.110 -7.777 61 1HD LYS 7 2HD LYS 7 1.266 -1.189 -7.409 62 2HD LYS 7 1HD LYS 7 1.736 -2.137 -8.830 63 1HE LYS 7 1HE LYS 7 -0.640 -2.652 -9.317 64 2HE LYS 7 2HE LYS 7 -1.149 -1.683 -7.924 65 1HZ LYS 7 2HZ LYS 7 0.321 -0.679 -10.252 66 2HZ LYS 7 1HZ LYS 7 -1.281 -0.457 -9.939 67 3HZ LYS 7 3HZ LYS 7 -0.149 0.218 -8.951 68 H ALA 8 H ALA 8 -0.083 -6.026 -7.051 69 HA ALA 8 HA ALA 8 -2.987 -6.710 -6.739 70 1HB ALA 8 3HB ALA 8 -2.709 -4.646 -8.146 71 2HB ALA 8 2HB ALA 8 -1.754 -5.614 -9.286 72 3HB ALA 8 1HB ALA 8 -3.468 -5.999 -8.976 73 H SER 9 H SER 9 -2.870 -7.787 -9.453 74 HA SER 9 HA SER 9 -1.969 -10.471 -8.801 75 1HB SER 9 2HB SER 9 -2.835 -10.871 -11.158 76 2HB SER 9 1HB SER 9 -4.013 -10.151 -10.042 77 HG SER 9 HG SER 9 -2.408 -8.780 -11.936 78 H LEU 10 H LEU 10 0.237 -9.513 -8.407 79 HA LEU 10 HA LEU 10 2.019 -9.871 -10.747 80 1HB LEU 10 1HB LEU 10 2.272 -7.805 -8.511 81 2HB LEU 10 2HB LEU 10 3.477 -8.074 -9.768 82 HG LEU 10 HG LEU 10 0.650 -7.038 -10.263 83 1HD1 LEU 10 1HD1 LEU 10 2.092 -5.466 -8.998 84 2HD1 LEU 10 2HD1 LEU 10 3.328 -5.587 -10.265 85 3HD1 LEU 10 3HD1 LEU 10 1.740 -4.880 -10.634 86 1HD2 LEU 10 1HD2 LEU 10 3.065 -7.301 -12.121 87 2HD2 LEU 10 2HD2 LEU 10 1.549 -8.217 -12.252 88 3HD2 LEU 10 3HD2 LEU 10 1.546 -6.471 -12.516 89 HA PRO 11 HA PRO 11 3.925 -12.724 -7.978 90 1HB PRO 11 1HB PRO 11 6.546 -11.294 -8.016 91 2HB PRO 11 2HB PRO 11 6.225 -13.015 -8.348 92 1HG PRO 11 1HG PRO 11 6.712 -11.325 -10.432 93 2HG PRO 11 2HG PRO 11 5.417 -12.552 -10.544 94 1HD PRO 11 2HD PRO 11 5.145 -9.615 -9.902 95 2HD PRO 11 1HD PRO 11 4.169 -10.614 -11.021 96 NH1 ARG 12 NH2 ARG 12 -0.414 -11.298 -6.293 97 NH2 ARG 12 NH1 ARG 12 -2.168 -12.289 -5.171 98 H ARG 12 H ARG 12 4.336 -12.959 -5.756 99 HA ARG 12 HA ARG 12 3.780 -10.517 -4.168 100 1HB ARG 12 2HB ARG 12 3.769 -13.464 -3.409 101 2HB ARG 12 1HB ARG 12 3.564 -12.080 -2.322 102 1HG ARG 12 1HG ARG 12 1.397 -12.878 -2.771 103 2HG ARG 12 2HG ARG 12 1.558 -11.349 -3.629 104 1HD ARG 12 2HD ARG 12 1.821 -12.587 -5.773 105 2HD ARG 12 1HD ARG 12 1.814 -14.115 -4.892 106 HE ARG 12 HE ARG 12 -0.456 -13.910 -4.396 107 1HH1 ARG 12 2HH2 ARG 12 0.552 -11.305 -6.601 108 2HH1 ARG 12 1HH2 ARG 12 -0.963 -10.473 -6.514 109 1HH2 ARG 12 1HH1 ARG 12 -2.518 -12.994 -4.540 110 2HH2 ARG 12 2HH1 ARG 12 -2.797 -11.591 -5.537 111 H ALA 13 H ALA 13 5.540 -9.395 -3.628 112 HA ALA 13 HA ALA 13 7.679 -10.665 -2.060 113 1HB ALA 13 3HB ALA 13 8.300 -9.252 -4.701 114 2HB ALA 13 2HB ALA 13 9.502 -9.778 -3.502 115 3HB ALA 13 1HB ALA 13 8.533 -10.984 -4.371 116 H THR 14 H THR 14 9.076 -8.930 -1.021 117 HA THR 14 HA THR 14 7.476 -6.713 -0.056 118 HB THR 14 HB THR 14 9.741 -6.238 1.051 119 HG1 THR 14 HG1 THR 14 10.875 -7.497 -0.571 120 1HG2 THR 14 3HG2 THR 14 8.378 -8.937 1.472 121 2HG2 THR 14 2HG2 THR 14 9.459 -8.126 2.627 122 3HG2 THR 14 1HG2 THR 14 7.900 -7.393 2.208 123 H LYS 15 H LYS 15 7.566 -4.595 -0.811 124 HA LYS 15 HA LYS 15 8.701 -4.621 -3.552 125 1HB LYS 15 1HB LYS 15 7.096 -3.344 -4.237 126 2HB LYS 15 2HB LYS 15 6.272 -4.203 -2.945 127 1HG LYS 15 1HG LYS 15 6.557 -2.179 -1.487 128 2HG LYS 15 2HG LYS 15 7.211 -1.306 -2.883 129 1HD LYS 15 2HD LYS 15 4.450 -2.588 -2.691 130 2HD LYS 15 1HD LYS 15 4.807 -0.864 -2.589 131 1HE LYS 15 1HE LYS 15 5.669 -0.938 -4.961 132 2HE LYS 15 2HE LYS 15 5.240 -2.661 -5.035 133 1HZ LYS 15 2HZ LYS 15 3.007 -2.131 -4.620 134 2HZ LYS 15 3HZ LYS 15 3.335 -0.511 -4.617 135 3HZ LYS 15 1HZ LYS 15 3.553 -1.394 -5.993 136 H THR 16 H THR 16 10.679 -4.083 -3.725 137 HA THR 16 HA THR 16 11.953 -1.902 -2.232 138 HB THR 16 HB THR 16 12.982 -3.574 -4.565 139 HG1 THR 16 HG1 THR 16 12.381 -4.780 -2.648 140 1HG2 THR 16 1HG2 THR 16 14.398 -1.898 -2.433 141 2HG2 THR 16 2HG2 THR 16 15.195 -2.920 -3.647 142 3HG2 THR 16 3HG2 THR 16 14.278 -1.492 -4.159 143 H CYS 17 H CYS 17 10.557 -0.201 -2.811 144 HA CYS 17 HA CYS 17 10.269 0.519 -5.689 145 1HB CYS 17 1HB CYS 17 8.416 0.522 -3.781 146 2HB CYS 17 2HB CYS 17 9.168 2.104 -3.489 147 H VAL 18 H VAL 18 10.351 3.148 -5.874 148 HA VAL 18 HA VAL 18 13.010 3.958 -4.841 149 HB VAL 18 HB VAL 18 12.815 5.721 -6.483 150 1HG1 VAL 18 2HG1 VAL 18 14.014 3.596 -6.932 151 2HG1 VAL 18 1HG1 VAL 18 12.533 2.918 -7.642 152 3HG1 VAL 18 3HG1 VAL 18 13.344 4.293 -8.415 153 1HG2 VAL 18 3HG2 VAL 18 10.331 4.343 -7.543 154 2HG2 VAL 18 2HG2 VAL 18 10.483 6.022 -6.935 155 3HG2 VAL 18 1HG2 VAL 18 11.296 5.538 -8.415 156 H GLU 19 H GLU 19 9.619 5.201 -5.100 157 HA GLU 19 HA GLU 19 9.943 7.549 -3.695 158 1HB GLU 19 2HB GLU 19 7.538 5.684 -3.510 159 2HB GLU 19 1HB GLU 19 7.560 7.376 -3.021 160 1HG GLU 19 2HG GLU 19 6.687 7.721 -5.054 161 2HG GLU 19 1HG GLU 19 8.379 7.771 -5.516 162 H ASN 20 H ASN 20 9.735 8.272 -1.652 163 HA ASN 20 HA ASN 20 10.516 6.511 0.546 164 1HB ASN 20 1HB ASN 20 11.466 8.763 0.402 165 2HB ASN 20 2HB ASN 20 9.843 9.475 0.359 166 1HD2 ASN 20 2HD2 ASN 20 10.022 9.898 3.858 167 2HD2 ASN 20 1HD2 ASN 20 9.731 10.631 2.293 168 H THR 21 H THR 21 7.532 7.912 -0.785 169 HA THR 21 HA THR 21 6.033 7.440 1.694 170 HB THR 21 HB THR 21 4.191 8.355 0.168 171 HG1 THR 21 HG1 THR 21 5.089 9.624 -1.579 172 1HG2 THR 21 3HG2 THR 21 6.572 10.124 0.901 173 2HG2 THR 21 1HG2 THR 21 4.948 10.718 0.490 174 3HG2 THR 21 2HG2 THR 21 5.180 9.722 1.934 175 H CYS 22 H CYS 22 4.306 5.950 1.681 176 HA CYS 22 HA CYS 22 3.871 4.176 -0.598 177 1HB CYS 22 1HB CYS 22 4.755 3.141 2.117 178 2HB CYS 22 2HB CYS 22 4.344 2.158 0.732 179 OH TYR 23 OH TYR 23 -1.379 1.246 -4.593 180 H TYR 23 H TYR 23 2.158 2.444 0.359 181 HA TYR 23 HA TYR 23 0.432 3.724 2.370 182 1HB TYR 23 1HB TYR 23 -1.492 3.821 0.894 183 2HB TYR 23 2HB TYR 23 -0.190 4.780 0.227 184 HD1 TYR 23 HD2 TYR 23 -2.161 1.648 -0.136 185 HD2 TYR 23 HD1 TYR 23 0.976 4.026 -1.876 186 HE1 TYR 23 HE2 TYR 23 -2.579 0.590 -2.338 187 HE2 TYR 23 HE1 TYR 23 0.484 3.021 -4.097 188 HH TYR 23 HH TYR 23 -2.052 0.562 -4.560 189 H LYS 24 H LYS 24 -1.461 2.571 2.746 190 HA LYS 24 HA LYS 24 -1.402 -0.332 2.218 191 1HB LYS 24 1HB LYS 24 -2.359 -0.570 4.591 192 2HB LYS 24 2HB LYS 24 -0.604 -0.411 4.391 193 1HG LYS 24 2HG LYS 24 -0.570 1.797 5.218 194 2HG LYS 24 1HG LYS 24 -2.297 2.009 4.917 195 1HD LYS 24 1HD LYS 24 -1.881 1.760 7.325 196 2HD LYS 24 2HD LYS 24 -2.878 0.436 6.703 197 1HE LYS 24 2HE LYS 24 -0.863 -1.049 6.652 198 2HE LYS 24 1HE LYS 24 0.126 0.292 7.258 199 1HZ LYS 24 3HZ LYS 24 -1.217 0.299 9.227 200 2HZ LYS 24 1HZ LYS 24 -2.132 -0.951 8.650 201 3HZ LYS 24 2HZ LYS 24 -0.530 -1.179 8.965 202 H MET 25 H MET 25 -3.253 -1.009 1.455 203 HA MET 25 HA MET 25 -5.512 0.906 1.189 204 1HB MET 25 1HB MET 25 -4.206 0.572 -0.746 205 2HB MET 25 2HB MET 25 -4.358 -1.163 -0.584 206 1HG MET 25 2HG MET 25 -6.722 -1.099 -1.084 207 2HG MET 25 1HG MET 25 -6.724 0.670 -1.064 208 1HE MET 25 2HE MET 25 -4.851 1.960 -2.717 209 2HE MET 25 1HE MET 25 -5.327 1.717 -4.414 210 3HE MET 25 3HE MET 25 -6.566 2.059 -3.186 211 H PHE 26 H PHE 26 -7.626 0.188 1.426 212 HA PHE 26 HA PHE 26 -8.127 -2.643 2.113 213 1HB PHE 26 1HB PHE 26 -9.532 -1.833 4.049 214 2HB PHE 26 2HB PHE 26 -7.795 -1.702 4.276 215 HD1 PHE 26 HD2 PHE 26 -6.614 0.538 4.009 216 HD2 PHE 26 HD1 PHE 26 -10.899 0.111 4.298 217 HE1 PHE 26 HE2 PHE 26 -6.810 2.896 4.722 218 HE2 PHE 26 HE1 PHE 26 -11.048 2.390 5.255 219 HZ PHE 26 HZ PHE 26 -8.983 3.782 5.506 220 H ILE 27 H ILE 27 -10.366 -3.229 1.746 221 HA ILE 27 HA ILE 27 -11.523 -1.760 -0.441 222 HB ILE 27 HB ILE 27 -12.748 -3.861 1.393 223 1HG1 ILE 27 2HG1 ILE 27 -11.490 -4.012 -1.396 224 2HG1 ILE 27 1HG1 ILE 27 -10.783 -4.632 0.098 225 1HG2 ILE 27 3HG2 ILE 27 -14.513 -2.496 0.270 226 2HG2 ILE 27 2HG2 ILE 27 -13.733 -2.781 -1.298 227 3HG2 ILE 27 1HG2 ILE 27 -14.475 -4.115 -0.394 228 1HD1 ILE 27 2HD1 ILE 27 -12.824 -6.148 0.317 229 2HD1 ILE 27 1HD1 ILE 27 -13.219 -5.698 -1.358 230 3HD1 ILE 27 3HD1 ILE 27 -11.691 -6.511 -1.003 231 NH1 ARG 28 NH1 ARG 28 -15.042 5.893 -3.190 232 NH2 ARG 28 NH2 ARG 28 -12.771 5.420 -3.128 233 H ARG 28 H ARG 28 -13.113 -0.239 -0.495 234 HA ARG 28 HA ARG 28 -13.089 1.739 1.404 235 1HB ARG 28 1HB ARG 28 -13.787 1.933 -0.931 236 2HB ARG 28 2HB ARG 28 -15.271 1.031 -0.632 237 1HG ARG 28 2HG ARG 28 -16.256 2.812 0.577 238 2HG ARG 28 1HG ARG 28 -14.717 3.621 0.858 239 1HD ARG 28 1HD ARG 28 -16.071 3.345 -1.852 240 2HD ARG 28 2HD ARG 28 -16.038 4.798 -0.828 241 HE ARG 28 HE ARG 28 -13.358 3.856 -1.358 242 1HH1 ARG 28 1HH1 ARG 28 -15.970 5.740 -2.826 243 2HH1 ARG 28 2HH1 ARG 28 -14.895 6.587 -3.908 244 1HH2 ARG 28 2HH2 ARG 28 -12.009 4.883 -2.720 245 2HH2 ARG 28 1HH2 ARG 28 -12.535 6.120 -3.816 246 H THR 29 H THR 29 -15.510 -0.866 1.195 247 HA THR 29 HA THR 29 -17.103 0.185 3.391 248 HB THR 29 HB THR 29 -18.273 -2.082 2.905 249 HG1 THR 29 HG1 THR 29 -17.014 -3.341 1.713 250 1HG2 THR 29 1HG2 THR 29 -17.903 -0.093 0.616 251 2HG2 THR 29 3HG2 THR 29 -19.228 -1.259 0.792 252 3HG2 THR 29 2HG2 THR 29 -19.057 0.065 1.960 253 H HIS 30 H HIS 30 -14.119 -1.474 3.474 254 HA HIS 30 HA HIS 30 -14.848 -2.783 6.074 255 1HB HIS 30 1HB HIS 30 -13.163 -4.023 3.878 256 2HB HIS 30 2HB HIS 30 -13.648 -4.764 5.413 257 HD1 HIS 30 HD1 HIS 30 -16.614 -4.388 5.557 258 HD2 HIS 30 HD2 HIS 30 -14.726 -4.986 1.867 259 HE1 HIS 30 HE1 HIS 30 -18.411 -5.010 3.884 260 NH1 ARG 31 NH1 ARG 31 -8.258 3.296 8.454 261 NH2 ARG 31 NH2 ARG 31 -7.767 1.092 7.878 262 H ARG 31 H ARG 31 -13.931 -0.790 6.953 263 HA ARG 31 HA ARG 31 -11.374 0.095 6.652 264 1HB ARG 31 2HB ARG 31 -13.462 0.113 8.768 265 2HB ARG 31 1HB ARG 31 -11.849 0.293 9.434 266 1HG ARG 31 2HG ARG 31 -12.576 1.947 7.015 267 2HG ARG 31 1HG ARG 31 -13.268 2.354 8.570 268 1HD ARG 31 1HD ARG 31 -11.017 3.500 7.947 269 2HD ARG 31 2HD ARG 31 -11.129 2.777 9.565 270 HE ARG 31 HE ARG 31 -10.120 0.730 8.039 271 1HH1 ARG 31 1HH1 ARG 31 -8.944 3.990 8.704 272 2HH1 ARG 31 2HH1 ARG 31 -7.278 3.555 8.396 273 1HH2 ARG 31 2HH2 ARG 31 -8.110 0.162 7.662 274 2HH2 ARG 31 1HH2 ARG 31 -6.780 1.301 7.767 275 H GLU 32 H GLU 32 -12.331 -2.428 8.961 276 HA GLU 32 HA GLU 32 -9.585 -2.921 9.798 277 1HB GLU 32 1HB GLU 32 -12.222 -4.328 10.425 278 2HB GLU 32 2HB GLU 32 -10.677 -4.599 11.235 279 1HG GLU 32 2HG GLU 32 -10.603 -2.221 11.938 280 2HG GLU 32 1HG GLU 32 -12.178 -1.941 11.184 281 OH TYR 33 OH TYR 33 -9.245 -9.192 1.243 282 H TYR 33 H TYR 33 -9.483 -3.261 7.161 283 HA TYR 33 HA TYR 33 -8.695 -6.058 6.937 284 1HB TYR 33 1HB TYR 33 -11.065 -6.307 6.383 285 2HB TYR 33 2HB TYR 33 -10.964 -4.946 5.260 286 HD1 TYR 33 HD1 TYR 33 -8.366 -7.664 5.417 287 HD2 TYR 33 HD2 TYR 33 -11.846 -6.126 3.367 288 HE1 TYR 33 HE1 TYR 33 -7.837 -9.059 3.458 289 HE2 TYR 33 HE2 TYR 33 -11.358 -7.613 1.456 290 HH TYR 33 HH TYR 33 -9.912 -9.163 0.555 291 H ILE 34 H ILE 34 -6.632 -5.022 6.689 292 HA ILE 34 HA ILE 34 -6.208 -3.171 4.455 293 HB ILE 34 HB ILE 34 -4.102 -4.640 6.068 294 1HG1 ILE 34 2HG1 ILE 34 -5.416 -3.518 7.729 295 2HG1 ILE 34 1HG1 ILE 34 -3.938 -2.606 7.455 296 1HG2 ILE 34 1HG2 ILE 34 -3.381 -3.558 3.949 297 2HG2 ILE 34 2HG2 ILE 34 -4.118 -2.042 4.453 298 3HG2 ILE 34 3HG2 ILE 34 -2.734 -2.704 5.358 299 1HD1 ILE 34 3HD1 ILE 34 -5.228 -0.955 6.075 300 2HD1 ILE 34 2HD1 ILE 34 -6.714 -1.875 6.415 301 3HD1 ILE 34 1HD1 ILE 34 -5.823 -1.104 7.732 302 H SER 35 H SER 35 -7.003 -4.244 2.742 303 HA SER 35 HA SER 35 -6.439 -6.970 2.088 304 1HB SER 35 1HB SER 35 -7.514 -5.055 0.047 305 2HB SER 35 2HB SER 35 -8.098 -6.649 0.526 306 HG SER 35 HG SER 35 -8.657 -5.343 2.614 307 H GLU 36 H GLU 36 -5.068 -3.828 1.045 308 HA GLU 36 HA GLU 36 -3.087 -5.262 -0.657 309 1HB GLU 36 2HB GLU 36 -5.052 -3.109 -1.518 310 2HB GLU 36 1HB GLU 36 -3.484 -3.268 -2.323 311 1HG GLU 36 2HG GLU 36 -3.941 -5.514 -3.001 312 2HG GLU 36 1HG GLU 36 -5.434 -5.583 -2.047 313 NH1 ARG 37 NH2 ARG 37 -2.067 -5.955 4.053 314 NH2 ARG 37 NH1 ARG 37 -1.252 -5.088 6.047 315 H ARG 37 H ARG 37 -1.414 -3.622 -1.417 316 HA ARG 37 HA ARG 37 -0.909 -1.398 0.407 317 1HB ARG 37 1HB ARG 37 0.894 -3.879 0.244 318 2HB ARG 37 2HB ARG 37 1.537 -2.278 0.575 319 1HG ARG 37 2HG ARG 37 1.279 -2.838 2.697 320 2HG ARG 37 1HG ARG 37 -0.291 -2.152 2.419 321 1HD ARG 37 2HD ARG 37 -1.222 -4.426 2.133 322 2HD ARG 37 1HD ARG 37 0.401 -5.139 2.221 323 HE ARG 37 HE ARG 37 0.310 -3.837 4.580 324 1HH1 ARG 37 2HH2 ARG 37 -1.972 -6.061 3.057 325 2HH1 ARG 37 1HH2 ARG 37 -2.908 -6.319 4.491 326 1HH2 ARG 37 2HH1 ARG 37 -0.600 -4.468 6.542 327 2HH2 ARG 37 1HH1 ARG 37 -1.904 -5.633 6.586 328 H GLY 38 H GLY 38 1.033 -0.217 -0.338 329 1HA GLY 38 1HA GLY 38 2.147 -0.874 -2.871 330 2HA GLY 38 2HA GLY 38 0.877 0.289 -3.176 331 H CYS 39 H CYS 39 2.808 1.420 -4.045 332 HA CYS 39 HA CYS 39 4.649 2.713 -2.087 333 1HB CYS 39 2HB CYS 39 5.857 1.195 -3.461 334 2HB CYS 39 1HB CYS 39 4.968 1.676 -4.916 335 H GLY 40 H GLY 40 5.297 4.941 -2.636 336 1HA GLY 40 1HA GLY 40 4.828 7.079 -3.010 337 2HA GLY 40 2HA GLY 40 4.615 6.585 -4.655 338 H CYS 41 H CYS 41 3.118 6.756 -1.860 339 HA CYS 41 HA CYS 41 0.505 6.395 -1.640 340 1HB CYS 41 2HB CYS 41 1.546 7.613 0.067 341 2HB CYS 41 1HB CYS 41 1.861 9.004 -0.962 342 HA PRO 42 HA PRO 42 -1.427 8.727 -5.091 343 1HB PRO 42 2HB PRO 42 -2.719 6.738 -6.359 344 2HB PRO 42 1HB PRO 42 -0.942 6.828 -6.421 345 1HG PRO 42 1HG PRO 42 -2.666 5.118 -4.596 346 2HG PRO 42 2HG PRO 42 -1.247 4.606 -5.552 347 1HD PRO 42 2HD PRO 42 -1.220 5.403 -2.852 348 2HD PRO 42 1HD PRO 42 0.216 5.425 -3.937 349 H THR 43 H THR 43 -3.971 8.527 -5.722 350 HA THR 43 HA THR 43 -5.443 8.914 -3.263 351 HB THR 43 HB THR 43 -7.309 9.022 -5.274 352 HG1 THR 43 HG1 THR 43 -5.860 8.452 -6.897 353 1HG2 THR 43 2HG2 THR 43 -5.227 11.114 -4.556 354 2HG2 THR 43 3HG2 THR 43 -6.786 11.427 -5.367 355 3HG2 THR 43 1HG2 THR 43 -6.759 10.800 -3.707 356 H ALA 44 H ALA 44 -7.295 7.886 -2.633 357 HA ALA 44 HA ALA 44 -7.288 4.978 -2.905 358 1HB ALA 44 3HB ALA 44 -7.811 6.082 -0.759 359 2HB ALA 44 1HB ALA 44 -9.256 6.821 -1.482 360 3HB ALA 44 2HB ALA 44 -9.135 5.054 -1.342 361 H MET 45 H MET 45 -7.673 4.742 -5.189 362 HA MET 45 HA MET 45 -9.946 5.755 -6.549 363 1HB MET 45 1HB MET 45 -8.318 3.204 -6.972 364 2HB MET 45 2HB MET 45 -9.469 3.885 -8.130 365 1HG MET 45 2HG MET 45 -8.138 5.971 -8.248 366 2HG MET 45 1HG MET 45 -6.951 5.273 -7.136 367 1HE MET 45 2HE MET 45 -6.076 6.574 -9.804 368 2HE MET 45 1HE MET 45 -4.954 5.766 -8.678 369 3HE MET 45 3HE MET 45 -4.920 5.365 -10.411 370 CH2 TRP 46 CH2 TRP 46 -18.507 0.969 -8.763 371 H TRP 46 H TRP 46 -11.916 4.647 -7.173 372 HA TRP 46 HA TRP 46 -13.223 3.322 -4.990 373 1HB TRP 46 1HB TRP 46 -14.321 4.779 -6.818 374 2HB TRP 46 2HB TRP 46 -13.987 3.485 -7.921 375 HD1 TRP 46 HD1 TRP 46 -15.859 3.661 -4.492 376 HE1 TRP 46 HE1 TRP 46 -18.090 2.368 -4.753 377 HE3 TRP 46 HE3 TRP 46 -15.486 2.482 -9.374 378 HZ2 TRP 46 HZ2 TRP 46 -19.505 0.989 -6.844 379 HZ3 TRP 46 HZ3 TRP 46 -17.291 1.158 -10.538 380 HH2 TRP 46 HH2 TRP 46 -19.289 0.413 -9.259 381 HA PRO 47 HA PRO 47 -14.464 1.682 -4.301 382 1HB PRO 47 1HB PRO 47 -15.341 -0.732 -3.660 383 2HB PRO 47 2HB PRO 47 -15.673 -0.105 -5.296 384 1HG PRO 47 2HG PRO 47 -13.415 -1.968 -4.476 385 2HG PRO 47 1HG PRO 47 -14.591 -2.197 -5.801 386 1HD PRO 47 1HD PRO 47 -12.067 -1.042 -6.131 387 2HD PRO 47 2HD PRO 47 -13.467 -0.676 -7.173 388 OH TYR 48 OH TYR 48 -8.602 -3.708 -5.426 389 H TYR 48 H TYR 48 -11.687 2.037 -3.794 390 HA TYR 48 HA TYR 48 -11.244 0.404 -1.326 391 1HB TYR 48 1HB TYR 48 -9.267 1.900 -3.076 392 2HB TYR 48 2HB TYR 48 -8.915 1.050 -1.589 393 HD1 TYR 48 HD2 TYR 48 -9.131 -1.472 -1.495 394 HD2 TYR 48 HD1 TYR 48 -9.629 0.705 -5.182 395 HE1 TYR 48 HE2 TYR 48 -8.666 -3.538 -2.776 396 HE2 TYR 48 HE1 TYR 48 -9.225 -1.379 -6.460 397 HH TYR 48 HH TYR 48 -8.071 -4.342 -4.928 398 H GLN 49 H GLN 49 -10.183 1.414 0.354 399 HA GLN 49 HA GLN 49 -10.210 4.363 0.525 400 1HB GLN 49 2HB GLN 49 -11.109 2.383 2.506 401 2HB GLN 49 1HB GLN 49 -10.082 3.736 3.033 402 1HG GLN 49 2HG GLN 49 -11.656 5.346 2.023 403 2HG GLN 49 1HG GLN 49 -12.768 4.022 1.686 404 1HE2 GLN 49 2HE2 GLN 49 -13.750 3.767 5.164 405 2HE2 GLN 49 1HE2 GLN 49 -13.798 2.905 3.644 406 H THR 50 H THR 50 -8.173 5.018 1.542 407 HA THR 50 HA THR 50 -6.109 2.947 1.894 408 HB THR 50 HB THR 50 -5.755 5.266 -0.025 409 HG1 THR 50 HG1 THR 50 -6.805 2.702 -0.384 410 1HG2 THR 50 3HG2 THR 50 -4.103 2.778 0.391 411 2HG2 THR 50 2HG2 THR 50 -3.864 3.966 -0.908 412 3HG2 THR 50 1HG2 THR 50 -3.649 4.461 0.776 413 H GLU 51 H GLU 51 -4.268 3.736 2.889 414 HA GLU 51 HA GLU 51 -4.332 6.450 4.018 415 1HB GLU 51 1HB GLU 51 -4.043 5.749 6.322 416 2HB GLU 51 2HB GLU 51 -5.580 5.200 5.643 417 1HG GLU 51 2HG GLU 51 -4.335 3.013 5.114 418 2HG GLU 51 1HG GLU 51 -3.112 3.581 6.278 419 H CYS 52 H CYS 52 -2.301 7.288 4.136 420 HA CYS 52 HA CYS 52 -0.180 5.655 2.880 421 1HB CYS 52 1HB CYS 52 -0.787 8.603 2.950 422 2HB CYS 52 2HB CYS 52 0.650 7.889 2.230 423 H CYS 53 H CYS 53 2.052 6.330 3.336 424 HA CYS 53 HA CYS 53 2.691 7.660 5.825 425 1HB CYS 53 1HB CYS 53 3.715 5.734 6.948 426 2HB CYS 53 2HB CYS 53 1.987 5.465 6.714 427 H LYS 54 H LYS 54 5.267 7.129 6.199 428 HA LYS 54 HA LYS 54 6.664 6.719 3.688 429 1HB LYS 54 2HB LYS 54 8.111 8.667 4.547 430 2HB LYS 54 1HB LYS 54 6.648 9.089 3.643 431 1HG LYS 54 2HG LYS 54 5.480 9.602 5.743 432 2HG LYS 54 1HG LYS 54 6.891 9.070 6.689 433 1HD LYS 54 1HD LYS 54 8.259 10.854 5.611 434 2HD LYS 54 2HD LYS 54 6.834 11.408 4.716 435 1HE LYS 54 2HE LYS 54 7.125 11.346 7.764 436 2HE LYS 54 1HE LYS 54 7.295 12.781 6.740 437 1HZ LYS 54 2HZ LYS 54 5.021 12.492 6.057 438 2HZ LYS 54 3HZ LYS 54 4.853 11.183 7.045 439 3HZ LYS 54 1HZ LYS 54 5.137 12.670 7.690 440 H GLY 55 H GLY 55 8.751 5.901 4.081 441 1HA GLY 55 2HA GLY 55 10.563 5.498 5.676 442 2HA GLY 55 1HA GLY 55 9.381 5.157 6.941 443 H ASP 56 H ASP 56 11.445 3.363 6.333 444 HA ASP 56 HA ASP 56 10.891 1.409 4.377 445 1HB ASP 56 1HB ASP 56 12.378 -0.016 5.782 446 2HB ASP 56 2HB ASP 56 13.093 1.533 5.357 447 NH1 ARG 57 NH1 ARG 57 12.506 -4.467 8.538 448 NH2 ARG 57 NH2 ARG 57 12.986 -2.246 9.004 449 H ARG 57 H ARG 57 9.375 -0.168 4.307 450 HA ARG 57 HA ARG 57 7.466 -1.260 4.802 451 1HB ARG 57 1HB ARG 57 8.963 -1.810 7.379 452 2HB ARG 57 2HB ARG 57 7.805 -2.792 6.476 453 1HG ARG 57 2HG ARG 57 9.275 -3.475 4.853 454 2HG ARG 57 1HG ARG 57 10.386 -2.123 5.106 455 1HD ARG 57 2HD ARG 57 9.967 -4.297 7.166 456 2HD ARG 57 1HD ARG 57 11.277 -4.268 5.959 457 HE ARG 57 HE ARG 57 11.248 -1.769 7.307 458 1HH1 ARG 57 2HH1 ARG 57 11.973 -5.146 8.016 459 2HH1 ARG 57 1HH1 ARG 57 13.181 -4.778 9.220 460 1HH2 ARG 57 2HH2 ARG 57 12.838 -1.257 8.802 461 2HH2 ARG 57 1HH2 ARG 57 13.665 -2.506 9.702 462 H CYS 58 H CYS 58 7.377 1.662 5.749 463 HA CYS 58 HA CYS 58 6.125 1.770 8.263 464 1HB CYS 58 1HB CYS 58 5.348 3.921 7.593 465 2HB CYS 58 2HB CYS 58 6.967 3.683 6.938 466 H ASN 59 H ASN 59 4.833 0.933 5.085 467 HA ASN 59 HA ASN 59 2.022 1.057 5.901 468 1HB ASN 59 2HB ASN 59 1.633 0.315 3.607 469 2HB ASN 59 1HB ASN 59 2.654 1.754 3.654 470 1HD2 ASN 59 2HD2 ASN 59 3.996 -0.664 1.112 471 2HD2 ASN 59 1HD2 ASN 59 2.589 0.334 1.376 472 H LYS 60 H LYS 60 3.024 -0.543 7.694 473 HA LYS 60 HA LYS 60 2.804 -3.378 6.817 474 1HB LYS 60 2HB LYS 60 3.438 -3.813 9.222 475 2HB LYS 60 1HB LYS 60 4.672 -3.080 8.191 476 1HG LYS 60 1HG LYS 60 4.365 -0.904 9.176 477 2HG LYS 60 2HG LYS 60 2.981 -1.477 10.132 478 1HD LYS 60 2HD LYS 60 4.465 -3.024 11.358 479 2HD LYS 60 1HD LYS 60 5.826 -2.569 10.316 480 1HE LYS 60 1HE LYS 60 5.978 -1.403 12.473 481 2HE LYS 60 2HE LYS 60 5.738 -0.248 11.151 482 1HZ LYS 60 1HZ LYS 60 3.630 -1.248 12.940 483 2HZ LYS 60 3HZ LYS 60 4.359 0.227 13.045 484 3HZ LYS 60 2HZ LYS 60 3.431 -0.141 11.736 Start of MODEL 5 Raw file had 484 H/Q atoms Start of MODEL 5 1 NH1 ARG 1 NH1 ARG 1 12.245 4.904 4.329 2 NH2 ARG 1 NH2 ARG 1 10.920 6.795 4.452 3 1H ARG 1 1H ARG 1 13.624 3.503 -1.466 4 2H ARG 1 3H ARG 1 14.294 4.160 -0.104 5 3H ARG 1 2H ARG 1 14.532 2.559 -0.462 6 HA ARG 1 HA ARG 1 12.915 2.752 1.258 7 1HB ARG 1 1HB ARG 1 12.133 5.006 0.783 8 2HB ARG 1 2HB ARG 1 11.539 4.494 -0.790 9 1HG ARG 1 2HG ARG 1 9.629 4.703 0.572 10 2HG ARG 1 1HG ARG 1 9.881 2.972 0.430 11 1HD ARG 1 2HD ARG 1 9.398 3.297 2.692 12 2HD ARG 1 1HD ARG 1 11.149 3.170 2.707 13 HE ARG 1 HE ARG 1 9.573 5.736 2.707 14 1HH1 ARG 1 1HH1 ARG 1 12.468 3.983 3.961 15 2HH1 ARG 1 2HH1 ARG 1 12.871 5.298 5.015 16 1HH2 ARG 1 2HH2 ARG 1 10.086 7.303 4.168 17 2HH2 ARG 1 1HH2 ARG 1 11.520 7.192 5.159 18 H ILE 2 H ILE 2 12.674 0.544 1.093 19 HA ILE 2 HA ILE 2 11.418 -0.679 -1.286 20 HB ILE 2 HB ILE 2 13.395 -1.489 0.589 21 1HG1 ILE 2 1HG1 ILE 2 13.195 -2.036 -1.824 22 2HG1 ILE 2 2HG1 ILE 2 13.647 -3.387 -0.785 23 1HG2 ILE 2 1HG2 ILE 2 10.891 -3.193 1.004 24 2HG2 ILE 2 3HG2 ILE 2 12.544 -3.621 1.470 25 3HG2 ILE 2 2HG2 ILE 2 11.758 -2.230 2.218 26 1HD1 ILE 2 3HD1 ILE 2 10.775 -2.916 -1.691 27 2HD1 ILE 2 2HD1 ILE 2 11.927 -3.960 -2.538 28 3HD1 ILE 2 1HD1 ILE 2 11.433 -4.349 -0.884 29 H CYS 3 H CYS 3 9.224 -1.429 -1.247 30 HA CYS 3 HA CYS 3 7.861 -1.552 1.356 31 1HB CYS 3 1HB CYS 3 7.425 0.671 -0.600 32 2HB CYS 3 2HB CYS 3 5.996 -0.041 0.144 33 OH TYR 4 OH TYR 4 6.793 -6.952 5.243 34 H TYR 4 H TYR 4 5.457 -2.105 0.951 35 HA TYR 4 HA TYR 4 5.591 -4.582 -0.638 36 1HB TYR 4 2HB TYR 4 3.651 -3.382 1.394 37 2HB TYR 4 1HB TYR 4 3.365 -4.905 0.659 38 HD1 TYR 4 HD2 TYR 4 6.889 -4.980 1.154 39 HD2 TYR 4 HD1 TYR 4 3.144 -5.126 3.285 40 HE1 TYR 4 HE2 TYR 4 7.979 -6.165 3.010 41 HE2 TYR 4 HE1 TYR 4 4.230 -6.361 5.115 42 HH TYR 4 HH TYR 4 6.167 -7.109 5.955 43 H SER 5 H SER 5 3.788 -5.221 -1.996 44 HA SER 5 HA SER 5 2.583 -2.942 -3.504 45 1HB SER 5 2HB SER 5 3.229 -3.924 -5.603 46 2HB SER 5 1HB SER 5 4.672 -3.613 -4.622 47 HG SER 5 HG SER 5 4.589 -5.898 -4.040 48 H HIS 6 H HIS 6 2.644 -6.517 -3.914 49 HA HIS 6 HA HIS 6 -0.102 -6.638 -4.582 50 1HB HIS 6 1HB HIS 6 0.290 -8.807 -5.001 51 2HB HIS 6 2HB HIS 6 1.970 -8.438 -4.670 52 HD1 HIS 6 HD1 HIS 6 -0.933 -9.568 -2.266 53 HD2 HIS 6 HD2 HIS 6 3.021 -10.359 -3.343 54 HE1 HIS 6 HE1 HIS 6 -0.218 -11.592 -0.981 55 H LYS 7 H LYS 7 -2.015 -7.262 -3.360 56 HA LYS 7 HA LYS 7 -2.237 -5.982 -0.879 57 1HB LYS 7 2HB LYS 7 -4.340 -7.290 -0.616 58 2HB LYS 7 1HB LYS 7 -4.196 -6.416 -2.125 59 1HG LYS 7 2HG LYS 7 -4.407 -8.234 -3.381 60 2HG LYS 7 1HG LYS 7 -3.218 -9.172 -2.473 61 1HD LYS 7 1HD LYS 7 -6.078 -8.702 -1.538 62 2HD LYS 7 2HD LYS 7 -5.558 -10.112 -2.468 63 1HE LYS 7 2HE LYS 7 -3.943 -10.731 -0.689 64 2HE LYS 7 1HE LYS 7 -4.438 -9.334 0.274 65 1HZ LYS 7 2HZ LYS 7 -6.188 -11.541 -0.530 66 2HZ LYS 7 3HZ LYS 7 -5.545 -11.303 0.969 67 3HZ LYS 7 1HZ LYS 7 -6.638 -10.230 0.361 68 H ALA 8 H ALA 8 -1.372 -6.457 1.067 69 HA ALA 8 HA ALA 8 -0.348 -7.554 2.760 70 1HB ALA 8 2HB ALA 8 -2.555 -8.699 2.915 71 2HB ALA 8 1HB ALA 8 -1.937 -10.005 1.878 72 3HB ALA 8 3HB ALA 8 -1.200 -9.704 3.458 73 H SER 9 H SER 9 1.124 -7.271 0.382 74 HA SER 9 HA SER 9 2.459 -9.753 -0.216 75 1HB SER 9 2HB SER 9 4.169 -8.153 -1.322 76 2HB SER 9 1HB SER 9 2.547 -8.139 -1.967 77 HG SER 9 HG SER 9 2.084 -6.301 -0.997 78 H LEU 10 H LEU 10 4.668 -9.968 -0.231 79 HA LEU 10 HA LEU 10 6.664 -8.925 1.282 80 1HB LEU 10 1HB LEU 10 5.631 -9.482 3.325 81 2HB LEU 10 2HB LEU 10 5.271 -11.122 2.876 82 HG LEU 10 HG LEU 10 7.156 -10.693 4.497 83 1HD1 LEU 10 3HD1 LEU 10 7.033 -12.858 3.359 84 2HD1 LEU 10 1HD1 LEU 10 8.070 -12.246 2.047 85 3HD1 LEU 10 2HD1 LEU 10 8.696 -12.365 3.693 86 1HD2 LEU 10 3HD2 LEU 10 8.121 -8.704 3.358 87 2HD2 LEU 10 1HD2 LEU 10 9.325 -9.946 3.747 88 3HD2 LEU 10 2HD2 LEU 10 8.762 -9.763 2.083 89 HA PRO 11 HA PRO 11 7.709 -12.847 -1.158 90 1HB PRO 11 1HB PRO 11 5.931 -14.843 -1.621 91 2HB PRO 11 2HB PRO 11 6.714 -14.677 -0.023 92 1HG PRO 11 2HG PRO 11 3.988 -13.603 -0.850 93 2HG PRO 11 1HG PRO 11 4.363 -14.647 0.554 94 1HD PRO 11 2HD PRO 11 4.210 -11.937 0.800 95 2HD PRO 11 1HD PRO 11 5.448 -12.878 1.683 96 NH1 ARG 12 NH1 ARG 12 -0.461 -11.583 -5.856 97 NH2 ARG 12 NH2 ARG 12 -0.562 -13.146 -4.149 98 H ARG 12 H ARG 12 6.911 -13.775 -3.415 99 HA ARG 12 HA ARG 12 6.226 -13.436 -5.522 100 1HB ARG 12 2HB ARG 12 4.014 -13.835 -4.448 101 2HB ARG 12 1HB ARG 12 3.812 -12.102 -4.280 102 1HG ARG 12 2HG ARG 12 4.314 -12.200 -6.961 103 2HG ARG 12 1HG ARG 12 3.663 -13.824 -6.719 104 1HD ARG 12 1HD ARG 12 2.359 -11.146 -6.074 105 2HD ARG 12 2HD ARG 12 1.860 -12.322 -7.310 106 HE ARG 12 HE ARG 12 1.823 -13.573 -4.747 107 1HH1 ARG 12 2HH1 ARG 12 0.070 -11.127 -6.583 108 2HH1 ARG 12 1HH1 ARG 12 -1.429 -11.338 -5.718 109 1HH2 ARG 12 2HH2 ARG 12 -0.097 -13.830 -3.569 110 2HH2 ARG 12 1HH2 ARG 12 -1.533 -12.931 -3.980 111 H ALA 13 H ALA 13 4.978 -10.347 -4.176 112 HA ALA 13 HA ALA 13 6.937 -8.902 -5.902 113 1HB ALA 13 3HB ALA 13 4.945 -9.222 -7.302 114 2HB ALA 13 1HB ALA 13 3.926 -8.491 -6.042 115 3HB ALA 13 2HB ALA 13 5.158 -7.514 -6.866 116 H THR 14 H THR 14 7.724 -7.154 -5.027 117 HA THR 14 HA THR 14 6.379 -5.500 -3.048 118 HB THR 14 HB THR 14 8.514 -5.405 -1.704 119 HG1 THR 14 HG1 THR 14 9.067 -7.847 -3.046 120 1HG2 THR 14 3HG2 THR 14 6.541 -6.723 -0.895 121 2HG2 THR 14 1HG2 THR 14 7.182 -8.159 -1.711 122 3HG2 THR 14 2HG2 THR 14 8.088 -7.421 -0.380 123 H LYS 15 H LYS 15 7.893 -3.344 -3.054 124 HA LYS 15 HA LYS 15 9.398 -3.215 -5.618 125 1HB LYS 15 2HB LYS 15 8.131 -1.420 -6.525 126 2HB LYS 15 1HB LYS 15 7.050 -2.785 -6.218 127 1HG LYS 15 2HG LYS 15 6.416 -1.593 -4.014 128 2HG LYS 15 1HG LYS 15 7.270 -0.186 -4.647 129 1HD LYS 15 2HD LYS 15 4.831 -1.595 -5.829 130 2HD LYS 15 1HD LYS 15 4.894 0.026 -5.148 131 1HE LYS 15 2HE LYS 15 6.185 -0.929 -7.750 132 2HE LYS 15 1HE LYS 15 4.772 0.114 -7.587 133 1HZ LYS 15 3HZ LYS 15 7.473 0.803 -6.674 134 2HZ LYS 15 1HZ LYS 15 6.762 1.338 -8.058 135 3HZ LYS 15 2HZ LYS 15 6.142 1.774 -6.598 136 H THR 16 H THR 16 10.873 -1.694 -5.818 137 HA THR 16 HA THR 16 11.705 -0.254 -3.381 138 HB THR 16 HB THR 16 13.220 -0.794 -5.964 139 HG1 THR 16 HG1 THR 16 14.071 -2.565 -4.839 140 1HG2 THR 16 2HG2 THR 16 14.148 -0.090 -3.133 141 2HG2 THR 16 1HG2 THR 16 15.211 -0.455 -4.506 142 3HG2 THR 16 3HG2 THR 16 14.197 0.995 -4.541 143 H CYS 17 H CYS 17 11.726 1.958 -3.316 144 HA CYS 17 HA CYS 17 11.596 3.576 -5.785 145 1HB CYS 17 1HB CYS 17 9.460 3.325 -3.680 146 2HB CYS 17 2HB CYS 17 9.707 4.865 -4.564 147 H VAL 18 H VAL 18 11.457 5.989 -4.874 148 HA VAL 18 HA VAL 18 13.660 6.321 -2.880 149 HB VAL 18 HB VAL 18 12.751 8.020 -5.206 150 1HG1 VAL 18 1HG2 VAL 18 15.292 8.114 -3.509 151 2HG1 VAL 18 3HG2 VAL 18 15.138 8.951 -5.065 152 3HG1 VAL 18 2HG2 VAL 18 14.098 9.415 -3.734 153 1HG2 VAL 18 1HG1 VAL 18 15.016 5.970 -5.093 154 2HG2 VAL 18 3HG1 VAL 18 13.582 5.899 -6.141 155 3HG2 VAL 18 2HG1 VAL 18 14.797 7.138 -6.411 156 H GLU 19 H GLU 19 10.356 6.631 -2.906 157 HA GLU 19 HA GLU 19 9.870 9.374 -2.260 158 1HB GLU 19 1HB GLU 19 8.076 7.390 -1.090 159 2HB GLU 19 2HB GLU 19 7.654 8.646 -2.255 160 1HG GLU 19 2HG GLU 19 7.095 6.722 -3.352 161 2HG GLU 19 1HG GLU 19 8.723 6.824 -3.926 162 H ASN 20 H ASN 20 8.980 9.987 -0.168 163 HA ASN 20 HA ASN 20 10.449 8.861 2.122 164 1HB ASN 20 1HB ASN 20 10.229 11.299 1.971 165 2HB ASN 20 2HB ASN 20 8.466 11.158 1.857 166 1HD2 ASN 20 2HD2 ASN 20 10.242 10.389 5.518 167 2HD2 ASN 20 1HD2 ASN 20 11.159 10.068 4.055 168 H THR 21 H THR 21 7.238 8.551 0.571 169 HA THR 21 HA THR 21 6.285 7.070 2.955 170 HB THR 21 HB THR 21 4.026 7.989 2.082 171 HG1 THR 21 HG1 THR 21 5.643 10.096 1.152 172 1HG2 THR 21 1HG2 THR 21 6.016 9.872 3.439 173 2HG2 THR 21 3HG2 THR 21 4.253 10.089 3.403 174 3HG2 THR 21 2HG2 THR 21 4.954 8.696 4.241 175 H CYS 22 H CYS 22 4.769 5.471 2.560 176 HA CYS 22 HA CYS 22 4.433 4.430 -0.194 177 1HB CYS 22 1HB CYS 22 4.723 2.655 2.252 178 2HB CYS 22 2HB CYS 22 4.726 2.189 0.574 179 OH TYR 23 OH TYR 23 -0.381 2.058 -5.097 180 H TYR 23 H TYR 23 2.516 2.637 0.195 181 HA TYR 23 HA TYR 23 0.611 3.604 2.234 182 1HB TYR 23 1HB TYR 23 -1.105 4.145 0.618 183 2HB TYR 23 2HB TYR 23 0.341 5.046 0.236 184 HD1 TYR 23 HD1 TYR 23 1.716 4.393 -1.821 185 HD2 TYR 23 HD2 TYR 23 -1.972 2.382 -0.850 186 HE1 TYR 23 HE1 TYR 23 1.475 3.659 -4.175 187 HE2 TYR 23 HE2 TYR 23 -2.100 1.498 -3.149 188 HH TYR 23 HH TYR 23 -1.054 1.380 -5.241 189 H LYS 24 H LYS 24 -1.392 2.526 2.070 190 HA LYS 24 HA LYS 24 -1.443 -0.122 0.794 191 1HB LYS 24 1HB LYS 24 -2.273 -1.252 2.794 192 2HB LYS 24 2HB LYS 24 -0.678 -0.545 3.088 193 1HG LYS 24 2HG LYS 24 -1.915 1.453 4.129 194 2HG LYS 24 1HG LYS 24 -3.381 0.458 4.035 195 1HD LYS 24 2HD LYS 24 -2.537 0.207 6.244 196 2HD LYS 24 1HD LYS 24 -2.171 -1.311 5.411 197 1HE LYS 24 1HE LYS 24 0.141 -0.667 5.124 198 2HE LYS 24 2HE LYS 24 -0.178 0.994 5.687 199 1HZ LYS 24 1HZ LYS 24 -0.765 -0.021 7.829 200 2HZ LYS 24 2HZ LYS 24 -0.264 -1.487 7.239 201 3HZ LYS 24 3HZ LYS 24 0.809 -0.256 7.391 202 H MET 25 H MET 25 -3.378 -0.505 -0.095 203 HA MET 25 HA MET 25 -5.575 1.475 0.300 204 1HB MET 25 2HB MET 25 -4.342 1.756 -1.830 205 2HB MET 25 1HB MET 25 -4.845 0.106 -2.223 206 1HG MET 25 2HG MET 25 -7.229 0.794 -2.096 207 2HG MET 25 1HG MET 25 -6.731 2.399 -1.566 208 1HE MET 25 1HE MET 25 -7.237 -0.059 -4.433 209 2HE MET 25 2HE MET 25 -6.554 0.767 -5.849 210 3HE MET 25 3HE MET 25 -5.473 0.097 -4.612 211 H PHE 26 H PHE 26 -7.577 0.702 0.624 212 HA PHE 26 HA PHE 26 -8.188 -2.198 0.414 213 1HB PHE 26 1HB PHE 26 -9.388 -1.917 2.614 214 2HB PHE 26 2HB PHE 26 -7.634 -1.891 2.701 215 HD1 PHE 26 HD1 PHE 26 -6.393 0.319 3.007 216 HD2 PHE 26 HD2 PHE 26 -10.679 0.022 3.370 217 HE1 PHE 26 HE1 PHE 26 -6.455 2.421 4.303 218 HE2 PHE 26 HE2 PHE 26 -10.675 1.900 4.958 219 HZ PHE 26 HZ PHE 26 -8.559 3.141 5.412 220 H ILE 27 H ILE 27 -10.630 -2.505 0.490 221 HA ILE 27 HA ILE 27 -11.825 -0.582 -1.359 222 HB ILE 27 HB ILE 27 -13.066 -2.946 0.083 223 1HG1 ILE 27 1HG1 ILE 27 -11.905 -2.684 -2.729 224 2HG1 ILE 27 2HG1 ILE 27 -11.201 -3.569 -1.371 225 1HG2 ILE 27 2HG2 ILE 27 -14.752 -1.268 -0.749 226 2HG2 ILE 27 1HG2 ILE 27 -14.044 -1.402 -2.368 227 3HG2 ILE 27 3HG2 ILE 27 -14.858 -2.786 -1.614 228 1HD1 ILE 27 2HD1 ILE 27 -13.168 -5.093 -1.336 229 2HD1 ILE 27 1HD1 ILE 27 -13.764 -4.302 -2.818 230 3HD1 ILE 27 3HD1 ILE 27 -12.220 -5.158 -2.832 231 NH1 ARG 28 NH2 ARG 28 -15.259 7.415 -1.920 232 NH2 ARG 28 NH1 ARG 28 -13.147 6.735 -2.608 233 H ARG 28 H ARG 28 -13.481 0.893 -0.867 234 HA ARG 28 HA ARG 28 -13.211 2.141 1.666 235 1HB ARG 28 2HB ARG 28 -13.915 3.092 -0.610 236 2HB ARG 28 1HB ARG 28 -15.545 2.523 -0.285 237 1HG ARG 28 2HG ARG 28 -15.690 3.968 1.699 238 2HG ARG 28 1HG ARG 28 -13.989 4.434 1.528 239 1HD ARG 28 2HD ARG 28 -16.182 5.026 -0.506 240 2HD ARG 28 1HD ARG 28 -15.497 6.180 0.661 241 HE ARG 28 HE ARG 28 -13.342 5.084 -0.814 242 1HH1 ARG 28 2HH2 ARG 28 -16.040 7.305 -1.291 243 2HH1 ARG 28 1HH2 ARG 28 -15.258 8.171 -2.588 244 1HH2 ARG 28 2HH1 ARG 28 -12.365 6.086 -2.507 245 2HH2 ARG 28 1HH1 ARG 28 -13.081 7.472 -3.293 246 H THR 29 H THR 29 -15.923 0.317 0.321 247 HA THR 29 HA THR 29 -17.465 0.272 2.775 248 HB THR 29 HB THR 29 -18.678 -1.558 1.394 249 HG1 THR 29 HG1 THR 29 -18.011 -1.620 -0.789 250 1HG2 THR 29 3HG2 THR 29 -19.423 0.811 1.423 251 2HG2 THR 29 1HG2 THR 29 -18.281 1.194 0.117 252 3HG2 THR 29 2HG2 THR 29 -19.638 0.089 -0.182 253 H HIS 30 H HIS 30 -15.763 -2.208 0.919 254 HA HIS 30 HA HIS 30 -15.767 -4.093 3.213 255 1HB HIS 30 1HB HIS 30 -14.678 -4.428 0.395 256 2HB HIS 30 2HB HIS 30 -14.807 -5.686 1.625 257 HD1 HIS 30 HD1 HIS 30 -17.391 -6.230 2.414 258 HD2 HIS 30 HD2 HIS 30 -16.955 -3.995 -1.106 259 HE1 HIS 30 HE1 HIS 30 -19.628 -6.263 1.211 260 NH1 ARG 31 NH2 ARG 31 -13.496 2.367 5.238 261 NH2 ARG 31 NH1 ARG 31 -12.188 3.048 6.987 262 H ARG 31 H ARG 31 -14.509 -2.107 4.177 263 HA ARG 31 HA ARG 31 -11.763 -1.830 3.596 264 1HB ARG 31 2HB ARG 31 -11.713 -0.616 5.753 265 2HB ARG 31 1HB ARG 31 -13.058 -0.178 4.701 266 1HG ARG 31 1HG ARG 31 -14.401 -1.965 6.206 267 2HG ARG 31 2HG ARG 31 -13.103 -1.608 7.349 268 1HD ARG 31 2HD ARG 31 -15.024 0.372 6.020 269 2HD ARG 31 1HD ARG 31 -15.042 -0.143 7.700 270 HE ARG 31 HE ARG 31 -13.081 1.061 8.178 271 1HH1 ARG 31 2HH2 ARG 31 -14.146 1.738 4.776 272 2HH1 ARG 31 1HH2 ARG 31 -13.123 3.153 4.716 273 1HH2 ARG 31 1HH1 ARG 31 -11.829 2.949 7.925 274 2HH2 ARG 31 2HH1 ARG 31 -11.877 3.806 6.389 275 H GLU 32 H GLU 32 -13.311 -4.387 5.403 276 HA GLU 32 HA GLU 32 -10.832 -5.237 6.684 277 1HB GLU 32 1HB GLU 32 -13.519 -6.638 6.278 278 2HB GLU 32 2HB GLU 32 -12.206 -7.154 7.340 279 1HG GLU 32 2HG GLU 32 -12.374 -4.976 8.570 280 2HG GLU 32 1HG GLU 32 -13.805 -4.565 7.613 281 OH TYR 33 OH TYR 33 -8.435 -8.986 -2.913 282 H TYR 33 H TYR 33 -10.422 -4.818 3.936 283 HA TYR 33 HA TYR 33 -9.304 -7.360 3.135 284 1HB TYR 33 1HB TYR 33 -11.557 -7.686 2.246 285 2HB TYR 33 2HB TYR 33 -11.537 -6.079 1.517 286 HD1 TYR 33 HD1 TYR 33 -9.825 -9.415 1.393 287 HD2 TYR 33 HD2 TYR 33 -10.648 -5.715 -0.651 288 HE1 TYR 33 HE1 TYR 33 -8.734 -10.297 -0.658 289 HE2 TYR 33 HE2 TYR 33 -9.589 -6.606 -2.703 290 HH TYR 33 HH TYR 33 -8.394 -8.348 -3.627 291 H ILE 34 H ILE 34 -7.355 -6.830 2.299 292 HA ILE 34 HA ILE 34 -6.738 -4.042 1.593 293 HB ILE 34 HB ILE 34 -5.016 -6.558 1.517 294 1HG1 ILE 34 2HG1 ILE 34 -5.676 -6.197 3.807 295 2HG1 ILE 34 1HG1 ILE 34 -3.992 -5.740 3.591 296 1HG2 ILE 34 2HG2 ILE 34 -4.272 -3.594 1.357 297 2HG2 ILE 34 3HG2 ILE 34 -3.135 -4.955 1.478 298 3HG2 ILE 34 1HG2 ILE 34 -4.151 -4.777 0.051 299 1HD1 ILE 34 3HD1 ILE 34 -4.663 -3.325 3.560 300 2HD1 ILE 34 1HD1 ILE 34 -6.353 -3.820 3.832 301 3HD1 ILE 34 2HD1 ILE 34 -5.119 -4.159 5.050 302 H SER 35 H SER 35 -6.654 -3.288 -0.474 303 HA SER 35 HA SER 35 -7.506 -5.033 -2.686 304 1HB SER 35 2HB SER 35 -7.065 -2.011 -2.488 305 2HB SER 35 1HB SER 35 -7.806 -2.900 -3.812 306 HG SER 35 HG SER 35 -9.294 -3.689 -2.067 307 H GLU 36 H GLU 36 -4.894 -2.711 -1.802 308 HA GLU 36 HA GLU 36 -2.914 -4.117 -3.424 309 1HB GLU 36 2HB GLU 36 -4.371 -2.647 -5.043 310 2HB GLU 36 1HB GLU 36 -3.702 -1.275 -4.155 311 1HG GLU 36 1HG GLU 36 -1.364 -2.262 -4.902 312 2HG GLU 36 2HG GLU 36 -2.326 -3.207 -6.034 313 NH1 ARG 37 NH2 ARG 37 0.573 -5.397 3.791 314 NH2 ARG 37 NH1 ARG 37 -1.353 -4.544 4.674 315 H ARG 37 H ARG 37 -0.749 -2.929 -3.142 316 HA ARG 37 HA ARG 37 -0.715 -0.777 -1.113 317 1HB ARG 37 2HB ARG 37 0.803 -3.419 -1.106 318 2HB ARG 37 1HB ARG 37 1.503 -1.944 -0.398 319 1HG ARG 37 1HG ARG 37 0.082 -1.773 1.282 320 2HG ARG 37 2HG ARG 37 -1.240 -2.575 0.426 321 1HD ARG 37 2HD ARG 37 0.041 -4.762 0.659 322 2HD ARG 37 1HD ARG 37 1.147 -3.869 1.734 323 HE ARG 37 HE ARG 37 -1.706 -3.615 2.379 324 1HH1 ARG 37 2HH2 ARG 37 1.238 -5.517 3.047 325 2HH1 ARG 37 1HH2 ARG 37 0.798 -5.668 4.753 326 1HH2 ARG 37 2HH1 ARG 37 -2.191 -3.989 4.632 327 2HH2 ARG 37 1HH1 ARG 37 -0.965 -4.825 5.581 328 H GLY 38 H GLY 38 1.449 0.350 -1.219 329 1HA GLY 38 1HA GLY 38 3.132 -0.168 -3.452 330 2HA GLY 38 2HA GLY 38 1.947 1.017 -3.993 331 H CYS 39 H CYS 39 3.944 2.147 -4.363 332 HA CYS 39 HA CYS 39 5.368 3.323 -2.062 333 1HB CYS 39 2HB CYS 39 7.172 2.791 -3.285 334 2HB CYS 39 1HB CYS 39 6.165 2.065 -4.494 335 H GLY 40 H GLY 40 5.626 5.681 -1.962 336 1HA GLY 40 1HA GLY 40 4.858 7.776 -2.017 337 2HA GLY 40 2HA GLY 40 4.850 7.641 -3.736 338 H CYS 41 H CYS 41 3.146 7.412 -1.085 339 HA CYS 41 HA CYS 41 0.611 6.385 -1.474 340 1HB CYS 41 1HB CYS 41 1.516 7.240 0.663 341 2HB CYS 41 2HB CYS 41 1.112 8.883 0.150 342 HA PRO 42 HA PRO 42 -1.126 9.477 -4.348 343 1HB PRO 42 1HB PRO 42 -2.582 7.864 -5.945 344 2HB PRO 42 2HB PRO 42 -0.800 7.838 -6.000 345 1HG PRO 42 1HG PRO 42 -2.653 5.964 -4.484 346 2HG PRO 42 2HG PRO 42 -1.298 5.512 -5.557 347 1HD PRO 42 2HD PRO 42 -1.109 5.724 -2.800 348 2HD PRO 42 1HD PRO 42 0.278 6.000 -3.907 349 H THR 43 H THR 43 -3.509 9.880 -4.983 350 HA THR 43 HA THR 43 -5.112 10.014 -2.628 351 HB THR 43 HB THR 43 -6.193 10.290 -5.439 352 HG1 THR 43 HG1 THR 43 -4.382 12.064 -4.151 353 1HG2 THR 43 2HG2 THR 43 -6.515 11.973 -2.906 354 2HG2 THR 43 1HG2 THR 43 -7.278 12.304 -4.473 355 3HG2 THR 43 3HG2 THR 43 -7.712 10.841 -3.578 356 H ALA 44 H ALA 44 -7.191 8.997 -2.295 357 HA ALA 44 HA ALA 44 -7.255 6.173 -3.065 358 1HB ALA 44 2HB ALA 44 -7.827 6.895 -0.767 359 2HB ALA 44 3HB ALA 44 -9.187 7.848 -1.403 360 3HB ALA 44 1HB ALA 44 -9.184 6.082 -1.579 361 H MET 45 H MET 45 -8.259 5.410 -4.846 362 HA MET 45 HA MET 45 -10.003 7.105 -6.449 363 1HB MET 45 2HB MET 45 -9.194 4.169 -6.696 364 2HB MET 45 1HB MET 45 -10.038 5.138 -7.914 365 1HG MET 45 2HG MET 45 -7.863 5.243 -8.683 366 2HG MET 45 1HG MET 45 -7.975 6.732 -7.752 367 1HE MET 45 3HE MET 45 -7.223 2.888 -6.992 368 2HE MET 45 2HE MET 45 -6.205 3.396 -8.363 369 3HE MET 45 1HE MET 45 -5.456 3.001 -6.801 370 CH2 TRP 46 CH2 TRP 46 -19.592 4.659 -8.388 371 H TRP 46 H TRP 46 -12.080 5.803 -7.288 372 HA TRP 46 HA TRP 46 -13.682 5.179 -4.869 373 1HB TRP 46 1HB TRP 46 -14.441 6.998 -6.465 374 2HB TRP 46 2HB TRP 46 -14.511 5.783 -7.706 375 HD1 TRP 46 HD1 TRP 46 -16.043 5.926 -4.110 376 HE1 TRP 46 HE1 TRP 46 -18.548 5.290 -4.301 377 HE3 TRP 46 HE3 TRP 46 -16.330 5.440 -9.120 378 HZ2 TRP 46 HZ2 TRP 46 -20.414 4.636 -6.387 379 HZ3 TRP 46 HZ3 TRP 46 -18.495 4.798 -10.243 380 HH2 TRP 46 HH2 TRP 46 -20.525 4.395 -8.866 381 HA PRO 47 HA PRO 47 -15.002 3.797 -3.962 382 1HB PRO 47 2HB PRO 47 -16.262 1.592 -3.236 383 2HB PRO 47 1HB PRO 47 -16.790 2.458 -4.705 384 1HG PRO 47 2HG PRO 47 -14.996 0.013 -4.564 385 2HG PRO 47 1HG PRO 47 -16.428 0.267 -5.598 386 1HD PRO 47 2HD PRO 47 -13.786 0.767 -6.389 387 2HD PRO 47 1HD PRO 47 -15.211 1.570 -7.099 388 OH TYR 48 OH TYR 48 -10.822 -1.779 -6.966 389 H TYR 48 H TYR 48 -12.358 3.835 -3.704 390 HA TYR 48 HA TYR 48 -11.600 1.631 -1.827 391 1HB TYR 48 1HB TYR 48 -9.859 3.315 -3.670 392 2HB TYR 48 2HB TYR 48 -9.293 2.174 -2.464 393 HD1 TYR 48 HD1 TYR 48 -9.733 -0.305 -2.808 394 HD2 TYR 48 HD2 TYR 48 -10.829 2.614 -5.783 395 HE1 TYR 48 HE1 TYR 48 -10.100 -2.117 -4.465 396 HE2 TYR 48 HE2 TYR 48 -11.152 0.815 -7.440 397 HH TYR 48 HH TYR 48 -11.100 -1.461 -7.828 398 H GLN 49 H GLN 49 -10.035 2.251 -0.253 399 HA GLN 49 HA GLN 49 -9.837 5.131 0.362 400 1HB GLN 49 2HB GLN 49 -11.568 3.976 1.919 401 2HB GLN 49 1HB GLN 49 -10.132 3.104 2.519 402 1HG GLN 49 1HG GLN 49 -9.034 5.251 3.058 403 2HG GLN 49 2HG GLN 49 -10.472 6.126 2.496 404 1HE2 GLN 49 2HE2 GLN 49 -10.463 5.737 6.263 405 2HE2 GLN 49 1HE2 GLN 49 -9.245 6.275 5.127 406 H THR 50 H THR 50 -7.864 5.549 1.099 407 HA THR 50 HA THR 50 -5.765 3.428 1.105 408 HB THR 50 HB THR 50 -5.349 6.237 0.077 409 HG1 THR 50 HG1 THR 50 -5.576 5.295 -2.028 410 1HG2 THR 50 1HG2 THR 50 -3.829 3.656 -0.371 411 2HG2 THR 50 2HG2 THR 50 -3.470 5.196 -1.182 412 3HG2 THR 50 3HG2 THR 50 -3.281 5.068 0.569 413 H GLU 51 H GLU 51 -3.984 3.843 2.390 414 HA GLU 51 HA GLU 51 -3.972 6.218 4.116 415 1HB GLU 51 1HB GLU 51 -3.744 5.051 6.206 416 2HB GLU 51 2HB GLU 51 -5.288 4.647 5.438 417 1HG GLU 51 2HG GLU 51 -4.092 2.627 4.475 418 2HG GLU 51 1HG GLU 51 -2.778 2.948 5.630 419 H CYS 52 H CYS 52 -1.919 6.899 4.490 420 HA CYS 52 HA CYS 52 0.183 5.564 2.977 421 1HB CYS 52 1HB CYS 52 0.356 8.156 4.488 422 2HB CYS 52 2HB CYS 52 1.272 7.639 3.072 423 H CYS 53 H CYS 53 2.442 5.700 3.973 424 HA CYS 53 HA CYS 53 2.751 6.044 6.832 425 1HB CYS 53 1HB CYS 53 3.641 3.861 7.346 426 2HB CYS 53 2HB CYS 53 1.984 3.681 6.755 427 H LYS 54 H LYS 54 5.237 5.733 7.326 428 HA LYS 54 HA LYS 54 6.907 6.186 4.936 429 1HB LYS 54 2HB LYS 54 8.174 7.695 6.569 430 2HB LYS 54 1HB LYS 54 6.760 8.368 5.751 431 1HG LYS 54 1HG LYS 54 5.416 8.096 7.799 432 2HG LYS 54 2HG LYS 54 6.740 7.214 8.581 433 1HD LYS 54 2HD LYS 54 6.677 9.471 9.427 434 2HD LYS 54 1HD LYS 54 8.160 9.245 8.487 435 1HE LYS 54 1HE LYS 54 7.140 10.435 6.565 436 2HE LYS 54 2HE LYS 54 5.606 10.575 7.443 437 1HZ LYS 54 2HZ LYS 54 8.167 11.767 8.243 438 2HZ LYS 54 1HZ LYS 54 6.901 12.561 7.550 439 3HZ LYS 54 3HZ LYS 54 6.740 11.917 9.058 440 H GLY 55 H GLY 55 8.894 5.199 5.093 441 1HA GLY 55 1HA GLY 55 10.654 4.262 6.523 442 2HA GLY 55 2HA GLY 55 9.412 3.466 7.491 443 H ASP 56 H ASP 56 11.681 2.314 5.857 444 HA ASP 56 HA ASP 56 10.659 1.055 3.542 445 1HB ASP 56 2HB ASP 56 12.866 0.347 5.517 446 2HB ASP 56 1HB ASP 56 12.459 -0.687 4.146 447 NH1 ARG 57 NH1 ARG 57 11.349 -7.520 6.337 448 NH2 ARG 57 NH2 ARG 57 9.174 -8.234 5.995 449 H ARG 57 H ARG 57 9.513 -0.745 3.221 450 HA ARG 57 HA ARG 57 7.668 -2.004 3.557 451 1HB ARG 57 1HB ARG 57 8.094 -4.045 4.759 452 2HB ARG 57 2HB ARG 57 9.489 -3.581 3.786 453 1HG ARG 57 2HG ARG 57 10.596 -2.721 5.887 454 2HG ARG 57 1HG ARG 57 9.229 -3.360 6.816 455 1HD ARG 57 2HD ARG 57 11.226 -4.872 5.069 456 2HD ARG 57 1HD ARG 57 11.158 -4.842 6.843 457 HE ARG 57 HE ARG 57 8.677 -5.816 5.714 458 1HH1 ARG 57 1HH1 ARG 57 12.019 -6.768 6.383 459 2HH1 ARG 57 2HH1 ARG 57 11.660 -8.471 6.469 460 1HH2 ARG 57 1HH2 ARG 57 8.223 -8.002 5.728 461 2HH2 ARG 57 2HH2 ARG 57 9.438 -9.198 6.128 462 H CYS 58 H CYS 58 7.552 0.525 5.169 463 HA CYS 58 HA CYS 58 6.383 -0.079 7.671 464 1HB CYS 58 1HB CYS 58 5.500 2.154 7.583 465 2HB CYS 58 2HB CYS 58 7.158 2.139 6.997 466 H ASN 59 H ASN 59 5.075 -0.289 4.404 467 HA ASN 59 HA ASN 59 2.301 -0.074 5.289 468 1HB ASN 59 2HB ASN 59 1.758 -0.352 2.947 469 2HB ASN 59 1HB ASN 59 2.930 0.941 3.172 470 1HD2 ASN 59 2HD2 ASN 59 3.665 -1.134 0.122 471 2HD2 ASN 59 1HD2 ASN 59 2.624 0.125 0.741 472 H LYS 60 H LYS 60 3.004 -1.869 6.817 473 HA LYS 60 HA LYS 60 2.876 -4.612 5.791 474 1HB LYS 60 2HB LYS 60 2.747 -3.588 8.658 475 2HB LYS 60 1HB LYS 60 3.009 -5.257 8.124 476 1HG LYS 60 2HG LYS 60 5.117 -4.420 6.931 477 2HG LYS 60 1HG LYS 60 4.862 -2.878 7.770 478 1HD LYS 60 2HD LYS 60 4.980 -4.023 9.962 479 2HD LYS 60 1HD LYS 60 5.155 -5.586 9.151 480 1HE LYS 60 2HE LYS 60 7.338 -4.816 9.920 481 2HE LYS 60 1HE LYS 60 7.307 -4.845 8.148 482 1HZ LYS 60 3HZ LYS 60 6.899 -2.444 9.796 483 2HZ LYS 60 2HZ LYS 60 8.308 -2.858 9.044 484 3HZ LYS 60 1HZ LYS 60 6.973 -2.512 8.146 Start of MODEL 6 Raw file had 484 H/Q atoms Start of MODEL 6 1 NH1 ARG 1 NH1 ARG 1 12.145 5.299 5.030 2 NH2 ARG 1 NH2 ARG 1 10.817 7.191 4.941 3 1H ARG 1 3H ARG 1 13.499 3.846 -0.833 4 2H ARG 1 1H ARG 1 14.085 4.737 0.426 5 3H ARG 1 2H ARG 1 14.517 3.144 0.255 6 HA ARG 1 HA ARG 1 12.902 3.306 1.959 7 1HB ARG 1 1HB ARG 1 11.853 5.419 1.253 8 2HB ARG 1 2HB ARG 1 11.267 4.640 -0.224 9 1HG ARG 1 1HG ARG 1 9.410 4.802 1.252 10 2HG ARG 1 2HG ARG 1 9.848 3.109 1.180 11 1HD ARG 1 2HD ARG 1 9.401 3.543 3.421 12 2HD ARG 1 1HD ARG 1 11.162 3.495 3.376 13 HE ARG 1 HE ARG 1 9.516 6.007 3.281 14 1HH1 ARG 1 1HH1 ARG 1 12.385 4.349 4.761 15 2HH1 ARG 1 2HH1 ARG 1 12.738 5.750 5.710 16 1HH2 ARG 1 2HH2 ARG 1 9.997 7.656 4.558 17 2HH2 ARG 1 1HH2 ARG 1 11.383 7.658 5.633 18 H ILE 2 H ILE 2 12.365 1.128 2.163 19 HA ILE 2 HA ILE 2 11.517 -0.442 -0.198 20 HB ILE 2 HB ILE 2 11.704 -1.174 2.769 21 1HG1 ILE 2 1HG1 ILE 2 13.938 -0.671 1.982 22 2HG1 ILE 2 2HG1 ILE 2 13.750 -2.410 2.162 23 1HG2 ILE 2 1HG2 ILE 2 11.229 -2.866 0.274 24 2HG2 ILE 2 2HG2 ILE 2 11.698 -3.535 1.852 25 3HG2 ILE 2 3HG2 ILE 2 10.167 -2.680 1.677 26 1HD1 ILE 2 2HD1 ILE 2 13.384 -2.586 -0.317 27 2HD1 ILE 2 1HD1 ILE 2 13.685 -0.832 -0.438 28 3HD1 ILE 2 3HD1 ILE 2 14.965 -1.915 0.133 29 H CYS 3 H CYS 3 9.345 -1.071 -0.575 30 HA CYS 3 HA CYS 3 7.326 -0.390 1.518 31 1HB CYS 3 2HB CYS 3 7.082 0.302 -1.429 32 2HB CYS 3 1HB CYS 3 5.794 0.412 -0.233 33 OH TYR 4 OH TYR 4 7.035 -7.176 5.690 34 H TYR 4 H TYR 4 5.589 -1.848 1.513 35 HA TYR 4 HA TYR 4 6.112 -4.412 0.208 36 1HB TYR 4 1HB TYR 4 3.982 -3.314 2.048 37 2HB TYR 4 2HB TYR 4 3.715 -4.825 1.204 38 HD1 TYR 4 HD2 TYR 4 5.468 -6.687 1.458 39 HD2 TYR 4 HD1 TYR 4 5.200 -3.317 4.128 40 HE1 TYR 4 HE2 TYR 4 6.510 -8.030 3.262 41 HE2 TYR 4 HE1 TYR 4 6.212 -4.662 5.930 42 HH TYR 4 HH TYR 4 6.959 -6.769 6.556 43 H SER 5 H SER 5 4.710 -5.375 -1.311 44 HA SER 5 HA SER 5 3.147 -3.440 -2.995 45 1HB SER 5 1HB SER 5 4.747 -5.808 -4.021 46 2HB SER 5 2HB SER 5 4.093 -4.424 -4.917 47 HG SER 5 HG SER 5 5.547 -3.175 -3.406 48 H HIS 6 H HIS 6 3.528 -6.896 -2.064 49 HA HIS 6 HA HIS 6 1.373 -7.895 -3.522 50 1HB HIS 6 1HB HIS 6 1.429 -9.806 -2.113 51 2HB HIS 6 2HB HIS 6 3.085 -9.272 -2.313 52 HD1 HIS 6 HD1 HIS 6 3.804 -7.516 -0.080 53 HD2 HIS 6 HD2 HIS 6 0.885 -10.496 0.416 54 HE1 HIS 6 HE1 HIS 6 3.632 -8.037 2.413 55 H LYS 7 H LYS 7 -0.801 -8.160 -3.244 56 HA LYS 7 HA LYS 7 -2.162 -6.490 -1.257 57 1HB LYS 7 1HB LYS 7 -4.126 -6.994 -2.485 58 2HB LYS 7 2HB LYS 7 -2.821 -6.705 -3.635 59 1HG LYS 7 1HG LYS 7 -2.644 -9.271 -3.836 60 2HG LYS 7 2HG LYS 7 -4.159 -9.332 -2.914 61 1HD LYS 7 2HD LYS 7 -5.158 -7.714 -4.610 62 2HD LYS 7 1HD LYS 7 -3.669 -7.856 -5.545 63 1HE LYS 7 2HE LYS 7 -5.266 -9.308 -6.553 64 2HE LYS 7 1HE LYS 7 -4.118 -10.364 -5.714 65 1HZ LYS 7 2HZ LYS 7 -6.733 -9.506 -4.655 66 2HZ LYS 7 1HZ LYS 7 -6.426 -10.964 -5.366 67 3HZ LYS 7 3HZ LYS 7 -5.700 -10.570 -3.944 68 H ALA 8 H ALA 8 -4.128 -7.686 -0.069 69 HA ALA 8 HA ALA 8 -2.807 -9.650 1.651 70 1HB ALA 8 3HB ALA 8 -5.627 -8.490 1.670 71 2HB ALA 8 1HB ALA 8 -4.929 -9.507 2.950 72 3HB ALA 8 2HB ALA 8 -4.226 -7.930 2.620 73 H SER 9 H SER 9 -3.010 -10.769 -0.925 74 HA SER 9 HA SER 9 -4.156 -13.293 -0.265 75 1HB SER 9 2HB SER 9 -5.777 -13.251 -2.372 76 2HB SER 9 1HB SER 9 -6.311 -12.630 -0.811 77 HG SER 9 HG SER 9 -5.825 -10.548 -1.478 78 H LEU 10 H LEU 10 -1.605 -12.289 -0.955 79 HA LEU 10 HA LEU 10 -0.975 -14.065 -3.172 80 1HB LEU 10 2HB LEU 10 -0.340 -11.081 -3.150 81 2HB LEU 10 1HB LEU 10 0.585 -12.221 -4.120 82 HG LEU 10 HG LEU 10 -2.380 -11.638 -4.460 83 1HD1 LEU 10 2HD1 LEU 10 -0.811 -9.799 -5.144 84 2HD1 LEU 10 1HD1 LEU 10 0.033 -10.946 -6.197 85 3HD1 LEU 10 3HD1 LEU 10 -1.659 -10.522 -6.524 86 1HD2 LEU 10 1HD2 LEU 10 -0.480 -13.417 -6.067 87 2HD2 LEU 10 3HD2 LEU 10 -1.919 -13.957 -5.176 88 3HD2 LEU 10 2HD2 LEU 10 -2.103 -12.928 -6.595 89 HA PRO 11 HA PRO 11 2.504 -14.794 -0.520 90 1HB PRO 11 2HB PRO 11 4.304 -14.489 -2.929 91 2HB PRO 11 1HB PRO 11 4.283 -15.808 -1.723 92 1HG PRO 11 1HG PRO 11 3.166 -16.195 -4.163 93 2HG PRO 11 2HG PRO 11 2.291 -16.738 -2.698 94 1HD PRO 11 1HD PRO 11 1.870 -14.184 -4.275 95 2HD PRO 11 2HD PRO 11 0.665 -15.370 -3.691 96 NH1 ARG 12 NH1 ARG 12 8.888 -9.241 -0.110 97 NH2 ARG 12 NH2 ARG 12 10.666 -8.749 1.252 98 H ARG 12 H ARG 12 4.474 -13.708 0.395 99 HA ARG 12 HA ARG 12 4.135 -10.885 0.410 100 1HB ARG 12 1HB ARG 12 4.894 -11.519 2.316 101 2HB ARG 12 2HB ARG 12 5.960 -12.821 1.749 102 1HG ARG 12 2HG ARG 12 6.694 -9.887 1.384 103 2HG ARG 12 1HG ARG 12 6.883 -10.678 2.942 104 1HD ARG 12 2HD ARG 12 8.333 -12.387 2.074 105 2HD ARG 12 1HD ARG 12 8.189 -11.801 0.425 106 HE ARG 12 HE ARG 12 9.893 -10.798 2.529 107 1HH1 ARG 12 1HH1 ARG 12 8.135 -9.852 -0.386 108 2HH1 ARG 12 2HH1 ARG 12 9.113 -8.403 -0.638 109 1HH2 ARG 12 2HH2 ARG 12 11.319 -9.004 1.978 110 2HH2 ARG 12 1HH2 ARG 12 10.843 -7.953 0.643 111 H ALA 13 H ALA 13 5.036 -9.308 -0.555 112 HA ALA 13 HA ALA 13 7.346 -9.526 -2.346 113 1HB ALA 13 3HB ALA 13 5.379 -10.245 -3.772 114 2HB ALA 13 2HB ALA 13 4.719 -8.603 -3.566 115 3HB ALA 13 1HB ALA 13 6.281 -8.832 -4.353 116 H THR 14 H THR 14 8.336 -7.586 -2.590 117 HA THR 14 HA THR 14 7.239 -5.104 -1.457 118 HB THR 14 HB THR 14 9.623 -4.811 -0.484 119 HG1 THR 14 HG1 THR 14 10.526 -6.604 -1.623 120 1HG2 THR 14 3HG2 THR 14 7.803 -6.918 0.740 121 2HG2 THR 14 1HG2 THR 14 9.242 -6.254 1.533 122 3HG2 THR 14 2HG2 THR 14 7.913 -5.182 1.133 123 H LYS 15 H LYS 15 8.529 -3.259 -2.154 124 HA LYS 15 HA LYS 15 10.271 -3.681 -4.523 125 1HB LYS 15 1HB LYS 15 9.109 -1.987 -5.784 126 2HB LYS 15 2HB LYS 15 7.964 -3.264 -5.340 127 1HG LYS 15 1HG LYS 15 7.261 -1.777 -3.367 128 2HG LYS 15 2HG LYS 15 8.239 -0.498 -4.085 129 1HD LYS 15 1HD LYS 15 5.848 -1.898 -5.376 130 2HD LYS 15 2HD LYS 15 5.873 -0.269 -4.682 131 1HE LYS 15 1HE LYS 15 7.651 0.339 -6.407 132 2HE LYS 15 2HE LYS 15 7.366 -1.240 -7.160 133 1HZ LYS 15 3HZ LYS 15 5.085 -0.613 -7.464 134 2HZ LYS 15 2HZ LYS 15 5.355 0.860 -6.773 135 3HZ LYS 15 1HZ LYS 15 6.093 0.467 -8.192 136 H THR 16 H THR 16 11.662 -1.892 -4.936 137 HA THR 16 HA THR 16 12.352 -0.293 -2.533 138 HB THR 16 HB THR 16 13.946 -0.852 -5.073 139 HG1 THR 16 HG1 THR 16 13.852 -2.191 -2.573 140 1HG2 THR 16 1HG2 THR 16 14.788 0.160 -2.310 141 2HG2 THR 16 2HG2 THR 16 15.881 -0.239 -3.649 142 3HG2 THR 16 3HG2 THR 16 14.752 1.115 -3.809 143 H CYS 17 H CYS 17 12.068 1.918 -2.592 144 HA CYS 17 HA CYS 17 11.625 3.303 -5.196 145 1HB CYS 17 1HB CYS 17 9.828 3.194 -2.747 146 2HB CYS 17 2HB CYS 17 9.708 4.475 -3.957 147 H VAL 18 H VAL 18 11.632 5.682 -4.894 148 HA VAL 18 HA VAL 18 13.766 6.494 -3.022 149 HB VAL 18 HB VAL 18 13.597 8.600 -4.334 150 1HG1 VAL 18 3HG1 VAL 18 15.315 6.870 -4.772 151 2HG1 VAL 18 1HG1 VAL 18 14.221 6.069 -5.920 152 3HG1 VAL 18 2HG1 VAL 18 14.846 7.694 -6.268 153 1HG2 VAL 18 2HG2 VAL 18 11.359 8.463 -5.324 154 2HG2 VAL 18 1HG2 VAL 18 12.612 8.644 -6.546 155 3HG2 VAL 18 3HG2 VAL 18 11.868 7.063 -6.305 156 H GLU 19 H GLU 19 10.386 7.167 -3.801 157 HA GLU 19 HA GLU 19 9.793 9.352 -2.292 158 1HB GLU 19 1HB GLU 19 7.990 6.870 -2.399 159 2HB GLU 19 2HB GLU 19 7.520 8.527 -2.048 160 1HG GLU 19 2HG GLU 19 6.977 8.532 -4.254 161 2HG GLU 19 1HG GLU 19 8.655 9.030 -4.392 162 H ASN 20 H ASN 20 9.425 9.914 -0.214 163 HA ASN 20 HA ASN 20 10.613 8.337 1.876 164 1HB ASN 20 2HB ASN 20 10.070 10.150 3.296 165 2HB ASN 20 1HB ASN 20 10.496 10.887 1.748 166 1HD2 ASN 20 1HD2 ASN 20 7.207 12.236 3.275 167 2HD2 ASN 20 2HD2 ASN 20 8.730 11.851 4.059 168 H THR 21 H THR 21 7.404 8.283 0.467 169 HA THR 21 HA THR 21 6.286 7.038 2.934 170 HB THR 21 HB THR 21 4.121 7.925 1.683 171 HG1 THR 21 HG1 THR 21 6.058 9.866 0.912 172 1HG2 THR 21 2HG2 THR 21 6.009 9.708 3.282 173 2HG2 THR 21 1HG2 THR 21 4.304 10.074 2.942 174 3HG2 THR 21 3HG2 THR 21 4.726 8.657 3.916 175 H CYS 22 H CYS 22 4.820 5.399 2.687 176 HA CYS 22 HA CYS 22 4.676 3.997 0.082 177 1HB CYS 22 1HB CYS 22 4.493 2.588 2.754 178 2HB CYS 22 2HB CYS 22 4.614 1.909 1.153 179 OH TYR 23 OH TYR 23 0.011 2.051 -5.482 180 H TYR 23 H TYR 23 2.627 2.631 0.113 181 HA TYR 23 HA TYR 23 0.518 3.678 1.919 182 1HB TYR 23 1HB TYR 23 -1.014 4.127 0.153 183 2HB TYR 23 2HB TYR 23 0.471 5.006 -0.111 184 HD1 TYR 23 HD2 TYR 23 -1.662 2.187 -1.258 185 HD2 TYR 23 HD1 TYR 23 1.853 4.515 -2.145 186 HE1 TYR 23 HE2 TYR 23 -1.667 1.305 -3.562 187 HE2 TYR 23 HE1 TYR 23 1.702 3.792 -4.518 188 HH TYR 23 HH TYR 23 -0.673 1.396 -5.672 189 H LYS 24 H LYS 24 -1.371 2.528 1.723 190 HA LYS 24 HA LYS 24 -1.287 -0.077 0.391 191 1HB LYS 24 1HB LYS 24 -2.126 -1.340 2.298 192 2HB LYS 24 2HB LYS 24 -0.605 -0.543 2.734 193 1HG LYS 24 1HG LYS 24 -1.948 1.261 3.863 194 2HG LYS 24 2HG LYS 24 -3.403 0.292 3.527 195 1HD LYS 24 1HD LYS 24 -2.799 -0.243 5.747 196 2HD LYS 24 2HD LYS 24 -2.321 -1.640 4.772 197 1HE LYS 24 1HE LYS 24 0.026 -0.901 4.821 198 2HE LYS 24 2HE LYS 24 -0.436 0.613 5.634 199 1HZ LYS 24 3HZ LYS 24 -1.235 -0.831 7.457 200 2HZ LYS 24 1HZ LYS 24 -0.512 -2.118 6.704 201 3HZ LYS 24 2HZ LYS 24 0.394 -0.858 7.209 202 H MET 25 H MET 25 -2.968 -0.408 -0.727 203 HA MET 25 HA MET 25 -5.241 1.495 -0.545 204 1HB MET 25 2HB MET 25 -3.941 1.596 -2.638 205 2HB MET 25 1HB MET 25 -4.364 -0.103 -2.882 206 1HG MET 25 2HG MET 25 -6.749 0.452 -3.014 207 2HG MET 25 1HG MET 25 -6.416 2.104 -2.502 208 1HE MET 25 3HE MET 25 -6.785 -0.344 -5.392 209 2HE MET 25 1HE MET 25 -5.913 0.432 -6.734 210 3HE MET 25 2HE MET 25 -5.005 -0.294 -5.392 211 H PHE 26 H PHE 26 -7.212 0.664 -0.107 212 HA PHE 26 HA PHE 26 -7.699 -2.259 -0.165 213 1HB PHE 26 1HB PHE 26 -8.880 -1.893 2.058 214 2HB PHE 26 2HB PHE 26 -7.130 -1.753 2.120 215 HD1 PHE 26 HD1 PHE 26 -5.998 0.447 2.358 216 HD2 PHE 26 HD2 PHE 26 -10.301 0.228 2.235 217 HE1 PHE 26 HE1 PHE 26 -6.170 2.700 3.322 218 HE2 PHE 26 HE2 PHE 26 -10.441 2.350 3.461 219 HZ PHE 26 HZ PHE 26 -8.355 3.576 4.077 220 H ILE 27 H ILE 27 -10.089 -2.688 -0.012 221 HA ILE 27 HA ILE 27 -11.492 -0.791 -1.752 222 HB ILE 27 HB ILE 27 -12.246 -3.419 -0.451 223 1HG1 ILE 27 2HG1 ILE 27 -12.102 -2.408 -3.342 224 2HG1 ILE 27 1HG1 ILE 27 -10.865 -3.360 -2.524 225 1HG2 ILE 27 1HG2 ILE 27 -14.292 -1.920 -0.367 226 2HG2 ILE 27 2HG2 ILE 27 -14.126 -1.667 -2.114 227 3HG2 ILE 27 3HG2 ILE 27 -14.481 -3.276 -1.462 228 1HD1 ILE 27 2HD1 ILE 27 -12.610 -5.185 -2.204 229 2HD1 ILE 27 1HD1 ILE 27 -13.658 -4.253 -3.304 230 3HD1 ILE 27 3HD1 ILE 27 -12.100 -4.865 -3.878 231 NH1 ARG 28 NH1 ARG 28 -11.909 6.681 -1.268 232 NH2 ARG 28 NH2 ARG 28 -12.635 8.532 -0.103 233 H ARG 28 H ARG 28 -12.492 0.897 -1.055 234 HA ARG 28 HA ARG 28 -12.195 2.066 1.451 235 1HB ARG 28 1HB ARG 28 -12.764 3.069 -0.776 236 2HB ARG 28 2HB ARG 28 -14.410 2.495 -0.560 237 1HG ARG 28 1HG ARG 28 -14.651 4.028 1.406 238 2HG ARG 28 2HG ARG 28 -12.958 4.496 1.212 239 1HD ARG 28 2HD ARG 28 -13.847 4.976 -1.344 240 2HD ARG 28 1HD ARG 28 -15.348 5.195 -0.468 241 HE ARG 28 HE ARG 28 -14.487 7.055 0.655 242 1HH1 ARG 28 1HH1 ARG 28 -11.981 5.705 -1.539 243 2HH1 ARG 28 2HH1 ARG 28 -11.136 7.209 -1.665 244 1HH2 ARG 28 1HH2 ARG 28 -13.308 8.985 0.497 245 2HH2 ARG 28 2HH2 ARG 28 -11.853 9.063 -0.460 246 H THR 29 H THR 29 -15.103 0.454 0.177 247 HA THR 29 HA THR 29 -16.425 0.482 2.808 248 HB THR 29 HB THR 29 -18.258 -0.581 1.253 249 HG1 THR 29 HG1 THR 29 -16.959 -1.042 -0.536 250 1HG2 THR 29 3HG2 THR 29 -17.237 2.255 0.780 251 2HG2 THR 29 1HG2 THR 29 -18.871 1.652 0.425 252 3HG2 THR 29 2HG2 THR 29 -18.307 1.737 2.101 253 H HIS 30 H HIS 30 -13.964 -1.304 2.175 254 HA HIS 30 HA HIS 30 -14.866 -3.583 3.702 255 1HB HIS 30 1HB HIS 30 -15.630 -4.274 1.445 256 2HB HIS 30 2HB HIS 30 -14.018 -3.950 0.809 257 HD1 HIS 30 HD1 HIS 30 -14.000 -5.769 4.081 258 HD2 HIS 30 HD2 HIS 30 -13.997 -6.629 -0.026 259 HE1 HIS 30 HE1 HIS 30 -13.383 -8.213 3.825 260 NH1 ARG 31 NH1 ARG 31 -11.936 3.422 5.266 261 NH2 ARG 31 NH2 ARG 31 -9.914 3.784 6.295 262 H ARG 31 H ARG 31 -13.329 -1.732 4.461 263 HA ARG 31 HA ARG 31 -10.760 -1.255 3.855 264 1HB ARG 31 1HB ARG 31 -11.756 -1.645 6.707 265 2HB ARG 31 2HB ARG 31 -10.437 -0.605 6.148 266 1HG ARG 31 1HG ARG 31 -12.151 0.692 4.784 267 2HG ARG 31 2HG ARG 31 -13.417 -0.232 5.610 268 1HD ARG 31 1HD ARG 31 -13.281 1.735 6.867 269 2HD ARG 31 2HD ARG 31 -12.434 0.523 7.820 270 HE ARG 31 HE ARG 31 -10.464 1.691 7.567 271 1HH1 ARG 31 2HH1 ARG 31 -12.761 2.860 5.109 272 2HH1 ARG 31 1HH1 ARG 31 -11.742 4.227 4.681 273 1HH2 ARG 31 1HH2 ARG 31 -9.195 3.528 6.956 274 2HH2 ARG 31 2HH2 ARG 31 -9.781 4.575 5.671 275 H GLU 32 H GLU 32 -11.851 -4.247 5.314 276 HA GLU 32 HA GLU 32 -9.387 -5.065 6.379 277 1HB GLU 32 1HB GLU 32 -11.663 -6.843 5.355 278 2HB GLU 32 2HB GLU 32 -10.449 -7.259 6.553 279 1HG GLU 32 1HG GLU 32 -12.376 -6.894 7.793 280 2HG GLU 32 2HG GLU 32 -11.404 -5.443 8.065 281 OH TYR 33 OH TYR 33 -7.953 -8.134 -3.859 282 H TYR 33 H TYR 33 -10.584 -5.168 3.405 283 HA TYR 33 HA TYR 33 -8.679 -7.208 2.313 284 1HB TYR 33 1HB TYR 33 -10.938 -7.371 1.492 285 2HB TYR 33 2HB TYR 33 -10.909 -5.686 0.949 286 HD1 TYR 33 HD2 TYR 33 -9.041 -8.942 0.485 287 HD2 TYR 33 HD1 TYR 33 -10.305 -5.220 -1.272 288 HE1 TYR 33 HE2 TYR 33 -7.991 -9.594 -1.668 289 HE2 TYR 33 HE1 TYR 33 -9.298 -5.887 -3.428 290 HH TYR 33 HH TYR 33 -8.086 -7.482 -4.550 291 H ILE 34 H ILE 34 -6.649 -6.344 2.330 292 HA ILE 34 HA ILE 34 -6.103 -3.687 1.222 293 HB ILE 34 HB ILE 34 -4.107 -5.916 1.770 294 1HG1 ILE 34 2HG1 ILE 34 -5.219 -5.557 3.873 295 2HG1 ILE 34 1HG1 ILE 34 -3.647 -4.768 3.915 296 1HG2 ILE 34 3HG2 ILE 34 -3.834 -2.903 1.427 297 2HG2 ILE 34 2HG2 ILE 34 -2.533 -3.998 1.942 298 3HG2 ILE 34 1HG2 ILE 34 -3.248 -4.165 0.335 299 1HD1 ILE 34 1HD1 ILE 34 -4.796 -2.558 3.473 300 2HD1 ILE 34 3HD1 ILE 34 -6.357 -3.414 3.579 301 3HD1 ILE 34 2HD1 ILE 34 -5.285 -3.348 4.979 302 H SER 35 H SER 35 -6.182 -3.370 -0.847 303 HA SER 35 HA SER 35 -6.631 -5.481 -2.819 304 1HB SER 35 2HB SER 35 -6.659 -2.423 -2.925 305 2HB SER 35 1HB SER 35 -7.193 -3.503 -4.199 306 HG SER 35 HG SER 35 -8.251 -3.902 -1.619 307 H GLU 36 H GLU 36 -4.309 -2.872 -2.144 308 HA GLU 36 HA GLU 36 -2.227 -4.165 -3.757 309 1HB GLU 36 1HB GLU 36 -3.691 -2.795 -5.388 310 2HB GLU 36 2HB GLU 36 -3.222 -1.372 -4.448 311 1HG GLU 36 1HG GLU 36 -0.788 -1.908 -5.087 312 2HG GLU 36 2HG GLU 36 -1.450 -3.138 -6.171 313 NH1 ARG 37 NH1 ARG 37 1.323 -5.297 3.527 314 NH2 ARG 37 NH2 ARG 37 0.506 -6.951 2.103 315 H ARG 37 H ARG 37 -0.122 -2.915 -3.417 316 HA ARG 37 HA ARG 37 -0.224 -0.787 -1.384 317 1HB ARG 37 1HB ARG 37 1.297 -3.420 -1.138 318 2HB ARG 37 2HB ARG 37 1.893 -1.899 -0.445 319 1HG ARG 37 1HG ARG 37 0.060 -1.556 0.871 320 2HG ARG 37 2HG ARG 37 -0.823 -2.968 0.248 321 1HD ARG 37 1HD ARG 37 1.855 -3.031 1.673 322 2HD ARG 37 2HD ARG 37 0.300 -3.128 2.516 323 HE ARG 37 HE ARG 37 0.492 -5.132 0.423 324 1HH1 ARG 37 2HH1 ARG 37 1.671 -4.350 3.635 325 2HH1 ARG 37 1HH1 ARG 37 1.222 -5.838 4.391 326 1HH2 ARG 37 2HH2 ARG 37 0.238 -7.195 1.154 327 2HH2 ARG 37 1HH2 ARG 37 0.639 -7.676 2.795 328 H GLY 38 H GLY 38 1.710 0.535 -1.428 329 1HA GLY 38 2HA GLY 38 3.692 0.055 -3.458 330 2HA GLY 38 1HA GLY 38 2.454 1.125 -4.117 331 H CYS 39 H CYS 39 4.179 2.668 -4.350 332 HA CYS 39 HA CYS 39 5.357 3.875 -1.926 333 1HB CYS 39 1HB CYS 39 6.178 3.917 -4.846 334 2HB CYS 39 2HB CYS 39 7.065 4.591 -3.479 335 H GLY 40 H GLY 40 5.526 6.165 -1.830 336 1HA GLY 40 1HA GLY 40 4.797 8.307 -1.954 337 2HA GLY 40 2HA GLY 40 4.824 8.087 -3.684 338 H CYS 41 H CYS 41 3.032 7.303 -1.172 339 HA CYS 41 HA CYS 41 0.580 6.386 -1.708 340 1HB CYS 41 1HB CYS 41 1.380 7.049 0.538 341 2HB CYS 41 2HB CYS 41 0.981 8.723 0.160 342 HA PRO 42 HA PRO 42 -1.365 9.632 -4.231 343 1HB PRO 42 2HB PRO 42 -2.574 8.098 -6.101 344 2HB PRO 42 1HB PRO 42 -0.813 8.370 -6.107 345 1HG PRO 42 1HG PRO 42 -2.347 5.988 -5.011 346 2HG PRO 42 2HG PRO 42 -0.900 5.956 -6.058 347 1HD PRO 42 2HD PRO 42 -0.872 5.716 -3.291 348 2HD PRO 42 1HD PRO 42 0.515 6.349 -4.236 349 H THR 43 H THR 43 -3.687 9.974 -4.769 350 HA THR 43 HA THR 43 -5.416 9.207 -2.550 351 HB THR 43 HB THR 43 -6.259 10.720 -5.039 352 HG1 THR 43 HG1 THR 43 -4.598 11.638 -2.931 353 1HG2 THR 43 3HG2 THR 43 -6.898 11.056 -2.064 354 2HG2 THR 43 1HG2 THR 43 -7.508 12.086 -3.374 355 3HG2 THR 43 2HG2 THR 43 -7.986 10.385 -3.302 356 H ALA 44 H ALA 44 -7.600 8.235 -2.938 357 HA ALA 44 HA ALA 44 -8.041 6.799 -5.452 358 1HB ALA 44 3HB ALA 44 -7.674 5.373 -2.783 359 2HB ALA 44 2HB ALA 44 -8.338 4.631 -4.254 360 3HB ALA 44 1HB ALA 44 -6.655 5.193 -4.221 361 H MET 45 H MET 45 -10.254 6.326 -5.733 362 HA MET 45 HA MET 45 -12.158 7.496 -3.782 363 1HB MET 45 1HB MET 45 -12.078 7.443 -6.827 364 2HB MET 45 2HB MET 45 -13.467 7.940 -5.864 365 1HG MET 45 2HG MET 45 -12.059 9.699 -4.772 366 2HG MET 45 1HG MET 45 -10.730 9.278 -5.856 367 1HE MET 45 3HE MET 45 -10.764 9.604 -8.423 368 2HE MET 45 1HE MET 45 -12.358 8.851 -8.699 369 3HE MET 45 2HE MET 45 -12.026 10.483 -9.317 370 CH2 TRP 46 CH2 TRP 46 -20.723 1.921 -4.745 371 H TRP 46 H TRP 46 -14.351 6.493 -4.034 372 HA TRP 46 HA TRP 46 -14.347 3.802 -3.491 373 1HB TRP 46 1HB TRP 46 -16.239 5.590 -3.209 374 2HB TRP 46 2HB TRP 46 -16.629 5.239 -4.866 375 HD1 TRP 46 HD1 TRP 46 -16.017 2.993 -1.748 376 HE1 TRP 46 HE1 TRP 46 -17.839 1.182 -1.640 377 HE3 TRP 46 HE3 TRP 46 -18.755 4.608 -5.609 378 HZ2 TRP 46 HZ2 TRP 46 -20.290 0.586 -3.097 379 HZ3 TRP 46 HZ3 TRP 46 -20.894 3.426 -6.286 380 HH2 TRP 46 HH2 TRP 46 -21.638 1.417 -5.025 381 HA PRO 47 HA PRO 47 -15.353 1.635 -3.961 382 1HB PRO 47 2HB PRO 47 -14.340 -0.736 -4.658 383 2HB PRO 47 1HB PRO 47 -15.783 -0.051 -5.453 384 1HG PRO 47 1HG PRO 47 -12.915 0.115 -6.437 385 2HG PRO 47 2HG PRO 47 -14.341 -0.471 -7.346 386 1HD PRO 47 1HD PRO 47 -13.484 2.114 -7.562 387 2HD PRO 47 2HD PRO 47 -15.229 1.737 -7.530 388 OH TYR 48 OH TYR 48 -9.939 -2.867 -7.285 389 H TYR 48 H TYR 48 -12.192 2.804 -4.812 390 HA TYR 48 HA TYR 48 -10.903 1.149 -2.688 391 1HB TYR 48 1HB TYR 48 -9.771 2.815 -4.949 392 2HB TYR 48 2HB TYR 48 -8.811 2.026 -3.694 393 HD1 TYR 48 HD2 TYR 48 -9.357 -0.611 -3.389 394 HD2 TYR 48 HD1 TYR 48 -10.119 1.670 -6.973 395 HE1 TYR 48 HE2 TYR 48 -9.537 -2.707 -4.698 396 HE2 TYR 48 HE1 TYR 48 -10.215 -0.422 -8.282 397 HH TYR 48 HH TYR 48 -10.109 -2.729 -8.219 398 H GLN 49 H GLN 49 -9.402 2.065 -1.304 399 HA GLN 49 HA GLN 49 -9.186 4.983 -1.106 400 1HB GLN 49 1HB GLN 49 -10.924 4.722 0.274 401 2HB GLN 49 2HB GLN 49 -10.222 3.342 1.124 402 1HG GLN 49 1HG GLN 49 -8.523 4.920 2.098 403 2HG GLN 49 2HG GLN 49 -9.184 6.230 1.117 404 1HE2 GLN 49 2HE2 GLN 49 -12.138 6.639 3.159 405 2HE2 GLN 49 1HE2 GLN 49 -11.631 6.673 1.482 406 H THR 50 H THR 50 -7.354 5.550 -0.306 407 HA THR 50 HA THR 50 -5.223 3.516 0.228 408 HB THR 50 HB THR 50 -3.845 5.805 -0.285 409 HG1 THR 50 HG1 THR 50 -4.813 6.874 -1.961 410 1HG2 THR 50 3HG2 THR 50 -3.527 3.612 -1.362 411 2HG2 THR 50 1HG2 THR 50 -4.913 3.938 -2.431 412 3HG2 THR 50 2HG2 THR 50 -3.449 4.942 -2.527 413 H GLU 51 H GLU 51 -3.968 3.611 2.000 414 HA GLU 51 HA GLU 51 -4.117 6.044 3.702 415 1HB GLU 51 2HB GLU 51 -4.098 4.836 5.748 416 2HB GLU 51 1HB GLU 51 -5.519 4.380 4.807 417 1HG GLU 51 2HG GLU 51 -4.039 2.447 3.957 418 2HG GLU 51 1HG GLU 51 -2.977 2.798 5.332 419 H CYS 52 H CYS 52 -2.123 6.762 4.284 420 HA CYS 52 HA CYS 52 0.139 5.498 2.928 421 1HB CYS 52 2HB CYS 52 0.068 8.154 4.314 422 2HB CYS 52 1HB CYS 52 1.086 7.643 2.974 423 H CYS 53 H CYS 53 2.296 5.691 3.991 424 HA CYS 53 HA CYS 53 2.514 6.307 6.807 425 1HB CYS 53 1HB CYS 53 3.405 4.191 7.561 426 2HB CYS 53 2HB CYS 53 1.758 3.949 6.959 427 H LYS 54 H LYS 54 4.990 6.071 7.401 428 HA LYS 54 HA LYS 54 6.729 6.208 5.035 429 1HB LYS 54 2HB LYS 54 7.933 7.962 6.438 430 2HB LYS 54 1HB LYS 54 6.537 8.483 5.481 431 1HG LYS 54 2HG LYS 54 5.142 8.532 7.517 432 2HG LYS 54 1HG LYS 54 6.472 7.842 8.465 433 1HD LYS 54 2HD LYS 54 6.344 10.222 8.871 434 2HD LYS 54 1HD LYS 54 7.848 9.864 8.009 435 1HE LYS 54 1HE LYS 54 6.868 10.672 5.895 436 2HE LYS 54 2HE LYS 54 5.288 10.882 6.678 437 1HZ LYS 54 2HZ LYS 54 7.750 12.329 7.359 438 2HZ LYS 54 3HZ LYS 54 6.482 12.927 6.493 439 3HZ LYS 54 1HZ LYS 54 6.283 12.534 8.080 440 H GLY 55 H GLY 55 8.766 5.389 5.476 441 1HA GLY 55 1HA GLY 55 10.397 4.603 7.158 442 2HA GLY 55 2HA GLY 55 9.063 3.829 8.028 443 H ASP 56 H ASP 56 11.524 2.718 6.540 444 HA ASP 56 HA ASP 56 10.747 1.404 4.189 445 1HB ASP 56 2HB ASP 56 12.755 0.723 6.369 446 2HB ASP 56 1HB ASP 56 12.567 -0.235 4.896 447 NH1 ARG 57 NH1 ARG 57 11.108 -6.123 3.618 448 NH2 ARG 57 NH2 ARG 57 9.326 -7.543 4.027 449 H ARG 57 H ARG 57 9.591 -0.318 3.710 450 HA ARG 57 HA ARG 57 7.747 -1.515 3.824 451 1HB ARG 57 2HB ARG 57 8.278 -3.632 4.416 452 2HB ARG 57 1HB ARG 57 9.839 -2.915 4.147 453 1HG ARG 57 1HG ARG 57 10.060 -2.626 6.686 454 2HG ARG 57 2HG ARG 57 8.634 -3.662 6.840 455 1HD ARG 57 1HD ARG 57 11.281 -4.342 5.507 456 2HD ARG 57 2HD ARG 57 10.707 -4.940 7.055 457 HE ARG 57 HE ARG 57 8.845 -6.077 5.917 458 1HH1 ARG 57 2HH1 ARG 57 11.655 -5.314 3.865 459 2HH1 ARG 57 1HH1 ARG 57 11.366 -6.661 2.806 460 1HH2 ARG 57 1HH2 ARG 57 8.521 -7.778 4.602 461 2HH2 ARG 57 2HH2 ARG 57 9.524 -8.093 3.203 462 H CYS 58 H CYS 58 7.455 0.783 5.612 463 HA CYS 58 HA CYS 58 6.232 0.055 8.033 464 1HB CYS 58 1HB CYS 58 5.210 2.252 7.950 465 2HB CYS 58 2HB CYS 58 6.896 2.332 7.454 466 H ASN 59 H ASN 59 4.962 -0.025 4.732 467 HA ASN 59 HA ASN 59 2.158 -0.116 5.566 468 1HB ASN 59 2HB ASN 59 1.723 -0.334 3.161 469 2HB ASN 59 1HB ASN 59 2.759 1.049 3.492 470 1HD2 ASN 59 2HD2 ASN 59 3.882 -1.048 0.483 471 2HD2 ASN 59 1HD2 ASN 59 2.627 0.070 0.942 472 H LYS 60 H LYS 60 3.144 -2.009 6.999 473 HA LYS 60 HA LYS 60 3.363 -4.614 5.719 474 1HB LYS 60 1HB LYS 60 4.536 -3.899 7.792 475 2HB LYS 60 2HB LYS 60 2.973 -3.868 8.646 476 1HG LYS 60 1HG LYS 60 2.693 -6.305 8.055 477 2HG LYS 60 2HG LYS 60 4.305 -6.289 7.341 478 1HD LYS 60 2HD LYS 60 3.563 -5.822 10.276 479 2HD LYS 60 1HD LYS 60 4.329 -7.248 9.578 480 1HE LYS 60 1HE LYS 60 6.157 -6.182 10.511 481 2HE LYS 60 2HE LYS 60 6.245 -5.598 8.843 482 1HZ LYS 60 1HZ LYS 60 5.086 -4.179 11.150 483 2HZ LYS 60 3HZ LYS 60 6.535 -3.852 10.438 484 3HZ LYS 60 2HZ LYS 60 5.135 -3.587 9.617 Start of MODEL 7 Raw file had 484 H/Q atoms Start of MODEL 7 1 NH1 ARG 1 NH2 ARG 1 15.328 0.430 3.603 2 NH2 ARG 1 NH1 ARG 1 16.660 1.325 1.939 3 1H ARG 1 2H ARG 1 12.107 4.232 -1.329 4 2H ARG 1 1H ARG 1 11.104 4.991 -0.285 5 3H ARG 1 3H ARG 1 12.609 5.573 -0.525 6 HA ARG 1 HA ARG 1 13.625 3.777 0.569 7 1HB ARG 1 1HB ARG 1 11.546 5.087 1.925 8 2HB ARG 1 2HB ARG 1 11.126 3.405 2.177 9 1HG ARG 1 2HG ARG 1 13.717 4.813 2.984 10 2HG ARG 1 1HG ARG 1 12.367 4.363 4.016 11 1HD ARG 1 1HD ARG 1 13.883 2.703 4.511 12 2HD ARG 1 2HD ARG 1 12.867 1.898 3.367 13 HE ARG 1 HE ARG 1 15.069 3.227 2.025 14 1HH1 ARG 1 2HH2 ARG 1 14.527 0.488 4.228 15 2HH1 ARG 1 1HH2 ARG 1 15.938 -0.369 3.687 16 1HH2 ARG 1 2HH1 ARG 1 16.882 2.071 1.297 17 2HH2 ARG 1 1HH1 ARG 1 17.286 0.535 2.007 18 H ILE 2 H ILE 2 13.102 1.444 1.605 19 HA ILE 2 HA ILE 2 11.952 -0.232 -0.445 20 HB ILE 2 HB ILE 2 13.862 -0.523 1.594 21 1HG1 ILE 2 1HG1 ILE 2 13.794 -1.541 -0.678 22 2HG1 ILE 2 2HG1 ILE 2 14.376 -2.589 0.619 23 1HG2 ILE 2 1HG2 ILE 2 11.523 -2.345 2.307 24 2HG2 ILE 2 3HG2 ILE 2 13.199 -2.508 2.868 25 3HG2 ILE 2 2HG2 ILE 2 12.271 -1.068 3.278 26 1HD1 ILE 2 3HD1 ILE 2 11.468 -2.617 -0.291 27 2HD1 ILE 2 1HD1 ILE 2 12.714 -3.692 -0.959 28 3HD1 ILE 2 2HD1 ILE 2 12.292 -3.783 0.756 29 H CYS 3 H CYS 3 9.879 -0.954 -0.556 30 HA CYS 3 HA CYS 3 8.220 -0.958 1.869 31 1HB CYS 3 1HB CYS 3 7.849 0.907 -0.494 32 2HB CYS 3 2HB CYS 3 6.421 0.309 0.346 33 OH TYR 4 OH TYR 4 6.693 -6.837 5.252 34 H TYR 4 H TYR 4 5.824 -1.684 1.109 35 HA TYR 4 HA TYR 4 6.320 -4.154 -0.413 36 1HB TYR 4 2HB TYR 4 3.970 -3.088 1.213 37 2HB TYR 4 1HB TYR 4 3.916 -4.570 0.291 38 HD1 TYR 4 HD2 TYR 4 5.402 -6.526 0.903 39 HD2 TYR 4 HD1 TYR 4 5.023 -3.044 3.415 40 HE1 TYR 4 HE2 TYR 4 6.417 -7.754 2.813 41 HE2 TYR 4 HE1 TYR 4 5.852 -4.318 5.333 42 HH TYR 4 HH TYR 4 6.693 -6.332 6.068 43 H SER 5 H SER 5 5.352 -4.579 -2.389 44 HA SER 5 HA SER 5 3.321 -2.701 -3.427 45 1HB SER 5 1HB SER 5 5.915 -3.074 -4.933 46 2HB SER 5 2HB SER 5 4.540 -2.065 -5.395 47 HG SER 5 HG SER 5 5.147 -1.180 -3.057 48 H HIS 6 H HIS 6 2.064 -4.657 -3.237 49 HA HIS 6 HA HIS 6 2.109 -6.225 -5.674 50 1HB HIS 6 1HB HIS 6 2.133 -8.395 -4.518 51 2HB HIS 6 2HB HIS 6 3.640 -7.526 -4.235 52 HD1 HIS 6 HD1 HIS 6 3.885 -6.337 -1.801 53 HD2 HIS 6 HD2 HIS 6 0.830 -9.190 -2.200 54 HE1 HIS 6 HE1 HIS 6 2.916 -6.768 0.525 55 H LYS 7 H LYS 7 0.109 -7.517 -5.777 56 HA LYS 7 HA LYS 7 -2.172 -6.167 -4.457 57 1HB LYS 7 1HB LYS 7 -3.537 -7.552 -5.960 58 2HB LYS 7 2HB LYS 7 -2.444 -6.455 -6.808 59 1HG LYS 7 2HG LYS 7 -0.947 -8.268 -7.402 60 2HG LYS 7 1HG LYS 7 -1.849 -9.417 -6.382 61 1HD LYS 7 2HD LYS 7 -3.838 -9.151 -7.788 62 2HD LYS 7 1HD LYS 7 -3.017 -7.922 -8.772 63 1HE LYS 7 1HE LYS 7 -1.356 -9.590 -9.517 64 2HE LYS 7 2HE LYS 7 -2.102 -10.825 -8.484 65 1HZ LYS 7 2HZ LYS 7 -3.406 -9.466 -10.733 66 2HZ LYS 7 1HZ LYS 7 -2.822 -11.007 -10.736 67 3HZ LYS 7 3HZ LYS 7 -4.096 -10.612 -9.768 68 H ALA 8 H ALA 8 -3.671 -7.430 -3.181 69 HA ALA 8 HA ALA 8 -2.349 -9.373 -1.478 70 1HB ALA 8 3HB ALA 8 -3.874 -7.629 -0.648 71 2HB ALA 8 1HB ALA 8 -5.227 -8.373 -1.530 72 3HB ALA 8 2HB ALA 8 -4.438 -9.250 -0.202 73 H SER 9 H SER 9 -2.181 -10.577 -3.816 74 HA SER 9 HA SER 9 -3.575 -13.070 -3.369 75 1HB SER 9 2HB SER 9 -4.611 -13.213 -5.603 76 2HB SER 9 1HB SER 9 -5.291 -11.836 -4.721 77 HG SER 9 HG SER 9 -3.260 -11.800 -6.703 78 H LEU 10 H LEU 10 -0.927 -12.085 -3.197 79 HA LEU 10 HA LEU 10 0.515 -13.906 -4.912 80 1HB LEU 10 2HB LEU 10 1.036 -10.893 -4.862 81 2HB LEU 10 1HB LEU 10 2.204 -12.065 -5.461 82 HG LEU 10 HG LEU 10 -0.520 -11.536 -6.709 83 1HD1 LEU 10 2HD2 LEU 10 1.052 -9.644 -6.914 84 2HD1 LEU 10 3HD2 LEU 10 2.287 -10.734 -7.575 85 3HD1 LEU 10 1HD2 LEU 10 0.789 -10.436 -8.479 86 1HD2 LEU 10 1HD1 LEU 10 1.843 -13.238 -7.650 87 2HD2 LEU 10 2HD1 LEU 10 0.253 -13.860 -7.162 88 3HD2 LEU 10 3HD1 LEU 10 0.399 -12.862 -8.611 89 HA PRO 11 HA PRO 11 2.746 -13.979 -1.021 90 1HB PRO 11 1HB PRO 11 5.316 -13.787 -2.596 91 2HB PRO 11 2HB PRO 11 4.894 -14.948 -1.305 92 1HG PRO 11 2HG PRO 11 4.840 -15.732 -3.905 93 2HG PRO 11 1HG PRO 11 3.503 -16.201 -2.812 94 1HD PRO 11 2HD PRO 11 3.563 -13.911 -4.798 95 2HD PRO 11 1HD PRO 11 2.294 -15.144 -4.527 96 NH1 ARG 12 NH1 ARG 12 2.485 -7.207 3.732 97 NH2 ARG 12 NH2 ARG 12 0.817 -7.852 5.150 98 H ARG 12 H ARG 12 4.034 -12.474 0.387 99 HA ARG 12 HA ARG 12 3.624 -9.744 -0.345 100 1HB ARG 12 2HB ARG 12 5.259 -11.012 1.882 101 2HB ARG 12 1HB ARG 12 5.133 -9.265 1.586 102 1HG ARG 12 2HG ARG 12 2.705 -9.323 1.839 103 2HG ARG 12 1HG ARG 12 2.738 -11.067 2.140 104 1HD ARG 12 1HD ARG 12 3.943 -10.791 4.197 105 2HD ARG 12 2HD ARG 12 4.354 -9.114 3.851 106 HE ARG 12 HE ARG 12 1.877 -10.132 4.978 107 1HH1 ARG 12 1HH1 ARG 12 3.292 -7.381 3.156 108 2HH1 ARG 12 2HH1 ARG 12 2.054 -6.279 3.781 109 1HH2 ARG 12 2HH2 ARG 12 0.325 -8.524 5.717 110 2HH2 ARG 12 1HH2 ARG 12 0.521 -6.871 5.114 111 H ALA 13 H ALA 13 4.684 -8.736 -1.903 112 HA ALA 13 HA ALA 13 7.623 -9.199 -2.248 113 1HB ALA 13 2HB ALA 13 6.242 -9.945 -4.177 114 2HB ALA 13 3HB ALA 13 5.651 -8.280 -4.365 115 3HB ALA 13 1HB ALA 13 7.371 -8.631 -4.566 116 H THR 14 H THR 14 8.933 -7.500 -2.094 117 HA THR 14 HA THR 14 7.825 -4.801 -1.656 118 HB THR 14 HB THR 14 9.902 -4.559 -0.215 119 HG1 THR 14 HG1 THR 14 10.927 -6.552 0.353 120 1HG2 THR 14 3HG2 THR 14 7.989 -6.759 0.659 121 2HG2 THR 14 1HG2 THR 14 9.150 -5.939 1.719 122 3HG2 THR 14 2HG2 THR 14 7.851 -5.007 0.977 123 H LYS 15 H LYS 15 9.332 -3.085 -2.133 124 HA LYS 15 HA LYS 15 11.604 -3.732 -3.891 125 1HB LYS 15 1HB LYS 15 10.763 -2.261 -5.757 126 2HB LYS 15 2HB LYS 15 9.961 -3.826 -5.580 127 1HG LYS 15 2HG LYS 15 8.042 -2.796 -4.503 128 2HG LYS 15 1HG LYS 15 8.833 -1.229 -4.441 129 1HD LYS 15 2HD LYS 15 7.172 -1.370 -6.284 130 2HD LYS 15 1HD LYS 15 8.800 -0.974 -6.828 131 1HE LYS 15 2HE LYS 15 7.662 -2.590 -8.335 132 2HE LYS 15 1HE LYS 15 9.172 -3.219 -7.677 133 1HZ LYS 15 1HZ LYS 15 7.860 -4.429 -6.055 134 2HZ LYS 15 3HZ LYS 15 6.463 -3.887 -6.746 135 3HZ LYS 15 2HZ LYS 15 7.482 -4.855 -7.598 136 H THR 16 H THR 16 13.000 -2.070 -4.299 137 HA THR 16 HA THR 16 13.175 -0.015 -2.280 138 HB THR 16 HB THR 16 14.989 -0.439 -4.685 139 HG1 THR 16 HG1 THR 16 14.980 -1.910 -2.262 140 1HG2 THR 16 1HG2 THR 16 15.473 0.418 -1.782 141 2HG2 THR 16 2HG2 THR 16 16.704 0.287 -3.058 142 3HG2 THR 16 3HG2 THR 16 15.421 1.506 -3.187 143 H CYS 17 H CYS 17 11.372 1.327 -2.741 144 HA CYS 17 HA CYS 17 11.196 2.661 -5.391 145 1HB CYS 17 1HB CYS 17 9.659 2.908 -2.780 146 2HB CYS 17 2HB CYS 17 9.390 3.974 -4.165 147 H VAL 18 H VAL 18 11.241 5.111 -5.390 148 HA VAL 18 HA VAL 18 13.557 6.105 -3.908 149 HB VAL 18 HB VAL 18 11.537 7.523 -5.709 150 1HG1 VAL 18 2HG2 VAL 18 14.236 8.444 -4.622 151 2HG1 VAL 18 1HG2 VAL 18 13.275 9.290 -5.852 152 3HG1 VAL 18 3HG2 VAL 18 12.652 9.134 -4.207 153 1HG2 VAL 18 2HG1 VAL 18 14.340 6.454 -6.260 154 2HG2 VAL 18 3HG1 VAL 18 12.828 5.796 -6.919 155 3HG2 VAL 18 1HG1 VAL 18 13.359 7.416 -7.384 156 H GLU 19 H GLU 19 10.129 6.965 -4.087 157 HA GLU 19 HA GLU 19 9.586 8.867 -2.468 158 1HB GLU 19 1HB GLU 19 8.064 6.242 -2.240 159 2HB GLU 19 2HB GLU 19 7.423 7.876 -1.941 160 1HG GLU 19 1HG GLU 19 8.256 6.610 -4.519 161 2HG GLU 19 2HG GLU 19 6.651 7.176 -4.106 162 H ASN 20 H ASN 20 9.273 9.507 -0.519 163 HA ASN 20 HA ASN 20 10.563 8.113 1.717 164 1HB ASN 20 2HB ASN 20 10.287 10.136 2.902 165 2HB ASN 20 1HB ASN 20 10.725 10.639 1.264 166 1HD2 ASN 20 2HD2 ASN 20 7.584 12.402 2.781 167 2HD2 ASN 20 1HD2 ASN 20 9.076 11.930 3.572 168 H THR 21 H THR 21 7.352 8.210 0.267 169 HA THR 21 HA THR 21 6.115 7.398 2.860 170 HB THR 21 HB THR 21 4.058 8.399 1.491 171 HG1 THR 21 HG1 THR 21 6.209 10.061 0.630 172 1HG2 THR 21 1HG2 THR 21 6.069 10.081 3.047 173 2HG2 THR 21 2HG2 THR 21 4.428 10.612 2.611 174 3HG2 THR 21 3HG2 THR 21 4.647 9.218 3.681 175 H CYS 22 H CYS 22 4.317 5.858 2.458 176 HA CYS 22 HA CYS 22 4.170 4.629 -0.190 177 1HB CYS 22 1HB CYS 22 4.847 3.037 2.294 178 2HB CYS 22 2HB CYS 22 4.594 2.390 0.681 179 OH TYR 23 OH TYR 23 -0.305 2.012 -5.409 180 H TYR 23 H TYR 23 2.390 2.832 0.026 181 HA TYR 23 HA TYR 23 0.325 3.700 1.984 182 1HB TYR 23 1HB TYR 23 -1.341 3.918 0.260 183 2HB TYR 23 2HB TYR 23 0.010 4.975 -0.055 184 HD1 TYR 23 HD1 TYR 23 -1.749 1.865 -1.108 185 HD2 TYR 23 HD2 TYR 23 1.493 4.522 -2.079 186 HE1 TYR 23 HE1 TYR 23 -1.778 1.045 -3.433 187 HE2 TYR 23 HE2 TYR 23 1.337 3.817 -4.456 188 HH TYR 23 HH TYR 23 -0.940 1.309 -5.568 189 H LYS 24 H LYS 24 -1.456 2.414 1.967 190 HA LYS 24 HA LYS 24 -1.261 -0.269 0.746 191 1HB LYS 24 1HB LYS 24 -2.129 -1.375 2.723 192 2HB LYS 24 2HB LYS 24 -0.574 -0.591 3.032 193 1HG LYS 24 2HG LYS 24 -1.820 1.311 4.137 194 2HG LYS 24 1HG LYS 24 -3.324 0.407 3.857 195 1HD LYS 24 2HD LYS 24 -2.746 -0.111 6.080 196 2HD LYS 24 1HD LYS 24 -2.277 -1.539 5.137 197 1HE LYS 24 1HE LYS 24 0.065 -0.741 5.105 198 2HE LYS 24 2HE LYS 24 -0.392 0.683 6.074 199 1HZ LYS 24 2HZ LYS 24 -1.115 -0.972 7.755 200 2HZ LYS 24 1HZ LYS 24 -0.457 -2.153 6.787 201 3HZ LYS 24 3HZ LYS 24 0.509 -0.990 7.435 202 H MET 25 H MET 25 -2.968 -0.663 -0.401 203 HA MET 25 HA MET 25 -5.231 1.247 -0.396 204 1HB MET 25 1HB MET 25 -3.902 1.082 -2.417 205 2HB MET 25 2HB MET 25 -4.352 -0.626 -2.511 206 1HG MET 25 2HG MET 25 -6.681 -0.078 -2.850 207 2HG MET 25 1HG MET 25 -6.417 1.599 -2.367 208 1HE MET 25 1HE MET 25 -5.708 -1.076 -5.097 209 2HE MET 25 2HE MET 25 -5.040 -0.091 -6.421 210 3HE MET 25 3HE MET 25 -4.087 -0.341 -4.944 211 H PHE 26 H PHE 26 -7.252 0.572 0.069 212 HA PHE 26 HA PHE 26 -7.914 -2.300 0.372 213 1HB PHE 26 1HB PHE 26 -8.892 -1.791 2.584 214 2HB PHE 26 2HB PHE 26 -7.150 -1.533 2.569 215 HD1 PHE 26 HD1 PHE 26 -6.330 0.984 2.134 216 HD2 PHE 26 HD2 PHE 26 -10.308 -0.079 3.443 217 HE1 PHE 26 HE1 PHE 26 -6.648 3.203 3.097 218 HE2 PHE 26 HE2 PHE 26 -10.389 1.977 4.807 219 HZ PHE 26 HZ PHE 26 -8.428 3.563 4.778 220 H ILE 27 H ILE 27 -10.329 -2.535 0.582 221 HA ILE 27 HA ILE 27 -11.724 -0.556 -1.113 222 HB ILE 27 HB ILE 27 -12.738 -3.035 0.314 223 1HG1 ILE 27 1HG1 ILE 27 -12.130 -2.362 -2.614 224 2HG1 ILE 27 2HG1 ILE 27 -11.184 -3.436 -1.575 225 1HG2 ILE 27 1HG2 ILE 27 -14.505 -1.270 0.076 226 2HG2 ILE 27 3HG2 ILE 27 -14.120 -1.144 -1.650 227 3HG2 ILE 27 2HG2 ILE 27 -14.830 -2.626 -0.989 228 1HD1 ILE 27 3HD1 ILE 27 -13.244 -4.893 -1.347 229 2HD1 ILE 27 2HD1 ILE 27 -14.006 -3.889 -2.610 230 3HD1 ILE 27 1HD1 ILE 27 -12.541 -4.804 -2.982 231 NH1 ARG 28 NH2 ARG 28 -13.507 7.391 3.179 232 NH2 ARG 28 NH1 ARG 28 -15.668 7.950 3.767 233 H ARG 28 H ARG 28 -12.772 1.147 -0.276 234 HA ARG 28 HA ARG 28 -12.114 2.244 2.162 235 1HB ARG 28 1HB ARG 28 -13.051 3.495 0.306 236 2HB ARG 28 2HB ARG 28 -14.624 2.700 0.496 237 1HG ARG 28 1HG ARG 28 -15.025 3.792 2.600 238 2HG ARG 28 2HG ARG 28 -13.355 4.374 2.710 239 1HD ARG 28 1HD ARG 28 -13.680 5.930 0.883 240 2HD ARG 28 2HD ARG 28 -15.210 5.169 0.444 241 HE ARG 28 HE ARG 28 -16.334 6.261 2.088 242 1HH1 ARG 28 1HH2 ARG 28 -12.832 6.874 2.626 243 2HH1 ARG 28 2HH2 ARG 28 -13.146 8.068 3.833 244 1HH2 ARG 28 1HH1 ARG 28 -16.665 7.828 3.663 245 2HH2 ARG 28 2HH1 ARG 28 -15.321 8.625 4.432 246 H THR 29 H THR 29 -15.058 0.317 1.572 247 HA THR 29 HA THR 29 -16.119 0.702 4.233 248 HB THR 29 HB THR 29 -17.663 -1.179 3.366 249 HG1 THR 29 HG1 THR 29 -16.840 -2.165 1.667 250 1HG2 THR 29 2HG2 THR 29 -17.333 1.330 1.653 251 2HG2 THR 29 1HG2 THR 29 -18.779 0.308 1.752 252 3HG2 THR 29 3HG2 THR 29 -18.243 1.221 3.176 253 H HIS 30 H HIS 30 -13.531 -1.270 3.159 254 HA HIS 30 HA HIS 30 -13.872 -3.161 5.452 255 1HB HIS 30 1HB HIS 30 -12.867 -3.851 2.673 256 2HB HIS 30 2HB HIS 30 -13.147 -4.966 4.021 257 HD1 HIS 30 HD1 HIS 30 -15.920 -4.427 4.950 258 HD2 HIS 30 HD2 HIS 30 -14.919 -3.988 0.909 259 HE1 HIS 30 HE1 HIS 30 -18.093 -4.279 3.647 260 NH1 ARG 31 NH2 ARG 31 -13.454 -1.850 9.536 261 NH2 ARG 31 NH1 ARG 31 -14.966 -2.322 7.856 262 H ARG 31 H ARG 31 -12.563 -1.260 6.315 263 HA ARG 31 HA ARG 31 -9.990 -0.578 5.687 264 1HB ARG 31 1HB ARG 31 -11.135 -1.149 8.443 265 2HB ARG 31 2HB ARG 31 -9.739 -0.138 8.074 266 1HG ARG 31 2HG ARG 31 -11.039 1.610 7.751 267 2HG ARG 31 1HG ARG 31 -11.865 0.851 6.409 268 1HD ARG 31 1HD ARG 31 -12.678 0.651 9.351 269 2HD ARG 31 2HD ARG 31 -13.395 1.694 8.140 270 HE ARG 31 HE ARG 31 -14.398 -0.065 7.014 271 1HH1 ARG 31 1HH2 ARG 31 -12.797 -1.225 9.974 272 2HH1 ARG 31 2HH2 ARG 31 -13.591 -2.773 9.920 273 1HH2 ARG 31 1HH1 ARG 31 -15.445 -2.056 7.001 274 2HH2 ARG 31 2HH1 ARG 31 -15.132 -3.235 8.251 275 H GLU 32 H GLU 32 -10.998 -3.425 7.520 276 HA GLU 32 HA GLU 32 -8.330 -4.367 7.861 277 1HB GLU 32 2HB GLU 32 -9.382 -6.209 9.025 278 2HB GLU 32 1HB GLU 32 -10.357 -4.797 9.407 279 1HG GLU 32 1HG GLU 32 -11.003 -6.988 7.353 280 2HG GLU 32 2HG GLU 32 -11.748 -6.767 8.927 281 OH TYR 33 OH TYR 33 -9.026 -7.730 -2.171 282 H TYR 33 H TYR 33 -9.633 -4.230 5.117 283 HA TYR 33 HA TYR 33 -8.477 -6.819 4.103 284 1HB TYR 33 1HB TYR 33 -10.846 -6.942 3.734 285 2HB TYR 33 2HB TYR 33 -10.878 -5.292 3.101 286 HD1 TYR 33 HD2 TYR 33 -8.710 -8.303 2.323 287 HD2 TYR 33 HD1 TYR 33 -11.378 -5.256 0.829 288 HE1 TYR 33 HE2 TYR 33 -8.079 -8.878 0.001 289 HE2 TYR 33 HE1 TYR 33 -10.809 -5.905 -1.486 290 HH TYR 33 HH TYR 33 -9.515 -7.238 -2.833 291 H ILE 34 H ILE 34 -6.419 -5.994 3.787 292 HA ILE 34 HA ILE 34 -6.021 -3.573 2.169 293 HB ILE 34 HB ILE 34 -4.033 -5.727 3.022 294 1HG1 ILE 34 1HG1 ILE 34 -4.876 -4.765 5.041 295 2HG1 ILE 34 2HG1 ILE 34 -3.298 -4.056 4.718 296 1HG2 ILE 34 1HG2 ILE 34 -3.690 -2.937 1.833 297 2HG2 ILE 34 2HG2 ILE 34 -2.376 -3.900 2.545 298 3HG2 ILE 34 3HG2 ILE 34 -3.220 -4.482 1.108 299 1HD1 ILE 34 3HD1 ILE 34 -4.489 -2.006 3.794 300 2HD1 ILE 34 2HD1 ILE 34 -6.021 -2.738 4.332 301 3HD1 ILE 34 1HD1 ILE 34 -4.776 -2.328 5.512 302 H SER 35 H SER 35 -6.275 -3.616 0.034 303 HA SER 35 HA SER 35 -6.674 -6.163 -1.391 304 1HB SER 35 1HB SER 35 -6.931 -3.320 -2.441 305 2HB SER 35 2HB SER 35 -7.659 -4.808 -3.077 306 HG SER 35 HG SER 35 -8.480 -4.703 -0.620 307 H GLU 36 H GLU 36 -4.392 -3.374 -1.273 308 HA GLU 36 HA GLU 36 -2.368 -4.887 -2.678 309 1HB GLU 36 2HB GLU 36 -3.758 -4.195 -4.610 310 2HB GLU 36 1HB GLU 36 -3.799 -2.535 -4.018 311 1HG GLU 36 1HG GLU 36 -1.437 -2.228 -4.562 312 2HG GLU 36 2HG GLU 36 -1.279 -3.942 -4.993 313 NH1 ARG 37 NH1 ARG 37 -0.461 -6.491 2.408 314 NH2 ARG 37 NH2 ARG 37 -1.198 -6.993 0.271 315 H ARG 37 H ARG 37 -0.354 -3.437 -2.914 316 HA ARG 37 HA ARG 37 -0.403 -1.060 -1.111 317 1HB ARG 37 1HB ARG 37 1.415 -3.499 -0.916 318 2HB ARG 37 2HB ARG 37 1.966 -1.899 -0.423 319 1HG ARG 37 1HG ARG 37 0.860 -1.820 1.435 320 2HG ARG 37 2HG ARG 37 -0.631 -2.395 0.723 321 1HD ARG 37 2HD ARG 37 1.619 -4.225 1.604 322 2HD ARG 37 1HD ARG 37 0.103 -3.904 2.450 323 HE ARG 37 HE ARG 37 -0.217 -4.792 -0.329 324 1HH1 ARG 37 1HH1 ARG 37 0.001 -5.864 3.073 325 2HH1 ARG 37 2HH1 ARG 37 -0.782 -7.382 2.750 326 1HH2 ARG 37 2HH2 ARG 37 -1.237 -6.769 -0.712 327 2HH2 ARG 37 1HH2 ARG 37 -1.547 -7.882 0.593 328 H GLY 38 H GLY 38 1.524 0.292 -1.345 329 1HA GLY 38 2HA GLY 38 3.244 -0.050 -3.603 330 2HA GLY 38 1HA GLY 38 1.931 1.018 -4.073 331 H CYS 39 H CYS 39 3.918 2.452 -4.331 332 HA CYS 39 HA CYS 39 5.062 3.519 -1.832 333 1HB CYS 39 1HB CYS 39 5.958 3.504 -4.720 334 2HB CYS 39 2HB CYS 39 6.810 4.309 -3.402 335 H GLY 40 H GLY 40 5.479 5.757 -1.664 336 1HA GLY 40 2HA GLY 40 4.479 7.706 -1.167 337 2HA GLY 40 1HA GLY 40 5.120 8.087 -2.698 338 H CYS 41 H CYS 41 2.534 6.848 -0.815 339 HA CYS 41 HA CYS 41 0.228 6.345 -1.673 340 1HB CYS 41 1HB CYS 41 0.916 7.038 0.613 341 2HB CYS 41 2HB CYS 41 0.636 8.711 0.153 342 HA PRO 42 HA PRO 42 -1.233 9.650 -4.420 343 1HB PRO 42 1HB PRO 42 -1.889 8.212 -6.603 344 2HB PRO 42 2HB PRO 42 -0.183 8.524 -6.193 345 1HG PRO 42 1HG PRO 42 -1.830 6.037 -5.624 346 2HG PRO 42 2HG PRO 42 -0.181 6.118 -6.307 347 1HD PRO 42 2HD PRO 42 -0.823 5.726 -3.609 348 2HD PRO 42 1HD PRO 42 0.755 6.366 -4.183 349 H THR 43 H THR 43 -3.444 9.755 -5.544 350 HA THR 43 HA THR 43 -5.527 9.067 -3.763 351 HB THR 43 HB THR 43 -5.934 9.727 -6.695 352 HG1 THR 43 HG1 THR 43 -5.414 11.907 -6.146 353 1HG2 THR 43 2HG2 THR 43 -7.191 10.799 -4.118 354 2HG2 THR 43 1HG2 THR 43 -7.648 11.274 -5.766 355 3HG2 THR 43 3HG2 THR 43 -7.935 9.617 -5.219 356 H ALA 44 H ALA 44 -7.411 7.683 -4.251 357 HA ALA 44 HA ALA 44 -6.933 5.420 -6.127 358 1HB ALA 44 3HB ALA 44 -7.967 5.274 -3.264 359 2HB ALA 44 2HB ALA 44 -7.937 3.927 -4.425 360 3HB ALA 44 1HB ALA 44 -6.415 4.642 -3.857 361 H MET 45 H MET 45 -8.905 4.638 -7.066 362 HA MET 45 HA MET 45 -11.065 6.633 -7.099 363 1HB MET 45 2HB MET 45 -10.451 4.148 -8.757 364 2HB MET 45 1HB MET 45 -11.840 5.217 -9.002 365 1HG MET 45 1HG MET 45 -8.906 6.002 -9.240 366 2HG MET 45 2HG MET 45 -10.047 5.730 -10.562 367 1HE MET 45 3HE MET 45 -9.220 7.997 -11.626 368 2HE MET 45 2HE MET 45 -9.267 9.556 -10.769 369 3HE MET 45 1HE MET 45 -8.144 8.284 -10.233 370 CH2 TRP 46 CH2 TRP 46 -20.483 4.347 -4.361 371 H TRP 46 H TRP 46 -13.184 6.126 -6.646 372 HA TRP 46 HA TRP 46 -13.658 4.453 -4.428 373 1HB TRP 46 1HB TRP 46 -15.034 6.487 -5.422 374 2HB TRP 46 2HB TRP 46 -15.746 5.290 -6.461 375 HD1 TRP 46 HD1 TRP 46 -15.169 5.431 -2.595 376 HE1 TRP 46 HE1 TRP 46 -17.422 4.878 -1.438 377 HE3 TRP 46 HE3 TRP 46 -18.072 5.031 -6.707 378 HZ2 TRP 46 HZ2 TRP 46 -20.129 4.321 -2.227 379 HZ3 TRP 46 HZ3 TRP 46 -20.523 4.481 -6.516 380 HH2 TRP 46 HH2 TRP 46 -21.537 4.123 -4.275 381 HA PRO 47 HA PRO 47 -15.122 2.919 -3.508 382 1HB PRO 47 2HB PRO 47 -15.495 0.433 -2.679 383 2HB PRO 47 1HB PRO 47 -16.582 1.141 -3.900 384 1HG PRO 47 2HG PRO 47 -14.160 -0.619 -4.441 385 2HG PRO 47 1HG PRO 47 -15.836 -0.876 -5.012 386 1HD PRO 47 1HD PRO 47 -13.944 0.435 -6.530 387 2HD PRO 47 2HD PRO 47 -15.668 0.896 -6.572 388 OH TYR 48 OH TYR 48 -10.643 -3.834 -5.925 389 H TYR 48 H TYR 48 -12.112 2.322 -4.775 390 HA TYR 48 HA TYR 48 -10.953 1.023 -2.404 391 1HB TYR 48 1HB TYR 48 -9.709 2.178 -4.923 392 2HB TYR 48 2HB TYR 48 -8.799 1.570 -3.549 393 HD1 TYR 48 HD2 TYR 48 -9.042 -0.873 -2.879 394 HD2 TYR 48 HD1 TYR 48 -10.846 0.684 -6.472 395 HE1 TYR 48 HE2 TYR 48 -9.496 -3.181 -3.658 396 HE2 TYR 48 HE1 TYR 48 -11.267 -1.624 -7.260 397 HH TYR 48 HH TYR 48 -11.079 -3.875 -6.778 398 H GLN 49 H GLN 49 -9.320 1.984 -1.177 399 HA GLN 49 HA GLN 49 -9.034 4.904 -1.209 400 1HB GLN 49 1HB GLN 49 -10.753 4.715 0.175 401 2HB GLN 49 2HB GLN 49 -10.087 3.331 1.068 402 1HG GLN 49 2HG GLN 49 -8.433 4.886 2.096 403 2HG GLN 49 1HG GLN 49 -8.985 6.188 1.025 404 1HE2 GLN 49 2HE2 GLN 49 -11.484 4.988 4.110 405 2HE2 GLN 49 1HE2 GLN 49 -10.377 3.832 3.383 406 H THR 50 H THR 50 -7.178 5.448 -0.630 407 HA THR 50 HA THR 50 -5.044 3.458 0.049 408 HB THR 50 HB THR 50 -3.664 5.676 -0.631 409 HG1 THR 50 HG1 THR 50 -4.658 6.683 -2.358 410 1HG2 THR 50 1HG2 THR 50 -3.402 3.444 -1.571 411 2HG2 THR 50 3HG2 THR 50 -4.838 3.650 -2.578 412 3HG2 THR 50 2HG2 THR 50 -3.395 4.657 -2.864 413 H GLU 51 H GLU 51 -4.216 3.458 2.047 414 HA GLU 51 HA GLU 51 -4.368 5.985 3.659 415 1HB GLU 51 2HB GLU 51 -4.404 4.752 5.675 416 2HB GLU 51 1HB GLU 51 -5.849 4.472 4.714 417 1HG GLU 51 1HG GLU 51 -4.674 2.309 3.886 418 2HG GLU 51 2HG GLU 51 -3.443 2.744 5.072 419 H CYS 52 H CYS 52 -2.492 6.820 4.034 420 HA CYS 52 HA CYS 52 -0.160 5.602 2.823 421 1HB CYS 52 2HB CYS 52 -0.300 8.237 4.238 422 2HB CYS 52 1HB CYS 52 0.727 7.784 2.887 423 H CYS 53 H CYS 53 1.985 5.840 3.901 424 HA CYS 53 HA CYS 53 2.164 6.413 6.725 425 1HB CYS 53 1HB CYS 53 2.999 4.324 7.504 426 2HB CYS 53 2HB CYS 53 1.444 3.990 6.725 427 H LYS 54 H LYS 54 4.619 6.209 7.355 428 HA LYS 54 HA LYS 54 6.430 6.432 5.069 429 1HB LYS 54 2HB LYS 54 7.434 8.327 6.459 430 2HB LYS 54 1HB LYS 54 6.060 8.724 5.420 431 1HG LYS 54 1HG LYS 54 4.562 8.689 7.382 432 2HG LYS 54 2HG LYS 54 5.924 8.215 8.428 433 1HD LYS 54 2HD LYS 54 7.105 10.330 7.773 434 2HD LYS 54 1HD LYS 54 5.697 10.808 6.814 435 1HE LYS 54 1HE LYS 54 5.720 10.305 9.835 436 2HE LYS 54 2HE LYS 54 5.743 11.893 9.051 437 1HZ LYS 54 1HZ LYS 54 3.615 11.381 8.084 438 2HZ LYS 54 2HZ LYS 54 3.579 9.921 8.849 439 3HZ LYS 54 3HZ LYS 54 3.556 11.311 9.729 440 H GLY 55 H GLY 55 8.523 5.900 5.671 441 1HA GLY 55 2HA GLY 55 10.216 5.235 7.148 442 2HA GLY 55 1HA GLY 55 9.113 4.765 8.387 443 H ASP 56 H ASP 56 10.892 3.804 6.056 444 HA ASP 56 HA ASP 56 11.105 1.945 4.552 445 1HB ASP 56 1HB ASP 56 11.986 1.567 6.985 446 2HB ASP 56 2HB ASP 56 10.618 0.484 7.183 447 NH1 ARG 57 NH1 ARG 57 12.010 -3.623 7.074 448 NH2 ARG 57 NH2 ARG 57 11.733 -5.633 8.184 449 H ARG 57 H ARG 57 10.101 -0.668 4.926 450 HA ARG 57 HA ARG 57 7.534 -0.664 3.783 451 1HB ARG 57 2HB ARG 57 7.703 -3.031 3.936 452 2HB ARG 57 1HB ARG 57 9.316 -2.398 3.669 453 1HG ARG 57 1HG ARG 57 9.549 -2.529 6.298 454 2HG ARG 57 2HG ARG 57 8.160 -3.611 6.198 455 1HD ARG 57 1HD ARG 57 9.371 -5.026 4.558 456 2HD ARG 57 2HD ARG 57 10.787 -3.975 4.676 457 HE ARG 57 HE ARG 57 9.918 -6.028 6.527 458 1HH1 ARG 57 1HH1 ARG 57 11.720 -2.948 6.369 459 2HH1 ARG 57 2HH1 ARG 57 12.770 -3.372 7.687 460 1HH2 ARG 57 1HH2 ARG 57 11.255 -6.517 8.287 461 2HH2 ARG 57 2HH2 ARG 57 12.478 -5.396 8.822 462 H CYS 58 H CYS 58 7.245 1.048 6.158 463 HA CYS 58 HA CYS 58 5.649 -0.123 8.123 464 1HB CYS 58 1HB CYS 58 4.438 2.054 8.113 465 2HB CYS 58 2HB CYS 58 6.181 2.240 8.146 466 H ASN 59 H ASN 59 4.943 0.303 4.690 467 HA ASN 59 HA ASN 59 2.072 0.146 4.972 468 1HB ASN 59 2HB ASN 59 1.999 0.306 2.636 469 2HB ASN 59 1HB ASN 59 3.221 1.453 3.177 470 1HD2 ASN 59 2HD2 ASN 59 4.136 -0.705 0.095 471 2HD2 ASN 59 1HD2 ASN 59 2.963 0.498 0.541 472 H LYS 60 H LYS 60 2.819 -1.988 6.326 473 HA LYS 60 HA LYS 60 3.056 -4.421 4.755 474 1HB LYS 60 1HB LYS 60 2.705 -5.567 6.877 475 2HB LYS 60 2HB LYS 60 3.935 -4.301 7.018 476 1HG LYS 60 1HG LYS 60 2.271 -2.797 8.095 477 2HG LYS 60 2HG LYS 60 1.036 -4.058 7.921 478 1HD LYS 60 2HD LYS 60 2.340 -5.565 9.379 479 2HD LYS 60 1HD LYS 60 3.647 -4.373 9.473 480 1HE LYS 60 2HE LYS 60 2.284 -4.282 11.504 481 2HE LYS 60 1HE LYS 60 2.141 -2.765 10.602 482 1HZ LYS 60 1HZ LYS 60 0.197 -4.970 10.555 483 2HZ LYS 60 3HZ LYS 60 0.033 -3.561 11.393 484 3HZ LYS 60 2HZ LYS 60 0.052 -3.542 9.746 Start of MODEL 8 Raw file had 484 H/Q atoms Start of MODEL 8 1 NH1 ARG 1 NH1 ARG 1 11.028 5.407 4.157 2 NH2 ARG 1 NH2 ARG 1 12.838 4.150 4.884 3 1H ARG 1 1H ARG 1 14.105 2.425 -0.567 4 2H ARG 1 3H ARG 1 13.042 3.392 -1.373 5 3H ARG 1 2H ARG 1 14.018 4.039 -0.214 6 HA ARG 1 HA ARG 1 12.944 2.730 1.470 7 1HB ARG 1 1HB ARG 1 12.097 4.917 1.284 8 2HB ARG 1 2HB ARG 1 11.396 4.628 -0.301 9 1HG ARG 1 1HG ARG 1 9.756 4.969 1.510 10 2HG ARG 1 2HG ARG 1 9.508 3.521 0.562 11 1HD ARG 1 2HD ARG 1 9.252 3.495 3.189 12 2HD ARG 1 1HD ARG 1 9.924 2.128 2.335 13 HE ARG 1 HE ARG 1 11.921 2.417 3.376 14 1HH1 ARG 1 2HH1 ARG 1 10.174 5.486 3.616 15 2HH1 ARG 1 1HH1 ARG 1 11.323 6.225 4.683 16 1HH2 ARG 1 1HH2 ARG 1 13.323 3.255 4.930 17 2HH2 ARG 1 2HH2 ARG 1 13.164 4.916 5.454 18 H ILE 2 H ILE 2 12.241 0.573 1.692 19 HA ILE 2 HA ILE 2 11.142 -0.770 -0.682 20 HB ILE 2 HB ILE 2 11.495 -1.758 2.184 21 1HG1 ILE 2 2HG1 ILE 2 13.675 -1.170 1.279 22 2HG1 ILE 2 1HG1 ILE 2 13.494 -2.920 1.353 23 1HG2 ILE 2 1HG2 ILE 2 10.811 -3.211 -0.402 24 2HG2 ILE 2 3HG2 ILE 2 11.420 -4.025 1.055 25 3HG2 ILE 2 2HG2 ILE 2 9.886 -3.160 1.106 26 1HD1 ILE 2 1HD1 ILE 2 12.925 -2.928 -1.099 27 2HD1 ILE 2 2HD1 ILE 2 13.252 -1.177 -1.132 28 3HD1 ILE 2 3HD1 ILE 2 14.548 -2.315 -0.730 29 H CYS 3 H CYS 3 9.030 -1.010 -1.189 30 HA CYS 3 HA CYS 3 7.000 -0.709 0.982 31 1HB CYS 3 2HB CYS 3 6.898 0.381 -1.865 32 2HB CYS 3 1HB CYS 3 5.563 0.416 -0.705 33 OH TYR 4 OH TYR 4 6.263 -8.041 4.366 34 H TYR 4 H TYR 4 5.261 -2.167 0.792 35 HA TYR 4 HA TYR 4 5.647 -4.440 -1.032 36 1HB TYR 4 2HB TYR 4 3.630 -3.673 1.113 37 2HB TYR 4 1HB TYR 4 3.386 -5.078 0.095 38 HD1 TYR 4 HD1 TYR 4 4.936 -7.023 0.159 39 HD2 TYR 4 HD2 TYR 4 4.943 -3.877 3.111 40 HE1 TYR 4 HE1 TYR 4 5.961 -8.559 1.799 41 HE2 TYR 4 HE2 TYR 4 5.746 -5.482 4.804 42 HH TYR 4 HH TYR 4 5.766 -8.863 4.243 43 H SER 5 H SER 5 3.673 -5.132 -2.415 44 HA SER 5 HA SER 5 1.873 -2.883 -3.051 45 1HB SER 5 1HB SER 5 3.576 -4.271 -5.139 46 2HB SER 5 2HB SER 5 2.296 -3.072 -5.431 47 HG SER 5 HG SER 5 3.808 -1.980 -3.631 48 H HIS 6 H HIS 6 2.407 -6.420 -3.418 49 HA HIS 6 HA HIS 6 -0.127 -6.713 -4.746 50 1HB HIS 6 2HB HIS 6 0.263 -8.964 -4.829 51 2HB HIS 6 1HB HIS 6 1.874 -8.325 -4.788 52 HD1 HIS 6 HD1 HIS 6 -0.233 -10.810 -3.289 53 HD2 HIS 6 HD2 HIS 6 3.259 -8.758 -2.230 54 HE1 HIS 6 HE1 HIS 6 0.847 -12.102 -1.401 55 H LYS 7 H LYS 7 -1.461 -8.735 -3.694 56 HA LYS 7 HA LYS 7 -3.323 -7.474 -2.000 57 1HB LYS 7 2HB LYS 7 -4.489 -9.604 -2.055 58 2HB LYS 7 1HB LYS 7 -3.904 -9.178 -3.652 59 1HG LYS 7 1HG LYS 7 -2.579 -10.999 -3.809 60 2HG LYS 7 2HG LYS 7 -1.966 -10.859 -2.150 61 1HD LYS 7 1HD LYS 7 -4.754 -11.892 -2.725 62 2HD LYS 7 2HD LYS 7 -3.330 -12.943 -2.709 63 1HE LYS 7 1HE LYS 7 -2.795 -12.299 -0.395 64 2HE LYS 7 2HE LYS 7 -4.169 -11.186 -0.349 65 1HZ LYS 7 2HZ LYS 7 -4.346 -14.088 -0.720 66 2HZ LYS 7 3HZ LYS 7 -4.690 -13.256 0.660 67 3HZ LYS 7 1HZ LYS 7 -5.620 -13.042 -0.681 68 H ALA 8 H ALA 8 -0.369 -8.692 -0.825 69 HA ALA 8 HA ALA 8 -1.393 -8.654 1.863 70 1HB ALA 8 1HB ALA 8 -0.356 -11.302 0.748 71 2HB ALA 8 3HB ALA 8 -0.633 -10.951 2.466 72 3HB ALA 8 2HB ALA 8 -2.000 -10.977 1.350 73 H SER 9 H SER 9 0.417 -9.047 3.411 74 HA SER 9 HA SER 9 2.770 -7.620 2.606 75 1HB SER 9 2HB SER 9 2.842 -8.777 5.294 76 2HB SER 9 1HB SER 9 2.698 -7.101 4.789 77 HG SER 9 HG SER 9 0.561 -7.263 4.916 78 H LEU 10 H LEU 10 2.798 -9.938 1.040 79 HA LEU 10 HA LEU 10 4.923 -11.647 2.305 80 1HB LEU 10 2HB LEU 10 2.889 -12.419 0.183 81 2HB LEU 10 1HB LEU 10 4.094 -13.478 0.879 82 HG LEU 10 HG LEU 10 1.765 -12.219 2.397 83 1HD1 LEU 10 2HD2 LEU 10 1.071 -13.920 0.756 84 2HD1 LEU 10 1HD2 LEU 10 2.235 -15.072 1.446 85 3HD1 LEU 10 3HD2 LEU 10 0.862 -14.500 2.417 86 1HD2 LEU 10 2HD1 LEU 10 3.872 -14.249 3.276 87 2HD2 LEU 10 3HD1 LEU 10 3.651 -12.610 3.929 88 3HD2 LEU 10 1HD1 LEU 10 2.407 -13.834 4.190 89 HA PRO 11 HA PRO 11 7.373 -10.203 -1.051 90 1HB PRO 11 1HB PRO 11 8.991 -12.218 -1.758 91 2HB PRO 11 2HB PRO 11 9.167 -11.352 -0.200 92 1HG PRO 11 2HG PRO 11 7.769 -14.003 -0.666 93 2HG PRO 11 1HG PRO 11 8.928 -13.592 0.631 94 1HD PRO 11 2HD PRO 11 6.247 -13.537 1.044 95 2HD PRO 11 1HD PRO 11 7.298 -12.301 1.786 96 NH1 ARG 12 NH1 ARG 12 3.988 -10.225 -8.817 97 NH2 ARG 12 NH2 ARG 12 6.197 -9.540 -8.693 98 H ARG 12 H ARG 12 6.602 -9.822 -2.953 99 HA ARG 12 HA ARG 12 6.388 -11.489 -5.115 100 1HB ARG 12 2HB ARG 12 4.407 -12.511 -4.083 101 2HB ARG 12 1HB ARG 12 3.638 -10.948 -3.912 102 1HG ARG 12 2HG ARG 12 2.812 -12.456 -5.734 103 2HG ARG 12 1HG ARG 12 3.193 -10.843 -6.291 104 1HD ARG 12 1HD ARG 12 5.099 -13.212 -6.528 105 2HD ARG 12 2HD ARG 12 3.948 -12.781 -7.786 106 HE ARG 12 HE ARG 12 6.479 -11.536 -7.242 107 1HH1 ARG 12 1HH1 ARG 12 3.269 -10.881 -8.554 108 2HH1 ARG 12 2HH1 ARG 12 3.767 -9.469 -9.446 109 1HH2 ARG 12 1HH2 ARG 12 7.124 -9.650 -8.307 110 2HH2 ARG 12 2HH2 ARG 12 6.015 -8.775 -9.326 111 H ALA 13 H ALA 13 3.727 -9.249 -5.308 112 HA ALA 13 HA ALA 13 5.442 -7.394 -6.739 113 1HB ALA 13 2HB ALA 13 2.957 -7.807 -7.236 114 2HB ALA 13 1HB ALA 13 2.628 -6.686 -5.890 115 3HB ALA 13 3HB ALA 13 3.572 -6.147 -7.266 116 H THR 14 H THR 14 6.872 -6.324 -5.646 117 HA THR 14 HA THR 14 6.332 -4.745 -3.244 118 HB THR 14 HB THR 14 8.647 -5.620 -2.466 119 HG1 THR 14 HG1 THR 14 7.956 -7.710 -4.297 120 1HG2 THR 14 1HG2 THR 14 6.325 -7.615 -2.458 121 2HG2 THR 14 3HG2 THR 14 7.779 -7.711 -1.444 122 3HG2 THR 14 2HG2 THR 14 6.668 -6.356 -1.256 123 H LYS 15 H LYS 15 8.039 -2.965 -3.216 124 HA LYS 15 HA LYS 15 9.798 -2.856 -5.579 125 1HB LYS 15 2HB LYS 15 8.790 -0.678 -6.357 126 2HB LYS 15 1HB LYS 15 7.812 -2.118 -6.646 127 1HG LYS 15 1HG LYS 15 6.381 -1.586 -4.710 128 2HG LYS 15 2HG LYS 15 7.411 -0.225 -4.282 129 1HD LYS 15 2HD LYS 15 5.332 0.457 -5.437 130 2HD LYS 15 1HD LYS 15 6.795 0.994 -6.279 131 1HE LYS 15 1HE LYS 15 4.977 0.135 -7.784 132 2HE LYS 15 2HE LYS 15 6.524 -0.690 -7.997 133 1HZ LYS 15 2HZ LYS 15 4.327 -1.722 -6.336 134 2HZ LYS 15 1HZ LYS 15 4.611 -2.174 -7.903 135 3HZ LYS 15 3HZ LYS 15 5.718 -2.495 -6.725 136 H THR 16 H THR 16 11.304 -1.281 -5.601 137 HA THR 16 HA THR 16 12.036 -0.106 -3.015 138 HB THR 16 HB THR 16 13.499 -0.076 -5.694 139 HG1 THR 16 HG1 THR 16 13.493 -1.970 -3.582 140 1HG2 THR 16 2HG2 THR 16 14.479 0.217 -2.809 141 2HG2 THR 16 3HG2 THR 16 15.493 0.192 -4.264 142 3HG2 THR 16 1HG2 THR 16 14.361 1.530 -4.006 143 H CYS 17 H CYS 17 10.641 1.605 -2.709 144 HA CYS 17 HA CYS 17 9.937 3.507 -4.797 145 1HB CYS 17 1HB CYS 17 8.630 2.798 -2.623 146 2HB CYS 17 2HB CYS 17 9.735 4.020 -1.924 147 H VAL 18 H VAL 18 10.250 5.736 -4.319 148 HA VAL 18 HA VAL 18 13.026 6.534 -3.594 149 HB VAL 18 HB VAL 18 12.385 8.525 -5.047 150 1HG1 VAL 18 2HG1 VAL 18 14.016 6.797 -5.727 151 2HG1 VAL 18 3HG1 VAL 18 12.698 5.795 -6.372 152 3HG1 VAL 18 1HG1 VAL 18 13.081 7.358 -7.123 153 1HG2 VAL 18 3HG2 VAL 18 9.952 8.157 -5.318 154 2HG2 VAL 18 1HG2 VAL 18 10.800 8.213 -6.861 155 3HG2 VAL 18 2HG2 VAL 18 10.283 6.654 -6.213 156 H GLU 19 H GLU 19 9.550 7.261 -3.378 157 HA GLU 19 HA GLU 19 9.847 9.555 -1.659 158 1HB GLU 19 1HB GLU 19 7.557 7.692 -2.424 159 2HB GLU 19 2HB GLU 19 7.355 8.716 -1.025 160 1HG GLU 19 1HG GLU 19 8.075 9.697 -3.788 161 2HG GLU 19 2HG GLU 19 6.460 9.768 -3.077 162 H ASN 20 H ASN 20 9.620 9.661 0.560 163 HA ASN 20 HA ASN 20 10.700 7.447 2.068 164 1HB ASN 20 2HB ASN 20 11.113 9.740 2.765 165 2HB ASN 20 1HB ASN 20 9.378 10.070 2.877 166 1HD2 ASN 20 2HD2 ASN 20 9.208 8.997 6.224 167 2HD2 ASN 20 1HD2 ASN 20 8.503 9.934 4.922 168 H THR 21 H THR 21 7.433 8.332 1.029 169 HA THR 21 HA THR 21 6.218 6.761 3.199 170 HB THR 21 HB THR 21 4.136 7.790 2.117 171 HG1 THR 21 HG1 THR 21 4.690 9.694 0.867 172 1HG2 THR 21 1HG2 THR 21 5.145 8.655 4.208 173 2HG2 THR 21 2HG2 THR 21 6.254 9.673 3.262 174 3HG2 THR 21 3HG2 THR 21 4.505 9.973 3.211 175 H CYS 22 H CYS 22 4.805 5.155 2.810 176 HA CYS 22 HA CYS 22 4.589 3.966 0.094 177 1HB CYS 22 1HB CYS 22 4.491 2.362 2.667 178 2HB CYS 22 2HB CYS 22 4.500 1.796 1.014 179 OH TYR 23 OH TYR 23 -0.809 2.146 -5.288 180 H TYR 23 H TYR 23 2.461 2.681 0.112 181 HA TYR 23 HA TYR 23 0.490 3.757 2.076 182 1HB TYR 23 1HB TYR 23 -1.184 4.033 0.405 183 2HB TYR 23 2HB TYR 23 0.227 4.977 0.028 184 HD1 TYR 23 HD1 TYR 23 -1.751 1.945 -0.853 185 HD2 TYR 23 HD2 TYR 23 1.470 4.505 -2.136 186 HE1 TYR 23 HE1 TYR 23 -2.049 1.162 -3.172 187 HE2 TYR 23 HE2 TYR 23 0.999 3.896 -4.489 188 HH TYR 23 HH TYR 23 -1.477 1.456 -5.394 189 H LYS 24 H LYS 24 -1.322 2.555 2.205 190 HA LYS 24 HA LYS 24 -1.315 -0.189 1.121 191 1HB LYS 24 1HB LYS 24 -2.470 -0.799 3.375 192 2HB LYS 24 2HB LYS 24 -0.702 -0.780 3.219 193 1HG LYS 24 2HG LYS 24 -0.455 1.171 4.498 194 2HG LYS 24 1HG LYS 24 -2.142 1.634 4.268 195 1HD LYS 24 1HD LYS 24 -1.819 0.782 6.544 196 2HD LYS 24 2HD LYS 24 -2.917 -0.253 5.619 197 1HE LYS 24 2HE LYS 24 -1.014 -1.837 5.163 198 2HE LYS 24 1HE LYS 24 0.044 -0.820 6.154 199 1HZ LYS 24 3HZ LYS 24 -2.401 -2.137 7.088 200 2HZ LYS 24 2HZ LYS 24 -0.876 -2.746 7.209 201 3HZ LYS 24 1HZ LYS 24 -1.281 -1.353 8.021 202 H MET 25 H MET 25 -3.155 -0.570 0.146 203 HA MET 25 HA MET 25 -5.316 1.475 0.155 204 1HB MET 25 2HB MET 25 -4.008 1.488 -1.878 205 2HB MET 25 1HB MET 25 -4.298 -0.240 -2.023 206 1HG MET 25 1HG MET 25 -6.762 0.234 -2.206 207 2HG MET 25 2HG MET 25 -6.399 1.959 -2.185 208 1HE MET 25 1HE MET 25 -4.027 2.426 -4.068 209 2HE MET 25 2HE MET 25 -4.740 2.440 -5.693 210 3HE MET 25 3HE MET 25 -5.571 3.270 -4.360 211 H PHE 26 H PHE 26 -7.353 0.810 0.497 212 HA PHE 26 HA PHE 26 -7.981 -2.108 0.516 213 1HB PHE 26 1HB PHE 26 -9.447 -1.493 2.515 214 2HB PHE 26 2HB PHE 26 -7.727 -1.665 2.788 215 HD1 PHE 26 HD2 PHE 26 -6.213 0.262 3.047 216 HD2 PHE 26 HD1 PHE 26 -10.479 0.822 2.763 217 HE1 PHE 26 HE2 PHE 26 -5.995 2.618 3.708 218 HE2 PHE 26 HE1 PHE 26 -10.261 3.002 3.917 219 HZ PHE 26 HZ PHE 26 -7.946 3.889 4.463 220 H ILE 27 H ILE 27 -9.963 -2.613 -0.341 221 HA ILE 27 HA ILE 27 -11.306 -0.607 -1.894 222 HB ILE 27 HB ILE 27 -12.138 -3.362 -0.940 223 1HG1 ILE 27 2HG1 ILE 27 -11.372 -2.248 -3.679 224 2HG1 ILE 27 1HG1 ILE 27 -10.254 -3.118 -2.621 225 1HG2 ILE 27 1HG2 ILE 27 -14.175 -1.926 -1.346 226 2HG2 ILE 27 2HG2 ILE 27 -13.617 -1.677 -3.008 227 3HG2 ILE 27 3HG2 ILE 27 -14.053 -3.298 -2.430 228 1HD1 ILE 27 3HD1 ILE 27 -11.689 -5.146 -2.804 229 2HD1 ILE 27 1HD1 ILE 27 -12.729 -4.280 -3.959 230 3HD1 ILE 27 2HD1 ILE 27 -11.036 -4.594 -4.354 231 NH1 ARG 28 NH2 ARG 28 -14.735 7.377 -2.041 232 NH2 ARG 28 NH1 ARG 28 -12.602 6.816 -2.754 233 H ARG 28 H ARG 28 -12.886 0.744 -1.358 234 HA ARG 28 HA ARG 28 -12.887 1.740 1.225 235 1HB ARG 28 1HB ARG 28 -13.363 2.840 -1.057 236 2HB ARG 28 2HB ARG 28 -15.035 2.280 -0.900 237 1HG ARG 28 2HG ARG 28 -15.270 3.626 1.172 238 2HG ARG 28 1HG ARG 28 -13.561 4.080 1.072 239 1HD ARG 28 1HD ARG 28 -15.719 4.790 -0.949 240 2HD ARG 28 2HD ARG 28 -15.035 5.872 0.277 241 HE ARG 28 HE ARG 28 -12.922 4.807 -1.354 242 1HH1 ARG 28 2HH2 ARG 28 -15.552 7.163 -1.490 243 2HH1 ARG 28 1HH2 ARG 28 -14.709 8.228 -2.583 244 1HH2 ARG 28 2HH1 ARG 28 -11.814 6.171 -2.742 245 2HH2 ARG 28 1HH1 ARG 28 -12.501 7.674 -3.276 246 H THR 29 H THR 29 -15.131 -0.657 -0.032 247 HA THR 29 HA THR 29 -17.129 -0.226 2.042 248 HB THR 29 HB THR 29 -17.856 -2.527 1.185 249 HG1 THR 29 HG1 THR 29 -16.779 -3.152 -0.765 250 1HG2 THR 29 3HG2 THR 29 -18.795 -0.413 0.269 251 2HG2 THR 29 1HG2 THR 29 -17.470 -0.330 -0.911 252 3HG2 THR 29 2HG2 THR 29 -18.648 -1.656 -0.987 253 H HIS 30 H HIS 30 -14.945 -2.926 1.342 254 HA HIS 30 HA HIS 30 -14.995 -3.741 4.224 255 1HB HIS 30 2HB HIS 30 -13.895 -5.783 3.484 256 2HB HIS 30 1HB HIS 30 -15.461 -5.513 2.717 257 HD1 HIS 30 HD1 HIS 30 -11.765 -5.019 1.897 258 HD2 HIS 30 HD2 HIS 30 -15.387 -5.921 0.004 259 HE1 HIS 30 HE1 HIS 30 -11.214 -5.795 -0.488 260 NH1 ARG 31 NH2 ARG 31 -12.420 3.875 5.548 261 NH2 ARG 31 NH1 ARG 31 -13.888 3.426 3.842 262 H ARG 31 H ARG 31 -13.922 -1.502 4.350 263 HA ARG 31 HA ARG 31 -11.285 -1.105 3.630 264 1HB ARG 31 1HB ARG 31 -11.262 0.603 5.404 265 2HB ARG 31 2HB ARG 31 -12.687 0.635 4.366 266 1HG ARG 31 1HG ARG 31 -14.004 -0.502 6.189 267 2HG ARG 31 2HG ARG 31 -12.553 -0.501 7.213 268 1HD ARG 31 1HD ARG 31 -14.121 1.379 7.712 269 2HD ARG 31 2HD ARG 31 -12.506 1.916 7.244 270 HE ARG 31 HE ARG 31 -14.881 1.789 5.401 271 1HH1 ARG 31 2HH2 ARG 31 -12.087 3.740 6.489 272 2HH1 ARG 31 1HH2 ARG 31 -11.979 4.559 4.940 273 1HH2 ARG 31 2HH1 ARG 31 -14.562 2.800 3.406 274 2HH2 ARG 31 1HH1 ARG 31 -13.409 4.131 3.296 275 H GLU 32 H GLU 32 -12.439 -3.116 6.272 276 HA GLU 32 HA GLU 32 -9.911 -3.208 7.673 277 1HB GLU 32 1HB GLU 32 -12.369 -5.023 7.824 278 2HB GLU 32 2HB GLU 32 -11.049 -4.919 8.995 279 1HG GLU 32 1HG GLU 32 -11.590 -2.484 9.329 280 2HG GLU 32 2HG GLU 32 -13.037 -2.701 8.330 281 OH TYR 33 OH TYR 33 -6.057 -8.913 -0.080 282 H TYR 33 H TYR 33 -9.525 -3.783 4.931 283 HA TYR 33 HA TYR 33 -7.914 -6.145 5.173 284 1HB TYR 33 2HB TYR 33 -9.934 -7.298 4.572 285 2HB TYR 33 1HB TYR 33 -10.301 -6.142 3.287 286 HD1 TYR 33 HD2 TYR 33 -7.273 -8.229 4.251 287 HD2 TYR 33 HD1 TYR 33 -9.982 -7.002 1.133 288 HE1 TYR 33 HE2 TYR 33 -5.694 -9.070 2.542 289 HE2 TYR 33 HE1 TYR 33 -8.445 -7.940 -0.567 290 HH TYR 33 HH TYR 33 -5.143 -8.914 0.236 291 H ILE 34 H ILE 34 -6.057 -5.511 4.220 292 HA ILE 34 HA ILE 34 -6.009 -3.194 2.436 293 HB ILE 34 HB ILE 34 -3.769 -5.035 3.330 294 1HG1 ILE 34 1HG1 ILE 34 -4.669 -4.166 5.350 295 2HG1 ILE 34 2HG1 ILE 34 -3.223 -3.242 4.971 296 1HG2 ILE 34 3HG2 ILE 34 -3.800 -2.209 2.162 297 2HG2 ILE 34 1HG2 ILE 34 -2.355 -3.077 2.745 298 3HG2 ILE 34 2HG2 ILE 34 -3.253 -3.669 1.343 299 1HD1 ILE 34 3HD1 ILE 34 -4.689 -1.383 4.097 300 2HD1 ILE 34 1HD1 ILE 34 -6.113 -2.322 4.599 301 3HD1 ILE 34 2HD1 ILE 34 -4.953 -1.762 5.805 302 H SER 35 H SER 35 -6.497 -3.435 0.395 303 HA SER 35 HA SER 35 -6.650 -6.074 -0.893 304 1HB SER 35 1HB SER 35 -7.477 -3.380 -2.021 305 2HB SER 35 2HB SER 35 -8.100 -4.989 -2.422 306 HG SER 35 HG SER 35 -8.512 -4.692 0.160 307 H GLU 36 H GLU 36 -4.748 -3.071 -1.070 308 HA GLU 36 HA GLU 36 -2.864 -4.293 -2.966 309 1HB GLU 36 1HB GLU 36 -4.349 -3.265 -4.560 310 2HB GLU 36 2HB GLU 36 -4.583 -1.841 -3.553 311 1HG GLU 36 2HG GLU 36 -2.209 -1.166 -3.965 312 2HG GLU 36 1HG GLU 36 -2.029 -2.554 -5.057 313 NH1 ARG 37 NH1 ARG 37 -1.424 -5.960 2.634 314 NH2 ARG 37 NH2 ARG 37 -2.381 -6.077 0.516 315 H ARG 37 H ARG 37 -0.859 -2.862 -2.996 316 HA ARG 37 HA ARG 37 -0.715 -0.840 -0.832 317 1HB ARG 37 1HB ARG 37 0.811 -3.452 -1.043 318 2HB ARG 37 2HB ARG 37 1.644 -2.018 -0.445 319 1HG ARG 37 1HG ARG 37 0.556 -1.894 1.476 320 2HG ARG 37 2HG ARG 37 -0.954 -2.545 0.848 321 1HD ARG 37 1HD ARG 37 1.498 -4.285 1.311 322 2HD ARG 37 2HD ARG 37 0.222 -4.025 2.491 323 HE ARG 37 HE ARG 37 -0.272 -5.144 -0.258 324 1HH1 ARG 37 1HH1 ARG 37 -0.642 -5.716 3.254 325 2HH1 ARG 37 2HH1 ARG 37 -2.218 -6.425 3.041 326 1HH2 ARG 37 1HH2 ARG 37 -2.235 -5.968 -0.482 327 2HH2 ARG 37 2HH2 ARG 37 -3.259 -6.454 0.868 328 H GLY 38 H GLY 38 1.453 0.376 -1.075 329 1HA GLY 38 2HA GLY 38 2.931 0.030 -3.492 330 2HA GLY 38 1HA GLY 38 1.703 1.225 -3.828 331 H CYS 39 H CYS 39 3.640 2.397 -4.343 332 HA CYS 39 HA CYS 39 5.448 3.430 -2.274 333 1HB CYS 39 1HB CYS 39 6.482 2.411 -4.090 334 2HB CYS 39 2HB CYS 39 5.341 3.125 -5.212 335 H GLY 40 H GLY 40 5.696 5.703 -1.855 336 1HA GLY 40 1HA GLY 40 5.060 7.843 -1.615 337 2HA GLY 40 2HA GLY 40 5.069 7.865 -3.354 338 H CYS 41 H CYS 41 3.283 7.083 -0.848 339 HA CYS 41 HA CYS 41 0.732 6.442 -1.348 340 1HB CYS 41 1HB CYS 41 1.618 6.864 0.908 341 2HB CYS 41 2HB CYS 41 1.431 8.600 0.642 342 HA PRO 42 HA PRO 42 -1.061 9.989 -3.549 343 1HB PRO 42 1HB PRO 42 -2.135 8.732 -5.667 344 2HB PRO 42 2HB PRO 42 -0.360 8.833 -5.503 345 1HG PRO 42 2HG PRO 42 -2.172 6.514 -4.755 346 2HG PRO 42 1HG PRO 42 -0.661 6.459 -5.707 347 1HD PRO 42 1HD PRO 42 -0.877 6.015 -2.947 348 2HD PRO 42 2HD PRO 42 0.635 6.506 -3.778 349 H THR 43 H THR 43 -3.481 10.071 -4.442 350 HA THR 43 HA THR 43 -5.251 9.272 -2.231 351 HB THR 43 HB THR 43 -5.475 11.471 -3.295 352 HG1 THR 43 HG1 THR 43 -7.712 11.357 -3.474 353 1HG2 THR 43 2HG2 THR 43 -4.929 10.885 -5.674 354 2HG2 THR 43 1HG2 THR 43 -6.435 9.950 -5.778 355 3HG2 THR 43 3HG2 THR 43 -6.489 11.702 -5.535 356 H ALA 44 H ALA 44 -7.554 8.619 -3.468 357 HA ALA 44 HA ALA 44 -7.171 6.354 -5.299 358 1HB ALA 44 1HB ALA 44 -8.095 5.920 -2.441 359 2HB ALA 44 3HB ALA 44 -8.176 4.702 -3.736 360 3HB ALA 44 2HB ALA 44 -6.602 5.291 -3.166 361 H MET 45 H MET 45 -8.922 6.249 -6.592 362 HA MET 45 HA MET 45 -11.224 7.965 -6.057 363 1HB MET 45 1HB MET 45 -10.529 6.078 -8.358 364 2HB MET 45 2HB MET 45 -11.859 7.243 -8.331 365 1HG MET 45 1HG MET 45 -8.896 7.928 -8.235 366 2HG MET 45 2HG MET 45 -9.980 8.117 -9.611 367 1HE MET 45 1HE MET 45 -9.018 10.562 -9.885 368 2HE MET 45 2HE MET 45 -9.061 11.784 -8.593 369 3HE MET 45 3HE MET 45 -8.010 10.358 -8.428 370 CH2 TRP 46 CH2 TRP 46 -20.215 3.208 -6.820 371 H TRP 46 H TRP 46 -13.429 6.978 -6.513 372 HA TRP 46 HA TRP 46 -13.959 4.973 -4.583 373 1HB TRP 46 1HB TRP 46 -15.579 6.767 -5.544 374 2HB TRP 46 2HB TRP 46 -15.645 5.790 -6.974 375 HD1 TRP 46 HD1 TRP 46 -16.218 5.043 -3.193 376 HE1 TRP 46 HE1 TRP 46 -18.423 3.683 -2.977 377 HE3 TRP 46 HE3 TRP 46 -17.578 5.041 -8.035 378 HZ2 TRP 46 HZ2 TRP 46 -20.487 2.715 -4.732 379 HZ3 TRP 46 HZ3 TRP 46 -19.689 3.888 -8.802 380 HH2 TRP 46 HH2 TRP 46 -21.127 2.725 -7.141 381 HA PRO 47 HA PRO 47 -14.861 3.117 -4.014 382 1HB PRO 47 2HB PRO 47 -15.474 0.558 -3.800 383 2HB PRO 47 1HB PRO 47 -16.328 1.551 -5.009 384 1HG PRO 47 2HG PRO 47 -13.924 -0.248 -5.500 385 2HG PRO 47 1HG PRO 47 -15.483 -0.250 -6.373 386 1HD PRO 47 1HD PRO 47 -13.242 1.183 -7.212 387 2HD PRO 47 2HD PRO 47 -14.916 1.680 -7.565 388 OH TYR 48 OH TYR 48 -9.910 -2.573 -7.131 389 H TYR 48 H TYR 48 -12.043 3.579 -4.293 390 HA TYR 48 HA TYR 48 -10.935 1.521 -2.414 391 1HB TYR 48 1HB TYR 48 -9.602 3.014 -4.703 392 2HB TYR 48 2HB TYR 48 -8.740 2.144 -3.435 393 HD1 TYR 48 HD2 TYR 48 -8.758 -0.321 -3.349 394 HD2 TYR 48 HD1 TYR 48 -10.874 1.815 -6.437 395 HE1 TYR 48 HE2 TYR 48 -8.751 -2.355 -4.756 396 HE2 TYR 48 HE1 TYR 48 -10.972 -0.264 -7.796 397 HH TYR 48 HH TYR 48 -9.445 -3.313 -6.736 398 H GLN 49 H GLN 49 -9.513 2.282 -0.827 399 HA GLN 49 HA GLN 49 -9.114 5.220 -0.638 400 1HB GLN 49 2HB GLN 49 -10.694 3.557 1.145 401 2HB GLN 49 1HB GLN 49 -9.414 4.472 1.962 402 1HG GLN 49 1HG GLN 49 -10.197 6.564 0.955 403 2HG GLN 49 2HG GLN 49 -11.433 5.685 0.041 404 1HE2 GLN 49 2HE2 GLN 49 -13.426 6.976 2.751 405 2HE2 GLN 49 1HE2 GLN 49 -12.830 7.364 1.146 406 H THR 50 H THR 50 -7.019 5.694 -0.279 407 HA THR 50 HA THR 50 -5.107 3.598 0.527 408 HB THR 50 HB THR 50 -3.578 5.712 -0.058 409 HG1 THR 50 HG1 THR 50 -4.496 7.031 -1.541 410 1HG2 THR 50 3HG2 THR 50 -4.983 3.982 -2.120 411 2HG2 THR 50 1HG2 THR 50 -3.513 4.945 -2.420 412 3HG2 THR 50 2HG2 THR 50 -3.484 3.620 -1.242 413 H GLU 51 H GLU 51 -3.839 3.776 2.347 414 HA GLU 51 HA GLU 51 -3.959 6.283 3.928 415 1HB GLU 51 2HB GLU 51 -4.293 5.257 5.974 416 2HB GLU 51 1HB GLU 51 -5.579 4.668 4.921 417 1HG GLU 51 1HG GLU 51 -4.053 2.601 4.528 418 2HG GLU 51 2HG GLU 51 -3.057 3.318 5.793 419 H CYS 52 H CYS 52 -1.947 6.906 4.552 420 HA CYS 52 HA CYS 52 0.239 5.538 3.208 421 1HB CYS 52 2HB CYS 52 0.328 8.067 4.805 422 2HB CYS 52 1HB CYS 52 1.389 7.571 3.489 423 H CYS 53 H CYS 53 2.391 5.459 4.244 424 HA CYS 53 HA CYS 53 2.687 5.754 7.106 425 1HB CYS 53 2HB CYS 53 3.444 3.514 7.587 426 2HB CYS 53 1HB CYS 53 1.771 3.454 7.015 427 H LYS 54 H LYS 54 5.123 5.325 7.619 428 HA LYS 54 HA LYS 54 6.843 5.798 5.262 429 1HB LYS 54 1HB LYS 54 8.145 7.174 6.921 430 2HB LYS 54 2HB LYS 54 6.699 7.941 6.246 431 1HG LYS 54 2HG LYS 54 5.454 7.526 8.289 432 2HG LYS 54 1HG LYS 54 6.778 6.578 8.987 433 1HD LYS 54 2HD LYS 54 7.005 9.526 8.214 434 2HD LYS 54 1HD LYS 54 6.521 8.957 9.818 435 1HE LYS 54 2HE LYS 54 8.669 7.732 10.062 436 2HE LYS 54 1HE LYS 54 9.210 8.355 8.495 437 1HZ LYS 54 1HZ LYS 54 8.516 9.982 10.831 438 2HZ LYS 54 2HZ LYS 54 10.035 9.657 10.284 439 3HZ LYS 54 3HZ LYS 54 9.008 10.564 9.369 440 H GLY 55 H GLY 55 8.896 4.896 5.477 441 1HA GLY 55 2HA GLY 55 10.608 3.786 6.709 442 2HA GLY 55 1HA GLY 55 9.436 3.036 7.782 443 H ASP 56 H ASP 56 11.476 1.726 6.233 444 HA ASP 56 HA ASP 56 10.509 0.576 3.854 445 1HB ASP 56 1HB ASP 56 12.284 -0.644 5.838 446 2HB ASP 56 2HB ASP 56 12.154 -1.142 4.185 447 NH1 ARG 57 NH1 ARG 57 10.526 -7.078 6.114 448 NH2 ARG 57 NH2 ARG 57 9.069 -8.345 4.823 449 H ARG 57 H ARG 57 9.500 -1.241 3.448 450 HA ARG 57 HA ARG 57 7.516 -2.312 3.502 451 1HB ARG 57 2HB ARG 57 7.865 -4.402 4.313 452 2HB ARG 57 1HB ARG 57 9.462 -3.838 3.957 453 1HG ARG 57 1HG ARG 57 10.183 -4.343 5.997 454 2HG ARG 57 2HG ARG 57 9.036 -3.238 6.735 455 1HD ARG 57 2HD ARG 57 8.795 -5.495 7.673 456 2HD ARG 57 1HD ARG 57 7.328 -4.924 6.891 457 HE ARG 57 HE ARG 57 7.393 -6.695 5.477 458 1HH1 ARG 57 2HH1 ARG 57 10.674 -6.279 6.711 459 2HH1 ARG 57 1HH1 ARG 57 11.289 -7.709 5.923 460 1HH2 ARG 57 2HH2 ARG 57 8.123 -8.473 4.479 461 2HH2 ARG 57 1HH2 ARG 57 9.790 -9.012 4.592 462 H CYS 58 H CYS 58 7.358 0.092 5.406 463 HA CYS 58 HA CYS 58 5.957 -0.695 7.707 464 1HB CYS 58 1HB CYS 58 5.152 1.560 7.779 465 2HB CYS 58 2HB CYS 58 6.832 1.559 7.246 466 H ASN 59 H ASN 59 4.879 -0.422 4.358 467 HA ASN 59 HA ASN 59 2.031 -0.425 5.039 468 1HB ASN 59 2HB ASN 59 1.683 -0.309 2.693 469 2HB ASN 59 1HB ASN 59 2.861 0.908 3.145 470 1HD2 ASN 59 2HD2 ASN 59 3.745 -0.950 -0.076 471 2HD2 ASN 59 1HD2 ASN 59 2.548 0.153 0.586 472 H LYS 60 H LYS 60 2.782 -2.521 6.288 473 HA LYS 60 HA LYS 60 2.778 -4.924 4.615 474 1HB LYS 60 1HB LYS 60 2.366 -5.988 7.023 475 2HB LYS 60 2HB LYS 60 3.929 -5.470 6.450 476 1HG LYS 60 1HG LYS 60 3.643 -4.838 8.755 477 2HG LYS 60 2HG LYS 60 3.947 -3.476 7.702 478 1HD LYS 60 2HD LYS 60 2.380 -2.726 9.264 479 2HD LYS 60 1HD LYS 60 1.427 -2.956 7.812 480 1HE LYS 60 2HE LYS 60 1.571 -4.924 10.157 481 2HE LYS 60 1HE LYS 60 0.307 -3.713 9.889 482 1HZ LYS 60 1HZ LYS 60 -0.091 -4.803 7.735 483 2HZ LYS 60 2HZ LYS 60 0.864 -6.046 8.230 484 3HZ LYS 60 3HZ LYS 60 -0.505 -5.694 9.068 Start of MODEL 9 Raw file had 484 H/Q atoms Start of MODEL 9 1 NH1 ARG 1 NH2 ARG 1 13.364 4.029 6.785 2 NH2 ARG 1 NH1 ARG 1 13.512 6.307 6.461 3 1H ARG 1 2H ARG 1 12.498 4.454 -1.806 4 2H ARG 1 1H ARG 1 11.342 5.029 -0.805 5 3H ARG 1 3H ARG 1 12.824 5.710 -0.769 6 HA ARG 1 HA ARG 1 13.743 3.601 0.052 7 1HB ARG 1 2HB ARG 1 12.339 5.280 1.578 8 2HB ARG 1 1HB ARG 1 11.222 3.908 1.674 9 1HG ARG 1 2HG ARG 1 13.407 2.587 2.412 10 2HG ARG 1 1HG ARG 1 14.140 4.169 2.584 11 1HD ARG 1 2HD ARG 1 11.455 3.709 3.893 12 2HD ARG 1 1HD ARG 1 12.865 2.875 4.539 13 HE ARG 1 HE ARG 1 12.862 5.837 4.141 14 1HH1 ARG 1 2HH2 ARG 1 13.220 3.075 6.468 15 2HH1 ARG 1 1HH2 ARG 1 13.631 4.157 7.749 16 1HH2 ARG 1 1HH1 ARG 1 13.418 7.116 5.852 17 2HH2 ARG 1 2HH1 ARG 1 13.807 6.440 7.417 18 H ILE 2 H ILE 2 12.377 1.486 1.341 19 HA ILE 2 HA ILE 2 11.540 -0.058 -1.007 20 HB ILE 2 HB ILE 2 11.714 -0.925 1.913 21 1HG1 ILE 2 1HG1 ILE 2 13.906 -0.089 1.428 22 2HG1 ILE 2 2HG1 ILE 2 13.947 -1.848 1.384 23 1HG2 ILE 2 1HG2 ILE 2 11.724 -2.448 -0.741 24 2HG2 ILE 2 2HG2 ILE 2 12.068 -3.180 0.839 25 3HG2 ILE 2 3HG2 ILE 2 10.477 -2.491 0.508 26 1HD1 ILE 2 2HD1 ILE 2 13.826 -1.780 -1.106 27 2HD1 ILE 2 3HD1 ILE 2 13.833 -0.002 -1.037 28 3HD1 ILE 2 1HD1 ILE 2 15.234 -0.918 -0.454 29 H CYS 3 H CYS 3 9.448 -0.830 -1.357 30 HA CYS 3 HA CYS 3 7.388 -0.383 0.739 31 1HB CYS 3 2HB CYS 3 7.105 0.420 -2.185 32 2HB CYS 3 1HB CYS 3 5.802 0.372 -0.997 33 OH TYR 4 OH TYR 4 7.237 -7.537 4.480 34 H TYR 4 H TYR 4 5.600 -1.843 0.451 35 HA TYR 4 HA TYR 4 6.383 -4.389 -0.814 36 1HB TYR 4 1HB TYR 4 4.207 -3.434 1.044 37 2HB TYR 4 2HB TYR 4 3.983 -4.906 0.125 38 HD1 TYR 4 HD1 TYR 4 7.469 -4.560 1.062 39 HD2 TYR 4 HD2 TYR 4 3.586 -5.605 2.587 40 HE1 TYR 4 HE1 TYR 4 8.512 -6.192 2.591 41 HE2 TYR 4 HE2 TYR 4 4.682 -6.946 4.377 42 HH TYR 4 HH TYR 4 8.176 -7.653 4.331 43 H SER 5 H SER 5 5.593 -5.131 -2.704 44 HA SER 5 HA SER 5 4.156 -3.182 -4.406 45 1HB SER 5 2HB SER 5 4.937 -4.903 -6.147 46 2HB SER 5 1HB SER 5 6.191 -4.045 -5.239 47 HG SER 5 HG SER 5 6.855 -6.043 -4.951 48 H HIS 6 H HIS 6 4.107 -6.630 -3.948 49 HA HIS 6 HA HIS 6 2.081 -7.578 -5.325 50 1HB HIS 6 1HB HIS 6 1.785 -9.351 -3.669 51 2HB HIS 6 2HB HIS 6 3.487 -8.918 -3.798 52 HD1 HIS 6 HD1 HIS 6 4.472 -7.344 -1.781 53 HD2 HIS 6 HD2 HIS 6 0.681 -9.037 -1.140 54 HE1 HIS 6 HE1 HIS 6 3.989 -7.230 0.676 55 H LYS 7 H LYS 7 -0.003 -8.172 -5.229 56 HA LYS 7 HA LYS 7 -1.886 -6.442 -3.747 57 1HB LYS 7 1HB LYS 7 -3.542 -7.505 -5.417 58 2HB LYS 7 2HB LYS 7 -2.355 -6.374 -6.028 59 1HG LYS 7 2HG LYS 7 -2.638 -8.186 -7.569 60 2HG LYS 7 1HG LYS 7 -0.999 -8.140 -6.981 61 1HD LYS 7 2HD LYS 7 -1.756 -10.441 -7.152 62 2HD LYS 7 1HD LYS 7 -1.473 -10.070 -5.462 63 1HE LYS 7 2HE LYS 7 -3.524 -11.390 -5.760 64 2HE LYS 7 1HE LYS 7 -3.944 -9.805 -5.116 65 1HZ LYS 7 1HZ LYS 7 -4.130 -10.587 -7.935 66 2HZ LYS 7 2HZ LYS 7 -5.387 -10.469 -6.876 67 3HZ LYS 7 3HZ LYS 7 -4.549 -9.119 -7.308 68 H ALA 8 H ALA 8 -3.975 -7.684 -3.271 69 HA ALA 8 HA ALA 8 -3.877 -9.039 -0.969 70 1HB ALA 8 3HB ALA 8 -5.902 -8.150 -2.012 71 2HB ALA 8 2HB ALA 8 -5.907 -9.463 -3.202 72 3HB ALA 8 1HB ALA 8 -6.160 -9.812 -1.474 73 H SER 9 H SER 9 -1.898 -10.459 -1.540 74 HA SER 9 HA SER 9 -2.846 -13.206 -1.175 75 1HB SER 9 1HB SER 9 -1.159 -13.976 -2.978 76 2HB SER 9 2HB SER 9 -2.567 -13.113 -3.613 77 HG SER 9 HG SER 9 -1.143 -11.150 -3.410 78 H LEU 10 H LEU 10 -1.431 -10.976 0.120 79 HA LEU 10 HA LEU 10 0.611 -10.316 1.079 80 1HB LEU 10 2HB LEU 10 -0.341 -12.730 2.666 81 2HB LEU 10 1HB LEU 10 0.552 -11.332 3.261 82 HG LEU 10 HG LEU 10 -1.572 -11.022 4.028 83 1HD1 LEU 10 1HD2 LEU 10 -0.648 -8.973 3.063 84 2HD1 LEU 10 3HD2 LEU 10 -1.490 -9.286 1.527 85 3HD1 LEU 10 2HD2 LEU 10 -2.416 -8.983 3.007 86 1HD2 LEU 10 2HD1 LEU 10 -2.732 -12.694 2.567 87 2HD2 LEU 10 1HD1 LEU 10 -3.647 -11.229 2.953 88 3HD2 LEU 10 3HD1 LEU 10 -2.942 -11.416 1.350 89 HA PRO 11 HA PRO 11 3.620 -13.693 0.187 90 1HB PRO 11 1HB PRO 11 4.473 -12.409 -2.345 91 2HB PRO 11 2HB PRO 11 4.085 -14.145 -2.116 92 1HG PRO 11 1HG PRO 11 2.428 -12.510 -3.554 93 2HG PRO 11 2HG PRO 11 1.717 -13.667 -2.382 94 1HD PRO 11 1HD PRO 11 2.591 -10.834 -1.851 95 2HD PRO 11 2HD PRO 11 0.922 -11.395 -1.732 96 NH1 ARG 12 NH1 ARG 12 2.500 -8.189 5.108 97 NH2 ARG 12 NH2 ARG 12 1.806 -7.974 2.959 98 H ARG 12 H ARG 12 3.563 -10.687 0.676 99 HA ARG 12 HA ARG 12 4.898 -9.015 1.590 100 1HB ARG 12 1HB ARG 12 6.869 -11.246 1.910 101 2HB ARG 12 2HB ARG 12 6.844 -9.750 2.850 102 1HG ARG 12 1HG ARG 12 4.685 -11.927 2.971 103 2HG ARG 12 2HG ARG 12 5.986 -11.674 4.124 104 1HD ARG 12 1HD ARG 12 4.010 -10.759 5.079 105 2HD ARG 12 2HD ARG 12 5.080 -9.408 4.655 106 HE ARG 12 HE ARG 12 3.261 -9.962 2.514 107 1HH1 ARG 12 2HH1 ARG 12 3.028 -8.629 5.844 108 2HH1 ARG 12 1HH1 ARG 12 1.892 -7.384 5.284 109 1HH2 ARG 12 2HH2 ARG 12 1.844 -8.164 1.960 110 2HH2 ARG 12 1HH2 ARG 12 1.278 -7.169 3.305 111 H ALA 13 H ALA 13 5.599 -10.250 -1.316 112 HA ALA 13 HA ALA 13 8.136 -9.454 -2.025 113 1HB ALA 13 3HB ALA 13 6.524 -10.628 -3.527 114 2HB ALA 13 2HB ALA 13 5.665 -9.087 -3.763 115 3HB ALA 13 1HB ALA 13 7.335 -9.261 -4.319 116 H THR 14 H THR 14 9.196 -7.609 -2.659 117 HA THR 14 HA THR 14 8.057 -5.051 -1.796 118 HB THR 14 HB THR 14 10.537 -4.542 -1.773 119 HG1 THR 14 HG1 THR 14 11.866 -6.423 -1.917 120 1HG2 THR 14 2HG2 THR 14 9.579 -6.892 -0.076 121 2HG2 THR 14 3HG2 THR 14 11.026 -5.911 0.237 122 3HG2 THR 14 1HG2 THR 14 9.430 -5.160 0.288 123 H LYS 15 H LYS 15 9.087 -3.170 -2.803 124 HA LYS 15 HA LYS 15 10.151 -3.287 -5.505 125 1HB LYS 15 2HB LYS 15 8.713 -1.459 -6.303 126 2HB LYS 15 1HB LYS 15 7.827 -2.958 -6.102 127 1HG LYS 15 2HG LYS 15 6.862 -2.091 -3.959 128 2HG LYS 15 1HG LYS 15 7.860 -0.635 -4.113 129 1HD LYS 15 1HD LYS 15 6.748 -0.164 -6.332 130 2HD LYS 15 2HD LYS 15 5.610 -1.475 -5.998 131 1HE LYS 15 2HE LYS 15 6.060 0.991 -4.239 132 2HE LYS 15 1HE LYS 15 4.753 0.811 -5.416 133 1HZ LYS 15 2HZ LYS 15 5.136 -0.988 -3.120 134 2HZ LYS 15 1HZ LYS 15 4.104 0.286 -3.145 135 3HZ LYS 15 3HZ LYS 15 3.879 -0.978 -4.172 136 H THR 16 H THR 16 11.328 -1.259 -5.904 137 HA THR 16 HA THR 16 12.063 0.179 -3.377 138 HB THR 16 HB THR 16 13.710 -0.354 -5.880 139 HG1 THR 16 HG1 THR 16 13.337 -2.157 -4.468 140 1HG2 THR 16 3HG2 THR 16 14.425 0.967 -3.218 141 2HG2 THR 16 2HG2 THR 16 15.574 0.533 -4.497 142 3HG2 THR 16 1HG2 THR 16 14.351 1.778 -4.799 143 H CYS 17 H CYS 17 11.192 2.177 -3.340 144 HA CYS 17 HA CYS 17 10.719 3.650 -5.915 145 1HB CYS 17 1HB CYS 17 8.708 2.930 -4.393 146 2HB CYS 17 2HB CYS 17 9.346 4.256 -3.395 147 H VAL 18 H VAL 18 10.608 6.180 -5.121 148 HA VAL 18 HA VAL 18 13.211 6.731 -3.866 149 HB VAL 18 HB VAL 18 12.752 9.007 -4.590 150 1HG1 VAL 18 1HG1 VAL 18 13.944 7.387 -6.034 151 2HG1 VAL 18 3HG1 VAL 18 12.409 6.968 -6.825 152 3HG1 VAL 18 2HG1 VAL 18 13.074 8.605 -6.978 153 1HG2 VAL 18 1HG2 VAL 18 10.174 7.979 -5.853 154 2HG2 VAL 18 2HG2 VAL 18 10.344 9.254 -4.621 155 3HG2 VAL 18 3HG2 VAL 18 10.971 9.508 -6.239 156 H GLU 19 H GLU 19 9.771 7.566 -3.460 157 HA GLU 19 HA GLU 19 9.787 9.169 -1.269 158 1HB GLU 19 2HB GLU 19 7.828 6.907 -1.861 159 2HB GLU 19 1HB GLU 19 7.478 8.250 -0.780 160 1HG GLU 19 1HG GLU 19 7.982 8.486 -3.766 161 2HG GLU 19 2HG GLU 19 6.443 8.645 -2.919 162 H ASN 20 H ASN 20 9.694 9.052 0.891 163 HA ASN 20 HA ASN 20 10.824 6.698 2.244 164 1HB ASN 20 2HB ASN 20 11.294 9.202 2.737 165 2HB ASN 20 1HB ASN 20 9.736 9.200 3.573 166 1HD2 ASN 20 1HD2 ASN 20 11.020 6.904 6.163 167 2HD2 ASN 20 2HD2 ASN 20 9.584 7.091 5.167 168 H THR 21 H THR 21 7.699 7.787 1.222 169 HA THR 21 HA THR 21 6.304 6.253 3.291 170 HB THR 21 HB THR 21 4.379 7.704 2.294 171 HG1 THR 21 HG1 THR 21 5.215 9.626 1.309 172 1HG2 THR 21 3HG2 THR 21 6.662 9.039 3.812 173 2HG2 THR 21 2HG2 THR 21 5.013 9.682 3.653 174 3HG2 THR 21 1HG2 THR 21 5.281 8.158 4.506 175 H CYS 22 H CYS 22 4.530 4.958 2.659 176 HA CYS 22 HA CYS 22 4.418 4.099 -0.177 177 1HB CYS 22 1HB CYS 22 4.393 2.139 2.092 178 2HB CYS 22 2HB CYS 22 4.516 1.831 0.365 179 OH TYR 23 OH TYR 23 -1.331 4.096 -5.818 180 H TYR 23 H TYR 23 2.331 3.111 -0.604 181 HA TYR 23 HA TYR 23 0.363 3.446 1.623 182 1HB TYR 23 1HB TYR 23 -1.359 3.986 0.022 183 2HB TYR 23 2HB TYR 23 -0.011 5.093 -0.084 184 HD1 TYR 23 HD1 TYR 23 -1.542 2.067 -1.767 185 HD2 TYR 23 HD2 TYR 23 1.000 5.509 -2.193 186 HE1 TYR 23 HE1 TYR 23 -2.076 2.170 -4.179 187 HE2 TYR 23 HE2 TYR 23 0.394 5.674 -4.576 188 HH TYR 23 HH TYR 23 -1.246 5.011 -6.124 189 H LYS 24 H LYS 24 -1.455 2.246 1.491 190 HA LYS 24 HA LYS 24 -1.371 -0.371 0.098 191 1HB LYS 24 1HB LYS 24 -2.496 -1.221 2.305 192 2HB LYS 24 2HB LYS 24 -0.739 -1.181 2.102 193 1HG LYS 24 2HG LYS 24 -0.502 0.795 3.435 194 2HG LYS 24 1HG LYS 24 -2.263 0.984 3.542 195 1HD LYS 24 1HD LYS 24 -2.453 -1.172 4.715 196 2HD LYS 24 2HD LYS 24 -0.713 -1.444 4.578 197 1HE LYS 24 2HE LYS 24 -2.075 0.790 6.165 198 2HE LYS 24 1HE LYS 24 -1.360 -0.682 6.830 199 1HZ LYS 24 2HZ LYS 24 0.123 1.395 5.381 200 2HZ LYS 24 3HZ LYS 24 0.100 1.184 7.014 201 3HZ LYS 24 1HZ LYS 24 0.761 0.026 6.050 202 H MET 25 H MET 25 -3.192 -0.770 -0.919 203 HA MET 25 HA MET 25 -5.418 1.168 -0.819 204 1HB MET 25 1HB MET 25 -4.155 1.039 -2.874 205 2HB MET 25 2HB MET 25 -4.339 -0.699 -2.853 206 1HG MET 25 2HG MET 25 -6.727 -0.569 -3.270 207 2HG MET 25 1HG MET 25 -6.651 1.199 -3.252 208 1HE MET 25 3HE MET 25 -8.029 0.544 -5.713 209 2HE MET 25 1HE MET 25 -7.178 -0.266 -7.046 210 3HE MET 25 2HE MET 25 -7.583 -1.182 -5.580 211 H PHE 26 H PHE 26 -7.436 0.448 -0.163 212 HA PHE 26 HA PHE 26 -8.049 -2.467 -0.144 213 1HB PHE 26 1HB PHE 26 -9.123 -2.060 2.100 214 2HB PHE 26 2HB PHE 26 -7.367 -1.983 2.096 215 HD1 PHE 26 HD1 PHE 26 -10.454 0.086 2.293 216 HD2 PHE 26 HD2 PHE 26 -6.153 0.133 2.437 217 HE1 PHE 26 HE1 PHE 26 -10.528 2.307 3.348 218 HE2 PHE 26 HE2 PHE 26 -6.245 2.478 3.175 219 HZ PHE 26 HZ PHE 26 -8.404 3.524 3.817 220 H ILE 27 H ILE 27 -10.475 -2.798 0.124 221 HA ILE 27 HA ILE 27 -11.835 -0.972 -1.711 222 HB ILE 27 HB ILE 27 -12.962 -3.303 -0.122 223 1HG1 ILE 27 1HG1 ILE 27 -12.134 -3.186 -3.059 224 2HG1 ILE 27 2HG1 ILE 27 -11.127 -3.879 -1.784 225 1HG2 ILE 27 2HG2 ILE 27 -14.688 -1.653 -0.890 226 2HG2 ILE 27 1HG2 ILE 27 -14.057 -1.773 -2.538 227 3HG2 ILE 27 3HG2 ILE 27 -14.843 -3.160 -1.768 228 1HD1 ILE 27 1HD1 ILE 27 -12.949 -5.496 -1.245 229 2HD1 ILE 27 2HD1 ILE 27 -13.840 -4.906 -2.672 230 3HD1 ILE 27 3HD1 ILE 27 -12.258 -5.670 -2.873 231 NH1 ARG 28 NH1 ARG 28 -14.222 7.754 -0.787 232 NH2 ARG 28 NH2 ARG 28 -12.333 6.859 -1.791 233 H ARG 28 H ARG 28 -13.376 0.562 -1.107 234 HA ARG 28 HA ARG 28 -12.807 1.887 1.295 235 1HB ARG 28 1HB ARG 28 -13.776 2.820 -0.845 236 2HB ARG 28 2HB ARG 28 -15.366 2.212 -0.355 237 1HG ARG 28 1HG ARG 28 -15.357 3.645 1.618 238 2HG ARG 28 2HG ARG 28 -13.649 4.057 1.361 239 1HD ARG 28 1HD ARG 28 -15.879 4.841 -0.542 240 2HD ARG 28 2HD ARG 28 -15.196 5.858 0.737 241 HE ARG 28 HE ARG 28 -13.298 4.703 -1.239 242 1HH1 ARG 28 2HH1 ARG 28 -15.112 7.615 -0.334 243 2HH1 ARG 28 1HH1 ARG 28 -13.909 8.693 -0.986 244 1HH2 ARG 28 2HH2 ARG 28 -11.829 6.016 -2.063 245 2HH2 ARG 28 1HH2 ARG 28 -11.952 7.772 -1.989 246 H THR 29 H THR 29 -15.355 -0.477 0.679 247 HA THR 29 HA THR 29 -16.646 -0.109 3.275 248 HB THR 29 HB THR 29 -17.749 -2.291 2.483 249 HG1 THR 29 HG1 THR 29 -17.202 -3.031 0.496 250 1HG2 THR 29 3HG2 THR 29 -18.799 -0.076 2.079 251 2HG2 THR 29 2HG2 THR 29 -17.869 0.097 0.574 252 3HG2 THR 29 1HG2 THR 29 -19.088 -1.185 0.724 253 H HIS 30 H HIS 30 -14.882 -2.704 1.656 254 HA HIS 30 HA HIS 30 -14.332 -4.122 4.171 255 1HB HIS 30 1HB HIS 30 -13.300 -4.861 1.417 256 2HB HIS 30 2HB HIS 30 -13.553 -5.901 2.815 257 HD1 HIS 30 HD1 HIS 30 -16.364 -5.634 3.628 258 HD2 HIS 30 HD2 HIS 30 -15.328 -4.977 -0.376 259 HE1 HIS 30 HE1 HIS 30 -18.519 -5.590 2.286 260 NH1 ARG 31 NH2 ARG 31 -11.206 4.439 5.197 261 NH2 ARG 31 NH1 ARG 31 -13.037 4.665 3.832 262 H ARG 31 H ARG 31 -13.216 -2.070 4.918 263 HA ARG 31 HA ARG 31 -10.661 -1.412 3.939 264 1HB ARG 31 1HB ARG 31 -11.753 -1.108 6.780 265 2HB ARG 31 2HB ARG 31 -10.360 -0.278 6.063 266 1HG ARG 31 2HG ARG 31 -12.067 0.410 4.172 267 2HG ARG 31 1HG ARG 31 -13.303 0.048 5.379 268 1HD ARG 31 2HD ARG 31 -12.406 1.747 6.874 269 2HD ARG 31 1HD ARG 31 -10.976 1.937 5.835 270 HE ARG 31 HE ARG 31 -13.617 2.369 4.583 271 1HH1 ARG 31 2HH2 ARG 31 -10.688 3.948 5.909 272 2HH1 ARG 31 1HH2 ARG 31 -10.878 5.330 4.839 273 1HH2 ARG 31 2HH1 ARG 31 -13.917 4.322 3.477 274 2HH2 ARG 31 1HH1 ARG 31 -12.642 5.537 3.492 275 H GLU 32 H GLU 32 -11.601 -3.931 6.211 276 HA GLU 32 HA GLU 32 -8.833 -4.591 6.899 277 1HB GLU 32 1HB GLU 32 -10.922 -4.844 8.378 278 2HB GLU 32 2HB GLU 32 -11.319 -6.273 7.406 279 1HG GLU 32 2HG GLU 32 -9.123 -7.281 8.070 280 2HG GLU 32 1HG GLU 32 -8.743 -5.819 8.994 281 OH TYR 33 OH TYR 33 -8.761 -9.155 -2.661 282 H TYR 33 H TYR 33 -8.926 -4.514 4.197 283 HA TYR 33 HA TYR 33 -8.125 -7.191 3.412 284 1HB TYR 33 1HB TYR 33 -10.507 -7.414 2.980 285 2HB TYR 33 2HB TYR 33 -10.549 -5.849 2.172 286 HD1 TYR 33 HD2 TYR 33 -8.928 -9.231 1.891 287 HD2 TYR 33 HD1 TYR 33 -10.328 -5.704 -0.158 288 HE1 TYR 33 HE2 TYR 33 -8.406 -10.286 -0.285 289 HE2 TYR 33 HE1 TYR 33 -9.776 -6.753 -2.335 290 HH TYR 33 HH TYR 33 -8.397 -10.039 -2.582 291 H ILE 34 H ILE 34 -6.087 -6.364 2.928 292 HA ILE 34 HA ILE 34 -5.829 -3.837 1.463 293 HB ILE 34 HB ILE 34 -3.691 -5.913 2.098 294 1HG1 ILE 34 1HG1 ILE 34 -4.556 -5.209 4.214 295 2HG1 ILE 34 2HG1 ILE 34 -3.046 -4.353 3.931 296 1HG2 ILE 34 3HG2 ILE 34 -3.623 -3.013 1.142 297 2HG2 ILE 34 2HG2 ILE 34 -2.209 -3.874 1.778 298 3HG2 ILE 34 1HG2 ILE 34 -3.005 -4.445 0.306 299 1HD1 ILE 34 3HD1 ILE 34 -4.405 -2.325 3.223 300 2HD1 ILE 34 1HD1 ILE 34 -5.868 -3.213 3.709 301 3HD1 ILE 34 2HD1 ILE 34 -4.630 -2.824 4.906 302 H SER 35 H SER 35 -6.328 -3.782 -0.579 303 HA SER 35 HA SER 35 -6.730 -6.157 -2.214 304 1HB SER 35 2HB SER 35 -7.060 -3.183 -2.787 305 2HB SER 35 1HB SER 35 -7.656 -4.527 -3.762 306 HG SER 35 HG SER 35 -8.348 -4.565 -1.057 307 H GLU 36 H GLU 36 -4.752 -3.154 -2.290 308 HA GLU 36 HA GLU 36 -2.659 -4.476 -3.887 309 1HB GLU 36 1HB GLU 36 -4.390 -3.616 -5.489 310 2HB GLU 36 2HB GLU 36 -4.075 -1.982 -4.899 311 1HG GLU 36 1HG GLU 36 -1.880 -1.972 -5.875 312 2HG GLU 36 2HG GLU 36 -1.891 -3.740 -6.088 313 NH1 ARG 37 NH2 ARG 37 -0.451 -6.116 -0.159 314 NH2 ARG 37 NH1 ARG 37 -0.467 -6.063 2.158 315 H ARG 37 H ARG 37 -0.878 -2.587 -4.277 316 HA ARG 37 HA ARG 37 -0.726 -0.817 -1.916 317 1HB ARG 37 1HB ARG 37 1.239 -3.010 -2.706 318 2HB ARG 37 2HB ARG 37 1.700 -1.619 -1.711 319 1HG ARG 37 1HG ARG 37 0.165 -2.132 -0.018 320 2HG ARG 37 2HG ARG 37 -0.569 -3.471 -0.943 321 1HD ARG 37 2HD ARG 37 1.686 -4.622 -0.966 322 2HD ARG 37 1HD ARG 37 2.253 -3.311 0.084 323 HE ARG 37 HE ARG 37 1.247 -4.252 1.881 324 1HH1 ARG 37 1HH2 ARG 37 -0.044 -5.832 -1.048 325 2HH1 ARG 37 2HH2 ARG 37 -1.147 -6.844 -0.156 326 1HH2 ARG 37 2HH1 ARG 37 -0.072 -5.739 3.047 327 2HH2 ARG 37 1HH1 ARG 37 -1.170 -6.783 2.190 328 H GLY 38 H GLY 38 1.194 0.619 -2.093 329 1HA GLY 38 1HA GLY 38 2.315 1.014 -4.756 330 2HA GLY 38 2HA GLY 38 1.062 2.192 -4.399 331 H CYS 39 H CYS 39 3.182 3.420 -4.851 332 HA CYS 39 HA CYS 39 5.029 3.653 -2.541 333 1HB CYS 39 2HB CYS 39 6.075 3.395 -4.685 334 2HB CYS 39 1HB CYS 39 5.060 4.648 -5.413 335 H GLY 40 H GLY 40 5.235 5.596 -1.357 336 1HA GLY 40 1HA GLY 40 4.812 7.672 -0.677 337 2HA GLY 40 2HA GLY 40 3.933 8.030 -2.134 338 H CYS 41 H CYS 41 1.665 7.964 -2.053 339 HA CYS 41 HA CYS 41 0.082 7.229 0.275 340 1HB CYS 41 1HB CYS 41 1.585 9.265 0.574 341 2HB CYS 41 2HB CYS 41 0.521 10.115 -0.534 342 HA PRO 42 HA PRO 42 -3.424 6.705 -2.197 343 1HB PRO 42 2HB PRO 42 -4.064 9.677 -1.964 344 2HB PRO 42 1HB PRO 42 -5.266 8.355 -2.086 345 1HG PRO 42 1HG PRO 42 -4.412 9.269 0.338 346 2HG PRO 42 2HG PRO 42 -4.725 7.540 0.072 347 1HD PRO 42 1HD PRO 42 -2.181 8.960 0.326 348 2HD PRO 42 2HD PRO 42 -2.479 7.185 0.515 349 H THR 43 H THR 43 -4.696 6.793 -3.851 350 HA THR 43 HA THR 43 -4.258 8.270 -6.240 351 HB THR 43 HB THR 43 -3.464 5.335 -6.345 352 HG1 THR 43 HG1 THR 43 -1.943 7.563 -5.820 353 1HG2 THR 43 3HG2 THR 43 -3.308 7.548 -8.419 354 2HG2 THR 43 1HG2 THR 43 -2.721 5.877 -8.616 355 3HG2 THR 43 2HG2 THR 43 -4.455 6.186 -8.417 356 H ALA 44 H ALA 44 -5.046 5.372 -5.140 357 HA ALA 44 HA ALA 44 -7.473 4.659 -6.501 358 1HB ALA 44 2HB ALA 44 -5.921 3.057 -5.409 359 2HB ALA 44 3HB ALA 44 -6.479 3.615 -3.820 360 3HB ALA 44 1HB ALA 44 -7.620 2.816 -4.910 361 H MET 45 H MET 45 -9.361 5.754 -6.315 362 HA MET 45 HA MET 45 -10.397 6.574 -3.673 363 1HB MET 45 1HB MET 45 -10.941 7.585 -6.508 364 2HB MET 45 2HB MET 45 -11.685 8.196 -5.029 365 1HG MET 45 1HG MET 45 -8.745 8.361 -5.741 366 2HG MET 45 2HG MET 45 -9.901 9.685 -5.736 367 1HE MET 45 1HE MET 45 -7.762 10.820 -4.447 368 2HE MET 45 2HE MET 45 -7.225 10.291 -2.835 369 3HE MET 45 3HE MET 45 -6.917 9.263 -4.253 370 CH2 TRP 46 CH2 TRP 46 -20.199 5.693 -7.054 371 H TRP 46 H TRP 46 -12.982 6.819 -4.225 372 HA TRP 46 HA TRP 46 -14.244 4.545 -3.750 373 1HB TRP 46 1HB TRP 46 -15.240 6.883 -3.913 374 2HB TRP 46 2HB TRP 46 -15.247 6.685 -5.638 375 HD1 TRP 46 HD1 TRP 46 -16.689 4.525 -2.718 376 HE1 TRP 46 HE1 TRP 46 -19.101 3.843 -3.363 377 HE3 TRP 46 HE3 TRP 46 -17.055 7.076 -7.040 378 HZ2 TRP 46 HZ2 TRP 46 -20.957 4.395 -5.498 379 HZ3 TRP 46 HZ3 TRP 46 -19.174 7.023 -8.413 380 HH2 TRP 46 HH2 TRP 46 -21.112 5.675 -7.632 381 HA PRO 47 HA PRO 47 -15.712 2.812 -4.023 382 1HB PRO 47 1HB PRO 47 -15.855 0.181 -4.467 383 2HB PRO 47 2HB PRO 47 -16.809 1.339 -5.431 384 1HG PRO 47 1HG PRO 47 -14.132 0.124 -6.185 385 2HG PRO 47 2HG PRO 47 -15.636 0.119 -7.152 386 1HD PRO 47 1HD PRO 47 -13.708 2.034 -7.509 387 2HD PRO 47 2HD PRO 47 -15.441 2.440 -7.626 388 OH TYR 48 OH TYR 48 -10.999 -3.540 -6.590 389 H TYR 48 H TYR 48 -12.463 2.860 -4.660 390 HA TYR 48 HA TYR 48 -11.746 1.061 -2.390 391 1HB TYR 48 1HB TYR 48 -10.145 2.217 -4.703 392 2HB TYR 48 2HB TYR 48 -9.434 1.396 -3.321 393 HD1 TYR 48 HD2 TYR 48 -11.589 0.968 -6.320 394 HD2 TYR 48 HD1 TYR 48 -9.456 -1.022 -3.146 395 HE1 TYR 48 HE2 TYR 48 -11.885 -1.200 -7.476 396 HE2 TYR 48 HE1 TYR 48 -9.769 -3.190 -4.296 397 HH TYR 48 HH TYR 48 -11.490 -3.475 -7.411 398 H GLN 49 H GLN 49 -9.826 1.914 -1.185 399 HA GLN 49 HA GLN 49 -9.443 4.788 -1.322 400 1HB GLN 49 2HB GLN 49 -11.315 4.220 0.547 401 2HB GLN 49 1HB GLN 49 -9.850 3.769 1.441 402 1HG GLN 49 1HG GLN 49 -9.024 6.179 0.507 403 2HG GLN 49 2HG GLN 49 -10.763 6.462 0.527 404 1HE2 GLN 49 2HE2 GLN 49 -8.596 6.344 3.993 405 2HE2 GLN 49 1HE2 GLN 49 -7.831 5.976 2.461 406 H THR 50 H THR 50 -7.444 5.271 -0.731 407 HA THR 50 HA THR 50 -5.546 3.122 0.004 408 HB THR 50 HB THR 50 -4.173 5.491 -0.547 409 HG1 THR 50 HG1 THR 50 -6.390 5.213 -2.372 410 1HG2 THR 50 2HG2 THR 50 -3.494 3.309 -1.214 411 2HG2 THR 50 3HG2 THR 50 -4.796 3.215 -2.421 412 3HG2 THR 50 1HG2 THR 50 -3.493 4.414 -2.607 413 H GLU 51 H GLU 51 -4.069 3.328 1.695 414 HA GLU 51 HA GLU 51 -4.232 5.777 3.373 415 1HB GLU 51 1HB GLU 51 -4.181 4.595 5.449 416 2HB GLU 51 2HB GLU 51 -5.612 4.111 4.543 417 1HG GLU 51 2HG GLU 51 -4.107 2.185 3.674 418 2HG GLU 51 1HG GLU 51 -3.006 2.607 4.998 419 H CYS 52 H CYS 52 -2.190 6.373 4.250 420 HA CYS 52 HA CYS 52 0.056 5.186 2.788 421 1HB CYS 52 2HB CYS 52 0.298 7.718 4.333 422 2HB CYS 52 1HB CYS 52 0.964 7.266 2.760 423 H CYS 53 H CYS 53 2.166 5.419 3.913 424 HA CYS 53 HA CYS 53 2.286 5.553 6.816 425 1HB CYS 53 1HB CYS 53 3.234 3.332 7.177 426 2HB CYS 53 2HB CYS 53 1.584 3.208 6.551 427 H LYS 54 H LYS 54 4.685 5.288 7.486 428 HA LYS 54 HA LYS 54 6.523 6.114 5.326 429 1HB LYS 54 2HB LYS 54 7.665 7.305 7.197 430 2HB LYS 54 1HB LYS 54 6.172 8.059 6.634 431 1HG LYS 54 1HG LYS 54 4.963 7.241 8.589 432 2HG LYS 54 2HG LYS 54 6.376 6.299 9.122 433 1HD LYS 54 1HD LYS 54 7.688 8.377 9.365 434 2HD LYS 54 2HD LYS 54 6.300 9.332 8.805 435 1HE LYS 54 1HE LYS 54 4.967 8.533 10.752 436 2HE LYS 54 2HE LYS 54 6.349 7.568 11.306 437 1HZ LYS 54 3HZ LYS 54 6.303 10.492 11.033 438 2HZ LYS 54 1HZ LYS 54 6.203 9.648 12.444 439 3HZ LYS 54 2HZ LYS 54 7.586 9.594 11.550 440 H GLY 55 H GLY 55 8.463 5.064 5.267 441 1HA GLY 55 2HA GLY 55 10.271 4.056 6.556 442 2HA GLY 55 1HA GLY 55 9.101 3.111 7.476 443 H ASP 56 H ASP 56 11.307 2.026 6.119 444 HA ASP 56 HA ASP 56 10.796 1.030 3.521 445 1HB ASP 56 1HB ASP 56 12.366 -0.869 4.375 446 2HB ASP 56 2HB ASP 56 13.030 0.736 4.165 447 NH1 ARG 57 NH1 ARG 57 13.165 -5.700 5.508 448 NH2 ARG 57 NH2 ARG 57 13.426 -3.678 6.612 449 H ARG 57 H ARG 57 9.469 -0.465 2.861 450 HA ARG 57 HA ARG 57 7.777 -2.048 2.814 451 1HB ARG 57 2HB ARG 57 9.311 -3.120 5.206 452 2HB ARG 57 1HB ARG 57 8.202 -4.056 4.226 453 1HG ARG 57 2HG ARG 57 9.661 -4.065 2.351 454 2HG ARG 57 1HG ARG 57 10.649 -2.741 2.968 455 1HD ARG 57 1HD ARG 57 10.492 -5.429 4.351 456 2HD ARG 57 2HD ARG 57 11.750 -4.951 3.183 457 HE ARG 57 HE ARG 57 11.511 -2.951 5.210 458 1HH1 ARG 57 1HH1 ARG 57 12.676 -6.257 4.825 459 2HH1 ARG 57 2HH1 ARG 57 13.920 -6.108 6.038 460 1HH2 ARG 57 2HH2 ARG 57 13.165 -2.699 6.730 461 2HH2 ARG 57 1HH2 ARG 57 14.178 -4.050 7.171 462 H CYS 58 H CYS 58 7.365 0.400 4.776 463 HA CYS 58 HA CYS 58 6.024 -0.539 7.046 464 1HB CYS 58 1HB CYS 58 5.118 1.663 7.216 465 2HB CYS 58 2HB CYS 58 6.782 1.759 6.648 466 H ASN 59 H ASN 59 4.832 -0.410 3.728 467 HA ASN 59 HA ASN 59 1.990 -0.472 4.483 468 1HB ASN 59 2HB ASN 59 1.620 -0.577 2.071 469 2HB ASN 59 1HB ASN 59 2.598 0.814 2.527 470 1HD2 ASN 59 2HD2 ASN 59 3.867 -1.118 -0.559 471 2HD2 ASN 59 1HD2 ASN 59 2.542 -0.077 -0.076 472 H LYS 60 H LYS 60 2.777 -2.365 5.845 473 HA LYS 60 HA LYS 60 3.153 -4.952 4.655 474 1HB LYS 60 2HB LYS 60 2.114 -4.159 7.386 475 2HB LYS 60 1HB LYS 60 2.622 -5.792 6.902 476 1HG LYS 60 2HG LYS 60 4.890 -4.862 6.311 477 2HG LYS 60 1HG LYS 60 4.414 -3.313 7.002 478 1HD LYS 60 1HD LYS 60 4.518 -5.969 8.506 479 2HD LYS 60 2HD LYS 60 5.748 -4.695 8.558 480 1HE LYS 60 2HE LYS 60 4.025 -3.103 9.464 481 2HE LYS 60 1HE LYS 60 2.859 -4.440 9.524 482 1HZ LYS 60 3HZ LYS 60 5.406 -4.339 10.973 483 2HZ LYS 60 2HZ LYS 60 3.908 -4.100 11.616 484 3HZ LYS 60 1HZ LYS 60 4.320 -5.579 11.017 Start of MODEL 10 Raw file had 484 H/Q atoms Start of MODEL 10 1 NH1 ARG 1 NH1 ARG 1 11.591 4.365 5.443 2 NH2 ARG 1 NH2 ARG 1 10.539 6.429 5.421 3 1H ARG 1 3H ARG 1 13.667 3.927 -0.376 4 2H ARG 1 2H ARG 1 14.016 4.852 0.953 5 3H ARG 1 1H ARG 1 14.620 3.308 0.793 6 HA ARG 1 HA ARG 1 12.818 3.205 2.315 7 1HB ARG 1 1HB ARG 1 11.684 5.262 1.594 8 2HB ARG 1 2HB ARG 1 11.342 4.557 0.013 9 1HG ARG 1 2HG ARG 1 9.334 4.605 1.299 10 2HG ARG 1 1HG ARG 1 9.789 2.939 1.039 11 1HD ARG 1 2HD ARG 1 9.031 3.147 3.288 12 2HD ARG 1 1HD ARG 1 10.771 2.947 3.419 13 HE ARG 1 HE ARG 1 9.376 5.614 3.452 14 1HH1 ARG 1 1HH1 ARG 1 11.691 3.428 5.089 15 2HH1 ARG 1 2HH1 ARG 1 12.119 4.636 6.261 16 1HH2 ARG 1 2HH2 ARG 1 9.845 7.042 4.998 17 2HH2 ARG 1 1HH2 ARG 1 11.029 6.723 6.252 18 H ILE 2 H ILE 2 11.127 1.410 2.137 19 HA ILE 2 HA ILE 2 11.385 -0.295 -0.267 20 HB ILE 2 HB ILE 2 11.303 -1.181 2.661 21 1HG1 ILE 2 1HG1 ILE 2 13.592 -0.484 1.857 22 2HG1 ILE 2 2HG1 ILE 2 13.443 -2.149 2.416 23 1HG2 ILE 2 1HG2 ILE 2 11.148 -2.782 0.065 24 2HG2 ILE 2 3HG2 ILE 2 11.437 -3.493 1.671 25 3HG2 ILE 2 2HG2 ILE 2 9.920 -2.660 1.324 26 1HD1 ILE 2 3HD1 ILE 2 13.364 -1.351 -0.511 27 2HD1 ILE 2 1HD1 ILE 2 14.801 -1.930 0.346 28 3HD1 ILE 2 2HD1 ILE 2 13.407 -3.002 0.137 29 H CYS 3 H CYS 3 9.260 -0.932 -0.921 30 HA CYS 3 HA CYS 3 7.003 -0.334 0.945 31 1HB CYS 3 1HB CYS 3 7.203 0.553 -1.963 32 2HB CYS 3 2HB CYS 3 5.772 0.671 -0.934 33 OH TYR 4 OH TYR 4 5.500 -7.523 4.698 34 H TYR 4 H TYR 4 5.350 -1.850 0.805 35 HA TYR 4 HA TYR 4 5.856 -4.282 -0.656 36 1HB TYR 4 2HB TYR 4 3.511 -3.141 0.896 37 2HB TYR 4 1HB TYR 4 3.286 -4.562 -0.093 38 HD1 TYR 4 HD1 TYR 4 4.568 -6.673 0.329 39 HD2 TYR 4 HD2 TYR 4 4.485 -3.386 3.116 40 HE1 TYR 4 HE1 TYR 4 5.151 -8.217 2.187 41 HE2 TYR 4 HE2 TYR 4 4.981 -4.938 4.964 42 HH TYR 4 HH TYR 4 5.358 -7.130 5.563 43 H SER 5 H SER 5 4.782 -5.060 -2.444 44 HA SER 5 HA SER 5 3.332 -3.092 -4.184 45 1HB SER 5 1HB SER 5 5.284 -5.266 -5.052 46 2HB SER 5 2HB SER 5 4.503 -4.042 -6.069 47 HG SER 5 HG SER 5 6.200 -3.427 -3.870 48 H HIS 6 H HIS 6 3.759 -6.595 -3.346 49 HA HIS 6 HA HIS 6 1.963 -7.616 -5.177 50 1HB HIS 6 1HB HIS 6 1.743 -9.559 -3.900 51 2HB HIS 6 2HB HIS 6 3.359 -8.978 -3.562 52 HD1 HIS 6 HD1 HIS 6 2.539 -6.920 -1.248 53 HD2 HIS 6 HD2 HIS 6 1.142 -10.868 -1.571 54 HE1 HIS 6 HE1 HIS 6 1.929 -7.705 1.087 55 H LYS 7 H LYS 7 -0.210 -7.922 -5.414 56 HA LYS 7 HA LYS 7 -1.995 -6.181 -3.877 57 1HB LYS 7 2HB LYS 7 -3.730 -7.195 -5.465 58 2HB LYS 7 1HB LYS 7 -2.447 -6.231 -6.171 59 1HG LYS 7 1HG LYS 7 -3.033 -8.167 -7.498 60 2HG LYS 7 2HG LYS 7 -1.332 -8.179 -7.061 61 1HD LYS 7 1HD LYS 7 -1.743 -9.880 -5.332 62 2HD LYS 7 2HD LYS 7 -3.496 -9.799 -5.607 63 1HE LYS 7 2HE LYS 7 -1.416 -10.665 -7.679 64 2HE LYS 7 1HE LYS 7 -2.372 -11.768 -6.680 65 1HZ LYS 7 3HZ LYS 7 -4.351 -10.867 -7.659 66 2HZ LYS 7 2HZ LYS 7 -3.465 -9.873 -8.631 67 3HZ LYS 7 1HZ LYS 7 -3.352 -11.505 -8.803 68 H ALA 8 H ALA 8 -4.251 -7.435 -3.426 69 HA ALA 8 HA ALA 8 -4.010 -8.916 -1.093 70 1HB ALA 8 3HB ALA 8 -6.216 -9.044 -3.197 71 2HB ALA 8 2HB ALA 8 -6.347 -9.654 -1.532 72 3HB ALA 8 1HB ALA 8 -6.118 -7.924 -1.824 73 H SER 9 H SER 9 -2.394 -10.515 -1.239 74 HA SER 9 HA SER 9 -3.169 -13.152 -2.175 75 1HB SER 9 1HB SER 9 -1.290 -13.388 -3.756 76 2HB SER 9 2HB SER 9 -2.378 -12.114 -4.264 77 HG SER 9 HG SER 9 -0.925 -10.608 -3.187 78 H LEU 10 H LEU 10 -0.440 -14.015 -2.089 79 HA LEU 10 HA LEU 10 0.244 -13.574 0.755 80 1HB LEU 10 2HB LEU 10 -0.960 -15.663 0.607 81 2HB LEU 10 1HB LEU 10 0.087 -16.254 -0.672 82 HG LEU 10 HG LEU 10 2.024 -16.245 0.905 83 1HD1 LEU 10 1HD1 LEU 10 -0.100 -15.486 2.967 84 2HD1 LEU 10 2HD1 LEU 10 1.534 -16.065 3.349 85 3HD1 LEU 10 3HD1 LEU 10 1.324 -14.520 2.524 86 1HD2 LEU 10 3HD2 LEU 10 0.668 -18.268 0.528 87 2HD2 LEU 10 2HD2 LEU 10 1.274 -18.196 2.192 88 3HD2 LEU 10 1HD2 LEU 10 -0.422 -17.793 1.849 89 HA PRO 11 HA PRO 11 4.339 -14.668 -1.487 90 1HB PRO 11 2HB PRO 11 3.695 -13.606 -4.234 91 2HB PRO 11 1HB PRO 11 4.828 -14.890 -3.712 92 1HG PRO 11 2HG PRO 11 2.352 -15.509 -4.779 93 2HG PRO 11 1HG PRO 11 2.965 -16.413 -3.359 94 1HD PRO 11 1HD PRO 11 1.087 -14.011 -3.345 95 2HD PRO 11 2HD PRO 11 0.896 -15.586 -2.510 96 NH1 ARG 12 NH2 ARG 12 9.507 -9.668 2.554 97 NH2 ARG 12 NH1 ARG 12 8.048 -8.491 3.906 98 H ARG 12 H ARG 12 5.555 -13.105 -0.669 99 HA ARG 12 HA ARG 12 4.556 -10.341 -0.687 100 1HB ARG 12 1HB ARG 12 6.209 -9.862 0.926 101 2HB ARG 12 2HB ARG 12 5.279 -11.299 1.381 102 1HG ARG 12 2HG ARG 12 7.300 -12.669 0.459 103 2HG ARG 12 1HG ARG 12 8.172 -11.128 0.465 104 1HD ARG 12 2HD ARG 12 6.892 -12.561 2.819 105 2HD ARG 12 1HD ARG 12 8.610 -12.264 2.581 106 HE ARG 12 HE ARG 12 6.584 -10.476 3.661 107 1HH1 ARG 12 2HH2 ARG 12 9.708 -10.488 2.003 108 2HH1 ARG 12 1HH2 ARG 12 10.176 -8.913 2.590 109 1HH2 ARG 12 1HH1 ARG 12 7.128 -8.379 4.323 110 2HH2 ARG 12 2HH1 ARG 12 8.732 -7.757 4.013 111 H ALA 13 H ALA 13 4.984 -9.059 -2.283 112 HA ALA 13 HA ALA 13 7.671 -9.069 -3.616 113 1HB ALA 13 2HB ALA 13 5.807 -9.675 -5.157 114 2HB ALA 13 1HB ALA 13 5.023 -8.121 -4.794 115 3HB ALA 13 3HB ALA 13 6.609 -8.149 -5.576 116 H THR 14 H THR 14 8.794 -7.483 -2.638 117 HA THR 14 HA THR 14 7.492 -4.907 -1.915 118 HB THR 14 HB THR 14 9.250 -4.810 -0.142 119 HG1 THR 14 HG1 THR 14 10.524 -6.499 -1.353 120 1HG2 THR 14 1HG2 THR 14 7.226 -7.083 -0.094 121 2HG2 THR 14 2HG2 THR 14 8.311 -6.827 1.258 122 3HG2 THR 14 3HG2 THR 14 7.217 -5.525 0.765 123 H LYS 15 H LYS 15 8.537 -3.097 -2.697 124 HA LYS 15 HA LYS 15 10.906 -3.580 -4.480 125 1HB LYS 15 1HB LYS 15 10.041 -1.927 -5.995 126 2HB LYS 15 2HB LYS 15 8.809 -3.169 -5.729 127 1HG LYS 15 1HG LYS 15 7.708 -1.617 -4.058 128 2HG LYS 15 2HG LYS 15 8.879 -0.364 -4.495 129 1HD LYS 15 2HD LYS 15 8.089 -0.344 -6.801 130 2HD LYS 15 1HD LYS 15 7.036 -1.741 -6.492 131 1HE LYS 15 2HE LYS 15 5.764 -0.423 -4.808 132 2HE LYS 15 1HE LYS 15 6.776 0.993 -5.166 133 1HZ LYS 15 2HZ LYS 15 5.035 -0.410 -7.070 134 2HZ LYS 15 3HZ LYS 15 4.707 1.034 -6.353 135 3HZ LYS 15 1HZ LYS 15 5.961 0.910 -7.414 136 H THR 16 H THR 16 12.424 -1.893 -4.638 137 HA THR 16 HA THR 16 12.701 -0.229 -2.250 138 HB THR 16 HB THR 16 14.492 -0.361 -4.709 139 HG1 THR 16 HG1 THR 16 14.380 -2.079 -2.452 140 1HG2 THR 16 3HG2 THR 16 15.052 0.235 -1.757 141 2HG2 THR 16 1HG2 THR 16 16.261 0.175 -3.056 142 3HG2 THR 16 2HG2 THR 16 15.012 1.432 -3.070 143 H CYS 17 H CYS 17 12.342 1.971 -2.200 144 HA CYS 17 HA CYS 17 11.801 3.416 -4.738 145 1HB CYS 17 1HB CYS 17 9.735 2.490 -3.257 146 2HB CYS 17 2HB CYS 17 10.092 4.036 -2.463 147 H VAL 18 H VAL 18 11.531 5.777 -4.225 148 HA VAL 18 HA VAL 18 13.850 6.636 -2.560 149 HB VAL 18 HB VAL 18 12.303 8.086 -4.752 150 1HG1 VAL 18 1HG2 VAL 18 14.899 8.790 -3.310 151 2HG1 VAL 18 3HG2 VAL 18 14.238 9.645 -4.719 152 3HG1 VAL 18 2HG2 VAL 18 13.361 9.672 -3.187 153 1HG2 VAL 18 1HG1 VAL 18 15.009 6.677 -4.809 154 2HG2 VAL 18 3HG1 VAL 18 13.548 6.175 -5.688 155 3HG2 VAL 18 2HG1 VAL 18 14.351 7.690 -6.110 156 H GLU 19 H GLU 19 10.418 7.382 -3.212 157 HA GLU 19 HA GLU 19 9.938 9.581 -1.666 158 1HB GLU 19 1HB GLU 19 8.213 7.178 -2.153 159 2HB GLU 19 2HB GLU 19 7.640 8.594 -1.301 160 1HG GLU 19 1HG GLU 19 7.153 8.577 -3.747 161 2HG GLU 19 2HG GLU 19 7.836 10.048 -3.098 162 H ASN 20 H ASN 20 9.476 10.038 0.443 163 HA ASN 20 HA ASN 20 10.538 8.369 2.511 164 1HB ASN 20 2HB ASN 20 10.461 10.832 2.691 165 2HB ASN 20 1HB ASN 20 8.692 10.798 2.610 166 1HD2 ASN 20 2HD2 ASN 20 10.528 9.508 6.091 167 2HD2 ASN 20 1HD2 ASN 20 11.348 9.255 4.560 168 H THR 21 H THR 21 7.321 8.521 0.993 169 HA THR 21 HA THR 21 6.196 6.930 3.224 170 HB THR 21 HB THR 21 4.047 7.871 2.186 171 HG1 THR 21 HG1 THR 21 4.451 9.846 1.010 172 1HG2 THR 21 2HG2 THR 21 6.041 9.822 3.440 173 2HG2 THR 21 1HG2 THR 21 4.285 10.067 3.330 174 3HG2 THR 21 3HG2 THR 21 4.928 8.739 4.306 175 H CYS 22 H CYS 22 4.732 5.337 2.713 176 HA CYS 22 HA CYS 22 4.653 4.272 -0.045 177 1HB CYS 22 1HB CYS 22 4.509 2.535 2.432 178 2HB CYS 22 2HB CYS 22 4.599 2.053 0.751 179 OH TYR 23 OH TYR 23 -0.031 2.718 -5.704 180 H TYR 23 H TYR 23 2.601 2.817 -0.115 181 HA TYR 23 HA TYR 23 0.501 3.752 1.772 182 1HB TYR 23 1HB TYR 23 -1.038 4.279 0.069 183 2HB TYR 23 2HB TYR 23 0.423 5.214 -0.098 184 HD1 TYR 23 HD2 TYR 23 1.958 4.730 -2.140 185 HD2 TYR 23 HD1 TYR 23 -1.700 2.561 -1.499 186 HE1 TYR 23 HE2 TYR 23 1.821 4.204 -4.572 187 HE2 TYR 23 HE1 TYR 23 -1.959 2.290 -3.940 188 HH TYR 23 HH TYR 23 -0.602 1.956 -5.869 189 H LYS 24 H LYS 24 -1.292 2.563 1.673 190 HA LYS 24 HA LYS 24 -1.214 -0.123 0.408 191 1HB LYS 24 1HB LYS 24 -2.445 -0.863 2.607 192 2HB LYS 24 2HB LYS 24 -0.680 -0.823 2.516 193 1HG LYS 24 1HG LYS 24 -0.562 1.272 3.725 194 2HG LYS 24 2HG LYS 24 -2.334 1.399 3.721 195 1HD LYS 24 1HD LYS 24 -2.544 -0.594 5.096 196 2HD LYS 24 2HD LYS 24 -0.824 -0.949 4.966 197 1HE LYS 24 2HE LYS 24 -1.921 1.564 6.312 198 2HE LYS 24 1HE LYS 24 -1.553 0.056 7.162 199 1HZ LYS 24 1HZ LYS 24 0.377 1.653 5.642 200 2HZ LYS 24 2HZ LYS 24 0.235 1.612 7.282 201 3HZ LYS 24 3HZ LYS 24 0.708 0.263 6.467 202 H MET 25 H MET 25 -3.009 -0.494 -0.685 203 HA MET 25 HA MET 25 -5.210 1.509 -0.583 204 1HB MET 25 2HB MET 25 -3.947 1.387 -2.690 205 2HB MET 25 1HB MET 25 -4.387 -0.322 -2.748 206 1HG MET 25 1HG MET 25 -6.826 0.369 -2.731 207 2HG MET 25 2HG MET 25 -6.290 2.040 -2.882 208 1HE MET 25 2HE MET 25 -5.109 2.984 -5.005 209 2HE MET 25 1HE MET 25 -3.870 1.713 -5.113 210 3HE MET 25 3HE MET 25 -4.877 2.088 -6.524 211 H PHE 26 H PHE 26 -7.128 0.812 0.185 212 HA PHE 26 HA PHE 26 -7.773 -2.097 0.096 213 1HB PHE 26 1HB PHE 26 -9.059 -1.686 2.259 214 2HB PHE 26 2HB PHE 26 -7.308 -1.777 2.341 215 HD1 PHE 26 HD1 PHE 26 -9.612 1.198 1.629 216 HD2 PHE 26 HD2 PHE 26 -6.814 -0.699 4.316 217 HE1 PHE 26 HE1 PHE 26 -9.643 3.182 3.086 218 HE2 PHE 26 HE2 PHE 26 -7.025 1.224 5.835 219 HZ PHE 26 HZ PHE 26 -8.162 3.285 5.095 220 H ILE 27 H ILE 27 -10.189 -2.400 0.329 221 HA ILE 27 HA ILE 27 -11.562 -0.544 -1.498 222 HB ILE 27 HB ILE 27 -12.403 -3.037 0.013 223 1HG1 ILE 27 2HG1 ILE 27 -12.199 -2.271 -2.947 224 2HG1 ILE 27 1HG1 ILE 27 -11.046 -3.266 -2.049 225 1HG2 ILE 27 2HG2 ILE 27 -14.334 -1.439 0.047 226 2HG2 ILE 27 3HG2 ILE 27 -14.193 -1.261 -1.713 227 3HG2 ILE 27 1HG2 ILE 27 -14.646 -2.816 -0.985 228 1HD1 ILE 27 2HD1 ILE 27 -12.919 -4.905 -1.608 229 2HD1 ILE 27 3HD1 ILE 27 -13.916 -3.963 -2.749 230 3HD1 ILE 27 1HD1 ILE 27 -12.427 -4.735 -3.310 231 NH1 ARG 28 NH1 ARG 28 -18.120 5.358 0.474 232 NH2 ARG 28 NH2 ARG 28 -18.540 3.103 0.834 233 H ARG 28 H ARG 28 -12.587 1.235 -0.774 234 HA ARG 28 HA ARG 28 -12.064 2.412 1.713 235 1HB ARG 28 2HB ARG 28 -13.001 3.538 -0.362 236 2HB ARG 28 1HB ARG 28 -14.530 2.775 -0.004 237 1HG ARG 28 1HG ARG 28 -14.011 4.032 2.428 238 2HG ARG 28 2HG ARG 28 -13.215 5.123 1.298 239 1HD ARG 28 1HD ARG 28 -15.555 5.766 1.734 240 2HD ARG 28 2HD ARG 28 -15.321 5.342 0.023 241 HE ARG 28 HE ARG 28 -16.142 3.019 1.471 242 1HH1 ARG 28 1HH1 ARG 28 -17.466 6.126 0.475 243 2HH1 ARG 28 2HH1 ARG 28 -19.078 5.521 0.203 244 1HH2 ARG 28 1HH2 ARG 28 -18.172 2.168 0.985 245 2HH2 ARG 28 2HH2 ARG 28 -19.516 3.226 0.609 246 H THR 29 H THR 29 -15.088 0.890 0.684 247 HA THR 29 HA THR 29 -16.497 0.988 3.073 248 HB THR 29 HB THR 29 -16.753 -1.231 1.013 249 HG1 THR 29 HG1 THR 29 -17.644 0.219 -0.384 250 1HG2 THR 29 1HG2 THR 29 -18.812 0.518 2.455 251 2HG2 THR 29 2HG2 THR 29 -19.181 -0.770 1.290 252 3HG2 THR 29 3HG2 THR 29 -18.431 -1.169 2.843 253 H HIS 30 H HIS 30 -13.841 -1.255 2.225 254 HA HIS 30 HA HIS 30 -14.351 -2.860 4.649 255 1HB HIS 30 2HB HIS 30 -13.458 -3.789 1.893 256 2HB HIS 30 1HB HIS 30 -13.658 -4.755 3.333 257 HD1 HIS 30 HD1 HIS 30 -16.552 -3.206 3.977 258 HD2 HIS 30 HD2 HIS 30 -15.435 -5.219 0.472 259 HE1 HIS 30 HE1 HIS 30 -18.686 -3.893 2.785 260 NH1 ARG 31 NH2 ARG 31 -11.214 4.187 5.172 261 NH2 ARG 31 NH1 ARG 31 -13.037 5.251 6.111 262 H ARG 31 H ARG 31 -12.830 -0.975 5.284 263 HA ARG 31 HA ARG 31 -10.290 -0.608 4.340 264 1HB ARG 31 2HB ARG 31 -11.113 -0.668 7.282 265 2HB ARG 31 1HB ARG 31 -9.712 0.146 6.574 266 1HG ARG 31 1HG ARG 31 -11.342 1.478 5.129 267 2HG ARG 31 2HG ARG 31 -12.645 0.843 6.142 268 1HD ARG 31 1HD ARG 31 -11.464 1.714 8.174 269 2HD ARG 31 2HD ARG 31 -10.272 2.495 7.133 270 HE ARG 31 HE ARG 31 -12.949 3.373 7.764 271 1HH1 ARG 31 2HH2 ARG 31 -10.575 3.408 5.170 272 2HH1 ARG 31 1HH2 ARG 31 -11.174 4.876 4.429 273 1HH2 ARG 31 1HH1 ARG 31 -13.753 5.298 6.820 274 2HH2 ARG 31 2HH1 ARG 31 -12.996 5.962 5.396 275 H GLU 32 H GLU 32 -11.393 -3.240 6.427 276 HA GLU 32 HA GLU 32 -8.751 -4.342 6.925 277 1HB GLU 32 1HB GLU 32 -11.562 -5.446 7.383 278 2HB GLU 32 2HB GLU 32 -10.057 -6.113 8.024 279 1HG GLU 32 1HG GLU 32 -9.602 -3.960 9.194 280 2HG GLU 32 2HG GLU 32 -11.172 -3.342 8.663 281 OH TYR 33 OH TYR 33 -9.000 -8.128 -2.883 282 H TYR 33 H TYR 33 -8.999 -4.046 4.204 283 HA TYR 33 HA TYR 33 -8.442 -6.757 3.279 284 1HB TYR 33 1HB TYR 33 -10.834 -6.741 2.872 285 2HB TYR 33 2HB TYR 33 -10.750 -5.127 2.165 286 HD1 TYR 33 HD1 TYR 33 -9.306 -8.572 1.641 287 HD2 TYR 33 HD2 TYR 33 -10.637 -4.888 -0.157 288 HE1 TYR 33 HE1 TYR 33 -8.738 -9.458 -0.598 289 HE2 TYR 33 HE2 TYR 33 -10.075 -5.783 -2.402 290 HH TYR 33 HH TYR 33 -8.641 -9.017 -2.868 291 H ILE 34 H ILE 34 -6.325 -6.005 2.916 292 HA ILE 34 HA ILE 34 -5.882 -3.487 1.494 293 HB ILE 34 HB ILE 34 -3.839 -5.657 2.109 294 1HG1 ILE 34 1HG1 ILE 34 -4.794 -5.133 4.248 295 2HG1 ILE 34 2HG1 ILE 34 -3.238 -4.328 4.104 296 1HG2 ILE 34 1HG2 ILE 34 -3.694 -2.674 1.453 297 2HG2 ILE 34 2HG2 ILE 34 -2.326 -3.627 2.051 298 3HG2 ILE 34 3HG2 ILE 34 -3.077 -4.026 0.495 299 1HD1 ILE 34 3HD1 ILE 34 -4.442 -2.175 3.576 300 2HD1 ILE 34 1HD1 ILE 34 -5.982 -3.026 3.852 301 3HD1 ILE 34 2HD1 ILE 34 -4.821 -2.842 5.170 302 H SER 35 H SER 35 -6.331 -3.396 -0.594 303 HA SER 35 HA SER 35 -6.647 -5.768 -2.253 304 1HB SER 35 1HB SER 35 -6.889 -2.866 -3.112 305 2HB SER 35 2HB SER 35 -7.712 -4.305 -3.741 306 HG SER 35 HG SER 35 -8.454 -4.332 -1.322 307 H GLU 36 H GLU 36 -4.567 -2.835 -2.144 308 HA GLU 36 HA GLU 36 -2.515 -4.096 -3.884 309 1HB GLU 36 1HB GLU 36 -3.958 -3.137 -5.469 310 2HB GLU 36 2HB GLU 36 -4.100 -1.618 -4.605 311 1HG GLU 36 1HG GLU 36 -1.368 -2.539 -5.610 312 2HG GLU 36 2HG GLU 36 -2.556 -1.913 -6.707 313 NH1 ARG 37 NH1 ARG 37 -0.949 -7.044 -0.209 314 NH2 ARG 37 NH2 ARG 37 -0.992 -6.871 2.107 315 H ARG 37 H ARG 37 -0.533 -2.625 -3.882 316 HA ARG 37 HA ARG 37 -0.384 -0.767 -1.614 317 1HB ARG 37 1HB ARG 37 1.527 -3.134 -2.007 318 2HB ARG 37 2HB ARG 37 1.861 -1.710 -1.022 319 1HG ARG 37 2HG ARG 37 1.161 -2.996 0.610 320 2HG ARG 37 1HG ARG 37 -0.329 -2.183 0.153 321 1HD ARG 37 1HD ARG 37 -1.021 -4.312 -1.032 322 2HD ARG 37 2HD ARG 37 0.655 -4.892 -0.916 323 HE ARG 37 HE ARG 37 -0.271 -4.539 1.712 324 1HH1 ARG 37 1HH1 ARG 37 -0.697 -6.646 -1.109 325 2HH1 ARG 37 2HH1 ARG 37 -1.196 -8.022 -0.167 326 1HH2 ARG 37 1HH2 ARG 37 -0.801 -6.305 2.942 327 2HH2 ARG 37 2HH2 ARG 37 -1.268 -7.834 2.214 328 H GLY 38 H GLY 38 1.582 0.424 -1.678 329 1HA GLY 38 1HA GLY 38 3.345 0.305 -3.945 330 2HA GLY 38 2HA GLY 38 2.111 1.493 -4.324 331 H CYS 39 H CYS 39 4.040 2.851 -4.507 332 HA CYS 39 HA CYS 39 5.334 3.785 -1.993 333 1HB CYS 39 2HB CYS 39 6.933 2.779 -3.447 334 2HB CYS 39 1HB CYS 39 6.245 3.576 -4.871 335 H GLY 40 H GLY 40 5.545 6.053 -1.643 336 1HA GLY 40 1HA GLY 40 5.045 8.281 -1.765 337 2HA GLY 40 2HA GLY 40 5.069 8.080 -3.488 338 H CYS 41 H CYS 41 3.169 7.359 -1.041 339 HA CYS 41 HA CYS 41 0.683 6.614 -1.655 340 1HB CYS 41 1HB CYS 41 1.460 7.189 0.615 341 2HB CYS 41 2HB CYS 41 1.173 8.891 0.259 342 HA PRO 42 HA PRO 42 -1.165 9.976 -4.087 343 1HB PRO 42 1HB PRO 42 -2.128 8.577 -6.175 344 2HB PRO 42 2HB PRO 42 -0.375 8.841 -5.992 345 1HG PRO 42 2HG PRO 42 -1.998 6.390 -5.227 346 2HG PRO 42 1HG PRO 42 -0.451 6.436 -6.119 347 1HD PRO 42 1HD PRO 42 -0.743 6.038 -3.360 348 2HD PRO 42 2HD PRO 42 0.759 6.640 -4.143 349 H THR 43 H THR 43 -3.502 10.111 -4.902 350 HA THR 43 HA THR 43 -5.337 9.143 -2.845 351 HB THR 43 HB THR 43 -6.065 10.656 -5.375 352 HG1 THR 43 HG1 THR 43 -4.728 11.624 -3.072 353 1HG2 THR 43 3HG2 THR 43 -7.067 10.794 -2.485 354 2HG2 THR 43 2HG2 THR 43 -7.608 11.842 -3.810 355 3HG2 THR 43 1HG2 THR 43 -7.944 10.108 -3.873 356 H ALA 44 H ALA 44 -7.402 8.016 -3.477 357 HA ALA 44 HA ALA 44 -7.419 6.562 -6.029 358 1HB ALA 44 1HB ALA 44 -7.440 5.180 -3.307 359 2HB ALA 44 2HB ALA 44 -7.792 4.400 -4.866 360 3HB ALA 44 3HB ALA 44 -6.172 5.056 -4.545 361 H MET 45 H MET 45 -9.559 6.099 -6.649 362 HA MET 45 HA MET 45 -11.676 7.417 -5.073 363 1HB MET 45 1HB MET 45 -11.492 6.546 -7.996 364 2HB MET 45 2HB MET 45 -12.829 7.416 -7.235 365 1HG MET 45 1HG MET 45 -11.175 9.231 -6.601 366 2HG MET 45 2HG MET 45 -9.985 8.420 -7.624 367 1HE MET 45 1HE MET 45 -10.730 11.456 -7.862 368 2HE MET 45 2HE MET 45 -9.550 10.657 -8.932 369 3HE MET 45 3HE MET 45 -10.853 11.649 -9.626 370 CH2 TRP 46 CH2 TRP 46 -20.284 2.237 -3.452 371 H TRP 46 H TRP 46 -13.847 6.379 -5.199 372 HA TRP 46 HA TRP 46 -13.748 3.881 -4.001 373 1HB TRP 46 1HB TRP 46 -15.566 5.802 -4.025 374 2HB TRP 46 2HB TRP 46 -16.189 4.948 -5.419 375 HD1 TRP 46 HD1 TRP 46 -14.946 3.596 -2.001 376 HE1 TRP 46 HE1 TRP 46 -16.810 2.096 -0.970 377 HE3 TRP 46 HE3 TRP 46 -18.510 4.403 -5.449 378 HZ2 TRP 46 HZ2 TRP 46 -19.508 1.347 -1.640 379 HZ3 TRP 46 HZ3 TRP 46 -20.773 3.287 -5.275 380 HH2 TRP 46 HH2 TRP 46 -21.249 1.758 -3.374 381 HA PRO 47 HA PRO 47 -15.268 1.668 -4.048 382 1HB PRO 47 1HB PRO 47 -14.308 -0.831 -4.186 383 2HB PRO 47 2HB PRO 47 -15.718 -0.263 -5.120 384 1HG PRO 47 2HG PRO 47 -12.839 -0.435 -6.080 385 2HG PRO 47 1HG PRO 47 -14.290 -1.117 -6.875 386 1HD PRO 47 2HD PRO 47 -13.300 1.311 -7.603 387 2HD PRO 47 1HD PRO 47 -15.064 1.057 -7.502 388 OH TYR 48 OH TYR 48 -9.842 -3.346 -6.934 389 H TYR 48 H TYR 48 -11.969 2.207 -5.113 390 HA TYR 48 HA TYR 48 -10.799 1.062 -2.679 391 1HB TYR 48 1HB TYR 48 -9.588 2.502 -5.057 392 2HB TYR 48 2HB TYR 48 -8.681 1.798 -3.720 393 HD1 TYR 48 HD2 TYR 48 -9.395 -0.800 -3.204 394 HD2 TYR 48 HD1 TYR 48 -9.799 1.206 -7.005 395 HE1 TYR 48 HE2 TYR 48 -9.637 -2.984 -4.341 396 HE2 TYR 48 HE1 TYR 48 -9.918 -0.983 -8.144 397 HH TYR 48 HH TYR 48 -9.908 -3.281 -7.888 398 H GLN 49 H GLN 49 -9.279 2.169 -1.452 399 HA GLN 49 HA GLN 49 -9.099 5.078 -1.570 400 1HB GLN 49 2HB GLN 49 -10.999 4.421 0.168 401 2HB GLN 49 1HB GLN 49 -9.607 3.776 1.051 402 1HG GLN 49 1HG GLN 49 -8.609 6.219 0.634 403 2HG GLN 49 2HG GLN 49 -10.318 6.626 0.477 404 1HE2 GLN 49 2HE2 GLN 49 -8.642 6.029 4.119 405 2HE2 GLN 49 1HE2 GLN 49 -7.694 6.026 2.638 406 H THR 50 H THR 50 -7.114 5.646 -0.789 407 HA THR 50 HA THR 50 -5.176 3.543 0.001 408 HB THR 50 HB THR 50 -3.640 5.691 -0.439 409 HG1 THR 50 HG1 THR 50 -4.516 6.985 -2.027 410 1HG2 THR 50 2HG2 THR 50 -3.621 3.528 -1.647 411 2HG2 THR 50 1HG2 THR 50 -4.890 4.126 -2.724 412 3HG2 THR 50 3HG2 THR 50 -3.289 4.916 -2.701 413 H GLU 51 H GLU 51 -3.856 3.774 1.767 414 HA GLU 51 HA GLU 51 -4.119 6.210 3.410 415 1HB GLU 51 1HB GLU 51 -4.335 5.117 5.463 416 2HB GLU 51 2HB GLU 51 -5.686 4.596 4.443 417 1HG GLU 51 1HG GLU 51 -4.512 2.461 3.984 418 2HG GLU 51 2HG GLU 51 -3.131 3.090 4.917 419 H CYS 52 H CYS 52 -2.156 6.878 4.107 420 HA CYS 52 HA CYS 52 0.121 5.585 2.828 421 1HB CYS 52 2HB CYS 52 0.131 8.129 4.395 422 2HB CYS 52 1HB CYS 52 1.162 7.666 3.048 423 H CYS 53 H CYS 53 2.229 5.600 3.977 424 HA CYS 53 HA CYS 53 2.372 5.967 6.842 425 1HB CYS 53 1HB CYS 53 3.130 3.724 7.404 426 2HB CYS 53 2HB CYS 53 1.488 3.650 6.750 427 H LYS 54 H LYS 54 4.833 5.507 7.480 428 HA LYS 54 HA LYS 54 6.643 5.625 5.180 429 1HB LYS 54 2HB LYS 54 7.931 7.216 6.674 430 2HB LYS 54 1HB LYS 54 6.655 7.890 5.656 431 1HG LYS 54 2HG LYS 54 5.140 7.906 7.675 432 2HG LYS 54 1HG LYS 54 6.516 7.397 8.673 433 1HD LYS 54 1HD LYS 54 6.434 9.890 6.898 434 2HD LYS 54 2HD LYS 54 6.009 9.899 8.614 435 1HE LYS 54 1HE LYS 54 8.258 9.318 9.277 436 2HE LYS 54 2HE LYS 54 8.747 9.012 7.601 437 1HZ LYS 54 1HZ LYS 54 7.901 11.622 8.602 438 2HZ LYS 54 2HZ LYS 54 9.460 11.144 8.353 439 3HZ LYS 54 3HZ LYS 54 8.423 11.255 7.076 440 H GLY 55 H GLY 55 8.383 4.361 5.545 441 1HA GLY 55 1HA GLY 55 9.909 3.524 7.464 442 2HA GLY 55 2HA GLY 55 8.435 2.711 8.021 443 H ASP 56 H ASP 56 10.923 1.422 6.964 444 HA ASP 56 HA ASP 56 10.631 0.615 4.253 445 1HB ASP 56 1HB ASP 56 12.124 -1.242 4.957 446 2HB ASP 56 2HB ASP 56 12.735 0.350 5.417 447 NH1 ARG 57 NH1 ARG 57 11.890 -5.691 4.079 448 NH2 ARG 57 NH2 ARG 57 11.254 -6.390 1.964 449 H ARG 57 H ARG 57 9.106 -0.552 3.402 450 HA ARG 57 HA ARG 57 7.159 -1.645 3.130 451 1HB ARG 57 1HB ARG 57 7.218 -4.013 3.797 452 2HB ARG 57 2HB ARG 57 8.662 -3.469 2.970 453 1HG ARG 57 2HG ARG 57 9.959 -3.489 5.016 454 2HG ARG 57 1HG ARG 57 8.500 -3.758 5.996 455 1HD ARG 57 1HD ARG 57 9.760 -5.865 5.658 456 2HD ARG 57 2HD ARG 57 8.135 -5.908 4.989 457 HE ARG 57 HE ARG 57 8.940 -5.936 2.812 458 1HH1 ARG 57 1HH1 ARG 57 11.641 -5.319 4.983 459 2HH1 ARG 57 2HH1 ARG 57 12.865 -5.804 3.845 460 1HH2 ARG 57 1HH2 ARG 57 10.552 -6.565 1.248 461 2HH2 ARG 57 2HH2 ARG 57 12.224 -6.505 1.709 462 H CYS 58 H CYS 58 6.933 0.288 5.205 463 HA CYS 58 HA CYS 58 5.520 -0.704 7.452 464 1HB CYS 58 2HB CYS 58 4.684 1.583 7.626 465 2HB CYS 58 1HB CYS 58 6.411 1.565 7.270 466 H ASN 59 H ASN 59 4.529 -0.273 4.106 467 HA ASN 59 HA ASN 59 1.668 -0.124 4.626 468 1HB ASN 59 1HB ASN 59 1.546 -0.075 2.205 469 2HB ASN 59 2HB ASN 59 2.628 1.172 2.812 470 1HD2 ASN 59 2HD2 ASN 59 4.042 -0.597 -0.253 471 2HD2 ASN 59 1HD2 ASN 59 2.676 0.408 0.182 472 H LYS 60 H LYS 60 2.242 -2.270 5.914 473 HA LYS 60 HA LYS 60 2.182 -4.723 4.331 474 1HB LYS 60 1HB LYS 60 1.717 -5.823 6.457 475 2HB LYS 60 2HB LYS 60 3.085 -4.708 6.603 476 1HG LYS 60 2HG LYS 60 1.594 -3.021 7.677 477 2HG LYS 60 1HG LYS 60 0.229 -4.137 7.510 478 1HD LYS 60 1HD LYS 60 1.400 -5.792 8.934 479 2HD LYS 60 2HD LYS 60 2.783 -4.687 9.090 480 1HE LYS 60 1HE LYS 60 1.309 -2.995 10.168 481 2HE LYS 60 2HE LYS 60 -0.073 -4.098 10.012 482 1HZ LYS 60 3HZ LYS 60 1.082 -5.642 11.418 483 2HZ LYS 60 1HZ LYS 60 2.366 -4.617 11.565 484 3HZ LYS 60 2HZ LYS 60 0.897 -4.192 12.179 Start of MODEL 11 Raw file had 484 H/Q atoms Start of MODEL 11 1 NH1 ARG 1 NH1 ARG 1 11.636 6.249 4.918 2 NH2 ARG 1 NH2 ARG 1 13.382 7.387 3.954 3 1H ARG 1 3H ARG 1 12.675 4.624 -1.338 4 2H ARG 1 1H ARG 1 11.374 5.423 -0.727 5 3H ARG 1 2H ARG 1 12.860 5.855 -0.235 6 HA ARG 1 HA ARG 1 13.126 3.898 1.005 7 1HB ARG 1 2HB ARG 1 11.364 5.614 1.802 8 2HB ARG 1 1HB ARG 1 10.134 4.525 1.172 9 1HG ARG 1 2HG ARG 1 10.385 4.358 3.562 10 2HG ARG 1 1HG ARG 1 10.726 2.830 2.802 11 1HD ARG 1 2HD ARG 1 12.346 3.523 4.693 12 2HD ARG 1 1HD ARG 1 13.122 3.055 3.196 13 HE ARG 1 HE ARG 1 14.052 5.127 3.098 14 1HH1 ARG 1 2HH1 ARG 1 11.143 5.397 5.122 15 2HH1 ARG 1 1HH1 ARG 1 11.286 7.137 5.266 16 1HH2 ARG 1 2HH2 ARG 1 14.242 7.421 3.429 17 2HH2 ARG 1 1HH2 ARG 1 12.990 8.238 4.350 18 H ILE 2 H ILE 2 12.058 1.700 1.654 19 HA ILE 2 HA ILE 2 11.383 0.185 -0.785 20 HB ILE 2 HB ILE 2 11.692 -0.692 2.132 21 1HG1 ILE 2 2HG1 ILE 2 13.841 0.107 1.426 22 2HG1 ILE 2 1HG1 ILE 2 13.862 -1.655 1.425 23 1HG2 ILE 2 2HG2 ILE 2 11.458 -2.310 -0.444 24 2HG2 ILE 2 3HG2 ILE 2 11.922 -2.972 1.136 25 3HG2 ILE 2 1HG2 ILE 2 10.320 -2.272 0.908 26 1HD1 ILE 2 2HD1 ILE 2 13.460 -1.587 -1.086 27 2HD1 ILE 2 1HD1 ILE 2 13.644 0.183 -0.984 28 3HD1 ILE 2 3HD1 ILE 2 14.993 -0.876 -0.552 29 H CYS 3 H CYS 3 9.255 -0.601 -1.187 30 HA CYS 3 HA CYS 3 7.244 -0.272 0.975 31 1HB CYS 3 1HB CYS 3 6.702 0.812 -1.815 32 2HB CYS 3 2HB CYS 3 5.652 0.813 -0.427 33 OH TYR 4 OH TYR 4 4.801 -7.191 4.603 34 H TYR 4 H TYR 4 5.441 -1.638 0.702 35 HA TYR 4 HA TYR 4 5.910 -4.028 -0.790 36 1HB TYR 4 2HB TYR 4 3.653 -2.851 0.739 37 2HB TYR 4 1HB TYR 4 3.268 -4.148 -0.374 38 HD1 TYR 4 HD2 TYR 4 5.865 -3.457 2.279 39 HD2 TYR 4 HD1 TYR 4 3.093 -6.244 0.511 40 HE1 TYR 4 HE2 TYR 4 6.114 -4.950 4.225 41 HE2 TYR 4 HE1 TYR 4 3.285 -7.680 2.501 42 HH TYR 4 HH TYR 4 3.921 -7.106 5.015 43 H SER 5 H SER 5 4.847 -4.858 -2.551 44 HA SER 5 HA SER 5 2.899 -3.305 -4.107 45 1HB SER 5 1HB SER 5 5.648 -3.977 -5.256 46 2HB SER 5 2HB SER 5 4.243 -3.464 -6.209 47 HG SER 5 HG SER 5 4.606 -1.780 -4.134 48 H HIS 6 H HIS 6 2.493 -5.520 -2.636 49 HA HIS 6 HA HIS 6 2.809 -7.940 -4.247 50 1HB HIS 6 2HB HIS 6 1.631 -9.035 -2.429 51 2HB HIS 6 1HB HIS 6 2.870 -8.006 -1.826 52 HD1 HIS 6 HD1 HIS 6 -0.135 -6.006 -2.741 53 HD2 HIS 6 HD2 HIS 6 1.136 -8.230 0.589 54 HE1 HIS 6 HE1 HIS 6 -1.611 -5.362 -0.789 55 H LYS 7 H LYS 7 0.890 -9.286 -4.591 56 HA LYS 7 HA LYS 7 -0.818 -7.973 -6.514 57 1HB LYS 7 1HB LYS 7 -2.046 -10.142 -6.580 58 2HB LYS 7 2HB LYS 7 -0.328 -10.250 -6.932 59 1HG LYS 7 1HG LYS 7 0.194 -11.412 -5.042 60 2HG LYS 7 2HG LYS 7 -1.143 -10.783 -4.070 61 1HD LYS 7 2HD LYS 7 -1.600 -12.645 -6.431 62 2HD LYS 7 1HD LYS 7 -1.291 -13.238 -4.794 63 1HE LYS 7 2HE LYS 7 -3.236 -11.981 -3.922 64 2HE LYS 7 1HE LYS 7 -3.606 -11.395 -5.552 65 1HZ LYS 7 3HZ LYS 7 -3.565 -14.204 -4.710 66 2HZ LYS 7 2HZ LYS 7 -4.905 -13.285 -4.978 67 3HZ LYS 7 1HZ LYS 7 -3.903 -13.661 -6.230 68 H ALA 8 H ALA 8 -1.290 -8.848 -3.133 69 HA ALA 8 HA ALA 8 -3.263 -7.012 -2.484 70 1HB ALA 8 1HB ALA 8 -4.361 -9.814 -3.060 71 2HB ALA 8 2HB ALA 8 -5.207 -8.544 -2.159 72 3HB ALA 8 3HB ALA 8 -4.865 -8.311 -3.870 73 H SER 9 H SER 9 -4.218 -7.914 -0.141 74 HA SER 9 HA SER 9 -1.819 -8.744 1.270 75 1HB SER 9 2HB SER 9 -3.479 -8.814 3.238 76 2HB SER 9 1HB SER 9 -3.117 -7.272 2.481 77 HG SER 9 HG SER 9 -5.350 -8.948 1.959 78 H LEU 10 H LEU 10 -1.366 -10.665 0.237 79 HA LEU 10 HA LEU 10 -2.230 -12.925 1.844 80 1HB LEU 10 2HB LEU 10 -3.878 -13.153 0.167 81 2HB LEU 10 1HB LEU 10 -2.757 -12.967 -1.142 82 HG LEU 10 HG LEU 10 -1.639 -15.164 -0.300 83 1HD1 LEU 10 1HD2 LEU 10 -4.120 -15.205 1.469 84 2HD1 LEU 10 3HD2 LEU 10 -3.050 -16.587 1.164 85 3HD1 LEU 10 2HD2 LEU 10 -2.428 -15.172 2.017 86 1HD2 LEU 10 2HD1 LEU 10 -3.219 -15.102 -2.204 87 2HD2 LEU 10 1HD1 LEU 10 -3.407 -16.584 -1.251 88 3HD2 LEU 10 3HD1 LEU 10 -4.584 -15.264 -1.078 89 HA PRO 11 HA PRO 11 2.061 -13.839 0.305 90 1HB PRO 11 1HB PRO 11 3.003 -13.311 -2.170 91 2HB PRO 11 2HB PRO 11 1.861 -14.665 -1.907 92 1HG PRO 11 1HG PRO 11 1.203 -11.845 -2.826 93 2HG PRO 11 2HG PRO 11 0.716 -13.390 -3.589 94 1HD PRO 11 2HD PRO 11 -0.898 -12.001 -1.797 95 2HD PRO 11 1HD PRO 11 -0.890 -13.799 -1.909 96 NH1 ARG 12 NH2 ARG 12 0.319 -10.371 3.265 97 NH2 ARG 12 NH1 ARG 12 0.993 -8.388 4.242 98 H ARG 12 H ARG 12 4.106 -12.517 0.311 99 HA ARG 12 HA ARG 12 3.520 -9.585 0.510 100 1HB ARG 12 1HB ARG 12 6.004 -10.537 1.695 101 2HB ARG 12 2HB ARG 12 4.847 -9.390 2.302 102 1HG ARG 12 2HG ARG 12 4.728 -12.414 2.601 103 2HG ARG 12 1HG ARG 12 5.085 -11.223 3.848 104 1HD ARG 12 2HD ARG 12 2.415 -11.698 2.500 105 2HD ARG 12 1HD ARG 12 2.840 -12.039 4.168 106 HE ARG 12 HE ARG 12 3.283 -9.392 4.123 107 1HH1 ARG 12 1HH2 ARG 12 0.517 -11.294 2.888 108 2HH1 ARG 12 2HH2 ARG 12 -0.637 -10.059 3.296 109 1HH2 ARG 12 1HH1 ARG 12 1.699 -7.792 4.683 110 2HH2 ARG 12 2HH1 ARG 12 0.049 -8.037 4.219 111 H ALA 13 H ALA 13 4.724 -8.287 -0.793 112 HA ALA 13 HA ALA 13 7.248 -9.167 -1.983 113 1HB ALA 13 2HB ALA 13 5.576 -10.075 -3.600 114 2HB ALA 13 3HB ALA 13 4.893 -8.442 -3.774 115 3HB ALA 13 1HB ALA 13 6.552 -8.768 -4.300 116 H THR 14 H THR 14 8.562 -7.389 -2.342 117 HA THR 14 HA THR 14 7.400 -4.676 -2.007 118 HB THR 14 HB THR 14 9.493 -4.222 -0.670 119 HG1 THR 14 HG1 THR 14 10.610 -6.131 -1.465 120 1HG2 THR 14 2HG2 THR 14 7.621 -6.328 0.499 121 2HG2 THR 14 3HG2 THR 14 8.835 -5.428 1.423 122 3HG2 THR 14 1HG2 THR 14 7.516 -4.556 0.642 123 H LYS 15 H LYS 15 8.710 -2.945 -2.707 124 HA LYS 15 HA LYS 15 10.800 -3.591 -4.702 125 1HB LYS 15 2HB LYS 15 9.867 -2.157 -6.360 126 2HB LYS 15 1HB LYS 15 8.593 -3.299 -5.917 127 1HG LYS 15 1HG LYS 15 7.551 -1.551 -4.468 128 2HG LYS 15 2HG LYS 15 8.840 -0.412 -4.905 129 1HD LYS 15 1HD LYS 15 8.210 -0.653 -7.320 130 2HD LYS 15 2HD LYS 15 6.823 -1.638 -6.807 131 1HE LYS 15 2HE LYS 15 6.071 0.300 -5.360 132 2HE LYS 15 1HE LYS 15 7.401 1.264 -6.030 133 1HZ LYS 15 2HZ LYS 15 6.438 0.945 -8.198 134 2HZ LYS 15 1HZ LYS 15 5.202 0.061 -7.557 135 3HZ LYS 15 3HZ LYS 15 5.357 1.657 -7.177 136 H THR 16 H THR 16 11.961 -1.513 -5.265 137 HA THR 16 HA THR 16 12.232 0.177 -2.828 138 HB THR 16 HB THR 16 14.245 -1.090 -3.613 139 HG1 THR 16 HG1 THR 16 15.550 0.782 -3.428 140 1HG2 THR 16 3HG2 THR 16 13.847 -0.826 -6.101 141 2HG2 THR 16 1HG2 THR 16 14.224 0.903 -5.934 142 3HG2 THR 16 2HG2 THR 16 15.460 -0.311 -5.573 143 H CYS 17 H CYS 17 11.969 2.361 -2.993 144 HA CYS 17 HA CYS 17 11.349 3.614 -5.612 145 1HB CYS 17 1HB CYS 17 9.338 2.867 -4.034 146 2HB CYS 17 2HB CYS 17 9.850 4.343 -3.202 147 H VAL 18 H VAL 18 11.159 6.106 -5.075 148 HA VAL 18 HA VAL 18 13.620 6.859 -3.641 149 HB VAL 18 HB VAL 18 13.220 9.023 -4.683 150 1HG1 VAL 18 1HG2 VAL 18 14.579 7.266 -5.778 151 2HG1 VAL 18 3HG2 VAL 18 13.144 6.721 -6.672 152 3HG1 VAL 18 2HG2 VAL 18 13.807 8.342 -6.953 153 1HG2 VAL 18 1HG1 VAL 18 10.807 7.788 -6.078 154 2HG2 VAL 18 2HG1 VAL 18 10.828 9.207 -5.001 155 3HG2 VAL 18 3HG1 VAL 18 11.625 9.277 -6.562 156 H GLU 19 H GLU 19 10.144 7.701 -3.671 157 HA GLU 19 HA GLU 19 10.047 9.590 -1.706 158 1HB GLU 19 2HB GLU 19 8.020 7.344 -2.098 159 2HB GLU 19 1HB GLU 19 7.684 8.864 -1.273 160 1HG GLU 19 1HG GLU 19 8.428 8.537 -4.176 161 2HG GLU 19 2HG GLU 19 6.836 8.957 -3.590 162 H ASN 20 H ASN 20 9.732 9.753 0.411 163 HA ASN 20 HA ASN 20 10.897 7.792 2.175 164 1HB ASN 20 1HB ASN 20 11.130 10.194 2.554 165 2HB ASN 20 2HB ASN 20 9.374 10.391 2.641 166 1HD2 ASN 20 1HD2 ASN 20 9.210 9.529 6.069 167 2HD2 ASN 20 2HD2 ASN 20 8.340 10.068 4.648 168 H THR 21 H THR 21 7.631 8.312 0.896 169 HA THR 21 HA THR 21 6.443 6.889 3.231 170 HB THR 21 HB THR 21 4.339 7.948 2.047 171 HG1 THR 21 HG1 THR 21 5.013 10.006 1.127 172 1HG2 THR 21 1HG2 THR 21 6.357 9.594 3.626 173 2HG2 THR 21 3HG2 THR 21 4.643 10.006 3.399 174 3HG2 THR 21 2HG2 THR 21 5.084 8.545 4.294 175 H CYS 22 H CYS 22 4.599 5.508 2.705 176 HA CYS 22 HA CYS 22 4.584 4.243 0.046 177 1HB CYS 22 1HB CYS 22 4.503 2.649 2.626 178 2HB CYS 22 2HB CYS 22 4.565 2.075 0.986 179 OH TYR 23 OH TYR 23 -0.144 2.674 -5.559 180 H TYR 23 H TYR 23 2.544 2.821 -0.004 181 HA TYR 23 HA TYR 23 0.467 3.658 1.934 182 1HB TYR 23 1HB TYR 23 -1.154 4.148 0.226 183 2HB TYR 23 2HB TYR 23 0.249 5.164 0.008 184 HD1 TYR 23 HD2 TYR 23 -1.631 2.216 -1.303 185 HD2 TYR 23 HD1 TYR 23 1.718 4.819 -1.994 186 HE1 TYR 23 HE2 TYR 23 -1.639 1.587 -3.695 187 HE2 TYR 23 HE1 TYR 23 1.590 4.330 -4.427 188 HH TYR 23 HH TYR 23 0.463 3.187 -6.096 189 H LYS 24 H LYS 24 -1.402 2.480 1.778 190 HA LYS 24 HA LYS 24 -1.246 -0.121 0.415 191 1HB LYS 24 1HB LYS 24 -2.169 -1.290 2.430 192 2HB LYS 24 2HB LYS 24 -0.500 -0.717 2.588 193 1HG LYS 24 1HG LYS 24 -1.335 1.251 3.877 194 2HG LYS 24 2HG LYS 24 -2.946 0.486 3.853 195 1HD LYS 24 1HD LYS 24 -2.133 -1.468 5.008 196 2HD LYS 24 2HD LYS 24 -0.446 -0.945 4.871 197 1HE LYS 24 2HE LYS 24 -2.597 0.439 6.533 198 2HE LYS 24 1HE LYS 24 -1.324 -0.623 7.144 199 1HZ LYS 24 1HZ LYS 24 0.302 0.922 6.322 200 2HZ LYS 24 3HZ LYS 24 -0.878 1.942 5.788 201 3HZ LYS 24 2HZ LYS 24 -0.715 1.643 7.398 202 H MET 25 H MET 25 -2.895 -0.333 -0.782 203 HA MET 25 HA MET 25 -5.204 1.513 -0.580 204 1HB MET 25 1HB MET 25 -3.862 1.418 -2.654 205 2HB MET 25 2HB MET 25 -4.381 -0.264 -2.794 206 1HG MET 25 1HG MET 25 -6.786 0.555 -2.757 207 2HG MET 25 2HG MET 25 -6.160 2.199 -2.831 208 1HE MET 25 2HE MET 25 -4.499 2.941 -4.830 209 2HE MET 25 1HE MET 25 -3.611 1.410 -5.048 210 3HE MET 25 3HE MET 25 -4.471 2.136 -6.417 211 H PHE 26 H PHE 26 -7.028 0.784 0.291 212 HA PHE 26 HA PHE 26 -7.747 -2.120 0.212 213 1HB PHE 26 1HB PHE 26 -8.888 -1.748 2.363 214 2HB PHE 26 2HB PHE 26 -7.165 -1.431 2.488 215 HD1 PHE 26 HD1 PHE 26 -6.303 0.910 2.665 216 HD2 PHE 26 HD2 PHE 26 -10.526 0.039 2.694 217 HE1 PHE 26 HE1 PHE 26 -6.795 3.240 3.331 218 HE2 PHE 26 HE2 PHE 26 -10.998 2.352 3.432 219 HZ PHE 26 HZ PHE 26 -9.117 3.946 3.816 220 H ILE 27 H ILE 27 -10.274 -2.172 0.628 221 HA ILE 27 HA ILE 27 -11.584 -0.161 -1.156 222 HB ILE 27 HB ILE 27 -12.281 -3.089 -0.725 223 1HG1 ILE 27 2HG1 ILE 27 -11.244 -1.612 -3.191 224 2HG1 ILE 27 1HG1 ILE 27 -10.254 -2.652 -2.160 225 1HG2 ILE 27 1HG2 ILE 27 -14.274 -1.592 -1.081 226 2HG2 ILE 27 3HG2 ILE 27 -13.514 -0.979 -2.557 227 3HG2 ILE 27 2HG2 ILE 27 -14.032 -2.672 -2.439 228 1HD1 ILE 27 3HD1 ILE 27 -11.774 -4.570 -2.677 229 2HD1 ILE 27 1HD1 ILE 27 -12.597 -3.538 -3.876 230 3HD1 ILE 27 2HD1 ILE 27 -10.885 -3.930 -4.073 231 NH1 ARG 28 NH1 ARG 28 -13.189 4.801 -1.484 232 NH2 ARG 28 NH2 ARG 28 -13.072 6.993 -0.749 233 H ARG 28 H ARG 28 -13.395 0.817 -0.320 234 HA ARG 28 HA ARG 28 -13.573 1.163 2.442 235 1HB ARG 28 2HB ARG 28 -15.554 1.579 0.178 236 2HB ARG 28 1HB ARG 28 -15.960 1.993 1.848 237 1HG ARG 28 2HG ARG 28 -14.118 3.540 2.041 238 2HG ARG 28 1HG ARG 28 -13.466 3.042 0.476 239 1HD ARG 28 2HD ARG 28 -15.596 3.871 -0.610 240 2HD ARG 28 1HD ARG 28 -16.163 4.396 0.978 241 HE ARG 28 HE ARG 28 -14.880 6.273 0.830 242 1HH1 ARG 28 2HH1 ARG 28 -13.531 3.855 -1.366 243 2HH1 ARG 28 1HH1 ARG 28 -12.435 4.960 -2.143 244 1HH2 ARG 28 1HH2 ARG 28 -13.398 7.728 -0.139 245 2HH2 ARG 28 2HH2 ARG 28 -12.321 7.192 -1.398 246 H THR 29 H THR 29 -15.526 -1.089 0.488 247 HA THR 29 HA THR 29 -17.176 -1.995 2.669 248 HB THR 29 HB THR 29 -17.490 -3.973 1.063 249 HG1 THR 29 HG1 THR 29 -16.386 -3.941 -0.813 250 1HG2 THR 29 3HG2 THR 29 -18.995 -1.998 1.009 251 2HG2 THR 29 1HG2 THR 29 -17.883 -1.172 -0.104 252 3HG2 THR 29 2HG2 THR 29 -18.723 -2.648 -0.619 253 H HIS 30 H HIS 30 -14.516 -3.535 0.933 254 HA HIS 30 HA HIS 30 -14.030 -5.488 3.076 255 1HB HIS 30 1HB HIS 30 -12.385 -5.086 0.558 256 2HB HIS 30 2HB HIS 30 -12.608 -6.565 1.501 257 HD1 HIS 30 HD1 HIS 30 -15.474 -7.144 1.613 258 HD2 HIS 30 HD2 HIS 30 -13.956 -4.992 -1.644 259 HE1 HIS 30 HE1 HIS 30 -17.292 -7.066 -0.157 260 NH1 ARG 31 NH2 ARG 31 -8.666 1.490 6.619 261 NH2 ARG 31 NH1 ARG 31 -7.898 -0.570 5.840 262 H ARG 31 H ARG 31 -13.700 -3.122 4.279 263 HA ARG 31 HA ARG 31 -11.307 -1.827 4.128 264 1HB ARG 31 2HB ARG 31 -13.484 -2.211 6.093 265 2HB ARG 31 1HB ARG 31 -11.959 -1.933 6.918 266 1HG ARG 31 2HG ARG 31 -12.642 -0.145 4.578 267 2HG ARG 31 1HG ARG 31 -13.545 0.014 6.069 268 1HD ARG 31 2HD ARG 31 -11.421 1.491 5.854 269 2HD ARG 31 1HD ARG 31 -11.533 0.528 7.341 270 HE ARG 31 HE ARG 31 -10.189 -1.115 5.575 271 1HH1 ARG 31 1HH2 ARG 31 -9.442 2.097 6.827 272 2HH1 ARG 31 2HH2 ARG 31 -7.715 1.827 6.735 273 1HH2 ARG 31 2HH1 ARG 31 -8.133 -1.504 5.512 274 2HH2 ARG 31 1HH1 ARG 31 -6.928 -0.281 5.891 275 H GLU 32 H GLU 32 -11.908 -4.729 6.069 276 HA GLU 32 HA GLU 32 -9.193 -4.810 7.119 277 1HB GLU 32 1HB GLU 32 -11.484 -6.831 7.205 278 2HB GLU 32 2HB GLU 32 -9.995 -6.884 8.154 279 1HG GLU 32 1HG GLU 32 -10.554 -4.658 9.140 280 2HG GLU 32 2HG GLU 32 -12.112 -4.689 8.301 281 OH TYR 33 OH TYR 33 -5.939 -10.892 -0.239 282 H TYR 33 H TYR 33 -9.025 -4.685 4.347 283 HA TYR 33 HA TYR 33 -7.438 -7.013 3.807 284 1HB TYR 33 1HB TYR 33 -9.904 -7.680 3.190 285 2HB TYR 33 2HB TYR 33 -9.731 -6.521 1.869 286 HD1 TYR 33 HD1 TYR 33 -8.201 -9.547 3.451 287 HD2 TYR 33 HD2 TYR 33 -8.616 -7.231 -0.163 288 HE1 TYR 33 HE1 TYR 33 -6.788 -11.180 2.244 289 HE2 TYR 33 HE2 TYR 33 -7.286 -8.920 -1.389 290 HH TYR 33 HH TYR 33 -5.360 -11.285 0.428 291 H ILE 34 H ILE 34 -5.936 -6.528 2.092 292 HA ILE 34 HA ILE 34 -6.003 -3.676 1.187 293 HB ILE 34 HB ILE 34 -3.592 -5.488 1.446 294 1HG1 ILE 34 1HG1 ILE 34 -4.396 -5.152 3.720 295 2HG1 ILE 34 2HG1 ILE 34 -2.953 -4.192 3.427 296 1HG2 ILE 34 1HG2 ILE 34 -3.914 -2.507 0.971 297 2HG2 ILE 34 3HG2 ILE 34 -2.387 -3.373 1.231 298 3HG2 ILE 34 2HG2 ILE 34 -3.372 -3.746 -0.179 299 1HD1 ILE 34 2HD1 ILE 34 -4.375 -2.145 3.158 300 2HD1 ILE 34 3HD1 ILE 34 -5.811 -3.134 3.506 301 3HD1 ILE 34 1HD1 ILE 34 -4.562 -2.922 4.735 302 H SER 35 H SER 35 -6.394 -3.439 -0.920 303 HA SER 35 HA SER 35 -6.507 -5.746 -2.725 304 1HB SER 35 1HB SER 35 -7.095 -3.633 -4.271 305 2HB SER 35 2HB SER 35 -8.277 -4.388 -3.190 306 HG SER 35 HG SER 35 -6.672 -2.196 -2.361 307 H GLU 36 H GLU 36 -4.410 -2.856 -2.157 308 HA GLU 36 HA GLU 36 -2.323 -4.082 -3.806 309 1HB GLU 36 1HB GLU 36 -3.758 -3.003 -5.510 310 2HB GLU 36 2HB GLU 36 -3.670 -1.462 -4.652 311 1HG GLU 36 2HG GLU 36 -1.286 -1.260 -5.182 312 2HG GLU 36 1HG GLU 36 -1.267 -2.910 -5.850 313 NH1 ARG 37 NH2 ARG 37 1.038 -5.382 3.256 314 NH2 ARG 37 NH1 ARG 37 -0.380 -4.163 4.619 315 H ARG 37 H ARG 37 -0.309 -2.544 -3.723 316 HA ARG 37 HA ARG 37 -0.327 -0.627 -1.513 317 1HB ARG 37 1HB ARG 37 1.108 -3.290 -1.448 318 2HB ARG 37 2HB ARG 37 1.990 -1.847 -0.918 319 1HG ARG 37 1HG ARG 37 0.670 -1.374 0.843 320 2HG ARG 37 2HG ARG 37 -0.700 -2.266 0.199 321 1HD ARG 37 1HD ARG 37 0.629 -4.400 0.638 322 2HD ARG 37 2HD ARG 37 1.772 -3.390 1.527 323 HE ARG 37 HE ARG 37 -0.778 -2.823 2.540 324 1HH1 ARG 37 1HH2 ARG 37 1.461 -5.533 2.357 325 2HH1 ARG 37 2HH2 ARG 37 1.419 -5.872 4.066 326 1HH2 ARG 37 1HH1 ARG 37 -1.047 -3.425 4.759 327 2HH2 ARG 37 2HH1 ARG 37 0.018 -4.642 5.433 328 H GLY 38 H GLY 38 1.583 0.742 -1.592 329 1HA GLY 38 1HA GLY 38 3.444 0.396 -3.778 330 2HA GLY 38 2HA GLY 38 2.193 1.540 -4.239 331 H CYS 39 H CYS 39 4.002 2.934 -4.469 332 HA CYS 39 HA CYS 39 5.590 3.803 -2.162 333 1HB CYS 39 2HB CYS 39 6.741 3.215 -4.172 334 2HB CYS 39 1HB CYS 39 5.685 4.228 -5.166 335 H GLY 40 H GLY 40 5.832 5.868 -1.472 336 1HA GLY 40 2HA GLY 40 4.918 7.653 -0.549 337 2HA GLY 40 1HA GLY 40 5.459 8.326 -2.023 338 H CYS 41 H CYS 41 2.981 7.451 0.042 339 HA CYS 41 HA CYS 41 0.583 7.346 -0.270 340 1HB CYS 41 1HB CYS 41 1.738 8.457 1.598 341 2HB CYS 41 2HB CYS 41 1.768 9.961 0.691 342 HA PRO 42 HA PRO 42 -0.948 10.118 -3.571 343 1HB PRO 42 1HB PRO 42 -1.614 8.399 -5.524 344 2HB PRO 42 2HB PRO 42 0.098 8.773 -5.204 345 1HG PRO 42 1HG PRO 42 -1.512 6.366 -4.279 346 2HG PRO 42 2HG PRO 42 0.128 6.384 -4.986 347 1HD PRO 42 2HD PRO 42 -0.505 6.375 -2.220 348 2HD PRO 42 1HD PRO 42 1.072 6.866 -2.927 349 H THR 43 H THR 43 -3.214 9.944 -4.628 350 HA THR 43 HA THR 43 -5.194 8.973 -2.669 351 HB THR 43 HB THR 43 -6.652 10.207 -4.576 352 HG1 THR 43 HG1 THR 43 -4.959 10.535 -6.021 353 1HG2 THR 43 1HG2 THR 43 -4.839 11.614 -2.591 354 2HG2 THR 43 2HG2 THR 43 -6.289 12.307 -3.367 355 3HG2 THR 43 3HG2 THR 43 -6.450 10.927 -2.263 356 H ALA 44 H ALA 44 -7.273 8.152 -3.759 357 HA ALA 44 HA ALA 44 -6.937 6.485 -6.125 358 1HB ALA 44 1HB ALA 44 -7.404 5.235 -3.389 359 2HB ALA 44 2HB ALA 44 -7.653 4.395 -4.935 360 3HB ALA 44 3HB ALA 44 -6.032 4.946 -4.472 361 H MET 45 H MET 45 -9.050 5.675 -6.839 362 HA MET 45 HA MET 45 -11.179 7.581 -6.121 363 1HB MET 45 1HB MET 45 -10.713 5.689 -8.465 364 2HB MET 45 2HB MET 45 -12.134 6.719 -8.260 365 1HG MET 45 2HG MET 45 -10.726 8.739 -8.285 366 2HG MET 45 1HG MET 45 -9.273 7.747 -8.420 367 1HE MET 45 2HE MET 45 -12.524 8.957 -10.138 368 2HE MET 45 3HE MET 45 -12.350 8.342 -11.798 369 3HE MET 45 1HE MET 45 -12.710 7.215 -10.474 370 CH2 TRP 46 CH2 TRP 46 -20.473 3.825 -5.219 371 H TRP 46 H TRP 46 -13.330 6.902 -5.906 372 HA TRP 46 HA TRP 46 -13.848 4.896 -4.076 373 1HB TRP 46 1HB TRP 46 -15.340 6.910 -4.876 374 2HB TRP 46 2HB TRP 46 -15.759 5.898 -6.211 375 HD1 TRP 46 HD1 TRP 46 -15.865 5.533 -2.330 376 HE1 TRP 46 HE1 TRP 46 -18.145 4.464 -1.696 377 HE3 TRP 46 HE3 TRP 46 -17.842 5.224 -6.932 378 HZ2 TRP 46 HZ2 TRP 46 -20.514 3.569 -3.071 379 HZ3 TRP 46 HZ3 TRP 46 -20.148 4.252 -7.312 380 HH2 TRP 46 HH2 TRP 46 -21.464 3.423 -5.372 381 HA PRO 47 HA PRO 47 -15.098 3.177 -3.381 382 1HB PRO 47 1HB PRO 47 -15.316 0.582 -2.873 383 2HB PRO 47 2HB PRO 47 -16.458 1.380 -3.986 384 1HG PRO 47 1HG PRO 47 -13.954 -0.166 -4.769 385 2HG PRO 47 2HG PRO 47 -15.623 -0.427 -5.359 386 1HD PRO 47 1HD PRO 47 -13.807 1.152 -6.699 387 2HD PRO 47 2HD PRO 47 -15.549 1.538 -6.673 388 OH TYR 48 OH TYR 48 -10.555 -2.723 -7.398 389 H TYR 48 H TYR 48 -12.093 2.802 -4.753 390 HA TYR 48 HA TYR 48 -10.789 1.292 -2.598 391 1HB TYR 48 1HB TYR 48 -9.665 2.830 -4.976 392 2HB TYR 48 2HB TYR 48 -8.725 1.949 -3.784 393 HD1 TYR 48 HD1 TYR 48 -11.144 1.710 -6.601 394 HD2 TYR 48 HD2 TYR 48 -8.690 -0.543 -3.864 395 HE1 TYR 48 HE1 TYR 48 -11.543 -0.348 -7.930 396 HE2 TYR 48 HE2 TYR 48 -9.049 -2.578 -5.222 397 HH TYR 48 HH TYR 48 -10.104 -3.497 -7.056 398 H GLN 49 H GLN 49 -9.169 2.237 -1.232 399 HA GLN 49 HA GLN 49 -8.559 5.003 -1.574 400 1HB GLN 49 2HB GLN 49 -10.769 4.884 -0.058 401 2HB GLN 49 1HB GLN 49 -9.592 4.397 1.169 402 1HG GLN 49 1HG GLN 49 -10.092 6.815 1.230 403 2HG GLN 49 2HG GLN 49 -8.384 6.471 0.971 404 1HE2 GLN 49 2HE2 GLN 49 -9.938 7.542 -2.641 405 2HE2 GLN 49 1HE2 GLN 49 -10.469 6.067 -1.869 406 H THR 50 H THR 50 -6.755 5.560 -0.695 407 HA THR 50 HA THR 50 -4.907 3.483 0.228 408 HB THR 50 HB THR 50 -3.354 5.585 -0.227 409 HG1 THR 50 HG1 THR 50 -4.270 7.074 -1.543 410 1HG2 THR 50 1HG2 THR 50 -3.482 3.509 -1.597 411 2HG2 THR 50 2HG2 THR 50 -4.834 4.208 -2.505 412 3HG2 THR 50 3HG2 THR 50 -3.224 4.963 -2.584 413 H GLU 51 H GLU 51 -4.055 3.364 2.195 414 HA GLU 51 HA GLU 51 -4.208 5.758 3.981 415 1HB GLU 51 1HB GLU 51 -4.190 4.333 5.945 416 2HB GLU 51 2HB GLU 51 -5.661 4.177 4.990 417 1HG GLU 51 2HG GLU 51 -4.548 2.169 3.890 418 2HG GLU 51 1HG GLU 51 -3.316 2.264 5.167 419 H CYS 52 H CYS 52 -2.192 6.313 4.867 420 HA CYS 52 HA CYS 52 0.067 5.141 3.353 421 1HB CYS 52 2HB CYS 52 -0.499 7.917 4.402 422 2HB CYS 52 1HB CYS 52 0.912 7.413 3.470 423 H CYS 53 H CYS 53 2.216 5.393 4.211 424 HA CYS 53 HA CYS 53 2.612 5.822 7.061 425 1HB CYS 53 2HB CYS 53 3.567 3.634 7.527 426 2HB CYS 53 1HB CYS 53 1.868 3.473 7.064 427 H LYS 54 H LYS 54 5.083 5.431 7.523 428 HA LYS 54 HA LYS 54 6.765 5.956 5.168 429 1HB LYS 54 1HB LYS 54 8.013 7.433 6.820 430 2HB LYS 54 2HB LYS 54 6.565 8.131 6.082 431 1HG LYS 54 2HG LYS 54 5.284 7.709 8.130 432 2HG LYS 54 1HG LYS 54 6.678 6.885 8.869 433 1HD LYS 54 1HD LYS 54 7.996 8.993 8.684 434 2HD LYS 54 2HD LYS 54 6.580 9.819 8.011 435 1HE LYS 54 1HE LYS 54 6.755 8.528 10.781 436 2HE LYS 54 2HE LYS 54 6.887 10.260 10.439 437 1HZ LYS 54 1HZ LYS 54 4.659 10.198 9.569 438 2HZ LYS 54 2HZ LYS 54 4.525 8.594 9.930 439 3HZ LYS 54 3HZ LYS 54 4.703 9.697 11.138 440 H GLY 55 H GLY 55 8.702 4.914 5.282 441 1HA GLY 55 2HA GLY 55 10.470 3.999 6.804 442 2HA GLY 55 1HA GLY 55 9.204 3.102 7.643 443 H ASP 56 H ASP 56 11.439 1.851 6.476 444 HA ASP 56 HA ASP 56 11.068 0.914 3.809 445 1HB ASP 56 1HB ASP 56 12.678 -0.823 4.517 446 2HB ASP 56 2HB ASP 56 13.237 0.820 4.850 447 NH1 ARG 57 NH1 ARG 57 9.776 -8.031 4.501 448 NH2 ARG 57 NH2 ARG 57 7.486 -7.997 4.816 449 H ARG 57 H ARG 57 9.507 -0.291 3.111 450 HA ARG 57 HA ARG 57 7.610 -1.587 3.031 451 1HB ARG 57 1HB ARG 57 7.905 -3.857 3.667 452 2HB ARG 57 2HB ARG 57 9.347 -3.260 2.878 453 1HG ARG 57 1HG ARG 57 10.574 -3.178 4.956 454 2HG ARG 57 2HG ARG 57 9.120 -3.535 5.901 455 1HD ARG 57 1HD ARG 57 10.389 -5.372 3.825 456 2HD ARG 57 2HD ARG 57 10.618 -5.501 5.581 457 HE ARG 57 HE ARG 57 7.842 -5.525 5.110 458 1HH1 ARG 57 1HH1 ARG 57 10.653 -7.538 4.439 459 2HH1 ARG 57 2HH1 ARG 57 9.759 -9.031 4.369 460 1HH2 ARG 57 2HH2 ARG 57 6.612 -7.495 4.938 461 2HH2 ARG 57 1HH2 ARG 57 7.448 -8.999 4.706 462 H CYS 58 H CYS 58 7.505 0.493 5.025 463 HA CYS 58 HA CYS 58 6.510 -0.338 7.490 464 1HB CYS 58 2HB CYS 58 5.429 1.830 7.585 465 2HB CYS 58 1HB CYS 58 7.067 1.955 6.956 466 H ASN 59 H ASN 59 4.952 -0.434 4.346 467 HA ASN 59 HA ASN 59 2.238 -0.862 5.426 468 1HB ASN 59 2HB ASN 59 1.731 -1.273 2.990 469 2HB ASN 59 1HB ASN 59 2.245 0.362 3.403 470 1HD2 ASN 59 1HD2 ASN 59 3.969 -0.095 0.322 471 2HD2 ASN 59 2HD2 ASN 59 2.394 0.240 0.868 472 H LYS 60 H LYS 60 3.385 -2.476 6.780 473 HA LYS 60 HA LYS 60 4.375 -4.965 5.880 474 1HB LYS 60 2HB LYS 60 3.015 -4.129 8.463 475 2HB LYS 60 1HB LYS 60 3.808 -5.689 8.244 476 1HG LYS 60 2HG LYS 60 5.262 -3.024 7.906 477 2HG LYS 60 1HG LYS 60 5.156 -3.914 9.430 478 1HD LYS 60 2HD LYS 60 6.211 -5.900 8.322 479 2HD LYS 60 1HD LYS 60 6.417 -4.934 6.846 480 1HE LYS 60 1HE LYS 60 7.824 -3.319 8.050 481 2HE LYS 60 2HE LYS 60 7.586 -4.203 9.570 482 1HZ LYS 60 2HZ LYS 60 8.880 -5.285 7.171 483 2HZ LYS 60 3HZ LYS 60 9.654 -4.748 8.522 484 3HZ LYS 60 1HZ LYS 60 8.680 -6.077 8.601 Start of MODEL 12 Raw file had 484 H/Q atoms Start of MODEL 12 1 NH1 ARG 1 NH1 ARG 1 14.135 5.398 5.456 2 NH2 ARG 1 NH2 ARG 1 13.356 7.558 5.809 3 1H ARG 1 1H ARG 1 12.801 4.191 -1.844 4 2H ARG 1 2H ARG 1 11.753 5.076 -0.982 5 3H ARG 1 3H ARG 1 13.348 5.414 -0.859 6 HA ARG 1 HA ARG 1 13.797 3.503 0.411 7 1HB ARG 1 2HB ARG 1 10.973 4.519 1.015 8 2HB ARG 1 1HB ARG 1 11.705 3.248 1.960 9 1HG ARG 1 1HG ARG 1 13.711 4.812 2.362 10 2HG ARG 1 2HG ARG 1 12.643 6.105 1.776 11 1HD ARG 1 2HD ARG 1 10.861 4.965 3.386 12 2HD ARG 1 1HD ARG 1 12.255 4.091 3.998 13 HE ARG 1 HE ARG 1 11.587 6.979 4.264 14 1HH1 ARG 1 1HH1 ARG 1 14.066 4.490 5.002 15 2HH1 ARG 1 2HH1 ARG 1 14.901 5.553 6.093 16 1HH2 ARG 1 1HH2 ARG 1 12.681 8.276 5.557 17 2HH2 ARG 1 2HH2 ARG 1 14.097 7.764 6.461 18 H ILE 2 H ILE 2 12.486 1.470 1.482 19 HA ILE 2 HA ILE 2 11.572 -0.127 -0.885 20 HB ILE 2 HB ILE 2 12.247 -0.952 1.966 21 1HG1 ILE 2 2HG1 ILE 2 13.656 -1.221 -0.734 22 2HG1 ILE 2 1HG1 ILE 2 14.243 -0.414 0.733 23 1HG2 ILE 2 2HG2 ILE 2 10.415 -2.388 0.944 24 2HG2 ILE 2 1HG2 ILE 2 11.514 -2.736 -0.404 25 3HG2 ILE 2 3HG2 ILE 2 11.889 -3.253 1.244 26 1HD1 ILE 2 3HD1 ILE 2 14.168 -2.679 1.874 27 2HD1 ILE 2 2HD1 ILE 2 13.868 -3.397 0.267 28 3HD1 ILE 2 1HD1 ILE 2 15.372 -2.515 0.569 29 H CYS 3 H CYS 3 9.472 -0.964 -0.989 30 HA CYS 3 HA CYS 3 7.599 -0.377 1.236 31 1HB CYS 3 1HB CYS 3 6.990 0.289 -1.670 32 2HB CYS 3 2HB CYS 3 5.894 0.404 -0.317 33 OH TYR 4 OH TYR 4 6.018 -7.095 5.364 34 H TYR 4 H TYR 4 5.679 -1.691 1.034 35 HA TYR 4 HA TYR 4 6.154 -4.295 -0.210 36 1HB TYR 4 1HB TYR 4 3.884 -3.040 1.353 37 2HB TYR 4 2HB TYR 4 3.627 -4.498 0.418 38 HD1 TYR 4 HD1 TYR 4 6.054 -3.191 3.020 39 HD2 TYR 4 HD2 TYR 4 3.793 -6.524 1.463 40 HE1 TYR 4 HE1 TYR 4 6.754 -4.578 4.943 41 HE2 TYR 4 HE2 TYR 4 4.436 -7.854 3.423 42 HH TYR 4 HH TYR 4 6.594 -6.634 5.979 43 H SER 5 H SER 5 4.985 -5.032 -2.046 44 HA SER 5 HA SER 5 3.245 -3.071 -3.458 45 1HB SER 5 1HB SER 5 5.664 -4.333 -4.783 46 2HB SER 5 2HB SER 5 4.483 -3.228 -5.513 47 HG SER 5 HG SER 5 5.253 -1.963 -3.393 48 H HIS 6 H HIS 6 2.358 -5.220 -2.093 49 HA HIS 6 HA HIS 6 1.960 -7.463 -3.929 50 1HB HIS 6 1HB HIS 6 1.384 -8.498 -2.045 51 2HB HIS 6 2HB HIS 6 1.570 -7.014 -1.130 52 HD1 HIS 6 HD1 HIS 6 -0.769 -5.390 -1.272 53 HD2 HIS 6 HD2 HIS 6 -1.136 -9.543 -1.758 54 HE1 HIS 6 HE1 HIS 6 -3.186 -6.017 -0.801 55 H LYS 7 H LYS 7 -0.021 -7.837 -5.057 56 HA LYS 7 HA LYS 7 -2.058 -5.677 -5.240 57 1HB LYS 7 1HB LYS 7 -1.740 -6.234 -7.896 58 2HB LYS 7 2HB LYS 7 -1.105 -4.833 -7.057 59 1HG LYS 7 1HG LYS 7 0.624 -5.668 -8.438 60 2HG LYS 7 2HG LYS 7 1.088 -5.915 -6.767 61 1HD LYS 7 1HD LYS 7 0.094 -8.356 -7.135 62 2HD LYS 7 2HD LYS 7 0.133 -7.936 -8.842 63 1HE LYS 7 2HE LYS 7 2.158 -9.133 -8.297 64 2HE LYS 7 1HE LYS 7 2.621 -7.442 -8.563 65 1HZ LYS 7 2HZ LYS 7 2.127 -8.682 -5.937 66 2HZ LYS 7 3HZ LYS 7 3.619 -8.441 -6.603 67 3HZ LYS 7 1HZ LYS 7 2.687 -7.149 -6.195 68 H ALA 8 H ALA 8 -3.301 -7.152 -4.076 69 HA ALA 8 HA ALA 8 -4.404 -9.042 -3.536 70 1HB ALA 8 3HB ALA 8 -5.807 -8.070 -5.370 71 2HB ALA 8 1HB ALA 8 -4.946 -9.083 -6.552 72 3HB ALA 8 2HB ALA 8 -5.945 -9.836 -5.293 73 H SER 9 H SER 9 -1.624 -9.361 -4.094 74 HA SER 9 HA SER 9 -1.359 -12.166 -5.079 75 1HB SER 9 2HB SER 9 1.030 -11.471 -5.369 76 2HB SER 9 1HB SER 9 -0.108 -10.552 -6.376 77 HG SER 9 HG SER 9 0.971 -9.784 -3.865 78 H LEU 10 H LEU 10 -2.264 -12.693 -2.976 79 HA LEU 10 HA LEU 10 -1.790 -12.398 -0.491 80 1HB LEU 10 1HB LEU 10 -1.520 -15.092 -1.847 81 2HB LEU 10 2HB LEU 10 -1.707 -14.891 -0.101 82 HG LEU 10 HG LEU 10 -3.704 -13.968 -2.223 83 1HD1 LEU 10 2HD1 LEU 10 -3.499 -16.422 -2.083 84 2HD1 LEU 10 3HD1 LEU 10 -3.759 -16.350 -0.327 85 3HD1 LEU 10 1HD1 LEU 10 -5.054 -15.867 -1.443 86 1HD2 LEU 10 3HD2 LEU 10 -3.870 -14.017 0.827 87 2HD2 LEU 10 1HD2 LEU 10 -3.961 -12.580 -0.219 88 3HD2 LEU 10 2HD2 LEU 10 -5.255 -13.776 -0.255 89 HA PRO 11 HA PRO 11 2.500 -14.195 0.379 90 1HB PRO 11 1HB PRO 11 4.304 -14.453 -1.662 91 2HB PRO 11 2HB PRO 11 3.258 -15.782 -1.080 92 1HG PRO 11 1HG PRO 11 2.740 -13.949 -3.439 93 2HG PRO 11 2HG PRO 11 2.596 -15.734 -3.390 94 1HD PRO 11 2HD PRO 11 0.399 -14.187 -3.095 95 2HD PRO 11 1HD PRO 11 0.613 -15.583 -2.003 96 NH1 ARG 12 NH2 ARG 12 3.325 -7.705 5.974 97 NH2 ARG 12 NH1 ARG 12 1.129 -8.187 6.272 98 H ARG 12 H ARG 12 3.524 -12.591 1.280 99 HA ARG 12 HA ARG 12 3.319 -9.898 0.509 100 1HB ARG 12 2HB ARG 12 5.131 -11.366 2.469 101 2HB ARG 12 1HB ARG 12 5.173 -9.611 2.259 102 1HG ARG 12 1HG ARG 12 2.794 -9.423 2.809 103 2HG ARG 12 2HG ARG 12 2.622 -11.175 2.915 104 1HD ARG 12 1HD ARG 12 3.912 -11.304 4.911 105 2HD ARG 12 2HD ARG 12 4.536 -9.671 4.744 106 HE ARG 12 HE ARG 12 1.709 -10.447 5.373 107 1HH1 ARG 12 2HH2 ARG 12 4.287 -7.899 5.724 108 2HH1 ARG 12 1HH2 ARG 12 3.063 -6.784 6.331 109 1HH2 ARG 12 1HH1 ARG 12 0.316 -8.779 6.217 110 2HH2 ARG 12 2HH1 ARG 12 1.054 -7.213 6.583 111 H ALA 13 H ALA 13 4.258 -8.810 -1.048 112 HA ALA 13 HA ALA 13 6.960 -9.565 -2.083 113 1HB ALA 13 1HB ALA 13 4.600 -8.253 -3.503 114 2HB ALA 13 2HB ALA 13 6.196 -8.585 -4.211 115 3HB ALA 13 3HB ALA 13 5.147 -9.931 -3.716 116 H THR 14 H THR 14 8.505 -7.982 -1.864 117 HA THR 14 HA THR 14 7.673 -5.191 -1.289 118 HB THR 14 HB THR 14 9.374 -5.059 0.426 119 HG1 THR 14 HG1 THR 14 10.409 -7.130 -0.753 120 1HG2 THR 14 1HG2 THR 14 7.110 -5.946 1.095 121 2HG2 THR 14 2HG2 THR 14 7.758 -7.592 0.997 122 3HG2 THR 14 3HG2 THR 14 8.408 -6.452 2.182 123 H LYS 15 H LYS 15 9.160 -3.572 -2.000 124 HA LYS 15 HA LYS 15 11.566 -4.391 -3.394 125 1HB LYS 15 2HB LYS 15 10.894 -3.694 -5.642 126 2HB LYS 15 1HB LYS 15 9.942 -5.078 -5.126 127 1HG LYS 15 2HG LYS 15 7.978 -3.813 -4.863 128 2HG LYS 15 1HG LYS 15 8.838 -2.277 -4.715 129 1HD LYS 15 2HD LYS 15 9.526 -2.331 -7.050 130 2HD LYS 15 1HD LYS 15 8.795 -3.930 -7.276 131 1HE LYS 15 2HE LYS 15 7.418 -2.049 -8.181 132 2HE LYS 15 1HE LYS 15 6.561 -3.022 -6.976 133 1HZ LYS 15 3HZ LYS 15 7.921 -0.493 -6.358 134 2HZ LYS 15 2HZ LYS 15 6.311 -0.622 -6.702 135 3HZ LYS 15 1HZ LYS 15 6.924 -1.373 -5.374 136 H THR 16 H THR 16 12.428 -2.458 -4.712 137 HA THR 16 HA THR 16 12.560 -0.219 -2.935 138 HB THR 16 HB THR 16 13.706 -0.442 -5.741 139 HG1 THR 16 HG1 THR 16 14.629 -1.670 -3.351 140 1HG2 THR 16 1HG2 THR 16 14.764 0.786 -3.140 141 2HG2 THR 16 3HG2 THR 16 15.624 0.740 -4.691 142 3HG2 THR 16 2HG2 THR 16 14.137 1.688 -4.539 143 H CYS 17 H CYS 17 11.904 1.842 -3.266 144 HA CYS 17 HA CYS 17 10.264 2.678 -5.582 145 1HB CYS 17 1HB CYS 17 9.655 2.975 -2.599 146 2HB CYS 17 2HB CYS 17 8.837 3.871 -3.882 147 H VAL 18 H VAL 18 10.390 5.082 -5.758 148 HA VAL 18 HA VAL 18 12.980 6.079 -4.923 149 HB VAL 18 HB VAL 18 11.891 6.643 -7.023 150 1HG1 VAL 18 1HG1 VAL 18 9.523 6.985 -6.286 151 2HG1 VAL 18 3HG1 VAL 18 10.023 8.576 -5.648 152 3HG1 VAL 18 2HG1 VAL 18 10.185 8.217 -7.364 153 1HG2 VAL 18 2HG2 VAL 18 13.691 8.055 -6.096 154 2HG2 VAL 18 1HG2 VAL 18 12.554 9.010 -7.063 155 3HG2 VAL 18 3HG2 VAL 18 12.482 9.078 -5.291 156 H GLU 19 H GLU 19 9.696 7.100 -4.211 157 HA GLU 19 HA GLU 19 10.193 9.016 -2.310 158 1HB GLU 19 1HB GLU 19 7.814 7.258 -2.952 159 2HB GLU 19 2HB GLU 19 7.728 8.109 -1.446 160 1HG GLU 19 1HG GLU 19 8.329 9.526 -4.053 161 2HG GLU 19 2HG GLU 19 6.731 9.404 -3.313 162 H ASN 20 H ASN 20 9.572 9.225 -0.185 163 HA ASN 20 HA ASN 20 10.878 7.361 1.681 164 1HB ASN 20 2HB ASN 20 11.312 9.727 1.925 165 2HB ASN 20 1HB ASN 20 9.587 10.109 1.909 166 1HD2 ASN 20 2HD2 ASN 20 9.147 9.556 5.370 167 2HD2 ASN 20 1HD2 ASN 20 8.378 9.960 3.849 168 H THR 21 H THR 21 7.663 8.173 0.498 169 HA THR 21 HA THR 21 6.336 6.867 2.760 170 HB THR 21 HB THR 21 4.334 7.954 1.497 171 HG1 THR 21 HG1 THR 21 5.109 9.785 0.245 172 1HG2 THR 21 2HG2 THR 21 6.481 9.731 2.738 173 2HG2 THR 21 3HG2 THR 21 4.767 10.148 2.538 174 3HG2 THR 21 1HG2 THR 21 5.230 8.828 3.623 175 H CYS 22 H CYS 22 4.688 5.393 2.410 176 HA CYS 22 HA CYS 22 4.556 4.002 -0.197 177 1HB CYS 22 1HB CYS 22 4.518 2.545 2.453 178 2HB CYS 22 2HB CYS 22 4.644 1.890 0.832 179 OH TYR 23 OH TYR 23 -0.274 1.626 -5.428 180 H TYR 23 H TYR 23 2.523 2.537 -0.040 181 HA TYR 23 HA TYR 23 0.500 3.559 1.897 182 1HB TYR 23 1HB TYR 23 -1.174 3.810 0.188 183 2HB TYR 23 2HB TYR 23 0.225 4.779 -0.178 184 HD1 TYR 23 HD2 TYR 23 -1.751 1.782 -1.131 185 HD2 TYR 23 HD1 TYR 23 1.615 4.225 -2.215 186 HE1 TYR 23 HE2 TYR 23 -1.814 0.841 -3.414 187 HE2 TYR 23 HE1 TYR 23 1.418 3.425 -4.563 188 HH TYR 23 HH TYR 23 -0.981 0.990 -5.598 189 H LYS 24 H LYS 24 -1.362 2.317 1.895 190 HA LYS 24 HA LYS 24 -1.230 -0.360 0.656 191 1HB LYS 24 1HB LYS 24 -2.127 -1.491 2.626 192 2HB LYS 24 2HB LYS 24 -0.521 -0.797 2.918 193 1HG LYS 24 1HG LYS 24 -1.508 1.069 4.156 194 2HG LYS 24 2HG LYS 24 -3.131 0.421 3.812 195 1HD LYS 24 1HD LYS 24 -2.518 -0.188 6.052 196 2HD LYS 24 2HD LYS 24 -2.644 -1.632 5.040 197 1HE LYS 24 2HE LYS 24 -0.181 -1.786 4.893 198 2HE LYS 24 1HE LYS 24 -0.009 -0.247 5.759 199 1HZ LYS 24 2HZ LYS 24 -1.284 -2.643 6.872 200 2HZ LYS 24 3HZ LYS 24 0.287 -2.249 7.113 201 3HZ LYS 24 1HZ LYS 24 -0.907 -1.256 7.677 202 H MET 25 H MET 25 -2.952 -0.684 -0.468 203 HA MET 25 HA MET 25 -5.212 1.264 -0.364 204 1HB MET 25 2HB MET 25 -3.942 1.237 -2.443 205 2HB MET 25 1HB MET 25 -4.351 -0.472 -2.601 206 1HG MET 25 2HG MET 25 -6.708 0.034 -2.852 207 2HG MET 25 1HG MET 25 -6.460 1.682 -2.283 208 1HE MET 25 2HE MET 25 -6.578 -0.720 -5.186 209 2HE MET 25 1HE MET 25 -5.939 0.205 -6.564 210 3HE MET 25 3HE MET 25 -4.822 -0.456 -5.358 211 H PHE 26 H PHE 26 -7.203 0.591 0.155 212 HA PHE 26 HA PHE 26 -7.850 -2.315 0.230 213 1HB PHE 26 1HB PHE 26 -9.019 -1.838 2.386 214 2HB PHE 26 2HB PHE 26 -7.275 -1.632 2.485 215 HD1 PHE 26 HD1 PHE 26 -6.243 0.635 2.682 216 HD2 PHE 26 HD2 PHE 26 -10.518 0.111 2.601 217 HE1 PHE 26 HE1 PHE 26 -6.565 2.920 3.574 218 HE2 PHE 26 HE2 PHE 26 -10.816 2.294 3.714 219 HZ PHE 26 HZ PHE 26 -8.826 3.701 4.234 220 H ILE 27 H ILE 27 -10.231 -2.651 0.265 221 HA ILE 27 HA ILE 27 -11.565 -0.733 -1.538 222 HB ILE 27 HB ILE 27 -12.450 -3.351 -0.280 223 1HG1 ILE 27 1HG1 ILE 27 -11.889 -2.448 -3.147 224 2HG1 ILE 27 2HG1 ILE 27 -10.860 -3.490 -2.153 225 1HG2 ILE 27 2HG2 ILE 27 -14.393 -1.777 -0.429 226 2HG2 ILE 27 3HG2 ILE 27 -14.037 -1.528 -2.146 227 3HG2 ILE 27 1HG2 ILE 27 -14.560 -3.114 -1.548 228 1HD1 ILE 27 2HD1 ILE 27 -12.760 -5.154 -2.055 229 2HD1 ILE 27 1HD1 ILE 27 -13.604 -4.157 -3.269 230 3HD1 ILE 27 3HD1 ILE 27 -12.048 -4.895 -3.665 231 NH1 ARG 28 NH2 ARG 28 -14.119 7.683 -1.226 232 NH2 ARG 28 NH1 ARG 28 -12.253 6.805 -2.287 233 H ARG 28 H ARG 28 -12.767 0.890 -0.823 234 HA ARG 28 HA ARG 28 -12.382 1.993 1.644 235 1HB ARG 28 1HB ARG 28 -13.294 2.977 -0.537 236 2HB ARG 28 2HB ARG 28 -14.906 2.494 0.007 237 1HG ARG 28 1HG ARG 28 -14.729 3.921 1.979 238 2HG ARG 28 2HG ARG 28 -13.020 4.234 1.673 239 1HD ARG 28 2HD ARG 28 -15.341 5.194 -0.045 240 2HD ARG 28 1HD ARG 28 -14.337 6.155 1.050 241 HE ARG 28 HE ARG 28 -12.693 4.817 -0.917 242 1HH1 ARG 28 1HH2 ARG 28 -14.876 7.569 -0.569 243 2HH1 ARG 28 2HH2 ARG 28 -14.030 8.546 -1.740 244 1HH2 ARG 28 1HH1 ARG 28 -11.621 6.019 -2.442 245 2HH2 ARG 28 2HH1 ARG 28 -12.066 7.670 -2.769 246 H THR 29 H THR 29 -15.206 0.006 0.778 247 HA THR 29 HA THR 29 -16.532 0.327 3.344 248 HB THR 29 HB THR 29 -17.802 -1.714 2.434 249 HG1 THR 29 HG1 THR 29 -17.312 -2.268 0.293 250 1HG2 THR 29 3HG2 THR 29 -18.601 0.609 2.057 251 2HG2 THR 29 1HG2 THR 29 -17.591 0.726 0.600 252 3HG2 THR 29 2HG2 THR 29 -18.941 -0.425 0.657 253 H HIS 30 H HIS 30 -14.863 -2.375 1.745 254 HA HIS 30 HA HIS 30 -14.563 -3.924 4.176 255 1HB HIS 30 2HB HIS 30 -13.321 -4.369 1.445 256 2HB HIS 30 1HB HIS 30 -13.597 -5.562 2.707 257 HD1 HIS 30 HD1 HIS 30 -16.576 -4.866 3.402 258 HD2 HIS 30 HD2 HIS 30 -15.060 -5.272 -0.481 259 HE1 HIS 30 HE1 HIS 30 -18.550 -5.315 1.866 260 NH1 ARG 31 NH2 ARG 31 -15.982 -2.079 7.310 261 NH2 ARG 31 NH1 ARG 31 -16.385 -2.534 9.535 262 H ARG 31 H ARG 31 -13.502 -1.793 5.006 263 HA ARG 31 HA ARG 31 -10.921 -0.979 4.513 264 1HB ARG 31 1HB ARG 31 -10.994 -0.187 6.876 265 2HB ARG 31 2HB ARG 31 -12.449 0.165 5.941 266 1HG ARG 31 2HG ARG 31 -13.283 -2.175 7.036 267 2HG ARG 31 1HG ARG 31 -12.082 -1.749 8.238 268 1HD ARG 31 2HD ARG 31 -13.232 0.391 8.631 269 2HD ARG 31 1HD ARG 31 -14.341 0.097 7.286 270 HE ARG 31 HE ARG 31 -14.479 -0.994 9.966 271 1HH1 ARG 31 1HH2 ARG 31 -15.468 -1.611 6.570 272 2HH1 ARG 31 2HH2 ARG 31 -16.729 -2.699 7.042 273 1HH2 ARG 31 1HH1 ARG 31 -16.151 -2.416 10.510 274 2HH2 ARG 31 2HH1 ARG 31 -17.137 -3.155 9.279 275 H GLU 32 H GLU 32 -11.897 -3.920 6.214 276 HA GLU 32 HA GLU 32 -9.157 -4.434 7.063 277 1HB GLU 32 2HB GLU 32 -10.175 -6.412 8.128 278 2HB GLU 32 1HB GLU 32 -11.048 -4.963 8.608 279 1HG GLU 32 2HG GLU 32 -12.027 -6.659 6.263 280 2HG GLU 32 1HG GLU 32 -12.327 -7.155 7.919 281 OH TYR 33 OH TYR 33 -8.483 -8.106 -2.840 282 H TYR 33 H TYR 33 -10.148 -4.495 4.227 283 HA TYR 33 HA TYR 33 -8.710 -7.018 3.437 284 1HB TYR 33 1HB TYR 33 -10.985 -7.350 2.787 285 2HB TYR 33 2HB TYR 33 -11.108 -5.711 2.144 286 HD1 TYR 33 HD2 TYR 33 -8.859 -8.711 1.649 287 HD2 TYR 33 HD1 TYR 33 -11.021 -5.448 -0.161 288 HE1 TYR 33 HE2 TYR 33 -7.939 -9.321 -0.570 289 HE2 TYR 33 HE1 TYR 33 -10.154 -6.104 -2.380 290 HH TYR 33 HH TYR 33 -8.850 -7.595 -3.563 291 H ILE 34 H ILE 34 -6.697 -6.220 3.117 292 HA ILE 34 HA ILE 34 -6.258 -3.689 1.692 293 HB ILE 34 HB ILE 34 -4.233 -5.839 2.434 294 1HG1 ILE 34 2HG1 ILE 34 -5.214 -5.213 4.523 295 2HG1 ILE 34 1HG1 ILE 34 -3.661 -4.402 4.376 296 1HG2 ILE 34 2HG2 ILE 34 -3.980 -2.875 1.724 297 2HG2 ILE 34 3HG2 ILE 34 -2.658 -3.932 2.261 298 3HG2 ILE 34 1HG2 ILE 34 -3.473 -4.245 0.730 299 1HD1 ILE 34 3HD1 ILE 34 -4.886 -2.283 3.723 300 2HD1 ILE 34 2HD1 ILE 34 -6.415 -3.146 4.029 301 3HD1 ILE 34 1HD1 ILE 34 -5.269 -2.881 5.344 302 H SER 35 H SER 35 -6.312 -3.605 -0.477 303 HA SER 35 HA SER 35 -6.585 -6.078 -2.060 304 1HB SER 35 1HB SER 35 -6.814 -3.220 -3.053 305 2HB SER 35 2HB SER 35 -7.609 -4.688 -3.652 306 HG SER 35 HG SER 35 -8.497 -4.614 -1.302 307 H GLU 36 H GLU 36 -4.463 -3.191 -1.728 308 HA GLU 36 HA GLU 36 -2.364 -4.546 -3.258 309 1HB GLU 36 1HB GLU 36 -3.647 -3.506 -5.058 310 2HB GLU 36 2HB GLU 36 -3.762 -1.999 -4.148 311 1HG GLU 36 1HG GLU 36 -1.333 -1.600 -4.457 312 2HG GLU 36 2HG GLU 36 -1.207 -3.112 -5.375 313 NH1 ARG 37 NH2 ARG 37 1.493 -5.441 3.922 314 NH2 ARG 37 NH1 ARG 37 -0.323 -4.620 5.048 315 H ARG 37 H ARG 37 -0.335 -3.181 -3.167 316 HA ARG 37 HA ARG 37 -0.295 -1.045 -1.130 317 1HB ARG 37 1HB ARG 37 1.234 -3.672 -1.024 318 2HB ARG 37 2HB ARG 37 1.956 -2.172 -0.417 319 1HG ARG 37 1HG ARG 37 0.488 -1.839 1.240 320 2HG ARG 37 2HG ARG 37 -0.760 -2.882 0.550 321 1HD ARG 37 1HD ARG 37 0.675 -4.887 1.048 322 2HD ARG 37 2HD ARG 37 1.822 -3.778 1.837 323 HE ARG 37 HE ARG 37 -0.823 -3.444 2.888 324 1HH1 ARG 37 2HH2 ARG 37 2.115 -5.455 3.131 325 2HH1 ARG 37 1HH2 ARG 37 1.789 -5.822 4.822 326 1HH2 ARG 37 1HH1 ARG 37 -1.167 -4.076 5.106 327 2HH2 ARG 37 2HH1 ARG 37 0.119 -4.982 5.897 328 H GLY 38 H GLY 38 1.676 0.281 -1.341 329 1HA GLY 38 1HA GLY 38 3.507 -0.250 -3.498 330 2HA GLY 38 2HA GLY 38 2.224 0.775 -4.125 331 H CYS 39 H CYS 39 4.205 1.977 -4.596 332 HA CYS 39 HA CYS 39 5.785 3.344 -2.630 333 1HB CYS 39 1HB CYS 39 5.341 3.936 -5.595 334 2HB CYS 39 2HB CYS 39 6.702 4.458 -4.619 335 H GLY 40 H GLY 40 5.840 5.594 -2.170 336 1HA GLY 40 1HA GLY 40 4.842 7.555 -1.575 337 2HA GLY 40 2HA GLY 40 5.032 7.836 -3.260 338 H CYS 41 H CYS 41 3.039 6.923 -1.000 339 HA CYS 41 HA CYS 41 0.583 6.154 -1.706 340 1HB CYS 41 1HB CYS 41 1.295 6.744 0.593 341 2HB CYS 41 2HB CYS 41 1.012 8.444 0.221 342 HA PRO 42 HA PRO 42 -1.196 9.531 -4.157 343 1HB PRO 42 1HB PRO 42 -2.324 8.098 -6.152 344 2HB PRO 42 2HB PRO 42 -0.574 8.415 -6.100 345 1HG PRO 42 1HG PRO 42 -2.077 5.915 -5.259 346 2HG PRO 42 2HG PRO 42 -0.560 6.007 -6.195 347 1HD PRO 42 2HD PRO 42 -0.780 5.583 -3.430 348 2HD PRO 42 1HD PRO 42 0.697 6.183 -4.243 349 H THR 43 H THR 43 -3.557 9.815 -4.715 350 HA THR 43 HA THR 43 -5.244 8.734 -2.567 351 HB THR 43 HB THR 43 -6.307 10.349 -4.870 352 HG1 THR 43 HG1 THR 43 -4.590 11.286 -2.812 353 1HG2 THR 43 2HG2 THR 43 -6.751 10.465 -1.847 354 2HG2 THR 43 1HG2 THR 43 -7.594 11.442 -3.064 355 3HG2 THR 43 3HG2 THR 43 -7.829 9.686 -3.024 356 H ALA 44 H ALA 44 -7.150 7.449 -2.996 357 HA ALA 44 HA ALA 44 -7.264 6.074 -5.652 358 1HB ALA 44 3HB ALA 44 -7.445 4.814 -2.892 359 2HB ALA 44 1HB ALA 44 -7.792 3.999 -4.433 360 3HB ALA 44 2HB ALA 44 -6.154 4.590 -4.092 361 H MET 45 H MET 45 -9.255 6.157 -6.526 362 HA MET 45 HA MET 45 -11.402 7.508 -5.075 363 1HB MET 45 1HB MET 45 -11.129 6.427 -7.915 364 2HB MET 45 2HB MET 45 -12.500 7.360 -7.303 365 1HG MET 45 1HG MET 45 -9.637 8.382 -7.498 366 2HG MET 45 2HG MET 45 -10.965 8.758 -8.586 367 1HE MET 45 1HE MET 45 -8.847 10.284 -6.130 368 2HE MET 45 2HE MET 45 -9.865 10.992 -4.857 369 3HE MET 45 3HE MET 45 -9.603 9.236 -4.902 370 CH2 TRP 46 CH2 TRP 46 -20.534 3.189 -4.057 371 H TRP 46 H TRP 46 -13.574 6.650 -5.089 372 HA TRP 46 HA TRP 46 -13.800 4.147 -3.880 373 1HB TRP 46 1HB TRP 46 -15.417 6.212 -3.941 374 2HB TRP 46 2HB TRP 46 -16.000 5.522 -5.435 375 HD1 TRP 46 HD1 TRP 46 -15.273 3.886 -1.977 376 HE1 TRP 46 HE1 TRP 46 -17.377 2.549 -1.257 377 HE3 TRP 46 HE3 TRP 46 -18.333 5.203 -5.758 378 HZ2 TRP 46 HZ2 TRP 46 -20.061 2.156 -2.216 379 HZ3 TRP 46 HZ3 TRP 46 -20.703 4.350 -5.871 380 HH2 TRP 46 HH2 TRP 46 -21.551 2.825 -4.100 381 HA PRO 47 HA PRO 47 -15.300 2.068 -3.968 382 1HB PRO 47 2HB PRO 47 -14.726 -0.525 -4.214 383 2HB PRO 47 1HB PRO 47 -16.007 0.255 -5.177 384 1HG PRO 47 2HG PRO 47 -13.140 -0.243 -6.049 385 2HG PRO 47 1HG PRO 47 -14.635 -0.738 -6.901 386 1HD PRO 47 2HD PRO 47 -13.358 1.588 -7.529 387 2HD PRO 47 1HD PRO 47 -15.141 1.519 -7.490 388 OH TYR 48 OH TYR 48 -9.963 -3.306 -6.758 389 H TYR 48 H TYR 48 -12.012 2.606 -4.877 390 HA TYR 48 HA TYR 48 -10.938 1.065 -2.575 391 1HB TYR 48 2HB TYR 48 -9.651 2.539 -4.879 392 2HB TYR 48 1HB TYR 48 -8.747 1.819 -3.545 393 HD1 TYR 48 HD2 TYR 48 -9.132 -0.739 -3.107 394 HD2 TYR 48 HD1 TYR 48 -10.287 1.237 -6.763 395 HE1 TYR 48 HE2 TYR 48 -9.325 -2.933 -4.241 396 HE2 TYR 48 HE1 TYR 48 -10.431 -0.954 -7.900 397 HH TYR 48 HH TYR 48 -10.221 -3.245 -7.680 398 H GLN 49 H GLN 49 -9.351 2.032 -1.238 399 HA GLN 49 HA GLN 49 -9.077 4.921 -1.239 400 1HB GLN 49 2HB GLN 49 -11.059 3.935 0.428 401 2HB GLN 49 1HB GLN 49 -9.636 3.895 1.483 402 1HG GLN 49 1HG GLN 49 -10.668 6.316 -0.052 403 2HG GLN 49 2HG GLN 49 -10.839 6.050 1.688 404 1HE2 GLN 49 2HE2 GLN 49 -7.307 6.646 2.314 405 2HE2 GLN 49 1HE2 GLN 49 -8.780 5.951 2.995 406 H THR 50 H THR 50 -7.094 5.485 -0.416 407 HA THR 50 HA THR 50 -5.191 3.321 0.327 408 HB THR 50 HB THR 50 -3.619 5.416 -0.314 409 HG1 THR 50 HG1 THR 50 -4.525 6.590 -1.957 410 1HG2 THR 50 2HG2 THR 50 -4.984 3.600 -2.331 411 2HG2 THR 50 3HG2 THR 50 -3.467 4.495 -2.596 412 3HG2 THR 50 1HG2 THR 50 -3.546 3.227 -1.359 413 H GLU 51 H GLU 51 -4.038 3.375 2.174 414 HA GLU 51 HA GLU 51 -4.135 5.865 3.818 415 1HB GLU 51 2HB GLU 51 -3.931 4.571 5.851 416 2HB GLU 51 1HB GLU 51 -5.465 4.301 5.023 417 1HG GLU 51 2HG GLU 51 -4.364 2.269 3.976 418 2HG GLU 51 1HG GLU 51 -3.046 2.471 5.151 419 H CYS 52 H CYS 52 -2.158 6.664 4.212 420 HA CYS 52 HA CYS 52 0.082 5.427 2.815 421 1HB CYS 52 2HB CYS 52 -0.041 8.068 4.240 422 2HB CYS 52 1HB CYS 52 1.020 7.612 2.914 423 H CYS 53 H CYS 53 2.291 5.715 3.790 424 HA CYS 53 HA CYS 53 2.576 6.247 6.626 425 1HB CYS 53 2HB CYS 53 3.615 4.140 7.223 426 2HB CYS 53 1HB CYS 53 1.947 3.859 6.704 427 H LYS 54 H LYS 54 5.017 6.114 7.162 428 HA LYS 54 HA LYS 54 6.720 6.722 4.820 429 1HB LYS 54 1HB LYS 54 7.840 8.243 6.506 430 2HB LYS 54 2HB LYS 54 6.335 8.835 5.783 431 1HG LYS 54 2HG LYS 54 5.101 8.279 7.830 432 2HG LYS 54 1HG LYS 54 6.556 7.542 8.542 433 1HD LYS 54 1HD LYS 54 7.707 9.738 8.450 434 2HD LYS 54 2HD LYS 54 6.259 10.469 7.723 435 1HE LYS 54 2HE LYS 54 4.945 9.883 9.754 436 2HE LYS 54 1HE LYS 54 6.387 9.144 10.476 437 1HZ LYS 54 3HZ LYS 54 6.105 11.969 9.728 438 2HZ LYS 54 1HZ LYS 54 6.039 11.359 11.257 439 3HZ LYS 54 2HZ LYS 54 7.444 11.282 10.401 440 H GLY 55 H GLY 55 8.721 5.760 4.868 441 1HA GLY 55 2HA GLY 55 10.578 4.992 6.268 442 2HA GLY 55 1HA GLY 55 9.450 4.156 7.326 443 H ASP 56 H ASP 56 11.678 2.948 6.100 444 HA ASP 56 HA ASP 56 11.084 1.572 3.688 445 1HB ASP 56 2HB ASP 56 13.024 1.057 5.977 446 2HB ASP 56 1HB ASP 56 12.875 -0.034 4.601 447 NH1 ARG 57 NH2 ARG 57 13.293 -4.995 3.223 448 NH2 ARG 57 NH1 ARG 57 12.574 -6.342 1.475 449 H ARG 57 H ARG 57 9.722 0.033 3.315 450 HA ARG 57 HA ARG 57 8.077 -1.547 3.574 451 1HB ARG 57 2HB ARG 57 10.034 -2.503 5.726 452 2HB ARG 57 1HB ARG 57 8.596 -3.394 5.250 453 1HG ARG 57 1HG ARG 57 9.402 -3.395 2.879 454 2HG ARG 57 2HG ARG 57 10.944 -2.722 3.461 455 1HD ARG 57 2HD ARG 57 11.259 -4.715 4.913 456 2HD ARG 57 1HD ARG 57 9.662 -5.303 4.474 457 HE ARG 57 HE ARG 57 10.343 -5.973 2.384 458 1HH1 ARG 57 2HH2 ARG 57 13.071 -4.408 4.012 459 2HH1 ARG 57 1HH2 ARG 57 14.255 -5.100 2.937 460 1HH2 ARG 57 1HH1 ARG 57 11.795 -6.767 0.977 461 2HH2 ARG 57 2HH1 ARG 57 13.517 -6.482 1.147 462 H CYS 58 H CYS 58 7.753 1.057 5.114 463 HA CYS 58 HA CYS 58 6.610 0.476 7.621 464 1HB CYS 58 2HB CYS 58 5.568 2.622 7.446 465 2HB CYS 58 1HB CYS 58 7.222 2.702 6.849 466 H ASN 59 H ASN 59 5.252 0.105 4.353 467 HA ASN 59 HA ASN 59 2.497 -0.178 5.372 468 1HB ASN 59 2HB ASN 59 1.916 -0.494 3.031 469 2HB ASN 59 1HB ASN 59 2.810 1.003 3.262 470 1HD2 ASN 59 2HD2 ASN 59 3.926 -0.903 0.159 471 2HD2 ASN 59 1HD2 ASN 59 2.586 0.029 0.766 472 H LYS 60 H LYS 60 3.712 -1.918 6.773 473 HA LYS 60 HA LYS 60 3.748 -4.568 5.438 474 1HB LYS 60 2HB LYS 60 4.807 -5.431 7.302 475 2HB LYS 60 1HB LYS 60 5.586 -3.873 7.051 476 1HG LYS 60 1HG LYS 60 3.481 -4.546 9.168 477 2HG LYS 60 2HG LYS 60 5.228 -4.433 9.403 478 1HD LYS 60 1HD LYS 60 5.078 -1.995 8.652 479 2HD LYS 60 2HD LYS 60 3.307 -2.183 8.702 480 1HE LYS 60 2HE LYS 60 3.996 -1.163 10.752 481 2HE LYS 60 1HE LYS 60 3.446 -2.809 11.106 482 1HZ LYS 60 3HZ LYS 60 6.250 -1.957 10.813 483 2HZ LYS 60 2HZ LYS 60 5.479 -2.237 12.243 484 3HZ LYS 60 1HZ LYS 60 5.744 -3.479 11.195 Start of MODEL 13 Raw file had 484 H/Q atoms Start of MODEL 13 1 NH1 ARG 1 NH1 ARG 1 10.371 6.273 4.129 2 NH2 ARG 1 NH2 ARG 1 12.201 5.457 5.298 3 1H ARG 1 1H ARG 1 14.597 2.806 0.413 4 2H ARG 1 2H ARG 1 13.618 3.468 -0.736 5 3H ARG 1 3H ARG 1 14.296 4.436 0.413 6 HA ARG 1 HA ARG 1 13.044 3.313 2.114 7 1HB ARG 1 2HB ARG 1 12.109 5.344 1.310 8 2HB ARG 1 1HB ARG 1 11.626 4.621 -0.224 9 1HG ARG 1 2HG ARG 1 9.770 5.187 1.335 10 2HG ARG 1 1HG ARG 1 9.755 3.554 0.693 11 1HD ARG 1 2HD ARG 1 9.169 3.968 3.192 12 2HD ARG 1 1HD ARG 1 10.168 2.599 2.770 13 HE ARG 1 HE ARG 1 11.914 3.448 3.929 14 1HH1 ARG 1 2HH1 ARG 1 9.648 6.177 3.421 15 2HH1 ARG 1 1HH1 ARG 1 10.384 7.131 4.660 16 1HH2 ARG 1 2HH2 ARG 1 12.831 4.684 5.511 17 2HH2 ARG 1 1HH2 ARG 1 12.275 6.311 5.830 18 H ILE 2 H ILE 2 12.613 1.190 2.600 19 HA ILE 2 HA ILE 2 11.917 -0.709 0.467 20 HB ILE 2 HB ILE 2 12.002 -1.084 3.501 21 1HG1 ILE 2 2HG1 ILE 2 14.225 -0.377 2.722 22 2HG1 ILE 2 1HG1 ILE 2 14.198 -2.052 3.267 23 1HG2 ILE 2 1HG2 ILE 2 11.945 -3.055 1.161 24 2HG2 ILE 2 2HG2 ILE 2 12.277 -3.505 2.848 25 3HG2 ILE 2 3HG2 ILE 2 10.707 -2.833 2.392 26 1HD1 ILE 2 3HD1 ILE 2 14.071 -1.170 0.362 27 2HD1 ILE 2 1HD1 ILE 2 15.513 -1.756 1.209 28 3HD1 ILE 2 2HD1 ILE 2 14.144 -2.849 0.942 29 H CYS 3 H CYS 3 9.789 -1.188 -0.121 30 HA CYS 3 HA CYS 3 7.704 -0.938 1.984 31 1HB CYS 3 1HB CYS 3 7.658 0.590 -0.638 32 2HB CYS 3 2HB CYS 3 6.201 0.181 0.260 33 OH TYR 4 OH TYR 4 6.814 -6.810 5.815 34 H TYR 4 H TYR 4 5.691 -1.929 1.253 35 HA TYR 4 HA TYR 4 6.369 -4.501 0.025 36 1HB TYR 4 1HB TYR 4 4.063 -3.398 1.633 37 2HB TYR 4 2HB TYR 4 3.923 -4.927 0.803 38 HD1 TYR 4 HD2 TYR 4 5.363 -6.875 1.520 39 HD2 TYR 4 HD1 TYR 4 5.483 -3.095 3.591 40 HE1 TYR 4 HE2 TYR 4 6.384 -7.976 3.495 41 HE2 TYR 4 HE1 TYR 4 6.355 -4.217 5.591 42 HH TYR 4 HH TYR 4 6.901 -6.207 6.560 43 H SER 5 H SER 5 5.350 -5.321 -1.756 44 HA SER 5 HA SER 5 3.381 -3.685 -3.256 45 1HB SER 5 1HB SER 5 6.158 -4.363 -4.300 46 2HB SER 5 2HB SER 5 4.802 -3.835 -5.315 47 HG SER 5 HG SER 5 5.142 -2.237 -3.111 48 H HIS 6 H HIS 6 2.118 -5.437 -2.495 49 HA HIS 6 HA HIS 6 1.802 -7.506 -4.424 50 1HB HIS 6 1HB HIS 6 1.912 -9.409 -2.975 51 2HB HIS 6 2HB HIS 6 3.464 -8.591 -2.842 52 HD1 HIS 6 HD1 HIS 6 3.806 -7.119 -0.549 53 HD2 HIS 6 HD2 HIS 6 0.549 -9.775 -0.632 54 HE1 HIS 6 HE1 HIS 6 2.970 -7.386 1.845 55 H LYS 7 H LYS 7 -0.394 -8.704 -3.625 56 HA LYS 7 HA LYS 7 -2.030 -7.179 -1.820 57 1HB LYS 7 1HB LYS 7 -3.442 -6.103 -3.302 58 2HB LYS 7 2HB LYS 7 -1.875 -5.794 -4.039 59 1HG LYS 7 1HG LYS 7 -3.996 -7.799 -4.919 60 2HG LYS 7 2HG LYS 7 -3.533 -6.306 -5.719 61 1HD LYS 7 1HD LYS 7 -1.403 -7.175 -6.413 62 2HD LYS 7 2HD LYS 7 -1.588 -8.624 -5.421 63 1HE LYS 7 2HE LYS 7 -2.081 -9.214 -7.698 64 2HE LYS 7 1HE LYS 7 -3.539 -9.356 -6.711 65 1HZ LYS 7 1HZ LYS 7 -2.875 -7.085 -8.462 66 2HZ LYS 7 3HZ LYS 7 -3.962 -8.277 -8.801 67 3HZ LYS 7 2HZ LYS 7 -4.246 -7.233 -7.560 68 H ALA 8 H ALA 8 -4.377 -8.134 -1.992 69 HA ALA 8 HA ALA 8 -5.603 -10.084 -1.696 70 1HB ALA 8 3HB ALA 8 -5.716 -9.577 -4.152 71 2HB ALA 8 1HB ALA 8 -4.427 -10.769 -4.417 72 3HB ALA 8 2HB ALA 8 -5.999 -11.268 -3.750 73 H SER 9 H SER 9 -5.052 -12.702 -2.770 74 HA SER 9 HA SER 9 -3.434 -13.717 -0.562 75 1HB SER 9 1HB SER 9 -4.234 -15.909 -1.573 76 2HB SER 9 2HB SER 9 -5.520 -14.784 -1.102 77 HG SER 9 HG SER 9 -4.471 -15.184 -3.704 78 H LEU 10 H LEU 10 -1.570 -12.323 -1.823 79 HA LEU 10 HA LEU 10 -0.031 -14.297 -3.497 80 1HB LEU 10 2HB LEU 10 -0.193 -11.275 -3.591 81 2HB LEU 10 1HB LEU 10 1.306 -12.068 -3.993 82 HG LEU 10 HG LEU 10 0.211 -13.427 -5.736 83 1HD1 LEU 10 3HD2 LEU 10 -2.229 -11.687 -5.166 84 2HD1 LEU 10 2HD2 LEU 10 -2.009 -12.697 -6.606 85 3HD1 LEU 10 1HD2 LEU 10 -2.128 -13.455 -5.019 86 1HD2 LEU 10 3HD1 LEU 10 1.384 -11.333 -6.264 87 2HD2 LEU 10 2HD1 LEU 10 -0.001 -11.564 -7.344 88 3HD2 LEU 10 1HD1 LEU 10 -0.109 -10.411 -5.997 89 HA PRO 11 HA PRO 11 2.832 -14.397 -0.134 90 1HB PRO 11 1HB PRO 11 5.306 -14.507 -1.353 91 2HB PRO 11 2HB PRO 11 4.155 -15.875 -1.333 92 1HG PRO 11 2HG PRO 11 4.534 -13.816 -3.525 93 2HG PRO 11 1HG PRO 11 4.493 -15.597 -3.697 94 1HD PRO 11 2HD PRO 11 2.297 -14.114 -4.182 95 2HD PRO 11 1HD PRO 11 2.135 -15.650 -3.287 96 NH1 ARG 12 NH1 ARG 12 2.070 -8.383 4.524 97 NH2 ARG 12 NH2 ARG 12 3.802 -7.364 5.581 98 H ARG 12 H ARG 12 4.274 -12.994 1.064 99 HA ARG 12 HA ARG 12 3.798 -10.226 0.444 100 1HB ARG 12 2HB ARG 12 5.539 -11.461 2.606 101 2HB ARG 12 1HB ARG 12 5.078 -9.751 2.423 102 1HG ARG 12 1HG ARG 12 2.682 -10.361 2.621 103 2HG ARG 12 2HG ARG 12 3.103 -12.064 2.783 104 1HD ARG 12 2HD ARG 12 2.609 -11.081 4.976 105 2HD ARG 12 1HD ARG 12 4.278 -11.641 4.875 106 HE ARG 12 HE ARG 12 5.014 -9.521 5.240 107 1HH1 ARG 12 2HH1 ARG 12 1.642 -9.149 4.028 108 2HH1 ARG 12 1HH1 ARG 12 1.591 -7.484 4.643 109 1HH2 ARG 12 2HH2 ARG 12 4.744 -7.326 5.947 110 2HH2 ARG 12 1HH2 ARG 12 3.179 -6.553 5.601 111 H ALA 13 H ALA 13 4.827 -9.231 -1.098 112 HA ALA 13 HA ALA 13 7.757 -9.651 -1.551 113 1HB ALA 13 2HB ALA 13 6.318 -10.376 -3.447 114 2HB ALA 13 1HB ALA 13 5.643 -8.734 -3.545 115 3HB ALA 13 3HB ALA 13 7.365 -9.004 -3.864 116 H THR 14 H THR 14 9.036 -7.822 -1.816 117 HA THR 14 HA THR 14 7.882 -5.168 -1.206 118 HB THR 14 HB THR 14 9.982 -4.841 0.186 119 HG1 THR 14 HG1 THR 14 11.101 -6.677 -0.744 120 1HG2 THR 14 2HG2 THR 14 8.115 -7.037 1.162 121 2HG2 THR 14 3HG2 THR 14 9.289 -6.167 2.165 122 3HG2 THR 14 1HG2 THR 14 7.959 -5.277 1.418 123 H LYS 15 H LYS 15 9.317 -3.399 -1.708 124 HA LYS 15 HA LYS 15 11.465 -3.943 -3.659 125 1HB LYS 15 2HB LYS 15 10.592 -2.467 -5.328 126 2HB LYS 15 1HB LYS 15 9.356 -3.685 -4.990 127 1HG LYS 15 2HG LYS 15 8.175 -2.014 -3.519 128 2HG LYS 15 1HG LYS 15 9.401 -0.805 -3.953 129 1HD LYS 15 2HD LYS 15 8.797 -1.197 -6.398 130 2HD LYS 15 1HD LYS 15 7.437 -2.182 -5.816 131 1HE LYS 15 1HE LYS 15 6.680 -0.166 -4.457 132 2HE LYS 15 2HE LYS 15 7.958 0.775 -5.254 133 1HZ LYS 15 2HZ LYS 15 6.917 0.263 -7.349 134 2HZ LYS 15 1HZ LYS 15 5.732 -0.597 -6.588 135 3HZ LYS 15 3HZ LYS 15 5.861 1.028 -6.341 136 H THR 16 H THR 16 12.912 -2.208 -3.880 137 HA THR 16 HA THR 16 13.030 -0.349 -1.589 138 HB THR 16 HB THR 16 15.070 -1.011 -3.757 139 HG1 THR 16 HG1 THR 16 15.900 -2.406 -2.176 140 1HG2 THR 16 3HG2 THR 16 15.367 0.296 -1.005 141 2HG2 THR 16 1HG2 THR 16 16.695 -0.125 -2.103 142 3HG2 THR 16 2HG2 THR 16 15.531 1.124 -2.570 143 H CYS 17 H CYS 17 11.509 1.268 -2.160 144 HA CYS 17 HA CYS 17 11.661 2.478 -4.867 145 1HB CYS 17 1HB CYS 17 9.487 2.021 -3.429 146 2HB CYS 17 2HB CYS 17 9.982 3.593 -2.758 147 H VAL 18 H VAL 18 11.512 4.940 -4.798 148 HA VAL 18 HA VAL 18 13.856 6.002 -3.343 149 HB VAL 18 HB VAL 18 13.569 6.050 -5.840 150 1HG1 VAL 18 1HG1 VAL 18 11.204 6.744 -6.030 151 2HG1 VAL 18 3HG1 VAL 18 11.670 8.366 -5.446 152 3HG1 VAL 18 2HG1 VAL 18 12.327 7.742 -6.959 153 1HG2 VAL 18 2HG2 VAL 18 15.215 7.457 -4.641 154 2HG2 VAL 18 1HG2 VAL 18 14.577 8.299 -6.063 155 3HG2 VAL 18 3HG2 VAL 18 13.991 8.729 -4.443 156 H GLU 19 H GLU 19 10.484 6.755 -4.071 157 HA GLU 19 HA GLU 19 10.209 9.153 -2.664 158 1HB GLU 19 2HB GLU 19 8.084 6.969 -2.688 159 2HB GLU 19 1HB GLU 19 7.789 8.679 -2.407 160 1HG GLU 19 1HG GLU 19 8.736 7.408 -4.957 161 2HG GLU 19 2HG GLU 19 7.151 8.112 -4.678 162 H ASN 20 H ASN 20 9.592 9.758 -0.630 163 HA ASN 20 HA ASN 20 10.459 8.094 1.566 164 1HB ASN 20 2HB ASN 20 10.686 10.529 1.666 165 2HB ASN 20 1HB ASN 20 8.949 10.735 1.396 166 1HD2 ASN 20 2HD2 ASN 20 10.235 9.568 5.135 167 2HD2 ASN 20 1HD2 ASN 20 11.253 9.206 3.743 168 H THR 21 H THR 21 7.362 8.549 -0.132 169 HA THR 21 HA THR 21 5.875 7.409 2.180 170 HB THR 21 HB THR 21 3.948 8.369 0.822 171 HG1 THR 21 HG1 THR 21 4.682 10.098 -0.605 172 1HG2 THR 21 1HG2 THR 21 6.047 10.288 1.937 173 2HG2 THR 21 3HG2 THR 21 4.365 10.723 1.569 174 3HG2 THR 21 2HG2 THR 21 4.705 9.527 2.824 175 H CYS 22 H CYS 22 4.341 5.756 1.778 176 HA CYS 22 HA CYS 22 4.121 4.569 -0.888 177 1HB CYS 22 1HB CYS 22 4.706 2.897 1.575 178 2HB CYS 22 2HB CYS 22 4.596 2.336 -0.071 179 OH TYR 23 OH TYR 23 -0.364 2.315 -5.964 180 H TYR 23 H TYR 23 2.406 2.711 -0.575 181 HA TYR 23 HA TYR 23 0.414 3.388 1.498 182 1HB TYR 23 1HB TYR 23 -1.347 3.750 -0.125 183 2HB TYR 23 2HB TYR 23 -0.038 4.874 -0.416 184 HD1 TYR 23 HD1 TYR 23 1.437 4.581 -2.462 185 HD2 TYR 23 HD2 TYR 23 -1.832 1.887 -1.685 186 HE1 TYR 23 HE1 TYR 23 1.305 4.026 -4.876 187 HE2 TYR 23 HE2 TYR 23 -1.892 1.262 -4.070 188 HH TYR 23 HH TYR 23 -0.977 1.598 -6.174 189 H LYS 24 H LYS 24 -1.402 2.100 1.385 190 HA LYS 24 HA LYS 24 -1.222 -0.465 -0.032 191 1HB LYS 24 1HB LYS 24 -2.199 -1.691 1.855 192 2HB LYS 24 2HB LYS 24 -0.555 -1.122 2.207 193 1HG LYS 24 2HG LYS 24 -1.271 0.461 3.760 194 2HG LYS 24 1HG LYS 24 -2.917 0.533 3.125 195 1HD LYS 24 2HD LYS 24 -2.996 -0.663 5.217 196 2HD LYS 24 1HD LYS 24 -3.417 -1.730 3.888 197 1HE LYS 24 1HE LYS 24 -1.960 -2.889 5.475 198 2HE LYS 24 2HE LYS 24 -1.095 -2.702 3.951 199 1HZ LYS 24 3HZ LYS 24 -0.799 -0.981 6.317 200 2HZ LYS 24 1HZ LYS 24 0.213 -2.201 5.836 201 3HZ LYS 24 2HZ LYS 24 0.049 -0.844 4.901 202 H MET 25 H MET 25 -3.104 -0.899 -1.043 203 HA MET 25 HA MET 25 -5.295 1.118 -0.737 204 1HB MET 25 2HB MET 25 -4.120 0.977 -2.923 205 2HB MET 25 1HB MET 25 -4.765 -0.673 -3.002 206 1HG MET 25 1HG MET 25 -7.084 0.246 -2.800 207 2HG MET 25 2HG MET 25 -6.411 1.871 -2.880 208 1HE MET 25 2HE MET 25 -5.363 2.915 -5.062 209 2HE MET 25 1HE MET 25 -4.161 1.604 -5.178 210 3HE MET 25 3HE MET 25 -5.153 2.025 -6.587 211 H PHE 26 H PHE 26 -7.233 0.426 0.009 212 HA PHE 26 HA PHE 26 -8.013 -2.421 -0.235 213 1HB PHE 26 1HB PHE 26 -8.913 -2.309 2.136 214 2HB PHE 26 2HB PHE 26 -7.180 -2.437 1.939 215 HD1 PHE 26 HD2 PHE 26 -9.582 0.541 2.065 216 HD2 PHE 26 HD1 PHE 26 -6.182 -1.494 3.782 217 HE1 PHE 26 HE2 PHE 26 -9.308 2.362 3.686 218 HE2 PHE 26 HE1 PHE 26 -5.933 0.341 5.412 219 HZ PHE 26 HZ PHE 26 -7.388 2.337 5.294 220 H ILE 27 H ILE 27 -10.518 -2.348 0.751 221 HA ILE 27 HA ILE 27 -11.798 -0.384 -1.075 222 HB ILE 27 HB ILE 27 -12.940 -2.780 0.379 223 1HG1 ILE 27 1HG1 ILE 27 -12.148 -2.386 -2.557 224 2HG1 ILE 27 2HG1 ILE 27 -11.229 -3.320 -1.380 225 1HG2 ILE 27 3HG2 ILE 27 -14.598 -0.927 -0.233 226 2HG2 ILE 27 1HG2 ILE 27 -14.124 -1.167 -1.916 227 3HG2 ILE 27 2HG2 ILE 27 -14.918 -2.462 -1.017 228 1HD1 ILE 27 3HD1 ILE 27 -13.173 -4.840 -1.063 229 2HD1 ILE 27 1HD1 ILE 27 -14.012 -3.986 -2.386 230 3HD1 ILE 27 2HD1 ILE 27 -12.500 -4.846 -2.706 231 NH1 ARG 28 NH1 ARG 28 -11.923 6.726 -1.277 232 NH2 ARG 28 NH2 ARG 28 -12.270 8.585 0.034 233 H ARG 28 H ARG 28 -13.144 1.205 -0.267 234 HA ARG 28 HA ARG 28 -12.579 2.321 2.264 235 1HB ARG 28 2HB ARG 28 -14.791 2.673 0.215 236 2HB ARG 28 1HB ARG 28 -14.965 3.437 1.795 237 1HG ARG 28 1HG ARG 28 -12.840 4.610 1.543 238 2HG ARG 28 2HG ARG 28 -12.623 3.903 -0.074 239 1HD ARG 28 1HD ARG 28 -14.240 5.266 -1.040 240 2HD ARG 28 2HD ARG 28 -15.176 5.385 0.452 241 HE ARG 28 HE ARG 28 -14.047 7.217 1.103 242 1HH1 ARG 28 2HH1 ARG 28 -12.088 5.748 -1.492 243 2HH1 ARG 28 1HH1 ARG 28 -11.141 7.181 -1.739 244 1HH2 ARG 28 1HH2 ARG 28 -12.768 9.063 0.770 245 2HH2 ARG 28 2HH2 ARG 28 -11.512 9.054 -0.442 246 H THR 29 H THR 29 -15.077 -0.045 1.414 247 HA THR 29 HA THR 29 -16.263 0.026 4.108 248 HB THR 29 HB THR 29 -17.758 -1.705 2.996 249 HG1 THR 29 HG1 THR 29 -17.027 -2.450 1.152 250 1HG2 THR 29 2HG2 THR 29 -18.382 0.692 3.086 251 2HG2 THR 29 1HG2 THR 29 -17.501 0.986 1.570 252 3HG2 THR 29 3HG2 THR 29 -18.927 -0.070 1.579 253 H HIS 30 H HIS 30 -13.626 -1.638 2.583 254 HA HIS 30 HA HIS 30 -13.725 -3.779 4.635 255 1HB HIS 30 1HB HIS 30 -13.143 -4.496 1.751 256 2HB HIS 30 2HB HIS 30 -13.423 -5.553 3.126 257 HD1 HIS 30 HD1 HIS 30 -16.087 -4.770 4.221 258 HD2 HIS 30 HD2 HIS 30 -15.300 -4.428 0.124 259 HE1 HIS 30 HE1 HIS 30 -18.319 -4.538 3.045 260 NH1 ARG 31 NH2 ARG 31 -11.629 2.753 7.529 261 NH2 ARG 31 NH1 ARG 31 -13.553 3.070 6.259 262 H ARG 31 H ARG 31 -12.149 -2.525 5.619 263 HA ARG 31 HA ARG 31 -9.710 -1.702 4.419 264 1HB ARG 31 1HB ARG 31 -10.161 -2.417 7.347 265 2HB ARG 31 2HB ARG 31 -9.004 -1.270 6.673 266 1HG ARG 31 2HG ARG 31 -12.043 -0.939 6.749 267 2HG ARG 31 1HG ARG 31 -10.874 -0.126 7.775 268 1HD ARG 31 2HD ARG 31 -10.001 1.173 5.960 269 2HD ARG 31 1HD ARG 31 -10.785 0.153 4.748 270 HE ARG 31 HE ARG 31 -12.743 1.197 4.939 271 1HH1 ARG 31 2HH2 ARG 31 -10.788 2.223 7.699 272 2HH1 ARG 31 1HH2 ARG 31 -11.876 3.512 8.145 273 1HH2 ARG 31 1HH1 ARG 31 -14.112 2.760 5.468 274 2HH2 ARG 31 2HH1 ARG 31 -13.866 3.835 6.836 275 H GLU 32 H GLU 32 -10.664 -4.625 6.161 276 HA GLU 32 HA GLU 32 -8.033 -5.838 6.138 277 1HB GLU 32 1HB GLU 32 -10.805 -6.945 6.790 278 2HB GLU 32 2HB GLU 32 -9.259 -7.733 7.123 279 1HG GLU 32 2HG GLU 32 -8.573 -5.822 8.553 280 2HG GLU 32 1HG GLU 32 -10.148 -5.057 8.296 281 OH TYR 33 OH TYR 33 -8.660 -8.526 -3.756 282 H TYR 33 H TYR 33 -8.450 -5.165 3.580 283 HA TYR 33 HA TYR 33 -8.184 -7.708 2.228 284 1HB TYR 33 1HB TYR 33 -10.621 -7.502 2.067 285 2HB TYR 33 2HB TYR 33 -10.472 -5.844 1.473 286 HD1 TYR 33 HD1 TYR 33 -9.306 -9.342 0.666 287 HD2 TYR 33 HD2 TYR 33 -10.357 -5.453 -0.860 288 HE1 TYR 33 HE1 TYR 33 -8.612 -10.042 -1.612 289 HE2 TYR 33 HE2 TYR 33 -9.702 -6.164 -3.134 290 HH TYR 33 HH TYR 33 -8.760 -7.838 -4.417 291 H ILE 34 H ILE 34 -6.159 -7.142 1.514 292 HA ILE 34 HA ILE 34 -5.619 -4.399 0.670 293 HB ILE 34 HB ILE 34 -3.808 -6.831 0.416 294 1HG1 ILE 34 1HG1 ILE 34 -4.401 -6.662 2.765 295 2HG1 ILE 34 2HG1 ILE 34 -2.760 -6.088 2.506 296 1HG2 ILE 34 2HG2 ILE 34 -3.430 -3.801 0.315 297 2HG2 ILE 34 3HG2 ILE 34 -2.099 -4.930 0.546 298 3HG2 ILE 34 1HG2 ILE 34 -3.053 -4.994 -0.941 299 1HD1 ILE 34 2HD1 ILE 34 -3.570 -3.731 2.616 300 2HD1 ILE 34 1HD1 ILE 34 -5.215 -4.326 2.948 301 3HD1 ILE 34 3HD1 ILE 34 -3.904 -4.648 4.091 302 H SER 35 H SER 35 -6.401 -3.749 -1.146 303 HA SER 35 HA SER 35 -7.115 -5.448 -3.421 304 1HB SER 35 2HB SER 35 -7.224 -2.436 -2.890 305 2HB SER 35 1HB SER 35 -7.857 -3.246 -4.309 306 HG SER 35 HG SER 35 -8.593 -4.070 -1.687 307 H GLU 36 H GLU 36 -4.758 -2.931 -2.537 308 HA GLU 36 HA GLU 36 -2.896 -3.830 -4.616 309 1HB GLU 36 1HB GLU 36 -4.631 -1.863 -5.443 310 2HB GLU 36 2HB GLU 36 -3.386 -0.879 -4.673 311 1HG GLU 36 2HG GLU 36 -1.695 -2.178 -6.178 312 2HG GLU 36 1HG GLU 36 -3.128 -2.746 -7.037 313 NH1 ARG 37 NH2 ARG 37 0.114 -6.109 0.512 314 NH2 ARG 37 NH1 ARG 37 0.420 -5.988 2.788 315 H ARG 37 H ARG 37 -0.905 -2.122 -4.439 316 HA ARG 37 HA ARG 37 -0.517 -0.778 -1.952 317 1HB ARG 37 1HB ARG 37 0.900 -3.411 -2.545 318 2HB ARG 37 2HB ARG 37 1.787 -2.063 -1.828 319 1HG ARG 37 1HG ARG 37 0.263 -1.979 0.082 320 2HG ARG 37 2HG ARG 37 -0.514 -3.456 -0.521 321 1HD ARG 37 2HD ARG 37 1.881 -4.458 -0.532 322 2HD ARG 37 1HD ARG 37 2.349 -2.974 0.305 323 HE ARG 37 HE ARG 37 1.489 -3.760 2.263 324 1HH1 ARG 37 2HH2 ARG 37 0.161 -5.704 -0.417 325 2HH1 ARG 37 1HH2 ARG 37 -0.178 -7.070 0.617 326 1HH2 ARG 37 1HH1 ARG 37 0.844 -5.575 3.624 327 2HH2 ARG 37 2HH1 ARG 37 -0.024 -6.886 2.891 328 H GLY 38 H GLY 38 1.548 0.444 -2.111 329 1HA GLY 38 1HA GLY 38 3.217 0.155 -4.383 330 2HA GLY 38 2HA GLY 38 1.993 1.336 -4.837 331 H CYS 39 H CYS 39 4.040 2.537 -5.071 332 HA CYS 39 HA CYS 39 5.224 3.660 -2.580 333 1HB CYS 39 2HB CYS 39 6.801 2.494 -3.936 334 2HB CYS 39 1HB CYS 39 6.229 3.287 -5.414 335 H GLY 40 H GLY 40 5.548 5.963 -2.515 336 1HA GLY 40 1HA GLY 40 4.993 8.121 -2.736 337 2HA GLY 40 2HA GLY 40 4.854 7.878 -4.440 338 H CYS 41 H CYS 41 3.364 7.504 -1.661 339 HA CYS 41 HA CYS 41 0.764 6.733 -1.682 340 1HB CYS 41 2HB CYS 41 1.568 7.539 0.348 341 2HB CYS 41 1HB CYS 41 1.906 9.146 -0.285 342 HA PRO 42 HA PRO 42 -1.347 9.745 -4.387 343 1HB PRO 42 2HB PRO 42 -2.573 8.092 -6.111 344 2HB PRO 42 1HB PRO 42 -0.808 8.321 -6.163 345 1HG PRO 42 1HG PRO 42 -2.393 6.057 -4.894 346 2HG PRO 42 2HG PRO 42 -0.924 5.924 -5.899 347 1HD PRO 42 1HD PRO 42 -1.019 5.974 -3.070 348 2HD PRO 42 2HD PRO 42 0.433 6.320 -4.070 349 H THR 43 H THR 43 -3.650 10.040 -4.837 350 HA THR 43 HA THR 43 -5.343 9.334 -2.579 351 HB THR 43 HB THR 43 -6.287 10.673 -5.125 352 HG1 THR 43 HG1 THR 43 -5.392 12.624 -4.281 353 1HG2 THR 43 1HG2 THR 43 -6.819 11.207 -2.160 354 2HG2 THR 43 2HG2 THR 43 -7.551 12.089 -3.515 355 3HG2 THR 43 3HG2 THR 43 -7.925 10.378 -3.279 356 H ALA 44 H ALA 44 -7.466 8.240 -2.862 357 HA ALA 44 HA ALA 44 -7.886 6.680 -5.325 358 1HB ALA 44 3HB ALA 44 -7.625 5.447 -2.556 359 2HB ALA 44 2HB ALA 44 -8.233 4.605 -3.998 360 3HB ALA 44 1HB ALA 44 -6.549 5.168 -3.944 361 H MET 45 H MET 45 -10.079 6.370 -5.698 362 HA MET 45 HA MET 45 -11.962 7.706 -3.837 363 1HB MET 45 1HB MET 45 -11.958 7.279 -6.858 364 2HB MET 45 2HB MET 45 -13.258 8.020 -5.929 365 1HG MET 45 1HG MET 45 -10.420 9.082 -6.214 366 2HG MET 45 2HG MET 45 -11.860 9.739 -6.979 367 1HE MET 45 3HE MET 45 -13.699 11.087 -5.810 368 2HE MET 45 1HE MET 45 -14.032 9.827 -4.593 369 3HE MET 45 2HE MET 45 -13.720 11.498 -4.080 370 CH2 TRP 46 CH2 TRP 46 -21.009 3.122 -4.143 371 H TRP 46 H TRP 46 -14.097 6.830 -3.823 372 HA TRP 46 HA TRP 46 -14.349 4.192 -3.111 373 1HB TRP 46 2HB TRP 46 -16.029 6.184 -2.862 374 2HB TRP 46 1HB TRP 46 -16.464 5.723 -4.469 375 HD1 TRP 46 HD1 TRP 46 -16.044 3.648 -1.411 376 HE1 TRP 46 HE1 TRP 46 -18.152 2.061 -1.141 377 HE3 TRP 46 HE3 TRP 46 -18.734 5.489 -5.157 378 HZ2 TRP 46 HZ2 TRP 46 -20.698 1.777 -2.477 379 HZ3 TRP 46 HZ3 TRP 46 -21.034 4.603 -5.715 380 HH2 TRP 46 HH2 TRP 46 -21.996 2.745 -4.373 381 HA PRO 47 HA PRO 47 -15.542 2.097 -3.352 382 1HB PRO 47 1HB PRO 47 -14.778 -0.397 -3.932 383 2HB PRO 47 2HB PRO 47 -16.189 0.364 -4.707 384 1HG PRO 47 2HG PRO 47 -13.369 0.209 -5.824 385 2HG PRO 47 1HG PRO 47 -14.883 -0.317 -6.621 386 1HD PRO 47 2HD PRO 47 -13.834 2.163 -7.068 387 2HD PRO 47 1HD PRO 47 -15.600 1.938 -6.927 388 OH TYR 48 OH TYR 48 -10.881 -2.710 -7.226 389 H TYR 48 H TYR 48 -12.345 2.802 -4.556 390 HA TYR 48 HA TYR 48 -11.025 1.134 -2.491 391 1HB TYR 48 1HB TYR 48 -9.944 2.838 -4.759 392 2HB TYR 48 2HB TYR 48 -8.949 1.948 -3.604 393 HD1 TYR 48 HD2 TYR 48 -9.683 -0.666 -3.344 394 HD2 TYR 48 HD1 TYR 48 -10.477 1.794 -6.801 395 HE1 TYR 48 HE2 TYR 48 -10.227 -2.683 -4.657 396 HE2 TYR 48 HE1 TYR 48 -10.920 -0.246 -8.139 397 HH TYR 48 HH TYR 48 -10.818 -3.523 -6.720 398 H GLN 49 H GLN 49 -9.323 1.996 -1.223 399 HA GLN 49 HA GLN 49 -9.165 4.883 -0.837 400 1HB GLN 49 2HB GLN 49 -10.739 3.420 0.967 401 2HB GLN 49 1HB GLN 49 -9.133 3.357 1.687 402 1HG GLN 49 1HG GLN 49 -10.611 5.891 0.946 403 2HG GLN 49 2HG GLN 49 -10.340 5.275 2.581 404 1HE2 GLN 49 1HE2 GLN 49 -6.832 6.176 2.563 405 2HE2 GLN 49 2HE2 GLN 49 -8.059 5.219 3.395 406 H THR 50 H THR 50 -7.045 5.391 -0.359 407 HA THR 50 HA THR 50 -5.047 3.206 -0.053 408 HB THR 50 HB THR 50 -3.539 5.342 -0.550 409 HG1 THR 50 HG1 THR 50 -4.536 6.776 -1.897 410 1HG2 THR 50 1HG2 THR 50 -3.651 3.257 -1.858 411 2HG2 THR 50 2HG2 THR 50 -5.090 3.852 -2.697 412 3HG2 THR 50 3HG2 THR 50 -3.525 4.682 -2.908 413 H GLU 51 H GLU 51 -4.196 2.919 1.918 414 HA GLU 51 HA GLU 51 -4.319 5.219 3.875 415 1HB GLU 51 2HB GLU 51 -4.960 3.760 5.400 416 2HB GLU 51 1HB GLU 51 -4.835 2.416 4.262 417 1HG GLU 51 1HG GLU 51 -2.446 2.112 4.809 418 2HG GLU 51 2HG GLU 51 -2.535 3.497 5.908 419 H CYS 52 H CYS 52 -2.353 6.206 4.146 420 HA CYS 52 HA CYS 52 -0.056 5.102 2.627 421 1HB CYS 52 2HB CYS 52 -0.987 7.896 3.281 422 2HB CYS 52 1HB CYS 52 0.568 7.506 2.547 423 H CYS 53 H CYS 53 2.077 5.658 3.384 424 HA CYS 53 HA CYS 53 2.470 6.569 6.107 425 1HB CYS 53 2HB CYS 53 3.479 4.517 6.977 426 2HB CYS 53 1HB CYS 53 1.770 4.263 6.588 427 H LYS 54 H LYS 54 4.862 6.579 6.624 428 HA LYS 54 HA LYS 54 6.622 6.408 4.260 429 1HB LYS 54 1HB LYS 54 7.611 8.536 5.360 430 2HB LYS 54 2HB LYS 54 6.273 8.690 4.223 431 1HG LYS 54 2HG LYS 54 4.692 8.993 6.076 432 2HG LYS 54 1HG LYS 54 5.995 8.719 7.262 433 1HD LYS 54 1HD LYS 54 7.215 10.688 6.347 434 2HD LYS 54 2HD LYS 54 5.897 10.987 5.212 435 1HE LYS 54 1HE LYS 54 5.674 11.024 8.267 436 2HE LYS 54 2HE LYS 54 5.785 12.449 7.221 437 1HZ LYS 54 3HZ LYS 54 3.732 11.783 6.191 438 2HZ LYS 54 2HZ LYS 54 3.609 10.480 7.194 439 3HZ LYS 54 1HZ LYS 54 3.541 12.004 7.813 440 H GLY 55 H GLY 55 7.600 4.532 5.048 441 1HA GLY 55 2HA GLY 55 9.769 4.910 6.799 442 2HA GLY 55 1HA GLY 55 8.494 4.082 7.704 443 H ASP 56 H ASP 56 11.011 2.947 6.972 444 HA ASP 56 HA ASP 56 10.786 1.281 4.660 445 1HB ASP 56 2HB ASP 56 12.506 1.137 7.165 446 2HB ASP 56 1HB ASP 56 12.635 0.006 5.813 447 NH1 ARG 57 NH2 ARG 57 11.469 -7.358 6.809 448 NH2 ARG 57 NH1 ARG 57 9.353 -7.985 6.106 449 H ARG 57 H ARG 57 9.773 -0.665 4.383 450 HA ARG 57 HA ARG 57 8.081 -2.041 4.569 451 1HB ARG 57 1HB ARG 57 9.347 -2.638 7.284 452 2HB ARG 57 2HB ARG 57 8.410 -3.658 6.180 453 1HG ARG 57 2HG ARG 57 10.148 -3.534 4.466 454 2HG ARG 57 1HG ARG 57 11.168 -2.587 5.571 455 1HD ARG 57 2HD ARG 57 11.880 -4.880 5.614 456 2HD ARG 57 1HD ARG 57 11.136 -4.489 7.181 457 HE ARG 57 HE ARG 57 9.115 -5.566 5.524 458 1HH1 ARG 57 2HH2 ARG 57 12.159 -6.636 6.950 459 2HH1 ARG 57 1HH2 ARG 57 11.686 -8.309 7.067 460 1HH2 ARG 57 2HH1 ARG 57 8.431 -7.729 5.768 461 2HH2 ARG 57 1HH1 ARG 57 9.541 -8.948 6.339 462 H CYS 58 H CYS 58 7.383 0.738 5.614 463 HA CYS 58 HA CYS 58 5.769 0.366 7.920 464 1HB CYS 58 2HB CYS 58 4.941 2.522 7.502 465 2HB CYS 58 1HB CYS 58 6.655 2.523 7.139 466 H ASN 59 H ASN 59 4.946 0.156 4.414 467 HA ASN 59 HA ASN 59 2.076 -0.074 4.997 468 1HB ASN 59 2HB ASN 59 1.804 -0.185 2.610 469 2HB ASN 59 1HB ASN 59 2.893 1.151 2.992 470 1HD2 ASN 59 2HD2 ASN 59 4.014 -1.147 0.071 471 2HD2 ASN 59 1HD2 ASN 59 2.767 0.007 0.427 472 H LYS 60 H LYS 60 3.179 -1.945 6.448 473 HA LYS 60 HA LYS 60 3.707 -4.486 5.290 474 1HB LYS 60 1HB LYS 60 3.462 -5.309 7.592 475 2HB LYS 60 2HB LYS 60 4.456 -3.846 7.523 476 1HG LYS 60 1HG LYS 60 2.481 -2.491 8.264 477 2HG LYS 60 2HG LYS 60 1.518 -3.975 8.329 478 1HD LYS 60 2HD LYS 60 3.003 -4.894 10.069 479 2HD LYS 60 1HD LYS 60 4.079 -3.493 9.921 480 1HE LYS 60 1HE LYS 60 2.631 -3.258 11.893 481 2HE LYS 60 2HE LYS 60 2.295 -1.984 10.708 482 1HZ LYS 60 1HZ LYS 60 0.720 -4.442 11.059 483 2HZ LYS 60 3HZ LYS 60 0.302 -2.945 11.608 484 3HZ LYS 60 2HZ LYS 60 0.394 -3.232 9.989 Start of MODEL 14 Raw file had 484 H/Q atoms Start of MODEL 14 1 NH1 ARG 1 NH2 ARG 1 13.159 4.131 3.710 2 NH2 ARG 1 NH1 ARG 1 12.470 6.251 4.281 3 1H ARG 1 3H ARG 1 13.159 3.663 -1.849 4 2H ARG 1 2H ARG 1 13.939 4.626 -0.754 5 3H ARG 1 1H ARG 1 14.394 3.038 -0.965 6 HA ARG 1 HA ARG 1 13.104 3.173 1.018 7 1HB ARG 1 1HB ARG 1 11.896 5.231 0.508 8 2HB ARG 1 2HB ARG 1 11.144 4.479 -0.902 9 1HG ARG 1 2HG ARG 1 9.518 4.698 0.852 10 2HG ARG 1 1HG ARG 1 9.810 2.998 0.522 11 1HD ARG 1 1HD ARG 1 9.616 3.386 2.882 12 2HD ARG 1 2HD ARG 1 11.241 2.853 2.535 13 HE ARG 1 HE ARG 1 10.379 5.673 3.080 14 1HH1 ARG 1 2HH2 ARG 1 13.003 3.222 3.291 15 2HH1 ARG 1 1HH2 ARG 1 14.026 4.276 4.207 16 1HH2 ARG 1 1HH1 ARG 1 11.775 6.993 4.277 17 2HH2 ARG 1 2HH1 ARG 1 13.344 6.419 4.754 18 H ILE 2 H ILE 2 12.014 1.184 1.530 19 HA ILE 2 HA ILE 2 11.206 -0.532 -0.801 20 HB ILE 2 HB ILE 2 11.749 -1.268 2.110 21 1HG1 ILE 2 1HG1 ILE 2 13.859 -0.600 1.113 22 2HG1 ILE 2 2HG1 ILE 2 13.804 -2.349 1.306 23 1HG2 ILE 2 2HG2 ILE 2 11.136 -2.943 -0.359 24 2HG2 ILE 2 3HG2 ILE 2 11.783 -3.608 1.156 25 3HG2 ILE 2 1HG2 ILE 2 10.200 -2.830 1.138 26 1HD1 ILE 2 2HD1 ILE 2 13.212 -2.580 -1.116 27 2HD1 ILE 2 3HD1 ILE 2 13.360 -0.813 -1.289 28 3HD1 ILE 2 1HD1 ILE 2 14.772 -1.783 -0.840 29 H CYS 3 H CYS 3 9.035 -1.167 -0.958 30 HA CYS 3 HA CYS 3 7.221 -0.476 1.321 31 1HB CYS 3 2HB CYS 3 6.804 0.137 -1.622 32 2HB CYS 3 1HB CYS 3 5.572 0.293 -0.363 33 OH TYR 4 OH TYR 4 6.764 -7.098 5.857 34 H TYR 4 H TYR 4 5.305 -1.906 1.333 35 HA TYR 4 HA TYR 4 5.976 -4.549 0.303 36 1HB TYR 4 2HB TYR 4 3.755 -3.403 1.979 37 2HB TYR 4 1HB TYR 4 3.563 -4.969 1.206 38 HD1 TYR 4 HD2 TYR 4 5.538 -6.684 1.506 39 HD2 TYR 4 HD1 TYR 4 4.787 -3.369 4.148 40 HE1 TYR 4 HE2 TYR 4 6.556 -7.938 3.364 41 HE2 TYR 4 HE1 TYR 4 5.772 -4.637 6.013 42 HH TYR 4 HH TYR 4 6.591 -6.666 6.699 43 H SER 5 H SER 5 4.704 -5.706 -1.284 44 HA SER 5 HA SER 5 3.298 -3.899 -3.226 45 1HB SER 5 1HB SER 5 4.285 -5.348 -4.954 46 2HB SER 5 2HB SER 5 5.504 -4.588 -3.935 47 HG SER 5 HG SER 5 6.137 -6.647 -4.046 48 H HIS 6 H HIS 6 3.618 -7.318 -2.317 49 HA HIS 6 HA HIS 6 1.506 -8.449 -3.526 50 1HB HIS 6 1HB HIS 6 1.439 -10.142 -1.848 51 2HB HIS 6 2HB HIS 6 3.106 -9.622 -2.025 52 HD1 HIS 6 HD1 HIS 6 3.714 -7.592 -0.027 53 HD2 HIS 6 HD2 HIS 6 0.726 -10.453 0.712 54 HE1 HIS 6 HE1 HIS 6 3.304 -7.661 2.491 55 H LYS 7 H LYS 7 -0.630 -8.201 -3.677 56 HA LYS 7 HA LYS 7 -2.087 -6.348 -1.991 57 1HB LYS 7 1HB LYS 7 -3.952 -6.910 -3.481 58 2HB LYS 7 2HB LYS 7 -2.506 -6.355 -4.327 59 1HG LYS 7 1HG LYS 7 -1.962 -8.638 -5.039 60 2HG LYS 7 2HG LYS 7 -3.328 -9.295 -4.130 61 1HD LYS 7 2HD LYS 7 -3.544 -7.280 -6.414 62 2HD LYS 7 1HD LYS 7 -3.696 -9.038 -6.590 63 1HE LYS 7 2HE LYS 7 -5.629 -9.002 -4.982 64 2HE LYS 7 1HE LYS 7 -5.546 -7.228 -4.970 65 1HZ LYS 7 3HZ LYS 7 -6.020 -8.886 -7.333 66 2HZ LYS 7 1HZ LYS 7 -7.147 -8.010 -6.509 67 3HZ LYS 7 2HZ LYS 7 -5.930 -7.238 -7.308 68 H ALA 8 H ALA 8 -1.292 -8.036 -0.208 69 HA ALA 8 HA ALA 8 -1.746 -9.689 1.343 70 1HB ALA 8 2HB ALA 8 -2.813 -7.615 2.105 71 2HB ALA 8 3HB ALA 8 -4.317 -8.050 1.258 72 3HB ALA 8 1HB ALA 8 -3.751 -9.016 2.639 73 H SER 9 H SER 9 -2.192 -10.891 -1.163 74 HA SER 9 HA SER 9 -3.795 -13.154 -0.280 75 1HB SER 9 1HB SER 9 -5.255 -13.087 -2.385 76 2HB SER 9 2HB SER 9 -5.645 -11.875 -1.157 77 HG SER 9 HG SER 9 -4.450 -10.355 -2.340 78 H LEU 10 H LEU 10 -1.076 -12.584 -0.865 79 HA LEU 10 HA LEU 10 -0.392 -14.666 -2.730 80 1HB LEU 10 2HB LEU 10 0.468 -11.763 -3.150 81 2HB LEU 10 1HB LEU 10 1.256 -13.121 -3.940 82 HG LEU 10 HG LEU 10 -1.652 -12.316 -4.377 83 1HD1 LEU 10 3HD1 LEU 10 -0.067 -10.630 -5.203 84 2HD1 LEU 10 1HD1 LEU 10 0.817 -11.884 -6.098 85 3HD1 LEU 10 2HD1 LEU 10 -0.857 -11.484 -6.540 86 1HD2 LEU 10 2HD2 LEU 10 0.140 -14.335 -5.819 87 2HD2 LEU 10 3HD2 LEU 10 -1.272 -14.737 -4.821 88 3HD2 LEU 10 1HD2 LEU 10 -1.489 -13.848 -6.330 89 HA PRO 11 HA PRO 11 2.772 -14.976 0.373 90 1HB PRO 11 1HB PRO 11 4.895 -14.822 -1.769 91 2HB PRO 11 2HB PRO 11 4.760 -15.998 -0.430 92 1HG PRO 11 1HG PRO 11 4.004 -16.738 -2.927 93 2HG PRO 11 2HG PRO 11 2.955 -17.146 -1.536 94 1HD PRO 11 1HD PRO 11 2.666 -14.843 -3.475 95 2HD PRO 11 2HD PRO 11 1.418 -15.987 -2.895 96 NH1 ARG 12 NH1 ARG 12 8.142 -11.989 5.973 97 NH2 ARG 12 NH2 ARG 12 7.533 -9.797 6.405 98 H ARG 12 H ARG 12 4.413 -13.674 1.520 99 HA ARG 12 HA ARG 12 3.951 -10.898 1.159 100 1HB ARG 12 1HB ARG 12 5.415 -10.524 2.973 101 2HB ARG 12 2HB ARG 12 4.429 -11.935 3.304 102 1HG ARG 12 2HG ARG 12 6.337 -12.900 3.980 103 2HG ARG 12 1HG ARG 12 6.654 -13.174 2.269 104 1HD ARG 12 1HD ARG 12 8.637 -12.181 3.317 105 2HD ARG 12 2HD ARG 12 7.944 -11.014 2.207 106 HE ARG 12 HE ARG 12 7.369 -9.616 3.933 107 1HH1 ARG 12 1HH1 ARG 12 8.300 -12.731 5.308 108 2HH1 ARG 12 2HH1 ARG 12 8.243 -12.177 6.959 109 1HH2 ARG 12 2HH2 ARG 12 7.207 -8.892 6.079 110 2HH2 ARG 12 1HH2 ARG 12 7.629 -9.953 7.397 111 H ALA 13 H ALA 13 4.724 -9.579 -0.331 112 HA ALA 13 HA ALA 13 7.511 -9.828 -1.296 113 1HB ALA 13 1HB ALA 13 6.023 -10.996 -2.935 114 2HB ALA 13 3HB ALA 13 5.087 -9.496 -3.122 115 3HB ALA 13 2HB ALA 13 6.789 -9.542 -3.607 116 H THR 14 H THR 14 8.303 -7.880 -2.183 117 HA THR 14 HA THR 14 6.964 -5.395 -1.287 118 HB THR 14 HB THR 14 9.391 -4.627 -0.878 119 HG1 THR 14 HG1 THR 14 9.895 -7.408 -0.762 120 1HG2 THR 14 2HG2 THR 14 8.302 -6.875 0.882 121 2HG2 THR 14 3HG2 THR 14 9.619 -5.764 1.311 122 3HG2 THR 14 1HG2 THR 14 7.995 -5.132 1.054 123 H LYS 15 H LYS 15 8.159 -3.493 -2.298 124 HA LYS 15 HA LYS 15 9.109 -3.869 -5.046 125 1HB LYS 15 1HB LYS 15 7.572 -2.082 -5.856 126 2HB LYS 15 2HB LYS 15 6.755 -3.585 -5.451 127 1HG LYS 15 1HG LYS 15 6.217 -2.489 -3.153 128 2HG LYS 15 2HG LYS 15 6.794 -0.979 -3.849 129 1HD LYS 15 2HD LYS 15 4.559 -2.685 -5.059 130 2HD LYS 15 1HD LYS 15 4.285 -1.395 -3.888 131 1HE LYS 15 1HE LYS 15 5.277 0.252 -5.454 132 2HE LYS 15 2HE LYS 15 5.590 -1.036 -6.629 133 1HZ LYS 15 1HZ LYS 15 2.910 -0.334 -5.632 134 2HZ LYS 15 2HZ LYS 15 3.556 0.170 -7.066 135 3HZ LYS 15 3HZ LYS 15 3.278 -1.430 -6.799 136 H THR 16 H THR 16 10.456 -2.094 -5.691 137 HA THR 16 HA THR 16 11.607 -0.556 -3.504 138 HB THR 16 HB THR 16 12.996 0.187 -5.633 139 HG1 THR 16 HG1 THR 16 12.831 -1.381 -7.287 140 1HG2 THR 16 3HG2 THR 16 13.023 -2.694 -4.613 141 2HG2 THR 16 1HG2 THR 16 14.354 -1.889 -5.471 142 3HG2 THR 16 2HG2 THR 16 13.862 -1.317 -3.867 143 H CYS 17 H CYS 17 11.497 1.693 -3.338 144 HA CYS 17 HA CYS 17 9.765 3.194 -5.232 145 1HB CYS 17 1HB CYS 17 9.457 2.913 -2.216 146 2HB CYS 17 2HB CYS 17 8.775 4.264 -3.137 147 H VAL 18 H VAL 18 10.182 5.378 -5.310 148 HA VAL 18 HA VAL 18 12.860 6.195 -4.462 149 HB VAL 18 HB VAL 18 12.347 8.166 -5.831 150 1HG1 VAL 18 3HG1 VAL 18 13.434 6.148 -6.768 151 2HG1 VAL 18 2HG1 VAL 18 11.844 5.520 -7.255 152 3HG1 VAL 18 1HG1 VAL 18 12.478 7.008 -7.985 153 1HG2 VAL 18 3HG2 VAL 18 9.695 6.839 -6.540 154 2HG2 VAL 18 1HG2 VAL 18 9.925 8.415 -5.743 155 3HG2 VAL 18 2HG2 VAL 18 10.450 8.181 -7.402 156 H GLU 19 H GLU 19 9.480 7.327 -3.970 157 HA GLU 19 HA GLU 19 10.203 9.464 -2.264 158 1HB GLU 19 1HB GLU 19 7.642 7.965 -2.862 159 2HB GLU 19 2HB GLU 19 7.657 8.875 -1.382 160 1HG GLU 19 1HG GLU 19 8.446 10.133 -4.020 161 2HG GLU 19 2HG GLU 19 6.822 10.206 -3.324 162 H ASN 20 H ASN 20 9.734 9.771 -0.070 163 HA ASN 20 HA ASN 20 10.947 7.774 1.654 164 1HB ASN 20 1HB ASN 20 11.283 10.128 2.122 165 2HB ASN 20 2HB ASN 20 9.539 10.434 2.129 166 1HD2 ASN 20 1HD2 ASN 20 9.294 9.837 5.587 167 2HD2 ASN 20 2HD2 ASN 20 8.667 10.651 4.166 168 H THR 21 H THR 21 7.632 8.536 0.663 169 HA THR 21 HA THR 21 6.531 7.017 2.942 170 HB THR 21 HB THR 21 4.394 8.114 1.950 171 HG1 THR 21 HG1 THR 21 4.989 10.098 0.846 172 1HG2 THR 21 2HG2 THR 21 6.590 9.811 3.222 173 2HG2 THR 21 1HG2 THR 21 4.865 10.235 3.162 174 3HG2 THR 21 3HG2 THR 21 5.391 8.814 4.077 175 H CYS 22 H CYS 22 5.005 5.463 2.652 176 HA CYS 22 HA CYS 22 4.745 4.225 -0.042 177 1HB CYS 22 1HB CYS 22 4.489 2.688 2.567 178 2HB CYS 22 2HB CYS 22 4.526 2.086 0.928 179 OH TYR 23 OH TYR 23 -0.415 2.979 -5.632 180 H TYR 23 H TYR 23 2.630 3.010 -0.095 181 HA TYR 23 HA TYR 23 0.611 3.948 1.872 182 1HB TYR 23 1HB TYR 23 -1.015 4.429 0.199 183 2HB TYR 23 2HB TYR 23 0.435 5.361 -0.069 184 HD1 TYR 23 HD1 TYR 23 -1.612 2.479 -1.276 185 HD2 TYR 23 HD2 TYR 23 1.702 5.070 -2.201 186 HE1 TYR 23 HE1 TYR 23 -1.832 1.899 -3.661 187 HE2 TYR 23 HE2 TYR 23 1.374 4.598 -4.618 188 HH TYR 23 HH TYR 23 -1.179 2.427 -5.842 189 H LYS 24 H LYS 24 -1.235 2.755 1.784 190 HA LYS 24 HA LYS 24 -1.232 0.242 0.276 191 1HB LYS 24 2HB LYS 24 -2.127 -1.003 2.301 192 2HB LYS 24 1HB LYS 24 -0.398 -0.627 2.314 193 1HG LYS 24 2HG LYS 24 -0.782 1.257 3.846 194 2HG LYS 24 1HG LYS 24 -2.530 0.917 3.801 195 1HD LYS 24 2HD LYS 24 -2.268 -1.199 4.868 196 2HD LYS 24 1HD LYS 24 -0.515 -1.203 4.643 197 1HE LYS 24 2HE LYS 24 -0.242 0.636 6.226 198 2HE LYS 24 1HE LYS 24 -2.001 0.776 6.429 199 1HZ LYS 24 3HZ LYS 24 -0.476 -1.654 7.034 200 2HZ LYS 24 1HZ LYS 24 -0.889 -0.512 8.161 201 3HZ LYS 24 2HZ LYS 24 -2.055 -1.365 7.364 202 H MET 25 H MET 25 -3.009 -0.043 -0.719 203 HA MET 25 HA MET 25 -5.254 1.848 -0.334 204 1HB MET 25 1HB MET 25 -4.009 1.944 -2.428 205 2HB MET 25 2HB MET 25 -4.396 0.240 -2.644 206 1HG MET 25 1HG MET 25 -6.825 0.797 -2.663 207 2HG MET 25 2HG MET 25 -6.412 2.509 -2.534 208 1HE MET 25 1HE MET 25 -4.070 2.989 -4.538 209 2HE MET 25 2HE MET 25 -4.933 3.253 -6.067 210 3HE MET 25 3HE MET 25 -5.568 3.958 -4.564 211 H PHE 26 H PHE 26 -7.000 1.032 0.636 212 HA PHE 26 HA PHE 26 -7.707 -1.864 0.340 213 1HB PHE 26 1HB PHE 26 -8.906 -1.587 2.495 214 2HB PHE 26 2HB PHE 26 -7.171 -1.366 2.638 215 HD1 PHE 26 HD2 PHE 26 -6.183 0.852 3.103 216 HD2 PHE 26 HD1 PHE 26 -10.454 0.364 2.761 217 HE1 PHE 26 HE2 PHE 26 -6.546 3.036 4.200 218 HE2 PHE 26 HE1 PHE 26 -10.797 2.432 4.043 219 HZ PHE 26 HZ PHE 26 -8.828 3.778 4.803 220 H ILE 27 H ILE 27 -10.247 -2.037 0.703 221 HA ILE 27 HA ILE 27 -11.449 -0.135 -1.267 222 HB ILE 27 HB ILE 27 -12.409 -2.879 -0.429 223 1HG1 ILE 27 2HG1 ILE 27 -11.013 -2.001 -2.997 224 2HG1 ILE 27 1HG1 ILE 27 -10.209 -2.870 -1.688 225 1HG2 ILE 27 1HG2 ILE 27 -14.202 -1.337 -1.265 226 2HG2 ILE 27 3HG2 ILE 27 -13.240 -1.033 -2.720 227 3HG2 ILE 27 2HG2 ILE 27 -13.915 -2.638 -2.400 228 1HD1 ILE 27 3HD1 ILE 27 -11.738 -4.784 -1.983 229 2HD1 ILE 27 2HD1 ILE 27 -12.460 -3.969 -3.397 230 3HD1 ILE 27 1HD1 ILE 27 -10.754 -4.428 -3.414 231 NH1 ARG 28 NH1 ARG 28 -17.939 3.316 -1.085 232 NH2 ARG 28 NH2 ARG 28 -18.792 4.823 0.445 233 H ARG 28 H ARG 28 -13.373 0.924 -0.703 234 HA ARG 28 HA ARG 28 -13.610 1.778 1.932 235 1HB ARG 28 2HB ARG 28 -15.540 1.745 -0.419 236 2HB ARG 28 1HB ARG 28 -16.005 2.438 1.141 237 1HG ARG 28 2HG ARG 28 -14.192 4.032 1.101 238 2HG ARG 28 1HG ARG 28 -13.505 3.306 -0.358 239 1HD ARG 28 2HD ARG 28 -14.701 5.353 -0.892 240 2HD ARG 28 1HD ARG 28 -15.477 3.974 -1.659 241 HE ARG 28 HE ARG 28 -16.440 5.589 0.656 242 1HH1 ARG 28 1HH1 ARG 28 -17.152 2.914 -1.569 243 2HH1 ARG 28 2HH1 ARG 28 -18.858 2.927 -1.236 244 1HH2 ARG 28 2HH2 ARG 28 -18.653 5.576 1.104 245 2HH2 ARG 28 1HH2 ARG 28 -19.719 4.442 0.325 246 H THR 29 H THR 29 -15.318 -0.922 0.397 247 HA THR 29 HA THR 29 -16.929 -1.542 2.752 248 HB THR 29 HB THR 29 -17.340 -3.630 1.308 249 HG1 THR 29 HG1 THR 29 -16.377 -3.712 -0.636 250 1HG2 THR 29 1HG2 THR 29 -18.876 -1.680 1.252 251 2HG2 THR 29 2HG2 THR 29 -17.866 -0.912 0.008 252 3HG2 THR 29 3HG2 THR 29 -18.721 -2.425 -0.351 253 H HIS 30 H HIS 30 -14.337 -3.119 0.928 254 HA HIS 30 HA HIS 30 -13.704 -4.944 3.170 255 1HB HIS 30 1HB HIS 30 -12.253 -4.851 0.514 256 2HB HIS 30 2HB HIS 30 -12.455 -6.195 1.633 257 HD1 HIS 30 HD1 HIS 30 -15.252 -6.758 2.010 258 HD2 HIS 30 HD2 HIS 30 -14.075 -4.851 -1.528 259 HE1 HIS 30 HE1 HIS 30 -17.234 -6.807 0.424 260 NH1 ARG 31 NH1 ARG 31 -13.753 2.502 4.512 261 NH2 ARG 31 NH2 ARG 31 -12.287 3.689 5.819 262 H ARG 31 H ARG 31 -13.284 -2.962 4.433 263 HA ARG 31 HA ARG 31 -10.980 -1.374 4.039 264 1HB ARG 31 1HB ARG 31 -12.342 -2.058 6.686 265 2HB ARG 31 2HB ARG 31 -11.326 -0.656 6.309 266 1HG ARG 31 2HG ARG 31 -13.020 -0.065 4.492 267 2HG ARG 31 1HG ARG 31 -14.081 -1.293 5.191 268 1HD ARG 31 1HD ARG 31 -14.850 0.662 6.175 269 2HD ARG 31 2HD ARG 31 -13.868 -0.096 7.426 270 HE ARG 31 HE ARG 31 -12.440 1.711 7.364 271 1HH1 ARG 31 2HH1 ARG 31 -14.315 1.678 4.315 272 2HH1 ARG 31 1HH1 ARG 31 -13.679 3.241 3.819 273 1HH2 ARG 31 2HH2 ARG 31 -11.730 3.801 6.653 274 2HH2 ARG 31 1HH2 ARG 31 -12.269 4.384 5.082 275 H GLU 32 H GLU 32 -11.491 -4.262 6.022 276 HA GLU 32 HA GLU 32 -8.715 -4.480 6.848 277 1HB GLU 32 2HB GLU 32 -9.529 -6.567 7.884 278 2HB GLU 32 1HB GLU 32 -10.477 -5.157 8.345 279 1HG GLU 32 2HG GLU 32 -12.301 -5.854 6.803 280 2HG GLU 32 1HG GLU 32 -11.322 -7.223 6.254 281 OH TYR 33 OH TYR 33 -6.463 -8.047 -2.577 282 H TYR 33 H TYR 33 -8.669 -4.308 4.081 283 HA TYR 33 HA TYR 33 -7.327 -6.771 3.379 284 1HB TYR 33 1HB TYR 33 -9.588 -7.460 2.786 285 2HB TYR 33 2HB TYR 33 -9.893 -5.912 1.989 286 HD1 TYR 33 HD2 TYR 33 -7.352 -8.707 1.829 287 HD2 TYR 33 HD1 TYR 33 -9.745 -5.852 -0.351 288 HE1 TYR 33 HE2 TYR 33 -6.110 -9.239 -0.239 289 HE2 TYR 33 HE1 TYR 33 -8.569 -6.477 -2.441 290 HH TYR 33 HH TYR 33 -5.575 -8.343 -2.339 291 H ILE 34 H ILE 34 -5.655 -6.225 2.031 292 HA ILE 34 HA ILE 34 -5.512 -3.403 1.093 293 HB ILE 34 HB ILE 34 -3.295 -5.471 1.321 294 1HG1 ILE 34 2HG1 ILE 34 -4.045 -5.129 3.570 295 2HG1 ILE 34 1HG1 ILE 34 -2.582 -4.186 3.333 296 1HG2 ILE 34 2HG2 ILE 34 -3.352 -2.461 0.841 297 2HG2 ILE 34 3HG2 ILE 34 -1.894 -3.398 1.235 298 3HG2 ILE 34 1HG2 ILE 34 -2.793 -3.732 -0.258 299 1HD1 ILE 34 1HD1 ILE 34 -4.023 -2.121 3.040 300 2HD1 ILE 34 3HD1 ILE 34 -5.440 -3.114 3.436 301 3HD1 ILE 34 2HD1 ILE 34 -4.157 -2.894 4.627 302 H SER 35 H SER 35 -6.153 -3.119 -0.915 303 HA SER 35 HA SER 35 -6.401 -5.328 -2.843 304 1HB SER 35 2HB SER 35 -7.659 -3.747 -4.129 305 2HB SER 35 1HB SER 35 -8.101 -3.554 -2.414 306 HG SER 35 HG SER 35 -6.677 -1.753 -2.331 307 H GLU 36 H GLU 36 -4.652 -2.324 -2.416 308 HA GLU 36 HA GLU 36 -2.520 -3.265 -4.307 309 1HB GLU 36 1HB GLU 36 -4.113 -1.980 -5.675 310 2HB GLU 36 2HB GLU 36 -4.048 -0.632 -4.555 311 1HG GLU 36 2HG GLU 36 -1.589 -0.342 -5.150 312 2HG GLU 36 1HG GLU 36 -1.823 -1.589 -6.389 313 NH1 ARG 37 NH2 ARG 37 0.971 -4.766 3.092 314 NH2 ARG 37 NH1 ARG 37 0.242 -6.558 1.856 315 H ARG 37 H ARG 37 -0.506 -1.932 -4.098 316 HA ARG 37 HA ARG 37 -0.311 -0.241 -1.716 317 1HB ARG 37 2HB ARG 37 1.341 -2.790 -2.143 318 2HB ARG 37 1HB ARG 37 1.848 -1.398 -1.133 319 1HG ARG 37 1HG ARG 37 -0.185 -1.538 0.111 320 2HG ARG 37 2HG ARG 37 -0.616 -3.074 -0.686 321 1HD ARG 37 2HD ARG 37 2.102 -2.981 0.516 322 2HD ARG 37 1HD ARG 37 0.808 -2.681 1.667 323 HE ARG 37 HE ARG 37 0.572 -5.071 -0.099 324 1HH1 ARG 37 2HH2 ARG 37 1.377 -3.843 3.154 325 2HH1 ARG 37 1HH2 ARG 37 0.798 -5.238 3.985 326 1HH2 ARG 37 1HH1 ARG 37 0.093 -6.972 0.945 327 2HH2 ARG 37 2HH1 ARG 37 0.207 -7.130 2.689 328 H GLY 38 H GLY 38 1.635 1.006 -1.714 329 1HA GLY 38 2HA GLY 38 3.470 0.828 -3.911 330 2HA GLY 38 1HA GLY 38 2.204 1.938 -4.416 331 H CYS 39 H CYS 39 4.024 3.301 -4.721 332 HA CYS 39 HA CYS 39 5.582 4.342 -2.485 333 1HB CYS 39 1HB CYS 39 5.570 5.168 -5.421 334 2HB CYS 39 2HB CYS 39 6.862 5.365 -4.247 335 H GLY 40 H GLY 40 5.642 6.555 -1.925 336 1HA GLY 40 1HA GLY 40 4.782 8.609 -1.456 337 2HA GLY 40 2HA GLY 40 4.885 8.815 -3.171 338 H CYS 41 H CYS 41 3.008 7.610 -0.914 339 HA CYS 41 HA CYS 41 0.526 6.892 -1.530 340 1HB CYS 41 1HB CYS 41 1.380 7.305 0.760 341 2HB CYS 41 2HB CYS 41 1.031 9.017 0.551 342 HA PRO 42 HA PRO 42 -1.226 10.470 -3.728 343 1HB PRO 42 2HB PRO 42 -2.199 9.249 -5.927 344 2HB PRO 42 1HB PRO 42 -0.444 9.473 -5.704 345 1HG PRO 42 1HG PRO 42 -2.107 6.997 -5.130 346 2HG PRO 42 2HG PRO 42 -0.563 7.085 -6.025 347 1HD PRO 42 1HD PRO 42 -0.822 6.466 -3.319 348 2HD PRO 42 2HD PRO 42 0.665 7.160 -4.040 349 H THR 43 H THR 43 -3.554 10.741 -4.580 350 HA THR 43 HA THR 43 -5.427 9.871 -2.592 351 HB THR 43 HB THR 43 -6.203 10.929 -5.316 352 HG1 THR 43 HG1 THR 43 -4.930 12.395 -3.237 353 1HG2 THR 43 3HG2 THR 43 -7.140 11.581 -2.479 354 2HG2 THR 43 2HG2 THR 43 -7.774 12.301 -3.973 355 3HG2 THR 43 1HG2 THR 43 -8.001 10.572 -3.666 356 H ALA 44 H ALA 44 -7.273 8.485 -2.977 357 HA ALA 44 HA ALA 44 -6.705 6.251 -4.873 358 1HB ALA 44 2HB ALA 44 -8.477 6.414 -2.407 359 2HB ALA 44 3HB ALA 44 -8.251 4.985 -3.438 360 3HB ALA 44 1HB ALA 44 -6.885 5.624 -2.521 361 H MET 45 H MET 45 -8.259 5.587 -6.341 362 HA MET 45 HA MET 45 -10.326 7.493 -7.117 363 1HB MET 45 1HB MET 45 -9.626 4.702 -8.159 364 2HB MET 45 2HB MET 45 -10.701 5.880 -8.908 365 1HG MET 45 2HG MET 45 -8.725 6.105 -10.129 366 2HG MET 45 1HG MET 45 -8.709 7.476 -9.025 367 1HE MET 45 2HE MET 45 -7.139 4.137 -10.154 368 2HE MET 45 1HE MET 45 -5.883 3.822 -8.936 369 3HE MET 45 3HE MET 45 -7.594 3.615 -8.511 370 CH2 TRP 46 CH2 TRP 46 -19.990 4.680 -5.076 371 H TRP 46 H TRP 46 -12.680 6.802 -7.148 372 HA TRP 46 HA TRP 46 -13.350 5.410 -4.721 373 1HB TRP 46 2HB TRP 46 -14.691 7.275 -6.087 374 2HB TRP 46 1HB TRP 46 -15.231 5.863 -6.922 375 HD1 TRP 46 HD1 TRP 46 -14.927 6.567 -3.276 376 HE1 TRP 46 HE1 TRP 46 -17.201 5.912 -2.074 377 HE3 TRP 46 HE3 TRP 46 -17.497 5.365 -7.345 378 HZ2 TRP 46 HZ2 TRP 46 -19.789 4.963 -2.939 379 HZ3 TRP 46 HZ3 TRP 46 -19.892 4.544 -7.230 380 HH2 TRP 46 HH2 TRP 46 -21.015 4.343 -5.022 381 HA PRO 47 HA PRO 47 -14.659 3.934 -3.800 382 1HB PRO 47 1HB PRO 47 -15.712 1.623 -3.049 383 2HB PRO 47 2HB PRO 47 -16.421 2.491 -4.435 384 1HG PRO 47 2HG PRO 47 -14.404 0.218 -4.541 385 2HG PRO 47 1HG PRO 47 -15.962 0.333 -5.408 386 1HD PRO 47 1HD PRO 47 -13.509 1.123 -6.488 387 2HD PRO 47 2HD PRO 47 -15.074 1.828 -6.972 388 OH TYR 48 OH TYR 48 -10.402 -1.957 -7.350 389 H TYR 48 H TYR 48 -11.825 3.704 -4.274 390 HA TYR 48 HA TYR 48 -10.909 1.758 -2.219 391 1HB TYR 48 1HB TYR 48 -9.384 3.279 -4.367 392 2HB TYR 48 2HB TYR 48 -8.704 2.195 -3.168 393 HD1 TYR 48 HD2 TYR 48 -9.030 -0.253 -3.366 394 HD2 TYR 48 HD1 TYR 48 -10.679 2.455 -6.289 395 HE1 TYR 48 HE2 TYR 48 -9.347 -2.136 -4.953 396 HE2 TYR 48 HE1 TYR 48 -11.031 0.576 -7.842 397 HH TYR 48 HH TYR 48 -10.778 -1.691 -8.192 398 H GLN 49 H GLN 49 -9.208 2.510 -0.747 399 HA GLN 49 HA GLN 49 -9.017 5.424 -0.285 400 1HB GLN 49 2HB GLN 49 -10.015 3.298 1.498 401 2HB GLN 49 1HB GLN 49 -9.085 4.640 2.163 402 1HG GLN 49 1HG GLN 49 -10.763 6.197 0.980 403 2HG GLN 49 2HG GLN 49 -11.738 4.753 0.679 404 1HE2 GLN 49 2HE2 GLN 49 -11.401 6.370 4.483 405 2HE2 GLN 49 1HE2 GLN 49 -10.231 6.757 3.242 406 H THR 50 H THR 50 -6.879 5.903 -0.250 407 HA THR 50 HA THR 50 -4.844 3.866 0.356 408 HB THR 50 HB THR 50 -3.444 6.086 -0.183 409 HG1 THR 50 HG1 THR 50 -4.526 7.380 -1.632 410 1HG2 THR 50 2HG2 THR 50 -4.876 4.421 -2.284 411 2HG2 THR 50 1HG2 THR 50 -3.413 5.403 -2.547 412 3HG2 THR 50 3HG2 THR 50 -3.365 4.010 -1.452 413 H GLU 51 H GLU 51 -3.893 3.700 2.317 414 HA GLU 51 HA GLU 51 -3.895 6.125 4.076 415 1HB GLU 51 2HB GLU 51 -3.691 4.726 6.025 416 2HB GLU 51 1HB GLU 51 -5.226 4.506 5.189 417 1HG GLU 51 2HG GLU 51 -4.181 2.520 4.043 418 2HG GLU 51 1HG GLU 51 -2.792 2.683 5.144 419 H CYS 52 H CYS 52 -1.892 6.861 4.562 420 HA CYS 52 HA CYS 52 0.329 5.677 3.078 421 1HB CYS 52 2HB CYS 52 0.310 8.271 4.577 422 2HB CYS 52 1HB CYS 52 1.236 7.842 3.148 423 H CYS 53 H CYS 53 2.533 5.819 4.038 424 HA CYS 53 HA CYS 53 2.889 6.345 6.864 425 1HB CYS 53 1HB CYS 53 3.781 4.169 7.483 426 2HB CYS 53 2HB CYS 53 2.094 4.008 6.979 427 H LYS 54 H LYS 54 5.385 5.926 7.356 428 HA LYS 54 HA LYS 54 7.035 6.397 4.953 429 1HB LYS 54 1HB LYS 54 8.339 7.853 6.544 430 2HB LYS 54 2HB LYS 54 6.838 8.554 5.923 431 1HG LYS 54 1HG LYS 54 5.707 8.089 8.052 432 2HG LYS 54 2HG LYS 54 7.145 7.232 8.656 433 1HD LYS 54 1HD LYS 54 8.455 9.334 8.529 434 2HD LYS 54 2HD LYS 54 7.058 10.173 7.834 435 1HE LYS 54 1HE LYS 54 7.242 10.703 10.207 436 2HE LYS 54 2HE LYS 54 5.763 9.776 9.915 437 1HZ LYS 54 1HZ LYS 54 8.294 8.684 10.940 438 2HZ LYS 54 2HZ LYS 54 6.956 9.020 11.840 439 3HZ LYS 54 3HZ LYS 54 6.904 7.830 10.703 440 H GLY 55 H GLY 55 9.067 5.479 5.047 441 1HA GLY 55 2HA GLY 55 10.884 4.474 6.210 442 2HA GLY 55 1HA GLY 55 9.811 3.799 7.430 443 H ASP 56 H ASP 56 11.757 2.329 5.944 444 HA ASP 56 HA ASP 56 10.768 1.037 3.676 445 1HB ASP 56 1HB ASP 56 12.488 -0.090 5.758 446 2HB ASP 56 2HB ASP 56 12.308 -0.759 4.176 447 NH1 ARG 57 NH2 ARG 57 9.338 -7.674 4.725 448 NH2 ARG 57 NH1 ARG 57 11.055 -7.274 3.231 449 H ARG 57 H ARG 57 9.725 -0.700 3.342 450 HA ARG 57 HA ARG 57 7.593 -1.580 3.411 451 1HB ARG 57 2HB ARG 57 7.871 -3.745 4.253 452 2HB ARG 57 1HB ARG 57 9.366 -3.257 3.514 453 1HG ARG 57 1HG ARG 57 10.495 -2.996 5.614 454 2HG ARG 57 2HG ARG 57 8.986 -3.096 6.534 455 1HD ARG 57 1HD ARG 57 10.224 -5.212 6.667 456 2HD ARG 57 2HD ARG 57 8.650 -5.388 5.884 457 HE ARG 57 HE ARG 57 11.004 -4.962 4.144 458 1HH1 ARG 57 2HH2 ARG 57 8.643 -7.332 5.377 459 2HH1 ARG 57 1HH2 ARG 57 9.315 -8.648 4.459 460 1HH2 ARG 57 1HH1 ARG 57 11.745 -6.652 2.836 461 2HH2 ARG 57 2HH1 ARG 57 11.011 -8.230 2.912 462 H CYS 58 H CYS 58 7.510 0.711 5.236 463 HA CYS 58 HA CYS 58 6.364 0.006 7.700 464 1HB CYS 58 1HB CYS 58 5.517 2.279 7.714 465 2HB CYS 58 2HB CYS 58 7.171 2.229 7.105 466 H ASN 59 H ASN 59 4.927 -0.002 4.490 467 HA ASN 59 HA ASN 59 2.150 0.171 5.415 468 1HB ASN 59 2HB ASN 59 1.640 -0.049 3.029 469 2HB ASN 59 1HB ASN 59 2.764 1.267 3.324 470 1HD2 ASN 59 2HD2 ASN 59 3.779 -0.839 0.315 471 2HD2 ASN 59 1HD2 ASN 59 2.494 0.252 0.792 472 H LYS 60 H LYS 60 2.913 -1.706 6.845 473 HA LYS 60 HA LYS 60 3.065 -4.398 5.888 474 1HB LYS 60 2HB LYS 60 2.062 -3.228 8.510 475 2HB LYS 60 1HB LYS 60 2.389 -4.949 8.228 476 1HG LYS 60 1HG LYS 60 4.723 -4.607 8.024 477 2HG LYS 60 2HG LYS 60 4.562 -2.861 7.800 478 1HD LYS 60 1HD LYS 60 5.410 -3.330 10.021 479 2HD LYS 60 2HD LYS 60 3.805 -2.589 10.121 480 1HE LYS 60 1HE LYS 60 2.780 -4.801 10.547 481 2HE LYS 60 2HE LYS 60 4.355 -5.592 10.339 482 1HZ LYS 60 1HZ LYS 60 3.669 -3.642 12.425 483 2HZ LYS 60 2HZ LYS 60 3.802 -5.271 12.627 484 3HZ LYS 60 3HZ LYS 60 5.133 -4.379 12.244 Start of MODEL 15 Raw file had 484 H/Q atoms Start of MODEL 15 1 NH1 ARG 1 NH2 ARG 1 13.668 5.198 4.723 2 NH2 ARG 1 NH1 ARG 1 12.936 7.328 4.222 3 1H ARG 1 3H ARG 1 10.812 3.800 -1.408 4 2H ARG 1 2H ARG 1 11.363 5.223 -0.781 5 3H ARG 1 1H ARG 1 12.411 4.062 -1.354 6 HA ARG 1 HA ARG 1 12.409 3.725 0.960 7 1HB ARG 1 1HB ARG 1 10.417 5.265 1.241 8 2HB ARG 1 2HB ARG 1 9.364 3.966 0.700 9 1HG ARG 1 1HG ARG 1 9.274 4.245 3.115 10 2HG ARG 1 2HG ARG 1 9.942 2.660 2.722 11 1HD ARG 1 1HD ARG 1 11.231 3.741 4.521 12 2HD ARG 1 2HD ARG 1 12.234 3.529 3.113 13 HE ARG 1 HE ARG 1 10.960 6.141 3.210 14 1HH1 ARG 1 2HH2 ARG 1 13.523 4.192 4.774 15 2HH1 ARG 1 1HH2 ARG 1 14.491 5.579 5.163 16 1HH2 ARG 1 1HH1 ARG 1 12.216 7.958 3.885 17 2HH2 ARG 1 2HH1 ARG 1 13.750 7.723 4.666 18 H ILE 2 H ILE 2 12.069 1.447 1.979 19 HA ILE 2 HA ILE 2 11.619 -0.564 -0.111 20 HB ILE 2 HB ILE 2 12.188 -0.729 2.878 21 1HG1 ILE 2 1HG1 ILE 2 14.031 0.097 1.273 22 2HG1 ILE 2 2HG1 ILE 2 14.411 -1.238 2.363 23 1HG2 ILE 2 1HG2 ILE 2 11.850 -2.975 0.860 24 2HG2 ILE 2 3HG2 ILE 2 12.686 -3.158 2.421 25 3HG2 ILE 2 2HG2 ILE 2 10.981 -2.738 2.385 26 1HD1 ILE 2 1HD1 ILE 2 13.512 -1.669 -0.504 27 2HD1 ILE 2 3HD1 ILE 2 15.212 -1.547 0.012 28 3HD1 ILE 2 2HD1 ILE 2 14.197 -2.870 0.609 29 H CYS 3 H CYS 3 9.439 -1.058 -0.657 30 HA CYS 3 HA CYS 3 7.660 -1.635 1.663 31 1HB CYS 3 1HB CYS 3 6.927 0.401 -0.471 32 2HB CYS 3 2HB CYS 3 5.790 -0.329 0.642 33 OH TYR 4 OH TYR 4 7.274 -8.415 4.662 34 H TYR 4 H TYR 4 5.918 -2.924 1.216 35 HA TYR 4 HA TYR 4 6.454 -4.974 -0.776 36 1HB TYR 4 2HB TYR 4 4.346 -4.518 1.342 37 2HB TYR 4 1HB TYR 4 4.264 -5.853 0.200 38 HD1 TYR 4 HD1 TYR 4 6.731 -4.404 2.688 39 HD2 TYR 4 HD2 TYR 4 5.139 -7.898 0.728 40 HE1 TYR 4 HE1 TYR 4 7.802 -5.853 4.380 41 HE2 TYR 4 HE2 TYR 4 6.248 -9.336 2.418 42 HH TYR 4 HH TYR 4 6.542 -8.235 5.279 43 H SER 5 H SER 5 6.349 -3.524 -2.538 44 HA SER 5 HA SER 5 3.768 -2.372 -3.324 45 1HB SER 5 1HB SER 5 6.364 -2.694 -4.859 46 2HB SER 5 2HB SER 5 5.001 -1.646 -5.313 47 HG SER 5 HG SER 5 6.501 -1.488 -2.877 48 H HIS 6 H HIS 6 2.315 -4.090 -3.376 49 HA HIS 6 HA HIS 6 2.299 -5.620 -5.836 50 1HB HIS 6 1HB HIS 6 2.342 -7.811 -4.911 51 2HB HIS 6 2HB HIS 6 3.764 -7.007 -4.257 52 HD1 HIS 6 HD1 HIS 6 2.693 -5.603 -1.746 53 HD2 HIS 6 HD2 HIS 6 1.389 -9.418 -2.914 54 HE1 HIS 6 HE1 HIS 6 1.796 -6.793 0.310 55 H LYS 7 H LYS 7 0.306 -6.968 -5.943 56 HA LYS 7 HA LYS 7 -1.996 -5.625 -4.661 57 1HB LYS 7 2HB LYS 7 -3.367 -6.839 -6.155 58 2HB LYS 7 1HB LYS 7 -2.070 -6.072 -7.082 59 1HG LYS 7 1HG LYS 7 -0.856 -8.334 -7.033 60 2HG LYS 7 2HG LYS 7 -2.326 -9.016 -6.328 61 1HD LYS 7 2HD LYS 7 -2.122 -7.612 -9.034 62 2HD LYS 7 1HD LYS 7 -2.190 -9.361 -8.770 63 1HE LYS 7 1HE LYS 7 -4.449 -9.067 -7.680 64 2HE LYS 7 2HE LYS 7 -4.396 -7.348 -8.121 65 1HZ LYS 7 1HZ LYS 7 -4.238 -7.991 -10.403 66 2HZ LYS 7 3HZ LYS 7 -4.297 -9.590 -10.004 67 3HZ LYS 7 2HZ LYS 7 -5.595 -8.618 -9.710 68 H ALA 8 H ALA 8 -3.440 -6.920 -3.299 69 HA ALA 8 HA ALA 8 -1.944 -8.660 -1.547 70 1HB ALA 8 2HB ALA 8 -3.591 -6.986 -0.774 71 2HB ALA 8 1HB ALA 8 -4.895 -7.919 -1.547 72 3HB ALA 8 3HB ALA 8 -3.978 -8.614 -0.196 73 H SER 9 H SER 9 -1.781 -10.114 -3.849 74 HA SER 9 HA SER 9 -3.691 -12.364 -3.441 75 1HB SER 9 2HB SER 9 -2.667 -13.127 -5.668 76 2HB SER 9 1HB SER 9 -3.622 -11.635 -5.754 77 HG SER 9 HG SER 9 -1.508 -11.526 -6.788 78 H LEU 10 H LEU 10 -1.341 -11.451 -1.903 79 HA LEU 10 HA LEU 10 0.252 -12.257 -0.553 80 1HB LEU 10 1HB LEU 10 -0.744 -15.027 -1.320 81 2HB LEU 10 2HB LEU 10 0.098 -14.561 0.157 82 HG LEU 10 HG LEU 10 -2.720 -13.693 -0.625 83 1HD1 LEU 10 3HD1 LEU 10 -2.510 -16.052 0.057 84 2HD1 LEU 10 2HD1 LEU 10 -1.695 -15.553 1.555 85 3HD1 LEU 10 1HD1 LEU 10 -3.388 -15.098 1.266 86 1HD2 LEU 10 1HD2 LEU 10 -1.058 -13.060 1.858 87 2HD2 LEU 10 2HD2 LEU 10 -1.664 -11.887 0.665 88 3HD2 LEU 10 3HD2 LEU 10 -2.801 -12.763 1.693 89 HA PRO 11 HA PRO 11 3.227 -14.195 -3.689 90 1HB PRO 11 2HB PRO 11 4.156 -12.180 -5.332 91 2HB PRO 11 1HB PRO 11 2.881 -13.339 -5.780 92 1HG PRO 11 1HG PRO 11 2.493 -10.527 -4.761 93 2HG PRO 11 2HG PRO 11 1.684 -11.339 -6.121 94 1HD PRO 11 1HD PRO 11 0.465 -11.200 -3.730 95 2HD PRO 11 2HD PRO 11 0.391 -12.679 -4.734 96 NH1 ARG 12 NH2 ARG 12 4.409 -9.936 4.352 97 NH2 ARG 12 NH1 ARG 12 2.466 -8.761 4.031 98 H ARG 12 H ARG 12 3.085 -11.103 -2.988 99 HA ARG 12 HA ARG 12 4.040 -9.492 -1.534 100 1HB ARG 12 2HB ARG 12 5.749 -11.689 -0.319 101 2HB ARG 12 1HB ARG 12 5.333 -10.092 0.310 102 1HG ARG 12 2HG ARG 12 2.824 -11.006 0.082 103 2HG ARG 12 1HG ARG 12 3.639 -12.575 0.074 104 1HD ARG 12 1HD ARG 12 3.360 -12.429 2.321 105 2HD ARG 12 2HD ARG 12 4.860 -11.501 2.238 106 HE ARG 12 HE ARG 12 2.215 -10.130 1.988 107 1HH1 ARG 12 2HH2 ARG 12 5.066 -10.656 4.106 108 2HH1 ARG 12 1HH2 ARG 12 4.645 -9.257 5.082 109 1HH2 ARG 12 2HH1 ARG 12 1.644 -8.539 3.491 110 2HH2 ARG 12 1HH1 ARG 12 2.733 -8.130 4.794 111 H ALA 13 H ALA 13 5.238 -8.079 -2.616 112 HA ALA 13 HA ALA 13 7.974 -8.840 -3.572 113 1HB ALA 13 2HB ALA 13 6.418 -8.965 -5.478 114 2HB ALA 13 3HB ALA 13 5.890 -7.296 -5.168 115 3HB ALA 13 1HB ALA 13 7.567 -7.623 -5.641 116 H THR 14 H THR 14 9.193 -7.669 -2.121 117 HA THR 14 HA THR 14 8.450 -4.939 -1.343 118 HB THR 14 HB THR 14 10.609 -5.091 -0.185 119 HG1 THR 14 HG1 THR 14 11.413 -6.745 -1.696 120 1HG2 THR 14 3HG2 THR 14 8.642 -7.352 0.395 121 2HG2 THR 14 2HG2 THR 14 9.899 -6.772 1.511 122 3HG2 THR 14 1HG2 THR 14 8.604 -5.675 0.997 123 H LYS 15 H LYS 15 9.002 -3.195 -2.557 124 HA LYS 15 HA LYS 15 11.450 -3.488 -4.299 125 1HB LYS 15 1HB LYS 15 10.560 -2.382 -6.039 126 2HB LYS 15 2HB LYS 15 9.153 -3.296 -5.495 127 1HG LYS 15 1HG LYS 15 8.379 -1.206 -4.296 128 2HG LYS 15 2HG LYS 15 9.757 -0.336 -4.984 129 1HD LYS 15 2HD LYS 15 9.024 -0.889 -7.276 130 2HD LYS 15 1HD LYS 15 7.603 -1.726 -6.632 131 1HE LYS 15 1HE LYS 15 6.867 0.420 -5.554 132 2HE LYS 15 2HE LYS 15 8.282 1.228 -6.253 133 1HZ LYS 15 2HZ LYS 15 7.446 0.693 -8.419 134 2HZ LYS 15 3HZ LYS 15 6.127 -0.058 -7.774 135 3HZ LYS 15 1HZ LYS 15 6.337 1.564 -7.568 136 H THR 16 H THR 16 12.798 -1.755 -4.454 137 HA THR 16 HA THR 16 12.863 0.044 -2.098 138 HB THR 16 HB THR 16 14.949 -0.408 -4.285 139 HG1 THR 16 HG1 THR 16 14.453 -2.320 -3.069 140 1HG2 THR 16 2HG2 THR 16 15.122 0.743 -1.455 141 2HG2 THR 16 3HG2 THR 16 16.484 0.497 -2.566 142 3HG2 THR 16 1HG2 THR 16 15.228 1.685 -2.961 143 H CYS 17 H CYS 17 11.149 1.482 -2.732 144 HA CYS 17 HA CYS 17 11.195 2.648 -5.435 145 1HB CYS 17 1HB CYS 17 9.158 2.274 -3.791 146 2HB CYS 17 2HB CYS 17 9.694 3.887 -3.260 147 H VAL 18 H VAL 18 11.034 5.123 -5.520 148 HA VAL 18 HA VAL 18 13.470 6.299 -4.364 149 HB VAL 18 HB VAL 18 12.809 8.182 -5.882 150 1HG1 VAL 18 1HG1 VAL 18 14.507 6.490 -6.486 151 2HG1 VAL 18 2HG1 VAL 18 13.241 5.456 -7.181 152 3HG1 VAL 18 3HG1 VAL 18 13.612 7.029 -7.916 153 1HG2 VAL 18 3HG2 VAL 18 10.400 7.747 -6.228 154 2HG2 VAL 18 2HG2 VAL 18 11.298 7.821 -7.739 155 3HG2 VAL 18 1HG2 VAL 18 10.795 6.252 -7.109 156 H GLU 19 H GLU 19 9.935 6.782 -4.366 157 HA GLU 19 HA GLU 19 9.870 9.164 -2.887 158 1HB GLU 19 1HB GLU 19 7.859 6.866 -2.691 159 2HB GLU 19 2HB GLU 19 7.561 8.538 -2.230 160 1HG GLU 19 1HG GLU 19 8.148 7.548 -5.012 161 2HG GLU 19 2HG GLU 19 6.586 8.105 -4.441 162 H ASN 20 H ASN 20 9.521 9.664 -0.769 163 HA ASN 20 HA ASN 20 10.832 8.004 1.227 164 1HB ASN 20 2HB ASN 20 11.049 10.437 1.297 165 2HB ASN 20 1HB ASN 20 9.289 10.636 1.335 166 1HD2 ASN 20 1HD2 ASN 20 9.176 10.417 4.854 167 2HD2 ASN 20 2HD2 ASN 20 8.401 10.951 3.374 168 H THR 21 H THR 21 7.516 8.394 0.009 169 HA THR 21 HA THR 21 6.393 7.298 2.541 170 HB THR 21 HB THR 21 4.266 8.210 1.320 171 HG1 THR 21 HG1 THR 21 4.863 9.986 -0.069 172 1HG2 THR 21 1HG2 THR 21 6.405 10.111 2.376 173 2HG2 THR 21 3HG2 THR 21 4.675 10.482 2.215 174 3HG2 THR 21 2HG2 THR 21 5.205 9.230 3.349 175 H CYS 22 H CYS 22 4.445 5.931 2.122 176 HA CYS 22 HA CYS 22 4.358 4.342 -0.332 177 1HB CYS 22 2HB CYS 22 4.915 3.138 2.401 178 2HB CYS 22 1HB CYS 22 4.449 2.218 0.989 179 OH TYR 23 OH TYR 23 -0.239 1.543 -5.216 180 H TYR 23 H TYR 23 2.468 2.613 0.247 181 HA TYR 23 HA TYR 23 0.429 3.819 2.027 182 1HB TYR 23 1HB TYR 23 -1.247 3.916 0.289 183 2HB TYR 23 2HB TYR 23 0.127 4.912 -0.104 184 HD1 TYR 23 HD2 TYR 23 -1.703 1.773 -0.922 185 HD2 TYR 23 HD1 TYR 23 1.559 4.317 -2.097 186 HE1 TYR 23 HE2 TYR 23 -1.709 0.736 -3.162 187 HE2 TYR 23 HE1 TYR 23 1.411 3.410 -4.407 188 HH TYR 23 HH TYR 23 -0.936 0.890 -5.362 189 H LYS 24 H LYS 24 -1.449 2.552 2.057 190 HA LYS 24 HA LYS 24 -1.297 -0.148 0.931 191 1HB LYS 24 1HB LYS 24 -2.180 -1.241 2.947 192 2HB LYS 24 2HB LYS 24 -0.551 -0.568 3.150 193 1HG LYS 24 1HG LYS 24 -1.512 1.379 4.357 194 2HG LYS 24 2HG LYS 24 -3.128 0.667 4.127 195 1HD LYS 24 2HD LYS 24 -2.378 0.165 6.353 196 2HD LYS 24 1HD LYS 24 -2.465 -1.331 5.412 197 1HE LYS 24 1HE LYS 24 -0.016 -1.358 5.147 198 2HE LYS 24 2HE LYS 24 0.116 0.250 5.889 199 1HZ LYS 24 1HZ LYS 24 -0.699 -0.707 7.916 200 2HZ LYS 24 3HZ LYS 24 -0.823 -2.194 7.215 201 3HZ LYS 24 2HZ LYS 24 0.656 -1.491 7.403 202 H MET 25 H MET 25 -2.969 -0.611 -0.130 203 HA MET 25 HA MET 25 -5.201 1.354 -0.305 204 1HB MET 25 2HB MET 25 -3.864 1.049 -2.291 205 2HB MET 25 1HB MET 25 -4.218 -0.675 -2.201 206 1HG MET 25 2HG MET 25 -6.657 -0.161 -2.500 207 2HG MET 25 1HG MET 25 -6.244 1.548 -2.662 208 1HE MET 25 3HE MET 25 -5.166 2.592 -4.811 209 2HE MET 25 1HE MET 25 -3.707 1.601 -4.548 210 3HE MET 25 2HE MET 25 -4.486 1.629 -6.142 211 H PHE 26 H PHE 26 -7.191 0.774 0.356 212 HA PHE 26 HA PHE 26 -7.906 -2.095 0.669 213 1HB PHE 26 1HB PHE 26 -8.901 -1.551 2.856 214 2HB PHE 26 2HB PHE 26 -7.175 -1.189 2.853 215 HD1 PHE 26 HD1 PHE 26 -6.386 1.221 2.680 216 HD2 PHE 26 HD2 PHE 26 -10.534 0.175 3.217 217 HE1 PHE 26 HE1 PHE 26 -6.912 3.561 3.283 218 HE2 PHE 26 HE2 PHE 26 -11.008 2.470 4.014 219 HZ PHE 26 HZ PHE 26 -9.195 4.178 4.037 220 H ILE 27 H ILE 27 -10.319 -2.332 0.862 221 HA ILE 27 HA ILE 27 -11.615 -0.518 -1.080 222 HB ILE 27 HB ILE 27 -12.509 -3.058 0.315 223 1HG1 ILE 27 2HG1 ILE 27 -11.923 -2.255 -2.574 224 2HG1 ILE 27 1HG1 ILE 27 -10.965 -3.336 -1.547 225 1HG2 ILE 27 2HG2 ILE 27 -14.487 -1.507 0.113 226 2HG2 ILE 27 1HG2 ILE 27 -14.151 -1.355 -1.619 227 3HG2 ILE 27 3HG2 ILE 27 -14.634 -2.911 -0.914 228 1HD1 ILE 27 1HD1 ILE 27 -12.988 -4.886 -1.491 229 2HD1 ILE 27 3HD1 ILE 27 -13.720 -3.840 -2.734 230 3HD1 ILE 27 2HD1 ILE 27 -12.210 -4.685 -3.080 231 NH1 ARG 28 NH1 ARG 28 -17.531 4.702 2.005 232 NH2 ARG 28 NH2 ARG 28 -18.419 4.151 -0.058 233 H ARG 28 H ARG 28 -12.688 1.226 -0.461 234 HA ARG 28 HA ARG 28 -12.545 2.316 2.116 235 1HB ARG 28 1HB ARG 28 -13.056 3.545 -0.021 236 2HB ARG 28 2HB ARG 28 -14.678 2.844 0.023 237 1HG ARG 28 2HG ARG 28 -14.964 3.950 2.327 238 2HG ARG 28 1HG ARG 28 -13.425 4.760 2.033 239 1HD ARG 28 2HD ARG 28 -15.292 6.246 1.419 240 2HD ARG 28 1HD ARG 28 -14.351 5.810 -0.005 241 HE ARG 28 HE ARG 28 -16.194 4.869 -0.926 242 1HH1 ARG 28 2HH1 ARG 28 -16.758 5.049 2.552 243 2HH1 ARG 28 1HH1 ARG 28 -18.402 4.480 2.465 244 1HH2 ARG 28 1HH2 ARG 28 -18.319 4.077 -1.061 245 2HH2 ARG 28 2HH2 ARG 28 -19.313 3.945 0.362 246 H THR 29 H THR 29 -15.370 0.810 0.588 247 HA THR 29 HA THR 29 -17.078 0.912 2.834 248 HB THR 29 HB THR 29 -17.244 -1.052 0.513 249 HG1 THR 29 HG1 THR 29 -17.630 1.757 0.571 250 1HG2 THR 29 2HG2 THR 29 -19.354 0.601 1.993 251 2HG2 THR 29 3HG2 THR 29 -19.657 -0.467 0.607 252 3HG2 THR 29 1HG2 THR 29 -19.112 -1.152 2.145 253 H HIS 30 H HIS 30 -14.393 -1.322 2.257 254 HA HIS 30 HA HIS 30 -15.386 -3.108 4.392 255 1HB HIS 30 2HB HIS 30 -13.892 -3.831 1.854 256 2HB HIS 30 1HB HIS 30 -14.336 -4.888 3.162 257 HD1 HIS 30 HD1 HIS 30 -17.366 -3.347 3.178 258 HD2 HIS 30 HD2 HIS 30 -15.479 -5.501 0.111 259 HE1 HIS 30 HE1 HIS 30 -19.178 -4.156 1.591 260 NH1 ARG 31 NH1 ARG 31 -8.219 2.251 7.200 261 NH2 ARG 31 NH2 ARG 31 -7.814 0.152 6.266 262 H ARG 31 H ARG 31 -14.133 -1.142 5.324 263 HA ARG 31 HA ARG 31 -11.577 -0.523 5.091 264 1HB ARG 31 2HB ARG 31 -13.472 -0.779 7.379 265 2HB ARG 31 1HB ARG 31 -11.795 -0.743 7.898 266 1HG ARG 31 2HG ARG 31 -12.698 1.289 5.847 267 2HG ARG 31 1HG ARG 31 -13.193 1.468 7.526 268 1HD ARG 31 2HD ARG 31 -10.987 2.634 6.826 269 2HD ARG 31 1HD ARG 31 -10.967 1.677 8.322 270 HE ARG 31 HE ARG 31 -10.191 -0.125 6.376 271 1HH1 ARG 31 1HH1 ARG 31 -8.882 2.926 7.546 272 2HH1 ARG 31 2HH1 ARG 31 -7.229 2.470 7.213 273 1HH2 ARG 31 2HH2 ARG 31 -8.192 -0.729 5.936 274 2HH2 ARG 31 1HH2 ARG 31 -6.818 0.331 6.199 275 H GLU 32 H GLU 32 -12.601 -3.469 6.727 276 HA GLU 32 HA GLU 32 -9.894 -4.240 7.520 277 1HB GLU 32 1HB GLU 32 -12.584 -5.676 7.697 278 2HB GLU 32 2HB GLU 32 -11.074 -6.176 8.464 279 1HG GLU 32 2HG GLU 32 -10.985 -4.018 9.705 280 2HG GLU 32 1HG GLU 32 -12.553 -3.564 9.024 281 OH TYR 33 OH TYR 33 -8.544 -7.644 -2.227 282 H TYR 33 H TYR 33 -9.849 -3.905 4.810 283 HA TYR 33 HA TYR 33 -8.984 -6.570 3.971 284 1HB TYR 33 1HB TYR 33 -11.294 -6.774 3.323 285 2HB TYR 33 2HB TYR 33 -11.291 -5.162 2.607 286 HD1 TYR 33 HD1 TYR 33 -9.118 -8.252 2.252 287 HD2 TYR 33 HD2 TYR 33 -11.335 -5.118 0.297 288 HE1 TYR 33 HE1 TYR 33 -8.100 -8.879 0.091 289 HE2 TYR 33 HE2 TYR 33 -10.380 -5.812 -1.886 290 HH TYR 33 HH TYR 33 -7.950 -8.397 -2.165 291 H ILE 34 H ILE 34 -6.941 -5.889 3.605 292 HA ILE 34 HA ILE 34 -6.368 -3.452 2.061 293 HB ILE 34 HB ILE 34 -4.467 -5.665 2.943 294 1HG1 ILE 34 1HG1 ILE 34 -5.418 -4.858 4.983 295 2HG1 ILE 34 2HG1 ILE 34 -3.817 -4.154 4.799 296 1HG2 ILE 34 3HG2 ILE 34 -4.049 -2.780 2.024 297 2HG2 ILE 34 2HG2 ILE 34 -2.787 -3.832 2.691 298 3HG2 ILE 34 1HG2 ILE 34 -3.575 -4.256 1.167 299 1HD1 ILE 34 3HD1 ILE 34 -4.913 -2.010 4.002 300 2HD1 ILE 34 1HD1 ILE 34 -6.489 -2.761 4.372 301 3HD1 ILE 34 2HD1 ILE 34 -5.317 -2.477 5.661 302 H SER 35 H SER 35 -6.331 -3.504 -0.126 303 HA SER 35 HA SER 35 -6.575 -6.125 -1.526 304 1HB SER 35 2HB SER 35 -8.355 -4.249 -1.647 305 2HB SER 35 1HB SER 35 -7.185 -3.392 -2.668 306 HG SER 35 HG SER 35 -8.165 -6.047 -3.114 307 H GLU 36 H GLU 36 -4.520 -3.203 -1.250 308 HA GLU 36 HA GLU 36 -2.469 -4.555 -2.816 309 1HB GLU 36 2HB GLU 36 -3.778 -3.592 -4.652 310 2HB GLU 36 1HB GLU 36 -3.906 -2.050 -3.828 311 1HG GLU 36 1HG GLU 36 -1.416 -1.724 -4.138 312 2HG GLU 36 2HG GLU 36 -1.401 -3.216 -5.096 313 NH1 ARG 37 NH1 ARG 37 1.177 -5.339 4.187 314 NH2 ARG 37 NH2 ARG 37 2.799 -6.182 2.840 315 H ARG 37 H ARG 37 -0.426 -3.238 -2.783 316 HA ARG 37 HA ARG 37 -0.359 -1.043 -0.811 317 1HB ARG 37 1HB ARG 37 0.967 -3.753 -0.560 318 2HB ARG 37 2HB ARG 37 1.876 -2.305 -0.096 319 1HG ARG 37 1HG ARG 37 0.817 -1.940 1.745 320 2HG ARG 37 2HG ARG 37 -0.747 -2.168 1.046 321 1HD ARG 37 1HD ARG 37 -0.404 -3.782 2.836 322 2HD ARG 37 2HD ARG 37 -0.745 -4.540 1.277 323 HE ARG 37 HE ARG 37 1.753 -4.833 1.041 324 1HH1 ARG 37 2HH1 ARG 37 0.336 -4.822 4.376 325 2HH1 ARG 37 1HH1 ARG 37 1.702 -5.798 4.940 326 1HH2 ARG 37 2HH2 ARG 37 3.292 -6.287 1.971 327 2HH2 ARG 37 1HH2 ARG 37 3.231 -6.507 3.708 328 H GLY 38 H GLY 38 1.623 0.232 -0.983 329 1HA GLY 38 2HA GLY 38 3.439 -0.280 -3.148 330 2HA GLY 38 1HA GLY 38 2.136 0.710 -3.774 331 H CYS 39 H CYS 39 3.988 2.010 -4.255 332 HA CYS 39 HA CYS 39 5.544 3.346 -2.170 333 1HB CYS 39 2HB CYS 39 6.672 2.471 -4.080 334 2HB CYS 39 1HB CYS 39 5.556 3.255 -5.208 335 H GLY 40 H GLY 40 5.704 5.561 -1.891 336 1HA GLY 40 2HA GLY 40 4.509 7.378 -1.214 337 2HA GLY 40 1HA GLY 40 5.163 7.872 -2.727 338 H CYS 41 H CYS 41 2.541 6.665 -0.890 339 HA CYS 41 HA CYS 41 0.252 6.190 -1.778 340 1HB CYS 41 1HB CYS 41 0.874 7.038 0.474 341 2HB CYS 41 2HB CYS 41 0.700 8.677 -0.125 342 HA PRO 42 HA PRO 42 -0.915 9.341 -4.837 343 1HB PRO 42 1HB PRO 42 -1.902 7.733 -6.785 344 2HB PRO 42 2HB PRO 42 -0.154 7.994 -6.562 345 1HG PRO 42 2HG PRO 42 -1.858 5.670 -5.606 346 2HG PRO 42 1HG PRO 42 -0.261 5.587 -6.403 347 1HD PRO 42 2HD PRO 42 -0.700 5.468 -3.661 348 2HD PRO 42 1HD PRO 42 0.843 6.037 -4.382 349 H THR 43 H THR 43 -3.127 9.754 -5.688 350 HA THR 43 HA THR 43 -5.122 9.366 -3.720 351 HB THR 43 HB THR 43 -5.764 10.079 -6.585 352 HG1 THR 43 HG1 THR 43 -4.824 12.150 -6.188 353 1HG2 THR 43 2HG2 THR 43 -7.519 10.298 -4.829 354 2HG2 THR 43 3HG2 THR 43 -6.454 11.381 -3.905 355 3HG2 THR 43 1HG2 THR 43 -7.075 11.879 -5.492 356 H ALA 44 H ALA 44 -7.173 8.216 -3.945 357 HA ALA 44 HA ALA 44 -7.462 6.182 -6.036 358 1HB ALA 44 3HB ALA 44 -7.219 5.552 -3.068 359 2HB ALA 44 1HB ALA 44 -7.863 4.417 -4.280 360 3HB ALA 44 2HB ALA 44 -6.172 4.958 -4.366 361 H MET 45 H MET 45 -9.731 5.430 -6.100 362 HA MET 45 HA MET 45 -11.653 7.105 -4.614 363 1HB MET 45 1HB MET 45 -11.376 6.541 -7.605 364 2HB MET 45 2HB MET 45 -12.853 7.120 -6.843 365 1HG MET 45 2HG MET 45 -11.626 9.115 -5.983 366 2HG MET 45 1HG MET 45 -10.168 8.554 -6.816 367 1HE MET 45 2HE MET 45 -11.331 11.468 -7.100 368 2HE MET 45 1HE MET 45 -9.872 10.885 -7.943 369 3HE MET 45 3HE MET 45 -11.158 11.712 -8.854 370 CH2 TRP 46 CH2 TRP 46 -20.639 2.357 -4.601 371 H TRP 46 H TRP 46 -13.785 6.186 -4.681 372 HA TRP 46 HA TRP 46 -13.978 3.645 -3.702 373 1HB TRP 46 1HB TRP 46 -15.701 5.561 -3.702 374 2HB TRP 46 2HB TRP 46 -16.136 5.024 -5.306 375 HD1 TRP 46 HD1 TRP 46 -15.607 3.008 -2.013 376 HE1 TRP 46 HE1 TRP 46 -17.660 1.492 -1.646 377 HE3 TRP 46 HE3 TRP 46 -18.415 4.655 -5.854 378 HZ2 TRP 46 HZ2 TRP 46 -20.254 1.116 -2.870 379 HZ3 TRP 46 HZ3 TRP 46 -20.727 3.728 -6.267 380 HH2 TRP 46 HH2 TRP 46 -21.629 1.959 -4.773 381 HA PRO 47 HA PRO 47 -15.172 1.383 -3.854 382 1HB PRO 47 2HB PRO 47 -14.053 -1.036 -4.072 383 2HB PRO 47 1HB PRO 47 -15.480 -0.544 -5.019 384 1HG PRO 47 1HG PRO 47 -12.585 -0.452 -5.935 385 2HG PRO 47 2HG PRO 47 -13.967 -1.231 -6.766 386 1HD PRO 47 1HD PRO 47 -13.194 1.291 -7.419 387 2HD PRO 47 2HD PRO 47 -14.930 0.891 -7.318 388 OH TYR 48 OH TYR 48 -8.511 -3.821 -5.797 389 H TYR 48 H TYR 48 -11.891 2.150 -4.859 390 HA TYR 48 HA TYR 48 -10.764 1.026 -2.358 391 1HB TYR 48 1HB TYR 48 -9.517 2.180 -4.881 392 2HB TYR 48 2HB TYR 48 -8.586 1.707 -3.459 393 HD1 TYR 48 HD1 TYR 48 -9.750 -0.865 -2.623 394 HD2 TYR 48 HD2 TYR 48 -8.871 0.648 -6.571 395 HE1 TYR 48 HE1 TYR 48 -9.557 -3.158 -3.468 396 HE2 TYR 48 HE2 TYR 48 -8.401 -1.668 -7.326 397 HH TYR 48 HH TYR 48 -8.366 -4.399 -5.033 398 H GLN 49 H GLN 49 -9.239 2.117 -1.142 399 HA GLN 49 HA GLN 49 -8.817 4.893 -1.672 400 1HB GLN 49 2HB GLN 49 -10.849 4.821 -0.048 401 2HB GLN 49 1HB GLN 49 -9.690 4.161 1.136 402 1HG GLN 49 1HG GLN 49 -10.138 6.688 1.256 403 2HG GLN 49 2HG GLN 49 -8.455 6.157 1.248 404 1HE2 GLN 49 1HE2 GLN 49 -9.885 7.841 -2.251 405 2HE2 GLN 49 2HE2 GLN 49 -11.036 7.125 -1.128 406 H THR 50 H THR 50 -6.929 5.632 -0.681 407 HA THR 50 HA THR 50 -5.027 3.494 0.167 408 HB THR 50 HB THR 50 -3.423 5.501 -0.565 409 HG1 THR 50 HG1 THR 50 -4.297 6.615 -2.328 410 1HG2 THR 50 2HG2 THR 50 -3.449 3.232 -1.493 411 2HG2 THR 50 3HG2 THR 50 -4.814 3.660 -2.543 412 3HG2 THR 50 1HG2 THR 50 -3.228 4.445 -2.766 413 H GLU 51 H GLU 51 -4.309 3.515 2.197 414 HA GLU 51 HA GLU 51 -4.413 6.105 3.705 415 1HB GLU 51 1HB GLU 51 -4.159 4.884 5.760 416 2HB GLU 51 2HB GLU 51 -5.678 4.542 4.931 417 1HG GLU 51 2HG GLU 51 -4.567 2.509 3.975 418 2HG GLU 51 1HG GLU 51 -3.208 2.788 5.094 419 H CYS 52 H CYS 52 -2.518 7.075 3.731 420 HA CYS 52 HA CYS 52 -0.236 5.869 2.464 421 1HB CYS 52 2HB CYS 52 -0.399 8.472 3.966 422 2HB CYS 52 1HB CYS 52 0.708 8.074 2.657 423 H CYS 53 H CYS 53 1.980 6.062 3.429 424 HA CYS 53 HA CYS 53 2.287 6.362 6.296 425 1HB CYS 53 1HB CYS 53 3.074 4.161 6.792 426 2HB CYS 53 2HB CYS 53 1.496 3.945 6.019 427 H LYS 54 H LYS 54 4.774 5.590 6.754 428 HA LYS 54 HA LYS 54 6.587 6.027 4.549 429 1HB LYS 54 2HB LYS 54 7.754 7.625 6.158 430 2HB LYS 54 1HB LYS 54 6.400 8.298 5.234 431 1HG LYS 54 1HG LYS 54 4.947 8.128 7.209 432 2HG LYS 54 2HG LYS 54 6.236 7.299 8.115 433 1HD LYS 54 1HD LYS 54 7.653 9.329 7.960 434 2HD LYS 54 2HD LYS 54 6.423 10.124 6.964 435 1HE LYS 54 2HE LYS 54 6.274 10.930 9.262 436 2HE LYS 54 1HE LYS 54 4.808 10.029 8.845 437 1HZ LYS 54 3HZ LYS 54 7.087 8.975 10.376 438 2HZ LYS 54 1HZ LYS 54 5.647 9.466 11.008 439 3HZ LYS 54 2HZ LYS 54 5.704 8.152 10.018 440 H GLY 55 H GLY 55 8.789 5.472 5.403 441 1HA GLY 55 2HA GLY 55 10.211 4.460 6.945 442 2HA GLY 55 1HA GLY 55 8.890 3.798 7.890 443 H ASP 56 H ASP 56 11.244 2.520 6.758 444 HA ASP 56 HA ASP 56 10.586 1.064 4.406 445 1HB ASP 56 1HB ASP 56 12.493 0.458 6.553 446 2HB ASP 56 2HB ASP 56 12.418 -0.434 5.073 447 NH1 ARG 57 NH2 ARG 57 11.661 -6.767 9.051 448 NH2 ARG 57 NH1 ARG 57 12.413 -5.293 10.673 449 H ARG 57 H ARG 57 9.992 -0.886 4.184 450 HA ARG 57 HA ARG 57 8.158 -2.327 4.282 451 1HB ARG 57 1HB ARG 57 8.505 -4.160 5.875 452 2HB ARG 57 2HB ARG 57 9.981 -3.719 5.015 453 1HG ARG 57 2HG ARG 57 10.869 -2.594 6.988 454 2HG ARG 57 1HG ARG 57 9.337 -2.823 7.861 455 1HD ARG 57 1HD ARG 57 9.620 -5.263 7.743 456 2HD ARG 57 2HD ARG 57 11.140 -5.053 6.834 457 HE ARG 57 HE ARG 57 11.311 -3.563 9.239 458 1HH1 ARG 57 2HH2 ARG 57 11.168 -6.925 8.185 459 2HH1 ARG 57 1HH2 ARG 57 12.064 -7.549 9.544 460 1HH2 ARG 57 1HH1 ARG 57 12.489 -4.350 11.027 461 2HH2 ARG 57 2HH1 ARG 57 12.829 -6.051 11.194 462 H CYS 58 H CYS 58 7.438 0.306 5.524 463 HA CYS 58 HA CYS 58 5.977 0.121 7.822 464 1HB CYS 58 1HB CYS 58 5.277 2.119 7.108 465 2HB CYS 58 2HB CYS 58 5.839 1.747 5.477 466 H ASN 59 H ASN 59 5.020 -1.048 4.637 467 HA ASN 59 HA ASN 59 2.581 -2.412 5.640 468 1HB ASN 59 2HB ASN 59 2.289 -2.808 3.154 469 2HB ASN 59 1HB ASN 59 2.070 -1.168 3.762 470 1HD2 ASN 59 1HD2 ASN 59 3.932 -0.043 1.014 471 2HD2 ASN 59 2HD2 ASN 59 2.362 -0.170 1.659 472 H LYS 60 H LYS 60 4.169 -3.595 6.926 473 HA LYS 60 HA LYS 60 6.053 -5.380 5.913 474 1HB LYS 60 2HB LYS 60 6.112 -6.329 8.052 475 2HB LYS 60 1HB LYS 60 5.717 -4.631 8.303 476 1HG LYS 60 1HG LYS 60 3.822 -7.019 8.429 477 2HG LYS 60 2HG LYS 60 4.453 -6.091 9.793 478 1HD LYS 60 2HD LYS 60 3.265 -4.047 8.899 479 2HD LYS 60 1HD LYS 60 2.511 -5.085 7.666 480 1HE LYS 60 2HE LYS 60 2.221 -5.435 10.683 481 2HE LYS 60 1HE LYS 60 1.021 -4.714 9.599 482 1HZ LYS 60 1HZ LYS 60 0.916 -6.802 8.428 483 2HZ LYS 60 2HZ LYS 60 1.990 -7.481 9.475 484 3HZ LYS 60 3HZ LYS 60 0.517 -6.984 10.018 Start of MODEL 16 Raw file had 484 H/Q atoms Start of MODEL 16 1 NH1 ARG 1 NH2 ARG 1 14.503 4.570 4.874 2 NH2 ARG 1 NH1 ARG 1 13.702 6.744 4.825 3 1H ARG 1 1H ARG 1 12.336 4.226 -1.193 4 2H ARG 1 2H ARG 1 10.991 4.985 -0.675 5 3H ARG 1 3H ARG 1 12.436 5.486 -0.118 6 HA ARG 1 HA ARG 1 12.730 3.571 1.163 7 1HB ARG 1 1HB ARG 1 10.938 5.258 1.893 8 2HB ARG 1 2HB ARG 1 9.722 4.157 1.260 9 1HG ARG 1 2HG ARG 1 9.900 4.017 3.663 10 2HG ARG 1 1HG ARG 1 10.367 2.481 2.960 11 1HD ARG 1 1HD ARG 1 11.891 3.178 4.816 12 2HD ARG 1 2HD ARG 1 12.784 3.077 3.312 13 HE ARG 1 HE ARG 1 11.659 5.728 3.894 14 1HH1 ARG 1 1HH2 ARG 1 14.354 3.584 4.727 15 2HH1 ARG 1 2HH2 ARG 1 15.371 4.882 5.283 16 1HH2 ARG 1 1HH1 ARG 1 12.928 7.381 4.654 17 2HH2 ARG 1 2HH1 ARG 1 14.555 7.099 5.230 18 H ILE 2 H ILE 2 11.814 1.377 1.849 19 HA ILE 2 HA ILE 2 11.212 -0.261 -0.512 20 HB ILE 2 HB ILE 2 11.577 -0.876 2.463 21 1HG1 ILE 2 2HG1 ILE 2 13.642 -0.183 1.140 22 2HG1 ILE 2 1HG1 ILE 2 13.707 -1.739 1.968 23 1HG2 ILE 2 2HG2 ILE 2 11.069 -2.766 0.119 24 2HG2 ILE 2 3HG2 ILE 2 11.668 -3.281 1.715 25 3HG2 ILE 2 1HG2 ILE 2 10.071 -2.550 1.559 26 1HD1 ILE 2 3HD1 ILE 2 13.005 -1.486 -0.975 27 2HD1 ILE 2 2HD1 ILE 2 14.648 -1.754 -0.363 28 3HD1 ILE 2 1HD1 ILE 2 13.390 -2.966 -0.080 29 H CYS 3 H CYS 3 9.092 -0.815 -1.062 30 HA CYS 3 HA CYS 3 6.987 -0.563 1.046 31 1HB CYS 3 2HB CYS 3 6.731 0.464 -1.787 32 2HB CYS 3 1HB CYS 3 5.477 0.464 -0.556 33 OH TYR 4 OH TYR 4 7.441 -7.712 4.113 34 H TYR 4 H TYR 4 5.260 -1.972 0.772 35 HA TYR 4 HA TYR 4 5.795 -4.322 -0.947 36 1HB TYR 4 2HB TYR 4 3.794 -3.645 1.232 37 2HB TYR 4 1HB TYR 4 3.665 -5.075 0.229 38 HD1 TYR 4 HD2 TYR 4 7.179 -4.466 0.948 39 HD2 TYR 4 HD1 TYR 4 3.506 -5.996 2.603 40 HE1 TYR 4 HE2 TYR 4 8.463 -6.013 2.367 41 HE2 TYR 4 HE1 TYR 4 4.815 -7.466 4.123 42 HH TYR 4 HH TYR 4 6.862 -8.286 4.622 43 H SER 5 H SER 5 4.246 -4.978 -2.539 44 HA SER 5 HA SER 5 2.303 -2.865 -3.405 45 1HB SER 5 1HB SER 5 4.032 -4.674 -5.128 46 2HB SER 5 2HB SER 5 2.807 -3.507 -5.689 47 HG SER 5 HG SER 5 4.139 -2.005 -4.254 48 H HIS 6 H HIS 6 2.994 -6.404 -3.347 49 HA HIS 6 HA HIS 6 0.427 -7.246 -4.239 50 1HB HIS 6 1HB HIS 6 0.913 -9.303 -2.760 51 2HB HIS 6 2HB HIS 6 1.995 -8.980 -4.086 52 HD1 HIS 6 HD1 HIS 6 2.357 -7.012 -0.860 53 HD2 HIS 6 HD2 HIS 6 3.989 -10.425 -2.623 54 HE1 HIS 6 HE1 HIS 6 4.515 -7.565 0.392 55 H LYS 7 H LYS 7 -1.590 -7.245 -3.285 56 HA LYS 7 HA LYS 7 -2.070 -6.000 -0.814 57 1HB LYS 7 2HB LYS 7 -4.159 -6.139 -1.432 58 2HB LYS 7 1HB LYS 7 -3.635 -6.918 -2.920 59 1HG LYS 7 2HG LYS 7 -4.589 -8.326 -0.393 60 2HG LYS 7 1HG LYS 7 -5.582 -7.935 -1.784 61 1HD LYS 7 2HD LYS 7 -4.593 -9.477 -3.216 62 2HD LYS 7 1HD LYS 7 -3.125 -9.624 -2.264 63 1HE LYS 7 2HE LYS 7 -4.420 -11.618 -1.866 64 2HE LYS 7 1HE LYS 7 -4.463 -10.649 -0.387 65 1HZ LYS 7 2HZ LYS 7 -6.625 -9.823 -1.096 66 2HZ LYS 7 1HZ LYS 7 -6.575 -10.773 -2.433 67 3HZ LYS 7 3HZ LYS 7 -6.625 -11.464 -0.939 68 H ALA 8 H ALA 8 -1.124 -9.298 -1.435 69 HA ALA 8 HA ALA 8 -1.703 -10.180 1.350 70 1HB ALA 8 3HB ALA 8 -0.710 -11.688 -1.112 71 2HB ALA 8 1HB ALA 8 -0.981 -12.391 0.496 72 3HB ALA 8 2HB ALA 8 -2.349 -11.749 -0.430 73 H SER 9 H SER 9 -0.039 -9.733 2.788 74 HA SER 9 HA SER 9 2.546 -8.932 1.800 75 1HB SER 9 2HB SER 9 2.468 -9.240 4.677 76 2HB SER 9 1HB SER 9 2.532 -7.785 3.692 77 HG SER 9 HG SER 9 0.734 -7.719 4.913 78 H LEU 10 H LEU 10 2.739 -11.020 0.632 79 HA LEU 10 HA LEU 10 4.355 -12.987 2.218 80 1HB LEU 10 2HB LEU 10 2.162 -13.808 1.304 81 2HB LEU 10 1HB LEU 10 2.776 -13.543 -0.325 82 HG LEU 10 HG LEU 10 3.985 -15.377 1.809 83 1HD1 LEU 10 2HD2 LEU 10 1.807 -16.154 0.939 84 2HD1 LEU 10 3HD2 LEU 10 2.420 -16.027 -0.724 85 3HD1 LEU 10 1HD2 LEU 10 3.126 -17.206 0.401 86 1HD2 LEU 10 3HD1 LEU 10 4.779 -14.965 -1.110 87 2HD2 LEU 10 1HD1 LEU 10 5.796 -14.696 0.327 88 3HD2 LEU 10 2HD1 LEU 10 5.309 -16.331 -0.109 89 HA PRO 11 HA PRO 11 7.064 -10.045 -0.010 90 1HB PRO 11 2HB PRO 11 8.942 -12.245 0.879 91 2HB PRO 11 1HB PRO 11 9.248 -10.484 0.670 92 1HG PRO 11 1HG PRO 11 8.550 -11.444 3.137 93 2HG PRO 11 2HG PRO 11 7.767 -9.961 2.511 94 1HD PRO 11 1HD PRO 11 6.676 -12.772 2.570 95 2HD PRO 11 2HD PRO 11 5.835 -11.223 2.876 96 NH1 ARG 12 NH2 ARG 12 3.818 -11.266 -7.552 97 NH2 ARG 12 NH1 ARG 12 2.112 -11.314 -5.987 98 H ARG 12 H ARG 12 6.963 -9.909 -2.021 99 HA ARG 12 HA ARG 12 8.395 -11.471 -3.938 100 1HB ARG 12 2HB ARG 12 6.550 -13.058 -3.681 101 2HB ARG 12 1HB ARG 12 5.364 -11.778 -3.874 102 1HG ARG 12 2HG ARG 12 6.274 -11.432 -6.248 103 2HG ARG 12 1HG ARG 12 7.329 -12.824 -5.965 104 1HD ARG 12 1HD ARG 12 5.285 -13.535 -7.161 105 2HD ARG 12 2HD ARG 12 5.349 -14.247 -5.553 106 HE ARG 12 HE ARG 12 3.477 -13.111 -4.925 107 1HH1 ARG 12 1HH2 ARG 12 4.706 -11.617 -7.877 108 2HH1 ARG 12 2HH2 ARG 12 3.343 -10.550 -8.081 109 1HH2 ARG 12 1HH1 ARG 12 1.709 -11.705 -5.148 110 2HH2 ARG 12 2HH1 ARG 12 1.611 -10.595 -6.487 111 H ALA 13 H ALA 13 5.266 -9.814 -4.282 112 HA ALA 13 HA ALA 13 6.466 -7.772 -6.016 113 1HB ALA 13 3HB ALA 13 4.215 -8.704 -6.472 114 2HB ALA 13 2HB ALA 13 3.635 -7.964 -4.966 115 3HB ALA 13 1HB ALA 13 4.217 -6.940 -6.285 116 H THR 14 H THR 14 7.982 -7.183 -4.357 117 HA THR 14 HA THR 14 7.052 -4.936 -2.639 118 HB THR 14 HB THR 14 8.949 -5.595 -1.124 119 HG1 THR 14 HG1 THR 14 9.873 -6.915 -3.009 120 1HG2 THR 14 2HG2 THR 14 6.593 -6.469 -0.713 121 2HG2 THR 14 1HG2 THR 14 7.050 -7.937 -1.578 122 3HG2 THR 14 3HG2 THR 14 7.879 -7.518 -0.070 123 H LYS 15 H LYS 15 8.305 -3.024 -3.024 124 HA LYS 15 HA LYS 15 10.654 -3.338 -4.854 125 1HB LYS 15 2HB LYS 15 9.751 -1.454 -6.222 126 2HB LYS 15 1HB LYS 15 8.837 -2.964 -6.329 127 1HG LYS 15 1HG LYS 15 7.107 -2.071 -4.802 128 2HG LYS 15 2HG LYS 15 8.059 -0.611 -4.544 129 1HD LYS 15 1HD LYS 15 6.209 -0.248 -6.125 130 2HD LYS 15 2HD LYS 15 7.784 0.071 -6.864 131 1HE LYS 15 1HE LYS 15 6.165 -1.156 -8.341 132 2HE LYS 15 2HE LYS 15 7.713 -1.982 -8.133 133 1HZ LYS 15 3HZ LYS 15 5.286 -2.611 -6.595 134 2HZ LYS 15 1HZ LYS 15 5.792 -3.436 -7.937 135 3HZ LYS 15 2HZ LYS 15 6.708 -3.426 -6.568 136 H THR 16 H THR 16 11.980 -1.548 -5.054 137 HA THR 16 HA THR 16 12.279 0.045 -2.561 138 HB THR 16 HB THR 16 14.271 -0.479 -4.813 139 HG1 THR 16 HG1 THR 16 13.634 -2.380 -3.635 140 1HG2 THR 16 1HG2 THR 16 14.614 0.557 -1.956 141 2HG2 THR 16 2HG2 THR 16 15.922 0.230 -3.109 142 3HG2 THR 16 3HG2 THR 16 14.766 1.534 -3.436 143 H CYS 17 H CYS 17 10.928 1.807 -2.903 144 HA CYS 17 HA CYS 17 10.983 3.186 -5.563 145 1HB CYS 17 1HB CYS 17 9.185 3.309 -3.127 146 2HB CYS 17 2HB CYS 17 9.139 4.544 -4.394 147 H VAL 18 H VAL 18 11.111 5.639 -5.422 148 HA VAL 18 HA VAL 18 13.367 6.415 -3.783 149 HB VAL 18 HB VAL 18 13.068 8.572 -4.862 150 1HG1 VAL 18 1HG2 VAL 18 14.352 6.744 -5.935 151 2HG1 VAL 18 2HG2 VAL 18 12.901 6.267 -6.844 152 3HG1 VAL 18 3HG2 VAL 18 13.643 7.854 -7.118 153 1HG2 VAL 18 1HG1 VAL 18 10.592 7.426 -6.220 154 2HG2 VAL 18 3HG1 VAL 18 10.703 8.881 -5.197 155 3HG2 VAL 18 2HG1 VAL 18 11.485 8.849 -6.769 156 H GLU 19 H GLU 19 9.915 7.353 -3.918 157 HA GLU 19 HA GLU 19 9.745 9.216 -1.952 158 1HB GLU 19 2HB GLU 19 7.812 6.967 -2.636 159 2HB GLU 19 1HB GLU 19 7.378 8.227 -1.488 160 1HG GLU 19 1HG GLU 19 8.426 8.992 -4.205 161 2HG GLU 19 2HG GLU 19 6.726 8.603 -3.967 162 H ASN 20 H ASN 20 9.499 9.401 0.158 163 HA ASN 20 HA ASN 20 10.629 7.358 1.861 164 1HB ASN 20 1HB ASN 20 10.955 9.772 2.266 165 2HB ASN 20 2HB ASN 20 9.220 9.948 2.589 166 1HD2 ASN 20 2HD2 ASN 20 9.682 9.020 5.978 167 2HD2 ASN 20 1HD2 ASN 20 8.748 9.917 4.798 168 H THR 21 H THR 21 7.377 8.108 0.696 169 HA THR 21 HA THR 21 6.122 6.752 3.016 170 HB THR 21 HB THR 21 4.075 7.852 1.864 171 HG1 THR 21 HG1 THR 21 4.762 9.723 0.635 172 1HG2 THR 21 3HG2 THR 21 6.261 9.584 3.109 173 2HG2 THR 21 2HG2 THR 21 4.546 10.027 2.962 174 3HG2 THR 21 1HG2 THR 21 5.018 8.661 3.986 175 H CYS 22 H CYS 22 4.554 5.212 2.689 176 HA CYS 22 HA CYS 22 4.344 3.926 0.026 177 1HB CYS 22 1HB CYS 22 4.234 2.394 2.625 178 2HB CYS 22 2HB CYS 22 4.312 1.789 0.984 179 OH TYR 23 OH TYR 23 -0.750 2.656 -5.534 180 H TYR 23 H TYR 23 2.263 2.586 0.045 181 HA TYR 23 HA TYR 23 0.246 3.588 1.979 182 1HB TYR 23 1HB TYR 23 -1.341 4.144 0.280 183 2HB TYR 23 2HB TYR 23 0.145 5.019 0.013 184 HD1 TYR 23 HD2 TYR 23 -1.968 2.183 -1.188 185 HD2 TYR 23 HD1 TYR 23 1.411 4.692 -2.100 186 HE1 TYR 23 HE2 TYR 23 -2.199 1.617 -3.571 187 HE2 TYR 23 HE1 TYR 23 1.050 4.268 -4.521 188 HH TYR 23 HH TYR 23 -1.429 2.002 -5.712 189 H LYS 24 H LYS 24 -1.684 2.495 1.795 190 HA LYS 24 HA LYS 24 -1.734 -0.044 0.348 191 1HB LYS 24 1HB LYS 24 -2.544 -1.374 2.233 192 2HB LYS 24 2HB LYS 24 -0.936 -0.699 2.568 193 1HG LYS 24 2HG LYS 24 -1.897 0.989 4.050 194 2HG LYS 24 1HG LYS 24 -3.527 0.396 3.660 195 1HD LYS 24 2HD LYS 24 -2.821 -0.489 5.815 196 2HD LYS 24 1HD LYS 24 -3.064 -1.781 4.637 197 1HE LYS 24 2HE LYS 24 -0.608 -1.985 4.323 198 2HE LYS 24 1HE LYS 24 -0.359 -0.655 5.478 199 1HZ LYS 24 1HZ LYS 24 -1.685 -3.208 6.072 200 2HZ LYS 24 3HZ LYS 24 -0.116 -2.897 6.413 201 3HZ LYS 24 2HZ LYS 24 -1.306 -2.029 7.157 202 H MET 25 H MET 25 -3.520 -0.395 -0.657 203 HA MET 25 HA MET 25 -5.707 1.581 -0.407 204 1HB MET 25 2HB MET 25 -4.457 1.545 -2.555 205 2HB MET 25 1HB MET 25 -4.946 -0.141 -2.699 206 1HG MET 25 1HG MET 25 -7.336 0.529 -2.725 207 2HG MET 25 2HG MET 25 -6.865 2.207 -2.464 208 1HE MET 25 2HE MET 25 -7.415 -0.672 -4.948 209 2HE MET 25 1HE MET 25 -6.510 -0.161 -6.389 210 3HE MET 25 3HE MET 25 -5.632 -0.676 -4.931 211 H PHE 26 H PHE 26 -7.680 0.858 0.124 212 HA PHE 26 HA PHE 26 -8.348 -2.038 0.108 213 1HB PHE 26 1HB PHE 26 -9.572 -1.444 2.330 214 2HB PHE 26 2HB PHE 26 -7.832 -1.676 2.384 215 HD1 PHE 26 HD1 PHE 26 -6.276 0.175 2.670 216 HD2 PHE 26 HD2 PHE 26 -10.533 0.866 2.601 217 HE1 PHE 26 HE1 PHE 26 -5.919 2.530 3.206 218 HE2 PHE 26 HE2 PHE 26 -10.164 3.188 3.366 219 HZ PHE 26 HZ PHE 26 -7.822 4.035 3.687 220 H ILE 27 H ILE 27 -10.793 -2.236 0.448 221 HA ILE 27 HA ILE 27 -12.087 -0.444 -1.475 222 HB ILE 27 HB ILE 27 -13.167 -2.696 0.255 223 1HG1 ILE 27 2HG1 ILE 27 -12.512 -2.590 -2.730 224 2HG1 ILE 27 1HG1 ILE 27 -11.528 -3.378 -1.492 225 1HG2 ILE 27 1HG2 ILE 27 -14.927 -1.004 -0.414 226 2HG2 ILE 27 2HG2 ILE 27 -14.496 -1.275 -2.109 227 3HG2 ILE 27 3HG2 ILE 27 -15.204 -2.578 -1.136 228 1HD1 ILE 27 3HD1 ILE 27 -13.477 -4.868 -0.944 229 2HD1 ILE 27 2HD1 ILE 27 -14.310 -4.204 -2.374 230 3HD1 ILE 27 1HD1 ILE 27 -12.786 -5.082 -2.567 231 NH1 ARG 28 NH2 ARG 28 -14.715 7.996 -2.011 232 NH2 ARG 28 NH1 ARG 28 -12.839 7.078 -3.025 233 H ARG 28 H ARG 28 -13.442 1.220 -0.942 234 HA ARG 28 HA ARG 28 -12.888 2.550 1.489 235 1HB ARG 28 1HB ARG 28 -13.579 3.490 -0.794 236 2HB ARG 28 2HB ARG 28 -15.255 3.142 -0.351 237 1HG ARG 28 1HG ARG 28 -15.036 4.613 1.638 238 2HG ARG 28 2HG ARG 28 -13.329 4.889 1.269 239 1HD ARG 28 2HD ARG 28 -15.701 5.732 -0.440 240 2HD ARG 28 1HD ARG 28 -14.674 6.786 0.550 241 HE ARG 28 HE ARG 28 -13.024 5.350 -1.304 242 1HH1 ARG 28 2HH2 ARG 28 -15.410 7.958 -1.282 243 2HH1 ARG 28 1HH2 ARG 28 -14.732 8.754 -2.677 244 1HH2 ARG 28 1HH1 ARG 28 -12.150 6.327 -3.054 245 2HH2 ARG 28 2HH1 ARG 28 -12.773 7.835 -3.688 246 H THR 29 H THR 29 -15.778 0.737 0.495 247 HA THR 29 HA THR 29 -17.219 1.207 2.975 248 HB THR 29 HB THR 29 -18.591 -0.746 2.006 249 HG1 THR 29 HG1 THR 29 -18.054 -1.261 -0.153 250 1HG2 THR 29 2HG2 THR 29 -19.196 1.632 1.610 251 2HG2 THR 29 1HG2 THR 29 -18.111 1.680 0.203 252 3HG2 THR 29 3HG2 THR 29 -19.545 0.633 0.188 253 H HIS 30 H HIS 30 -15.710 -1.647 1.499 254 HA HIS 30 HA HIS 30 -15.601 -3.075 4.083 255 1HB HIS 30 1HB HIS 30 -14.622 -3.901 1.326 256 2HB HIS 30 2HB HIS 30 -14.679 -4.922 2.761 257 HD1 HIS 30 HD1 HIS 30 -17.170 -5.402 3.750 258 HD2 HIS 30 HD2 HIS 30 -17.016 -3.699 -0.078 259 HE1 HIS 30 HE1 HIS 30 -19.470 -5.665 2.708 260 NH1 ARG 31 NH2 ARG 31 -8.299 2.209 6.940 261 NH2 ARG 31 NH1 ARG 31 -7.857 0.195 5.866 262 H ARG 31 H ARG 31 -14.359 -1.073 4.777 263 HA ARG 31 HA ARG 31 -11.785 -0.434 4.256 264 1HB ARG 31 2HB ARG 31 -13.605 -0.396 6.604 265 2HB ARG 31 1HB ARG 31 -11.926 -0.434 7.101 266 1HG ARG 31 1HG ARG 31 -12.637 1.502 4.900 267 2HG ARG 31 2HG ARG 31 -13.265 1.826 6.508 268 1HD ARG 31 1HD ARG 31 -10.973 2.855 5.988 269 2HD ARG 31 2HD ARG 31 -11.093 1.918 7.493 270 HE ARG 31 HE ARG 31 -10.250 0.184 5.393 271 1HH1 ARG 31 2HH2 ARG 31 -8.967 2.908 7.222 272 2HH1 ARG 31 1HH2 ARG 31 -7.313 2.351 7.136 273 1HH2 ARG 31 1HH1 ARG 31 -8.210 -0.606 5.358 274 2HH2 ARG 31 2HH1 ARG 31 -6.856 0.323 5.973 275 H GLU 32 H GLU 32 -12.740 -3.150 6.301 276 HA GLU 32 HA GLU 32 -9.991 -3.890 6.923 277 1HB GLU 32 2HB GLU 32 -12.069 -4.127 8.412 278 2HB GLU 32 1HB GLU 32 -12.506 -5.531 7.422 279 1HG GLU 32 2HG GLU 32 -10.329 -6.600 8.056 280 2HG GLU 32 1HG GLU 32 -9.908 -5.159 8.995 281 OH TYR 33 OH TYR 33 -8.459 -8.645 -2.033 282 H TYR 33 H TYR 33 -10.015 -3.806 4.226 283 HA TYR 33 HA TYR 33 -9.236 -6.533 3.579 284 1HB TYR 33 1HB TYR 33 -11.602 -6.695 2.979 285 2HB TYR 33 2HB TYR 33 -11.501 -5.196 2.050 286 HD1 TYR 33 HD2 TYR 33 -9.962 -8.627 2.255 287 HD2 TYR 33 HD1 TYR 33 -10.898 -5.245 -0.241 288 HE1 TYR 33 HE2 TYR 33 -8.780 -9.696 0.355 289 HE2 TYR 33 HE1 TYR 33 -9.764 -6.330 -2.148 290 HH TYR 33 HH TYR 33 -8.430 -8.091 -2.815 291 H ILE 34 H ILE 34 -7.226 -6.100 2.837 292 HA ILE 34 HA ILE 34 -6.622 -3.547 1.525 293 HB ILE 34 HB ILE 34 -4.834 -5.978 1.939 294 1HG1 ILE 34 1HG1 ILE 34 -5.500 -5.338 4.136 295 2HG1 ILE 34 2HG1 ILE 34 -3.900 -4.662 3.861 296 1HG2 ILE 34 3HG2 ILE 34 -4.233 -3.047 1.307 297 2HG2 ILE 34 1HG2 ILE 34 -3.020 -4.285 1.694 298 3HG2 ILE 34 2HG2 ILE 34 -3.999 -4.430 0.233 299 1HD1 ILE 34 1HD1 ILE 34 -5.013 -2.424 3.362 300 2HD1 ILE 34 2HD1 ILE 34 -6.557 -3.160 3.847 301 3HD1 ILE 34 3HD1 ILE 34 -5.241 -3.027 5.014 302 H SER 35 H SER 35 -6.721 -3.244 -0.568 303 HA SER 35 HA SER 35 -7.484 -5.412 -2.425 304 1HB SER 35 1HB SER 35 -7.371 -2.383 -2.766 305 2HB SER 35 2HB SER 35 -8.057 -3.550 -3.911 306 HG SER 35 HG SER 35 -8.955 -3.667 -1.264 307 H GLU 36 H GLU 36 -4.922 -2.879 -1.929 308 HA GLU 36 HA GLU 36 -2.936 -4.537 -3.095 309 1HB GLU 36 2HB GLU 36 -4.412 -3.435 -5.152 310 2HB GLU 36 1HB GLU 36 -3.293 -2.112 -4.847 311 1HG GLU 36 1HG GLU 36 -2.440 -3.542 -6.596 312 2HG GLU 36 2HG GLU 36 -1.387 -3.740 -5.204 313 NH1 ARG 37 NH1 ARG 37 0.853 -5.267 3.252 314 NH2 ARG 37 NH2 ARG 37 0.460 -6.938 1.730 315 H ARG 37 H ARG 37 -0.796 -3.073 -3.398 316 HA ARG 37 HA ARG 37 -0.908 -0.738 -1.538 317 1HB ARG 37 1HB ARG 37 0.938 -3.175 -1.495 318 2HB ARG 37 2HB ARG 37 1.358 -1.622 -0.761 319 1HG ARG 37 1HG ARG 37 -0.497 -1.646 0.639 320 2HG ARG 37 2HG ARG 37 -1.126 -3.168 -0.020 321 1HD ARG 37 1HD ARG 37 1.639 -2.922 1.185 322 2HD ARG 37 2HD ARG 37 0.190 -3.085 2.194 323 HE ARG 37 HE ARG 37 0.521 -5.103 0.054 324 1HH1 ARG 37 1HH1 ARG 37 1.179 -4.325 3.422 325 2HH1 ARG 37 2HH1 ARG 37 0.854 -5.913 4.044 326 1HH2 ARG 37 1HH2 ARG 37 0.325 -7.218 0.765 327 2HH2 ARG 37 2HH2 ARG 37 0.388 -7.604 2.493 328 H GLY 38 H GLY 38 1.170 0.527 -1.588 329 1HA GLY 38 1HA GLY 38 2.865 0.274 -3.880 330 2HA GLY 38 2HA GLY 38 1.617 1.454 -4.256 331 H CYS 39 H CYS 39 3.474 2.897 -4.487 332 HA CYS 39 HA CYS 39 4.889 3.778 -2.043 333 1HB CYS 39 1HB CYS 39 5.509 4.001 -5.011 334 2HB CYS 39 2HB CYS 39 6.512 4.597 -3.694 335 H GLY 40 H GLY 40 5.250 6.047 -1.745 336 1HA GLY 40 1HA GLY 40 4.706 8.266 -1.678 337 2HA GLY 40 2HA GLY 40 4.631 8.128 -3.423 338 H CYS 41 H CYS 41 2.822 7.104 -1.015 339 HA CYS 41 HA CYS 41 0.303 6.545 -1.531 340 1HB CYS 41 1HB CYS 41 1.196 6.871 0.747 341 2HB CYS 41 2HB CYS 41 0.975 8.604 0.559 342 HA PRO 42 HA PRO 42 -1.593 10.188 -3.476 343 1HB PRO 42 1HB PRO 42 -2.649 9.051 -5.685 344 2HB PRO 42 2HB PRO 42 -0.913 9.421 -5.571 345 1HG PRO 42 1HG PRO 42 -2.318 6.763 -5.154 346 2HG PRO 42 2HG PRO 42 -0.804 7.065 -6.051 347 1HD PRO 42 1HD PRO 42 -1.022 6.201 -3.379 348 2HD PRO 42 2HD PRO 42 0.440 6.952 -4.088 349 H THR 43 H THR 43 -3.989 10.392 -4.037 350 HA THR 43 HA THR 43 -5.625 8.878 -2.106 351 HB THR 43 HB THR 43 -6.717 10.829 -4.121 352 HG1 THR 43 HG1 THR 43 -5.152 11.430 -1.829 353 1HG2 THR 43 1HG2 THR 43 -7.321 10.287 -1.176 354 2HG2 THR 43 2HG2 THR 43 -8.132 11.496 -2.191 355 3HG2 THR 43 3HG2 THR 43 -8.300 9.774 -2.568 356 H ALA 44 H ALA 44 -7.498 7.603 -2.838 357 HA ALA 44 HA ALA 44 -7.292 6.644 -5.689 358 1HB ALA 44 2HB ALA 44 -7.873 5.058 -3.174 359 2HB ALA 44 3HB ALA 44 -8.091 4.452 -4.828 360 3HB ALA 44 1HB ALA 44 -6.478 4.913 -4.248 361 H MET 45 H MET 45 -9.257 5.963 -6.663 362 HA MET 45 HA MET 45 -11.487 7.745 -5.977 363 1HB MET 45 1HB MET 45 -10.836 5.989 -8.386 364 2HB MET 45 2HB MET 45 -12.250 7.040 -8.243 365 1HG MET 45 2HG MET 45 -10.775 9.013 -7.974 366 2HG MET 45 1HG MET 45 -9.355 7.977 -8.183 367 1HE MET 45 3HE MET 45 -9.873 10.628 -9.827 368 2HE MET 45 2HE MET 45 -8.441 9.585 -10.032 369 3HE MET 45 1HE MET 45 -9.387 10.091 -11.452 370 CH2 TRP 46 CH2 TRP 46 -20.965 4.162 -5.379 371 H TRP 46 H TRP 46 -13.683 6.920 -6.222 372 HA TRP 46 HA TRP 46 -14.237 4.811 -4.431 373 1HB TRP 46 1HB TRP 46 -15.684 6.870 -5.282 374 2HB TRP 46 2HB TRP 46 -16.104 5.812 -6.596 375 HD1 TRP 46 HD1 TRP 46 -16.040 5.272 -2.733 376 HE1 TRP 46 HE1 TRP 46 -18.359 4.363 -2.009 377 HE3 TRP 46 HE3 TRP 46 -18.358 5.434 -7.212 378 HZ2 TRP 46 HZ2 TRP 46 -20.879 3.769 -3.254 379 HZ3 TRP 46 HZ3 TRP 46 -20.748 4.684 -7.463 380 HH2 TRP 46 HH2 TRP 46 -21.995 3.849 -5.482 381 HA PRO 47 HA PRO 47 -15.665 3.017 -4.095 382 1HB PRO 47 2HB PRO 47 -15.967 0.388 -3.862 383 2HB PRO 47 1HB PRO 47 -16.878 1.288 -5.101 384 1HG PRO 47 2HG PRO 47 -14.252 -0.197 -5.502 385 2HG PRO 47 1HG PRO 47 -15.772 -0.417 -6.420 386 1HD PRO 47 1HD PRO 47 -13.774 1.275 -7.275 387 2HD PRO 47 2HD PRO 47 -15.497 1.648 -7.540 388 OH TYR 48 OH TYR 48 -11.432 -2.901 -6.751 389 H TYR 48 H TYR 48 -12.528 3.177 -4.683 390 HA TYR 48 HA TYR 48 -11.638 1.496 -2.379 391 1HB TYR 48 1HB TYR 48 -10.106 2.730 -4.698 392 2HB TYR 48 2HB TYR 48 -9.396 1.859 -3.347 393 HD1 TYR 48 HD2 TYR 48 -9.937 -0.643 -3.094 394 HD2 TYR 48 HD1 TYR 48 -11.171 1.631 -6.544 395 HE1 TYR 48 HE2 TYR 48 -10.485 -2.741 -4.283 396 HE2 TYR 48 HE1 TYR 48 -11.685 -0.481 -7.744 397 HH TYR 48 HH TYR 48 -11.289 -3.687 -6.221 398 H GLN 49 H GLN 49 -9.916 2.367 -1.103 399 HA GLN 49 HA GLN 49 -9.235 5.083 -1.553 400 1HB GLN 49 2HB GLN 49 -11.292 5.250 0.030 401 2HB GLN 49 1HB GLN 49 -10.213 4.564 1.266 402 1HG GLN 49 2HG GLN 49 -10.410 7.109 1.251 403 2HG GLN 49 1HG GLN 49 -8.769 6.467 1.203 404 1HE2 GLN 49 1HE2 GLN 49 -10.287 8.061 -2.299 405 2HE2 GLN 49 2HE2 GLN 49 -11.402 7.589 -1.025 406 H THR 50 H THR 50 -7.367 5.690 -0.594 407 HA THR 50 HA THR 50 -5.577 3.524 0.327 408 HB THR 50 HB THR 50 -3.945 5.619 -0.207 409 HG1 THR 50 HG1 THR 50 -4.784 6.832 -1.847 410 1HG2 THR 50 2HG2 THR 50 -3.892 3.405 -1.282 411 2HG2 THR 50 3HG2 THR 50 -5.201 3.905 -2.377 412 3HG2 THR 50 1HG2 THR 50 -3.621 4.721 -2.441 413 H GLU 51 H GLU 51 -4.187 3.709 2.005 414 HA GLU 51 HA GLU 51 -4.300 6.128 3.733 415 1HB GLU 51 2HB GLU 51 -4.544 5.015 5.730 416 2HB GLU 51 1HB GLU 51 -5.808 4.349 4.709 417 1HG GLU 51 1HG GLU 51 -3.998 2.482 4.186 418 2HG GLU 51 2HG GLU 51 -3.179 3.211 5.560 419 H CYS 52 H CYS 52 -2.281 6.706 4.442 420 HA CYS 52 HA CYS 52 -0.082 5.427 3.004 421 1HB CYS 52 2HB CYS 52 -0.027 7.960 4.611 422 2HB CYS 52 1HB CYS 52 0.984 7.516 3.241 423 H CYS 53 H CYS 53 2.089 5.485 4.052 424 HA CYS 53 HA CYS 53 2.346 5.852 6.906 425 1HB CYS 53 1HB CYS 53 3.181 3.661 7.465 426 2HB CYS 53 2HB CYS 53 1.530 3.511 6.848 427 H LYS 54 H LYS 54 4.795 5.484 7.466 428 HA LYS 54 HA LYS 54 6.567 5.881 5.150 429 1HB LYS 54 1HB LYS 54 7.762 7.437 6.764 430 2HB LYS 54 2HB LYS 54 6.344 8.100 5.936 431 1HG LYS 54 1HG LYS 54 4.993 7.809 7.967 432 2HG LYS 54 2HG LYS 54 6.352 6.999 8.783 433 1HD LYS 54 2HD LYS 54 7.691 9.078 8.630 434 2HD LYS 54 1HD LYS 54 6.387 9.864 7.723 435 1HE LYS 54 2HE LYS 54 6.325 10.584 10.054 436 2HE LYS 54 1HE LYS 54 4.871 9.647 9.676 437 1HZ LYS 54 1HZ LYS 54 7.258 8.621 11.055 438 2HZ LYS 54 3HZ LYS 54 5.835 9.038 11.774 439 3HZ LYS 54 2HZ LYS 54 5.888 7.762 10.735 440 H GLY 55 H GLY 55 8.543 4.866 5.462 441 1HA GLY 55 2HA GLY 55 10.185 3.988 7.100 442 2HA GLY 55 1HA GLY 55 8.863 3.156 7.927 443 H ASP 56 H ASP 56 11.120 1.788 6.953 444 HA ASP 56 HA ASP 56 10.886 0.739 4.312 445 1HB ASP 56 1HB ASP 56 12.402 -1.011 5.201 446 2HB ASP 56 2HB ASP 56 12.981 0.631 5.500 447 NH1 ARG 57 NH1 ARG 57 9.364 -8.068 6.193 448 NH2 ARG 57 NH2 ARG 57 10.562 -7.577 8.116 449 H ARG 57 H ARG 57 9.393 -0.627 3.519 450 HA ARG 57 HA ARG 57 7.461 -1.638 3.394 451 1HB ARG 57 2HB ARG 57 7.575 -3.830 4.080 452 2HB ARG 57 1HB ARG 57 9.158 -3.408 3.476 453 1HG ARG 57 2HG ARG 57 10.152 -3.403 5.653 454 2HG ARG 57 1HG ARG 57 8.583 -3.470 6.474 455 1HD ARG 57 2HD ARG 57 8.133 -5.672 5.539 456 2HD ARG 57 1HD ARG 57 9.687 -5.654 4.667 457 HE ARG 57 HE ARG 57 10.273 -5.198 7.369 458 1HH1 ARG 57 1HH1 ARG 57 8.875 -7.754 5.360 459 2HH1 ARG 57 2HH1 ARG 57 9.441 -9.057 6.374 460 1HH2 ARG 57 2HH2 ARG 57 10.996 -6.898 8.725 461 2HH2 ARG 57 1HH2 ARG 57 10.644 -8.559 8.335 462 H CYS 58 H CYS 58 7.249 0.464 5.339 463 HA CYS 58 HA CYS 58 5.997 -0.327 7.708 464 1HB CYS 58 1HB CYS 58 4.984 1.871 7.690 465 2HB CYS 58 2HB CYS 58 6.664 1.953 7.163 466 H ASN 59 H ASN 59 4.718 -0.212 4.387 467 HA ASN 59 HA ASN 59 1.962 -0.650 5.212 468 1HB ASN 59 1HB ASN 59 1.518 -0.608 2.865 469 2HB ASN 59 2HB ASN 59 2.553 0.757 3.241 470 1HD2 ASN 59 2HD2 ASN 59 3.495 -1.031 0.014 471 2HD2 ASN 59 1HD2 ASN 59 2.318 0.079 0.653 472 H LYS 60 H LYS 60 3.183 -2.611 6.457 473 HA LYS 60 HA LYS 60 3.306 -5.039 4.733 474 1HB LYS 60 2HB LYS 60 4.127 -6.158 6.762 475 2HB LYS 60 1HB LYS 60 5.133 -4.826 6.184 476 1HG LYS 60 1HG LYS 60 4.244 -3.351 7.981 477 2HG LYS 60 2HG LYS 60 3.148 -4.643 8.492 478 1HD LYS 60 2HD LYS 60 5.048 -4.579 9.984 479 2HD LYS 60 1HD LYS 60 5.155 -6.065 9.025 480 1HE LYS 60 1HE LYS 60 6.849 -4.998 7.549 481 2HE LYS 60 2HE LYS 60 6.669 -3.468 8.424 482 1HZ LYS 60 1HZ LYS 60 7.656 -5.996 9.541 483 2HZ LYS 60 2HZ LYS 60 8.572 -4.696 9.114 484 3HZ LYS 60 3HZ LYS 60 7.507 -4.574 10.367 Start of MODEL 17 Raw file had 484 H/Q atoms Start of MODEL 17 1 NH1 ARG 1 NH1 ARG 1 12.058 3.960 5.512 2 NH2 ARG 1 NH2 ARG 1 10.939 5.981 5.693 3 1H ARG 1 2H ARG 1 12.107 4.037 -1.276 4 2H ARG 1 3H ARG 1 12.265 5.231 -0.176 5 3H ARG 1 1H ARG 1 13.427 4.039 -0.311 6 HA ARG 1 HA ARG 1 12.313 3.206 1.461 7 1HB ARG 1 2HB ARG 1 10.742 5.092 1.579 8 2HB ARG 1 1HB ARG 1 9.834 4.457 0.187 9 1HG ARG 1 2HG ARG 1 8.592 4.000 2.145 10 2HG ARG 1 1HG ARG 1 9.238 2.461 1.592 11 1HD ARG 1 1HD ARG 1 9.476 2.555 3.898 12 2HD ARG 1 2HD ARG 1 11.124 2.741 3.297 13 HE ARG 1 HE ARG 1 9.543 5.179 3.889 14 1HH1 ARG 1 1HH1 ARG 1 12.234 3.068 5.061 15 2HH1 ARG 1 2HH1 ARG 1 12.683 4.235 6.255 16 1HH2 ARG 1 1HH2 ARG 1 10.211 6.599 5.340 17 2HH2 ARG 1 2HH2 ARG 1 11.536 6.283 6.448 18 H ILE 2 H ILE 2 11.663 1.023 1.596 19 HA ILE 2 HA ILE 2 11.048 -0.425 -0.885 20 HB ILE 2 HB ILE 2 11.313 -1.226 2.043 21 1HG1 ILE 2 1HG1 ILE 2 13.430 -0.493 0.775 22 2HG1 ILE 2 2HG1 ILE 2 13.451 -2.068 1.568 23 1HG2 ILE 2 1HG2 ILE 2 10.850 -2.952 -0.414 24 2HG2 ILE 2 3HG2 ILE 2 11.395 -3.581 1.162 25 3HG2 ILE 2 2HG2 ILE 2 9.815 -2.809 1.020 26 1HD1 ILE 2 1HD1 ILE 2 12.832 -1.715 -1.385 27 2HD1 ILE 2 3HD1 ILE 2 14.452 -2.029 -0.728 28 3HD1 ILE 2 2HD1 ILE 2 13.169 -3.230 -0.522 29 H CYS 3 H CYS 3 8.878 -0.697 -1.575 30 HA CYS 3 HA CYS 3 6.765 -0.720 0.556 31 1HB CYS 3 1HB CYS 3 6.385 0.659 -2.112 32 2HB CYS 3 2HB CYS 3 5.298 0.591 -0.764 33 OH TYR 4 OH TYR 4 4.115 -7.612 3.767 34 H TYR 4 H TYR 4 5.030 -2.056 0.155 35 HA TYR 4 HA TYR 4 5.481 -4.262 -1.566 36 1HB TYR 4 2HB TYR 4 3.128 -3.137 -0.028 37 2HB TYR 4 1HB TYR 4 2.824 -4.399 -1.198 38 HD1 TYR 4 HD1 TYR 4 5.594 -4.047 1.384 39 HD2 TYR 4 HD2 TYR 4 2.190 -6.270 -0.074 40 HE1 TYR 4 HE1 TYR 4 5.839 -5.697 3.226 41 HE2 TYR 4 HE2 TYR 4 2.418 -7.823 1.808 42 HH TYR 4 HH TYR 4 3.209 -7.582 4.129 43 H SER 5 H SER 5 5.060 -4.650 -3.600 44 HA SER 5 HA SER 5 3.247 -2.908 -5.216 45 1HB SER 5 1HB SER 5 5.029 -5.033 -6.406 46 2HB SER 5 2HB SER 5 4.571 -3.451 -7.044 47 HG SER 5 HG SER 5 6.450 -4.144 -5.038 48 H HIS 6 H HIS 6 2.342 -5.092 -3.299 49 HA HIS 6 HA HIS 6 0.680 -6.675 -5.114 50 1HB HIS 6 1HB HIS 6 1.357 -8.778 -3.869 51 2HB HIS 6 2HB HIS 6 2.591 -8.139 -4.957 52 HD1 HIS 6 HD1 HIS 6 4.375 -6.392 -3.639 53 HD2 HIS 6 HD2 HIS 6 2.679 -9.592 -1.538 54 HE1 HIS 6 HE1 HIS 6 5.705 -6.687 -1.523 55 H LYS 7 H LYS 7 -1.217 -7.362 -4.031 56 HA LYS 7 HA LYS 7 -1.880 -5.801 -1.649 57 1HB LYS 7 2HB LYS 7 -4.125 -6.686 -2.013 58 2HB LYS 7 1HB LYS 7 -3.460 -5.923 -3.447 59 1HG LYS 7 2HG LYS 7 -3.464 -7.786 -4.688 60 2HG LYS 7 1HG LYS 7 -3.016 -8.879 -3.379 61 1HD LYS 7 1HD LYS 7 -5.786 -7.630 -3.432 62 2HD LYS 7 2HD LYS 7 -5.391 -9.007 -4.462 63 1HE LYS 7 2HE LYS 7 -6.385 -9.854 -2.439 64 2HE LYS 7 1HE LYS 7 -4.689 -10.348 -2.492 65 1HZ LYS 7 1HZ LYS 7 -5.778 -8.096 -0.951 66 2HZ LYS 7 3HZ LYS 7 -5.374 -9.570 -0.337 67 3HZ LYS 7 2HZ LYS 7 -4.206 -8.582 -0.942 68 H ALA 8 H ALA 8 -0.840 -9.091 -2.248 69 HA ALA 8 HA ALA 8 -2.158 -10.347 -0.017 70 1HB ALA 8 3HB ALA 8 0.450 -11.047 -1.445 71 2HB ALA 8 2HB ALA 8 -0.434 -12.099 -0.321 72 3HB ALA 8 1HB ALA 8 -1.171 -11.642 -1.871 73 H SER 9 H SER 9 -1.741 -9.961 2.180 74 HA SER 9 HA SER 9 0.456 -8.224 2.904 75 1HB SER 9 1HB SER 9 -0.527 -8.507 5.178 76 2HB SER 9 2HB SER 9 -1.691 -7.956 3.962 77 HG SER 9 HG SER 9 -1.298 -10.626 4.846 78 H LEU 10 H LEU 10 1.926 -9.900 1.871 79 HA LEU 10 HA LEU 10 3.415 -11.260 3.957 80 1HB LEU 10 1HB LEU 10 1.819 -13.038 3.311 81 2HB LEU 10 2HB LEU 10 2.195 -12.765 1.607 82 HG LEU 10 HG LEU 10 4.592 -13.453 2.095 83 1HD1 LEU 10 3HD2 LEU 10 3.370 -14.343 4.751 84 2HD1 LEU 10 2HD2 LEU 10 4.984 -14.780 4.155 85 3HD1 LEU 10 1HD2 LEU 10 4.619 -13.098 4.557 86 1HD2 LEU 10 2HD1 LEU 10 2.394 -15.480 2.670 87 2HD2 LEU 10 3HD1 LEU 10 2.972 -14.980 1.064 88 3HD2 LEU 10 1HD1 LEU 10 4.054 -15.859 2.159 89 HA PRO 11 HA PRO 11 5.941 -8.918 1.053 90 1HB PRO 11 2HB PRO 11 8.193 -10.543 2.244 91 2HB PRO 11 1HB PRO 11 8.119 -8.809 1.793 92 1HG PRO 11 2HG PRO 11 7.763 -9.586 4.405 93 2HG PRO 11 1HG PRO 11 6.699 -8.339 3.692 94 1HD PRO 11 1HD PRO 11 6.135 -11.296 4.037 95 2HD PRO 11 2HD PRO 11 5.082 -9.896 4.395 96 NH1 ARG 12 NH1 ARG 12 5.399 -16.185 -0.678 97 NH2 ARG 12 NH2 ARG 12 6.621 -14.731 0.659 98 H ARG 12 H ARG 12 5.933 -9.369 -0.982 99 HA ARG 12 HA ARG 12 7.158 -11.851 -2.074 100 1HB ARG 12 1HB ARG 12 4.445 -11.590 -1.914 101 2HB ARG 12 2HB ARG 12 4.710 -10.754 -3.435 102 1HG ARG 12 1HG ARG 12 4.510 -12.850 -4.282 103 2HG ARG 12 2HG ARG 12 6.232 -12.950 -3.912 104 1HD ARG 12 1HD ARG 12 3.867 -14.018 -2.306 105 2HD ARG 12 2HD ARG 12 5.173 -14.937 -3.084 106 HE ARG 12 HE ARG 12 6.037 -13.048 -0.997 107 1HH1 ARG 12 2HH1 ARG 12 4.836 -16.336 -1.501 108 2HH1 ARG 12 1HH1 ARG 12 5.566 -16.948 -0.041 109 1HH2 ARG 12 2HH2 ARG 12 6.961 -13.782 0.804 110 2HH2 ARG 12 1HH2 ARG 12 6.823 -15.451 1.335 111 H ALA 13 H ALA 13 5.629 -8.902 -3.346 112 HA ALA 13 HA ALA 13 8.119 -8.330 -4.941 113 1HB ALA 13 1HB ALA 13 5.199 -7.736 -5.579 114 2HB ALA 13 3HB ALA 13 6.606 -7.279 -6.564 115 3HB ALA 13 2HB ALA 13 6.210 -8.991 -6.323 116 H THR 14 H THR 14 8.890 -7.198 -2.904 117 HA THR 14 HA THR 14 7.514 -4.625 -2.356 118 HB THR 14 HB THR 14 9.119 -4.426 -0.578 119 HG1 THR 14 HG1 THR 14 10.714 -5.824 -1.749 120 1HG2 THR 14 3HG2 THR 14 7.025 -5.596 -0.104 121 2HG2 THR 14 1HG2 THR 14 7.788 -7.162 -0.494 122 3HG2 THR 14 2HG2 THR 14 8.336 -6.210 0.897 123 H LYS 15 H LYS 15 8.136 -2.876 -3.547 124 HA LYS 15 HA LYS 15 10.733 -3.057 -5.049 125 1HB LYS 15 2HB LYS 15 9.834 -1.475 -6.604 126 2HB LYS 15 1HB LYS 15 8.749 -2.856 -6.412 127 1HG LYS 15 1HG LYS 15 7.366 -1.433 -4.837 128 2HG LYS 15 2HG LYS 15 8.370 -0.043 -5.272 129 1HD LYS 15 2HD LYS 15 7.756 -0.262 -7.639 130 2HD LYS 15 1HD LYS 15 6.908 -1.776 -7.318 131 1HE LYS 15 2HE LYS 15 6.044 1.009 -6.470 132 2HE LYS 15 1HE LYS 15 5.245 -0.106 -7.580 133 1HZ LYS 15 3HZ LYS 15 5.029 -1.621 -5.656 134 2HZ LYS 15 1HZ LYS 15 5.515 -0.395 -4.679 135 3HZ LYS 15 2HZ LYS 15 4.127 -0.237 -5.551 136 H THR 16 H THR 16 12.294 -1.578 -4.911 137 HA THR 16 HA THR 16 12.395 0.252 -2.685 138 HB THR 16 HB THR 16 14.413 -0.105 -4.940 139 HG1 THR 16 HG1 THR 16 15.187 -1.856 -3.723 140 1HG2 THR 16 3HG2 THR 16 14.866 1.659 -3.223 141 2HG2 THR 16 1HG2 THR 16 14.699 0.438 -1.940 142 3HG2 THR 16 2HG2 THR 16 16.025 0.323 -3.114 143 H CYS 17 H CYS 17 10.859 1.903 -3.120 144 HA CYS 17 HA CYS 17 11.052 3.438 -5.663 145 1HB CYS 17 1HB CYS 17 9.223 3.460 -3.259 146 2HB CYS 17 2HB CYS 17 9.252 4.822 -4.385 147 H VAL 18 H VAL 18 11.248 5.808 -5.542 148 HA VAL 18 HA VAL 18 13.554 6.637 -4.033 149 HB VAL 18 HB VAL 18 11.539 8.222 -5.694 150 1HG1 VAL 18 2HG2 VAL 18 14.340 8.954 -4.732 151 2HG1 VAL 18 1HG2 VAL 18 13.406 9.865 -5.936 152 3HG1 VAL 18 3HG2 VAL 18 12.821 9.757 -4.276 153 1HG2 VAL 18 2HG1 VAL 18 14.234 6.993 -6.436 154 2HG2 VAL 18 1HG1 VAL 18 12.650 6.460 -7.036 155 3HG2 VAL 18 3HG1 VAL 18 13.266 8.054 -7.478 156 H GLU 19 H GLU 19 10.079 6.960 -3.588 157 HA GLU 19 HA GLU 19 9.902 9.089 -1.816 158 1HB GLU 19 2HB GLU 19 8.241 6.535 -1.602 159 2HB GLU 19 1HB GLU 19 7.744 8.181 -1.174 160 1HG GLU 19 1HG GLU 19 8.118 7.001 -3.944 161 2HG GLU 19 2HG GLU 19 6.665 7.668 -3.218 162 H ASN 20 H ASN 20 9.232 9.026 0.485 163 HA ASN 20 HA ASN 20 11.023 7.334 2.168 164 1HB ASN 20 2HB ASN 20 10.978 9.056 3.733 165 2HB ASN 20 1HB ASN 20 11.084 9.933 2.200 166 1HD2 ASN 20 1HD2 ASN 20 8.105 10.871 4.666 167 2HD2 ASN 20 2HD2 ASN 20 9.673 10.238 5.128 168 H THR 21 H THR 21 7.820 7.367 1.054 169 HA THR 21 HA THR 21 6.700 6.128 3.484 170 HB THR 21 HB THR 21 4.606 7.487 2.562 171 HG1 THR 21 HG1 THR 21 6.704 9.283 1.903 172 1HG2 THR 21 1HG2 THR 21 6.798 8.721 4.249 173 2HG2 THR 21 2HG2 THR 21 5.201 9.460 3.997 174 3HG2 THR 21 3HG2 THR 21 5.320 7.883 4.782 175 H CYS 22 H CYS 22 4.596 4.982 2.866 176 HA CYS 22 HA CYS 22 4.412 4.077 0.068 177 1HB CYS 22 1HB CYS 22 4.132 2.184 2.396 178 2HB CYS 22 2HB CYS 22 4.215 1.840 0.686 179 OH TYR 23 OH TYR 23 -1.070 4.656 -5.645 180 H TYR 23 H TYR 23 2.237 3.371 -0.367 181 HA TYR 23 HA TYR 23 0.249 3.915 1.818 182 1HB TYR 23 1HB TYR 23 -1.394 4.458 0.226 183 2HB TYR 23 2HB TYR 23 -0.011 5.500 0.138 184 HD1 TYR 23 HD1 TYR 23 -1.847 2.753 -1.599 185 HD2 TYR 23 HD2 TYR 23 1.257 5.719 -1.902 186 HE1 TYR 23 HE1 TYR 23 -2.194 2.882 -4.053 187 HE2 TYR 23 HE2 TYR 23 0.817 5.941 -4.321 188 HH TYR 23 HH TYR 23 -0.899 5.577 -5.889 189 H LYS 24 H LYS 24 -1.554 2.719 1.826 190 HA LYS 24 HA LYS 24 -1.490 0.032 0.541 191 1HB LYS 24 1HB LYS 24 -2.178 -1.063 2.648 192 2HB LYS 24 2HB LYS 24 -0.552 -0.362 2.715 193 1HG LYS 24 1HG LYS 24 -1.511 1.621 3.948 194 2HG LYS 24 2HG LYS 24 -3.067 0.757 3.996 195 1HD LYS 24 1HD LYS 24 -1.944 -1.158 5.135 196 2HD LYS 24 2HD LYS 24 -0.415 -0.254 5.110 197 1HE LYS 24 2HE LYS 24 -1.495 1.555 6.474 198 2HE LYS 24 1HE LYS 24 -2.978 0.578 6.541 199 1HZ LYS 24 1HZ LYS 24 -1.733 -1.121 7.656 200 2HZ LYS 24 2HZ LYS 24 -0.357 -0.217 7.593 201 3HZ LYS 24 3HZ LYS 24 -1.645 0.303 8.481 202 H MET 25 H MET 25 -3.312 -0.313 -0.494 203 HA MET 25 HA MET 25 -5.596 1.524 -0.067 204 1HB MET 25 1HB MET 25 -4.376 1.648 -2.204 205 2HB MET 25 2HB MET 25 -4.788 -0.047 -2.442 206 1HG MET 25 1HG MET 25 -7.235 0.550 -2.368 207 2HG MET 25 2HG MET 25 -6.769 2.246 -2.317 208 1HE MET 25 2HE MET 25 -4.954 3.081 -4.142 209 2HE MET 25 3HE MET 25 -4.117 1.589 -4.636 210 3HE MET 25 1HE MET 25 -4.995 2.552 -5.842 211 H PHE 26 H PHE 26 -7.611 0.725 0.272 212 HA PHE 26 HA PHE 26 -8.234 -2.160 0.101 213 1HB PHE 26 1HB PHE 26 -9.460 -1.724 2.361 214 2HB PHE 26 2HB PHE 26 -7.731 -2.007 2.377 215 HD1 PHE 26 HD1 PHE 26 -10.322 0.675 2.683 216 HD2 PHE 26 HD2 PHE 26 -6.133 -0.309 2.993 217 HE1 PHE 26 HE1 PHE 26 -9.887 2.842 3.783 218 HE2 PHE 26 HE2 PHE 26 -5.695 1.907 3.978 219 HZ PHE 26 HZ PHE 26 -7.560 3.478 4.422 220 H ILE 27 H ILE 27 -10.764 -2.325 0.484 221 HA ILE 27 HA ILE 27 -12.001 -0.402 -1.373 222 HB ILE 27 HB ILE 27 -13.128 -2.713 0.193 223 1HG1 ILE 27 1HG1 ILE 27 -12.578 -2.365 -2.797 224 2HG1 ILE 27 2HG1 ILE 27 -11.541 -3.251 -1.679 225 1HG2 ILE 27 1HG2 ILE 27 -14.859 -0.939 -0.253 226 2HG2 ILE 27 3HG2 ILE 27 -14.444 -0.991 -1.972 227 3HG2 ILE 27 2HG2 ILE 27 -15.186 -2.392 -1.175 228 1HD1 ILE 27 1HD1 ILE 27 -13.455 -4.788 -1.159 229 2HD1 ILE 27 2HD1 ILE 27 -14.370 -4.005 -2.473 230 3HD1 ILE 27 3HD1 ILE 27 -12.863 -4.856 -2.831 231 NH1 ARG 28 NH2 ARG 28 -18.248 4.794 0.711 232 NH2 ARG 28 NH1 ARG 28 -18.552 3.927 -1.416 233 H ARG 28 H ARG 28 -13.287 1.292 -0.750 234 HA ARG 28 HA ARG 28 -12.787 2.664 1.592 235 1HB ARG 28 2HB ARG 28 -13.805 3.503 -0.528 236 2HB ARG 28 1HB ARG 28 -15.303 2.673 -0.147 237 1HG ARG 28 1HG ARG 28 -15.683 4.130 1.784 238 2HG ARG 28 2HG ARG 28 -14.089 4.881 1.581 239 1HD ARG 28 2HD ARG 28 -15.953 6.285 0.615 240 2HD ARG 28 1HD ARG 28 -14.705 5.837 -0.543 241 HE ARG 28 HE ARG 28 -16.165 4.565 -1.743 242 1HH1 ARG 28 1HH2 ARG 28 -17.642 5.223 1.393 243 2HH1 ARG 28 2HH2 ARG 28 -19.200 4.571 0.963 244 1HH2 ARG 28 2HH1 ARG 28 -18.189 3.713 -2.334 245 2HH2 ARG 28 1HH1 ARG 28 -19.505 3.679 -1.195 246 H THR 29 H THR 29 -15.632 0.737 0.873 247 HA THR 29 HA THR 29 -16.793 0.925 3.527 248 HB THR 29 HB THR 29 -18.297 -0.884 2.514 249 HG1 THR 29 HG1 THR 29 -17.943 -1.356 0.347 250 1HG2 THR 29 3HG2 THR 29 -18.859 1.535 2.354 251 2HG2 THR 29 2HG2 THR 29 -17.909 1.662 0.859 252 3HG2 THR 29 1HG2 THR 29 -19.368 0.653 0.902 253 H HIS 30 H HIS 30 -15.331 -1.749 1.635 254 HA HIS 30 HA HIS 30 -15.156 -3.444 4.038 255 1HB HIS 30 2HB HIS 30 -14.281 -4.148 1.230 256 2HB HIS 30 1HB HIS 30 -14.745 -5.196 2.540 257 HD1 HIS 30 HD1 HIS 30 -17.439 -3.967 3.419 258 HD2 HIS 30 HD2 HIS 30 -16.306 -4.541 -0.568 259 HE1 HIS 30 HE1 HIS 30 -19.565 -3.945 2.026 260 NH1 ARG 31 NH2 ARG 31 -12.357 3.608 4.896 261 NH2 ARG 31 NH1 ARG 31 -10.544 4.307 6.130 262 H ARG 31 H ARG 31 -13.769 -1.715 4.898 263 HA ARG 31 HA ARG 31 -11.165 -1.122 4.017 264 1HB ARG 31 1HB ARG 31 -12.212 -1.253 6.882 265 2HB ARG 31 2HB ARG 31 -10.817 -0.328 6.291 266 1HG ARG 31 2HG ARG 31 -12.354 0.921 4.749 267 2HG ARG 31 1HG ARG 31 -13.733 0.108 5.492 268 1HD ARG 31 1HD ARG 31 -13.745 2.079 6.640 269 2HD ARG 31 2HD ARG 31 -12.909 0.995 7.749 270 HE ARG 31 HE ARG 31 -11.016 2.295 7.540 271 1HH1 ARG 31 1HH2 ARG 31 -13.092 2.940 4.677 272 2HH1 ARG 31 2HH2 ARG 31 -12.196 4.400 4.282 273 1HH2 ARG 31 1HH1 ARG 31 -9.904 4.205 6.903 274 2HH2 ARG 31 2HH1 ARG 31 -10.459 5.085 5.484 275 H GLU 32 H GLU 32 -12.395 -3.837 5.872 276 HA GLU 32 HA GLU 32 -9.847 -4.903 6.688 277 1HB GLU 32 2HB GLU 32 -11.296 -6.814 7.404 278 2HB GLU 32 1HB GLU 32 -11.935 -5.272 7.966 279 1HG GLU 32 2HG GLU 32 -12.957 -6.111 5.267 280 2HG GLU 32 1HG GLU 32 -13.338 -7.211 6.564 281 OH TYR 33 OH TYR 33 -8.788 -7.937 -3.381 282 H TYR 33 H TYR 33 -10.005 -4.495 3.845 283 HA TYR 33 HA TYR 33 -9.025 -7.134 2.955 284 1HB TYR 33 1HB TYR 33 -11.306 -7.335 2.250 285 2HB TYR 33 2HB TYR 33 -11.354 -5.657 1.702 286 HD1 TYR 33 HD1 TYR 33 -9.604 -8.917 0.993 287 HD2 TYR 33 HD2 TYR 33 -10.873 -5.092 -0.519 288 HE1 TYR 33 HE1 TYR 33 -8.712 -9.505 -1.238 289 HE2 TYR 33 HE2 TYR 33 -10.007 -5.691 -2.768 290 HH TYR 33 HH TYR 33 -8.406 -8.814 -3.420 291 H ILE 34 H ILE 34 -7.058 -6.714 2.119 292 HA ILE 34 HA ILE 34 -6.332 -4.000 1.278 293 HB ILE 34 HB ILE 34 -4.745 -6.599 1.138 294 1HG1 ILE 34 2HG1 ILE 34 -5.269 -6.178 3.466 295 2HG1 ILE 34 1HG1 ILE 34 -3.575 -5.828 3.148 296 1HG2 ILE 34 3HG2 ILE 34 -3.900 -3.668 0.894 297 2HG2 ILE 34 1HG2 ILE 34 -2.796 -5.058 0.998 298 3HG2 ILE 34 2HG2 ILE 34 -3.876 -4.886 -0.385 299 1HD1 ILE 34 2HD1 ILE 34 -4.081 -3.383 3.128 300 2HD1 ILE 34 3HD1 ILE 34 -5.789 -3.750 3.476 301 3HD1 ILE 34 1HD1 ILE 34 -4.532 -4.166 4.647 302 H SER 35 H SER 35 -6.552 -3.295 -0.729 303 HA SER 35 HA SER 35 -7.472 -5.079 -2.906 304 1HB SER 35 2HB SER 35 -7.407 -2.046 -2.534 305 2HB SER 35 1HB SER 35 -8.066 -2.908 -3.917 306 HG SER 35 HG SER 35 -8.920 -3.689 -1.360 307 H GLU 36 H GLU 36 -5.023 -2.549 -2.131 308 HA GLU 36 HA GLU 36 -3.114 -3.672 -4.026 309 1HB GLU 36 2HB GLU 36 -4.646 -2.414 -5.521 310 2HB GLU 36 1HB GLU 36 -4.409 -0.950 -4.567 311 1HG GLU 36 1HG GLU 36 -2.091 -0.789 -5.308 312 2HG GLU 36 2HG GLU 36 -2.178 -2.402 -6.055 313 NH1 ARG 37 NH1 ARG 37 0.400 -5.616 2.608 314 NH2 ARG 37 NH2 ARG 37 -0.923 -4.418 4.080 315 H ARG 37 H ARG 37 -1.097 -2.103 -3.994 316 HA ARG 37 HA ARG 37 -0.882 -0.431 -1.614 317 1HB ARG 37 1HB ARG 37 0.485 -3.109 -1.943 318 2HB ARG 37 2HB ARG 37 1.450 -1.760 -1.321 319 1HG ARG 37 1HG ARG 37 0.244 -1.479 0.581 320 2HG ARG 37 2HG ARG 37 -1.229 -2.146 -0.094 321 1HD ARG 37 2HD ARG 37 -0.270 -4.430 -0.010 322 2HD ARG 37 1HD ARG 37 1.147 -3.745 0.822 323 HE ARG 37 HE ARG 37 -1.294 -2.929 2.100 324 1HH1 ARG 37 2HH1 ARG 37 0.814 -5.716 1.697 325 2HH1 ARG 37 1HH1 ARG 37 0.745 -6.206 3.368 326 1HH2 ARG 37 2HH2 ARG 37 -1.549 -3.657 4.282 327 2HH2 ARG 37 1HH2 ARG 37 -0.552 -4.983 4.851 328 H GLY 38 H GLY 38 0.977 0.988 -1.797 329 1HA GLY 38 2HA GLY 38 2.374 0.996 -4.385 330 2HA GLY 38 1HA GLY 38 1.172 2.284 -4.181 331 H CYS 39 H CYS 39 3.493 3.302 -4.566 332 HA CYS 39 HA CYS 39 5.073 3.553 -2.093 333 1HB CYS 39 1HB CYS 39 5.504 4.380 -4.983 334 2HB CYS 39 2HB CYS 39 6.580 4.803 -3.652 335 H GLY 40 H GLY 40 5.435 5.545 -1.077 336 1HA GLY 40 1HA GLY 40 5.195 7.761 -0.637 337 2HA GLY 40 2HA GLY 40 4.213 7.992 -2.077 338 H CYS 41 H CYS 41 2.086 8.291 -1.755 339 HA CYS 41 HA CYS 41 0.515 7.557 0.581 340 1HB CYS 41 1HB CYS 41 2.144 9.402 0.975 341 2HB CYS 41 2HB CYS 41 1.190 10.430 -0.094 342 HA PRO 42 HA PRO 42 -2.873 7.138 -1.872 343 1HB PRO 42 2HB PRO 42 -3.743 10.032 -1.813 344 2HB PRO 42 1HB PRO 42 -4.790 8.595 -1.704 345 1HG PRO 42 2HG PRO 42 -3.819 9.985 0.506 346 2HG PRO 42 1HG PRO 42 -4.235 8.257 0.559 347 1HD PRO 42 2HD PRO 42 -1.618 9.487 0.669 348 2HD PRO 42 1HD PRO 42 -2.047 7.729 0.841 349 H THR 43 H THR 43 -3.843 6.964 -3.594 350 HA THR 43 HA THR 43 -4.257 8.510 -5.817 351 HB THR 43 HB THR 43 -2.731 6.311 -6.960 352 HG1 THR 43 HG1 THR 43 -1.264 8.180 -5.385 353 1HG2 THR 43 3HG2 THR 43 -3.587 8.264 -8.170 354 2HG2 THR 43 1HG2 THR 43 -2.497 9.331 -7.254 355 3HG2 THR 43 2HG2 THR 43 -1.830 8.112 -8.366 356 H ALA 44 H ALA 44 -6.091 7.399 -6.709 357 HA ALA 44 HA ALA 44 -6.606 4.622 -6.459 358 1HB ALA 44 3HB ALA 44 -7.832 6.376 -4.265 359 2HB ALA 44 2HB ALA 44 -8.324 4.712 -4.615 360 3HB ALA 44 1HB ALA 44 -6.713 5.028 -3.992 361 H MET 45 H MET 45 -9.176 4.307 -6.610 362 HA MET 45 HA MET 45 -10.568 6.470 -7.992 363 1HB MET 45 1HB MET 45 -9.945 3.639 -8.965 364 2HB MET 45 2HB MET 45 -11.319 4.577 -9.535 365 1HG MET 45 2HG MET 45 -9.752 6.401 -10.255 366 2HG MET 45 1HG MET 45 -8.389 5.380 -9.792 367 1HE MET 45 2HE MET 45 -7.746 3.162 -10.946 368 2HE MET 45 3HE MET 45 -9.378 2.441 -10.915 369 3HE MET 45 1HE MET 45 -8.480 2.545 -12.444 370 CH2 TRP 46 CH2 TRP 46 -20.386 5.140 -5.453 371 H TRP 46 H TRP 46 -12.934 6.023 -7.805 372 HA TRP 46 HA TRP 46 -13.586 4.885 -5.261 373 1HB TRP 46 1HB TRP 46 -14.814 6.728 -6.751 374 2HB TRP 46 2HB TRP 46 -15.542 5.352 -7.523 375 HD1 TRP 46 HD1 TRP 46 -15.069 6.312 -3.759 376 HE1 TRP 46 HE1 TRP 46 -17.381 6.173 -2.603 377 HE3 TRP 46 HE3 TRP 46 -17.873 5.144 -7.793 378 HZ2 TRP 46 HZ2 TRP 46 -20.096 5.598 -3.360 379 HZ3 TRP 46 HZ3 TRP 46 -20.356 4.775 -7.582 380 HH2 TRP 46 HH2 TRP 46 -21.453 4.998 -5.363 381 HA PRO 47 HA PRO 47 -15.131 3.641 -4.204 382 1HB PRO 47 1HB PRO 47 -16.179 1.461 -3.143 383 2HB PRO 47 2HB PRO 47 -16.902 2.142 -4.623 384 1HG PRO 47 1HG PRO 47 -14.882 -0.127 -4.470 385 2HG PRO 47 2HG PRO 47 -16.466 -0.137 -5.300 386 1HD PRO 47 1HD PRO 47 -14.071 0.504 -6.567 387 2HD PRO 47 2HD PRO 47 -15.646 1.183 -7.061 388 OH TYR 48 OH TYR 48 -10.583 -2.670 -7.011 389 H TYR 48 H TYR 48 -12.200 3.027 -4.799 390 HA TYR 48 HA TYR 48 -11.440 1.448 -2.412 391 1HB TYR 48 1HB TYR 48 -9.765 2.875 -4.503 392 2HB TYR 48 2HB TYR 48 -9.147 1.961 -3.140 393 HD1 TYR 48 HD1 TYR 48 -10.181 -0.574 -3.005 394 HD2 TYR 48 HD2 TYR 48 -9.917 1.808 -6.593 395 HE1 TYR 48 HE1 TYR 48 -10.545 -2.597 -4.386 396 HE2 TYR 48 HE2 TYR 48 -10.219 -0.218 -7.961 397 HH TYR 48 HH TYR 48 -10.559 -2.500 -7.955 398 H GLN 49 H GLN 49 -9.848 2.306 -0.962 399 HA GLN 49 HA GLN 49 -9.421 5.169 -0.895 400 1HB GLN 49 2HB GLN 49 -11.522 4.624 0.609 401 2HB GLN 49 1HB GLN 49 -10.320 3.825 1.645 402 1HG GLN 49 1HG GLN 49 -9.213 6.390 1.069 403 2HG GLN 49 2HG GLN 49 -10.929 6.670 1.316 404 1HE2 GLN 49 2HE2 GLN 49 -8.547 5.951 4.509 405 2HE2 GLN 49 1HE2 GLN 49 -7.875 6.092 2.904 406 H THR 50 H THR 50 -7.507 5.514 0.216 407 HA THR 50 HA THR 50 -6.019 3.161 1.268 408 HB THR 50 HB THR 50 -5.362 3.498 -1.073 409 HG1 THR 50 HG1 THR 50 -3.788 2.948 0.478 410 1HG2 THR 50 2HG2 THR 50 -5.761 6.003 -1.233 411 2HG2 THR 50 1HG2 THR 50 -4.265 6.184 -0.265 412 3HG2 THR 50 3HG2 THR 50 -4.206 5.401 -1.864 413 H GLU 51 H GLU 51 -4.042 3.739 2.276 414 HA GLU 51 HA GLU 51 -3.990 6.372 3.655 415 1HB GLU 51 2HB GLU 51 -4.130 5.642 5.847 416 2HB GLU 51 1HB GLU 51 -5.460 4.814 5.030 417 1HG GLU 51 1HG GLU 51 -3.856 2.810 4.793 418 2HG GLU 51 2HG GLU 51 -2.739 3.746 5.791 419 H CYS 52 H CYS 52 -1.902 6.804 4.676 420 HA CYS 52 HA CYS 52 0.225 5.492 3.163 421 1HB CYS 52 1HB CYS 52 0.647 7.964 4.796 422 2HB CYS 52 2HB CYS 52 1.345 7.464 3.250 423 H CYS 53 H CYS 53 2.350 5.411 4.219 424 HA CYS 53 HA CYS 53 2.604 5.377 7.114 425 1HB CYS 53 2HB CYS 53 3.230 3.072 7.398 426 2HB CYS 53 1HB CYS 53 1.577 3.157 6.780 427 H LYS 54 H LYS 54 4.996 4.789 7.688 428 HA LYS 54 HA LYS 54 6.862 5.070 5.459 429 1HB LYS 54 1HB LYS 54 8.172 6.489 7.130 430 2HB LYS 54 2HB LYS 54 6.924 7.281 6.181 431 1HG LYS 54 2HG LYS 54 5.402 7.244 8.142 432 2HG LYS 54 1HG LYS 54 6.612 6.330 9.061 433 1HD LYS 54 2HD LYS 54 6.729 8.648 9.720 434 2HD LYS 54 1HD LYS 54 8.208 8.249 8.830 435 1HE LYS 54 2HE LYS 54 7.343 9.380 6.821 436 2HE LYS 54 1HE LYS 54 5.774 9.644 7.609 437 1HZ LYS 54 3HZ LYS 54 8.344 10.772 8.470 438 2HZ LYS 54 1HZ LYS 54 7.149 11.578 7.672 439 3HZ LYS 54 2HZ LYS 54 6.889 11.026 9.201 440 H GLY 55 H GLY 55 8.849 4.099 5.979 441 1HA GLY 55 1HA GLY 55 10.238 2.860 7.599 442 2HA GLY 55 2HA GLY 55 8.760 2.078 8.201 443 H ASP 56 H ASP 56 11.300 1.180 6.475 444 HA ASP 56 HA ASP 56 10.391 0.481 3.897 445 1HB ASP 56 2HB ASP 56 12.504 -0.671 5.745 446 2HB ASP 56 1HB ASP 56 12.230 -1.285 4.114 447 NH1 ARG 57 NH1 ARG 57 10.557 -8.387 3.497 448 NH2 ARG 57 NH2 ARG 57 10.725 -7.594 1.332 449 H ARG 57 H ARG 57 9.120 -0.956 3.094 450 HA ARG 57 HA ARG 57 7.233 -2.206 3.025 451 1HB ARG 57 1HB ARG 57 7.515 -4.542 3.884 452 2HB ARG 57 2HB ARG 57 8.672 -3.971 2.697 453 1HG ARG 57 2HG ARG 57 10.399 -3.756 4.425 454 2HG ARG 57 1HG ARG 57 9.210 -4.169 5.683 455 1HD ARG 57 1HD ARG 57 10.622 -6.084 5.106 456 2HD ARG 57 2HD ARG 57 8.913 -6.395 4.735 457 HE ARG 57 HE ARG 57 10.160 -5.385 2.391 458 1HH1 ARG 57 2HH1 ARG 57 10.373 -8.218 4.474 459 2HH1 ARG 57 1HH1 ARG 57 10.800 -9.318 3.192 460 1HH2 ARG 57 2HH2 ARG 57 10.595 -6.862 0.636 461 2HH2 ARG 57 1HH2 ARG 57 10.992 -8.510 1.007 462 H CYS 58 H CYS 58 7.017 -0.169 4.993 463 HA CYS 58 HA CYS 58 5.863 -1.123 7.376 464 1HB CYS 58 1HB CYS 58 4.759 1.048 7.479 465 2HB CYS 58 2HB CYS 58 6.472 1.172 7.126 466 H ASN 59 H ASN 59 4.533 -0.941 4.073 467 HA ASN 59 HA ASN 59 1.779 -1.421 4.983 468 1HB ASN 59 1HB ASN 59 1.377 -1.555 2.527 469 2HB ASN 59 2HB ASN 59 1.921 0.014 3.128 470 1HD2 ASN 59 1HD2 ASN 59 3.554 -0.383 -0.061 471 2HD2 ASN 59 2HD2 ASN 59 2.076 0.171 0.599 472 H LYS 60 H LYS 60 2.783 -3.149 6.240 473 HA LYS 60 HA LYS 60 3.734 -5.580 5.092 474 1HB LYS 60 1HB LYS 60 2.585 -4.947 7.841 475 2HB LYS 60 2HB LYS 60 3.323 -6.496 7.387 476 1HG LYS 60 1HG LYS 60 5.415 -5.318 6.757 477 2HG LYS 60 2HG LYS 60 4.689 -3.788 7.297 478 1HD LYS 60 2HD LYS 60 4.593 -4.525 9.583 479 2HD LYS 60 1HD LYS 60 5.022 -6.186 9.136 480 1HE LYS 60 2HE LYS 60 6.957 -4.927 10.100 481 2HE LYS 60 1HE LYS 60 7.259 -5.522 8.458 482 1HZ LYS 60 3HZ LYS 60 6.465 -2.777 9.129 483 2HZ LYS 60 1HZ LYS 60 7.991 -3.272 8.747 484 3HZ LYS 60 2HZ LYS 60 6.796 -3.356 7.619 Start of MODEL 18 Raw file had 484 H/Q atoms Start of MODEL 18 1 NH1 ARG 1 NH2 ARG 1 10.389 5.457 4.237 2 NH2 ARG 1 NH1 ARG 1 8.629 4.828 2.923 3 1H ARG 1 1H ARG 1 11.443 4.131 -0.531 4 2H ARG 1 3H ARG 1 11.056 4.176 1.074 5 3H ARG 1 2H ARG 1 12.233 5.148 0.461 6 HA ARG 1 HA ARG 1 13.520 3.015 -0.120 7 1HB ARG 1 1HB ARG 1 14.022 2.254 2.189 8 2HB ARG 1 2HB ARG 1 14.364 3.879 1.702 9 1HG ARG 1 2HG ARG 1 13.663 3.855 3.937 10 2HG ARG 1 1HG ARG 1 12.594 4.843 2.959 11 1HD ARG 1 1HD ARG 1 11.904 1.945 3.642 12 2HD ARG 1 2HD ARG 1 11.677 3.195 4.833 13 HE ARG 1 HE ARG 1 9.917 2.656 2.681 14 1HH1 ARG 1 2HH2 ARG 1 11.278 5.278 4.677 15 2HH1 ARG 1 1HH2 ARG 1 9.921 6.348 4.382 16 1HH2 ARG 1 1HH1 ARG 1 8.147 4.184 2.317 17 2HH2 ARG 1 2HH1 ARG 1 8.212 5.724 3.146 18 H ILE 2 H ILE 2 12.659 1.004 1.989 19 HA ILE 2 HA ILE 2 11.618 -0.838 0.063 20 HB ILE 2 HB ILE 2 11.857 -0.968 3.101 21 1HG1 ILE 2 1HG1 ILE 2 13.983 -0.809 1.690 22 2HG1 ILE 2 2HG1 ILE 2 13.854 -2.158 2.818 23 1HG2 ILE 2 3HG2 ILE 2 11.071 -3.174 1.147 24 2HG2 ILE 2 2HG2 ILE 2 11.643 -3.464 2.808 25 3HG2 ILE 2 1HG2 ILE 2 10.152 -2.571 2.531 26 1HD1 ILE 2 2HD1 ILE 2 13.154 -2.425 -0.126 27 2HD1 ILE 2 3HD1 ILE 2 14.759 -2.762 0.557 28 3HD1 ILE 2 1HD1 ILE 2 13.363 -3.724 1.066 29 H CYS 3 H CYS 3 9.553 -1.160 -0.596 30 HA CYS 3 HA CYS 3 7.290 -0.669 1.261 31 1HB CYS 3 2HB CYS 3 7.494 0.451 -1.568 32 2HB CYS 3 1HB CYS 3 6.065 0.489 -0.540 33 OH TYR 4 OH TYR 4 6.915 -7.441 4.355 34 H TYR 4 H TYR 4 5.432 -1.895 0.717 35 HA TYR 4 HA TYR 4 5.937 -4.198 -1.068 36 1HB TYR 4 2HB TYR 4 3.754 -3.473 0.905 37 2HB TYR 4 1HB TYR 4 3.720 -4.891 -0.135 38 HD1 TYR 4 HD1 TYR 4 7.128 -4.688 0.766 39 HD2 TYR 4 HD2 TYR 4 3.237 -5.626 2.395 40 HE1 TYR 4 HE1 TYR 4 8.173 -6.177 2.398 41 HE2 TYR 4 HE2 TYR 4 4.322 -7.055 4.106 42 HH TYR 4 HH TYR 4 7.867 -7.496 4.253 43 H SER 5 H SER 5 4.246 -4.740 -2.663 44 HA SER 5 HA SER 5 2.552 -2.447 -3.548 45 1HB SER 5 1HB SER 5 4.599 -3.897 -5.268 46 2HB SER 5 2HB SER 5 3.418 -2.687 -5.834 47 HG SER 5 HG SER 5 4.663 -1.652 -3.737 48 H HIS 6 H HIS 6 3.205 -5.892 -3.530 49 HA HIS 6 HA HIS 6 1.344 -6.935 -5.239 50 1HB HIS 6 1HB HIS 6 1.365 -8.883 -3.637 51 2HB HIS 6 2HB HIS 6 2.969 -8.267 -3.997 52 HD1 HIS 6 HD1 HIS 6 0.600 -6.791 -1.334 53 HD2 HIS 6 HD2 HIS 6 4.207 -8.913 -1.634 54 HE1 HIS 6 HE1 HIS 6 1.599 -6.900 0.986 55 H LYS 7 H LYS 7 -0.633 -8.078 -4.854 56 HA LYS 7 HA LYS 7 -2.642 -6.526 -3.446 57 1HB LYS 7 2HB LYS 7 -4.169 -8.411 -4.090 58 2HB LYS 7 1HB LYS 7 -3.370 -7.578 -5.405 59 1HG LYS 7 2HG LYS 7 -3.444 -9.875 -5.946 60 2HG LYS 7 1HG LYS 7 -1.777 -9.427 -5.718 61 1HD LYS 7 2HD LYS 7 -2.204 -11.629 -4.796 62 2HD LYS 7 1HD LYS 7 -1.748 -10.544 -3.497 63 1HE LYS 7 2HE LYS 7 -3.603 -12.027 -2.842 64 2HE LYS 7 1HE LYS 7 -4.147 -10.352 -2.818 65 1HZ LYS 7 2HZ LYS 7 -4.629 -12.258 -4.995 66 2HZ LYS 7 3HZ LYS 7 -5.723 -11.796 -3.852 67 3HZ LYS 7 1HZ LYS 7 -5.161 -10.697 -4.941 68 H ALA 8 H ALA 8 -4.026 -7.795 -1.759 69 HA ALA 8 HA ALA 8 -2.884 -8.227 0.630 70 1HB ALA 8 3HB ALA 8 -5.302 -8.330 0.192 71 2HB ALA 8 1HB ALA 8 -5.116 -9.960 -0.490 72 3HB ALA 8 2HB ALA 8 -4.769 -9.669 1.229 73 H SER 9 H SER 9 -0.812 -9.126 0.649 74 HA SER 9 HA SER 9 -0.557 -12.011 1.013 75 1HB SER 9 2HB SER 9 0.945 -12.450 -0.785 76 2HB SER 9 1HB SER 9 -0.571 -11.866 -1.450 77 HG SER 9 HG SER 9 0.360 -9.790 -1.622 78 H LEU 10 H LEU 10 2.250 -11.278 0.160 79 HA LEU 10 HA LEU 10 3.372 -9.636 2.181 80 1HB LEU 10 2HB LEU 10 2.722 -11.148 3.839 81 2HB LEU 10 1HB LEU 10 3.168 -12.560 2.915 82 HG LEU 10 HG LEU 10 5.600 -11.920 3.189 83 1HD1 LEU 10 1HD2 LEU 10 4.436 -9.716 4.954 84 2HD1 LEU 10 3HD2 LEU 10 6.150 -10.176 4.877 85 3HD1 LEU 10 2HD2 LEU 10 5.359 -9.487 3.454 86 1HD2 LEU 10 3HD1 LEU 10 4.501 -13.482 4.750 87 2HD2 LEU 10 1HD1 LEU 10 5.721 -12.495 5.574 88 3HD2 LEU 10 2HD1 LEU 10 3.996 -12.118 5.771 89 HA PRO 11 HA PRO 11 6.821 -11.559 -0.384 90 1HB PRO 11 2HB PRO 11 6.597 -13.938 -1.688 91 2HB PRO 11 1HB PRO 11 6.933 -13.852 0.061 92 1HG PRO 11 2HG PRO 11 4.232 -14.224 -1.293 93 2HG PRO 11 1HG PRO 11 4.940 -15.234 0.004 94 1HD PRO 11 2HD PRO 11 3.185 -13.212 0.567 95 2HD PRO 11 1HD PRO 11 4.599 -13.532 1.621 96 NH1 ARG 12 NH2 ARG 12 4.282 -14.426 -8.459 97 NH2 ARG 12 NH1 ARG 12 3.592 -13.387 -10.411 98 H ARG 12 H ARG 12 7.276 -11.731 -2.737 99 HA ARG 12 HA ARG 12 6.880 -11.638 -4.958 100 1HB ARG 12 2HB ARG 12 4.541 -12.610 -4.496 101 2HB ARG 12 1HB ARG 12 3.935 -10.955 -4.599 102 1HG ARG 12 2HG ARG 12 5.005 -10.856 -6.941 103 2HG ARG 12 1HG ARG 12 5.452 -12.550 -6.721 104 1HD ARG 12 1HD ARG 12 3.020 -13.127 -6.438 105 2HD ARG 12 2HD ARG 12 2.615 -11.424 -6.625 106 HE ARG 12 HE ARG 12 2.859 -11.559 -8.882 107 1HH1 ARG 12 2HH2 ARG 12 4.382 -14.408 -7.456 108 2HH1 ARG 12 1HH2 ARG 12 4.612 -15.226 -8.978 109 1HH2 ARG 12 2HH1 ARG 12 3.166 -12.599 -10.877 110 2HH2 ARG 12 1HH1 ARG 12 3.916 -14.169 -10.960 111 H ALA 13 H ALA 13 4.624 -9.350 -5.563 112 HA ALA 13 HA ALA 13 6.529 -7.445 -6.299 113 1HB ALA 13 1HB ALA 13 4.350 -7.634 -7.351 114 2HB ALA 13 2HB ALA 13 3.545 -7.099 -5.869 115 3HB ALA 13 3HB ALA 13 4.606 -5.987 -6.749 116 H THR 14 H THR 14 7.898 -6.742 -4.828 117 HA THR 14 HA THR 14 7.051 -4.786 -2.841 118 HB THR 14 HB THR 14 8.701 -5.859 -1.239 119 HG1 THR 14 HG1 THR 14 8.482 -8.061 -3.048 120 1HG2 THR 14 3HG2 THR 14 6.189 -6.387 -1.060 121 2HG2 THR 14 1HG2 THR 14 6.506 -7.864 -1.970 122 3HG2 THR 14 2HG2 THR 14 7.271 -7.622 -0.398 123 H LYS 15 H LYS 15 8.835 -3.157 -2.658 124 HA LYS 15 HA LYS 15 11.215 -3.642 -4.321 125 1HB LYS 15 1HB LYS 15 10.728 -1.678 -5.792 126 2HB LYS 15 2HB LYS 15 9.681 -3.066 -6.055 127 1HG LYS 15 2HG LYS 15 7.851 -1.940 -4.746 128 2HG LYS 15 1HG LYS 15 8.959 -0.614 -4.387 129 1HD LYS 15 1HD LYS 15 7.779 0.297 -6.109 130 2HD LYS 15 2HD LYS 15 9.152 -0.355 -6.999 131 1HE LYS 15 2HE LYS 15 6.358 -1.587 -6.708 132 2HE LYS 15 1HE LYS 15 7.003 -0.774 -8.139 133 1HZ LYS 15 3HZ LYS 15 8.664 -2.518 -8.271 134 2HZ LYS 15 2HZ LYS 15 7.954 -3.299 -7.002 135 3HZ LYS 15 1HZ LYS 15 7.126 -3.096 -8.408 136 H THR 16 H THR 16 12.677 -1.871 -4.392 137 HA THR 16 HA THR 16 12.763 -0.314 -1.853 138 HB THR 16 HB THR 16 15.027 -1.024 -3.770 139 HG1 THR 16 HG1 THR 16 14.060 -2.861 -2.737 140 1HG2 THR 16 1HG2 THR 16 14.999 -0.028 -0.877 141 2HG2 THR 16 3HG2 THR 16 16.439 -0.453 -1.821 142 3HG2 THR 16 2HG2 THR 16 15.458 0.943 -2.297 143 H CYS 17 H CYS 17 11.452 1.431 -2.561 144 HA CYS 17 HA CYS 17 12.187 2.817 -5.115 145 1HB CYS 17 1HB CYS 17 9.757 2.671 -3.386 146 2HB CYS 17 2HB CYS 17 10.180 4.232 -4.134 147 H VAL 18 H VAL 18 12.545 5.053 -5.068 148 HA VAL 18 HA VAL 18 14.369 6.041 -3.172 149 HB VAL 18 HB VAL 18 13.765 8.242 -4.367 150 1HG1 VAL 18 3HG1 VAL 18 15.737 6.854 -4.948 151 2HG1 VAL 18 2HG1 VAL 18 14.729 5.850 -6.012 152 3HG1 VAL 18 1HG1 VAL 18 15.021 7.556 -6.408 153 1HG2 VAL 18 1HG2 VAL 18 11.503 7.600 -5.179 154 2HG2 VAL 18 2HG2 VAL 18 12.591 8.218 -6.425 155 3HG2 VAL 18 3HG2 VAL 18 12.267 6.487 -6.337 156 H GLU 19 H GLU 19 10.889 6.377 -3.117 157 HA GLU 19 HA GLU 19 10.484 8.876 -2.049 158 1HB GLU 19 1HB GLU 19 8.663 6.908 -1.017 159 2HB GLU 19 2HB GLU 19 8.277 8.136 -2.223 160 1HG GLU 19 2HG GLU 19 7.682 6.266 -3.239 161 2HG GLU 19 1HG GLU 19 9.276 6.238 -3.850 162 H ASN 20 H ASN 20 9.563 9.403 0.000 163 HA ASN 20 HA ASN 20 10.925 8.200 2.332 164 1HB ASN 20 1HB ASN 20 10.308 10.129 3.496 165 2HB ASN 20 2HB ASN 20 10.761 10.745 1.901 166 1HD2 ASN 20 1HD2 ASN 20 7.249 11.841 3.318 167 2HD2 ASN 20 2HD2 ASN 20 8.740 11.560 4.192 168 H THR 21 H THR 21 7.870 8.094 0.576 169 HA THR 21 HA THR 21 6.497 6.834 2.887 170 HB THR 21 HB THR 21 4.478 7.727 1.507 171 HG1 THR 21 HG1 THR 21 6.437 9.663 0.802 172 1HG2 THR 21 2HG2 THR 21 6.251 9.528 3.201 173 2HG2 THR 21 3HG2 THR 21 4.580 9.909 2.729 174 3HG2 THR 21 1HG2 THR 21 4.915 8.498 3.748 175 H CYS 22 H CYS 22 5.064 5.234 2.505 176 HA CYS 22 HA CYS 22 5.004 3.894 -0.148 177 1HB CYS 22 1HB CYS 22 4.492 2.482 2.479 178 2HB CYS 22 2HB CYS 22 4.747 1.832 0.866 179 OH TYR 23 OH TYR 23 -0.025 2.536 -6.030 180 H TYR 23 H TYR 23 2.831 3.115 -0.552 181 HA TYR 23 HA TYR 23 0.749 4.070 1.383 182 1HB TYR 23 1HB TYR 23 -0.755 4.474 -0.377 183 2HB TYR 23 2HB TYR 23 0.747 5.313 -0.678 184 HD1 TYR 23 HD2 TYR 23 2.193 4.577 -2.632 185 HD2 TYR 23 HD1 TYR 23 -1.502 2.556 -1.731 186 HE1 TYR 23 HE2 TYR 23 1.918 4.002 -5.028 187 HE2 TYR 23 HE1 TYR 23 -1.694 1.848 -4.087 188 HH TYR 23 HH TYR 23 -0.741 1.917 -6.187 189 H LYS 24 H LYS 24 -1.144 3.016 1.378 190 HA LYS 24 HA LYS 24 -1.169 0.144 0.643 191 1HB LYS 24 1HB LYS 24 -2.380 -0.195 2.905 192 2HB LYS 24 2HB LYS 24 -0.605 -0.121 2.868 193 1HG LYS 24 1HG LYS 24 -0.524 2.017 3.844 194 2HG LYS 24 2HG LYS 24 -2.202 2.364 3.426 195 1HD LYS 24 1HD LYS 24 -1.989 2.030 5.803 196 2HD LYS 24 2HD LYS 24 -3.043 0.805 5.097 197 1HE LYS 24 1HE LYS 24 -0.101 0.339 5.797 198 2HE LYS 24 2HE LYS 24 -1.438 0.031 6.905 199 1HZ LYS 24 3HZ LYS 24 -2.355 -1.513 5.380 200 2HZ LYS 24 1HZ LYS 24 -1.135 -1.286 4.307 201 3HZ LYS 24 2HZ LYS 24 -0.824 -1.973 5.749 202 H MET 25 H MET 25 -3.094 -0.388 -0.264 203 HA MET 25 HA MET 25 -5.261 1.667 -0.316 204 1HB MET 25 2HB MET 25 -3.942 1.636 -2.362 205 2HB MET 25 1HB MET 25 -4.311 -0.084 -2.510 206 1HG MET 25 1HG MET 25 -6.628 0.347 -2.897 207 2HG MET 25 2HG MET 25 -6.496 2.005 -2.308 208 1HE MET 25 2HE MET 25 -5.852 -0.434 -5.246 209 2HE MET 25 1HE MET 25 -5.098 0.617 -6.464 210 3HE MET 25 3HE MET 25 -4.188 0.167 -5.004 211 H PHE 26 H PHE 26 -7.359 0.987 -0.057 212 HA PHE 26 HA PHE 26 -7.958 -1.907 -0.045 213 1HB PHE 26 1HB PHE 26 -9.267 -1.467 2.127 214 2HB PHE 26 2HB PHE 26 -7.528 -1.666 2.214 215 HD1 PHE 26 HD1 PHE 26 -10.173 0.999 2.214 216 HD2 PHE 26 HD2 PHE 26 -6.096 -0.064 3.137 217 HE1 PHE 26 HE1 PHE 26 -9.977 2.987 3.692 218 HE2 PHE 26 HE2 PHE 26 -5.906 1.921 4.577 219 HZ PHE 26 HZ PHE 26 -7.810 3.505 4.800 220 H ILE 27 H ILE 27 -10.150 -2.380 -0.407 221 HA ILE 27 HA ILE 27 -11.631 -0.363 -1.888 222 HB ILE 27 HB ILE 27 -12.410 -3.084 -0.769 223 1HG1 ILE 27 2HG1 ILE 27 -11.756 -2.048 -3.579 224 2HG1 ILE 27 1HG1 ILE 27 -10.707 -3.053 -2.570 225 1HG2 ILE 27 1HG2 ILE 27 -14.423 -1.625 -0.944 226 2HG2 ILE 27 2HG2 ILE 27 -14.000 -1.253 -2.627 227 3HG2 ILE 27 3HG2 ILE 27 -14.458 -2.901 -2.140 228 1HD1 ILE 27 3HD1 ILE 27 -12.503 -4.826 -2.586 229 2HD1 ILE 27 1HD1 ILE 27 -13.355 -3.855 -3.817 230 3HD1 ILE 27 2HD1 ILE 27 -11.738 -4.488 -4.157 231 NH1 ARG 28 NH2 ARG 28 -19.255 3.835 0.933 232 NH2 ARG 28 NH1 ARG 28 -19.078 1.557 0.537 233 H ARG 28 H ARG 28 -13.051 1.113 -1.054 234 HA ARG 28 HA ARG 28 -12.843 1.905 1.648 235 1HB ARG 28 1HB ARG 28 -13.609 3.354 -0.226 236 2HB ARG 28 2HB ARG 28 -15.107 2.436 -0.319 237 1HG ARG 28 1HG ARG 28 -14.771 3.291 2.438 238 2HG ARG 28 2HG ARG 28 -14.380 4.664 1.419 239 1HD ARG 28 1HD ARG 28 -16.769 4.551 2.127 240 2HD ARG 28 2HD ARG 28 -16.544 4.631 0.372 241 HE ARG 28 HE ARG 28 -16.692 1.895 1.093 242 1HH1 ARG 28 2HH2 ARG 28 -18.813 4.712 1.162 243 2HH1 ARG 28 1HH2 ARG 28 -20.246 3.814 0.745 244 1HH2 ARG 28 1HH1 ARG 28 -18.491 0.742 0.378 245 2HH2 ARG 28 2HH1 ARG 28 -20.073 1.483 0.385 246 H THR 29 H THR 29 -15.431 0.055 0.060 247 HA THR 29 HA THR 29 -17.105 -0.351 2.267 248 HB THR 29 HB THR 29 -16.657 -2.336 0.003 249 HG1 THR 29 HG1 THR 29 -17.797 -0.923 -1.303 250 1HG2 THR 29 3HG2 THR 29 -19.182 -1.300 1.392 251 2HG2 THR 29 1HG2 THR 29 -19.142 -2.466 0.053 252 3HG2 THR 29 2HG2 THR 29 -18.453 -2.901 1.623 253 H HIS 30 H HIS 30 -13.956 -1.750 1.665 254 HA HIS 30 HA HIS 30 -14.314 -3.691 3.890 255 1HB HIS 30 1HB HIS 30 -12.805 -4.227 1.303 256 2HB HIS 30 2HB HIS 30 -12.979 -5.319 2.679 257 HD1 HIS 30 HD1 HIS 30 -16.239 -4.528 2.819 258 HD2 HIS 30 HD2 HIS 30 -14.053 -6.135 -0.380 259 HE1 HIS 30 HE1 HIS 30 -17.882 -5.750 1.315 260 NH1 ARG 31 NH1 ARG 31 -16.309 2.795 6.781 261 NH2 ARG 31 NH2 ARG 31 -16.496 2.225 4.533 262 H ARG 31 H ARG 31 -13.498 -1.178 4.377 263 HA ARG 31 HA ARG 31 -10.872 -0.503 3.922 264 1HB ARG 31 1HB ARG 31 -11.110 0.891 5.974 265 2HB ARG 31 2HB ARG 31 -12.434 1.018 4.831 266 1HG ARG 31 1HG ARG 31 -13.545 -0.875 6.446 267 2HG ARG 31 2HG ARG 31 -12.377 -0.223 7.588 268 1HD ARG 31 1HD ARG 31 -14.544 0.883 7.804 269 2HD ARG 31 2HD ARG 31 -13.364 2.062 7.182 270 HE ARG 31 HE ARG 31 -14.487 0.919 4.909 271 1HH1 ARG 31 2HH1 ARG 31 -15.803 2.720 7.650 272 2HH1 ARG 31 1HH1 ARG 31 -17.138 3.368 6.734 273 1HH2 ARG 31 2HH2 ARG 31 -16.097 1.721 3.747 274 2HH2 ARG 31 1HH2 ARG 31 -17.332 2.776 4.410 275 H GLU 32 H GLU 32 -12.070 -2.711 6.408 276 HA GLU 32 HA GLU 32 -9.420 -3.033 7.622 277 1HB GLU 32 2HB GLU 32 -11.712 -3.150 8.789 278 2HB GLU 32 1HB GLU 32 -11.879 -4.767 8.081 279 1HG GLU 32 2HG GLU 32 -9.790 -5.461 9.267 280 2HG GLU 32 1HG GLU 32 -9.605 -3.816 9.894 281 OH TYR 33 OH TYR 33 -7.838 -9.417 -0.721 282 H TYR 33 H TYR 33 -9.188 -3.495 4.915 283 HA TYR 33 HA TYR 33 -8.071 -6.164 4.833 284 1HB TYR 33 1HB TYR 33 -10.339 -6.772 4.245 285 2HB TYR 33 2HB TYR 33 -10.457 -5.434 3.107 286 HD1 TYR 33 HD1 TYR 33 -8.344 -8.495 3.710 287 HD2 TYR 33 HD2 TYR 33 -10.116 -5.811 0.838 288 HE1 TYR 33 HE1 TYR 33 -7.478 -9.897 1.864 289 HE2 TYR 33 HE2 TYR 33 -9.226 -7.201 -1.008 290 HH TYR 33 HH TYR 33 -7.407 -10.218 -0.418 291 H ILE 34 H ILE 34 -6.076 -5.392 4.240 292 HA ILE 34 HA ILE 34 -5.815 -3.074 2.482 293 HB ILE 34 HB ILE 34 -3.648 -5.003 3.390 294 1HG1 ILE 34 1HG1 ILE 34 -4.705 -4.255 5.415 295 2HG1 ILE 34 2HG1 ILE 34 -3.169 -3.439 5.208 296 1HG2 ILE 34 1HG2 ILE 34 -3.622 -2.095 2.438 297 2HG2 ILE 34 2HG2 ILE 34 -2.203 -3.015 2.995 298 3HG2 ILE 34 3HG2 ILE 34 -3.061 -3.487 1.522 299 1HD1 ILE 34 2HD1 ILE 34 -4.376 -1.381 4.437 300 2HD1 ILE 34 3HD1 ILE 34 -5.926 -2.226 4.672 301 3HD1 ILE 34 1HD1 ILE 34 -4.871 -1.900 6.052 302 H SER 35 H SER 35 -6.366 -3.339 0.445 303 HA SER 35 HA SER 35 -6.572 -6.005 -0.742 304 1HB SER 35 1HB SER 35 -7.223 -3.279 -1.930 305 2HB SER 35 2HB SER 35 -7.807 -4.860 -2.469 306 HG SER 35 HG SER 35 -8.323 -4.302 0.209 307 H GLU 36 H GLU 36 -4.872 -2.907 -1.441 308 HA GLU 36 HA GLU 36 -2.776 -4.345 -2.979 309 1HB GLU 36 2HB GLU 36 -4.532 -2.058 -3.947 310 2HB GLU 36 1HB GLU 36 -2.872 -2.224 -4.516 311 1HG GLU 36 1HG GLU 36 -4.215 -3.276 -6.141 312 2HG GLU 36 2HG GLU 36 -3.327 -4.531 -5.270 313 NH1 ARG 37 NH2 ARG 37 -1.458 -5.813 1.923 314 NH2 ARG 37 NH1 ARG 37 -2.478 -5.781 -0.145 315 H ARG 37 H ARG 37 -0.955 -2.670 -3.417 316 HA ARG 37 HA ARG 37 -0.640 -0.647 -1.295 317 1HB ARG 37 1HB ARG 37 0.935 -3.240 -1.583 318 2HB ARG 37 2HB ARG 37 1.718 -1.795 -0.956 319 1HG ARG 37 1HG ARG 37 0.818 -1.846 1.009 320 2HG ARG 37 2HG ARG 37 -0.778 -2.305 0.465 321 1HD ARG 37 2HD ARG 37 1.554 -4.255 0.617 322 2HD ARG 37 1HD ARG 37 0.341 -4.021 1.865 323 HE ARG 37 HE ARG 37 -0.346 -4.838 -0.951 324 1HH1 ARG 37 1HH2 ARG 37 -0.677 -5.606 2.558 325 2HH1 ARG 37 2HH2 ARG 37 -2.277 -6.239 2.326 326 1HH2 ARG 37 2HH1 ARG 37 -2.464 -5.574 -1.133 327 2HH2 ARG 37 1HH1 ARG 37 -3.335 -6.133 0.272 328 H GLY 38 H GLY 38 1.601 0.405 -1.598 329 1HA GLY 38 2HA GLY 38 3.058 -0.107 -3.976 330 2HA GLY 38 1HA GLY 38 1.949 1.183 -4.357 331 H CYS 39 H CYS 39 4.266 1.870 -4.785 332 HA CYS 39 HA CYS 39 5.864 2.903 -2.625 333 1HB CYS 39 1HB CYS 39 7.109 1.858 -4.188 334 2HB CYS 39 2HB CYS 39 6.027 2.246 -5.482 335 H GLY 40 H GLY 40 6.066 5.218 -2.083 336 1HA GLY 40 1HA GLY 40 5.637 7.345 -2.053 337 2HA GLY 40 2HA GLY 40 5.447 7.380 -3.759 338 H CYS 41 H CYS 41 4.117 8.031 -1.102 339 HA CYS 41 HA CYS 41 1.462 7.501 -0.840 340 1HB CYS 41 1HB CYS 41 2.716 8.898 0.703 341 2HB CYS 41 2HB CYS 41 2.751 10.223 -0.468 342 HA PRO 42 HA PRO 42 -0.432 9.751 -4.428 343 1HB PRO 42 2HB PRO 42 -1.699 7.737 -5.581 344 2HB PRO 42 1HB PRO 42 0.047 7.546 -5.319 345 1HG PRO 42 2HG PRO 42 -2.180 6.517 -3.521 346 2HG PRO 42 1HG PRO 42 -0.824 5.599 -4.224 347 1HD PRO 42 1HD PRO 42 -0.803 6.866 -1.685 348 2HD PRO 42 2HD PRO 42 0.646 6.419 -2.632 349 H THR 43 H THR 43 -3.111 8.851 -4.989 350 HA THR 43 HA THR 43 -4.732 8.935 -2.589 351 HB THR 43 HB THR 43 -5.113 11.086 -4.716 352 HG1 THR 43 HG1 THR 43 -3.507 11.023 -2.454 353 1HG2 THR 43 1HG2 THR 43 -6.318 10.691 -1.937 354 2HG2 THR 43 2HG2 THR 43 -6.518 12.144 -2.932 355 3HG2 THR 43 3HG2 THR 43 -7.182 10.609 -3.495 356 H ALA 44 H ALA 44 -7.079 8.492 -3.332 357 HA ALA 44 HA ALA 44 -7.406 7.408 -6.014 358 1HB ALA 44 1HB ALA 44 -6.340 5.493 -4.807 359 2HB ALA 44 3HB ALA 44 -7.617 5.594 -3.566 360 3HB ALA 44 2HB ALA 44 -8.026 5.153 -5.234 361 H MET 45 H MET 45 -9.753 6.585 -6.192 362 HA MET 45 HA MET 45 -11.587 8.104 -4.432 363 1HB MET 45 1HB MET 45 -11.447 7.750 -7.465 364 2HB MET 45 2HB MET 45 -12.884 8.311 -6.621 365 1HG MET 45 1HG MET 45 -10.167 9.679 -6.526 366 2HG MET 45 2HG MET 45 -11.516 10.180 -7.538 367 1HE MET 45 2HE MET 45 -13.531 11.515 -6.808 368 2HE MET 45 1HE MET 45 -14.094 10.166 -5.788 369 3HE MET 45 3HE MET 45 -14.001 11.809 -5.118 370 CH2 TRP 46 CH2 TRP 46 -20.662 3.493 -4.000 371 H TRP 46 H TRP 46 -13.816 7.260 -4.635 372 HA TRP 46 HA TRP 46 -13.973 4.623 -3.806 373 1HB TRP 46 1HB TRP 46 -15.641 6.650 -3.614 374 2HB TRP 46 2HB TRP 46 -16.225 6.113 -5.170 375 HD1 TRP 46 HD1 TRP 46 -15.398 4.145 -1.914 376 HE1 TRP 46 HE1 TRP 46 -17.436 2.653 -1.330 377 HE3 TRP 46 HE3 TRP 46 -18.553 5.761 -5.490 378 HZ2 TRP 46 HZ2 TRP 46 -20.122 2.274 -2.296 379 HZ3 TRP 46 HZ3 TRP 46 -20.900 4.845 -5.668 380 HH2 TRP 46 HH2 TRP 46 -21.667 3.103 -4.070 381 HA PRO 47 HA PRO 47 -15.462 2.533 -4.144 382 1HB PRO 47 1HB PRO 47 -14.757 0.015 -4.666 383 2HB PRO 47 2HB PRO 47 -16.087 0.830 -5.530 384 1HG PRO 47 1HG PRO 47 -13.211 0.570 -6.477 385 2HG PRO 47 2HG PRO 47 -14.695 0.110 -7.368 386 1HD PRO 47 2HD PRO 47 -13.532 2.544 -7.742 387 2HD PRO 47 1HD PRO 47 -15.310 2.399 -7.681 388 OH TYR 48 OH TYR 48 -8.184 -2.654 -6.399 389 H TYR 48 H TYR 48 -12.169 3.186 -5.056 390 HA TYR 48 HA TYR 48 -11.060 1.550 -2.843 391 1HB TYR 48 1HB TYR 48 -9.886 3.110 -5.160 392 2HB TYR 48 2HB TYR 48 -8.907 2.687 -3.761 393 HD1 TYR 48 HD2 TYR 48 -9.050 0.178 -2.958 394 HD2 TYR 48 HD1 TYR 48 -9.862 1.534 -6.964 395 HE1 TYR 48 HE2 TYR 48 -8.355 -2.023 -3.833 396 HE2 TYR 48 HE1 TYR 48 -9.141 -0.673 -7.845 397 HH TYR 48 HH TYR 48 -7.716 -3.170 -5.731 398 H GLN 49 H GLN 49 -9.613 2.457 -1.352 399 HA GLN 49 HA GLN 49 -9.573 5.354 -0.975 400 1HB GLN 49 2HB GLN 49 -11.419 4.030 0.500 401 2HB GLN 49 1HB GLN 49 -9.960 3.626 1.422 402 1HG GLN 49 2HG GLN 49 -10.916 6.447 0.791 403 2HG GLN 49 1HG GLN 49 -11.182 5.595 2.317 404 1HE2 GLN 49 2HE2 GLN 49 -7.595 7.371 1.676 405 2HE2 GLN 49 1HE2 GLN 49 -9.020 7.714 0.688 406 H THR 50 H THR 50 -7.572 5.864 -0.063 407 HA THR 50 HA THR 50 -5.614 3.683 0.403 408 HB THR 50 HB THR 50 -4.998 6.139 -1.247 409 HG1 THR 50 HG1 THR 50 -5.148 4.630 -3.064 410 1HG2 THR 50 3HG2 THR 50 -3.573 3.477 -1.023 411 2HG2 THR 50 1HG2 THR 50 -3.104 4.794 -2.104 412 3HG2 THR 50 2HG2 THR 50 -3.016 5.028 -0.356 413 H GLU 51 H GLU 51 -3.857 4.271 1.620 414 HA GLU 51 HA GLU 51 -3.730 6.944 2.843 415 1HB GLU 51 1HB GLU 51 -3.824 6.285 5.097 416 2HB GLU 51 2HB GLU 51 -5.306 5.719 4.311 417 1HG GLU 51 1HG GLU 51 -4.258 3.447 4.092 418 2HG GLU 51 2HG GLU 51 -2.833 4.114 4.916 419 H CYS 52 H CYS 52 -1.676 7.246 4.011 420 HA CYS 52 HA CYS 52 0.472 5.718 2.666 421 1HB CYS 52 1HB CYS 52 0.260 8.632 3.458 422 2HB CYS 52 2HB CYS 52 1.583 7.852 2.591 423 H CYS 53 H CYS 53 2.507 5.596 3.759 424 HA CYS 53 HA CYS 53 2.702 6.376 6.581 425 1HB CYS 53 1HB CYS 53 3.296 4.127 7.327 426 2HB CYS 53 2HB CYS 53 1.639 4.163 6.705 427 H LYS 54 H LYS 54 5.034 6.197 7.279 428 HA LYS 54 HA LYS 54 6.930 6.131 4.989 429 1HB LYS 54 1HB LYS 54 8.070 7.920 6.363 430 2HB LYS 54 2HB LYS 54 6.650 8.395 5.441 431 1HG LYS 54 2HG LYS 54 5.268 8.415 7.451 432 2HG LYS 54 1HG LYS 54 6.622 7.802 8.431 433 1HD LYS 54 2HD LYS 54 7.942 9.828 7.832 434 2HD LYS 54 1HD LYS 54 6.557 10.461 6.928 435 1HE LYS 54 1HE LYS 54 6.609 9.828 9.924 436 2HE LYS 54 2HE LYS 54 6.744 11.441 9.206 437 1HZ LYS 54 1HZ LYS 54 4.559 11.147 8.277 438 2HZ LYS 54 2HZ LYS 54 4.420 9.664 8.983 439 3HZ LYS 54 3HZ LYS 54 4.534 11.012 9.919 440 H GLY 55 H GLY 55 7.714 4.046 5.333 441 1HA GLY 55 1HA GLY 55 9.802 3.761 7.162 442 2HA GLY 55 2HA GLY 55 8.379 2.992 7.897 443 H ASP 56 H ASP 56 10.732 1.570 7.079 444 HA ASP 56 HA ASP 56 10.573 0.399 4.503 445 1HB ASP 56 1HB ASP 56 11.965 -1.405 5.624 446 2HB ASP 56 2HB ASP 56 12.626 0.230 5.657 447 NH1 ARG 57 NH1 ARG 57 10.210 -3.276 8.283 448 NH2 ARG 57 NH2 ARG 57 10.710 -5.349 9.181 449 H ARG 57 H ARG 57 9.094 -0.815 3.713 450 HA ARG 57 HA ARG 57 7.095 -1.827 3.469 451 1HB ARG 57 1HB ARG 57 6.967 -4.128 4.347 452 2HB ARG 57 2HB ARG 57 8.429 -3.736 3.463 453 1HG ARG 57 2HG ARG 57 9.095 -5.140 5.175 454 2HG ARG 57 1HG ARG 57 9.663 -3.553 5.658 455 1HD ARG 57 2HD ARG 57 7.709 -3.421 7.274 456 2HD ARG 57 1HD ARG 57 7.124 -4.960 6.651 457 HE ARG 57 HE ARG 57 8.640 -6.073 7.953 458 1HH1 ARG 57 1HH1 ARG 57 9.580 -2.681 7.756 459 2HH1 ARG 57 2HH1 ARG 57 11.082 -2.860 8.598 460 1HH2 ARG 57 2HH2 ARG 57 10.497 -6.330 9.288 461 2HH2 ARG 57 1HH2 ARG 57 11.512 -4.957 9.652 462 H CYS 58 H CYS 58 6.927 0.287 5.394 463 HA CYS 58 HA CYS 58 5.377 -0.470 7.639 464 1HB CYS 58 1HB CYS 58 4.657 1.831 7.659 465 2HB CYS 58 2HB CYS 58 6.377 1.750 7.274 466 H ASN 59 H ASN 59 4.600 -0.172 4.225 467 HA ASN 59 HA ASN 59 1.698 -0.187 4.598 468 1HB ASN 59 2HB ASN 59 1.611 -0.081 2.223 469 2HB ASN 59 1HB ASN 59 2.735 1.136 2.803 470 1HD2 ASN 59 2HD2 ASN 59 3.975 -0.754 -0.291 471 2HD2 ASN 59 1HD2 ASN 59 2.744 0.388 0.176 472 H LYS 60 H LYS 60 2.331 -2.255 5.974 473 HA LYS 60 HA LYS 60 2.654 -4.711 4.454 474 1HB LYS 60 2HB LYS 60 3.310 -4.496 6.831 475 2HB LYS 60 1HB LYS 60 1.599 -4.301 7.280 476 1HG LYS 60 1HG LYS 60 1.100 -6.531 6.310 477 2HG LYS 60 2HG LYS 60 2.798 -6.712 5.844 478 1HD LYS 60 1HD LYS 60 3.427 -6.497 8.286 479 2HD LYS 60 2HD LYS 60 1.701 -6.501 8.684 480 1HE LYS 60 2HE LYS 60 3.259 -8.732 7.281 481 2HE LYS 60 1HE LYS 60 2.672 -8.755 8.951 482 1HZ LYS 60 1HZ LYS 60 0.434 -8.632 8.086 483 2HZ LYS 60 3HZ LYS 60 0.998 -8.659 6.538 484 3HZ LYS 60 2HZ LYS 60 1.225 -9.962 7.518 Start of MODEL 19 Raw file had 484 H/Q atoms Start of MODEL 19 1 NH1 ARG 1 NH2 ARG 1 9.861 4.296 4.253 2 NH2 ARG 1 NH1 ARG 1 10.759 6.018 5.474 3 1H ARG 1 3H ARG 1 12.298 4.160 -1.232 4 2H ARG 1 2H ARG 1 11.277 4.863 -0.154 5 3H ARG 1 1H ARG 1 12.793 5.451 -0.333 6 HA ARG 1 HA ARG 1 13.749 3.426 0.533 7 1HB ARG 1 2HB ARG 1 12.465 5.101 2.154 8 2HB ARG 1 1HB ARG 1 11.313 3.773 2.250 9 1HG ARG 1 1HG ARG 1 13.810 2.513 2.729 10 2HG ARG 1 2HG ARG 1 14.039 4.105 3.421 11 1HD ARG 1 2HD ARG 1 11.624 2.355 4.042 12 2HD ARG 1 1HD ARG 1 13.095 2.344 5.001 13 HE ARG 1 HE ARG 1 12.728 4.537 5.732 14 1HH1 ARG 1 1HH2 ARG 1 9.835 3.327 3.975 15 2HH1 ARG 1 2HH2 ARG 1 9.090 4.911 4.008 16 1HH2 ARG 1 2HH1 ARG 1 11.541 6.489 5.909 17 2HH2 ARG 1 1HH1 ARG 1 9.935 6.564 5.243 18 H ILE 2 H ILE 2 12.409 1.432 2.066 19 HA ILE 2 HA ILE 2 11.637 -0.392 -0.064 20 HB ILE 2 HB ILE 2 11.886 -0.630 2.972 21 1HG1 ILE 2 1HG1 ILE 2 14.017 -0.333 1.648 22 2HG1 ILE 2 2HG1 ILE 2 13.905 -1.806 2.611 23 1HG2 ILE 2 3HG2 ILE 2 11.159 -2.766 0.921 24 2HG2 ILE 2 2HG2 ILE 2 11.783 -3.128 2.548 25 3HG2 ILE 2 1HG2 ILE 2 10.247 -2.290 2.360 26 1HD1 ILE 2 2HD1 ILE 2 13.354 -1.701 -0.385 27 2HD1 ILE 2 3HD1 ILE 2 14.876 -2.197 0.374 28 3HD1 ILE 2 1HD1 ILE 2 13.410 -3.150 0.642 29 H CYS 3 H CYS 3 9.615 -0.322 -0.881 30 HA CYS 3 HA CYS 3 7.322 -0.008 1.028 31 1HB CYS 3 1HB CYS 3 7.360 0.635 -1.951 32 2HB CYS 3 2HB CYS 3 6.019 0.768 -0.851 33 OH TYR 4 OH TYR 4 9.034 -7.220 4.365 34 H TYR 4 H TYR 4 5.964 -1.750 1.117 35 HA TYR 4 HA TYR 4 6.706 -4.130 -0.492 36 1HB TYR 4 2HB TYR 4 4.814 -3.558 1.795 37 2HB TYR 4 1HB TYR 4 4.625 -4.984 0.786 38 HD1 TYR 4 HD2 TYR 4 8.155 -4.113 1.210 39 HD2 TYR 4 HD1 TYR 4 4.814 -6.162 3.025 40 HE1 TYR 4 HE2 TYR 4 9.698 -5.522 2.497 41 HE2 TYR 4 HE1 TYR 4 6.365 -7.406 4.470 42 HH TYR 4 HH TYR 4 8.600 -7.792 5.003 43 H SER 5 H SER 5 5.284 -5.127 -1.932 44 HA SER 5 HA SER 5 3.146 -3.383 -3.088 45 1HB SER 5 2HB SER 5 5.279 -3.359 -4.388 46 2HB SER 5 1HB SER 5 5.144 -5.116 -4.592 47 HG SER 5 HG SER 5 4.252 -3.819 -6.342 48 H HIS 6 H HIS 6 2.499 -5.258 -4.963 49 HA HIS 6 HA HIS 6 1.376 -7.092 -5.550 50 1HB HIS 6 2HB HIS 6 1.736 -9.092 -4.653 51 2HB HIS 6 1HB HIS 6 2.963 -8.276 -3.747 52 HD1 HIS 6 HD1 HIS 6 1.411 -7.162 -1.318 53 HD2 HIS 6 HD2 HIS 6 0.751 -10.931 -3.005 54 HE1 HIS 6 HE1 HIS 6 0.340 -8.615 0.474 55 H LYS 7 H LYS 7 -0.524 -8.551 -4.571 56 HA LYS 7 HA LYS 7 -2.598 -6.619 -3.649 57 1HB LYS 7 2HB LYS 7 -4.198 -7.872 -5.029 58 2HB LYS 7 1HB LYS 7 -2.999 -6.997 -5.974 59 1HG LYS 7 2HG LYS 7 -1.844 -8.918 -6.628 60 2HG LYS 7 1HG LYS 7 -2.502 -9.934 -5.343 61 1HD LYS 7 2HD LYS 7 -4.235 -8.777 -7.560 62 2HD LYS 7 1HD LYS 7 -3.412 -10.343 -7.676 63 1HE LYS 7 1HE LYS 7 -4.577 -11.136 -5.625 64 2HE LYS 7 2HE LYS 7 -5.463 -9.607 -5.525 65 1HZ LYS 7 1HZ LYS 7 -5.592 -11.508 -7.751 66 2HZ LYS 7 2HZ LYS 7 -6.738 -11.285 -6.589 67 3HZ LYS 7 3HZ LYS 7 -6.408 -10.078 -7.660 68 H ALA 8 H ALA 8 -4.215 -7.447 -2.288 69 HA ALA 8 HA ALA 8 -5.033 -8.720 -0.525 70 1HB ALA 8 2HB ALA 8 -5.508 -10.193 -2.514 71 2HB ALA 8 1HB ALA 8 -4.048 -11.114 -2.116 72 3HB ALA 8 3HB ALA 8 -5.400 -11.036 -0.967 73 H SER 9 H SER 9 -3.895 -11.280 0.263 74 HA SER 9 HA SER 9 -1.306 -10.513 1.560 75 1HB SER 9 2HB SER 9 -2.191 -11.704 3.576 76 2HB SER 9 1HB SER 9 -3.118 -10.241 3.181 77 HG SER 9 HG SER 9 -3.781 -12.899 2.437 78 H LEU 10 H LEU 10 -0.432 -11.679 -0.307 79 HA LEU 10 HA LEU 10 -0.432 -14.643 -0.039 80 1HB LEU 10 1HB LEU 10 -0.663 -13.003 -2.605 81 2HB LEU 10 2HB LEU 10 -0.570 -14.761 -2.543 82 HG LEU 10 HG LEU 10 -2.892 -13.172 -1.399 83 1HD1 LEU 10 3HD2 LEU 10 -2.730 -12.907 -3.832 84 2HD1 LEU 10 2HD2 LEU 10 -2.620 -14.669 -4.031 85 3HD1 LEU 10 1HD2 LEU 10 -4.104 -13.934 -3.389 86 1HD2 LEU 10 3HD1 LEU 10 -2.518 -16.155 -1.952 87 2HD2 LEU 10 2HD1 LEU 10 -2.591 -15.410 -0.343 88 3HD2 LEU 10 1HD1 LEU 10 -4.012 -15.378 -1.392 89 HA PRO 11 HA PRO 11 3.964 -14.062 -0.666 90 1HB PRO 11 2HB PRO 11 3.907 -15.131 -3.497 91 2HB PRO 11 1HB PRO 11 5.066 -15.489 -2.179 92 1HG PRO 11 2HG PRO 11 3.080 -17.266 -2.723 93 2HG PRO 11 1HG PRO 11 3.385 -16.814 -1.017 94 1HD PRO 11 2HD PRO 11 1.329 -15.674 -2.913 95 2HD PRO 11 1HD PRO 11 1.057 -16.279 -1.244 96 NH1 ARG 12 NH2 ARG 12 2.602 -6.651 1.212 97 NH2 ARG 12 NH1 ARG 12 1.950 -8.043 2.892 98 H ARG 12 H ARG 12 4.979 -12.122 -1.111 99 HA ARG 12 HA ARG 12 3.676 -10.373 -3.159 100 1HB ARG 12 1HB ARG 12 3.984 -8.552 -1.622 101 2HB ARG 12 2HB ARG 12 3.220 -9.883 -0.744 102 1HG ARG 12 1HG ARG 12 5.325 -10.455 0.342 103 2HG ARG 12 2HG ARG 12 6.218 -9.284 -0.648 104 1HD ARG 12 2HD ARG 12 5.812 -8.327 1.497 105 2HD ARG 12 1HD ARG 12 4.903 -7.432 0.278 106 HE ARG 12 HE ARG 12 3.753 -9.547 2.085 107 1HH1 ARG 12 2HH2 ARG 12 3.076 -6.446 0.345 108 2HH1 ARG 12 1HH2 ARG 12 1.914 -5.999 1.599 109 1HH2 ARG 12 1HH1 ARG 12 2.018 -8.883 3.444 110 2HH2 ARG 12 2HH1 ARG 12 1.306 -7.292 3.158 111 H ALA 13 H ALA 13 4.989 -8.361 -3.507 112 HA ALA 13 HA ALA 13 7.842 -8.959 -4.119 113 1HB ALA 13 2HB ALA 13 5.836 -7.285 -5.704 114 2HB ALA 13 1HB ALA 13 7.573 -7.431 -6.052 115 3HB ALA 13 3HB ALA 13 6.516 -8.850 -6.199 116 H THR 14 H THR 14 9.232 -7.112 -3.758 117 HA THR 14 HA THR 14 8.091 -4.935 -2.063 118 HB THR 14 HB THR 14 10.150 -5.144 -0.733 119 HG1 THR 14 HG1 THR 14 11.282 -6.178 -2.631 120 1HG2 THR 14 2HG2 THR 14 8.097 -6.580 -0.173 121 2HG2 THR 14 3HG2 THR 14 8.901 -7.924 -1.000 122 3HG2 THR 14 1HG2 THR 14 9.651 -7.209 0.431 123 H LYS 15 H LYS 15 8.698 -2.879 -2.785 124 HA LYS 15 HA LYS 15 10.745 -2.795 -4.973 125 1HB LYS 15 1HB LYS 15 9.544 -0.926 -5.891 126 2HB LYS 15 2HB LYS 15 8.580 -2.408 -5.892 127 1HG LYS 15 2HG LYS 15 7.336 -1.592 -3.886 128 2HG LYS 15 1HG LYS 15 8.254 -0.082 -3.948 129 1HD LYS 15 2HD LYS 15 6.408 -1.135 -6.136 130 2HD LYS 15 1HD LYS 15 6.009 0.108 -4.941 131 1HE LYS 15 2HE LYS 15 7.942 1.496 -5.842 132 2HE LYS 15 1HE LYS 15 8.115 0.305 -7.145 133 1HZ LYS 15 3HZ LYS 15 5.875 0.767 -7.792 134 2HZ LYS 15 1HZ LYS 15 5.708 1.879 -6.586 135 3HZ LYS 15 2HZ LYS 15 6.783 2.141 -7.806 136 H THR 16 H THR 16 12.525 -1.745 -4.496 137 HA THR 16 HA THR 16 12.739 0.017 -2.186 138 HB THR 16 HB THR 16 14.758 -0.518 -4.407 139 HG1 THR 16 HG1 THR 16 15.456 -2.188 -3.027 140 1HG2 THR 16 1HG2 THR 16 15.042 0.294 -1.468 141 2HG2 THR 16 2HG2 THR 16 16.377 0.024 -2.609 142 3HG2 THR 16 3HG2 THR 16 15.263 1.380 -2.859 143 H CYS 17 H CYS 17 11.178 1.597 -2.733 144 HA CYS 17 HA CYS 17 11.318 3.057 -5.306 145 1HB CYS 17 1HB CYS 17 9.197 2.503 -3.850 146 2HB CYS 17 2HB CYS 17 9.768 3.935 -2.972 147 H VAL 18 H VAL 18 11.164 5.636 -4.818 148 HA VAL 18 HA VAL 18 13.683 6.327 -3.443 149 HB VAL 18 HB VAL 18 13.140 7.194 -5.651 150 1HG1 VAL 18 2HG1 VAL 18 10.677 7.582 -5.459 151 2HG1 VAL 18 1HG1 VAL 18 11.046 9.038 -4.492 152 3HG1 VAL 18 3HG1 VAL 18 11.608 8.910 -6.154 153 1HG2 VAL 18 1HG2 VAL 18 14.704 8.378 -4.150 154 2HG2 VAL 18 3HG2 VAL 18 13.855 9.507 -5.219 155 3HG2 VAL 18 2HG2 VAL 18 13.363 9.360 -3.520 156 H GLU 19 H GLU 19 10.337 7.363 -3.411 157 HA GLU 19 HA GLU 19 10.130 9.124 -1.419 158 1HB GLU 19 1HB GLU 19 8.164 6.818 -1.819 159 2HB GLU 19 2HB GLU 19 7.807 8.320 -0.970 160 1HG GLU 19 1HG GLU 19 8.491 8.094 -3.903 161 2HG GLU 19 2HG GLU 19 6.904 8.415 -3.208 162 H ASN 20 H ASN 20 9.946 9.360 0.671 163 HA ASN 20 HA ASN 20 10.939 7.331 2.505 164 1HB ASN 20 2HB ASN 20 11.399 9.754 2.771 165 2HB ASN 20 1HB ASN 20 9.670 10.073 2.971 166 1HD2 ASN 20 2HD2 ASN 20 9.658 9.130 6.401 167 2HD2 ASN 20 1HD2 ASN 20 8.682 9.618 5.030 168 H THR 21 H THR 21 7.799 8.164 1.131 169 HA THR 21 HA THR 21 6.405 6.734 3.312 170 HB THR 21 HB THR 21 4.443 8.005 2.219 171 HG1 THR 21 HG1 THR 21 5.133 9.878 1.081 172 1HG2 THR 21 2HG2 THR 21 6.641 9.599 3.604 173 2HG2 THR 21 1HG2 THR 21 4.939 10.086 3.455 174 3HG2 THR 21 3HG2 THR 21 5.363 8.648 4.398 175 H CYS 22 H CYS 22 4.668 5.297 2.661 176 HA CYS 22 HA CYS 22 4.608 4.443 -0.159 177 1HB CYS 22 1HB CYS 22 4.580 2.442 2.054 178 2HB CYS 22 2HB CYS 22 4.816 2.228 0.328 179 OH TYR 23 OH TYR 23 -0.932 3.854 -5.962 180 H TYR 23 H TYR 23 2.509 3.474 -0.616 181 HA TYR 23 HA TYR 23 0.477 4.019 1.525 182 1HB TYR 23 1HB TYR 23 -1.191 4.352 -0.134 183 2HB TYR 23 2HB TYR 23 0.135 5.478 -0.290 184 HD1 TYR 23 HD2 TYR 23 -1.312 2.306 -1.723 185 HD2 TYR 23 HD1 TYR 23 1.220 5.718 -2.427 186 HE1 TYR 23 HE2 TYR 23 -1.697 2.098 -4.157 187 HE2 TYR 23 HE1 TYR 23 0.722 5.593 -4.838 188 HH TYR 23 HH TYR 23 -0.903 4.752 -6.322 189 H LYS 24 H LYS 24 -1.220 2.764 1.648 190 HA LYS 24 HA LYS 24 -1.112 0.022 0.499 191 1HB LYS 24 1HB LYS 24 -2.359 -0.476 2.825 192 2HB LYS 24 2HB LYS 24 -0.617 -0.645 2.563 193 1HG LYS 24 2HG LYS 24 -0.115 1.417 3.652 194 2HG LYS 24 1HG LYS 24 -1.834 1.839 3.786 195 1HD LYS 24 1HD LYS 24 -2.251 0.052 5.342 196 2HD LYS 24 2HD LYS 24 -0.711 -0.736 4.980 197 1HE LYS 24 1HE LYS 24 -0.656 0.390 7.168 198 2HE LYS 24 2HE LYS 24 0.545 1.067 6.061 199 1HZ LYS 24 2HZ LYS 24 -2.097 2.230 6.624 200 2HZ LYS 24 1HZ LYS 24 -0.667 2.749 7.263 201 3HZ LYS 24 3HZ LYS 24 -0.940 2.882 5.645 202 H MET 25 H MET 25 -2.977 -0.559 -0.421 203 HA MET 25 HA MET 25 -5.216 1.378 -0.472 204 1HB MET 25 2HB MET 25 -3.860 0.997 -2.559 205 2HB MET 25 1HB MET 25 -4.459 -0.659 -2.475 206 1HG MET 25 1HG MET 25 -6.820 0.237 -2.565 207 2HG MET 25 2HG MET 25 -6.142 1.838 -2.837 208 1HE MET 25 2HE MET 25 -4.250 2.097 -4.849 209 2HE MET 25 1HE MET 25 -3.579 0.445 -4.887 210 3HE MET 25 3HE MET 25 -4.330 1.131 -6.340 211 H PHE 26 H PHE 26 -7.239 0.706 0.011 212 HA PHE 26 HA PHE 26 -7.848 -2.177 0.370 213 1HB PHE 26 1HB PHE 26 -9.107 -1.422 2.469 214 2HB PHE 26 2HB PHE 26 -7.359 -1.529 2.579 215 HD1 PHE 26 HD2 PHE 26 -5.920 0.420 2.688 216 HD2 PHE 26 HD1 PHE 26 -10.199 0.891 2.402 217 HE1 PHE 26 HE2 PHE 26 -5.700 2.850 2.943 218 HE2 PHE 26 HE1 PHE 26 -9.969 3.275 3.059 219 HZ PHE 26 HZ PHE 26 -7.675 4.257 3.375 220 H ILE 27 H ILE 27 -10.201 -2.512 0.444 221 HA ILE 27 HA ILE 27 -11.624 -0.738 -1.431 222 HB ILE 27 HB ILE 27 -12.322 -3.347 -0.026 223 1HG1 ILE 27 2HG1 ILE 27 -11.950 -2.603 -2.969 224 2HG1 ILE 27 1HG1 ILE 27 -10.707 -3.356 -1.960 225 1HG2 ILE 27 2HG2 ILE 27 -14.061 -1.713 -1.935 226 2HG2 ILE 27 3HG2 ILE 27 -14.429 -3.347 -1.344 227 3HG2 ILE 27 1HG2 ILE 27 -14.391 -2.014 -0.216 228 1HD1 ILE 27 1HD1 ILE 27 -12.259 -5.292 -1.571 229 2HD1 ILE 27 2HD1 ILE 27 -13.344 -4.595 -2.803 230 3HD1 ILE 27 3HD1 ILE 27 -11.703 -5.081 -3.247 231 NH1 ARG 28 NH2 ARG 28 -13.063 6.492 0.343 232 NH2 ARG 28 NH1 ARG 28 -15.040 7.179 1.337 233 H ARG 28 H ARG 28 -13.212 0.728 -0.755 234 HA ARG 28 HA ARG 28 -12.989 1.896 1.799 235 1HB ARG 28 2HB ARG 28 -15.252 1.959 -0.251 236 2HB ARG 28 1HB ARG 28 -15.133 3.026 1.156 237 1HG ARG 28 1HG ARG 28 -12.954 3.867 0.371 238 2HG ARG 28 2HG ARG 28 -13.036 2.844 -1.057 239 1HD ARG 28 2HD ARG 28 -13.809 4.976 -1.813 240 2HD ARG 28 1HD ARG 28 -15.235 3.960 -1.656 241 HE ARG 28 HE ARG 28 -16.062 5.380 -0.074 242 1HH1 ARG 28 2HH2 ARG 28 -12.599 5.889 -0.317 243 2HH1 ARG 28 1HH2 ARG 28 -12.495 7.100 0.926 244 1HH2 ARG 28 2HH1 ARG 28 -16.038 7.085 1.448 245 2HH2 ARG 28 1HH1 ARG 28 -14.545 7.889 1.857 246 H THR 29 H THR 29 -15.421 -0.381 0.571 247 HA THR 29 HA THR 29 -16.969 -0.641 2.891 248 HB THR 29 HB THR 29 -16.434 -2.899 0.928 249 HG1 THR 29 HG1 THR 29 -17.901 -0.531 0.383 250 1HG2 THR 29 2HG2 THR 29 -19.010 -1.743 2.112 251 2HG2 THR 29 3HG2 THR 29 -18.888 -3.146 1.029 252 3HG2 THR 29 1HG2 THR 29 -18.197 -3.224 2.660 253 H HIS 30 H HIS 30 -13.734 -1.895 2.241 254 HA HIS 30 HA HIS 30 -13.815 -3.578 4.691 255 1HB HIS 30 1HB HIS 30 -12.604 -4.449 2.042 256 2HB HIS 30 2HB HIS 30 -12.624 -5.354 3.556 257 HD1 HIS 30 HD1 HIS 30 -15.846 -4.612 3.977 258 HD2 HIS 30 HD2 HIS 30 -14.009 -6.452 0.688 259 HE1 HIS 30 HE1 HIS 30 -17.619 -5.996 2.795 260 NH1 ARG 31 NH2 ARG 31 -13.816 -1.056 8.327 261 NH2 ARG 31 NH1 ARG 31 -15.165 -2.152 6.811 262 H ARG 31 H ARG 31 -12.855 -1.223 5.138 263 HA ARG 31 HA ARG 31 -10.368 -0.451 4.308 264 1HB ARG 31 1HB ARG 31 -11.491 -0.309 7.141 265 2HB ARG 31 2HB ARG 31 -10.221 0.703 6.453 266 1HG ARG 31 2HG ARG 31 -11.744 2.123 5.741 267 2HG ARG 31 1HG ARG 31 -12.361 0.949 4.608 268 1HD ARG 31 1HD ARG 31 -13.331 1.386 7.488 269 2HD ARG 31 2HD ARG 31 -14.108 1.954 6.022 270 HE ARG 31 HE ARG 31 -14.759 -0.147 5.360 271 1HH1 ARG 31 1HH2 ARG 31 -13.252 -0.261 8.582 272 2HH1 ARG 31 2HH2 ARG 31 -13.946 -1.800 8.996 273 1HH2 ARG 31 2HH1 ARG 31 -15.626 -2.199 5.907 274 2HH2 ARG 31 1HH1 ARG 31 -15.308 -2.905 7.466 275 H GLU 32 H GLU 32 -11.137 -2.733 6.882 276 HA GLU 32 HA GLU 32 -8.356 -3.268 7.568 277 1HB GLU 32 1HB GLU 32 -10.417 -3.319 9.100 278 2HB GLU 32 2HB GLU 32 -10.806 -4.888 8.372 279 1HG GLU 32 1HG GLU 32 -8.587 -5.750 9.159 280 2HG GLU 32 2HG GLU 32 -8.224 -4.157 9.841 281 OH TYR 33 OH TYR 33 -7.823 -9.125 -1.164 282 H TYR 33 H TYR 33 -8.427 -3.648 4.899 283 HA TYR 33 HA TYR 33 -7.572 -6.403 4.616 284 1HB TYR 33 1HB TYR 33 -9.921 -6.771 4.169 285 2HB TYR 33 2HB TYR 33 -9.996 -5.350 3.128 286 HD1 TYR 33 HD2 TYR 33 -7.925 -8.506 3.346 287 HD2 TYR 33 HD1 TYR 33 -10.051 -5.713 0.836 288 HE1 TYR 33 HE2 TYR 33 -7.192 -9.749 1.340 289 HE2 TYR 33 HE1 TYR 33 -9.321 -6.966 -1.169 290 HH TYR 33 HH TYR 33 -7.365 -9.941 -0.955 291 H ILE 34 H ILE 34 -5.574 -5.893 3.802 292 HA ILE 34 HA ILE 34 -5.220 -3.493 2.174 293 HB ILE 34 HB ILE 34 -3.175 -5.682 2.686 294 1HG1 ILE 34 1HG1 ILE 34 -3.902 -5.044 4.884 295 2HG1 ILE 34 2HG1 ILE 34 -2.352 -4.287 4.552 296 1HG2 ILE 34 3HG2 ILE 34 -2.993 -2.711 1.967 297 2HG2 ILE 34 2HG2 ILE 34 -1.613 -3.768 2.321 298 3HG2 ILE 34 1HG2 ILE 34 -2.637 -4.073 0.906 299 1HD1 ILE 34 1HD1 ILE 34 -3.500 -2.120 4.107 300 2HD1 ILE 34 3HD1 ILE 34 -5.067 -2.884 4.457 301 3HD1 ILE 34 2HD1 ILE 34 -3.840 -2.748 5.723 302 H SER 35 H SER 35 -6.030 -3.560 0.233 303 HA SER 35 HA SER 35 -6.544 -6.027 -1.252 304 1HB SER 35 2HB SER 35 -7.038 -3.071 -1.852 305 2HB SER 35 1HB SER 35 -7.630 -4.441 -2.783 306 HG SER 35 HG SER 35 -8.121 -4.345 0.004 307 H GLU 36 H GLU 36 -4.583 -3.046 -1.562 308 HA GLU 36 HA GLU 36 -2.619 -4.411 -3.250 309 1HB GLU 36 2HB GLU 36 -4.394 -3.674 -4.832 310 2HB GLU 36 1HB GLU 36 -4.180 -2.002 -4.313 311 1HG GLU 36 1HG GLU 36 -1.973 -1.916 -5.317 312 2HG GLU 36 2HG GLU 36 -1.947 -3.683 -5.535 313 NH1 ARG 37 NH1 ARG 37 -0.753 -6.199 1.081 314 NH2 ARG 37 NH2 ARG 37 -1.485 -6.331 -1.087 315 H ARG 37 H ARG 37 -0.840 -2.541 -3.788 316 HA ARG 37 HA ARG 37 -0.629 -0.571 -1.597 317 1HB ARG 37 2HB ARG 37 1.163 -2.956 -2.108 318 2HB ARG 37 1HB ARG 37 1.861 -1.474 -1.451 319 1HG ARG 37 1HG ARG 37 1.040 -1.707 0.555 320 2HG ARG 37 2HG ARG 37 -0.530 -2.262 0.041 321 1HD ARG 37 1HD ARG 37 1.950 -4.010 0.121 322 2HD ARG 37 2HD ARG 37 0.637 -3.987 1.305 323 HE ARG 37 HE ARG 37 0.150 -4.615 -1.589 324 1HH1 ARG 37 2HH1 ARG 37 -0.162 -5.817 1.825 325 2HH1 ARG 37 1HH1 ARG 37 -1.371 -6.974 1.295 326 1HH2 ARG 37 2HH2 ARG 37 -1.413 -6.036 -2.053 327 2HH2 ARG 37 1HH2 ARG 37 -2.083 -7.102 -0.806 328 H GLY 38 H GLY 38 1.348 0.794 -1.923 329 1HA GLY 38 1HA GLY 38 2.619 0.794 -4.518 330 2HA GLY 38 2HA GLY 38 1.394 2.060 -4.415 331 H CYS 39 H CYS 39 3.680 3.098 -4.820 332 HA CYS 39 HA CYS 39 5.289 3.529 -2.369 333 1HB CYS 39 2HB CYS 39 6.526 2.982 -4.330 334 2HB CYS 39 1HB CYS 39 5.652 4.168 -5.314 335 H GLY 40 H GLY 40 5.616 5.633 -1.462 336 1HA GLY 40 1HA GLY 40 5.271 7.820 -1.093 337 2HA GLY 40 2HA GLY 40 4.385 7.986 -2.585 338 H CYS 41 H CYS 41 2.188 8.210 -2.420 339 HA CYS 41 HA CYS 41 0.563 7.645 -0.062 340 1HB CYS 41 1HB CYS 41 2.149 9.556 0.192 341 2HB CYS 41 2HB CYS 41 1.209 10.461 -0.993 342 HA PRO 42 HA PRO 42 -2.885 6.979 -2.400 343 1HB PRO 42 2HB PRO 42 -3.520 9.960 -2.480 344 2HB PRO 42 1HB PRO 42 -4.737 8.657 -2.456 345 1HG PRO 42 2HG PRO 42 -3.873 9.755 -0.119 346 2HG PRO 42 1HG PRO 42 -4.107 7.991 -0.233 347 1HD PRO 42 2HD PRO 42 -1.598 9.523 -0.174 348 2HD PRO 42 1HD PRO 42 -1.894 7.761 0.203 349 H THR 43 H THR 43 -4.209 6.852 -4.010 350 HA THR 43 HA THR 43 -4.158 7.996 -6.546 351 HB THR 43 HB THR 43 -3.129 5.182 -6.788 352 HG1 THR 43 HG1 THR 43 -1.492 7.362 -6.063 353 1HG2 THR 43 1HG2 THR 43 -3.815 6.565 -8.801 354 2HG2 THR 43 2HG2 THR 43 -2.557 7.737 -8.373 355 3HG2 THR 43 3HG2 THR 43 -2.112 6.088 -8.843 356 H ALA 44 H ALA 44 -5.341 5.790 -7.878 357 HA ALA 44 HA ALA 44 -7.128 4.397 -7.975 358 1HB ALA 44 2HB ALA 44 -6.058 3.291 -5.929 359 2HB ALA 44 1HB ALA 44 -7.201 4.210 -4.926 360 3HB ALA 44 3HB ALA 44 -7.803 3.059 -6.116 361 H MET 45 H MET 45 -9.568 4.209 -7.139 362 HA MET 45 HA MET 45 -10.687 6.724 -6.199 363 1HB MET 45 1HB MET 45 -11.067 5.395 -8.933 364 2HB MET 45 2HB MET 45 -12.259 6.449 -8.194 365 1HG MET 45 2HG MET 45 -10.520 8.268 -8.058 366 2HG MET 45 1HG MET 45 -9.415 7.207 -8.949 367 1HE MET 45 2HE MET 45 -8.953 9.108 -10.671 368 2HE MET 45 3HE MET 45 -10.234 9.980 -11.546 369 3HE MET 45 1HE MET 45 -10.069 10.180 -9.785 370 CH2 TRP 46 CH2 TRP 46 -18.614 6.598 -0.874 371 H TRP 46 H TRP 46 -12.994 6.383 -5.809 372 HA TRP 46 HA TRP 46 -13.706 4.238 -4.220 373 1HB TRP 46 2HB TRP 46 -14.722 6.421 -4.359 374 2HB TRP 46 1HB TRP 46 -15.437 5.996 -5.883 375 HD1 TRP 46 HD1 TRP 46 -17.031 3.415 -5.328 376 HE1 TRP 46 HE1 TRP 46 -18.916 3.307 -3.565 377 HE3 TRP 46 HE3 TRP 46 -15.894 7.596 -2.703 378 HZ2 TRP 46 HZ2 TRP 46 -19.791 4.836 -1.301 379 HZ3 TRP 46 HZ3 TRP 46 -17.288 8.298 -0.745 380 HH2 TRP 46 HH2 TRP 46 -19.219 6.903 -0.033 381 HA PRO 47 HA PRO 47 -15.230 2.518 -3.713 382 1HB PRO 47 1HB PRO 47 -15.440 -0.161 -3.580 383 2HB PRO 47 2HB PRO 47 -16.618 0.809 -4.502 384 1HG PRO 47 1HG PRO 47 -14.156 -0.596 -5.598 385 2HG PRO 47 2HG PRO 47 -15.846 -0.776 -6.159 386 1HD PRO 47 1HD PRO 47 -14.111 0.985 -7.344 387 2HD PRO 47 2HD PRO 47 -15.838 1.388 -7.139 388 OH TYR 48 OH TYR 48 -10.753 -4.114 -6.164 389 H TYR 48 H TYR 48 -12.209 2.430 -5.021 390 HA TYR 48 HA TYR 48 -11.009 0.958 -2.711 391 1HB TYR 48 1HB TYR 48 -9.865 1.911 -5.357 392 2HB TYR 48 2HB TYR 48 -8.901 1.346 -3.996 393 HD1 TYR 48 HD1 TYR 48 -11.379 0.376 -6.594 394 HD2 TYR 48 HD2 TYR 48 -8.863 -1.048 -3.395 395 HE1 TYR 48 HE1 TYR 48 -11.783 -1.956 -7.316 396 HE2 TYR 48 HE2 TYR 48 -9.243 -3.384 -4.150 397 HH TYR 48 HH TYR 48 -11.333 -4.187 -6.924 398 H GLN 49 H GLN 49 -9.399 2.002 -1.482 399 HA GLN 49 HA GLN 49 -8.783 4.776 -2.129 400 1HB GLN 49 2HB GLN 49 -10.855 4.642 -0.406 401 2HB GLN 49 1HB GLN 49 -9.524 4.294 0.720 402 1HG GLN 49 1HG GLN 49 -8.425 6.450 -0.443 403 2HG GLN 49 2HG GLN 49 -10.105 6.806 -0.833 404 1HE2 GLN 49 2HE2 GLN 49 -8.672 7.196 2.989 405 2HE2 GLN 49 1HE2 GLN 49 -7.652 6.534 1.718 406 H THR 50 H THR 50 -6.869 5.282 -1.477 407 HA THR 50 HA THR 50 -5.049 3.403 -0.150 408 HB THR 50 HB THR 50 -3.484 5.404 -0.858 409 HG1 THR 50 HG1 THR 50 -5.365 6.753 -1.297 410 1HG2 THR 50 1HG2 THR 50 -3.534 3.196 -1.955 411 2HG2 THR 50 3HG2 THR 50 -4.863 3.756 -3.001 412 3HG2 THR 50 2HG2 THR 50 -3.267 4.529 -3.100 413 H GLU 51 H GLU 51 -3.744 3.904 1.575 414 HA GLU 51 HA GLU 51 -4.015 6.543 2.908 415 1HB GLU 51 2HB GLU 51 -4.329 5.716 5.058 416 2HB GLU 51 1HB GLU 51 -5.544 4.907 4.075 417 1HG GLU 51 1HG GLU 51 -3.830 2.926 3.942 418 2HG GLU 51 2HG GLU 51 -2.898 3.899 5.071 419 H CYS 52 H CYS 52 -1.993 7.229 3.795 420 HA CYS 52 HA CYS 52 0.276 5.842 2.582 421 1HB CYS 52 2HB CYS 52 0.576 8.398 4.069 422 2HB CYS 52 1HB CYS 52 1.325 7.854 2.562 423 H CYS 53 H CYS 53 2.319 5.895 3.808 424 HA CYS 53 HA CYS 53 2.315 6.153 6.692 425 1HB CYS 53 1HB CYS 53 2.940 3.876 7.255 426 2HB CYS 53 2HB CYS 53 1.334 3.905 6.520 427 H LYS 54 H LYS 54 4.628 5.542 7.505 428 HA LYS 54 HA LYS 54 6.705 5.862 5.455 429 1HB LYS 54 2HB LYS 54 7.820 7.241 7.273 430 2HB LYS 54 1HB LYS 54 6.566 8.067 6.336 431 1HG LYS 54 1HG LYS 54 4.970 7.789 8.186 432 2HG LYS 54 2HG LYS 54 6.154 6.828 9.101 433 1HD LYS 54 2HD LYS 54 7.674 8.788 9.183 434 2HD LYS 54 1HD LYS 54 6.497 9.742 8.253 435 1HE LYS 54 2HE LYS 54 4.821 9.439 10.070 436 2HE LYS 54 1HE LYS 54 5.994 8.481 10.994 437 1HZ LYS 54 1HZ LYS 54 6.314 11.294 10.217 438 2HZ LYS 54 2HZ LYS 54 5.924 10.740 11.719 439 3HZ LYS 54 3HZ LYS 54 7.404 10.405 11.077 440 H GLY 55 H GLY 55 8.667 4.872 6.149 441 1HA GLY 55 1HA GLY 55 9.965 3.697 7.820 442 2HA GLY 55 2HA GLY 55 8.486 2.938 8.434 443 H ASP 56 H ASP 56 10.883 1.520 7.424 444 HA ASP 56 HA ASP 56 10.580 0.643 4.737 445 1HB ASP 56 1HB ASP 56 11.938 -1.249 5.434 446 2HB ASP 56 2HB ASP 56 12.628 0.236 6.020 447 NH1 ARG 57 NH1 ARG 57 12.834 -4.443 6.066 448 NH2 ARG 57 NH2 ARG 57 12.372 -6.290 4.727 449 H ARG 57 H ARG 57 9.282 -0.732 3.840 450 HA ARG 57 HA ARG 57 7.345 -1.865 3.507 451 1HB ARG 57 1HB ARG 57 7.272 -4.034 4.503 452 2HB ARG 57 2HB ARG 57 8.943 -3.617 4.071 453 1HG ARG 57 2HG ARG 57 8.175 -3.130 6.924 454 2HG ARG 57 1HG ARG 57 8.178 -4.803 6.402 455 1HD ARG 57 2HD ARG 57 10.520 -2.981 5.943 456 2HD ARG 57 1HD ARG 57 10.327 -4.013 7.375 457 HE ARG 57 HE ARG 57 9.994 -5.672 5.128 458 1HH1 ARG 57 2HH1 ARG 57 12.502 -3.675 6.649 459 2HH1 ARG 57 1HH1 ARG 57 13.827 -4.601 5.992 460 1HH2 ARG 57 2HH2 ARG 57 11.683 -6.891 4.294 461 2HH2 ARG 57 1HH2 ARG 57 13.354 -6.494 4.620 462 H CYS 58 H CYS 58 6.977 0.423 5.466 463 HA CYS 58 HA CYS 58 5.273 -0.361 7.533 464 1HB CYS 58 2HB CYS 58 4.459 1.895 7.485 465 2HB CYS 58 1HB CYS 58 6.197 1.881 7.196 466 H ASN 59 H ASN 59 4.578 -0.020 4.053 467 HA ASN 59 HA ASN 59 1.690 -0.411 4.412 468 1HB ASN 59 1HB ASN 59 1.623 0.019 2.067 469 2HB ASN 59 2HB ASN 59 2.609 1.271 2.801 470 1HD2 ASN 59 1HD2 ASN 59 4.130 -0.287 -0.350 471 2HD2 ASN 59 2HD2 ASN 59 2.649 0.577 -0.021 472 H LYS 60 H LYS 60 2.771 -2.664 5.453 473 HA LYS 60 HA LYS 60 3.156 -4.641 3.304 474 1HB LYS 60 1HB LYS 60 3.436 -6.262 4.976 475 2HB LYS 60 2HB LYS 60 4.443 -4.878 5.386 476 1HG LYS 60 1HG LYS 60 1.745 -5.484 6.671 477 2HG LYS 60 2HG LYS 60 3.276 -6.132 7.235 478 1HD LYS 60 1HD LYS 60 3.708 -4.356 8.457 479 2HD LYS 60 2HD LYS 60 3.666 -3.292 7.070 480 1HE LYS 60 1HE LYS 60 1.218 -4.199 8.677 481 2HE LYS 60 2HE LYS 60 2.066 -2.660 8.907 482 1HZ LYS 60 2HZ LYS 60 0.778 -3.460 6.388 483 2HZ LYS 60 3HZ LYS 60 0.109 -2.475 7.529 484 3HZ LYS 60 1HZ LYS 60 1.481 -2.005 6.747 Start of MODEL 20 Raw file had 484 H/Q atoms Start of MODEL 20 1 NH1 ARG 1 NH1 ARG 1 14.108 4.904 5.807 2 NH2 ARG 1 NH2 ARG 1 13.462 7.122 5.622 3 1H ARG 1 1H ARG 1 12.839 4.538 -0.958 4 2H ARG 1 3H ARG 1 11.511 5.376 -0.489 5 3H ARG 1 2H ARG 1 12.959 5.838 0.073 6 HA ARG 1 HA ARG 1 13.111 4.007 1.495 7 1HB ARG 1 2HB ARG 1 11.275 5.696 2.028 8 2HB ARG 1 1HB ARG 1 10.111 4.606 1.265 9 1HG ARG 1 1HG ARG 1 9.932 4.467 3.639 10 2HG ARG 1 2HG ARG 1 10.535 2.938 3.023 11 1HD ARG 1 1HD ARG 1 11.766 3.594 5.039 12 2HD ARG 1 2HD ARG 1 12.865 3.648 3.667 13 HE ARG 1 HE ARG 1 11.655 6.220 4.159 14 1HH1 ARG 1 1HH1 ARG 1 13.959 3.914 5.617 15 2HH1 ARG 1 2HH1 ARG 1 14.863 5.161 6.424 16 1HH2 ARG 1 2HH2 ARG 1 12.799 7.811 5.278 17 2HH2 ARG 1 1HH2 ARG 1 14.203 7.415 6.240 18 H ILE 2 H ILE 2 12.286 1.727 2.127 19 HA ILE 2 HA ILE 2 11.766 0.148 -0.288 20 HB ILE 2 HB ILE 2 11.836 -0.553 2.682 21 1HG1 ILE 2 2HG1 ILE 2 14.037 0.174 1.510 22 2HG1 ILE 2 1HG1 ILE 2 14.015 -1.332 2.430 23 1HG2 ILE 2 1HG2 ILE 2 11.593 -2.362 0.238 24 2HG2 ILE 2 2HG2 ILE 2 11.974 -2.924 1.884 25 3HG2 ILE 2 3HG2 ILE 2 10.420 -2.165 1.540 26 1HD1 ILE 2 2HD1 ILE 2 13.621 -1.232 -0.573 27 2HD1 ILE 2 3HD1 ILE 2 15.198 -1.441 0.217 28 3HD1 ILE 2 1HD1 ILE 2 13.933 -2.663 0.433 29 H CYS 3 H CYS 3 9.673 -0.453 -0.965 30 HA CYS 3 HA CYS 3 7.409 -0.055 0.958 31 1HB CYS 3 2HB CYS 3 7.439 0.868 -1.939 32 2HB CYS 3 1HB CYS 3 6.061 0.888 -0.847 33 OH TYR 4 OH TYR 4 6.629 -7.213 4.874 34 H TYR 4 H TYR 4 5.794 -1.611 0.747 35 HA TYR 4 HA TYR 4 6.492 -4.002 -0.793 36 1HB TYR 4 2HB TYR 4 4.164 -3.221 0.995 37 2HB TYR 4 1HB TYR 4 4.210 -4.711 0.081 38 HD1 TYR 4 HD2 TYR 4 6.260 -6.306 0.445 39 HD2 TYR 4 HD1 TYR 4 4.933 -3.321 3.252 40 HE1 TYR 4 HE2 TYR 4 7.063 -7.703 2.331 41 HE2 TYR 4 HE1 TYR 4 5.469 -4.837 5.115 42 HH TYR 4 HH TYR 4 6.247 -6.925 5.708 43 H SER 5 H SER 5 4.905 -4.807 -2.429 44 HA SER 5 HA SER 5 2.897 -2.887 -3.430 45 1HB SER 5 1HB SER 5 5.170 -3.817 -5.235 46 2HB SER 5 2HB SER 5 3.804 -2.774 -5.671 47 HG SER 5 HG SER 5 4.834 -1.579 -3.634 48 H HIS 6 H HIS 6 2.823 -5.598 -2.214 49 HA HIS 6 HA HIS 6 1.982 -7.232 -4.555 50 1HB HIS 6 2HB HIS 6 2.362 -9.028 -3.393 51 2HB HIS 6 1HB HIS 6 3.174 -8.046 -2.237 52 HD1 HIS 6 HD1 HIS 6 1.508 -7.230 -0.050 53 HD2 HIS 6 HD2 HIS 6 0.625 -10.595 -2.350 54 HE1 HIS 6 HE1 HIS 6 -0.009 -8.705 1.341 55 H LYS 7 H LYS 7 -0.050 -8.468 -3.974 56 HA LYS 7 HA LYS 7 -2.215 -6.518 -3.325 57 1HB LYS 7 1HB LYS 7 -3.514 -7.456 -5.309 58 2HB LYS 7 2HB LYS 7 -2.228 -6.303 -5.596 59 1HG LYS 7 2HG LYS 7 -2.114 -7.911 -7.313 60 2HG LYS 7 1HG LYS 7 -0.683 -8.066 -6.322 61 1HD LYS 7 2HD LYS 7 -1.576 -10.248 -7.038 62 2HD LYS 7 1HD LYS 7 -1.551 -10.114 -5.287 63 1HE LYS 7 2HE LYS 7 -3.625 -11.184 -6.146 64 2HE LYS 7 1HE LYS 7 -3.984 -9.713 -5.241 65 1HZ LYS 7 3HZ LYS 7 -3.843 -9.927 -8.168 66 2HZ LYS 7 2HZ LYS 7 -5.223 -9.856 -7.269 67 3HZ LYS 7 1HZ LYS 7 -4.207 -8.561 -7.318 68 H ALA 8 H ALA 8 -4.163 -7.350 -2.677 69 HA ALA 8 HA ALA 8 -5.402 -8.644 -1.227 70 1HB ALA 8 2HB ALA 8 -5.607 -9.933 -3.356 71 2HB ALA 8 1HB ALA 8 -4.247 -10.953 -2.855 72 3HB ALA 8 3HB ALA 8 -5.760 -10.960 -1.937 73 H SER 9 H SER 9 -4.838 -11.230 -0.179 74 HA SER 9 HA SER 9 -2.476 -10.730 1.602 75 1HB SER 9 2HB SER 9 -3.705 -12.255 3.139 76 2HB SER 9 1HB SER 9 -4.625 -10.786 2.759 77 HG SER 9 HG SER 9 -4.888 -13.328 1.515 78 H LEU 10 H LEU 10 -1.083 -11.559 -0.155 79 HA LEU 10 HA LEU 10 -1.033 -14.536 -0.361 80 1HB LEU 10 2HB LEU 10 -0.672 -12.508 -2.612 81 2HB LEU 10 1HB LEU 10 -0.535 -14.253 -2.803 82 HG LEU 10 HG LEU 10 -3.119 -12.873 -2.038 83 1HD1 LEU 10 3HD1 LEU 10 -2.357 -12.252 -4.288 84 2HD1 LEU 10 1HD1 LEU 10 -2.156 -13.967 -4.708 85 3HD1 LEU 10 2HD1 LEU 10 -3.772 -13.318 -4.355 86 1HD2 LEU 10 1HD2 LEU 10 -2.495 -15.737 -2.908 87 2HD2 LEU 10 3HD2 LEU 10 -3.006 -15.245 -1.281 88 3HD2 LEU 10 2HD2 LEU 10 -4.113 -15.058 -2.644 89 HA PRO 11 HA PRO 11 3.299 -14.036 0.337 90 1HB PRO 11 1HB PRO 11 4.206 -14.333 -2.508 91 2HB PRO 11 2HB PRO 11 4.832 -15.160 -1.055 92 1HG PRO 11 1HG PRO 11 3.167 -16.518 -2.711 93 2HG PRO 11 2HG PRO 11 2.904 -16.600 -0.943 94 1HD PRO 11 2HD PRO 11 1.527 -14.824 -2.954 95 2HD PRO 11 1HD PRO 11 0.770 -15.849 -1.683 96 NH1 ARG 12 NH2 ARG 12 1.546 -7.776 3.374 97 NH2 ARG 12 NH1 ARG 12 2.624 -6.086 2.298 98 H ARG 12 H ARG 12 4.920 -12.401 0.382 99 HA ARG 12 HA ARG 12 3.887 -9.824 -0.477 100 1HB ARG 12 1HB ARG 12 6.544 -10.474 0.841 101 2HB ARG 12 2HB ARG 12 5.761 -8.904 0.759 102 1HG ARG 12 2HG ARG 12 4.819 -11.345 2.333 103 2HG ARG 12 1HG ARG 12 5.476 -9.843 2.978 104 1HD ARG 12 2HD ARG 12 2.793 -10.178 1.562 105 2HD ARG 12 1HD ARG 12 3.090 -9.929 3.285 106 HE ARG 12 HE ARG 12 4.187 -7.857 1.509 107 1HH1 ARG 12 2HH2 ARG 12 1.397 -8.744 3.610 108 2HH1 ARG 12 1HH2 ARG 12 0.936 -7.036 3.737 109 1HH2 ARG 12 1HH1 ARG 12 3.384 -5.695 1.767 110 2HH2 ARG 12 2HH1 ARG 12 1.919 -5.476 2.721 111 H ALA 13 H ALA 13 5.195 -8.199 -1.486 112 HA ALA 13 HA ALA 13 7.369 -8.899 -3.285 113 1HB ALA 13 2HB ALA 13 4.709 -7.786 -4.318 114 2HB ALA 13 3HB ALA 13 6.207 -7.944 -5.257 115 3HB ALA 13 1HB ALA 13 5.366 -9.398 -4.681 116 H THR 14 H THR 14 8.599 -6.896 -3.648 117 HA THR 14 HA THR 14 7.535 -4.393 -2.638 118 HB THR 14 HB THR 14 8.170 -5.387 -0.513 119 HG1 THR 14 HG1 THR 14 8.921 -3.257 -0.799 120 1HG2 THR 14 2HG2 THR 14 10.837 -6.086 -1.789 121 2HG2 THR 14 3HG2 THR 14 10.441 -6.240 -0.063 122 3HG2 THR 14 1HG2 THR 14 9.588 -7.240 -1.249 123 H LYS 15 H LYS 15 9.215 -2.735 -2.662 124 HA LYS 15 HA LYS 15 11.300 -3.068 -4.728 125 1HB LYS 15 2HB LYS 15 10.405 -1.096 -5.999 126 2HB LYS 15 1HB LYS 15 9.402 -2.552 -6.100 127 1HG LYS 15 2HG LYS 15 7.801 -1.646 -4.490 128 2HG LYS 15 1HG LYS 15 8.842 -0.263 -4.154 129 1HD LYS 15 2HD LYS 15 7.011 0.385 -5.593 130 2HD LYS 15 1HD LYS 15 8.551 0.571 -6.454 131 1HE LYS 15 1HE LYS 15 8.135 -1.511 -7.704 132 2HE LYS 15 2HE LYS 15 6.688 -1.839 -6.730 133 1HZ LYS 15 2HZ LYS 15 7.056 0.447 -8.534 134 2HZ LYS 15 3HZ LYS 15 6.159 -0.899 -8.846 135 3HZ LYS 15 1HZ LYS 15 5.706 0.128 -7.641 136 H THR 16 H THR 16 12.804 -1.374 -4.746 137 HA THR 16 HA THR 16 13.011 0.188 -2.220 138 HB THR 16 HB THR 16 15.071 -0.328 -4.411 139 HG1 THR 16 HG1 THR 16 14.355 -2.202 -3.189 140 1HG2 THR 16 3HG2 THR 16 15.333 0.742 -1.557 141 2HG2 THR 16 2HG2 THR 16 16.675 0.393 -2.665 142 3HG2 THR 16 1HG2 THR 16 15.537 1.698 -3.044 143 H CYS 17 H CYS 17 11.584 1.915 -2.606 144 HA CYS 17 HA CYS 17 11.691 3.274 -5.252 145 1HB CYS 17 1HB CYS 17 9.540 2.632 -3.856 146 2HB CYS 17 2HB CYS 17 9.982 4.154 -3.052 147 H VAL 18 H VAL 18 11.433 5.761 -4.939 148 HA VAL 18 HA VAL 18 13.804 6.738 -3.498 149 HB VAL 18 HB VAL 18 11.777 8.149 -5.299 150 1HG1 VAL 18 2HG2 VAL 18 14.460 9.087 -4.186 151 2HG1 VAL 18 3HG2 VAL 18 13.494 9.940 -5.407 152 3HG1 VAL 18 1HG2 VAL 18 12.866 9.750 -3.766 153 1HG2 VAL 18 1HG1 VAL 18 14.594 7.116 -5.850 154 2HG2 VAL 18 3HG1 VAL 18 13.091 6.460 -6.531 155 3HG2 VAL 18 2HG1 VAL 18 13.614 8.092 -6.963 156 H GLU 19 H GLU 19 10.333 7.578 -3.691 157 HA GLU 19 HA GLU 19 10.011 9.438 -1.790 158 1HB GLU 19 1HB GLU 19 8.147 7.021 -2.068 159 2HB GLU 19 2HB GLU 19 7.718 8.581 -1.361 160 1HG GLU 19 1HG GLU 19 8.432 8.040 -4.223 161 2HG GLU 19 2HG GLU 19 6.850 8.495 -3.596 162 H ASN 20 H ASN 20 9.748 9.705 0.318 163 HA ASN 20 HA ASN 20 10.930 7.810 2.156 164 1HB ASN 20 1HB ASN 20 11.108 10.239 2.476 165 2HB ASN 20 2HB ASN 20 9.348 10.355 2.660 166 1HD2 ASN 20 1HD2 ASN 20 9.550 9.599 6.113 167 2HD2 ASN 20 2HD2 ASN 20 8.660 10.361 4.809 168 H THR 21 H THR 21 7.697 8.341 0.842 169 HA THR 21 HA THR 21 6.409 6.921 3.104 170 HB THR 21 HB THR 21 4.368 8.023 1.944 171 HG1 THR 21 HG1 THR 21 5.012 9.920 0.762 172 1HG2 THR 21 1HG2 THR 21 6.489 9.786 3.256 173 2HG2 THR 21 3HG2 THR 21 4.764 10.179 3.099 174 3HG2 THR 21 2HG2 THR 21 5.267 8.807 4.099 175 H CYS 22 H CYS 22 4.667 5.484 2.558 176 HA CYS 22 HA CYS 22 4.597 4.382 -0.177 177 1HB CYS 22 1HB CYS 22 4.570 2.643 2.230 178 2HB CYS 22 2HB CYS 22 4.796 2.183 0.548 179 OH TYR 23 OH TYR 23 -0.420 1.973 -5.759 180 H TYR 23 H TYR 23 2.532 3.740 -0.590 181 HA TYR 23 HA TYR 23 0.461 3.967 1.543 182 1HB TYR 23 1HB TYR 23 -1.163 4.135 -0.131 183 2HB TYR 23 2HB TYR 23 0.196 5.141 -0.525 184 HD1 TYR 23 HD2 TYR 23 -1.673 2.045 -1.388 185 HD2 TYR 23 HD1 TYR 23 1.509 4.650 -2.654 186 HE1 TYR 23 HE2 TYR 23 -1.811 1.112 -3.676 187 HE2 TYR 23 HE1 TYR 23 1.286 3.806 -4.953 188 HH TYR 23 HH TYR 23 -1.118 1.318 -5.898 189 H LYS 24 H LYS 24 -1.254 2.653 1.623 190 HA LYS 24 HA LYS 24 -1.062 -0.063 0.501 191 1HB LYS 24 1HB LYS 24 -1.801 -1.167 2.482 192 2HB LYS 24 2HB LYS 24 -0.339 -0.252 2.858 193 1HG LYS 24 1HG LYS 24 -1.781 1.520 3.915 194 2HG LYS 24 2HG LYS 24 -3.197 0.497 3.568 195 1HD LYS 24 2HD LYS 24 -2.722 -0.174 5.762 196 2HD LYS 24 1HD LYS 24 -1.866 -1.386 4.805 197 1HE LYS 24 1HE LYS 24 0.101 0.442 5.002 198 2HE LYS 24 2HE LYS 24 -0.783 0.892 6.456 199 1HZ LYS 24 1HZ LYS 24 0.110 -1.848 5.824 200 2HZ LYS 24 2HZ LYS 24 0.922 -0.805 6.818 201 3HZ LYS 24 3HZ LYS 24 -0.584 -1.344 7.226 202 H MET 25 H MET 25 -2.889 -0.554 -0.509 203 HA MET 25 HA MET 25 -5.152 1.364 -0.496 204 1HB MET 25 1HB MET 25 -3.739 1.362 -2.423 205 2HB MET 25 2HB MET 25 -3.954 -0.365 -2.572 206 1HG MET 25 2HG MET 25 -6.258 -0.109 -3.246 207 2HG MET 25 1HG MET 25 -6.234 1.622 -2.854 208 1HE MET 25 1HE MET 25 -6.871 -0.226 -5.655 209 2HE MET 25 3HE MET 25 -7.315 1.508 -5.649 210 3HE MET 25 2HE MET 25 -6.276 0.856 -6.932 211 H PHE 26 H PHE 26 -7.208 0.613 -0.217 212 HA PHE 26 HA PHE 26 -7.774 -2.301 -0.105 213 1HB PHE 26 1HB PHE 26 -8.952 -1.783 2.115 214 2HB PHE 26 2HB PHE 26 -7.201 -1.850 2.153 215 HD1 PHE 26 HD2 PHE 26 -10.087 0.550 2.182 216 HD2 PHE 26 HD1 PHE 26 -5.808 0.103 2.484 217 HE1 PHE 26 HE2 PHE 26 -9.922 2.776 3.250 218 HE2 PHE 26 HE1 PHE 26 -5.639 2.483 3.055 219 HZ PHE 26 HZ PHE 26 -7.671 3.779 3.662 220 H ILE 27 H ILE 27 -10.135 -2.683 0.041 221 HA ILE 27 HA ILE 27 -11.587 -0.801 -1.654 222 HB ILE 27 HB ILE 27 -12.469 -3.345 -0.227 223 1HG1 ILE 27 2HG1 ILE 27 -11.796 -2.713 -3.149 224 2HG1 ILE 27 1HG1 ILE 27 -10.788 -3.648 -2.035 225 1HG2 ILE 27 3HG2 ILE 27 -14.378 -1.769 -0.597 226 2HG2 ILE 27 1HG2 ILE 27 -13.937 -1.659 -2.311 227 3HG2 ILE 27 2HG2 ILE 27 -14.516 -3.181 -1.628 228 1HD1 ILE 27 1HD1 ILE 27 -12.680 -5.298 -1.807 229 2HD1 ILE 27 2HD1 ILE 27 -13.498 -4.442 -3.141 230 3HD1 ILE 27 3HD1 ILE 27 -11.926 -5.204 -3.415 231 NH1 ARG 28 NH2 ARG 28 -13.016 6.898 0.365 232 NH2 ARG 28 NH1 ARG 28 -12.271 6.343 -1.734 233 H ARG 28 H ARG 28 -12.875 0.768 -0.938 234 HA ARG 28 HA ARG 28 -12.537 2.011 1.507 235 1HB ARG 28 2HB ARG 28 -13.563 2.848 -0.661 236 2HB ARG 28 1HB ARG 28 -15.091 2.135 -0.152 237 1HG ARG 28 1HG ARG 28 -15.161 3.574 1.838 238 2HG ARG 28 2HG ARG 28 -13.552 4.219 1.464 239 1HD ARG 28 2HD ARG 28 -16.025 4.528 -0.297 240 2HD ARG 28 1HD ARG 28 -15.400 5.768 0.770 241 HE ARG 28 HE ARG 28 -14.289 4.881 -1.810 242 1HH1 ARG 28 2HH2 ARG 28 -13.669 6.810 1.126 243 2HH1 ARG 28 1HH2 ARG 28 -12.177 7.461 0.466 244 1HH2 ARG 28 1HH1 ARG 28 -12.210 5.651 -2.474 245 2HH2 ARG 28 2HH1 ARG 28 -11.458 6.935 -1.579 246 H THR 29 H THR 29 -15.302 -0.003 0.575 247 HA THR 29 HA THR 29 -16.633 0.125 3.122 248 HB THR 29 HB THR 29 -17.982 -1.775 2.059 249 HG1 THR 29 HG1 THR 29 -16.936 -2.715 0.462 250 1HG2 THR 29 1HG2 THR 29 -17.572 0.772 0.421 251 2HG2 THR 29 3HG2 THR 29 -18.974 -0.313 0.338 252 3HG2 THR 29 2HG2 THR 29 -18.643 0.591 1.827 253 H HIS 30 H HIS 30 -13.851 -1.710 2.184 254 HA HIS 30 HA HIS 30 -14.199 -3.510 4.528 255 1HB HIS 30 1HB HIS 30 -13.141 -4.480 1.855 256 2HB HIS 30 2HB HIS 30 -13.557 -5.440 3.281 257 HD1 HIS 30 HD1 HIS 30 -16.397 -4.674 3.901 258 HD2 HIS 30 HD2 HIS 30 -15.021 -4.738 -0.051 259 HE1 HIS 30 HE1 HIS 30 -18.435 -4.627 2.397 260 NH1 ARG 31 NH2 ARG 31 -7.656 1.721 7.612 261 NH2 ARG 31 NH1 ARG 31 -7.052 -0.207 6.476 262 H ARG 31 H ARG 31 -12.934 -1.210 4.735 263 HA ARG 31 HA ARG 31 -10.374 -0.957 3.777 264 1HB ARG 31 1HB ARG 31 -10.079 0.744 5.409 265 2HB ARG 31 2HB ARG 31 -11.763 0.752 4.948 266 1HG ARG 31 1HG ARG 31 -12.305 0.704 7.120 267 2HG ARG 31 2HG ARG 31 -11.732 -0.954 7.205 268 1HD ARG 31 2HD ARG 31 -10.231 1.612 7.800 269 2HD ARG 31 1HD ARG 31 -10.614 0.314 8.941 270 HE ARG 31 HE ARG 31 -9.103 -1.147 7.493 271 1HH1 ARG 31 1HH2 ARG 31 -8.293 2.202 8.227 272 2HH1 ARG 31 2HH2 ARG 31 -6.807 2.189 7.313 273 1HH2 ARG 31 1HH1 ARG 31 -7.345 -1.089 6.064 274 2HH2 ARG 31 2HH1 ARG 31 -6.192 0.229 6.161 275 H GLU 32 H GLU 32 -11.393 -3.025 6.403 276 HA GLU 32 HA GLU 32 -8.760 -3.536 7.453 277 1HB GLU 32 2HB GLU 32 -10.004 -5.314 8.697 278 2HB GLU 32 1HB GLU 32 -10.812 -3.755 8.820 279 1HG GLU 32 1HG GLU 32 -11.700 -5.435 6.486 280 2HG GLU 32 2HG GLU 32 -11.992 -6.138 8.056 281 OH TYR 33 OH TYR 33 -6.830 -10.857 0.366 282 H TYR 33 H TYR 33 -8.961 -3.965 4.604 283 HA TYR 33 HA TYR 33 -7.576 -6.539 4.486 284 1HB TYR 33 1HB TYR 33 -10.002 -7.112 4.081 285 2HB TYR 33 2HB TYR 33 -9.966 -6.054 2.664 286 HD1 TYR 33 HD2 TYR 33 -8.487 -9.105 4.219 287 HD2 TYR 33 HD1 TYR 33 -8.908 -6.815 0.589 288 HE1 TYR 33 HE2 TYR 33 -7.346 -10.900 2.956 289 HE2 TYR 33 HE1 TYR 33 -7.792 -8.630 -0.678 290 HH TYR 33 HH TYR 33 -6.516 -11.555 0.958 291 H ILE 34 H ILE 34 -5.700 -5.897 3.572 292 HA ILE 34 HA ILE 34 -5.621 -3.542 1.845 293 HB ILE 34 HB ILE 34 -3.397 -5.480 2.552 294 1HG1 ILE 34 1HG1 ILE 34 -4.192 -4.655 4.652 295 2HG1 ILE 34 2HG1 ILE 34 -2.732 -3.770 4.240 296 1HG2 ILE 34 1HG2 ILE 34 -3.436 -2.616 1.473 297 2HG2 ILE 34 2HG2 ILE 34 -1.984 -3.494 1.996 298 3HG2 ILE 34 3HG2 ILE 34 -2.918 -4.065 0.606 299 1HD1 ILE 34 2HD1 ILE 34 -4.164 -1.834 3.483 300 2HD1 ILE 34 1HD1 ILE 34 -5.599 -2.733 4.025 301 3HD1 ILE 34 3HD1 ILE 34 -4.364 -2.253 5.191 302 H SER 35 H SER 35 -5.894 -3.584 -0.232 303 HA SER 35 HA SER 35 -6.231 -6.153 -1.679 304 1HB SER 35 1HB SER 35 -7.043 -3.315 -2.408 305 2HB SER 35 2HB SER 35 -7.521 -4.811 -3.235 306 HG SER 35 HG SER 35 -8.019 -4.561 -0.465 307 H GLU 36 H GLU 36 -4.343 -3.094 -1.710 308 HA GLU 36 HA GLU 36 -2.386 -4.243 -3.575 309 1HB GLU 36 2HB GLU 36 -3.939 -3.274 -5.157 310 2HB GLU 36 1HB GLU 36 -4.116 -1.809 -4.204 311 1HG GLU 36 1HG GLU 36 -1.711 -1.232 -4.705 312 2HG GLU 36 2HG GLU 36 -1.639 -2.657 -5.763 313 NH1 ARG 37 NH2 ARG 37 -0.900 -6.114 1.722 314 NH2 ARG 37 NH1 ARG 37 -1.479 -6.450 -0.499 315 H ARG 37 H ARG 37 -0.455 -2.655 -3.625 316 HA ARG 37 HA ARG 37 -0.338 -0.677 -1.468 317 1HB ARG 37 1HB ARG 37 1.298 -3.237 -1.597 318 2HB ARG 37 2HB ARG 37 2.010 -1.765 -0.954 319 1HG ARG 37 1HG ARG 37 0.890 -1.701 0.921 320 2HG ARG 37 2HG ARG 37 -0.601 -2.339 0.248 321 1HD ARG 37 2HD ARG 37 1.842 -4.028 0.808 322 2HD ARG 37 1HD ARG 37 0.416 -3.882 1.844 323 HE ARG 37 HE ARG 37 0.176 -4.780 -1.013 324 1HH1 ARG 37 2HH2 ARG 37 -0.343 -5.657 2.452 325 2HH1 ARG 37 1HH2 ARG 37 -1.579 -6.803 2.007 326 1HH2 ARG 37 2HH1 ARG 37 -1.323 -6.206 -1.470 327 2HH2 ARG 37 1HH1 ARG 37 -2.102 -7.217 -0.255 328 H GLY 38 H GLY 38 1.694 0.598 -1.669 329 1HA GLY 38 2HA GLY 38 3.437 0.150 -3.887 330 2HA GLY 38 1HA GLY 38 2.201 1.279 -4.422 331 H CYS 39 H CYS 39 4.485 2.244 -4.694 332 HA CYS 39 HA CYS 39 5.841 3.416 -2.434 333 1HB CYS 39 2HB CYS 39 7.067 2.832 -4.415 334 2HB CYS 39 1HB CYS 39 5.994 3.791 -5.449 335 H GLY 40 H GLY 40 5.879 5.610 -1.727 336 1HA GLY 40 1HA GLY 40 5.017 7.673 -1.332 337 2HA GLY 40 2HA GLY 40 4.544 7.753 -3.037 338 H CYS 41 H CYS 41 2.473 8.682 -2.357 339 HA CYS 41 HA CYS 41 0.415 6.679 -1.810 340 1HB CYS 41 1HB CYS 41 1.419 7.770 0.257 341 2HB CYS 41 2HB CYS 41 0.684 9.268 -0.250 342 HA PRO 42 HA PRO 42 -1.486 9.655 -4.689 343 1HB PRO 42 2HB PRO 42 -2.474 7.942 -6.539 344 2HB PRO 42 1HB PRO 42 -0.750 8.381 -6.488 345 1HG PRO 42 1HG PRO 42 -2.106 5.895 -5.400 346 2HG PRO 42 2HG PRO 42 -0.580 5.984 -6.323 347 1HD PRO 42 1HD PRO 42 -0.829 5.856 -3.535 348 2HD PRO 42 2HD PRO 42 0.629 6.489 -4.378 349 H THR 43 H THR 43 -3.841 9.750 -5.374 350 HA THR 43 HA THR 43 -5.566 8.943 -3.176 351 HB THR 43 HB THR 43 -7.169 10.057 -5.134 352 HG1 THR 43 HG1 THR 43 -5.888 11.700 -6.088 353 1HG2 THR 43 1HG2 THR 43 -5.364 11.517 -3.163 354 2HG2 THR 43 3HG2 THR 43 -6.829 12.187 -3.925 355 3HG2 THR 43 2HG2 THR 43 -6.961 10.816 -2.810 356 H ALA 44 H ALA 44 -7.620 7.873 -3.583 357 HA ALA 44 HA ALA 44 -7.884 6.152 -5.933 358 1HB ALA 44 3HB ALA 44 -7.469 5.025 -3.134 359 2HB ALA 44 2HB ALA 44 -8.110 4.101 -4.511 360 3HB ALA 44 1HB ALA 44 -6.454 4.740 -4.559 361 H MET 45 H MET 45 -10.031 6.100 -6.406 362 HA MET 45 HA MET 45 -11.948 7.258 -4.483 363 1HB MET 45 2HB MET 45 -12.025 6.817 -7.499 364 2HB MET 45 1HB MET 45 -13.261 7.624 -6.522 365 1HG MET 45 1HG MET 45 -11.455 9.259 -5.785 366 2HG MET 45 2HG MET 45 -10.403 8.558 -7.014 367 1HE MET 45 3HE MET 45 -10.905 8.598 -9.576 368 2HE MET 45 2HE MET 45 -12.607 8.082 -9.444 369 3HE MET 45 1HE MET 45 -12.194 9.563 -10.333 370 CH2 TRP 46 CH2 TRP 46 -20.953 2.538 -4.592 371 H TRP 46 H TRP 46 -14.079 6.332 -4.453 372 HA TRP 46 HA TRP 46 -14.284 3.700 -3.724 373 1HB TRP 46 2HB TRP 46 -15.976 5.635 -3.467 374 2HB TRP 46 1HB TRP 46 -16.430 5.172 -5.079 375 HD1 TRP 46 HD1 TRP 46 -15.837 2.980 -2.139 376 HE1 TRP 46 HE1 TRP 46 -17.909 1.357 -1.830 377 HE3 TRP 46 HE3 TRP 46 -18.760 4.973 -5.628 378 HZ2 TRP 46 HZ2 TRP 46 -20.530 1.115 -3.018 379 HZ3 TRP 46 HZ3 TRP 46 -21.081 4.087 -6.093 380 HH2 TRP 46 HH2 TRP 46 -21.946 2.158 -4.785 381 HA PRO 47 HA PRO 47 -15.428 1.489 -4.062 382 1HB PRO 47 2HB PRO 47 -14.404 -0.922 -4.619 383 2HB PRO 47 1HB PRO 47 -15.870 -0.288 -5.408 384 1HG PRO 47 1HG PRO 47 -13.040 -0.177 -6.494 385 2HG PRO 47 2HG PRO 47 -14.497 -0.812 -7.318 386 1HD PRO 47 1HD PRO 47 -13.659 1.747 -7.724 387 2HD PRO 47 2HD PRO 47 -15.401 1.386 -7.579 388 OH TYR 48 OH TYR 48 -9.785 -3.700 -6.476 389 H TYR 48 H TYR 48 -12.190 2.413 -5.067 390 HA TYR 48 HA TYR 48 -10.995 0.984 -2.728 391 1HB TYR 48 2HB TYR 48 -9.810 2.311 -5.167 392 2HB TYR 48 1HB TYR 48 -8.843 1.760 -3.792 393 HD1 TYR 48 HD2 TYR 48 -8.977 -0.730 -3.138 394 HD2 TYR 48 HD1 TYR 48 -10.481 0.782 -6.884 395 HE1 TYR 48 HE2 TYR 48 -9.059 -3.039 -4.043 396 HE2 TYR 48 HE1 TYR 48 -10.492 -1.513 -7.805 397 HH TYR 48 HH TYR 48 -10.081 -3.749 -7.386 398 H GLN 49 H GLN 49 -9.439 2.021 -1.468 399 HA GLN 49 HA GLN 49 -9.168 4.930 -1.574 400 1HB GLN 49 2HB GLN 49 -11.064 4.526 0.046 401 2HB GLN 49 1HB GLN 49 -9.929 3.483 0.924 402 1HG GLN 49 1HG GLN 49 -10.239 5.703 1.975 403 2HG GLN 49 2HG GLN 49 -8.571 5.264 1.641 404 1HE2 GLN 49 2HE2 GLN 49 -8.016 8.237 -0.171 405 2HE2 GLN 49 1HE2 GLN 49 -7.345 6.950 0.819 406 H THR 50 H THR 50 -7.296 5.496 -0.664 407 HA THR 50 HA THR 50 -5.214 3.461 -0.010 408 HB THR 50 HB THR 50 -3.777 5.646 -0.646 409 HG1 THR 50 HG1 THR 50 -4.752 6.785 -2.280 410 1HG2 THR 50 3HG2 THR 50 -5.038 3.780 -2.689 411 2HG2 THR 50 2HG2 THR 50 -3.587 4.781 -2.948 412 3HG2 THR 50 1HG2 THR 50 -3.564 3.497 -1.731 413 H GLU 51 H GLU 51 -3.832 3.783 1.715 414 HA GLU 51 HA GLU 51 -4.063 6.291 3.282 415 1HB GLU 51 1HB GLU 51 -4.364 5.320 5.343 416 2HB GLU 51 2HB GLU 51 -5.566 4.538 4.321 417 1HG GLU 51 1HG GLU 51 -3.713 2.704 3.996 418 2HG GLU 51 2HG GLU 51 -2.926 3.536 5.338 419 H CYS 52 H CYS 52 -2.090 6.954 4.036 420 HA CYS 52 HA CYS 52 0.194 5.667 2.746 421 1HB CYS 52 1HB CYS 52 0.275 8.251 4.251 422 2HB CYS 52 2HB CYS 52 1.172 7.743 2.817 423 H CYS 53 H CYS 53 2.289 5.629 3.904 424 HA CYS 53 HA CYS 53 2.423 6.062 6.774 425 1HB CYS 53 2HB CYS 53 3.232 3.847 7.327 426 2HB CYS 53 1HB CYS 53 1.591 3.731 6.673 427 H LYS 54 H LYS 54 4.801 5.675 7.445 428 HA LYS 54 HA LYS 54 6.720 6.111 5.255 429 1HB LYS 54 1HB LYS 54 7.845 7.575 6.990 430 2HB LYS 54 2HB LYS 54 6.466 8.295 6.146 431 1HG LYS 54 1HG LYS 54 5.031 7.905 8.103 432 2HG LYS 54 2HG LYS 54 6.349 7.047 8.934 433 1HD LYS 54 1HD LYS 54 7.710 9.120 8.905 434 2HD LYS 54 2HD LYS 54 6.399 9.972 8.061 435 1HE LYS 54 1HE LYS 54 4.884 9.548 9.991 436 2HE LYS 54 2HE LYS 54 6.192 8.692 10.832 437 1HZ LYS 54 3HZ LYS 54 6.231 11.517 10.033 438 2HZ LYS 54 1HZ LYS 54 5.993 10.943 11.558 439 3HZ LYS 54 2HZ LYS 54 7.446 10.722 10.814 440 H GLY 55 H GLY 55 8.697 5.112 5.689 441 1HA GLY 55 2HA GLY 55 10.197 4.091 7.343 442 2HA GLY 55 1HA GLY 55 8.827 3.235 8.053 443 H ASP 56 H ASP 56 11.186 2.037 7.006 444 HA ASP 56 HA ASP 56 10.872 1.130 4.324 445 1HB ASP 56 2HB ASP 56 12.538 0.201 6.684 446 2HB ASP 56 1HB ASP 56 12.511 -0.678 5.153 447 NH1 ARG 57 NH2 ARG 57 9.047 -7.821 6.318 448 NH2 ARG 57 NH1 ARG 57 10.594 -7.435 7.996 449 H ARG 57 H ARG 57 9.561 -0.168 3.501 450 HA ARG 57 HA ARG 57 7.743 -1.448 3.182 451 1HB ARG 57 1HB ARG 57 7.895 -3.725 3.874 452 2HB ARG 57 2HB ARG 57 9.465 -3.181 3.332 453 1HG ARG 57 1HG ARG 57 10.392 -3.233 5.513 454 2HG ARG 57 2HG ARG 57 8.796 -3.279 6.298 455 1HD ARG 57 2HD ARG 57 8.314 -5.432 5.397 456 2HD ARG 57 1HD ARG 57 9.843 -5.491 4.486 457 HE ARG 57 HE ARG 57 10.645 -5.110 7.079 458 1HH1 ARG 57 2HH2 ARG 57 8.462 -7.489 5.558 459 2HH1 ARG 57 1HH2 ARG 57 8.962 -8.785 6.603 460 1HH2 ARG 57 1HH1 ARG 57 11.227 -6.810 8.474 461 2HH2 ARG 57 2HH1 ARG 57 10.510 -8.389 8.313 462 H CYS 58 H CYS 58 7.356 0.604 5.230 463 HA CYS 58 HA CYS 58 5.931 -0.381 7.447 464 1HB CYS 58 1HB CYS 58 4.990 1.839 7.575 465 2HB CYS 58 2HB CYS 58 6.694 1.940 7.137 466 H ASN 59 H ASN 59 4.935 -0.102 4.060 467 HA ASN 59 HA ASN 59 2.102 -0.107 4.650 468 1HB ASN 59 1HB ASN 59 1.873 -0.029 2.254 469 2HB ASN 59 2HB ASN 59 2.949 1.241 2.804 470 1HD2 ASN 59 2HD2 ASN 59 4.156 -0.688 -0.320 471 2HD2 ASN 59 1HD2 ASN 59 2.847 0.365 0.144 472 H LYS 60 H LYS 60 2.719 -2.172 5.924 473 HA LYS 60 HA LYS 60 2.902 -4.666 4.527 474 1HB LYS 60 1HB LYS 60 3.321 -4.353 6.960 475 2HB LYS 60 2HB LYS 60 1.582 -4.086 7.209 476 1HG LYS 60 2HG LYS 60 1.101 -6.344 6.343 477 2HG LYS 60 1HG LYS 60 2.823 -6.609 6.010 478 1HD LYS 60 1HD LYS 60 3.316 -6.314 8.450 479 2HD LYS 60 2HD LYS 60 1.584 -6.123 8.767 480 1HE LYS 60 2HE LYS 60 2.916 -8.605 7.566 481 2HE LYS 60 1HE LYS 60 2.395 -8.427 9.250 482 1HZ LYS 60 3HZ LYS 60 0.152 -8.153 8.465 483 2HZ LYS 60 1HZ LYS 60 0.634 -8.355 6.903 484 3HZ LYS 60 2HZ LYS 60 0.781 -9.595 7.976 No H/Q in entry = 484
Contact the webmaster for help, if required. Sunday, July 7, 2024 8:05:38 PM GMT (wattos1)