NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2035 | 1bbo | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 499 H/Q atoms Start of MODEL 1 1 1H LYS 1 HT1 LYS 1 -7.660 -0.979 -10.303 2 2H LYS 1 HT2 LYS 1 -6.722 -2.393 -10.362 3 3H LYS 1 HT3 LYS 1 -7.217 -1.764 -8.864 4 HA LYS 1 HA LYS 1 -9.052 -2.779 -10.961 5 1HB LYS 1 HB1 LYS 1 -7.825 -4.675 -10.039 6 2HB LYS 1 HB2 LYS 1 -9.387 -4.653 -9.234 7 1HG LYS 1 HG1 LYS 1 -8.336 -3.365 -7.349 8 2HG LYS 1 HG2 LYS 1 -6.776 -3.556 -8.139 9 1HD LYS 1 HD1 LYS 1 -8.584 -5.841 -7.270 10 2HD LYS 1 HD2 LYS 1 -7.154 -5.300 -6.398 11 1HE LYS 1 HE1 LYS 1 -6.197 -6.989 -7.665 12 2HE LYS 1 HE2 LYS 1 -6.012 -5.655 -8.797 13 1HZ LYS 1 HZ1 LYS 1 -7.330 -6.665 -10.225 14 2HZ LYS 1 HZ2 LYS 1 -8.568 -6.819 -9.074 15 3HZ LYS 1 HZ3 LYS 1 -7.372 -8.018 -9.199 16 OH TYR 2 OH TYR 2 -7.537 2.814 -8.411 17 H TYR 2 HN TYR 2 -11.201 -2.645 -10.417 18 HA TYR 2 HA TYR 2 -11.953 -1.612 -7.761 19 1HB TYR 2 HB1 TYR 2 -13.124 0.344 -8.718 20 2HB TYR 2 HB2 TYR 2 -12.578 -0.089 -10.333 21 HD1 TYR 2 HD2 TYR 2 -11.402 0.950 -6.969 22 HD2 TYR 2 HD1 TYR 2 -10.388 0.515 -11.074 23 HE1 TYR 2 HE2 TYR 2 -9.351 2.238 -6.597 24 HE2 TYR 2 HE1 TYR 2 -8.324 1.786 -10.700 25 HH TYR 2 HH TYR 2 -6.809 2.192 -8.340 26 H ILE 3 HN ILE 3 -12.789 -3.926 -8.197 27 HA ILE 3 HA ILE 3 -15.597 -3.654 -9.186 28 HB ILE 3 HB ILE 3 -13.571 -5.869 -9.775 29 1HG1 ILE 3 HG11 ILE 3 -14.098 -3.660 -11.228 30 2HG1 ILE 3 HG12 ILE 3 -15.388 -4.693 -11.827 31 1HG2 ILE 3 HG21 ILE 3 -16.615 -5.827 -9.924 32 2HG2 ILE 3 HG22 ILE 3 -15.583 -7.065 -9.216 33 3HG2 ILE 3 HG23 ILE 3 -15.675 -6.891 -10.965 34 1HD1 ILE 3 HD1 ILE 3 -13.395 -5.013 -13.210 35 2HD1 ILE 3 HD2 ILE 3 -13.695 -6.478 -12.281 36 3HD1 ILE 3 HD3 ILE 3 -12.427 -5.363 -11.782 37 H CYS 4 HN CYS 4 -16.803 -3.915 -7.395 38 HA CYS 4 HA CYS 4 -15.905 -5.170 -5.028 39 1HB CYS 4 HB1 CYS 4 -18.672 -4.666 -6.132 40 2HB CYS 4 HB2 CYS 4 -17.839 -3.765 -4.894 41 H GLU 5 HN GLU 5 -15.526 -7.201 -4.588 42 HA GLU 5 HA GLU 5 -16.130 -9.307 -6.436 43 1HB GLU 5 HB1 GLU 5 -15.357 -10.730 -4.356 44 2HB GLU 5 HB2 GLU 5 -14.995 -9.168 -3.632 45 1HG GLU 5 HG1 GLU 5 -12.973 -9.890 -4.715 46 2HG GLU 5 HG2 GLU 5 -13.659 -8.636 -5.745 47 H GLU 6 HN GLU 6 -17.979 -7.866 -3.976 48 HA GLU 6 HA GLU 6 -19.556 -10.281 -3.493 49 1HB GLU 6 HB1 GLU 6 -20.198 -7.483 -2.505 50 2HB GLU 6 HB2 GLU 6 -18.958 -8.460 -1.729 51 1HG GLU 6 HG1 GLU 6 -21.784 -9.452 -2.191 52 2HG GLU 6 HG2 GLU 6 -21.281 -8.654 -0.704 53 H CYS 7 HN CYS 7 -20.558 -6.955 -4.240 54 HA CYS 7 HA CYS 7 -22.978 -7.913 -5.525 55 1HB CYS 7 HB1 CYS 7 -23.506 -5.625 -5.822 56 2HB CYS 7 HB2 CYS 7 -21.837 -5.149 -5.904 57 H GLY 8 HN GLY 8 -19.887 -6.613 -6.641 58 1HA GLY 8 HA1 GLY 8 -20.532 -7.658 -9.353 59 2HA GLY 8 HA2 GLY 8 -18.914 -7.295 -8.763 60 H ILE 9 HN ILE 9 -20.191 -4.755 -7.576 61 HA ILE 9 HA ILE 9 -21.095 -3.137 -9.712 62 HB ILE 9 HB ILE 9 -21.018 -2.751 -7.066 63 1HG1 ILE 9 HG11 ILE 9 -20.766 -0.617 -9.209 64 2HG1 ILE 9 HG12 ILE 9 -21.134 -0.232 -7.533 65 1HG2 ILE 9 HG21 ILE 9 -18.407 -2.637 -7.242 66 2HG2 ILE 9 HG22 ILE 9 -19.192 -1.370 -6.319 67 3HG2 ILE 9 HG23 ILE 9 -18.644 -1.046 -7.956 68 1HD1 ILE 9 HD1 ILE 9 -22.952 -1.068 -9.554 69 2HD1 ILE 9 HD2 ILE 9 -23.303 -0.780 -7.854 70 3HD1 ILE 9 HD3 ILE 9 -22.852 -2.390 -8.399 71 NH1 ARG 10 NH1 ARG 10 -16.284 -2.614 -18.228 72 NH2 ARG 10 NH2 ARG 10 -15.430 -4.415 -17.110 73 H ARG 10 HN ARG 10 -20.098 -1.844 -11.156 74 HA ARG 10 HA ARG 10 -17.143 -2.183 -11.402 75 1HB ARG 10 HB1 ARG 10 -19.184 -1.289 -13.496 76 2HB ARG 10 HB2 ARG 10 -18.682 -2.959 -13.281 77 1HG ARG 10 HG1 ARG 10 -16.274 -1.509 -13.439 78 2HG ARG 10 HG2 ARG 10 -17.309 -0.789 -14.664 79 1HD ARG 10 HD1 ARG 10 -17.832 -3.164 -15.447 80 2HD ARG 10 HD2 ARG 10 -16.531 -3.707 -14.389 81 HE ARG 10 HE ARG 10 -15.284 -1.772 -15.863 82 1HH1 ARG 10 HH11 ARG 10 -16.618 -1.672 -18.205 83 2HH1 ARG 10 HH12 ARG 10 -16.264 -3.117 -19.092 84 1HH2 ARG 10 HH21 ARG 10 -15.124 -4.822 -16.250 85 2HH2 ARG 10 HH22 ARG 10 -15.396 -4.948 -17.955 86 H ABA 11 HN ABU 11 -16.133 -0.490 -10.512 87 HA ABA 11 HA ABU 11 -17.011 2.241 -11.349 88 1HB ABA 11 HB1 ABU 11 -16.212 2.887 -8.927 89 2HB ABA 11 HB2 ABU 11 -16.432 1.187 -8.566 90 1HG ABA 11 HG1 ABU 11 -18.555 3.035 -9.692 91 2HG ABA 11 HG2 ABU 11 -18.484 2.439 -8.036 92 3HG ABA 11 HG3 ABU 11 -18.773 1.320 -9.363 93 H LYS 12 HN LYS 12 -15.256 1.943 -12.877 94 HA LYS 12 HA LYS 12 -12.600 1.380 -12.383 95 1HB LYS 12 HB1 LYS 12 -12.099 2.997 -14.257 96 2HB LYS 12 HB2 LYS 12 -13.749 3.600 -14.134 97 1HG LYS 12 HG1 LYS 12 -14.535 1.208 -14.498 98 2HG LYS 12 HG2 LYS 12 -12.867 0.796 -14.878 99 1HD LYS 12 HD1 LYS 12 -13.096 2.903 -16.504 100 2HD LYS 12 HD2 LYS 12 -14.803 2.481 -16.420 101 1HE LYS 12 HE1 LYS 12 -12.548 0.600 -17.195 102 2HE LYS 12 HE2 LYS 12 -13.719 1.309 -18.300 103 1HZ LYS 12 HZ1 LYS 12 -14.456 -0.854 -17.796 104 2HZ LYS 12 HZ2 LYS 12 -15.471 0.203 -16.937 105 3HZ LYS 12 HZ3 LYS 12 -14.234 -0.633 -16.127 106 H LYS 13 HN LYS 13 -14.330 4.198 -11.275 107 HA LYS 13 HA LYS 13 -11.811 5.577 -10.640 108 1HB LYS 13 HB1 LYS 13 -13.325 7.402 -9.818 109 2HB LYS 13 HB2 LYS 13 -14.703 6.336 -10.036 110 1HG LYS 13 HG1 LYS 13 -14.656 7.685 -12.003 111 2HG LYS 13 HG2 LYS 13 -14.000 6.132 -12.494 112 1HD LYS 13 HD1 LYS 13 -11.820 7.724 -11.523 113 2HD LYS 13 HD2 LYS 13 -12.750 8.709 -12.641 114 1HE LYS 13 HE1 LYS 13 -12.662 6.858 -14.307 115 2HE LYS 13 HE2 LYS 13 -11.670 5.925 -13.193 116 1HZ LYS 13 HZ1 LYS 13 -10.187 6.964 -14.644 117 2HZ LYS 13 HZ2 LYS 13 -10.113 7.889 -13.222 118 3HZ LYS 13 HZ3 LYS 13 -10.993 8.457 -14.559 119 HA PRO 14 HA PRO 14 -11.545 3.929 -6.515 120 1HB PRO 14 HB1 PRO 14 -9.577 4.939 -5.873 121 2HB PRO 14 HB2 PRO 14 -10.510 6.321 -5.297 122 1HG PRO 14 HG1 PRO 14 -8.730 6.304 -7.512 123 2HG PRO 14 HG2 PRO 14 -9.862 7.592 -7.098 124 1HD PRO 14 HD1 PRO 14 -10.997 7.089 -9.026 125 2HD PRO 14 HD2 PRO 14 -10.017 5.628 -9.263 126 H SER 15 HN SER 15 -12.137 7.421 -6.091 127 HA SER 15 HA SER 15 -13.668 7.504 -3.851 128 1HB SER 15 HB1 SER 15 -13.247 9.510 -5.290 129 2HB SER 15 HB2 SER 15 -14.983 9.390 -4.944 130 HG SER 15 HG1 SER 15 -14.040 9.500 -7.282 131 H MET 16 HN MET 16 -14.919 6.542 -7.023 132 HA MET 16 HA MET 16 -17.612 6.146 -6.111 133 1HB MET 16 HB1 MET 16 -17.640 4.613 -8.234 134 2HB MET 16 HB2 MET 16 -15.984 5.153 -8.475 135 1HG MET 16 HG1 MET 16 -18.528 6.714 -8.576 136 2HG MET 16 HG2 MET 16 -17.191 6.719 -9.694 137 1HE MET 16 HE1 MET 16 -18.987 9.057 -8.656 138 2HE MET 16 HE2 MET 16 -18.321 10.070 -7.375 139 3HE MET 16 HE3 MET 16 -19.040 8.509 -6.980 140 H LEU 17 HN LEU 17 -14.973 3.813 -6.745 141 HA LEU 17 HA LEU 17 -16.482 1.626 -5.606 142 1HB LEU 17 HB1 LEU 17 -13.449 1.754 -5.915 143 2HB LEU 17 HB2 LEU 17 -14.490 1.541 -7.302 144 HG LEU 17 HG LEU 17 -13.497 -0.610 -6.271 145 1HD1 LEU 17 HD11 LEU 17 -13.968 0.073 -3.897 146 2HD1 LEU 17 HD12 LEU 17 -14.523 -1.536 -4.325 147 3HD1 LEU 17 HD13 LEU 17 -15.676 -0.220 -4.222 148 1HD2 LEU 17 HD21 LEU 17 -15.378 -0.739 -7.833 149 2HD2 LEU 17 HD22 LEU 17 -16.517 -0.428 -6.535 150 3HD2 LEU 17 HD23 LEU 17 -15.587 -1.915 -6.547 151 H LYS 18 HN LYS 18 -13.522 3.267 -4.501 152 HA LYS 18 HA LYS 18 -13.131 2.286 -2.005 153 1HB LYS 18 HB1 LYS 18 -13.080 5.124 -3.058 154 2HB LYS 18 HB2 LYS 18 -11.734 4.111 -2.552 155 1HG LYS 18 HG1 LYS 18 -12.750 4.282 -0.170 156 2HG LYS 18 HG2 LYS 18 -13.704 5.615 -0.812 157 1HD LYS 18 HD1 LYS 18 -11.155 6.201 -1.732 158 2HD LYS 18 HD2 LYS 18 -10.846 5.531 -0.135 159 1HE LYS 18 HE1 LYS 18 -12.520 7.096 0.828 160 2HE LYS 18 HE2 LYS 18 -12.790 7.777 -0.772 161 1HZ LYS 18 HZ1 LYS 18 -11.266 9.192 0.235 162 2HZ LYS 18 HZ2 LYS 18 -10.309 8.220 -0.776 163 3HZ LYS 18 HZ3 LYS 18 -10.357 7.919 0.895 164 H LYS 19 HN LYS 19 -15.755 4.480 -2.879 165 HA LYS 19 HA LYS 19 -16.741 4.625 -0.166 166 1HB LYS 19 HB1 LYS 19 -18.860 5.466 -1.568 167 2HB LYS 19 HB2 LYS 19 -17.705 5.503 -2.894 168 1HG LYS 19 HG1 LYS 19 -16.193 6.912 -1.468 169 2HG LYS 19 HG2 LYS 19 -17.455 6.958 -0.242 170 1HD LYS 19 HD1 LYS 19 -19.006 7.855 -2.081 171 2HD LYS 19 HD2 LYS 19 -17.554 8.087 -3.050 172 1HE LYS 19 HE1 LYS 19 -17.705 10.160 -1.996 173 2HE LYS 19 HE2 LYS 19 -16.665 9.297 -0.871 174 1HZ LYS 19 HZ1 LYS 19 -18.171 9.524 0.705 175 2HZ LYS 19 HZ2 LYS 19 -19.370 8.797 -0.253 176 3HZ LYS 19 HZ3 LYS 19 -19.110 10.473 -0.345 177 H HIS 20 HN HIS 20 -17.658 2.922 -3.123 178 HA HIS 20 HA HIS 20 -19.974 1.628 -2.159 179 1HB HIS 20 HB1 HIS 20 -17.857 0.616 -4.099 180 2HB HIS 20 HB2 HIS 20 -19.283 1.548 -4.547 181 HD1 HIS 20 HD1 HIS 20 -21.251 0.086 -5.022 182 HD2 HIS 20 HD2 HIS 20 -18.456 -1.936 -2.863 183 HE1 HIS 20 HE1 HIS 20 -22.119 -2.194 -4.817 184 H ILE 21 HN ILE 21 -16.612 0.444 -2.218 185 HA ILE 21 HA ILE 21 -17.188 -1.995 -0.886 186 HB ILE 21 HB ILE 21 -15.026 -1.500 -2.047 187 1HG1 ILE 21 HG11 ILE 21 -15.139 -2.569 0.732 188 2HG1 ILE 21 HG12 ILE 21 -13.542 -2.210 0.096 189 1HG2 ILE 21 HG21 ILE 21 -14.793 0.832 -1.186 190 2HG2 ILE 21 HG22 ILE 21 -13.339 -0.099 -0.892 191 3HG2 ILE 21 HG23 ILE 21 -14.464 0.214 0.424 192 1HD1 ILE 21 HD1 ILE 21 -13.859 -3.664 -1.777 193 2HD1 ILE 21 HD2 ILE 21 -15.588 -3.795 -1.475 194 3HD1 ILE 21 HD3 ILE 21 -14.442 -4.562 -0.380 195 NH1 ARG 22 NH1 ARG 22 -14.280 6.428 4.411 196 NH2 ARG 22 NH2 ARG 22 -14.871 5.286 6.300 197 H ARG 22 HN ARG 22 -16.554 1.248 0.376 198 HA ARG 22 HA ARG 22 -16.355 0.360 3.139 199 1HB ARG 22 HB1 ARG 22 -17.018 2.890 3.512 200 2HB ARG 22 HB2 ARG 22 -16.868 3.022 1.764 201 1HG ARG 22 HG1 ARG 22 -14.557 2.211 1.869 202 2HG ARG 22 HG2 ARG 22 -14.700 1.953 3.604 203 1HD ARG 22 HD1 ARG 22 -15.480 4.666 2.817 204 2HD ARG 22 HD2 ARG 22 -13.812 4.297 2.384 205 HE ARG 22 HE ARG 22 -13.798 3.442 4.924 206 1HH1 ARG 22 HH11 ARG 22 -13.968 6.409 3.461 207 2HH1 ARG 22 HH12 ARG 22 -14.452 7.304 4.863 208 1HH2 ARG 22 HH21 ARG 22 -15.000 4.411 6.767 209 2HH2 ARG 22 HH22 ARG 22 -15.052 6.143 6.784 210 H THR 23 HN THR 23 -19.001 0.776 0.992 211 HA THR 23 HA THR 23 -20.979 1.378 3.013 212 HB THR 23 HB THR 23 -21.343 0.012 0.274 213 HG1 THR 23 HG1 THR 23 -20.869 2.580 1.233 214 1HG2 THR 23 HG21 THR 23 -23.519 -0.097 1.258 215 2HG2 THR 23 HG22 THR 23 -23.549 1.557 0.658 216 3HG2 THR 23 HG23 THR 23 -23.194 1.239 2.353 217 H HIS 24 HN HIS 24 -19.462 -1.569 1.927 218 HA HIS 24 HA HIS 24 -21.505 -3.345 2.974 219 1HB HIS 24 HB1 HIS 24 -19.462 -4.999 2.952 220 2HB HIS 24 HB2 HIS 24 -18.571 -3.668 2.219 221 HD1 HIS 24 HD1 HIS 24 -21.686 -5.641 1.517 222 HD2 HIS 24 HD2 HIS 24 -18.938 -3.399 -0.492 223 HE1 HIS 24 HE1 HIS 24 -22.235 -5.900 -0.876 224 H THR 25 HN THR 25 -19.979 -1.127 4.622 225 HA THR 25 HA THR 25 -19.087 -2.824 6.879 226 HB THR 25 HB THR 25 -18.358 -0.542 7.784 227 HG1 THR 25 HG1 THR 25 -19.799 0.106 5.478 228 1HG2 THR 25 HG21 THR 25 -17.670 -1.107 4.855 229 2HG2 THR 25 HG22 THR 25 -16.719 -1.618 6.244 230 3HG2 THR 25 HG23 THR 25 -16.828 0.090 5.832 231 H ASP 26 HN ASP 26 -20.149 0.167 7.836 232 HA ASP 26 HA ASP 26 -22.913 -0.650 8.427 233 1HB ASP 26 HB1 ASP 26 -22.569 -0.200 10.890 234 2HB ASP 26 HB2 ASP 26 -20.845 0.005 10.593 235 H VAL 27 HN VAL 27 -21.561 1.305 6.855 236 HA VAL 27 HA VAL 27 -22.113 3.838 8.285 237 HB VAL 27 HB VAL 27 -19.998 3.639 7.035 238 1HG1 VAL 27 HG11 VAL 27 -20.813 1.934 5.405 239 2HG1 VAL 27 HG12 VAL 27 -19.958 3.252 4.624 240 3HG1 VAL 27 HG13 VAL 27 -21.714 3.187 4.576 241 1HG2 VAL 27 HG21 VAL 27 -21.849 5.713 6.748 242 2HG2 VAL 27 HG22 VAL 27 -21.287 5.414 5.107 243 3HG2 VAL 27 HG23 VAL 27 -20.131 5.801 6.376 244 NH1 ARG 28 NH2 ARG 28 -27.634 -1.559 2.292 245 NH2 ARG 28 NH1 ARG 28 -26.522 -2.835 3.826 246 H ARG 28 HN ARG 28 -24.396 2.438 7.829 247 HA ARG 28 HA ARG 28 -25.709 3.866 5.550 248 1HB ARG 28 HB1 ARG 28 -27.440 1.975 5.852 249 2HB ARG 28 HB2 ARG 28 -26.283 1.221 6.942 250 1HG ARG 28 HG1 ARG 28 -24.599 1.542 4.962 251 2HG ARG 28 HG2 ARG 28 -26.046 1.706 3.980 252 1HD ARG 28 HD1 ARG 28 -26.709 -0.503 5.421 253 2HD ARG 28 HD2 ARG 28 -24.959 -0.696 5.350 254 HE ARG 28 HE ARG 28 -25.419 -0.251 2.761 255 1HH1 ARG 28 HH21 ARG 28 -27.744 -0.680 1.827 256 2HH1 ARG 28 HH22 ARG 28 -28.239 -2.323 2.066 257 1HH2 ARG 28 HH11 ARG 28 -25.797 -2.914 4.511 258 2HH2 ARG 28 HH12 ARG 28 -27.108 -3.621 3.626 259 HA PRO 29 HA PRO 29 -27.465 5.637 9.470 260 1HB PRO 29 HB1 PRO 29 -26.822 7.833 9.301 261 2HB PRO 29 HB2 PRO 29 -28.009 8.089 8.022 262 1HG PRO 29 HG1 PRO 29 -25.123 7.885 7.765 263 2HG PRO 29 HG2 PRO 29 -26.303 8.217 6.496 264 1HD PRO 29 HD1 PRO 29 -26.107 6.093 5.697 265 2HD PRO 29 HD2 PRO 29 -24.818 5.803 6.876 266 OH TYR 30 OH TYR 30 -29.104 10.635 3.136 267 H TYR 30 HN TYR 30 -28.687 5.447 6.208 268 HA TYR 30 HA TYR 30 -31.395 6.282 6.929 269 1HB TYR 30 HB1 TYR 30 -31.947 5.409 4.623 270 2HB TYR 30 HB2 TYR 30 -30.314 4.774 4.494 271 HD1 TYR 30 HD1 TYR 30 -32.052 7.991 5.331 272 HD2 TYR 30 HD2 TYR 30 -28.704 6.141 3.469 273 HE1 TYR 30 HE1 TYR 30 -31.272 10.180 4.550 274 HE2 TYR 30 HE2 TYR 30 -27.923 8.329 2.695 275 HH TYR 30 HH TYR 30 -29.738 10.968 2.496 276 H HIS 31 HN HIS 31 -32.008 4.940 8.657 277 HA HIS 31 HA HIS 31 -32.148 2.012 8.108 278 1HB HIS 31 HB1 HIS 31 -32.489 1.765 10.501 279 2HB HIS 31 HB2 HIS 31 -32.879 3.473 10.686 280 HD1 HIS 31 HD1 HIS 31 -29.972 1.316 10.004 281 HD2 HIS 31 HD2 HIS 31 -30.711 5.178 10.994 282 HE1 HIS 31 HE1 HIS 31 -27.793 2.255 10.513 283 H CYS 32 HN CYS 32 -34.052 0.941 7.834 284 HA CYS 32 HA CYS 32 -36.395 2.363 7.093 285 1HB CYS 32 HB1 CYS 32 -35.832 -0.496 7.933 286 2HB CYS 32 HB2 CYS 32 -36.235 0.104 6.345 287 H THR 33 HN THR 33 -38.418 2.572 8.173 288 HA THR 33 HA THR 33 -38.080 3.134 11.032 289 HB THR 33 HB THR 33 -40.697 3.297 9.444 290 HG1 THR 33 HG1 THR 33 -39.786 5.487 9.084 291 1HG2 THR 33 HG21 THR 33 -40.657 3.871 11.949 292 2HG2 THR 33 HG22 THR 33 -41.040 5.261 10.939 293 3HG2 THR 33 HG23 THR 33 -39.419 5.071 11.599 294 OH TYR 34 OH TYR 34 -44.762 2.420 9.215 295 H TYR 34 HN TYR 34 -38.281 0.334 9.699 296 HA TYR 34 HA TYR 34 -39.995 -0.784 11.853 297 1HB TYR 34 HB1 TYR 34 -41.060 -2.350 10.225 298 2HB TYR 34 HB2 TYR 34 -40.163 -1.608 8.909 299 HD1 TYR 34 HD2 TYR 34 -40.610 0.836 8.358 300 HD2 TYR 34 HD1 TYR 34 -43.078 -1.370 11.029 301 HE1 TYR 34 HE2 TYR 34 -42.404 2.482 8.063 302 HE2 TYR 34 HE1 TYR 34 -44.870 0.278 10.731 303 HH TYR 34 HH TYR 34 -45.602 1.957 9.263 304 H CYS 35 HN CYS 35 -38.208 -1.942 9.009 305 HA CYS 35 HA CYS 35 -37.199 -4.280 10.339 306 1HB CYS 35 HB1 CYS 35 -35.792 -4.522 8.361 307 2HB CYS 35 HB2 CYS 35 -35.981 -2.839 7.960 308 H ASN 36 HN ASN 36 -34.662 -4.567 9.966 309 HA ASN 36 HA ASN 36 -33.374 -2.431 11.614 310 1HB ASN 36 HB1 ASN 36 -32.278 -5.243 11.319 311 2HB ASN 36 HB2 ASN 36 -33.651 -4.980 12.392 312 1HD2 ASN 36 HD21 ASN 36 -30.382 -5.218 12.505 313 2HD2 ASN 36 HD22 ASN 36 -30.044 -4.169 13.796 314 H PHE 37 HN PHE 37 -33.697 -3.274 8.571 315 HA PHE 37 HA PHE 37 -30.880 -3.406 7.754 316 1HB PHE 37 HB1 PHE 37 -33.167 -2.827 5.859 317 2HB PHE 37 HB2 PHE 37 -33.071 -4.424 6.600 318 HD1 PHE 37 HD2 PHE 37 -30.902 -5.748 6.339 319 HD2 PHE 37 HD1 PHE 37 -31.716 -2.240 4.069 320 HE1 PHE 37 HE2 PHE 37 -29.176 -6.395 4.714 321 HE2 PHE 37 HE1 PHE 37 -29.987 -2.889 2.449 322 HZ PHE 37 HZ PHE 37 -28.716 -4.965 2.772 323 H SER 38 HN SER 38 -30.015 -1.825 6.200 324 HA SER 38 HA SER 38 -31.292 0.823 6.294 325 1HB SER 38 HB1 SER 38 -28.428 0.411 7.274 326 2HB SER 38 HB2 SER 38 -29.814 0.628 8.356 327 HG SER 38 HG1 SER 38 -29.399 2.676 7.985 328 H PHE 39 HN PHE 39 -29.989 2.436 5.033 329 HA PHE 39 HA PHE 39 -28.450 1.117 2.847 330 1HB PHE 39 HB1 PHE 39 -29.799 2.250 1.200 331 2HB PHE 39 HB2 PHE 39 -30.514 3.306 2.416 332 HD1 PHE 39 HD2 PHE 39 -32.061 2.318 4.142 333 HD2 PHE 39 HD1 PHE 39 -30.715 0.046 0.805 334 HE1 PHE 39 HE2 PHE 39 -33.860 0.695 4.525 335 HE2 PHE 39 HE1 PHE 39 -32.522 -1.576 1.189 336 HZ PHE 39 HZ PHE 39 -34.087 -1.257 3.059 337 H LYS 40 HN LYS 40 -27.148 2.598 1.608 338 HA LYS 40 HA LYS 40 -25.954 4.659 3.332 339 1HB LYS 40 HB1 LYS 40 -25.283 3.536 0.568 340 2HB LYS 40 HB2 LYS 40 -24.485 3.151 2.077 341 1HG LYS 40 HG1 LYS 40 -24.439 5.851 0.681 342 2HG LYS 40 HG2 LYS 40 -23.103 4.721 0.810 343 1HD LYS 40 HD1 LYS 40 -23.482 4.904 3.373 344 2HD LYS 40 HD2 LYS 40 -24.367 6.371 2.987 345 1HE LYS 40 HE1 LYS 40 -22.006 6.898 3.440 346 2HE LYS 40 HE2 LYS 40 -22.386 7.221 1.754 347 1HZ LYS 40 HZ1 LYS 40 -20.511 5.401 2.851 348 2HZ LYS 40 HZ2 LYS 40 -20.711 5.900 1.240 349 3HZ LYS 40 HZ3 LYS 40 -21.607 4.588 1.839 350 H THR 41 HN THR 41 -28.239 4.482 0.815 351 HA THR 41 HA THR 41 -28.087 7.453 0.483 352 HB THR 41 HB THR 41 -28.505 7.205 -1.890 353 HG1 THR 41 HG1 THR 41 -29.077 4.948 -2.526 354 1HG2 THR 41 HG21 THR 41 -27.057 4.566 -1.342 355 2HG2 THR 41 HG22 THR 41 -26.227 6.088 -1.034 356 3HG2 THR 41 HG23 THR 41 -26.770 5.696 -2.662 357 H LYS 42 HN LYS 42 -30.080 8.478 -0.017 358 HA LYS 42 HA LYS 42 -32.277 7.358 1.482 359 1HB LYS 42 HB1 LYS 42 -31.986 9.874 -0.219 360 2HB LYS 42 HB2 LYS 42 -31.885 9.780 1.535 361 1HG LYS 42 HG1 LYS 42 -34.286 8.837 1.451 362 2HG LYS 42 HG2 LYS 42 -34.322 9.401 -0.217 363 1HD LYS 42 HD1 LYS 42 -33.782 11.688 0.532 364 2HD LYS 42 HD2 LYS 42 -33.702 11.133 2.200 365 1HE LYS 42 HE1 LYS 42 -35.918 12.206 1.456 366 2HE LYS 42 HE2 LYS 42 -36.035 10.647 2.261 367 1HZ LYS 42 HZ1 LYS 42 -35.799 10.727 -0.662 368 2HZ LYS 42 HZ2 LYS 42 -37.297 11.083 0.055 369 3HZ LYS 42 HZ3 LYS 42 -36.560 9.578 0.331 370 H GLY 43 HN GLY 43 -31.271 7.340 -1.787 371 1HA GLY 43 HA1 GLY 43 -32.274 6.434 -3.709 372 2HA GLY 43 HA2 GLY 43 -33.781 7.129 -3.120 373 H ASN 44 HN ASN 44 -31.595 4.484 -2.168 374 HA ASN 44 HA ASN 44 -33.319 2.356 -2.708 375 1HB ASN 44 HB1 ASN 44 -32.021 1.262 -0.696 376 2HB ASN 44 HB2 ASN 44 -31.144 2.787 -0.636 377 1HD2 ASN 44 HD21 ASN 44 -30.689 3.482 -3.217 378 2HD2 ASN 44 HD22 ASN 44 -29.861 2.264 -4.060 379 H LEU 45 HN LEU 45 -33.260 4.509 0.062 380 HA LEU 45 HA LEU 45 -34.893 3.048 1.838 381 1HB LEU 45 HB1 LEU 45 -35.192 6.039 1.406 382 2HB LEU 45 HB2 LEU 45 -33.691 5.399 2.050 383 HG LEU 45 HG LEU 45 -35.285 6.118 3.845 384 1HD1 LEU 45 HD11 LEU 45 -37.032 3.773 3.040 385 2HD1 LEU 45 HD12 LEU 45 -37.342 5.410 2.477 386 3HD1 LEU 45 HD13 LEU 45 -37.381 5.047 4.197 387 1HD2 LEU 45 HD21 LEU 45 -34.656 4.407 5.255 388 2HD2 LEU 45 HD22 LEU 45 -33.654 3.982 3.879 389 3HD2 LEU 45 HD23 LEU 45 -35.169 3.141 4.150 390 H THR 46 HN THR 46 -35.960 5.625 -0.388 391 HA THR 46 HA THR 46 -38.724 5.196 -0.098 392 HB THR 46 HB THR 46 -37.259 5.974 -2.694 393 HG1 THR 46 HG1 THR 46 -36.625 7.158 -0.842 394 1HG2 THR 46 HG21 THR 46 -39.311 7.031 -3.298 395 2HG2 THR 46 HG22 THR 46 -39.839 7.165 -1.624 396 3HG2 THR 46 HG23 THR 46 -39.938 5.617 -2.458 397 H LYS 47 HN LYS 47 -36.357 3.495 -2.039 398 HA LYS 47 HA LYS 47 -38.238 2.006 -3.624 399 1HB LYS 47 HB1 LYS 47 -35.501 0.989 -2.762 400 2HB LYS 47 HB2 LYS 47 -35.651 2.301 -3.925 401 1HG LYS 47 HG1 LYS 47 -37.395 -0.018 -4.479 402 2HG LYS 47 HG2 LYS 47 -35.673 -0.366 -4.586 403 1HD LYS 47 HD1 LYS 47 -35.352 1.474 -6.158 404 2HD LYS 47 HD2 LYS 47 -37.031 1.968 -5.974 405 1HE LYS 47 HE1 LYS 47 -36.373 0.471 -8.021 406 2HE LYS 47 HE2 LYS 47 -37.844 0.094 -7.134 407 1HZ LYS 47 HZ1 LYS 47 -36.883 -1.708 -6.120 408 2HZ LYS 47 HZ2 LYS 47 -35.298 -1.141 -6.339 409 3HZ LYS 47 HZ3 LYS 47 -36.166 -1.765 -7.658 410 H HIS 48 HN HIS 48 -36.872 1.540 -0.428 411 HA HIS 48 HA HIS 48 -37.980 -1.178 -0.241 412 1HB HIS 48 HB1 HIS 48 -36.557 0.654 1.752 413 2HB HIS 48 HB2 HIS 48 -35.899 -0.776 0.962 414 HD1 HIS 48 HD1 HIS 48 -37.468 -2.975 1.597 415 HD2 HIS 48 HD2 HIS 48 -37.525 0.115 4.274 416 HE1 HIS 48 HE1 HIS 48 -38.298 -3.939 3.685 417 H MET 49 HN MET 49 -38.985 2.036 0.420 418 HA MET 49 HA MET 49 -41.071 1.138 2.314 419 1HB MET 49 HB1 MET 49 -41.673 3.696 2.087 420 2HB MET 49 HB2 MET 49 -40.129 3.823 1.252 421 1HG MET 49 HG1 MET 49 -39.653 4.265 3.529 422 2HG MET 49 HG2 MET 49 -39.080 2.648 3.220 423 1HE MET 49 HE1 MET 49 -40.057 4.004 6.554 424 2HE MET 49 HE2 MET 49 -38.747 3.391 5.545 425 3HE MET 49 HE3 MET 49 -39.535 2.326 6.710 426 H LYS 50 HN LYS 50 -40.707 2.090 -1.021 427 HA LYS 50 HA LYS 50 -43.458 2.608 -1.594 428 1HB LYS 50 HB1 LYS 50 -41.570 1.263 -3.560 429 2HB LYS 50 HB2 LYS 50 -41.288 2.929 -3.067 430 1HG LYS 50 HG1 LYS 50 -44.066 2.205 -3.895 431 2HG LYS 50 HG2 LYS 50 -42.853 2.317 -5.165 432 1HD LYS 50 HD1 LYS 50 -42.265 4.588 -4.449 433 2HD LYS 50 HD2 LYS 50 -43.391 4.479 -3.101 434 1HE LYS 50 HE1 LYS 50 -45.173 4.950 -4.423 435 2HE LYS 50 HE2 LYS 50 -44.648 3.819 -5.664 436 1HZ LYS 50 HZ1 LYS 50 -44.706 6.205 -6.337 437 2HZ LYS 50 HZ2 LYS 50 -43.221 5.425 -6.596 438 3HZ LYS 50 HZ3 LYS 50 -43.408 6.479 -5.277 439 H SER 51 HN SER 51 -41.628 -0.344 -1.264 440 HA SER 51 HA SER 51 -43.478 -2.108 -2.540 441 1HB SER 51 HB1 SER 51 -41.454 -2.507 -0.277 442 2HB SER 51 HB2 SER 51 -41.277 -2.978 -1.978 443 HG SER 51 HG1 SER 51 -42.153 -4.781 -1.328 444 H LYS 52 HN LYS 52 -45.031 -3.507 -1.597 445 HA LYS 52 HA LYS 52 -46.687 -2.185 0.377 446 1HB LYS 52 HB1 LYS 52 -47.728 -3.545 -1.381 447 2HB LYS 52 HB2 LYS 52 -48.064 -4.318 0.163 448 1HG LYS 52 HG1 LYS 52 -46.109 -5.829 -0.200 449 2HG LYS 52 HG2 LYS 52 -45.860 -5.091 -1.778 450 1HD LYS 52 HD1 LYS 52 -47.232 -6.775 -2.497 451 2HD LYS 52 HD2 LYS 52 -48.511 -5.705 -1.935 452 1HE LYS 52 HE1 LYS 52 -47.251 -8.026 -0.452 453 2HE LYS 52 HE2 LYS 52 -48.937 -7.836 -0.918 454 1HZ LYS 52 HZ1 LYS 52 -48.729 -7.350 1.382 455 2HZ LYS 52 HZ2 LYS 52 -49.025 -5.886 0.575 456 3HZ LYS 52 HZ3 LYS 52 -47.457 -6.260 1.108 457 H ALA 53 HN ALA 53 -43.897 -3.329 1.045 458 HA ALA 53 HA ALA 53 -44.106 -5.473 2.850 459 1HB ALA 53 HB1 ALA 53 -42.367 -2.961 2.947 460 2HB ALA 53 HB2 ALA 53 -41.924 -4.524 2.268 461 3HB ALA 53 HB3 ALA 53 -42.121 -4.344 4.008 462 H HIS 54 HN HIS 54 -43.492 -2.318 4.270 463 HA HIS 54 HA HIS 54 -45.967 -2.530 5.866 464 1HB HIS 54 HB1 HIS 54 -44.638 -3.578 7.455 465 2HB HIS 54 HB2 HIS 54 -44.263 -1.913 7.872 466 HD1 HIS 54 HD1 HIS 54 -42.746 -4.901 6.474 467 HD2 HIS 54 HD2 HIS 54 -41.665 -0.980 6.904 468 HE1 HIS 54 HE1 HIS 54 -40.319 -4.854 6.169 469 H SER 55 HN SER 55 -46.613 -0.673 4.784 470 HA SER 55 HA SER 55 -45.486 1.794 5.966 471 1HB SER 55 HB1 SER 55 -45.687 1.187 2.972 472 2HB SER 55 HB2 SER 55 -44.273 1.775 3.868 473 HG SER 55 HG1 SER 55 -45.527 3.431 2.743 474 H LYS 56 HN LYS 56 -47.665 1.205 7.001 475 HA LYS 56 HA LYS 56 -50.048 1.745 5.415 476 1HB LYS 56 HB1 LYS 56 -51.209 1.587 7.605 477 2HB LYS 56 HB2 LYS 56 -49.668 1.684 8.449 478 1HG LYS 56 HG1 LYS 56 -48.948 -0.405 7.239 479 2HG LYS 56 HG2 LYS 56 -50.575 -0.528 6.578 480 1HD LYS 56 HD1 LYS 56 -50.845 -1.832 8.473 481 2HD LYS 56 HD2 LYS 56 -51.245 -0.259 9.153 482 1HE LYS 56 HE1 LYS 56 -49.649 -0.987 10.684 483 2HE LYS 56 HE2 LYS 56 -48.627 -0.117 9.547 484 1HZ LYS 56 HZ1 LYS 56 -48.517 -2.812 10.257 485 2HZ LYS 56 HZ2 LYS 56 -47.533 -1.973 9.156 486 3HZ LYS 56 HZ3 LYS 56 -48.952 -2.734 8.618 487 H LYS 57 HN LYS 57 -48.399 3.858 5.002 488 HA LYS 57 HA LYS 57 -48.590 6.049 6.740 489 1HB LYS 57 HB1 LYS 57 -48.860 6.369 3.735 490 2HB LYS 57 HB2 LYS 57 -47.360 5.755 4.422 491 1HG LYS 57 HG1 LYS 57 -47.238 7.769 5.888 492 2HG LYS 57 HG2 LYS 57 -48.696 8.391 5.123 493 1HD LYS 57 HD1 LYS 57 -47.444 8.137 2.891 494 2HD LYS 57 HD2 LYS 57 -45.989 7.913 3.856 495 1HE LYS 57 HE1 LYS 57 -47.665 10.359 3.490 496 2HE LYS 57 HE2 LYS 57 -45.917 10.212 3.614 497 1HZ LYS 57 HZ1 LYS 57 -45.997 10.101 5.898 498 2HZ LYS 57 HZ2 LYS 57 -47.626 9.623 5.937 499 3HZ LYS 57 LYS 57 -47.220 11.227 5.555 Start of MODEL 2 Raw file had 499 H/Q atoms Start of MODEL 2 1 1H LYS 1 HT1 LYS 1 -10.789 -5.690 -10.151 2 2H LYS 1 HT2 LYS 1 -9.483 -5.986 -9.105 3 3H LYS 1 HT3 LYS 1 -9.229 -5.919 -10.783 4 HA LYS 1 HA LYS 1 -8.540 -3.909 -9.447 5 1HB LYS 1 HB1 LYS 1 -9.289 -2.396 -11.233 6 2HB LYS 1 HB2 LYS 1 -10.609 -3.479 -11.658 7 1HG LYS 1 HG1 LYS 1 -9.199 -5.021 -12.677 8 2HG LYS 1 HG2 LYS 1 -7.817 -4.568 -11.687 9 1HD LYS 1 HD1 LYS 1 -7.589 -3.791 -14.051 10 2HD LYS 1 HD2 LYS 1 -7.591 -2.456 -12.905 11 1HE LYS 1 HE1 LYS 1 -9.108 -2.257 -15.010 12 2HE LYS 1 HE2 LYS 1 -9.801 -1.830 -13.450 13 1HZ LYS 1 HZ1 LYS 1 -10.029 -4.616 -14.240 14 2HZ LYS 1 HZ2 LYS 1 -10.950 -3.506 -15.136 15 3HZ LYS 1 HZ3 LYS 1 -11.148 -3.611 -13.453 16 OH TYR 2 OH TYR 2 -7.292 2.428 -8.372 17 H TYR 2 HN TYR 2 -10.910 -2.013 -10.382 18 HA TYR 2 HA TYR 2 -11.921 -1.706 -7.638 19 1HB TYR 2 HB1 TYR 2 -13.034 0.315 -8.590 20 2HB TYR 2 HB2 TYR 2 -12.529 -0.169 -10.205 21 HD1 TYR 2 HD2 TYR 2 -11.256 0.840 -6.867 22 HD2 TYR 2 HD1 TYR 2 -10.314 0.287 -10.976 23 HE1 TYR 2 HE2 TYR 2 -9.118 1.995 -6.533 24 HE2 TYR 2 HE1 TYR 2 -8.170 1.429 -10.638 25 HH TYR 2 HH TYR 2 -6.672 2.095 -9.026 26 H ILE 3 HN ILE 3 -12.793 -4.086 -8.484 27 HA ILE 3 HA ILE 3 -15.681 -3.611 -9.116 28 HB ILE 3 HB ILE 3 -14.099 -6.158 -9.681 29 1HG1 ILE 3 HG11 ILE 3 -13.085 -4.326 -10.958 30 2HG1 ILE 3 HG12 ILE 3 -14.669 -3.817 -11.534 31 1HG2 ILE 3 HG21 ILE 3 -16.598 -5.103 -11.069 32 2HG2 ILE 3 HG22 ILE 3 -16.725 -5.999 -9.559 33 3HG2 ILE 3 HG23 ILE 3 -16.023 -6.765 -10.981 34 1HD1 ILE 3 HD1 ILE 3 -14.949 -5.786 -12.838 35 2HD1 ILE 3 HD2 ILE 3 -13.657 -6.631 -11.990 36 3HD1 ILE 3 HD3 ILE 3 -13.270 -5.324 -13.106 37 H CYS 4 HN CYS 4 -16.883 -3.955 -7.340 38 HA CYS 4 HA CYS 4 -15.876 -5.320 -5.053 39 1HB CYS 4 HB1 CYS 4 -18.705 -4.658 -5.904 40 2HB CYS 4 HB2 CYS 4 -17.707 -3.751 -4.803 41 H GLU 5 HN GLU 5 -15.378 -7.362 -5.009 42 HA GLU 5 HA GLU 5 -16.349 -9.346 -6.779 43 1HB GLU 5 HB1 GLU 5 -15.456 -10.911 -4.855 44 2HB GLU 5 HB2 GLU 5 -14.947 -9.410 -4.091 45 1HG GLU 5 HG1 GLU 5 -14.087 -10.502 -6.783 46 2HG GLU 5 HG2 GLU 5 -13.070 -10.140 -5.391 47 H GLU 6 HN GLU 6 -17.785 -8.006 -3.958 48 HA GLU 6 HA GLU 6 -19.453 -10.330 -3.442 49 1HB GLU 6 HB1 GLU 6 -19.980 -7.547 -2.372 50 2HB GLU 6 HB2 GLU 6 -18.627 -8.484 -1.752 51 1HG GLU 6 HG1 GLU 6 -20.144 -10.315 -1.131 52 2HG GLU 6 HG2 GLU 6 -21.511 -9.441 -1.818 53 H CYS 7 HN CYS 7 -20.333 -6.948 -4.151 54 HA CYS 7 HA CYS 7 -22.912 -7.807 -5.205 55 1HB CYS 7 HB1 CYS 7 -23.305 -5.469 -5.612 56 2HB CYS 7 HB2 CYS 7 -21.605 -5.108 -5.639 57 H GLY 8 HN GLY 8 -20.067 -6.223 -6.606 58 1HA GLY 8 HA1 GLY 8 -20.810 -7.411 -9.249 59 2HA GLY 8 HA2 GLY 8 -19.148 -7.141 -8.731 60 H ILE 9 HN ILE 9 -20.219 -4.527 -7.481 61 HA ILE 9 HA ILE 9 -21.114 -2.882 -9.619 62 HB ILE 9 HB ILE 9 -21.068 -2.428 -7.029 63 1HG1 ILE 9 HG11 ILE 9 -20.627 -0.489 -9.269 64 2HG1 ILE 9 HG12 ILE 9 -20.600 0.126 -7.621 65 1HG2 ILE 9 HG21 ILE 9 -18.441 -1.063 -7.790 66 2HG2 ILE 9 HG22 ILE 9 -18.460 -2.666 -7.064 67 3HG2 ILE 9 HG23 ILE 9 -19.112 -1.296 -6.183 68 1HD1 ILE 9 HD1 ILE 9 -22.817 -1.718 -8.482 69 2HD1 ILE 9 HD2 ILE 9 -22.892 -0.011 -8.905 70 3HD1 ILE 9 HD3 ILE 9 -22.825 -0.496 -7.214 71 NH1 ARG 10 NH2 ARG 10 -17.283 -4.019 -17.561 72 NH2 ARG 10 NH1 ARG 10 -15.992 -5.531 -16.434 73 H ARG 10 HN ARG 10 -20.067 -1.904 -11.236 74 HA ARG 10 HA ARG 10 -17.106 -2.278 -11.369 75 1HB ARG 10 HB1 ARG 10 -19.004 -1.516 -13.629 76 2HB ARG 10 HB2 ARG 10 -18.676 -3.190 -13.201 77 1HG ARG 10 HG1 ARG 10 -16.223 -1.608 -13.453 78 2HG ARG 10 HG2 ARG 10 -17.159 -1.623 -14.942 79 1HD ARG 10 HD1 ARG 10 -16.550 -4.154 -13.389 80 2HD ARG 10 HD2 ARG 10 -15.493 -3.548 -14.663 81 HE ARG 10 HE ARG 10 -18.357 -4.273 -15.151 82 1HH1 ARG 10 HH21 ARG 10 -17.970 -3.294 -17.537 83 2HH1 ARG 10 HH22 ARG 10 -16.901 -4.316 -18.437 84 1HH2 ARG 10 HH11 ARG 10 -15.712 -5.937 -15.565 85 2HH2 ARG 10 HH12 ARG 10 -15.588 -5.852 -17.291 86 H ABA 11 HN ABU 11 -16.180 -0.515 -10.489 87 HA ABA 11 HA ABU 11 -17.060 2.151 -11.553 88 1HB ABA 11 HB1 ABU 11 -16.278 3.089 -9.398 89 2HB ABA 11 HB2 ABU 11 -15.791 1.500 -8.859 90 1HG ABA 11 HG1 ABU 11 -17.950 1.875 -7.887 91 2HG ABA 11 HG2 ABU 11 -18.222 0.776 -9.236 92 3HG ABA 11 HG3 ABU 11 -18.598 2.489 -9.405 93 H LYS 12 HN LYS 12 -15.640 2.523 -13.122 94 HA LYS 12 HA LYS 12 -12.934 1.684 -13.153 95 1HB LYS 12 HB1 LYS 12 -12.725 3.265 -15.057 96 2HB LYS 12 HB2 LYS 12 -14.236 4.037 -14.591 97 1HG LYS 12 HG1 LYS 12 -15.446 1.917 -14.952 98 2HG LYS 12 HG2 LYS 12 -13.938 1.117 -15.378 99 1HD LYS 12 HD1 LYS 12 -13.657 2.769 -17.252 100 2HD LYS 12 HD2 LYS 12 -15.247 3.417 -16.867 101 1HE LYS 12 HE1 LYS 12 -14.541 0.675 -17.919 102 2HE LYS 12 HE2 LYS 12 -15.683 1.839 -18.579 103 1HZ LYS 12 HZ1 LYS 12 -16.868 1.494 -16.325 104 2HZ LYS 12 HZ2 LYS 12 -15.984 0.046 -16.274 105 3HZ LYS 12 HZ3 LYS 12 -17.056 0.343 -17.558 106 H LYS 13 HN LYS 13 -14.074 3.619 -10.881 107 HA LYS 13 HA LYS 13 -11.526 5.134 -10.748 108 1HB LYS 13 HB1 LYS 13 -12.950 7.089 -9.815 109 2HB LYS 13 HB2 LYS 13 -14.347 6.217 -10.438 110 1HG LYS 13 HG1 LYS 13 -13.334 6.228 -12.703 111 2HG LYS 13 HG2 LYS 13 -11.949 7.111 -12.076 112 1HD LYS 13 HD1 LYS 13 -14.620 8.285 -11.481 113 2HD LYS 13 HD2 LYS 13 -14.110 8.340 -13.163 114 1HE LYS 13 HE1 LYS 13 -12.306 9.224 -10.898 115 2HE LYS 13 HE2 LYS 13 -13.409 10.330 -11.706 116 1HZ LYS 13 HZ1 LYS 13 -12.159 9.107 -13.765 117 2HZ LYS 13 HZ2 LYS 13 -10.917 9.242 -12.615 118 3HZ LYS 13 HZ3 LYS 13 -11.750 10.628 -13.130 119 HA PRO 14 HA PRO 14 -11.446 3.701 -6.549 120 1HB PRO 14 HB1 PRO 14 -9.405 4.598 -5.954 121 2HB PRO 14 HB2 PRO 14 -10.249 6.042 -5.399 122 1HG PRO 14 HG1 PRO 14 -8.475 5.897 -7.605 123 2HG PRO 14 HG2 PRO 14 -9.551 7.245 -7.228 124 1HD PRO 14 HD1 PRO 14 -10.692 6.752 -9.155 125 2HD PRO 14 HD2 PRO 14 -9.781 5.241 -9.347 126 H SER 15 HN SER 15 -11.750 7.228 -6.194 127 HA SER 15 HA SER 15 -13.278 7.543 -4.004 128 1HB SER 15 HB1 SER 15 -12.709 9.276 -5.916 129 2HB SER 15 HB2 SER 15 -14.197 9.554 -4.992 130 HG SER 15 HG1 SER 15 -15.367 8.887 -6.638 131 H MET 16 HN MET 16 -14.644 6.466 -7.094 132 HA MET 16 HA MET 16 -17.334 6.273 -6.083 133 1HB MET 16 HB1 MET 16 -17.492 4.639 -8.149 134 2HB MET 16 HB2 MET 16 -15.837 5.154 -8.471 135 1HG MET 16 HG1 MET 16 -16.586 7.512 -8.416 136 2HG MET 16 HG2 MET 16 -18.224 6.980 -8.151 137 1HE MET 16 HE1 MET 16 -19.336 5.370 -9.504 138 2HE MET 16 HE2 MET 16 -19.392 5.399 -11.267 139 3HE MET 16 HE3 MET 16 -19.977 6.783 -10.343 140 H LEU 17 HN LEU 17 -14.846 3.782 -6.725 141 HA LEU 17 HA LEU 17 -16.385 1.660 -5.550 142 1HB LEU 17 HB1 LEU 17 -13.340 1.779 -5.639 143 2HB LEU 17 HB2 LEU 17 -14.266 1.569 -7.105 144 HG LEU 17 HG LEU 17 -13.448 -0.604 -6.109 145 1HD1 LEU 17 HD11 LEU 17 -13.811 0.212 -3.719 146 2HD1 LEU 17 HD12 LEU 17 -14.299 -1.439 -4.065 147 3HD1 LEU 17 HD13 LEU 17 -15.511 -0.176 -3.950 148 1HD2 LEU 17 HD21 LEU 17 -16.469 -0.595 -5.982 149 2HD2 LEU 17 HD22 LEU 17 -15.393 -1.839 -6.598 150 3HD2 LEU 17 HD23 LEU 17 -15.627 -0.353 -7.500 151 H LYS 18 HN LYS 18 -13.555 3.453 -4.355 152 HA LYS 18 HA LYS 18 -13.173 2.564 -1.838 153 1HB LYS 18 HB1 LYS 18 -13.043 5.138 -1.178 154 2HB LYS 18 HB2 LYS 18 -13.376 5.406 -2.883 155 1HG LYS 18 HG1 LYS 18 -11.403 4.166 -3.536 156 2HG LYS 18 HG2 LYS 18 -11.126 3.635 -1.882 157 1HD LYS 18 HD1 LYS 18 -11.352 6.542 -2.060 158 2HD LYS 18 HD2 LYS 18 -10.053 5.927 -3.073 159 1HE LYS 18 HE1 LYS 18 -9.173 4.640 -1.123 160 2HE LYS 18 HE2 LYS 18 -10.440 5.337 -0.119 161 1HZ LYS 18 HZ1 LYS 18 -9.493 7.559 -0.960 162 2HZ LYS 18 HZ2 LYS 18 -8.111 6.650 -1.341 163 3HZ LYS 18 HZ3 LYS 18 -8.666 6.719 0.262 164 H LYS 19 HN LYS 19 -15.758 4.899 -2.613 165 HA LYS 19 HA LYS 19 -16.856 4.818 0.023 166 1HB LYS 19 HB1 LYS 19 -18.985 5.537 -1.562 167 2HB LYS 19 HB2 LYS 19 -17.646 5.882 -2.652 168 1HG LYS 19 HG1 LYS 19 -16.570 7.253 -0.884 169 2HG LYS 19 HG2 LYS 19 -17.922 6.917 0.192 170 1HD LYS 19 HD1 LYS 19 -19.206 7.811 -2.079 171 2HD LYS 19 HD2 LYS 19 -17.750 8.800 -2.068 172 1HE LYS 19 HE1 LYS 19 -18.252 9.248 0.409 173 2HE LYS 19 HE2 LYS 19 -19.834 8.538 0.115 174 1HZ LYS 19 HZ1 LYS 19 -18.681 10.901 -1.256 175 2HZ LYS 19 HZ2 LYS 19 -19.948 10.903 -0.123 176 3HZ LYS 19 HZ3 LYS 19 -20.171 10.187 -1.647 177 H HIS 20 HN HIS 20 -17.518 3.020 -2.937 178 HA HIS 20 HA HIS 20 -19.878 1.707 -2.029 179 1HB HIS 20 HB1 HIS 20 -17.716 0.705 -3.936 180 2HB HIS 20 HB2 HIS 20 -19.141 1.625 -4.413 181 HD1 HIS 20 HD1 HIS 20 -21.081 0.135 -4.922 182 HD2 HIS 20 HD2 HIS 20 -18.346 -1.825 -2.636 183 HE1 HIS 20 HE1 HIS 20 -21.943 -2.144 -4.682 184 H ILE 21 HN ILE 21 -16.487 0.571 -2.024 185 HA ILE 21 HA ILE 21 -17.017 -1.870 -0.717 186 HB ILE 21 HB ILE 21 -14.739 -0.749 -1.683 187 1HG1 ILE 21 HG11 ILE 21 -14.924 -2.809 0.549 188 2HG1 ILE 21 HG12 ILE 21 -13.471 -2.519 -0.398 189 1HG2 ILE 21 HG21 ILE 21 -14.751 0.814 0.410 190 2HG2 ILE 21 HG22 ILE 21 -13.250 -0.014 0.067 191 3HG2 ILE 21 HG23 ILE 21 -14.311 -0.606 1.339 192 1HD1 ILE 21 HD1 ILE 21 -14.270 -3.961 -1.946 193 2HD1 ILE 21 HD2 ILE 21 -15.564 -2.819 -2.286 194 3HD1 ILE 21 HD3 ILE 21 -15.805 -4.090 -1.094 195 NH1 ARG 22 NH1 ARG 22 -13.051 3.410 4.806 196 NH2 ARG 22 NH2 ARG 22 -11.682 3.636 2.989 197 H ARG 22 HN ARG 22 -16.811 1.386 0.539 198 HA ARG 22 HA ARG 22 -16.701 0.536 3.331 199 1HB ARG 22 HB1 ARG 22 -17.519 3.035 3.614 200 2HB ARG 22 HB2 ARG 22 -17.242 3.153 1.882 201 1HG ARG 22 HG1 ARG 22 -14.911 2.468 2.166 202 2HG ARG 22 HG2 ARG 22 -15.167 2.217 3.888 203 1HD ARG 22 HD1 ARG 22 -15.371 4.520 4.324 204 2HD ARG 22 HD2 ARG 22 -15.787 4.896 2.653 205 HE ARG 22 HE ARG 22 -13.485 5.243 2.345 206 1HH1 ARG 22 HH11 ARG 22 -13.929 3.601 5.246 207 2HH1 ARG 22 HH12 ARG 22 -12.355 2.878 5.288 208 1HH2 ARG 22 HH21 ARG 22 -11.536 3.995 2.067 209 2HH2 ARG 22 HH22 ARG 22 -10.964 3.107 3.441 210 H THR 23 HN THR 23 -19.200 0.870 0.975 211 HA THR 23 HA THR 23 -21.325 1.286 2.896 212 HB THR 23 HB THR 23 -21.624 -0.031 0.128 213 HG1 THR 23 HG1 THR 23 -20.441 1.764 -0.221 214 1HG2 THR 23 HG21 THR 23 -23.858 0.236 0.913 215 2HG2 THR 23 HG22 THR 23 -23.590 1.884 0.367 216 3HG2 THR 23 HG23 THR 23 -23.414 1.484 2.068 217 H HIS 24 HN HIS 24 -19.284 -1.203 2.705 218 HA HIS 24 HA HIS 24 -21.375 -3.282 3.252 219 1HB HIS 24 HB1 HIS 24 -19.218 -4.796 3.148 220 2HB HIS 24 HB2 HIS 24 -18.449 -3.387 2.424 221 HD1 HIS 24 HD1 HIS 24 -21.600 -5.351 1.782 222 HD2 HIS 24 HD2 HIS 24 -18.739 -3.310 -0.284 223 HE1 HIS 24 HE1 HIS 24 -22.161 -5.650 -0.605 224 H THR 25 HN THR 25 -19.755 -1.068 4.933 225 HA THR 25 HA THR 25 -18.885 -2.847 7.136 226 HB THR 25 HB THR 25 -18.337 -0.392 8.105 227 HG1 THR 25 HG1 THR 25 -19.523 -0.028 5.752 228 1HG2 THR 25 HG21 THR 25 -16.918 -1.188 5.520 229 2HG2 THR 25 HG22 THR 25 -16.659 -2.105 7.001 230 3HG2 THR 25 HG23 THR 25 -16.208 -0.405 6.929 231 H ASP 26 HN ASP 26 -20.190 0.310 7.733 232 HA ASP 26 HA ASP 26 -22.774 -0.707 8.635 233 1HB ASP 26 HB1 ASP 26 -22.246 0.289 11.018 234 2HB ASP 26 HB2 ASP 26 -20.558 0.096 10.551 235 H VAL 27 HN VAL 27 -21.495 1.321 6.926 236 HA VAL 27 HA VAL 27 -22.504 3.826 8.140 237 HB VAL 27 HB VAL 27 -20.287 3.919 7.113 238 1HG1 VAL 27 HG11 VAL 27 -21.667 2.699 4.717 239 2HG1 VAL 27 HG12 VAL 27 -20.385 1.986 5.687 240 3HG1 VAL 27 HG13 VAL 27 -20.043 3.373 4.659 241 1HG2 VAL 27 HG21 VAL 27 -20.652 5.913 6.078 242 2HG2 VAL 27 HG22 VAL 27 -22.358 5.617 6.398 243 3HG2 VAL 27 HG23 VAL 27 -21.664 5.175 4.841 244 NH1 ARG 28 NH1 ARG 28 -25.161 -3.283 3.859 245 NH2 ARG 28 NH2 ARG 28 -25.741 -2.924 6.040 246 H ARG 28 HN ARG 28 -24.509 2.139 7.651 247 HA ARG 28 HA ARG 28 -25.899 3.346 5.312 248 1HB ARG 28 HB1 ARG 28 -27.045 1.005 5.205 249 2HB ARG 28 HB2 ARG 28 -25.712 0.465 6.221 250 1HG ARG 28 HG1 ARG 28 -24.226 1.678 4.407 251 2HG ARG 28 HG2 ARG 28 -25.638 1.460 3.387 252 1HD ARG 28 HD1 ARG 28 -23.814 -0.599 4.555 253 2HD ARG 28 HD2 ARG 28 -24.599 -0.562 2.978 254 HE ARG 28 HE ARG 28 -26.711 -0.880 4.684 255 1HH1 ARG 28 HH11 ARG 28 -25.043 -2.922 2.934 256 2HH1 ARG 28 HH12 ARG 28 -24.968 -4.246 4.048 257 1HH2 ARG 28 HH21 ARG 28 -26.058 -2.294 6.749 258 2HH2 ARG 28 HH22 ARG 28 -25.558 -3.881 6.267 259 HA PRO 29 HA PRO 29 -28.256 4.024 9.268 260 1HB PRO 29 HB1 PRO 29 -28.482 6.303 9.322 261 2HB PRO 29 HB2 PRO 29 -29.495 6.286 7.878 262 1HG PRO 29 HG1 PRO 29 -26.647 6.957 8.104 263 2HG PRO 29 HG2 PRO 29 -27.719 7.173 6.719 264 1HD PRO 29 HD1 PRO 29 -26.897 5.308 5.710 265 2HD PRO 29 HD2 PRO 29 -25.663 5.218 6.981 266 OH TYR 30 OH TYR 30 -31.500 8.905 3.812 267 H TYR 30 HN TYR 30 -29.291 3.651 5.957 268 HA TYR 30 HA TYR 30 -32.123 3.439 6.756 269 1HB TYR 30 HB1 TYR 30 -32.475 2.876 4.334 270 2HB TYR 30 HB2 TYR 30 -30.740 2.821 4.096 271 HD1 TYR 30 HD1 TYR 30 -33.422 5.105 5.345 272 HD2 TYR 30 HD2 TYR 30 -29.614 4.806 3.469 273 HE1 TYR 30 HE1 TYR 30 -33.413 7.527 4.968 274 HE2 TYR 30 HE2 TYR 30 -29.603 7.230 3.111 275 HH TYR 30 HH TYR 30 -31.335 9.331 4.657 276 H HIS 31 HN HIS 31 -31.849 1.714 8.307 277 HA HIS 31 HA HIS 31 -31.104 -0.937 7.208 278 1HB HIS 31 HB1 HIS 31 -31.134 -1.681 9.527 279 2HB HIS 31 HB2 HIS 31 -32.049 -0.264 10.030 280 HD1 HIS 31 HD1 HIS 31 -28.655 -1.249 9.092 281 HD2 HIS 31 HD2 HIS 31 -30.560 2.094 10.375 282 HE1 HIS 31 HE1 HIS 31 -26.877 0.295 9.680 283 H CYS 32 HN CYS 32 -32.518 -2.656 6.980 284 HA CYS 32 HA CYS 32 -35.282 -2.014 6.545 285 1HB CYS 32 HB1 CYS 32 -33.718 -4.610 6.787 286 2HB CYS 32 HB2 CYS 32 -34.394 -3.896 5.345 287 H THR 33 HN THR 33 -37.036 -2.214 7.859 288 HA THR 33 HA THR 33 -36.639 -2.246 10.697 289 HB THR 33 HB THR 33 -39.304 -2.869 9.317 290 HG1 THR 33 HG1 THR 33 -37.957 -1.142 8.357 291 1HG2 THR 33 HG21 THR 33 -38.794 -2.485 11.968 292 2HG2 THR 33 HG22 THR 33 -40.230 -1.790 11.223 293 3HG2 THR 33 HG23 THR 33 -38.798 -0.796 11.468 294 OH TYR 34 OH TYR 34 -42.928 -4.631 8.350 295 H TYR 34 HN TYR 34 -36.606 -4.778 8.533 296 HA TYR 34 HA TYR 34 -37.379 -6.732 10.666 297 1HB TYR 34 HB1 TYR 34 -38.023 -8.277 8.864 298 2HB TYR 34 HB2 TYR 34 -37.397 -7.178 7.642 299 HD1 TYR 34 HD2 TYR 34 -38.474 -4.794 7.572 300 HD2 TYR 34 HD1 TYR 34 -40.284 -8.116 9.515 301 HE1 TYR 34 HE2 TYR 34 -40.651 -3.678 7.451 302 HE2 TYR 34 HE1 TYR 34 -42.463 -6.996 9.394 303 HH TYR 34 HH TYR 34 -43.160 -4.530 7.423 304 H CYS 35 HN CYS 35 -35.591 -7.015 7.613 305 HA CYS 35 HA CYS 35 -33.738 -8.928 8.607 306 1HB CYS 35 HB1 CYS 35 -32.428 -8.428 6.623 307 2HB CYS 35 HB2 CYS 35 -33.154 -6.857 6.469 308 H ASN 36 HN ASN 36 -31.265 -8.158 8.054 309 HA ASN 36 HA ASN 36 -30.695 -6.028 10.076 310 1HB ASN 36 HB1 ASN 36 -28.962 -8.424 9.278 311 2HB ASN 36 HB2 ASN 36 -30.004 -8.402 10.699 312 1HD2 ASN 36 HD21 ASN 36 -27.428 -8.773 11.358 313 2HD2 ASN 36 HD22 ASN 36 -26.696 -7.354 11.932 314 H PHE 37 HN PHE 37 -30.789 -6.613 6.893 315 HA PHE 37 HA PHE 37 -28.193 -5.510 6.119 316 1HB PHE 37 HB1 PHE 37 -30.573 -5.614 4.259 317 2HB PHE 37 HB2 PHE 37 -29.875 -7.140 4.805 318 HD1 PHE 37 HD2 PHE 37 -27.331 -7.460 4.496 319 HD2 PHE 37 HD1 PHE 37 -29.524 -4.375 2.546 320 HE1 PHE 37 HE2 PHE 37 -25.518 -7.203 2.858 321 HE2 PHE 37 HE1 PHE 37 -27.709 -4.123 0.908 322 HZ PHE 37 HZ PHE 37 -25.707 -5.536 1.065 323 H SER 38 HN SER 38 -28.024 -3.540 4.852 324 HA SER 38 HA SER 38 -30.227 -1.622 5.185 325 1HB SER 38 HB1 SER 38 -27.441 -1.057 6.316 326 2HB SER 38 HB2 SER 38 -28.837 -1.498 7.311 327 HG SER 38 HG1 SER 38 -29.482 0.482 7.110 328 H PHE 39 HN PHE 39 -29.573 0.539 4.255 329 HA PHE 39 HA PHE 39 -27.644 0.194 2.012 330 1HB PHE 39 HB1 PHE 39 -29.298 0.977 0.451 331 2HB PHE 39 HB2 PHE 39 -30.347 1.553 1.745 332 HD1 PHE 39 HD2 PHE 39 -31.391 -0.151 3.302 333 HD2 PHE 39 HD1 PHE 39 -29.450 -1.303 -0.300 334 HE1 PHE 39 HE2 PHE 39 -32.489 -2.339 3.419 335 HE2 PHE 39 HE1 PHE 39 -30.541 -3.502 -0.177 336 HZ PHE 39 HZ PHE 39 -32.058 -4.023 1.690 337 H LYS 40 HN LYS 40 -26.829 2.176 1.174 338 HA LYS 40 HA LYS 40 -26.561 4.207 3.253 339 1HB LYS 40 HB1 LYS 40 -25.517 4.154 0.379 340 2HB LYS 40 HB2 LYS 40 -24.667 3.456 1.739 341 1HG LYS 40 HG1 LYS 40 -25.474 6.372 1.770 342 2HG LYS 40 HG2 LYS 40 -24.000 5.861 0.975 343 1HD LYS 40 HD1 LYS 40 -23.310 4.735 3.124 344 2HD LYS 40 HD2 LYS 40 -24.720 5.454 3.894 345 1HE LYS 40 HE1 LYS 40 -22.181 6.714 3.078 346 2HE LYS 40 HE2 LYS 40 -23.318 7.194 4.332 347 1HZ LYS 40 HZ1 LYS 40 -23.492 7.733 1.427 348 2HZ LYS 40 HZ2 LYS 40 -23.366 8.858 2.693 349 3HZ LYS 40 HZ3 LYS 40 -24.797 7.968 2.488 350 H THR 41 HN THR 41 -28.486 3.694 0.463 351 HA THR 41 HA THR 41 -29.434 6.532 0.594 352 HB THR 41 HB THR 41 -29.881 6.399 -1.775 353 HG1 THR 41 HG1 THR 41 -29.383 3.678 -1.904 354 1HG2 THR 41 HG21 THR 41 -27.645 4.322 -1.515 355 2HG2 THR 41 HG22 THR 41 -27.330 6.014 -1.146 356 3HG2 THR 41 HG23 THR 41 -27.824 5.545 -2.768 357 H LYS 42 HN LYS 42 -31.666 6.912 0.285 358 HA LYS 42 HA LYS 42 -33.312 4.967 1.657 359 1HB LYS 42 HB1 LYS 42 -34.152 7.554 0.269 360 2HB LYS 42 HB2 LYS 42 -33.516 7.499 1.910 361 1HG LYS 42 HG1 LYS 42 -35.359 5.938 2.540 362 2HG LYS 42 HG2 LYS 42 -36.015 6.088 0.915 363 1HD LYS 42 HD1 LYS 42 -35.526 8.724 1.956 364 2HD LYS 42 HD2 LYS 42 -36.461 7.816 3.139 365 1HE LYS 42 HE1 LYS 42 -37.150 8.160 0.198 366 2HE LYS 42 HE2 LYS 42 -37.976 8.923 1.551 367 1HZ LYS 42 HZ1 LYS 42 -38.884 6.931 2.236 368 2HZ LYS 42 HZ2 LYS 42 -37.747 5.990 1.398 369 3HZ LYS 42 HZ3 LYS 42 -38.964 6.808 0.543 370 H GLY 43 HN GLY 43 -32.569 5.733 -1.594 371 1HA GLY 43 HA1 GLY 43 -33.392 4.874 -3.620 372 2HA GLY 43 HA2 GLY 43 -34.990 4.922 -2.881 373 H ASN 44 HN ASN 44 -31.992 3.053 -2.434 374 HA ASN 44 HA ASN 44 -32.913 0.585 -3.319 375 1HB ASN 44 HB1 ASN 44 -31.262 -0.311 -1.473 376 2HB ASN 44 HB2 ASN 44 -30.954 1.390 -1.146 377 1HD2 ASN 44 HD21 ASN 44 -28.735 0.237 -2.023 378 2HD2 ASN 44 HD22 ASN 44 -28.446 0.507 -3.674 379 H LEU 45 HN LEU 45 -33.352 2.066 -0.143 380 HA LEU 45 HA LEU 45 -34.449 -0.119 1.242 381 1HB LEU 45 HB1 LEU 45 -35.578 2.699 1.432 382 2HB LEU 45 HB2 LEU 45 -33.942 2.374 1.969 383 HG LEU 45 HG LEU 45 -35.660 2.275 3.818 384 1HD1 LEU 45 HD11 LEU 45 -36.602 -0.308 2.545 385 2HD1 LEU 45 HD12 LEU 45 -37.440 1.222 2.316 386 3HD1 LEU 45 HD13 LEU 45 -37.286 0.533 3.926 387 1HD2 LEU 45 HD21 LEU 45 -34.542 -0.504 3.514 388 2HD2 LEU 45 HD22 LEU 45 -34.592 0.529 4.932 389 3HD2 LEU 45 HD23 LEU 45 -33.445 0.858 3.647 390 H THR 46 HN THR 46 -36.250 2.425 -0.485 391 HA THR 46 HA THR 46 -38.805 1.309 -0.313 392 HB THR 46 HB THR 46 -37.623 2.695 -2.796 393 HG1 THR 46 HG1 THR 46 -37.635 3.456 -0.328 394 1HG2 THR 46 HG21 THR 46 -40.416 2.519 -1.526 395 2HG2 THR 46 HG22 THR 46 -39.976 1.974 -3.142 396 3HG2 THR 46 HG23 THR 46 -40.002 3.696 -2.769 397 H LYS 47 HN LYS 47 -36.137 0.422 -2.396 398 HA LYS 47 HA LYS 47 -37.725 -1.308 -4.103 399 1HB LYS 47 HB1 LYS 47 -35.055 -2.225 -4.153 400 2HB LYS 47 HB2 LYS 47 -34.918 -0.507 -3.803 401 1HG LYS 47 HG1 LYS 47 -36.540 -0.106 -5.733 402 2HG LYS 47 HG2 LYS 47 -36.322 -1.801 -6.154 403 1HD LYS 47 HD1 LYS 47 -33.865 -1.423 -6.309 404 2HD LYS 47 HD2 LYS 47 -34.124 0.282 -5.959 405 1HE LYS 47 HE1 LYS 47 -35.882 -0.017 -7.990 406 2HE LYS 47 HE2 LYS 47 -34.715 -1.254 -8.441 407 1HZ LYS 47 HZ1 LYS 47 -34.516 1.454 -8.874 408 2HZ LYS 47 HZ2 LYS 47 -33.307 0.287 -9.116 409 3HZ LYS 47 HZ3 LYS 47 -33.396 1.121 -7.641 410 H HIS 48 HN HIS 48 -35.480 -1.954 -1.392 411 HA HIS 48 HA HIS 48 -35.859 -4.786 -1.419 412 1HB HIS 48 HB1 HIS 48 -35.120 -2.857 0.838 413 2HB HIS 48 HB2 HIS 48 -34.020 -3.845 -0.118 414 HD1 HIS 48 HD1 HIS 48 -34.777 -6.527 0.155 415 HD2 HIS 48 HD2 HIS 48 -35.704 -4.037 3.263 416 HE1 HIS 48 HE1 HIS 48 -35.159 -7.997 2.072 417 H MET 49 HN MET 49 -37.955 -2.276 -0.513 418 HA MET 49 HA MET 49 -39.529 -4.023 1.288 419 1HB MET 49 HB1 MET 49 -41.023 -1.854 1.274 420 2HB MET 49 HB2 MET 49 -39.657 -1.101 0.459 421 1HG MET 49 HG1 MET 49 -39.005 -0.680 2.598 422 2HG MET 49 HG2 MET 49 -38.312 -2.272 2.433 423 1HE MET 49 HE1 MET 49 -39.309 -4.009 5.381 424 2HE MET 49 HE2 MET 49 -37.995 -3.036 4.722 425 3HE MET 49 HE3 MET 49 -38.793 -4.240 3.710 426 H LYS 50 HN LYS 50 -39.795 -2.410 -1.847 427 HA LYS 50 HA LYS 50 -42.457 -2.948 -2.485 428 1HB LYS 50 HB1 LYS 50 -40.083 -3.320 -4.375 429 2HB LYS 50 HB2 LYS 50 -40.739 -1.748 -3.936 430 1HG LYS 50 HG1 LYS 50 -42.972 -2.492 -4.801 431 2HG LYS 50 HG2 LYS 50 -42.226 -3.993 -5.339 432 1HD LYS 50 HD1 LYS 50 -40.733 -2.777 -6.831 433 2HD LYS 50 HD2 LYS 50 -41.302 -1.233 -6.205 434 1HE LYS 50 HE1 LYS 50 -43.634 -1.909 -6.975 435 2HE LYS 50 HE2 LYS 50 -42.883 -3.267 -7.805 436 1HZ LYS 50 HZ1 LYS 50 -41.665 -1.820 -9.180 437 2HZ LYS 50 HZ2 LYS 50 -42.059 -0.459 -8.245 438 3HZ LYS 50 HZ3 LYS 50 -43.257 -1.228 -9.172 439 H SER 51 HN SER 51 -39.680 -5.134 -2.765 440 HA SER 51 HA SER 51 -40.928 -7.301 -4.036 441 1HB SER 51 HB1 SER 51 -38.969 -7.527 -1.688 442 2HB SER 51 HB2 SER 51 -38.469 -7.152 -3.348 443 HG SER 51 HG1 SER 51 -38.442 -9.365 -3.152 444 H LYS 52 HN LYS 52 -41.890 -9.226 -3.219 445 HA LYS 52 HA LYS 52 -43.884 -8.729 -1.198 446 1HB LYS 52 HB1 LYS 52 -44.352 -11.206 -1.503 447 2HB LYS 52 HB2 LYS 52 -42.918 -11.314 -2.516 448 1HG LYS 52 HG1 LYS 52 -43.854 -9.876 -4.176 449 2HG LYS 52 HG2 LYS 52 -45.134 -9.338 -3.095 450 1HD LYS 52 HD1 LYS 52 -45.981 -10.992 -4.739 451 2HD LYS 52 HD2 LYS 52 -46.106 -11.605 -3.094 452 1HE LYS 52 HE1 LYS 52 -43.603 -12.170 -4.650 453 2HE LYS 52 HE2 LYS 52 -45.049 -13.104 -5.015 454 1HZ LYS 52 HZ1 LYS 52 -45.179 -13.835 -2.774 455 2HZ LYS 52 HZ2 LYS 52 -43.929 -12.794 -2.289 456 3HZ LYS 52 HZ3 LYS 52 -43.592 -14.108 -3.310 457 H ALA 53 HN ALA 53 -40.745 -8.994 -0.700 458 HA ALA 53 HA ALA 53 -40.165 -11.022 1.091 459 1HB ALA 53 HB1 ALA 53 -38.711 -9.283 2.273 460 2HB ALA 53 HB2 ALA 53 -39.477 -8.049 1.278 461 3HB ALA 53 HB3 ALA 53 -38.503 -9.308 0.524 462 H HIS 54 HN HIS 54 -40.501 -8.016 2.784 463 HA HIS 54 HA HIS 54 -42.878 -8.980 4.242 464 1HB HIS 54 HB1 HIS 54 -41.333 -9.964 5.698 465 2HB HIS 54 HB2 HIS 54 -41.397 -8.350 6.398 466 HD1 HIS 54 HD1 HIS 54 -39.112 -10.618 4.758 467 HD2 HIS 54 HD2 HIS 54 -39.163 -6.614 5.588 468 HE1 HIS 54 HE1 HIS 54 -36.793 -9.867 4.510 469 H SER 55 HN SER 55 -43.862 -7.121 3.370 470 HA SER 55 HA SER 55 -43.396 -4.727 5.008 471 1HB SER 55 HB1 SER 55 -41.867 -4.182 3.198 472 2HB SER 55 HB2 SER 55 -43.363 -3.329 2.769 473 HG SER 55 HG1 SER 55 -42.343 -5.768 1.795 474 H LYS 56 HN LYS 56 -45.137 -6.183 2.303 475 HA LYS 56 HA LYS 56 -47.550 -4.593 3.069 476 1HB LYS 56 HB1 LYS 56 -48.384 -5.264 0.797 477 2HB LYS 56 HB2 LYS 56 -46.908 -6.187 0.538 478 1HG LYS 56 HG1 LYS 56 -45.652 -3.986 1.028 479 2HG LYS 56 HG2 LYS 56 -47.210 -3.191 0.824 480 1HD LYS 56 HD1 LYS 56 -47.425 -4.173 -1.433 481 2HD LYS 56 HD2 LYS 56 -45.879 -4.990 -1.230 482 1HE LYS 56 HE1 LYS 56 -44.790 -2.760 -0.905 483 2HE LYS 56 HE2 LYS 56 -46.337 -1.988 -1.233 484 1HZ LYS 56 HZ1 LYS 56 -46.316 -3.231 -3.395 485 2HZ LYS 56 HZ2 LYS 56 -44.695 -3.620 -3.073 486 3HZ LYS 56 HZ3 LYS 56 -45.160 -1.995 -3.243 487 H LYS 57 HN LYS 57 -46.673 -6.903 4.572 488 HA LYS 57 HA LYS 57 -49.171 -8.291 4.713 489 1HB LYS 57 HB1 LYS 57 -46.915 -10.141 3.931 490 2HB LYS 57 HB2 LYS 57 -47.765 -9.279 2.654 491 1HG LYS 57 HG1 LYS 57 -48.829 -11.462 3.052 492 2HG LYS 57 HG2 LYS 57 -49.924 -10.164 3.511 493 1HD LYS 57 HD1 LYS 57 -49.577 -10.520 5.817 494 2HD LYS 57 HD2 LYS 57 -48.066 -11.383 5.551 495 1HE LYS 57 HE1 LYS 57 -49.283 -13.268 4.557 496 2HE LYS 57 HE2 LYS 57 -50.803 -12.397 4.712 497 1HZ LYS 57 HZ1 LYS 57 -49.651 -12.376 7.218 498 2HZ LYS 57 HZ2 LYS 57 -49.440 -13.956 6.634 499 3HZ LYS 57 LYS 57 -50.996 -13.280 6.710 Start of MODEL 3 Raw file had 499 H/Q atoms Start of MODEL 3 1 1H LYS 1 HT1 LYS 1 -9.616 -4.256 -12.086 2 2H LYS 1 HT2 LYS 1 -9.773 -2.641 -12.586 3 3H LYS 1 HT3 LYS 1 -10.969 -3.347 -11.609 4 HA LYS 1 HA LYS 1 -8.771 -3.732 -10.119 5 1HB LYS 1 HB1 LYS 1 -7.593 -1.544 -10.102 6 2HB LYS 1 HB2 LYS 1 -8.621 -0.957 -11.403 7 1HG LYS 1 HG1 LYS 1 -7.700 -2.531 -12.963 8 2HG LYS 1 HG2 LYS 1 -6.899 -3.433 -11.681 9 1HD LYS 1 HD1 LYS 1 -6.187 -0.567 -11.778 10 2HD LYS 1 HD2 LYS 1 -5.685 -1.487 -13.193 11 1HE LYS 1 HE1 LYS 1 -4.404 -3.009 -11.883 12 2HE LYS 1 HE2 LYS 1 -5.176 -2.497 -10.388 13 1HZ LYS 1 HZ1 LYS 1 -4.102 -0.362 -10.577 14 2HZ LYS 1 HZ2 LYS 1 -3.398 -0.807 -12.058 15 3HZ LYS 1 HZ3 LYS 1 -2.940 -1.599 -10.628 16 OH TYR 2 OH TYR 2 -7.767 2.537 -8.752 17 H TYR 2 HN TYR 2 -11.746 -2.860 -10.669 18 HA TYR 2 HA TYR 2 -12.104 -1.817 -7.946 19 1HB TYR 2 HB1 TYR 2 -13.423 0.161 -8.751 20 2HB TYR 2 HB2 TYR 2 -12.983 -0.237 -10.411 21 HD1 TYR 2 HD2 TYR 2 -11.556 0.692 -7.099 22 HD2 TYR 2 HD1 TYR 2 -10.863 0.416 -11.286 23 HE1 TYR 2 HE2 TYR 2 -9.445 1.909 -6.829 24 HE2 TYR 2 HE1 TYR 2 -8.750 1.631 -11.016 25 HH TYR 2 HH TYR 2 -7.971 3.417 -8.431 26 H ILE 3 HN ILE 3 -12.865 -4.232 -9.006 27 HA ILE 3 HA ILE 3 -15.803 -3.953 -9.451 28 HB ILE 3 HB ILE 3 -13.868 -6.276 -9.933 29 1HG1 ILE 3 HG11 ILE 3 -15.440 -4.452 -11.800 30 2HG1 ILE 3 HG12 ILE 3 -14.606 -5.905 -12.330 31 1HG2 ILE 3 HG21 ILE 3 -16.902 -6.014 -10.192 32 2HG2 ILE 3 HG22 ILE 3 -16.003 -7.237 -9.299 33 3HG2 ILE 3 HG23 ILE 3 -16.003 -7.256 -11.058 34 1HD1 ILE 3 HD1 ILE 3 -13.484 -3.274 -11.527 35 2HD1 ILE 3 HD2 ILE 3 -12.875 -4.444 -12.687 36 3HD1 ILE 3 HD3 ILE 3 -12.586 -4.679 -10.970 37 H CYS 4 HN CYS 4 -16.830 -3.993 -7.493 38 HA CYS 4 HA CYS 4 -15.810 -5.123 -5.136 39 1HB CYS 4 HB1 CYS 4 -18.671 -4.801 -6.071 40 2HB CYS 4 HB2 CYS 4 -17.787 -3.739 -5.012 41 H GLU 5 HN GLU 5 -15.185 -7.103 -4.789 42 HA GLU 5 HA GLU 5 -15.798 -9.341 -6.383 43 1HB GLU 5 HB1 GLU 5 -14.998 -10.629 -4.263 44 2HB GLU 5 HB2 GLU 5 -14.797 -9.042 -3.528 45 1HG GLU 5 HG1 GLU 5 -13.276 -8.371 -5.350 46 2HG GLU 5 HG2 GLU 5 -13.503 -9.936 -6.129 47 H GLU 6 HN GLU 6 -17.649 -7.878 -3.866 48 HA GLU 6 HA GLU 6 -19.223 -10.291 -3.401 49 1HB GLU 6 HB1 GLU 6 -19.964 -7.508 -2.461 50 2HB GLU 6 HB2 GLU 6 -18.647 -8.381 -1.690 51 1HG GLU 6 HG1 GLU 6 -20.193 -10.286 -1.255 52 2HG GLU 6 HG2 GLU 6 -21.509 -9.361 -1.972 53 H CYS 7 HN CYS 7 -20.211 -6.980 -4.270 54 HA CYS 7 HA CYS 7 -22.616 -8.015 -5.558 55 1HB CYS 7 HB1 CYS 7 -23.190 -5.732 -5.911 56 2HB CYS 7 HB2 CYS 7 -21.530 -5.218 -5.893 57 H GLY 8 HN GLY 8 -19.736 -6.254 -6.667 58 1HA GLY 8 HA1 GLY 8 -20.179 -7.427 -9.385 59 2HA GLY 8 HA2 GLY 8 -18.593 -7.045 -8.725 60 H ILE 9 HN ILE 9 -20.166 -4.561 -7.583 61 HA ILE 9 HA ILE 9 -20.979 -2.915 -9.690 62 HB ILE 9 HB ILE 9 -20.998 -2.456 -7.134 63 1HG1 ILE 9 HG11 ILE 9 -20.442 -0.496 -9.323 64 2HG1 ILE 9 HG12 ILE 9 -20.435 0.100 -7.667 65 1HG2 ILE 9 HG21 ILE 9 -18.386 -2.750 -7.101 66 2HG2 ILE 9 HG22 ILE 9 -19.054 -1.424 -6.174 67 3HG2 ILE 9 HG23 ILE 9 -18.329 -1.115 -7.741 68 1HD1 ILE 9 HD1 ILE 9 -22.685 -1.649 -8.662 69 2HD1 ILE 9 HD2 ILE 9 -22.702 0.088 -8.952 70 3HD1 ILE 9 HD3 ILE 9 -22.685 -0.529 -7.303 71 NH1 ARG 10 NH2 ARG 10 -16.625 -2.977 -17.558 72 NH2 ARG 10 NH1 ARG 10 -14.817 -1.589 -17.412 73 H ARG 10 HN ARG 10 -19.967 -2.027 -11.369 74 HA ARG 10 HA ARG 10 -17.000 -2.222 -11.467 75 1HB ARG 10 HB1 ARG 10 -18.995 -1.561 -13.684 76 2HB ARG 10 HB2 ARG 10 -18.435 -3.190 -13.322 77 1HG ARG 10 HG1 ARG 10 -16.129 -1.512 -13.519 78 2HG ARG 10 HG2 ARG 10 -17.144 -1.183 -14.919 79 1HD ARG 10 HD1 ARG 10 -17.300 -3.659 -15.323 80 2HD ARG 10 HD2 ARG 10 -16.154 -3.906 -14.005 81 HE ARG 10 HE ARG 10 -14.424 -3.117 -15.424 82 1HH1 ARG 10 HH21 ARG 10 -17.204 -3.676 -17.138 83 2HH1 ARG 10 HH22 ARG 10 -16.833 -2.642 -18.476 84 1HH2 ARG 10 HH11 ARG 10 -14.039 -1.249 -16.883 85 2HH2 ARG 10 HH12 ARG 10 -14.993 -1.232 -18.329 86 H ABA 11 HN ABU 11 -16.140 -0.437 -10.541 87 HA ABA 11 HA ABU 11 -16.994 2.205 -11.682 88 1HB ABA 11 HB1 ABU 11 -16.614 3.215 -9.496 89 2HB ABA 11 HB2 ABU 11 -15.962 1.725 -8.858 90 1HG ABA 11 HG1 ABU 11 -18.214 0.648 -9.271 91 2HG ABA 11 HG2 ABU 11 -18.830 2.240 -9.697 92 3HG ABA 11 HG3 ABU 11 -18.247 1.929 -8.066 93 H LYS 12 HN LYS 12 -15.347 2.290 -13.157 94 HA LYS 12 HA LYS 12 -12.675 1.577 -12.850 95 1HB LYS 12 HB1 LYS 12 -12.233 3.316 -14.616 96 2HB LYS 12 HB2 LYS 12 -13.851 3.958 -14.353 97 1HG LYS 12 HG1 LYS 12 -14.844 1.813 -15.004 98 2HG LYS 12 HG2 LYS 12 -13.245 1.098 -15.174 99 1HD LYS 12 HD1 LYS 12 -12.714 2.781 -16.939 100 2HD LYS 12 HD2 LYS 12 -14.352 3.410 -16.802 101 1HE LYS 12 HE1 LYS 12 -14.406 1.866 -18.630 102 2HE LYS 12 HE2 LYS 12 -15.161 1.029 -17.280 103 1HZ LYS 12 HZ1 LYS 12 -13.528 -0.323 -18.506 104 2HZ LYS 12 HZ2 LYS 12 -13.153 -0.152 -16.859 105 3HZ LYS 12 HZ3 LYS 12 -12.305 0.750 -18.020 106 H LYS 13 HN LYS 13 -14.305 4.209 -11.309 107 HA LYS 13 HA LYS 13 -11.710 5.495 -10.678 108 1HB LYS 13 HB1 LYS 13 -13.235 7.295 -9.677 109 2HB LYS 13 HB2 LYS 13 -14.597 6.361 -10.288 110 1HG LYS 13 HG1 LYS 13 -14.306 7.600 -12.183 111 2HG LYS 13 HG2 LYS 13 -12.994 6.472 -12.508 112 1HD LYS 13 HD1 LYS 13 -11.499 8.049 -11.140 113 2HD LYS 13 HD2 LYS 13 -12.813 9.216 -11.241 114 1HE LYS 13 HE1 LYS 13 -11.406 7.915 -13.597 115 2HE LYS 13 HE2 LYS 13 -11.203 9.581 -13.070 116 1HZ LYS 13 HZ1 LYS 13 -13.016 10.182 -14.154 117 2HZ LYS 13 HZ2 LYS 13 -13.946 8.948 -13.449 118 3HZ LYS 13 HZ3 LYS 13 -13.051 8.637 -14.859 119 HA PRO 14 HA PRO 14 -11.648 3.689 -6.591 120 1HB PRO 14 HB1 PRO 14 -9.578 4.488 -5.950 121 2HB PRO 14 HB2 PRO 14 -10.383 5.918 -5.302 122 1HG PRO 14 HG1 PRO 14 -8.620 5.857 -7.525 123 2HG PRO 14 HG2 PRO 14 -9.640 7.215 -7.044 124 1HD PRO 14 HD1 PRO 14 -10.828 6.901 -8.978 125 2HD PRO 14 HD2 PRO 14 -9.953 5.392 -9.305 126 H SER 15 HN SER 15 -11.955 7.225 -6.215 127 HA SER 15 HA SER 15 -13.407 7.517 -3.952 128 1HB SER 15 HB1 SER 15 -12.902 9.337 -5.703 129 2HB SER 15 HB2 SER 15 -14.521 9.472 -4.988 130 HG SER 15 HG1 SER 15 -14.684 9.486 -7.244 131 H MET 16 HN MET 16 -14.830 6.444 -7.015 132 HA MET 16 HA MET 16 -17.494 6.210 -5.918 133 1HB MET 16 HB1 MET 16 -17.714 4.650 -8.033 134 2HB MET 16 HB2 MET 16 -16.077 5.184 -8.399 135 1HG MET 16 HG1 MET 16 -17.164 6.865 -9.463 136 2HG MET 16 HG2 MET 16 -17.158 7.565 -7.866 137 1HE MET 16 HE1 MET 16 -18.874 5.566 -10.446 138 2HE MET 16 HE2 MET 16 -19.347 7.198 -10.914 139 3HE MET 16 HE3 MET 16 -20.571 6.042 -10.391 140 H LEU 17 HN LEU 17 -15.004 3.755 -6.736 141 HA LEU 17 HA LEU 17 -16.494 1.582 -5.612 142 1HB LEU 17 HB1 LEU 17 -13.458 1.714 -5.688 143 2HB LEU 17 HB2 LEU 17 -14.366 1.580 -7.176 144 HG LEU 17 HG LEU 17 -13.588 -0.645 -6.278 145 1HD1 LEU 17 HD11 LEU 17 -15.657 -0.285 -4.102 146 2HD1 LEU 17 HD12 LEU 17 -13.951 0.060 -3.849 147 3HD1 LEU 17 HD13 LEU 17 -14.468 -1.565 -4.274 148 1HD2 LEU 17 HD21 LEU 17 -15.520 -1.804 -6.903 149 2HD2 LEU 17 HD22 LEU 17 -15.793 -0.236 -7.639 150 3HD2 LEU 17 HD23 LEU 17 -16.602 -0.651 -6.139 151 H LYS 18 HN LYS 18 -13.635 3.287 -4.386 152 HA LYS 18 HA LYS 18 -13.302 2.305 -1.888 153 1HB LYS 18 HB1 LYS 18 -12.814 4.696 -1.135 154 2HB LYS 18 HB2 LYS 18 -13.480 5.252 -2.666 155 1HG LYS 18 HG1 LYS 18 -11.278 5.074 -3.313 156 2HG LYS 18 HG2 LYS 18 -11.758 3.408 -3.610 157 1HD LYS 18 HD1 LYS 18 -11.003 2.807 -1.313 158 2HD LYS 18 HD2 LYS 18 -10.474 4.467 -1.069 159 1HE LYS 18 HE1 LYS 18 -8.776 4.289 -2.718 160 2HE LYS 18 HE2 LYS 18 -9.489 2.841 -3.417 161 1HZ LYS 18 HZ1 LYS 18 -7.836 3.137 -1.032 162 2HZ LYS 18 HZ2 LYS 18 -7.851 1.904 -2.201 163 3HZ LYS 18 HZ3 LYS 18 -9.048 1.947 -0.997 164 H LYS 19 HN LYS 19 -15.798 4.704 -2.699 165 HA LYS 19 HA LYS 19 -16.921 4.733 -0.073 166 1HB LYS 19 HB1 LYS 19 -18.906 5.772 -1.280 167 2HB LYS 19 HB2 LYS 19 -18.101 5.421 -2.804 168 1HG LYS 19 HG1 LYS 19 -17.247 7.531 -2.509 169 2HG LYS 19 HG2 LYS 19 -16.082 6.680 -1.500 170 1HD LYS 19 HD1 LYS 19 -17.554 7.078 0.475 171 2HD LYS 19 HD2 LYS 19 -18.647 7.998 -0.553 172 1HE LYS 19 HE1 LYS 19 -17.360 9.834 -0.313 173 2HE LYS 19 HE2 LYS 19 -15.975 8.966 -0.967 174 1HZ LYS 19 HZ1 LYS 19 -15.708 9.878 1.330 175 2HZ LYS 19 HZ2 LYS 19 -15.365 8.224 1.161 176 3HZ LYS 19 HZ3 LYS 19 -16.835 8.721 1.854 177 H HIS 20 HN HIS 20 -17.696 2.959 -3.025 178 HA HIS 20 HA HIS 20 -20.053 1.679 -2.100 179 1HB HIS 20 HB1 HIS 20 -17.917 0.705 -4.041 180 2HB HIS 20 HB2 HIS 20 -19.369 1.600 -4.478 181 HD1 HIS 20 HD1 HIS 20 -21.294 0.076 -4.974 182 HD2 HIS 20 HD2 HIS 20 -18.456 -1.869 -2.803 183 HE1 HIS 20 HE1 HIS 20 -22.090 -2.234 -4.781 184 H ILE 21 HN ILE 21 -16.668 0.544 -2.028 185 HA ILE 21 HA ILE 21 -17.233 -1.946 -0.818 186 HB ILE 21 HB ILE 21 -14.942 -0.829 -1.740 187 1HG1 ILE 21 HG11 ILE 21 -15.123 -2.930 0.454 188 2HG1 ILE 21 HG12 ILE 21 -13.691 -2.644 -0.524 189 1HG2 ILE 21 HG21 ILE 21 -14.947 0.677 0.397 190 2HG2 ILE 21 HG22 ILE 21 -13.452 -0.145 0.028 191 3HG2 ILE 21 HG23 ILE 21 -14.514 -0.769 1.283 192 1HD1 ILE 21 HD1 ILE 21 -16.195 -4.038 -1.228 193 2HD1 ILE 21 HD2 ILE 21 -14.591 -4.200 -1.931 194 3HD1 ILE 21 HD3 ILE 21 -15.654 -2.901 -2.455 195 NH1 ARG 22 NH2 ARG 22 -16.957 5.413 5.777 196 NH2 ARG 22 NH1 ARG 22 -14.740 5.845 6.125 197 H ARG 22 HN ARG 22 -16.966 1.258 0.581 198 HA ARG 22 HA ARG 22 -16.874 0.279 3.337 199 1HB ARG 22 HB1 ARG 22 -17.613 2.758 3.762 200 2HB ARG 22 HB2 ARG 22 -17.442 2.971 2.025 201 1HG ARG 22 HG1 ARG 22 -15.105 2.400 2.098 202 2HG ARG 22 HG2 ARG 22 -15.226 1.838 3.761 203 1HD ARG 22 HD1 ARG 22 -16.025 4.665 3.145 204 2HD ARG 22 HD2 ARG 22 -14.310 4.272 3.244 205 HE ARG 22 HE ARG 22 -15.206 3.169 5.550 206 1HH1 ARG 22 HH21 ARG 22 -17.664 4.812 5.404 207 2HH1 ARG 22 HH22 ARG 22 -17.214 6.258 6.245 208 1HH2 ARG 22 HH11 ARG 22 -13.785 5.568 6.012 209 2HH2 ARG 22 HH12 ARG 22 -14.961 6.697 6.599 210 H THR 23 HN THR 23 -19.451 1.013 1.078 211 HA THR 23 HA THR 23 -21.481 1.296 3.079 212 HB THR 23 HB THR 23 -21.967 0.107 0.282 213 HG1 THR 23 HG1 THR 23 -20.461 1.966 0.464 214 1HG2 THR 23 HG21 THR 23 -23.743 2.201 0.685 215 2HG2 THR 23 HG22 THR 23 -23.561 1.656 2.346 216 3HG2 THR 23 HG23 THR 23 -24.144 0.546 1.118 217 H HIS 24 HN HIS 24 -19.570 -1.325 2.477 218 HA HIS 24 HA HIS 24 -21.707 -3.339 2.962 219 1HB HIS 24 HB1 HIS 24 -19.515 -4.855 3.006 220 2HB HIS 24 HB2 HIS 24 -18.750 -3.438 2.298 221 HD1 HIS 24 HD1 HIS 24 -21.706 -5.636 1.536 222 HD2 HIS 24 HD2 HIS 24 -19.046 -3.236 -0.400 223 HE1 HIS 24 HE1 HIS 24 -22.138 -5.968 -0.876 224 H THR 25 HN THR 25 -19.943 -1.270 4.815 225 HA THR 25 HA THR 25 -19.421 -3.192 6.999 226 HB THR 25 HB THR 25 -18.620 -0.912 8.096 227 HG1 THR 25 HG1 THR 25 -18.253 0.191 5.732 228 1HG2 THR 25 HG21 THR 25 -16.646 -0.749 6.404 229 2HG2 THR 25 HG22 THR 25 -17.439 -2.048 5.519 230 3HG2 THR 25 HG23 THR 25 -16.854 -2.327 7.156 231 H ASP 26 HN ASP 26 -20.308 -0.013 7.812 232 HA ASP 26 HA ASP 26 -23.107 -0.593 8.346 233 1HB ASP 26 HB1 ASP 26 -22.681 -0.104 10.893 234 2HB ASP 26 HB2 ASP 26 -21.005 -0.529 10.552 235 H VAL 27 HN VAL 27 -21.382 1.294 7.001 236 HA VAL 27 HA VAL 27 -21.737 3.779 8.554 237 HB VAL 27 HB VAL 27 -19.628 3.465 7.359 238 1HG1 VAL 27 HG11 VAL 27 -20.270 1.859 5.702 239 2HG1 VAL 27 HG12 VAL 27 -19.678 3.269 4.834 240 3HG1 VAL 27 HG13 VAL 27 -21.407 2.978 4.965 241 1HG2 VAL 27 HG21 VAL 27 -20.769 5.354 5.416 242 2HG2 VAL 27 HG22 VAL 27 -19.512 5.611 6.622 243 3HG2 VAL 27 HG23 VAL 27 -21.208 5.713 7.084 244 NH1 ARG 28 NH2 ARG 28 -25.728 -2.234 4.755 245 NH2 ARG 28 NH1 ARG 28 -23.496 -2.238 5.243 246 H ARG 28 HN ARG 28 -24.141 2.651 7.957 247 HA ARG 28 HA ARG 28 -25.256 4.415 5.818 248 1HB ARG 28 HB1 ARG 28 -27.133 2.638 5.837 249 2HB ARG 28 HB2 ARG 28 -26.050 1.655 6.813 250 1HG ARG 28 HG1 ARG 28 -24.314 2.121 4.919 251 2HG ARG 28 HG2 ARG 28 -25.719 2.559 3.958 252 1HD ARG 28 HD1 ARG 28 -25.606 0.279 3.501 253 2HD ARG 28 HD2 ARG 28 -26.665 0.259 4.911 254 HE ARG 28 HE ARG 28 -24.054 0.099 5.925 255 1HH1 ARG 28 HH21 ARG 28 -26.580 -1.723 4.651 256 2HH1 ARG 28 HH22 ARG 28 -25.714 -3.222 4.598 257 1HH2 ARG 28 HH11 ARG 28 -22.676 -1.728 5.505 258 2HH2 ARG 28 HH12 ARG 28 -23.445 -3.225 5.094 259 HA PRO 29 HA PRO 29 -26.958 5.765 9.930 260 1HB PRO 29 HB1 PRO 29 -26.117 7.892 10.110 261 2HB PRO 29 HB2 PRO 29 -27.194 8.440 8.825 262 1HG PRO 29 HG1 PRO 29 -24.327 7.963 8.680 263 2HG PRO 29 HG2 PRO 29 -25.386 8.607 7.425 264 1HD PRO 29 HD1 PRO 29 -25.366 6.616 6.322 265 2HD PRO 29 HD2 PRO 29 -24.186 6.016 7.497 266 OH TYR 30 OH TYR 30 -27.585 11.570 4.685 267 H TYR 30 HN TYR 30 -28.065 5.872 6.693 268 HA TYR 30 HA TYR 30 -30.713 6.935 7.459 269 1HB TYR 30 HB1 TYR 30 -31.223 6.651 5.029 270 2HB TYR 30 HB2 TYR 30 -29.698 5.810 4.799 271 HD1 TYR 30 HD1 TYR 30 -30.926 9.001 6.333 272 HD2 TYR 30 HD2 TYR 30 -27.915 7.109 4.000 273 HE1 TYR 30 HE1 TYR 30 -29.801 11.158 6.034 274 HE2 TYR 30 HE2 TYR 30 -26.789 9.265 3.706 275 HH TYR 30 HH TYR 30 -26.754 11.539 5.166 276 H HIS 31 HN HIS 31 -31.507 5.372 8.865 277 HA HIS 31 HA HIS 31 -31.912 2.634 7.735 278 1HB HIS 31 HB1 HIS 31 -32.253 1.928 10.063 279 2HB HIS 31 HB2 HIS 31 -32.286 3.602 10.608 280 HD1 HIS 31 HD1 HIS 31 -29.934 1.047 9.474 281 HD2 HIS 31 HD2 HIS 31 -29.779 4.873 10.809 282 HE1 HIS 31 HE1 HIS 31 -27.582 1.463 9.898 283 H CYS 32 HN CYS 32 -33.938 1.807 7.434 284 HA CYS 32 HA CYS 32 -36.125 3.655 7.218 285 1HB CYS 32 HB1 CYS 32 -35.903 0.623 7.191 286 2HB CYS 32 HB2 CYS 32 -36.190 1.690 5.839 287 H THR 33 HN THR 33 -38.125 3.622 8.416 288 HA THR 33 HA THR 33 -37.613 3.192 11.301 289 HB THR 33 HB THR 33 -39.893 4.588 9.775 290 HG1 THR 33 HG1 THR 33 -38.363 5.957 11.542 291 1HG2 THR 33 HG21 THR 33 -39.421 3.940 12.699 292 2HG2 THR 33 HG22 THR 33 -40.955 4.151 11.861 293 3HG2 THR 33 HG23 THR 33 -40.001 5.559 12.319 294 OH TYR 34 OH TYR 34 -44.169 4.466 9.372 295 H TYR 34 HN TYR 34 -38.304 1.088 9.176 296 HA TYR 34 HA TYR 34 -40.325 -0.294 10.869 297 1HB TYR 34 HB1 TYR 34 -41.527 -1.037 8.810 298 2HB TYR 34 HB2 TYR 34 -40.409 -0.116 7.814 299 HD1 TYR 34 HD2 TYR 34 -40.330 2.423 8.119 300 HD2 TYR 34 HD1 TYR 34 -43.410 0.025 9.810 301 HE1 TYR 34 HE2 TYR 34 -41.745 4.410 8.361 302 HE2 TYR 34 HE1 TYR 34 -44.822 2.016 10.052 303 HH TYR 34 HH TYR 34 -44.593 4.420 10.231 304 H CYS 35 HN CYS 35 -38.082 -0.542 8.164 305 HA CYS 35 HA CYS 35 -37.722 -3.428 8.665 306 1HB CYS 35 HB1 CYS 35 -36.395 -3.363 6.612 307 2HB CYS 35 HB2 CYS 35 -36.345 -1.625 6.644 308 H ASN 36 HN ASN 36 -35.221 -3.933 8.069 309 HA ASN 36 HA ASN 36 -33.635 -2.487 10.156 310 1HB ASN 36 HB1 ASN 36 -33.412 -5.367 9.131 311 2HB ASN 36 HB2 ASN 36 -34.095 -4.891 10.684 312 1HD2 ASN 36 HD21 ASN 36 -31.911 -2.686 10.795 313 2HD2 ASN 36 HD22 ASN 36 -30.528 -3.522 11.313 314 H PHE 37 HN PHE 37 -34.064 -2.411 7.034 315 HA PHE 37 HA PHE 37 -31.292 -2.770 6.121 316 1HB PHE 37 HB1 PHE 37 -33.432 -1.406 4.485 317 2HB PHE 37 HB2 PHE 37 -33.615 -3.125 4.824 318 HD1 PHE 37 HD2 PHE 37 -31.662 -4.679 4.227 319 HD2 PHE 37 HD1 PHE 37 -31.908 -0.666 2.825 320 HE1 PHE 37 HE2 PHE 37 -30.041 -5.196 2.456 321 HE2 PHE 37 HE1 PHE 37 -30.286 -1.187 1.055 322 HZ PHE 37 HZ PHE 37 -29.351 -3.451 0.870 323 H SER 38 HN SER 38 -30.043 -1.063 5.212 324 HA SER 38 HA SER 38 -30.938 1.677 5.870 325 1HB SER 38 HB1 SER 38 -28.162 0.717 6.660 326 2HB SER 38 HB2 SER 38 -29.525 0.600 7.780 327 HG SER 38 HG1 SER 38 -28.970 2.962 6.339 328 H PHE 39 HN PHE 39 -29.864 3.306 4.749 329 HA PHE 39 HA PHE 39 -28.276 2.341 2.401 330 1HB PHE 39 HB1 PHE 39 -29.443 3.965 1.066 331 2HB PHE 39 HB2 PHE 39 -30.020 4.829 2.489 332 HD1 PHE 39 HD2 PHE 39 -31.696 3.684 4.009 333 HD2 PHE 39 HD1 PHE 39 -30.677 2.094 0.197 334 HE1 PHE 39 HE2 PHE 39 -33.720 2.298 4.049 335 HE2 PHE 39 HE1 PHE 39 -32.701 0.702 0.243 336 HZ PHE 39 HZ PHE 39 -34.221 0.802 2.171 337 H LYS 40 HN LYS 40 -26.712 3.818 1.559 338 HA LYS 40 HA LYS 40 -25.362 5.318 3.687 339 1HB LYS 40 HB1 LYS 40 -24.709 4.640 0.785 340 2HB LYS 40 HB2 LYS 40 -23.996 3.939 2.217 341 1HG LYS 40 HG1 LYS 40 -23.634 6.815 1.294 342 2HG LYS 40 HG2 LYS 40 -22.435 5.541 1.196 343 1HD LYS 40 HD1 LYS 40 -22.656 5.297 3.721 344 2HD LYS 40 HD2 LYS 40 -23.568 6.798 3.704 345 1HE LYS 40 HE1 LYS 40 -21.199 7.268 4.141 346 2HE LYS 40 HE2 LYS 40 -21.660 7.922 2.576 347 1HZ LYS 40 HZ1 LYS 40 -19.546 6.332 3.011 348 2HZ LYS 40 HZ2 LYS 40 -20.309 6.533 1.507 349 3HZ LYS 40 HZ3 LYS 40 -20.705 5.206 2.490 350 H THR 41 HN THR 41 -27.557 5.944 1.187 351 HA THR 41 HA THR 41 -26.948 8.870 1.359 352 HB THR 41 HB THR 41 -27.505 9.072 -0.978 353 HG1 THR 41 HG1 THR 41 -29.446 7.867 -0.678 354 1HG2 THR 41 HG21 THR 41 -26.167 7.373 -2.097 355 2HG2 THR 41 HG22 THR 41 -26.592 6.147 -0.906 356 3HG2 THR 41 HG23 THR 41 -25.459 7.429 -0.486 357 H LYS 42 HN LYS 42 -28.731 10.285 1.213 358 HA LYS 42 HA LYS 42 -31.035 9.296 2.660 359 1HB LYS 42 HB1 LYS 42 -30.358 12.026 1.477 360 2HB LYS 42 HB2 LYS 42 -30.139 11.539 3.154 361 1HG LYS 42 HG1 LYS 42 -32.666 11.079 3.193 362 2HG LYS 42 HG2 LYS 42 -32.742 11.942 1.660 363 1HD LYS 42 HD1 LYS 42 -31.201 13.624 3.244 364 2HD LYS 42 HD2 LYS 42 -32.393 12.998 4.377 365 1HE LYS 42 HE1 LYS 42 -33.393 14.936 3.386 366 2HE LYS 42 HE2 LYS 42 -34.162 13.556 2.615 367 1HZ LYS 42 HZ1 LYS 42 -31.775 14.816 1.431 368 2HZ LYS 42 HZ2 LYS 42 -33.327 15.447 1.151 369 3HZ LYS 42 HZ3 LYS 42 -32.958 13.857 0.680 370 H GLY 43 HN GLY 43 -30.177 9.680 -0.601 371 1HA GLY 43 HA1 GLY 43 -31.423 9.503 -2.587 372 2HA GLY 43 HA2 GLY 43 -32.764 10.249 -1.722 373 H ASN 44 HN ASN 44 -30.991 7.162 -1.731 374 HA ASN 44 HA ASN 44 -33.033 5.488 -2.545 375 1HB ASN 44 HB1 ASN 44 -31.872 3.791 -0.891 376 2HB ASN 44 HB2 ASN 44 -30.769 5.118 -0.552 377 1HD2 ASN 44 HD21 ASN 44 -31.122 6.132 -3.410 378 2HD2 ASN 44 HD22 ASN 44 -30.162 5.095 -4.352 379 H LEU 45 HN LEU 45 -32.605 6.973 0.590 380 HA LEU 45 HA LEU 45 -34.444 5.402 2.077 381 1HB LEU 45 HB1 LEU 45 -34.139 8.413 2.393 382 2HB LEU 45 HB2 LEU 45 -32.802 7.348 2.792 383 HG LEU 45 HG LEU 45 -34.183 7.901 4.789 384 1HD1 LEU 45 HD11 LEU 45 -36.471 7.322 4.986 385 2HD1 LEU 45 HD12 LEU 45 -36.435 6.291 3.566 386 3HD1 LEU 45 HD13 LEU 45 -36.344 8.035 3.383 387 1HD2 LEU 45 HD21 LEU 45 -34.770 4.998 4.347 388 2HD2 LEU 45 HD22 LEU 45 -33.975 5.794 5.697 389 3HD2 LEU 45 HD23 LEU 45 -33.101 5.516 4.200 390 H THR 46 HN THR 46 -34.998 8.574 0.550 391 HA THR 46 HA THR 46 -37.784 8.662 0.914 392 HB THR 46 HB THR 46 -36.217 9.677 -1.535 393 HG1 THR 46 HG1 THR 46 -35.977 10.136 1.058 394 1HG2 THR 46 HG21 THR 46 -38.793 10.530 -0.096 395 2HG2 THR 46 HG22 THR 46 -38.653 10.058 -1.787 396 3HG2 THR 46 HG23 THR 46 -37.951 11.575 -1.236 397 H LYS 47 HN LYS 47 -35.868 6.952 -1.465 398 HA LYS 47 HA LYS 47 -38.104 6.277 -3.177 399 1HB LYS 47 HB1 LYS 47 -35.406 4.885 -2.807 400 2HB LYS 47 HB2 LYS 47 -35.713 6.206 -3.929 401 1HG LYS 47 HG1 LYS 47 -37.624 4.668 -4.837 402 2HG LYS 47 HG2 LYS 47 -36.751 3.377 -4.018 403 1HD LYS 47 HD1 LYS 47 -34.701 3.967 -5.267 404 2HD LYS 47 HD2 LYS 47 -35.565 5.269 -6.077 405 1HE LYS 47 HE1 LYS 47 -37.213 3.515 -6.903 406 2HE LYS 47 HE2 LYS 47 -36.105 2.294 -6.289 407 1HZ LYS 47 HZ1 LYS 47 -36.015 3.480 -8.744 408 2HZ LYS 47 HZ2 LYS 47 -34.789 2.545 -8.032 409 3HZ LYS 47 HZ3 LYS 47 -34.763 4.237 -7.881 410 H HIS 48 HN HIS 48 -36.403 4.549 -0.573 411 HA HIS 48 HA HIS 48 -37.987 2.157 -0.830 412 1HB HIS 48 HB1 HIS 48 -36.357 3.311 1.485 413 2HB HIS 48 HB2 HIS 48 -35.862 2.045 0.366 414 HD1 HIS 48 HD1 HIS 48 -37.490 -0.129 0.561 415 HD2 HIS 48 HD2 HIS 48 -37.543 2.369 3.798 416 HE1 HIS 48 HE1 HIS 48 -38.464 -1.445 2.379 417 H MET 49 HN MET 49 -38.619 5.230 0.559 418 HA MET 49 HA MET 49 -40.767 4.166 2.289 419 1HB MET 49 HB1 MET 49 -41.093 6.762 2.626 420 2HB MET 49 HB2 MET 49 -39.557 6.904 1.778 421 1HG MET 49 HG1 MET 49 -39.085 6.814 4.128 422 2HG MET 49 HG2 MET 49 -38.557 5.317 3.407 423 1HE MET 49 HE1 MET 49 -38.270 5.482 6.018 424 2HE MET 49 HE2 MET 49 -39.381 4.639 7.098 425 3HE MET 49 HE3 MET 49 -39.620 6.350 6.747 426 H LYS 50 HN LYS 50 -40.406 6.192 -0.594 427 HA LYS 50 HA LYS 50 -43.085 6.917 -0.989 428 1HB LYS 50 HB1 LYS 50 -41.367 5.958 -3.301 429 2HB LYS 50 HB2 LYS 50 -40.903 7.402 -2.408 430 1HG LYS 50 HG1 LYS 50 -43.106 8.410 -2.862 431 2HG LYS 50 HG2 LYS 50 -43.607 6.956 -3.719 432 1HD LYS 50 HD1 LYS 50 -42.028 7.316 -5.468 433 2HD LYS 50 HD2 LYS 50 -41.137 8.505 -4.525 434 1HE LYS 50 HE1 LYS 50 -42.526 9.639 -6.207 435 2HE LYS 50 HE2 LYS 50 -43.114 10.012 -4.591 436 1HZ LYS 50 HZ1 LYS 50 -44.231 7.926 -6.380 437 2HZ LYS 50 HZ2 LYS 50 -44.910 9.460 -6.111 438 3HZ LYS 50 HZ3 LYS 50 -44.814 8.338 -4.839 439 H SER 51 HN SER 51 -41.474 3.874 -1.773 440 HA SER 51 HA SER 51 -43.511 2.662 -3.293 441 1HB SER 51 HB1 SER 51 -41.529 1.493 -1.274 442 2HB SER 51 HB2 SER 51 -41.398 1.485 -3.044 443 HG SER 51 HG1 SER 51 -42.820 -0.080 -3.154 444 H LYS 52 HN LYS 52 -45.023 0.969 -2.619 445 HA LYS 52 HA LYS 52 -46.734 1.932 -0.495 446 1HB LYS 52 HB1 LYS 52 -48.038 -0.193 -1.057 447 2HB LYS 52 HB2 LYS 52 -46.738 -0.632 -2.156 448 1HG LYS 52 HG1 LYS 52 -48.481 0.478 -3.447 449 2HG LYS 52 HG2 LYS 52 -47.082 1.539 -3.368 450 1HD LYS 52 HD1 LYS 52 -48.195 3.111 -2.144 451 2HD LYS 52 HD2 LYS 52 -48.986 1.908 -1.136 452 1HE LYS 52 HE1 LYS 52 -49.774 2.589 -3.988 453 2HE LYS 52 HE2 LYS 52 -50.622 3.133 -2.546 454 1HZ LYS 52 HZ1 LYS 52 -51.795 1.275 -3.228 455 2HZ LYS 52 HZ2 LYS 52 -50.794 0.662 -2.001 456 3HZ LYS 52 HZ3 LYS 52 -50.396 0.401 -3.630 457 H ALA 53 HN ALA 53 -43.897 0.508 -0.159 458 HA ALA 53 HA ALA 53 -44.133 -1.790 1.391 459 1HB ALA 53 HB1 ALA 53 -42.241 0.500 1.240 460 2HB ALA 53 HB2 ALA 53 -41.895 -1.226 1.293 461 3HB ALA 53 HB3 ALA 53 -42.215 -0.345 2.784 462 H HIS 54 HN HIS 54 -43.631 1.306 3.043 463 HA HIS 54 HA HIS 54 -46.010 1.121 4.614 464 1HB HIS 54 HB1 HIS 54 -45.102 -0.603 5.886 465 2HB HIS 54 HB2 HIS 54 -44.447 0.764 6.772 466 HD1 HIS 54 HD1 HIS 54 -43.405 -2.114 4.890 467 HD2 HIS 54 HD2 HIS 54 -41.649 1.407 6.006 468 HE1 HIS 54 HE1 HIS 54 -40.991 -2.484 4.663 469 H SER 55 HN SER 55 -46.343 3.225 4.585 470 HA SER 55 HA SER 55 -44.415 4.964 5.972 471 1HB SER 55 HB1 SER 55 -44.657 6.676 4.067 472 2HB SER 55 HB2 SER 55 -45.420 5.394 3.106 473 HG SER 55 HG1 SER 55 -43.066 5.549 2.926 474 H LYS 56 HN LYS 56 -45.815 5.356 7.574 475 HA LYS 56 HA LYS 56 -48.617 5.936 7.194 476 1HB LYS 56 HB1 LYS 56 -48.579 6.454 9.604 477 2HB LYS 56 HB2 LYS 56 -46.827 6.603 9.580 478 1HG LYS 56 HG1 LYS 56 -46.653 4.211 8.904 479 2HG LYS 56 HG2 LYS 56 -48.402 4.068 8.998 480 1HD LYS 56 HD1 LYS 56 -46.875 5.119 11.376 481 2HD LYS 56 HD2 LYS 56 -46.913 3.387 11.075 482 1HE LYS 56 HE1 LYS 56 -49.540 4.767 10.897 483 2HE LYS 56 HE2 LYS 56 -48.825 4.702 12.501 484 1HZ LYS 56 HZ1 LYS 56 -49.128 2.331 10.755 485 2HZ LYS 56 HZ2 LYS 56 -50.272 2.791 11.922 486 3HZ LYS 56 HZ3 LYS 56 -48.701 2.359 12.398 487 H LYS 57 HN LYS 57 -47.729 7.598 5.451 488 HA LYS 57 HA LYS 57 -46.752 10.116 6.176 489 1HB LYS 57 HB1 LYS 57 -47.121 9.331 3.819 490 2HB LYS 57 HB2 LYS 57 -47.843 10.914 4.087 491 1HG LYS 57 HG1 LYS 57 -49.985 10.117 3.896 492 2HG LYS 57 HG2 LYS 57 -49.600 8.600 4.701 493 1HD LYS 57 HD1 LYS 57 -50.132 8.192 2.332 494 2HD LYS 57 HD2 LYS 57 -48.442 7.816 2.643 495 1HE LYS 57 HE1 LYS 57 -47.690 9.809 1.599 496 2HE LYS 57 HE2 LYS 57 -49.276 10.562 1.698 497 1HZ LYS 57 HZ1 LYS 57 -50.063 8.797 0.146 498 2HZ LYS 57 HZ2 LYS 57 -48.442 8.338 -0.068 499 3HZ LYS 57 LYS 57 -48.952 9.893 -0.523 Start of MODEL 4 Raw file had 499 H/Q atoms Start of MODEL 4 1 1H LYS 1 HT1 LYS 1 -6.910 -2.888 -10.698 2 2H LYS 1 HT2 LYS 1 -7.281 -2.015 -9.289 3 3H LYS 1 HT3 LYS 1 -7.895 -1.508 -10.789 4 HA LYS 1 HA LYS 1 -9.302 -3.382 -10.971 5 1HB LYS 1 HB1 LYS 1 -9.014 -5.309 -9.720 6 2HB LYS 1 HB2 LYS 1 -8.669 -4.413 -8.245 7 1HG LYS 1 HG1 LYS 1 -6.387 -3.983 -8.971 8 2HG LYS 1 HG2 LYS 1 -6.713 -4.690 -10.550 9 1HD LYS 1 HD1 LYS 1 -7.012 -6.884 -9.596 10 2HD LYS 1 HD2 LYS 1 -7.008 -6.238 -7.959 11 1HE LYS 1 HE1 LYS 1 -4.697 -5.793 -8.004 12 2HE LYS 1 HE2 LYS 1 -4.635 -5.792 -9.762 13 1HZ LYS 1 HZ1 LYS 1 -4.908 -8.135 -9.806 14 2HZ LYS 1 HZ2 LYS 1 -5.214 -8.201 -8.137 15 3HZ LYS 1 HZ3 LYS 1 -3.665 -7.789 -8.700 16 OH TYR 2 OH TYR 2 -7.173 2.389 -8.410 17 H TYR 2 HN TYR 2 -11.276 -2.696 -10.498 18 HA TYR 2 HA TYR 2 -11.851 -1.684 -7.768 19 1HB TYR 2 HB1 TYR 2 -12.935 0.349 -8.724 20 2HB TYR 2 HB2 TYR 2 -12.413 -0.131 -10.338 21 HD1 TYR 2 HD2 TYR 2 -11.197 0.879 -6.988 22 HD2 TYR 2 HD1 TYR 2 -10.162 0.264 -11.064 23 HE1 TYR 2 HE2 TYR 2 -9.053 2.010 -6.614 24 HE2 TYR 2 HE1 TYR 2 -8.010 1.376 -10.688 25 HH TYR 2 HH TYR 2 -7.201 2.803 -7.545 26 H ILE 3 HN ILE 3 -12.895 -3.897 -8.080 27 HA ILE 3 HA ILE 3 -15.706 -3.423 -8.930 28 HB ILE 3 HB ILE 3 -14.216 -6.019 -9.521 29 1HG1 ILE 3 HG11 ILE 3 -13.088 -4.247 -10.768 30 2HG1 ILE 3 HG12 ILE 3 -14.630 -3.614 -11.331 31 1HG2 ILE 3 HG21 ILE 3 -16.156 -6.540 -10.813 32 2HG2 ILE 3 HG22 ILE 3 -16.625 -4.849 -10.963 33 3HG2 ILE 3 HG23 ILE 3 -16.845 -5.692 -9.432 34 1HD1 ILE 3 HD1 ILE 3 -13.297 -5.206 -12.914 35 2HD1 ILE 3 HD2 ILE 3 -15.026 -5.477 -12.725 36 3HD1 ILE 3 HD3 ILE 3 -13.876 -6.488 -11.855 37 H CYS 4 HN CYS 4 -17.019 -3.917 -7.288 38 HA CYS 4 HA CYS 4 -16.020 -5.183 -4.927 39 1HB CYS 4 HB1 CYS 4 -18.833 -4.642 -5.894 40 2HB CYS 4 HB2 CYS 4 -17.909 -3.676 -4.779 41 H GLU 5 HN GLU 5 -15.594 -7.214 -4.656 42 HA GLU 5 HA GLU 5 -16.368 -9.260 -6.483 43 1HB GLU 5 HB1 GLU 5 -15.366 -10.794 -4.783 44 2HB GLU 5 HB2 GLU 5 -15.355 -9.482 -3.611 45 1HG GLU 5 HG1 GLU 5 -13.456 -8.607 -4.487 46 2HG GLU 5 HG2 GLU 5 -14.100 -8.688 -6.125 47 H GLU 6 HN GLU 6 -18.048 -7.832 -3.889 48 HA GLU 6 HA GLU 6 -19.697 -10.201 -3.413 49 1HB GLU 6 HB1 GLU 6 -20.207 -7.419 -2.311 50 2HB GLU 6 HB2 GLU 6 -18.953 -8.446 -1.625 51 1HG GLU 6 HG1 GLU 6 -20.638 -10.219 -1.215 52 2HG GLU 6 HG2 GLU 6 -21.890 -9.182 -1.891 53 H CYS 7 HN CYS 7 -20.587 -6.808 -4.035 54 HA CYS 7 HA CYS 7 -23.117 -7.618 -5.197 55 1HB CYS 7 HB1 CYS 7 -23.471 -5.283 -5.587 56 2HB CYS 7 HB2 CYS 7 -21.767 -4.945 -5.622 57 H GLY 8 HN GLY 8 -20.099 -6.304 -6.508 58 1HA GLY 8 HA1 GLY 8 -20.859 -7.435 -9.166 59 2HA GLY 8 HA2 GLY 8 -19.204 -7.154 -8.631 60 H ILE 9 HN ILE 9 -20.309 -4.529 -7.443 61 HA ILE 9 HA ILE 9 -21.193 -2.890 -9.574 62 HB ILE 9 HB ILE 9 -21.087 -2.424 -6.995 63 1HG1 ILE 9 HG11 ILE 9 -20.655 -0.503 -9.250 64 2HG1 ILE 9 HG12 ILE 9 -20.564 0.119 -7.606 65 1HG2 ILE 9 HG21 ILE 9 -18.473 -2.719 -7.124 66 2HG2 ILE 9 HG22 ILE 9 -19.088 -1.380 -6.170 67 3HG2 ILE 9 HG23 ILE 9 -18.462 -1.092 -7.787 68 1HD1 ILE 9 HD1 ILE 9 -22.789 -0.577 -7.106 69 2HD1 ILE 9 HD2 ILE 9 -22.861 -1.624 -8.519 70 3HD1 ILE 9 HD3 ILE 9 -22.892 0.125 -8.718 71 NH1 ARG 10 NH2 ARG 10 -15.296 -1.337 -16.732 72 NH2 ARG 10 NH1 ARG 10 -16.568 -3.021 -17.609 73 H ARG 10 HN ARG 10 -20.168 -1.778 -11.136 74 HA ARG 10 HA ARG 10 -17.229 -2.238 -11.402 75 1HB ARG 10 HB1 ARG 10 -19.248 -1.424 -13.540 76 2HB ARG 10 HB2 ARG 10 -18.835 -3.097 -13.191 77 1HG ARG 10 HG1 ARG 10 -16.411 -1.559 -13.488 78 2HG ARG 10 HG2 ARG 10 -17.444 -1.290 -14.886 79 1HD ARG 10 HD1 ARG 10 -17.703 -3.762 -15.135 80 2HD ARG 10 HD2 ARG 10 -16.586 -3.989 -13.790 81 HE ARG 10 HE ARG 10 -14.850 -3.614 -15.328 82 1HH1 ARG 10 HH21 ARG 10 -14.761 -0.978 -15.968 83 2HH1 ARG 10 HH22 ARG 10 -15.400 -0.798 -17.568 84 1HH2 ARG 10 HH11 ARG 10 -16.985 -3.924 -17.502 85 2HH2 ARG 10 HH12 ARG 10 -16.692 -2.511 -18.459 86 H ABA 11 HN ABU 11 -16.113 -0.526 -10.710 87 HA ABA 11 HA ABU 11 -16.923 2.160 -11.737 88 1HB ABA 11 HB1 ABU 11 -16.400 3.135 -9.549 89 2HB ABA 11 HB2 ABU 11 -15.878 1.584 -8.938 90 1HG ABA 11 HG1 ABU 11 -18.694 2.287 -9.812 91 2HG ABA 11 HG2 ABU 11 -18.156 2.050 -8.151 92 3HG ABA 11 HG3 ABU 11 -18.179 0.693 -9.273 93 H LYS 12 HN LYS 12 -15.312 2.268 -13.226 94 HA LYS 12 HA LYS 12 -12.663 1.388 -12.954 95 1HB LYS 12 HB1 LYS 12 -12.200 3.150 -14.753 96 2HB LYS 12 HB2 LYS 12 -13.860 3.695 -14.541 97 1HG LYS 12 HG1 LYS 12 -14.668 1.409 -15.084 98 2HG LYS 12 HG2 LYS 12 -13.005 0.884 -15.320 99 1HD LYS 12 HD1 LYS 12 -13.945 3.291 -16.839 100 2HD LYS 12 HD2 LYS 12 -14.494 1.709 -17.377 101 1HE LYS 12 HE1 LYS 12 -12.333 0.985 -17.891 102 2HE LYS 12 HE2 LYS 12 -11.581 2.104 -16.761 103 1HZ LYS 12 HZ1 LYS 12 -13.062 3.283 -18.969 104 2HZ LYS 12 HZ2 LYS 12 -11.610 2.497 -19.367 105 3HZ LYS 12 HZ3 LYS 12 -11.606 3.775 -18.249 106 H LYS 13 HN LYS 13 -14.154 4.000 -11.327 107 HA LYS 13 HA LYS 13 -11.499 5.250 -10.819 108 1HB LYS 13 HB1 LYS 13 -12.990 7.127 -9.830 109 2HB LYS 13 HB2 LYS 13 -14.348 6.256 -10.531 110 1HG LYS 13 HG1 LYS 13 -13.880 7.528 -12.376 111 2HG LYS 13 HG2 LYS 13 -12.643 6.307 -12.660 112 1HD LYS 13 HD1 LYS 13 -11.022 7.694 -11.359 113 2HD LYS 13 HD2 LYS 13 -12.262 8.929 -11.172 114 1HE LYS 13 HE1 LYS 13 -10.886 9.561 -13.061 115 2HE LYS 13 HE2 LYS 13 -12.435 9.018 -13.694 116 1HZ LYS 13 HZ1 LYS 13 -9.814 7.735 -13.835 117 2HZ LYS 13 HZ2 LYS 13 -11.031 7.853 -15.013 118 3HZ LYS 13 HZ3 LYS 13 -11.182 6.733 -13.745 119 HA PRO 14 HA PRO 14 -11.468 3.669 -6.662 120 1HB PRO 14 HB1 PRO 14 -9.423 4.533 -6.032 121 2HB PRO 14 HB2 PRO 14 -10.267 5.960 -5.429 122 1HG PRO 14 HG1 PRO 14 -8.480 5.892 -7.626 123 2HG PRO 14 HG2 PRO 14 -9.559 7.225 -7.214 124 1HD PRO 14 HD1 PRO 14 -10.682 6.794 -9.168 125 2HD PRO 14 HD2 PRO 14 -9.769 5.288 -9.398 126 H SER 15 HN SER 15 -11.770 7.197 -6.267 127 HA SER 15 HA SER 15 -13.283 7.505 -4.063 128 1HB SER 15 HB1 SER 15 -12.836 9.446 -5.496 129 2HB SER 15 HB2 SER 15 -14.602 9.339 -5.359 130 HG SER 15 HG1 SER 15 -14.731 8.542 -7.343 131 H MET 16 HN MET 16 -14.662 6.436 -7.149 132 HA MET 16 HA MET 16 -17.339 6.220 -6.097 133 1HB MET 16 HB1 MET 16 -17.536 4.638 -8.193 134 2HB MET 16 HB2 MET 16 -15.889 5.158 -8.542 135 1HG MET 16 HG1 MET 16 -16.773 7.547 -8.219 136 2HG MET 16 HG2 MET 16 -18.370 6.852 -8.310 137 1HE MET 16 HE1 MET 16 -18.968 5.885 -11.847 138 2HE MET 16 HE2 MET 16 -19.659 6.396 -10.307 139 3HE MET 16 HE3 MET 16 -18.678 4.933 -10.390 140 H LEU 17 HN LEU 17 -14.824 3.763 -6.805 141 HA LEU 17 HA LEU 17 -16.362 1.626 -5.638 142 1HB LEU 17 HB1 LEU 17 -13.324 1.691 -5.811 143 2HB LEU 17 HB2 LEU 17 -14.286 1.531 -7.259 144 HG LEU 17 HG LEU 17 -13.518 -0.681 -6.340 145 1HD1 LEU 17 HD11 LEU 17 -15.463 -0.234 -4.075 146 2HD1 LEU 17 HD12 LEU 17 -13.746 0.113 -3.922 147 3HD1 LEU 17 HD13 LEU 17 -14.286 -1.522 -4.268 148 1HD2 LEU 17 HD21 LEU 17 -15.501 -1.834 -6.813 149 2HD2 LEU 17 HD22 LEU 17 -15.787 -0.291 -7.595 150 3HD2 LEU 17 HD23 LEU 17 -16.523 -0.632 -6.041 151 H LYS 18 HN LYS 18 -13.426 3.292 -4.516 152 HA LYS 18 HA LYS 18 -13.056 2.347 -2.004 153 1HB LYS 18 HB1 LYS 18 -13.016 5.181 -3.078 154 2HB LYS 18 HB2 LYS 18 -11.658 4.173 -2.594 155 1HG LYS 18 HG1 LYS 18 -12.705 4.316 -0.205 156 2HG LYS 18 HG2 LYS 18 -13.591 5.695 -0.848 157 1HD LYS 18 HD1 LYS 18 -11.405 6.687 -1.579 158 2HD LYS 18 HD2 LYS 18 -10.577 5.357 -0.776 159 1HE LYS 18 HE1 LYS 18 -10.707 6.487 1.172 160 2HE LYS 18 HE2 LYS 18 -12.461 6.391 1.085 161 1HZ LYS 18 HZ1 LYS 18 -12.492 8.409 -0.214 162 2HZ LYS 18 HZ2 LYS 18 -10.796 8.493 -0.181 163 3HZ LYS 18 HZ3 LYS 18 -11.682 8.671 1.256 164 H LYS 19 HN LYS 19 -15.562 4.716 -2.854 165 HA LYS 19 HA LYS 19 -16.590 4.843 -0.176 166 1HB LYS 19 HB1 LYS 19 -18.701 5.629 -1.722 167 2HB LYS 19 HB2 LYS 19 -17.406 5.793 -2.901 168 1HG LYS 19 HG1 LYS 19 -16.141 7.214 -1.322 169 2HG LYS 19 HG2 LYS 19 -17.428 7.044 -0.133 170 1HD LYS 19 HD1 LYS 19 -19.017 8.017 -1.855 171 2HD LYS 19 HD2 LYS 19 -17.612 8.370 -2.856 172 1HE LYS 19 HE1 LYS 19 -16.693 9.516 -0.669 173 2HE LYS 19 HE2 LYS 19 -18.388 9.555 -0.202 174 1HZ LYS 19 HZ1 LYS 19 -18.291 11.494 -1.314 175 2HZ LYS 19 HZ2 LYS 19 -18.595 10.490 -2.651 176 3HZ LYS 19 HZ3 LYS 19 -17.010 11.004 -2.316 177 H HIS 20 HN HIS 20 -17.434 3.046 -3.088 178 HA HIS 20 HA HIS 20 -19.808 1.834 -2.132 179 1HB HIS 20 HB1 HIS 20 -17.687 0.713 -4.011 180 2HB HIS 20 HB2 HIS 20 -19.078 1.670 -4.510 181 HD1 HIS 20 HD1 HIS 20 -21.080 0.245 -4.965 182 HD2 HIS 20 HD2 HIS 20 -18.386 -1.770 -2.680 183 HE1 HIS 20 HE1 HIS 20 -22.016 -1.996 -4.676 184 H ILE 21 HN ILE 21 -16.481 0.550 -2.157 185 HA ILE 21 HA ILE 21 -17.091 -1.821 -0.745 186 HB ILE 21 HB ILE 21 -14.816 -0.884 -1.884 187 1HG1 ILE 21 HG11 ILE 21 -14.997 -2.835 0.441 188 2HG1 ILE 21 HG12 ILE 21 -13.576 -2.667 -0.580 189 1HG2 ILE 21 HG21 ILE 21 -13.183 -0.161 -0.263 190 2HG2 ILE 21 HG22 ILE 21 -14.193 -0.634 1.097 191 3HG2 ILE 21 HG23 ILE 21 -14.613 0.766 0.129 192 1HD1 ILE 21 HD1 ILE 21 -15.793 -2.918 -2.345 193 2HD1 ILE 21 HD2 ILE 21 -16.004 -4.145 -1.102 194 3HD1 ILE 21 HD3 ILE 21 -14.523 -4.099 -2.052 195 NH1 ARG 22 NH2 ARG 22 -12.200 2.379 3.598 196 NH2 ARG 22 NH1 ARG 22 -11.596 3.911 2.013 197 H ARG 22 HN ARG 22 -16.621 1.453 0.395 198 HA ARG 22 HA ARG 22 -16.376 0.675 3.197 199 1HB ARG 22 HB1 ARG 22 -17.030 3.220 3.458 200 2HB ARG 22 HB2 ARG 22 -16.874 3.275 1.705 201 1HG ARG 22 HG1 ARG 22 -14.572 2.428 1.856 202 2HG ARG 22 HG2 ARG 22 -14.720 2.280 3.603 203 1HD ARG 22 HD1 ARG 22 -15.309 4.811 3.564 204 2HD ARG 22 HD2 ARG 22 -14.634 4.799 1.936 205 HE ARG 22 HE ARG 22 -13.032 5.009 4.171 206 1HH1 ARG 22 HH21 ARG 22 -12.786 2.130 4.368 207 2HH1 ARG 22 HH22 ARG 22 -11.507 1.737 3.269 208 1HH2 ARG 22 HH11 ARG 22 -11.732 4.809 1.595 209 2HH2 ARG 22 HH12 ARG 22 -10.894 3.294 1.658 210 H THR 23 HN THR 23 -18.987 0.972 1.010 211 HA THR 23 HA THR 23 -21.010 1.639 2.980 212 HB THR 23 HB THR 23 -21.557 0.036 0.427 213 HG1 THR 23 HG1 THR 23 -20.059 2.172 0.640 214 1HG2 THR 23 HG21 THR 23 -22.957 2.591 1.131 215 2HG2 THR 23 HG22 THR 23 -23.237 1.285 2.279 216 3HG2 THR 23 HG23 THR 23 -23.661 1.073 0.583 217 H HIS 24 HN HIS 24 -19.282 -1.241 2.247 218 HA HIS 24 HA HIS 24 -21.378 -3.024 3.311 219 1HB HIS 24 HB1 HIS 24 -19.405 -4.720 3.178 220 2HB HIS 24 HB2 HIS 24 -18.483 -3.419 2.431 221 HD1 HIS 24 HD1 HIS 24 -21.772 -5.134 1.806 222 HD2 HIS 24 HD2 HIS 24 -18.794 -3.284 -0.279 223 HE1 HIS 24 HE1 HIS 24 -22.356 -5.411 -0.580 224 H THR 25 HN THR 25 -19.700 -0.801 4.793 225 HA THR 25 HA THR 25 -18.526 -2.372 6.975 226 HB THR 25 HB THR 25 -18.231 0.042 7.923 227 HG1 THR 25 HG1 THR 25 -18.681 1.516 6.058 228 1HG2 THR 25 HG21 THR 25 -16.660 0.773 6.092 229 2HG2 THR 25 HG22 THR 25 -17.364 -0.436 5.022 230 3HG2 THR 25 HG23 THR 25 -16.435 -0.940 6.431 231 H ASP 26 HN ASP 26 -20.209 0.455 7.822 232 HA ASP 26 HA ASP 26 -22.594 -0.966 8.777 233 1HB ASP 26 HB1 ASP 26 -22.196 -0.201 11.148 234 2HB ASP 26 HB2 ASP 26 -20.618 0.418 10.666 235 H VAL 27 HN VAL 27 -21.803 1.151 6.969 236 HA VAL 27 HA VAL 27 -23.069 3.529 8.212 237 HB VAL 27 HB VAL 27 -20.905 3.851 7.073 238 1HG1 VAL 27 HG11 VAL 27 -22.284 2.799 4.587 239 2HG1 VAL 27 HG12 VAL 27 -21.121 1.897 5.542 240 3HG1 VAL 27 HG13 VAL 27 -20.618 3.353 4.698 241 1HG2 VAL 27 HG21 VAL 27 -21.560 5.845 6.200 242 2HG2 VAL 27 HG22 VAL 27 -23.197 5.341 6.605 243 3HG2 VAL 27 HG23 VAL 27 -22.570 5.073 4.984 244 NH1 ARG 28 NH1 ARG 28 -25.591 -3.172 2.389 245 NH2 ARG 28 NH2 ARG 28 -23.357 -3.077 1.920 246 H ARG 28 HN ARG 28 -24.791 1.471 7.723 247 HA ARG 28 HA ARG 28 -26.429 2.503 5.440 248 1HB ARG 28 HB1 ARG 28 -27.303 0.060 5.388 249 2HB ARG 28 HB2 ARG 28 -25.914 -0.341 6.389 250 1HG ARG 28 HG1 ARG 28 -24.641 1.049 4.483 251 2HG ARG 28 HG2 ARG 28 -26.014 0.500 3.530 252 1HD ARG 28 HD1 ARG 28 -25.490 -1.839 4.603 253 2HD ARG 28 HD2 ARG 28 -23.901 -1.143 4.912 254 HE ARG 28 HE ARG 28 -24.115 -0.581 2.301 255 1HH1 ARG 28 HH11 ARG 28 -26.409 -2.727 2.755 256 2HH1 ARG 28 HH12 ARG 28 -25.648 -4.101 2.025 257 1HH2 ARG 28 HH21 ARG 28 -22.500 -2.561 1.935 258 2HH2 ARG 28 HH22 ARG 28 -23.376 -4.005 1.547 259 HA PRO 29 HA PRO 29 -28.783 2.861 9.417 260 1HB PRO 29 HB1 PRO 29 -29.178 5.118 9.521 261 2HB PRO 29 HB2 PRO 29 -30.304 5.008 8.169 262 1HG PRO 29 HG1 PRO 29 -27.567 6.027 8.162 263 2HG PRO 29 HG2 PRO 29 -28.748 6.061 6.851 264 1HD PRO 29 HD1 PRO 29 -27.733 4.310 5.811 265 2HD PRO 29 HD2 PRO 29 -26.431 4.406 7.011 266 OH TYR 30 OH TYR 30 -32.771 7.624 3.708 267 H TYR 30 HN TYR 30 -30.009 2.918 6.090 268 HA TYR 30 HA TYR 30 -32.731 2.287 6.777 269 1HB TYR 30 HB1 TYR 30 -32.849 1.521 4.354 270 2HB TYR 30 HB2 TYR 30 -31.108 1.742 4.244 271 HD1 TYR 30 HD1 TYR 30 -34.198 3.610 5.239 272 HD2 TYR 30 HD2 TYR 30 -30.273 3.849 3.613 273 HE1 TYR 30 HE1 TYR 30 -34.526 5.998 4.797 274 HE2 TYR 30 HE2 TYR 30 -30.604 6.237 3.172 275 HH TYR 30 HH TYR 30 -32.781 7.752 2.757 276 H HIS 31 HN HIS 31 -32.844 0.600 8.240 277 HA HIS 31 HA HIS 31 -31.686 -2.028 7.415 278 1HB HIS 31 HB1 HIS 31 -32.216 -2.692 9.778 279 2HB HIS 31 HB2 HIS 31 -32.954 -1.117 10.050 280 HD1 HIS 31 HD1 HIS 31 -29.628 -2.491 9.181 281 HD2 HIS 31 HD2 HIS 31 -31.214 0.850 10.843 282 HE1 HIS 31 HE1 HIS 31 -27.714 -1.204 9.934 283 H CYS 32 HN CYS 32 -32.977 -3.753 6.870 284 HA CYS 32 HA CYS 32 -35.676 -3.310 6.106 285 1HB CYS 32 HB1 CYS 32 -34.011 -5.776 6.670 286 2HB CYS 32 HB2 CYS 32 -34.635 -5.215 5.141 287 H THR 33 HN THR 33 -37.645 -3.997 7.067 288 HA THR 33 HA THR 33 -37.609 -3.740 9.987 289 HB THR 33 HB THR 33 -39.993 -4.295 8.126 290 HG1 THR 33 HG1 THR 33 -38.718 -2.450 7.593 291 1HG2 THR 33 HG21 THR 33 -41.233 -3.993 10.066 292 2HG2 THR 33 HG22 THR 33 -40.402 -2.468 10.360 293 3HG2 THR 33 HG23 THR 33 -39.733 -3.971 10.987 294 OH TYR 34 OH TYR 34 -43.359 -6.571 7.470 295 H TYR 34 HN TYR 34 -36.646 -6.198 8.391 296 HA TYR 34 HA TYR 34 -37.857 -8.155 10.261 297 1HB TYR 34 HB1 TYR 34 -38.231 -9.784 8.424 298 2HB TYR 34 HB2 TYR 34 -37.602 -8.639 7.248 299 HD1 TYR 34 HD2 TYR 34 -38.878 -6.479 6.846 300 HD2 TYR 34 HD1 TYR 34 -40.508 -9.665 9.143 301 HE1 TYR 34 HE2 TYR 34 -41.128 -5.563 6.521 302 HE2 TYR 34 HE1 TYR 34 -42.759 -8.744 8.816 303 HH TYR 34 HH TYR 34 -43.483 -6.415 6.532 304 H CYS 35 HN CYS 35 -35.748 -8.287 7.410 305 HA CYS 35 HA CYS 35 -33.923 -10.169 8.525 306 1HB CYS 35 HB1 CYS 35 -32.459 -9.527 6.672 307 2HB CYS 35 HB2 CYS 35 -33.296 -8.015 6.476 308 H ASN 36 HN ASN 36 -31.446 -9.186 8.117 309 HA ASN 36 HA ASN 36 -31.146 -7.084 10.223 310 1HB ASN 36 HB1 ASN 36 -29.282 -9.432 9.586 311 2HB ASN 36 HB2 ASN 36 -30.417 -9.409 10.934 312 1HD2 ASN 36 HD21 ASN 36 -30.037 -6.596 11.621 313 2HD2 ASN 36 HD22 ASN 36 -28.478 -6.447 12.277 314 H PHE 37 HN PHE 37 -30.991 -7.602 7.061 315 HA PHE 37 HA PHE 37 -28.364 -6.469 6.457 316 1HB PHE 37 HB1 PHE 37 -30.680 -6.572 4.507 317 2HB PHE 37 HB2 PHE 37 -29.908 -8.074 5.009 318 HD1 PHE 37 HD2 PHE 37 -27.368 -8.280 4.708 319 HD2 PHE 37 HD1 PHE 37 -29.643 -5.168 2.893 320 HE1 PHE 37 HE2 PHE 37 -25.540 -7.864 3.121 321 HE2 PHE 37 HE1 PHE 37 -27.812 -4.758 1.310 322 HZ PHE 37 HZ PHE 37 -25.760 -6.105 1.423 323 H SER 38 HN SER 38 -28.233 -4.487 5.069 324 HA SER 38 HA SER 38 -30.412 -2.565 5.532 325 1HB SER 38 HB1 SER 38 -27.563 -1.980 6.470 326 2HB SER 38 HB2 SER 38 -28.863 -2.490 7.556 327 HG SER 38 HG1 SER 38 -29.058 -0.331 5.731 328 H PHE 39 HN PHE 39 -29.872 -0.420 4.529 329 HA PHE 39 HA PHE 39 -28.027 -0.729 2.207 330 1HB PHE 39 HB1 PHE 39 -29.761 0.010 0.707 331 2HB PHE 39 HB2 PHE 39 -30.785 0.539 2.043 332 HD1 PHE 39 HD2 PHE 39 -31.813 -1.179 3.568 333 HD2 PHE 39 HD1 PHE 39 -29.761 -2.302 0.008 334 HE1 PHE 39 HE2 PHE 39 -32.792 -3.426 3.709 335 HE2 PHE 39 HE1 PHE 39 -30.756 -4.544 0.147 336 HZ PHE 39 HZ PHE 39 -32.268 -5.107 2.001 337 H LYS 40 HN LYS 40 -27.442 1.305 1.216 338 HA LYS 40 HA LYS 40 -27.091 3.398 3.254 339 1HB LYS 40 HB1 LYS 40 -26.073 3.024 0.399 340 2HB LYS 40 HB2 LYS 40 -25.171 2.738 1.871 341 1HG LYS 40 HG1 LYS 40 -26.159 5.434 0.870 342 2HG LYS 40 HG2 LYS 40 -24.492 4.886 0.922 343 1HD LYS 40 HD1 LYS 40 -25.025 4.507 3.485 344 2HD LYS 40 HD2 LYS 40 -26.277 5.702 3.186 345 1HE LYS 40 HE1 LYS 40 -23.292 5.997 2.949 346 2HE LYS 40 HE2 LYS 40 -24.440 7.042 3.777 347 1HZ LYS 40 HZ1 LYS 40 -23.614 7.037 1.022 348 2HZ LYS 40 HZ2 LYS 40 -24.269 8.291 1.961 349 3HZ LYS 40 HZ3 LYS 40 -25.296 7.152 1.231 350 H THR 41 HN THR 41 -29.177 2.738 0.631 351 HA THR 41 HA THR 41 -30.192 5.549 0.769 352 HB THR 41 HB THR 41 -30.451 5.601 -1.646 353 HG1 THR 41 HG1 THR 41 -30.603 3.726 -2.735 354 1HG2 THR 41 HG21 THR 41 -28.231 5.033 -2.513 355 2HG2 THR 41 HG22 THR 41 -28.010 3.774 -1.301 356 3HG2 THR 41 HG23 THR 41 -27.944 5.470 -0.831 357 H LYS 42 HN LYS 42 -32.420 5.800 0.262 358 HA LYS 42 HA LYS 42 -34.038 3.715 1.394 359 1HB LYS 42 HB1 LYS 42 -34.890 6.201 -0.160 360 2HB LYS 42 HB2 LYS 42 -34.544 6.186 1.564 361 1HG LYS 42 HG1 LYS 42 -36.303 4.301 1.721 362 2HG LYS 42 HG2 LYS 42 -36.784 4.780 0.097 363 1HD LYS 42 HD1 LYS 42 -36.677 7.216 1.318 364 2HD LYS 42 HD2 LYS 42 -37.158 6.202 2.674 365 1HE LYS 42 HE1 LYS 42 -39.156 7.002 1.500 366 2HE LYS 42 HE2 LYS 42 -39.002 5.263 1.280 367 1HZ LYS 42 HZ1 LYS 42 -37.586 6.334 -0.789 368 2HZ LYS 42 HZ2 LYS 42 -38.942 7.349 -0.662 369 3HZ LYS 42 HZ3 LYS 42 -39.149 5.678 -0.875 370 H GLY 43 HN GLY 43 -32.947 4.443 -1.758 371 1HA GLY 43 HA1 GLY 43 -33.436 3.472 -3.842 372 2HA GLY 43 HA2 GLY 43 -35.107 3.353 -3.294 373 H ASN 44 HN ASN 44 -31.938 1.806 -2.859 374 HA ASN 44 HA ASN 44 -32.667 -0.771 -3.566 375 1HB ASN 44 HB1 ASN 44 -30.816 -1.483 -1.913 376 2HB ASN 44 HB2 ASN 44 -30.717 0.208 -1.430 377 1HD2 ASN 44 HD21 ASN 44 -28.558 -1.228 -2.737 378 2HD2 ASN 44 HD22 ASN 44 -28.295 -0.493 -4.244 379 H LEU 45 HN LEU 45 -33.191 0.857 -0.498 380 HA LEU 45 HA LEU 45 -33.989 -1.425 1.003 381 1HB LEU 45 HB1 LEU 45 -34.835 1.520 1.168 382 2HB LEU 45 HB2 LEU 45 -33.538 0.762 2.066 383 HG LEU 45 HG LEU 45 -35.332 0.902 3.623 384 1HD1 LEU 45 HD11 LEU 45 -37.411 -0.565 2.110 385 2HD1 LEU 45 HD12 LEU 45 -37.031 1.015 1.450 386 3HD1 LEU 45 HD13 LEU 45 -37.553 0.866 3.119 387 1HD2 LEU 45 HD21 LEU 45 -34.193 -1.371 3.381 388 2HD2 LEU 45 HD22 LEU 45 -35.635 -1.913 2.534 389 3HD2 LEU 45 HD23 LEU 45 -35.748 -1.377 4.204 390 H THR 46 HN THR 46 -35.918 0.920 -0.849 391 HA THR 46 HA THR 46 -38.439 -0.316 -0.409 392 HB THR 46 HB THR 46 -37.424 1.278 -2.843 393 HG1 THR 46 HG1 THR 46 -38.566 2.905 -1.575 394 1HG2 THR 46 HG21 THR 46 -40.187 0.440 -1.829 395 2HG2 THR 46 HG22 THR 46 -39.588 0.372 -3.483 396 3HG2 THR 46 HG23 THR 46 -39.990 1.923 -2.756 397 H LYS 47 HN LYS 47 -35.896 -0.964 -2.749 398 HA LYS 47 HA LYS 47 -37.424 -2.716 -4.426 399 1HB LYS 47 HB1 LYS 47 -35.104 -3.610 -5.044 400 2HB LYS 47 HB2 LYS 47 -34.437 -2.564 -3.797 401 1HG LYS 47 HG1 LYS 47 -34.319 -1.012 -5.464 402 2HG LYS 47 HG2 LYS 47 -36.044 -0.811 -5.171 403 1HD LYS 47 HD1 LYS 47 -36.503 -2.585 -6.872 404 2HD LYS 47 HD2 LYS 47 -34.778 -2.678 -7.204 405 1HE LYS 47 HE1 LYS 47 -35.701 -1.197 -8.856 406 2HE LYS 47 HE2 LYS 47 -34.855 -0.179 -7.697 407 1HZ LYS 47 HZ1 LYS 47 -37.188 0.495 -8.406 408 2HZ LYS 47 HZ2 LYS 47 -36.830 0.524 -6.746 409 3HZ LYS 47 HZ3 LYS 47 -37.731 -0.760 -7.399 410 H HIS 48 HN HIS 48 -35.465 -3.283 -1.530 411 HA HIS 48 HA HIS 48 -35.686 -6.148 -1.613 412 1HB HIS 48 HB1 HIS 48 -35.217 -4.191 0.692 413 2HB HIS 48 HB2 HIS 48 -33.992 -5.103 -0.184 414 HD1 HIS 48 HD1 HIS 48 -34.724 -7.840 -0.015 415 HD2 HIS 48 HD2 HIS 48 -35.774 -5.404 3.096 416 HE1 HIS 48 HE1 HIS 48 -35.115 -9.338 1.879 417 H MET 49 HN MET 49 -37.764 -3.610 -0.424 418 HA MET 49 HA MET 49 -39.473 -5.428 1.090 419 1HB MET 49 HB1 MET 49 -41.027 -3.331 1.000 420 2HB MET 49 HB2 MET 49 -39.695 -2.531 0.173 421 1HG MET 49 HG1 MET 49 -39.430 -2.031 2.480 422 2HG MET 49 HG2 MET 49 -38.210 -3.211 2.082 423 1HE MET 49 HE1 MET 49 -37.674 -4.414 4.672 424 2HE MET 49 HE2 MET 49 -38.808 -3.587 5.739 425 3HE MET 49 HE3 MET 49 -38.019 -2.701 4.434 426 H LYS 50 HN LYS 50 -39.411 -4.085 -2.144 427 HA LYS 50 HA LYS 50 -42.080 -4.673 -2.917 428 1HB LYS 50 HB1 LYS 50 -39.552 -4.866 -4.630 429 2HB LYS 50 HB2 LYS 50 -40.388 -3.359 -4.272 430 1HG LYS 50 HG1 LYS 50 -42.457 -4.290 -5.311 431 2HG LYS 50 HG2 LYS 50 -41.568 -5.752 -5.725 432 1HD LYS 50 HD1 LYS 50 -41.223 -4.600 -7.688 433 2HD LYS 50 HD2 LYS 50 -39.882 -3.926 -6.770 434 1HE LYS 50 HE1 LYS 50 -41.421 -2.072 -6.022 435 2HE LYS 50 HE2 LYS 50 -42.639 -2.707 -7.121 436 1HZ LYS 50 HZ1 LYS 50 -39.925 -2.003 -8.050 437 2HZ LYS 50 HZ2 LYS 50 -41.170 -0.849 -7.964 438 3HZ LYS 50 HZ3 LYS 50 -41.339 -2.208 -8.969 439 H SER 51 HN SER 51 -39.139 -6.656 -3.233 440 HA SER 51 HA SER 51 -40.150 -8.893 -4.507 441 1HB SER 51 HB1 SER 51 -38.467 -9.270 -2.002 442 2HB SER 51 HB2 SER 51 -37.774 -8.445 -3.412 443 HG SER 51 HG1 SER 51 -38.385 -11.071 -3.069 444 H LYS 52 HN LYS 52 -41.036 -10.893 -3.771 445 HA LYS 52 HA LYS 52 -43.220 -10.532 -1.923 446 1HB LYS 52 HB1 LYS 52 -43.309 -13.145 -2.221 447 2HB LYS 52 HB2 LYS 52 -42.011 -12.906 -3.385 448 1HG LYS 52 HG1 LYS 52 -43.444 -11.257 -4.596 449 2HG LYS 52 HG2 LYS 52 -44.751 -11.601 -3.469 450 1HD LYS 52 HD1 LYS 52 -45.309 -13.129 -5.104 451 2HD LYS 52 HD2 LYS 52 -44.174 -14.125 -4.200 452 1HE LYS 52 HE1 LYS 52 -42.343 -13.377 -5.710 453 2HE LYS 52 HE2 LYS 52 -43.504 -12.429 -6.629 454 1HZ LYS 52 HZ1 LYS 52 -44.084 -15.261 -6.214 455 2HZ LYS 52 HZ2 LYS 52 -42.858 -14.858 -7.318 456 3HZ LYS 52 HZ3 LYS 52 -44.432 -14.263 -7.543 457 H ALA 53 HN ALA 53 -40.142 -10.577 -1.148 458 HA ALA 53 HA ALA 53 -39.592 -12.603 0.667 459 1HB ALA 53 HB1 ALA 53 -37.988 -10.793 0.250 460 2HB ALA 53 HB2 ALA 53 -38.341 -10.799 1.975 461 3HB ALA 53 HB3 ALA 53 -39.089 -9.598 0.928 462 H HIS 54 HN HIS 54 -40.277 -9.618 2.313 463 HA HIS 54 HA HIS 54 -42.696 -10.747 3.558 464 1HB HIS 54 HB1 HIS 54 -41.239 -11.644 5.145 465 2HB HIS 54 HB2 HIS 54 -41.448 -10.041 5.837 466 HD1 HIS 54 HD1 HIS 54 -38.896 -12.208 4.594 467 HD2 HIS 54 HD2 HIS 54 -39.263 -8.157 5.007 468 HE1 HIS 54 HE1 HIS 54 -36.613 -11.333 4.510 469 H SER 55 HN SER 55 -43.741 -8.958 2.644 470 HA SER 55 HA SER 55 -43.666 -6.589 4.342 471 1HB SER 55 HB1 SER 55 -42.835 -6.409 1.391 472 2HB SER 55 HB2 SER 55 -41.821 -6.009 2.792 473 HG SER 55 HG1 SER 55 -44.355 -4.866 2.669 474 H LYS 56 HN LYS 56 -45.777 -8.026 4.256 475 HA LYS 56 HA LYS 56 -47.605 -7.929 2.146 476 1HB LYS 56 HB1 LYS 56 -49.370 -7.947 3.980 477 2HB LYS 56 HB2 LYS 56 -48.095 -7.626 5.148 478 1HG LYS 56 HG1 LYS 56 -46.941 -9.718 4.018 479 2HG LYS 56 HG2 LYS 56 -48.583 -10.099 3.511 480 1HD LYS 56 HD1 LYS 56 -47.696 -9.588 6.371 481 2HD LYS 56 HD2 LYS 56 -48.063 -11.166 5.682 482 1HE LYS 56 HE1 LYS 56 -50.365 -10.119 5.065 483 2HE LYS 56 HE2 LYS 56 -49.947 -8.873 6.233 484 1HZ LYS 56 HZ1 LYS 56 -51.013 -10.355 7.559 485 2HZ LYS 56 HZ2 LYS 56 -49.425 -10.940 7.714 486 3HZ LYS 56 HZ3 LYS 56 -50.515 -11.710 6.664 487 H LYS 57 HN LYS 57 -48.420 -5.868 4.857 488 HA LYS 57 HA LYS 57 -48.083 -3.383 3.492 489 1HB LYS 57 HB1 LYS 57 -50.915 -4.524 3.594 490 2HB LYS 57 HB2 LYS 57 -49.959 -4.351 2.127 491 1HG LYS 57 HG1 LYS 57 -49.765 -1.855 2.759 492 2HG LYS 57 HG2 LYS 57 -51.065 -2.167 3.903 493 1HD LYS 57 HD1 LYS 57 -51.162 -2.652 0.906 494 2HD LYS 57 HD2 LYS 57 -52.008 -1.378 1.779 495 1HE LYS 57 HE1 LYS 57 -53.682 -2.999 1.624 496 2HE LYS 57 HE2 LYS 57 -52.975 -3.394 3.186 497 1HZ LYS 57 HZ1 LYS 57 -53.316 -5.150 1.217 498 2HZ LYS 57 HZ2 LYS 57 -52.127 -5.301 2.420 499 3HZ LYS 57 LYS 57 -51.722 -4.657 0.902 Start of MODEL 5 Raw file had 499 H/Q atoms Start of MODEL 5 1 1H LYS 1 HT1 LYS 1 -7.472 -4.399 -9.954 2 2H LYS 1 HT2 LYS 1 -8.563 -4.470 -8.655 3 3H LYS 1 HT3 LYS 1 -7.499 -3.154 -8.799 4 HA LYS 1 HA LYS 1 -8.583 -2.342 -10.715 5 1HB LYS 1 HB1 LYS 1 -10.673 -4.515 -10.533 6 2HB LYS 1 HB2 LYS 1 -9.155 -4.892 -11.340 7 1HG LYS 1 HG1 LYS 1 -10.518 -2.324 -12.050 8 2HG LYS 1 HG2 LYS 1 -11.198 -3.819 -12.682 9 1HD LYS 1 HD1 LYS 1 -9.079 -4.417 -13.709 10 2HD LYS 1 HD2 LYS 1 -8.272 -3.056 -12.939 11 1HE LYS 1 HE1 LYS 1 -10.597 -2.751 -14.861 12 2HE LYS 1 HE2 LYS 1 -8.912 -2.659 -15.356 13 1HZ LYS 1 HZ1 LYS 1 -8.651 -0.868 -13.663 14 2HZ LYS 1 HZ2 LYS 1 -10.339 -0.874 -13.475 15 3HZ LYS 1 HZ3 LYS 1 -9.654 -0.470 -14.975 16 OH TYR 2 OH TYR 2 -7.623 2.519 -8.747 17 H TYR 2 HN TYR 2 -11.559 -2.732 -10.552 18 HA TYR 2 HA TYR 2 -12.082 -1.766 -7.790 19 1HB TYR 2 HB1 TYR 2 -13.301 0.213 -8.689 20 2HB TYR 2 HB2 TYR 2 -12.857 -0.254 -10.329 21 HD1 TYR 2 HD2 TYR 2 -11.442 0.780 -7.047 22 HD2 TYR 2 HD1 TYR 2 -10.711 0.309 -11.211 23 HE1 TYR 2 HE2 TYR 2 -9.328 2.001 -6.815 24 HE2 TYR 2 HE1 TYR 2 -8.590 1.515 -10.975 25 HH TYR 2 HH TYR 2 -7.409 2.912 -9.596 26 H ILE 3 HN ILE 3 -12.844 -4.207 -8.746 27 HA ILE 3 HA ILE 3 -15.764 -3.878 -9.325 28 HB ILE 3 HB ILE 3 -13.838 -6.196 -9.839 29 1HG1 ILE 3 HG11 ILE 3 -14.232 -3.953 -11.338 30 2HG1 ILE 3 HG12 ILE 3 -15.481 -5.000 -11.999 31 1HG2 ILE 3 HG21 ILE 3 -16.866 -5.919 -10.160 32 2HG2 ILE 3 HG22 ILE 3 -15.995 -7.170 -9.277 33 3HG2 ILE 3 HG23 ILE 3 -15.943 -7.136 -11.037 34 1HD1 ILE 3 HD1 ILE 3 -12.509 -5.569 -11.814 35 2HD1 ILE 3 HD2 ILE 3 -13.485 -5.433 -13.274 36 3HD1 ILE 3 HD3 ILE 3 -13.697 -6.810 -12.199 37 H CYS 4 HN CYS 4 -16.796 -3.927 -7.367 38 HA CYS 4 HA CYS 4 -15.856 -5.148 -5.032 39 1HB CYS 4 HB1 CYS 4 -18.674 -4.701 -6.027 40 2HB CYS 4 HB2 CYS 4 -17.792 -3.743 -4.873 41 H GLU 5 HN GLU 5 -15.366 -7.144 -4.620 42 HA GLU 5 HA GLU 5 -15.968 -9.334 -6.319 43 1HB GLU 5 HB1 GLU 5 -15.166 -10.697 -4.283 44 2HB GLU 5 HB2 GLU 5 -15.022 -9.164 -3.432 45 1HG GLU 5 HG1 GLU 5 -12.900 -9.193 -4.310 46 2HG GLU 5 HG2 GLU 5 -13.710 -8.553 -5.738 47 H GLU 6 HN GLU 6 -17.867 -7.847 -3.890 48 HA GLU 6 HA GLU 6 -19.462 -10.262 -3.444 49 1HB GLU 6 HB1 GLU 6 -20.121 -7.478 -2.432 50 2HB GLU 6 HB2 GLU 6 -18.872 -8.446 -1.661 51 1HG GLU 6 HG1 GLU 6 -20.532 -10.281 -1.340 52 2HG GLU 6 HG2 GLU 6 -21.776 -9.252 -2.045 53 H CYS 7 HN CYS 7 -20.426 -6.919 -4.191 54 HA CYS 7 HA CYS 7 -22.849 -7.854 -5.490 55 1HB CYS 7 HB1 CYS 7 -23.334 -5.552 -5.837 56 2HB CYS 7 HB2 CYS 7 -21.654 -5.105 -5.845 57 H GLY 8 HN GLY 8 -19.841 -6.349 -6.611 58 1HA GLY 8 HA1 GLY 8 -20.388 -7.492 -9.316 59 2HA GLY 8 HA2 GLY 8 -18.786 -7.125 -8.690 60 H ILE 9 HN ILE 9 -20.187 -4.573 -7.555 61 HA ILE 9 HA ILE 9 -20.987 -2.995 -9.760 62 HB ILE 9 HB ILE 9 -21.130 -2.517 -7.181 63 1HG1 ILE 9 HG11 ILE 9 -21.927 -0.997 -9.000 64 2HG1 ILE 9 HG12 ILE 9 -20.330 -0.266 -9.063 65 1HG2 ILE 9 HG21 ILE 9 -19.290 -1.259 -6.236 66 2HG2 ILE 9 HG22 ILE 9 -18.521 -1.035 -7.794 67 3HG2 ILE 9 HG23 ILE 9 -18.526 -2.617 -7.027 68 1HD1 ILE 9 HD1 ILE 9 -22.098 0.920 -7.603 69 2HD1 ILE 9 HD2 ILE 9 -20.533 0.618 -6.857 70 3HD1 ILE 9 HD3 ILE 9 -21.902 -0.423 -6.482 71 NH1 ARG 10 NH1 ARG 10 -18.292 -3.982 -17.241 72 NH2 ARG 10 NH2 ARG 10 -17.899 -1.998 -18.304 73 H ARG 10 HN ARG 10 -19.878 -2.103 -11.380 74 HA ARG 10 HA ARG 10 -16.900 -2.247 -11.245 75 1HB ARG 10 HB1 ARG 10 -18.586 -1.697 -13.718 76 2HB ARG 10 HB2 ARG 10 -18.313 -3.339 -13.146 77 1HG ARG 10 HG1 ARG 10 -15.826 -2.859 -13.215 78 2HG ARG 10 HG2 ARG 10 -16.204 -1.327 -13.994 79 1HD ARG 10 HD1 ARG 10 -17.122 -4.018 -15.054 80 2HD ARG 10 HD2 ARG 10 -15.662 -3.198 -15.607 81 HE ARG 10 HE ARG 10 -17.683 -1.296 -15.881 82 1HH1 ARG 10 HH11 ARG 10 -18.271 -4.521 -16.399 83 2HH1 ARG 10 HH12 ARG 10 -18.623 -4.395 -18.090 84 1HH2 ARG 10 HH21 ARG 10 -17.584 -1.051 -18.260 85 2HH2 ARG 10 HH22 ARG 10 -18.222 -2.378 -19.172 86 H ABA 11 HN ABU 11 -16.178 -0.392 -10.380 87 HA ABA 11 HA ABU 11 -17.186 2.173 -11.570 88 1HB ABA 11 HB1 ABU 11 -16.394 3.217 -9.455 89 2HB ABA 11 HB2 ABU 11 -15.845 1.662 -8.875 90 1HG ABA 11 HG1 ABU 11 -18.667 2.625 -9.299 91 2HG ABA 11 HG2 ABU 11 -17.970 1.851 -7.879 92 3HG ABA 11 HG3 ABU 11 -18.311 0.900 -9.322 93 H LYS 12 HN LYS 12 -15.823 2.814 -13.079 94 HA LYS 12 HA LYS 12 -13.094 2.054 -13.256 95 1HB LYS 12 HB1 LYS 12 -12.992 3.701 -15.079 96 2HB LYS 12 HB2 LYS 12 -14.444 4.498 -14.484 97 1HG LYS 12 HG1 LYS 12 -15.733 2.405 -14.879 98 2HG LYS 12 HG2 LYS 12 -14.280 1.643 -15.513 99 1HD LYS 12 HD1 LYS 12 -14.190 3.140 -17.375 100 2HD LYS 12 HD2 LYS 12 -15.370 4.227 -16.650 101 1HE LYS 12 HE1 LYS 12 -15.905 1.387 -17.586 102 2HE LYS 12 HE2 LYS 12 -16.434 2.855 -18.399 103 1HZ LYS 12 HZ1 LYS 12 -18.279 2.494 -17.205 104 2HZ LYS 12 HZ2 LYS 12 -17.410 3.266 -15.966 105 3HZ LYS 12 HZ3 LYS 12 -17.484 1.570 -16.022 106 H LYS 13 HN LYS 13 -14.232 3.779 -10.826 107 HA LYS 13 HA LYS 13 -11.725 5.345 -10.634 108 1HB LYS 13 HB1 LYS 13 -13.269 7.181 -9.532 109 2HB LYS 13 HB2 LYS 13 -14.568 6.351 -10.387 110 1HG LYS 13 HG1 LYS 13 -13.378 6.657 -12.524 111 2HG LYS 13 HG2 LYS 13 -12.043 7.438 -11.685 112 1HD LYS 13 HD1 LYS 13 -13.172 9.409 -11.475 113 2HD LYS 13 HD2 LYS 13 -14.684 8.604 -11.074 114 1HE LYS 13 HE1 LYS 13 -14.569 9.879 -13.329 115 2HE LYS 13 HE2 LYS 13 -15.237 8.251 -13.350 116 1HZ LYS 13 HZ1 LYS 13 -13.187 9.167 -14.883 117 2HZ LYS 13 HZ2 LYS 13 -13.597 7.537 -14.633 118 3HZ LYS 13 HZ3 LYS 13 -12.400 8.268 -13.677 119 HA PRO 14 HA PRO 14 -11.607 3.749 -6.492 120 1HB PRO 14 HB1 PRO 14 -9.572 4.672 -5.903 121 2HB PRO 14 HB2 PRO 14 -10.458 6.038 -5.225 122 1HG PRO 14 HG1 PRO 14 -8.720 6.142 -7.453 123 2HG PRO 14 HG2 PRO 14 -9.864 7.401 -6.984 124 1HD PRO 14 HD1 PRO 14 -10.990 6.969 -8.937 125 2HD PRO 14 HD2 PRO 14 -10.003 5.522 -9.225 126 H SER 15 HN SER 15 -12.002 7.252 -6.015 127 HA SER 15 HA SER 15 -13.517 7.433 -3.794 128 1HB SER 15 HB1 SER 15 -12.988 9.318 -5.489 129 2HB SER 15 HB2 SER 15 -14.603 9.430 -4.760 130 HG SER 15 HG1 SER 15 -15.418 9.058 -6.654 131 H MET 16 HN MET 16 -14.845 6.463 -6.928 132 HA MET 16 HA MET 16 -17.532 6.156 -5.932 133 1HB MET 16 HB1 MET 16 -17.644 4.632 -8.086 134 2HB MET 16 HB2 MET 16 -16.007 5.216 -8.377 135 1HG MET 16 HG1 MET 16 -16.793 7.530 -8.247 136 2HG MET 16 HG2 MET 16 -17.591 6.650 -9.523 137 1HE MET 16 HE1 MET 16 -19.955 6.730 -9.997 138 2HE MET 16 HE2 MET 16 -19.271 8.354 -9.968 139 3HE MET 16 HE3 MET 16 -20.865 8.056 -9.274 140 H LEU 17 HN LEU 17 -14.882 3.837 -6.552 141 HA LEU 17 HA LEU 17 -16.415 1.605 -5.522 142 1HB LEU 17 HB1 LEU 17 -13.379 1.730 -5.657 143 2HB LEU 17 HB2 LEU 17 -14.322 1.602 -7.123 144 HG LEU 17 HG LEU 17 -13.531 -0.627 -6.269 145 1HD1 LEU 17 HD11 LEU 17 -15.509 -0.294 -4.007 146 2HD1 LEU 17 HD12 LEU 17 -13.800 0.073 -3.820 147 3HD1 LEU 17 HD13 LEU 17 -14.311 -1.555 -4.233 148 1HD2 LEU 17 HD21 LEU 17 -16.534 -0.644 -5.997 149 2HD2 LEU 17 HD22 LEU 17 -15.483 -1.783 -6.821 150 3HD2 LEU 17 HD23 LEU 17 -15.799 -0.210 -7.527 151 H LYS 18 HN LYS 18 -13.502 3.269 -4.301 152 HA LYS 18 HA LYS 18 -13.176 2.216 -1.823 153 1HB LYS 18 HB1 LYS 18 -12.592 4.567 -1.018 154 2HB LYS 18 HB2 LYS 18 -13.264 5.191 -2.519 155 1HG LYS 18 HG1 LYS 18 -11.541 4.293 -3.820 156 2HG LYS 18 HG2 LYS 18 -11.192 3.018 -2.671 157 1HD LYS 18 HD1 LYS 18 -9.383 4.651 -2.610 158 2HD LYS 18 HD2 LYS 18 -10.272 4.732 -1.097 159 1HE LYS 18 HE1 LYS 18 -11.433 6.506 -3.105 160 2HE LYS 18 HE2 LYS 18 -9.736 6.875 -2.828 161 1HZ LYS 18 HZ1 LYS 18 -11.961 7.403 -1.173 162 2HZ LYS 18 HZ2 LYS 18 -10.350 7.910 -0.995 163 3HZ LYS 18 HZ3 LYS 18 -10.851 6.425 -0.339 164 H LYS 19 HN LYS 19 -15.662 4.639 -2.588 165 HA LYS 19 HA LYS 19 -16.726 4.638 0.072 166 1HB LYS 19 HB1 LYS 19 -18.798 5.604 -1.208 167 2HB LYS 19 HB2 LYS 19 -17.793 5.496 -2.648 168 1HG LYS 19 HG1 LYS 19 -16.162 7.009 -1.726 169 2HG LYS 19 HG2 LYS 19 -16.909 6.945 -0.132 170 1HD LYS 19 HD1 LYS 19 -18.803 8.182 -0.839 171 2HD LYS 19 HD2 LYS 19 -18.469 7.887 -2.541 172 1HE LYS 19 HE1 LYS 19 -16.288 9.256 -1.090 173 2HE LYS 19 HE2 LYS 19 -17.776 10.184 -1.207 174 1HZ LYS 19 HZ1 LYS 19 -16.497 8.877 -3.534 175 2HZ LYS 19 HZ2 LYS 19 -16.183 10.482 -3.077 176 3HZ LYS 19 HZ3 LYS 19 -17.750 10.022 -3.545 177 H HIS 20 HN HIS 20 -17.519 2.922 -2.900 178 HA HIS 20 HA HIS 20 -19.886 1.647 -1.990 179 1HB HIS 20 HB1 HIS 20 -17.758 0.647 -3.930 180 2HB HIS 20 HB2 HIS 20 -19.172 1.597 -4.376 181 HD1 HIS 20 HD1 HIS 20 -21.117 0.142 -4.935 182 HD2 HIS 20 HD2 HIS 20 -18.413 -1.905 -2.693 183 HE1 HIS 20 HE1 HIS 20 -21.984 -2.143 -4.793 184 H ILE 21 HN ILE 21 -16.526 0.416 -2.039 185 HA ILE 21 HA ILE 21 -17.131 -2.026 -0.751 186 HB ILE 21 HB ILE 21 -14.836 -1.016 -1.776 187 1HG1 ILE 21 HG11 ILE 21 -15.019 -3.047 0.484 188 2HG1 ILE 21 HG12 ILE 21 -13.603 -2.833 -0.536 189 1HG2 ILE 21 HG21 ILE 21 -13.269 -0.326 -0.081 190 2HG2 ILE 21 HG22 ILE 21 -14.309 -0.872 1.229 191 3HG2 ILE 21 HG23 ILE 21 -14.728 0.557 0.304 192 1HD1 ILE 21 HD1 ILE 21 -16.075 -4.267 -1.106 193 2HD1 ILE 21 HD2 ILE 21 -14.548 -4.297 -1.984 194 3HD1 ILE 21 HD3 ILE 21 -15.748 -3.061 -2.345 195 NH1 ARG 22 NH2 ARG 22 -16.321 6.504 3.957 196 NH2 ARG 22 NH1 ARG 22 -14.505 6.326 5.332 197 H ARG 22 HN ARG 22 -16.748 1.196 0.536 198 HA ARG 22 HA ARG 22 -16.609 0.298 3.317 199 1HB ARG 22 HB1 ARG 22 -17.250 2.830 3.655 200 2HB ARG 22 HB2 ARG 22 -17.046 2.962 1.913 201 1HG ARG 22 HG1 ARG 22 -14.752 2.042 2.121 202 2HG ARG 22 HG2 ARG 22 -14.958 1.941 3.866 203 1HD ARG 22 HD1 ARG 22 -15.203 4.514 2.270 204 2HD ARG 22 HD2 ARG 22 -13.750 4.022 3.137 205 HE ARG 22 HE ARG 22 -15.754 3.898 5.056 206 1HH1 ARG 22 HH21 ARG 22 -16.998 6.058 3.368 207 2HH1 ARG 22 HH22 ARG 22 -16.348 7.494 4.086 208 1HH2 ARG 22 HH11 ARG 22 -13.819 5.748 5.773 209 2HH2 ARG 22 HH12 ARG 22 -14.500 7.315 5.485 210 H THR 23 HN THR 23 -19.108 0.703 1.018 211 HA THR 23 HA THR 23 -21.207 1.300 2.926 212 HB THR 23 HB THR 23 -21.377 0.025 0.124 213 HG1 THR 23 HG1 THR 23 -21.064 2.569 1.221 214 1HG2 THR 23 HG21 THR 23 -23.636 1.505 0.417 215 2HG2 THR 23 HG22 THR 23 -23.388 1.123 2.117 216 3HG2 THR 23 HG23 THR 23 -23.606 -0.172 0.947 217 H HIS 24 HN HIS 24 -19.390 -1.482 2.357 218 HA HIS 24 HA HIS 24 -21.587 -3.335 3.090 219 1HB HIS 24 HB1 HIS 24 -19.554 -5.006 3.056 220 2HB HIS 24 HB2 HIS 24 -18.646 -3.666 2.364 221 HD1 HIS 24 HD1 HIS 24 -21.799 -5.552 1.578 222 HD2 HIS 24 HD2 HIS 24 -18.915 -3.405 -0.348 223 HE1 HIS 24 HE1 HIS 24 -22.286 -5.792 -0.831 224 H THR 25 HN THR 25 -19.972 -1.192 4.816 225 HA THR 25 HA THR 25 -19.230 -3.002 7.049 226 HB THR 25 HB THR 25 -18.430 -0.709 8.025 227 HG1 THR 25 HG1 THR 25 -18.303 0.572 5.811 228 1HG2 THR 25 HG21 THR 25 -17.340 -1.132 5.221 229 2HG2 THR 25 HG22 THR 25 -16.999 -2.330 6.465 230 3HG2 THR 25 HG23 THR 25 -16.445 -0.671 6.664 231 H ASP 26 HN ASP 26 -20.246 0.185 7.747 232 HA ASP 26 HA ASP 26 -22.984 -0.548 8.437 233 1HB ASP 26 HB1 ASP 26 -22.688 -0.149 10.877 234 2HB ASP 26 HB2 ASP 26 -20.969 0.151 10.632 235 H VAL 27 HN VAL 27 -21.473 1.372 6.886 236 HA VAL 27 HA VAL 27 -22.158 3.924 8.247 237 HB VAL 27 HB VAL 27 -19.881 3.714 7.327 238 1HG1 VAL 27 HG11 VAL 27 -19.525 3.343 4.913 239 2HG1 VAL 27 HG12 VAL 27 -21.261 3.166 4.686 240 3HG1 VAL 27 HG13 VAL 27 -20.375 1.989 5.642 241 1HG2 VAL 27 HG21 VAL 27 -19.890 5.858 6.575 242 2HG2 VAL 27 HG22 VAL 27 -21.640 5.794 6.763 243 3HG2 VAL 27 HG23 VAL 27 -20.910 5.447 5.199 244 NH1 ARG 28 NH1 ARG 28 -26.285 -2.298 2.870 245 NH2 ARG 28 NH2 ARG 28 -25.738 -1.624 0.756 246 H ARG 28 HN ARG 28 -24.321 2.483 7.458 247 HA ARG 28 HA ARG 28 -25.318 3.921 5.029 248 1HB ARG 28 HB1 ARG 28 -26.968 1.933 4.986 249 2HB ARG 28 HB2 ARG 28 -25.936 1.187 6.199 250 1HG ARG 28 HG1 ARG 28 -23.994 1.524 4.604 251 2HG ARG 28 HG2 ARG 28 -25.168 1.986 3.384 252 1HD ARG 28 HD1 ARG 28 -26.200 -0.380 4.472 253 2HD ARG 28 HD2 ARG 28 -24.468 -0.677 4.336 254 HE ARG 28 HE ARG 28 -25.243 0.493 1.900 255 1HH1 ARG 28 HH11 ARG 28 -26.336 -2.094 3.847 256 2HH1 ARG 28 HH12 ARG 28 -26.587 -3.188 2.528 257 1HH2 ARG 28 HH21 ARG 28 -25.380 -0.913 0.150 258 2HH2 ARG 28 HH22 ARG 28 -26.033 -2.502 0.379 259 HA PRO 29 HA PRO 29 -27.719 5.421 8.706 260 1HB PRO 29 HB1 PRO 29 -27.195 7.652 8.715 261 2HB PRO 29 HB2 PRO 29 -28.161 7.901 7.261 262 1HG PRO 29 HG1 PRO 29 -25.258 7.808 7.495 263 2HG PRO 29 HG2 PRO 29 -26.223 8.186 6.068 264 1HD PRO 29 HD1 PRO 29 -25.857 6.114 5.201 265 2HD PRO 29 HD2 PRO 29 -24.728 5.800 6.531 266 OH TYR 30 OH TYR 30 -28.985 10.607 2.511 267 H TYR 30 HN TYR 30 -28.463 5.095 5.350 268 HA TYR 30 HA TYR 30 -31.290 5.846 5.723 269 1HB TYR 30 HB1 TYR 30 -31.480 5.073 3.320 270 2HB TYR 30 HB2 TYR 30 -29.794 4.586 3.373 271 HD1 TYR 30 HD1 TYR 30 -31.940 7.567 4.100 272 HD2 TYR 30 HD2 TYR 30 -28.176 6.159 2.705 273 HE1 TYR 30 HE1 TYR 30 -31.283 9.861 3.547 274 HE2 TYR 30 HE2 TYR 30 -27.516 8.455 2.164 275 HH TYR 30 HH TYR 30 -29.733 11.037 2.093 276 H HIS 31 HN HIS 31 -31.935 4.337 7.330 277 HA HIS 31 HA HIS 31 -31.841 1.462 6.595 278 1HB HIS 31 HB1 HIS 31 -32.585 1.076 8.898 279 2HB HIS 31 HB2 HIS 31 -33.010 2.774 9.095 280 HD1 HIS 31 HD1 HIS 31 -30.068 0.602 8.925 281 HD2 HIS 31 HD2 HIS 31 -30.868 4.521 9.596 282 HE1 HIS 31 HE1 HIS 31 -27.984 1.530 9.753 283 H CYS 32 HN CYS 32 -33.642 0.216 6.183 284 HA CYS 32 HA CYS 32 -35.922 1.493 5.036 285 1HB CYS 32 HB1 CYS 32 -35.264 -1.314 5.952 286 2HB CYS 32 HB2 CYS 32 -35.485 -0.732 4.324 287 H THR 33 HN THR 33 -38.110 1.516 5.785 288 HA THR 33 HA THR 33 -38.269 2.098 8.655 289 HB THR 33 HB THR 33 -40.539 2.064 6.576 290 HG1 THR 33 HG1 THR 33 -39.355 4.420 7.282 291 1HG2 THR 33 HG21 THR 33 -41.281 4.021 8.100 292 2HG2 THR 33 HG22 THR 33 -40.029 3.521 9.232 293 3HG2 THR 33 HG23 THR 33 -41.378 2.446 8.878 294 OH TYR 34 OH TYR 34 -44.433 0.879 5.772 295 H TYR 34 HN TYR 34 -38.023 -0.701 7.318 296 HA TYR 34 HA TYR 34 -39.927 -1.986 9.199 297 1HB TYR 34 HB1 TYR 34 -40.620 -3.614 7.449 298 2HB TYR 34 HB2 TYR 34 -39.580 -2.823 6.274 299 HD1 TYR 34 HD2 TYR 34 -40.105 -0.435 5.589 300 HD2 TYR 34 HD1 TYR 34 -42.801 -2.751 7.926 301 HE1 TYR 34 HE2 TYR 34 -41.937 1.079 4.980 302 HE2 TYR 34 HE1 TYR 34 -44.629 -1.237 7.314 303 HH TYR 34 HH TYR 34 -44.488 1.560 6.447 304 H CYS 35 HN CYS 35 -37.679 -3.007 6.642 305 HA CYS 35 HA CYS 35 -36.662 -5.241 8.112 306 1HB CYS 35 HB1 CYS 35 -34.917 -5.303 6.404 307 2HB CYS 35 HB2 CYS 35 -35.200 -3.642 5.984 308 H ASN 36 HN ASN 36 -33.989 -5.131 7.941 309 HA ASN 36 HA ASN 36 -33.222 -2.978 9.870 310 1HB ASN 36 HB1 ASN 36 -32.004 -5.775 9.690 311 2HB ASN 36 HB2 ASN 36 -33.364 -5.418 10.752 312 1HD2 ASN 36 HD21 ASN 36 -31.544 -2.615 10.522 313 2HD2 ASN 36 HD22 ASN 36 -30.571 -2.812 11.900 314 H PHE 37 HN PHE 37 -32.965 -3.886 6.809 315 HA PHE 37 HA PHE 37 -30.068 -3.692 6.444 316 1HB PHE 37 HB1 PHE 37 -32.059 -3.318 4.202 317 2HB PHE 37 HB2 PHE 37 -31.950 -4.903 4.965 318 HD1 PHE 37 HD2 PHE 37 -29.645 -6.017 5.096 319 HD2 PHE 37 HD1 PHE 37 -30.405 -2.613 2.654 320 HE1 PHE 37 HE2 PHE 37 -27.619 -6.497 3.793 321 HE2 PHE 37 HE1 PHE 37 -28.376 -3.095 1.355 322 HZ PHE 37 HZ PHE 37 -26.982 -5.037 1.925 323 H SER 38 HN SER 38 -29.239 -2.037 4.852 324 HA SER 38 HA SER 38 -30.734 0.474 4.797 325 1HB SER 38 HB1 SER 38 -28.057 0.314 6.264 326 2HB SER 38 HB2 SER 38 -29.626 0.424 7.077 327 HG SER 38 HG1 SER 38 -29.132 2.504 6.781 328 H PHE 39 HN PHE 39 -29.366 2.231 3.774 329 HA PHE 39 HA PHE 39 -27.379 1.073 1.879 330 1HB PHE 39 HB1 PHE 39 -28.528 2.079 0.022 331 2HB PHE 39 HB2 PHE 39 -29.506 3.092 1.087 332 HD1 PHE 39 HD2 PHE 39 -31.206 1.979 2.605 333 HD2 PHE 39 HD1 PHE 39 -29.241 -0.152 -0.519 334 HE1 PHE 39 HE2 PHE 39 -32.868 0.183 2.784 335 HE2 PHE 39 HE1 PHE 39 -30.914 -1.943 -0.338 336 HZ PHE 39 HZ PHE 39 -32.721 -1.781 1.321 337 H LYS 40 HN LYS 40 -25.965 2.639 0.930 338 HA LYS 40 HA LYS 40 -25.241 4.735 2.831 339 1HB LYS 40 HB1 LYS 40 -24.107 3.811 0.149 340 2HB LYS 40 HB2 LYS 40 -23.476 3.435 1.738 341 1HG LYS 40 HG1 LYS 40 -23.513 6.191 0.447 342 2HG LYS 40 HG2 LYS 40 -22.102 5.182 0.709 343 1HD LYS 40 HD1 LYS 40 -22.978 5.221 3.226 344 2HD LYS 40 HD2 LYS 40 -23.699 6.736 2.701 345 1HE LYS 40 HE1 LYS 40 -20.775 5.961 2.672 346 2HE LYS 40 HE2 LYS 40 -21.525 7.313 3.509 347 1HZ LYS 40 HZ1 LYS 40 -21.808 8.482 1.556 348 2HZ LYS 40 HZ2 LYS 40 -21.662 7.103 0.575 349 3HZ LYS 40 HZ3 LYS 40 -20.290 7.753 1.333 350 H THR 41 HN THR 41 -27.189 4.538 0.036 351 HA THR 41 HA THR 41 -27.187 7.529 -0.159 352 HB THR 41 HB THR 41 -27.447 7.346 -2.571 353 HG1 THR 41 HG1 THR 41 -28.775 5.775 -3.036 354 1HG2 THR 41 HG21 THR 41 -25.134 6.480 -1.658 355 2HG2 THR 41 HG22 THR 41 -25.574 5.941 -3.276 356 3HG2 THR 41 HG23 THR 41 -25.784 4.860 -1.900 357 H LYS 42 HN LYS 42 -29.172 8.497 -0.783 358 HA LYS 42 HA LYS 42 -31.440 7.254 0.499 359 1HB LYS 42 HB1 LYS 42 -31.539 9.721 -1.270 360 2HB LYS 42 HB2 LYS 42 -30.818 9.796 0.334 361 1HG LYS 42 HG1 LYS 42 -32.841 9.482 1.410 362 2HG LYS 42 HG2 LYS 42 -33.504 8.505 0.105 363 1HD LYS 42 HD1 LYS 42 -34.621 10.710 0.212 364 2HD LYS 42 HD2 LYS 42 -33.736 10.529 -1.298 365 1HE LYS 42 HE1 LYS 42 -31.944 11.911 -0.529 366 2HE LYS 42 HE2 LYS 42 -32.500 11.833 1.138 367 1HZ LYS 42 HZ1 LYS 42 -33.752 13.266 -1.127 368 2HZ LYS 42 HZ2 LYS 42 -33.141 13.919 0.317 369 3HZ LYS 42 HZ3 LYS 42 -34.561 12.987 0.340 370 H GLY 43 HN GLY 43 -30.162 7.256 -2.651 371 1HA GLY 43 HA1 GLY 43 -31.028 6.504 -4.706 372 2HA GLY 43 HA2 GLY 43 -32.629 6.951 -4.123 373 H ASN 44 HN ASN 44 -30.115 4.490 -3.599 374 HA ASN 44 HA ASN 44 -31.596 2.244 -4.230 375 1HB ASN 44 HB1 ASN 44 -30.139 1.131 -2.327 376 2HB ASN 44 HB2 ASN 44 -29.437 2.737 -2.149 377 1HD2 ASN 44 HD21 ASN 44 -27.591 2.995 -3.380 378 2HD2 ASN 44 HD22 ASN 44 -27.289 2.243 -4.871 379 H LEU 45 HN LEU 45 -31.739 4.147 -1.298 380 HA LEU 45 HA LEU 45 -33.213 2.309 0.294 381 1HB LEU 45 HB1 LEU 45 -33.196 5.375 0.222 382 2HB LEU 45 HB2 LEU 45 -32.191 4.359 1.229 383 HG LEU 45 HG LEU 45 -33.912 5.095 2.692 384 1HD1 LEU 45 HD11 LEU 45 -35.439 5.566 0.448 385 2HD1 LEU 45 HD12 LEU 45 -36.041 5.653 2.094 386 3HD1 LEU 45 HD13 LEU 45 -36.275 4.194 1.147 387 1HD2 LEU 45 HD21 LEU 45 -34.988 3.077 3.378 388 2HD2 LEU 45 HD22 LEU 45 -33.479 2.577 2.624 389 3HD2 LEU 45 HD23 LEU 45 -34.994 2.423 1.747 390 H THR 46 HN THR 46 -34.343 4.990 -1.754 391 HA THR 46 HA THR 46 -37.126 4.465 -1.390 392 HB THR 46 HB THR 46 -35.687 5.711 -3.814 393 HG1 THR 46 HG1 THR 46 -35.482 6.434 -1.456 394 1HG2 THR 46 HG21 THR 46 -38.061 5.438 -4.360 395 2HG2 THR 46 HG22 THR 46 -37.923 7.080 -3.741 396 3HG2 THR 46 HG23 THR 46 -38.546 5.799 -2.707 397 H LYS 47 HN LYS 47 -34.739 3.164 -3.610 398 HA LYS 47 HA LYS 47 -36.573 1.884 -5.394 399 1HB LYS 47 HB1 LYS 47 -33.939 0.575 -4.755 400 2HB LYS 47 HB2 LYS 47 -33.880 2.220 -5.380 401 1HG LYS 47 HG1 LYS 47 -35.646 0.224 -6.761 402 2HG LYS 47 HG2 LYS 47 -33.910 0.149 -7.042 403 1HD LYS 47 HD1 LYS 47 -33.854 2.407 -7.860 404 2HD LYS 47 HD2 LYS 47 -35.492 2.721 -7.298 405 1HE LYS 47 HE1 LYS 47 -35.526 2.318 -9.714 406 2HE LYS 47 HE2 LYS 47 -36.336 0.992 -8.889 407 1HZ LYS 47 HZ1 LYS 47 -33.478 0.900 -9.649 408 2HZ LYS 47 HZ2 LYS 47 -34.722 0.345 -10.663 409 3HZ LYS 47 HZ3 LYS 47 -34.468 -0.387 -9.151 410 H HIS 48 HN HIS 48 -35.247 0.948 -2.284 411 HA HIS 48 HA HIS 48 -36.192 -1.801 -2.484 412 1HB HIS 48 HB1 HIS 48 -35.149 -0.065 -0.204 413 2HB HIS 48 HB2 HIS 48 -34.338 -1.418 -0.986 414 HD1 HIS 48 HD1 HIS 48 -35.751 -3.739 -0.594 415 HD2 HIS 48 HD2 HIS 48 -36.472 -0.762 2.113 416 HE1 HIS 48 HE1 HIS 48 -36.765 -4.848 1.337 417 H MET 49 HN MET 49 -37.424 1.218 -1.187 418 HA MET 49 HA MET 49 -39.634 -0.006 0.235 419 1HB MET 49 HB1 MET 49 -40.523 2.390 0.213 420 2HB MET 49 HB2 MET 49 -39.149 2.833 -0.794 421 1HG MET 49 HG1 MET 49 -37.595 2.154 0.921 422 2HG MET 49 HG2 MET 49 -38.876 1.474 1.889 423 1HE MET 49 HE1 MET 49 -39.649 2.773 4.101 424 2HE MET 49 HE2 MET 49 -40.765 2.686 2.739 425 3HE MET 49 HE3 MET 49 -40.585 4.193 3.638 426 H LYS 50 HN LYS 50 -39.133 1.206 -3.014 427 HA LYS 50 HA LYS 50 -41.866 1.326 -3.821 428 1HB LYS 50 HB1 LYS 50 -39.702 0.404 -5.722 429 2HB LYS 50 HB2 LYS 50 -39.577 2.018 -5.031 430 1HG LYS 50 HG1 LYS 50 -41.885 2.514 -5.835 431 2HG LYS 50 HG2 LYS 50 -41.951 0.919 -6.576 432 1HD LYS 50 HD1 LYS 50 -41.194 2.130 -8.396 433 2HD LYS 50 HD2 LYS 50 -39.643 1.748 -7.657 434 1HE LYS 50 HE1 LYS 50 -39.759 4.149 -8.176 435 2HE LYS 50 HE2 LYS 50 -39.709 3.911 -6.434 436 1HZ LYS 50 HZ1 LYS 50 -41.620 5.272 -7.901 437 2HZ LYS 50 HZ2 LYS 50 -41.636 4.937 -6.236 438 3HZ LYS 50 HZ3 LYS 50 -42.382 3.867 -7.324 439 H SER 51 HN SER 51 -39.517 -1.324 -3.874 440 HA SER 51 HA SER 51 -40.869 -3.258 -5.320 441 1HB SER 51 HB1 SER 51 -39.303 -3.492 -2.700 442 2HB SER 51 HB2 SER 51 -38.739 -3.870 -4.340 443 HG SER 51 HG1 SER 51 -40.883 -5.247 -4.129 444 H LYS 52 HN LYS 52 -42.303 -4.981 -4.720 445 HA LYS 52 HA LYS 52 -44.565 -4.027 -3.183 446 1HB LYS 52 HB1 LYS 52 -44.848 -5.536 -5.134 447 2HB LYS 52 HB2 LYS 52 -45.490 -6.313 -3.692 448 1HG LYS 52 HG1 LYS 52 -43.456 -7.629 -3.432 449 2HG LYS 52 HG2 LYS 52 -42.679 -6.757 -4.748 450 1HD LYS 52 HD1 LYS 52 -43.533 -8.933 -5.542 451 2HD LYS 52 HD2 LYS 52 -44.392 -7.610 -6.324 452 1HE LYS 52 HE1 LYS 52 -45.497 -8.722 -3.764 453 2HE LYS 52 HE2 LYS 52 -45.728 -9.639 -5.246 454 1HZ LYS 52 HZ1 LYS 52 -47.476 -8.327 -5.549 455 2HZ LYS 52 HZ2 LYS 52 -46.365 -7.120 -5.986 456 3HZ LYS 52 HZ3 LYS 52 -46.959 -7.191 -4.397 457 H ALA 53 HN ALA 53 -41.713 -5.006 -2.076 458 HA ALA 53 HA ALA 53 -42.048 -7.073 -0.252 459 1HB ALA 53 HB1 ALA 53 -40.637 -4.388 0.146 460 2HB ALA 53 HB2 ALA 53 -39.912 -5.865 -0.479 461 3HB ALA 53 HB3 ALA 53 -40.413 -5.777 1.205 462 H HIS 54 HN HIS 54 -42.008 -3.888 1.215 463 HA HIS 54 HA HIS 54 -44.700 -4.349 2.352 464 1HB HIS 54 HB1 HIS 54 -43.560 -5.236 4.171 465 2HB HIS 54 HB2 HIS 54 -43.435 -3.535 4.602 466 HD1 HIS 54 HD1 HIS 54 -41.410 -6.352 3.536 467 HD2 HIS 54 HD2 HIS 54 -40.824 -2.338 4.042 468 HE1 HIS 54 HE1 HIS 54 -38.987 -6.048 3.586 469 H SER 55 HN SER 55 -45.303 -2.579 1.084 470 HA SER 55 HA SER 55 -44.783 -0.007 2.425 471 1HB SER 55 HB1 SER 55 -43.079 0.266 0.777 472 2HB SER 55 HB2 SER 55 -44.477 0.910 -0.105 473 HG SER 55 HG1 SER 55 -43.260 -1.618 -0.264 474 H LYS 56 HN LYS 56 -46.485 -1.868 -0.018 475 HA LYS 56 HA LYS 56 -48.885 -0.165 0.471 476 1HB LYS 56 HB1 LYS 56 -49.361 -0.566 -2.070 477 2HB LYS 56 HB2 LYS 56 -47.663 -1.007 -2.191 478 1HG LYS 56 HG1 LYS 56 -47.361 1.292 -0.851 479 2HG LYS 56 HG2 LYS 56 -48.896 1.658 -1.627 480 1HD LYS 56 HD1 LYS 56 -47.744 0.791 -3.800 481 2HD LYS 56 HD2 LYS 56 -46.242 1.023 -2.913 482 1HE LYS 56 HE1 LYS 56 -48.242 3.066 -3.822 483 2HE LYS 56 HE2 LYS 56 -46.485 3.120 -3.899 484 1HZ LYS 56 HZ1 LYS 56 -47.674 4.572 -2.192 485 2HZ LYS 56 HZ2 LYS 56 -46.319 3.687 -1.680 486 3HZ LYS 56 HZ3 LYS 56 -47.881 3.140 -1.305 487 H LYS 57 HN LYS 57 -48.372 -2.604 1.695 488 HA LYS 57 HA LYS 57 -49.330 -4.902 0.405 489 1HB LYS 57 HB1 LYS 57 -48.363 -5.034 2.647 490 2HB LYS 57 HB2 LYS 57 -50.020 -5.614 2.762 491 1HG LYS 57 HG1 LYS 57 -50.728 -3.313 3.466 492 2HG LYS 57 HG2 LYS 57 -49.036 -2.827 3.463 493 1HD LYS 57 HD1 LYS 57 -48.495 -4.355 5.227 494 2HD LYS 57 HD2 LYS 57 -50.035 -5.193 5.069 495 1HE LYS 57 HE1 LYS 57 -51.236 -3.199 5.839 496 2HE LYS 57 HE2 LYS 57 -49.731 -2.292 5.909 497 1HZ LYS 57 HZ1 LYS 57 -50.592 -3.260 8.058 498 2HZ LYS 57 HZ2 LYS 57 -48.963 -3.564 7.687 499 3HZ LYS 57 LYS 57 -50.127 -4.778 7.455 Start of MODEL 6 Raw file had 499 H/Q atoms Start of MODEL 6 1 1H LYS 1 HT1 LYS 1 -8.655 -5.011 -11.041 2 2H LYS 1 HT2 LYS 1 -10.335 -4.827 -10.868 3 3H LYS 1 HT3 LYS 1 -9.329 -4.775 -9.500 4 HA LYS 1 HA LYS 1 -8.241 -2.779 -10.414 5 1HB LYS 1 HB1 LYS 1 -8.778 -2.080 -12.526 6 2HB LYS 1 HB2 LYS 1 -10.493 -2.065 -12.134 7 1HG LYS 1 HG1 LYS 1 -10.662 -4.461 -12.601 8 2HG LYS 1 HG2 LYS 1 -8.925 -4.560 -12.872 9 1HD LYS 1 HD1 LYS 1 -9.071 -3.169 -14.832 10 2HD LYS 1 HD2 LYS 1 -10.744 -2.747 -14.483 11 1HE LYS 1 HE1 LYS 1 -10.459 -4.530 -16.264 12 2HE LYS 1 HE2 LYS 1 -11.483 -5.003 -14.914 13 1HZ LYS 1 HZ1 LYS 1 -8.689 -5.794 -15.452 14 2HZ LYS 1 HZ2 LYS 1 -10.053 -6.789 -15.265 15 3HZ LYS 1 HZ3 LYS 1 -9.397 -5.984 -13.921 16 OH TYR 2 OH TYR 2 -7.680 2.404 -9.121 17 H TYR 2 HN TYR 2 -11.789 -3.012 -10.746 18 HA TYR 2 HA TYR 2 -12.144 -1.841 -8.081 19 1HB TYR 2 HB1 TYR 2 -13.374 0.154 -8.954 20 2HB TYR 2 HB2 TYR 2 -12.966 -0.321 -10.602 21 HD1 TYR 2 HD2 TYR 2 -11.494 0.720 -7.353 22 HD2 TYR 2 HD1 TYR 2 -10.817 0.188 -11.516 23 HE1 TYR 2 HE2 TYR 2 -9.365 1.925 -7.161 24 HE2 TYR 2 HE1 TYR 2 -8.684 1.381 -11.323 25 HH TYR 2 HH TYR 2 -7.771 3.245 -9.576 26 H ILE 3 HN ILE 3 -12.992 -4.261 -9.025 27 HA ILE 3 HA ILE 3 -15.928 -3.867 -9.441 28 HB ILE 3 HB ILE 3 -13.978 -6.040 -10.283 29 1HG1 ILE 3 HG11 ILE 3 -14.810 -3.905 -11.648 30 2HG1 ILE 3 HG12 ILE 3 -16.199 -4.937 -11.965 31 1HG2 ILE 3 HG21 ILE 3 -16.974 -6.182 -9.805 32 2HG2 ILE 3 HG22 ILE 3 -15.747 -7.389 -9.435 33 3HG2 ILE 3 HG23 ILE 3 -16.261 -7.138 -11.100 34 1HD1 ILE 3 HD1 ILE 3 -14.560 -5.305 -13.727 35 2HD1 ILE 3 HD2 ILE 3 -14.602 -6.742 -12.710 36 3HD1 ILE 3 HD3 ILE 3 -13.288 -5.582 -12.541 37 H CYS 4 HN CYS 4 -16.817 -3.959 -7.399 38 HA CYS 4 HA CYS 4 -15.739 -5.334 -5.207 39 1HB CYS 4 HB1 CYS 4 -18.646 -4.810 -5.894 40 2HB CYS 4 HB2 CYS 4 -17.621 -3.820 -4.894 41 H GLU 5 HN GLU 5 -15.128 -7.351 -5.217 42 HA GLU 5 HA GLU 5 -16.126 -9.404 -6.867 43 1HB GLU 5 HB1 GLU 5 -14.948 -10.941 -5.294 44 2HB GLU 5 HB2 GLU 5 -14.849 -9.650 -4.103 45 1HG GLU 5 HG1 GLU 5 -12.725 -9.806 -5.329 46 2HG GLU 5 HG2 GLU 5 -13.526 -8.289 -5.728 47 H GLU 6 HN GLU 6 -17.487 -8.053 -4.016 48 HA GLU 6 HA GLU 6 -19.070 -10.405 -3.387 49 1HB GLU 6 HB1 GLU 6 -19.711 -7.652 -2.347 50 2HB GLU 6 HB2 GLU 6 -18.205 -8.400 -1.839 51 1HG GLU 6 HG1 GLU 6 -20.019 -8.939 -0.248 52 2HG GLU 6 HG2 GLU 6 -19.459 -10.396 -1.066 53 H CYS 7 HN CYS 7 -20.029 -7.065 -4.188 54 HA CYS 7 HA CYS 7 -22.626 -8.029 -5.145 55 1HB CYS 7 HB1 CYS 7 -23.139 -5.703 -5.469 56 2HB CYS 7 HB2 CYS 7 -21.459 -5.262 -5.545 57 H GLY 8 HN GLY 8 -19.923 -6.244 -6.590 58 1HA GLY 8 HA1 GLY 8 -20.693 -7.393 -9.245 59 2HA GLY 8 HA2 GLY 8 -19.023 -7.109 -8.765 60 H ILE 9 HN ILE 9 -20.247 -4.584 -7.390 61 HA ILE 9 HA ILE 9 -21.195 -2.859 -9.414 62 HB ILE 9 HB ILE 9 -21.050 -2.529 -6.815 63 1HG1 ILE 9 HG11 ILE 9 -20.740 -0.491 -8.976 64 2HG1 ILE 9 HG12 ILE 9 -20.589 0.060 -7.311 65 1HG2 ILE 9 HG21 ILE 9 -18.452 -1.123 -7.606 66 2HG2 ILE 9 HG22 ILE 9 -18.452 -2.754 -6.944 67 3HG2 ILE 9 HG23 ILE 9 -19.068 -1.422 -5.993 68 1HD1 ILE 9 HD1 ILE 9 -22.909 -1.600 -8.354 69 2HD1 ILE 9 HD2 ILE 9 -22.951 0.149 -8.164 70 3HD1 ILE 9 HD3 ILE 9 -22.769 -0.886 -6.751 71 NH1 ARG 10 NH2 ARG 10 -20.026 -3.389 -16.047 72 NH2 ARG 10 NH1 ARG 10 -20.336 -1.125 -15.998 73 H ARG 10 HN ARG 10 -20.216 -1.866 -11.074 74 HA ARG 10 HA ARG 10 -17.245 -2.125 -11.252 75 1HB ARG 10 HB1 ARG 10 -19.130 -1.409 -13.528 76 2HB ARG 10 HB2 ARG 10 -18.892 -3.082 -13.048 77 1HG ARG 10 HG1 ARG 10 -16.382 -2.683 -13.318 78 2HG ARG 10 HG2 ARG 10 -16.792 -1.138 -14.056 79 1HD ARG 10 HD1 ARG 10 -17.878 -3.799 -15.029 80 2HD ARG 10 HD2 ARG 10 -16.453 -3.022 -15.711 81 HE ARG 10 HE ARG 10 -17.869 -1.299 -16.622 82 1HH1 ARG 10 HH21 ARG 10 -19.399 -4.167 -16.074 83 2HH1 ARG 10 HH22 ARG 10 -21.014 -3.544 -16.031 84 1HH2 ARG 10 HH11 ARG 10 -19.942 -0.207 -15.989 85 2HH2 ARG 10 HH12 ARG 10 -21.330 -1.243 -15.981 86 H ABA 11 HN ABU 11 -16.266 -0.348 -10.556 87 HA ABA 11 HA ABU 11 -17.261 2.284 -11.592 88 1HB ABA 11 HB1 ABU 11 -16.624 3.289 -9.436 89 2HB ABA 11 HB2 ABU 11 -15.997 1.756 -8.866 90 1HG ABA 11 HG1 ABU 11 -18.895 2.289 -9.596 91 2HG ABA 11 HG2 ABU 11 -18.265 2.193 -7.954 92 3HG ABA 11 HG3 ABU 11 -18.254 0.766 -8.988 93 H LYS 12 HN LYS 12 -15.777 2.932 -13.015 94 HA LYS 12 HA LYS 12 -13.041 2.066 -12.930 95 1HB LYS 12 HB1 LYS 12 -12.760 3.674 -14.821 96 2HB LYS 12 HB2 LYS 12 -14.355 4.335 -14.488 97 1HG LYS 12 HG1 LYS 12 -14.622 1.495 -14.661 98 2HG LYS 12 HG2 LYS 12 -13.674 2.016 -16.047 99 1HD LYS 12 HD1 LYS 12 -16.302 3.296 -15.219 100 2HD LYS 12 HD2 LYS 12 -16.162 2.051 -16.452 101 1HE LYS 12 HE1 LYS 12 -14.234 4.199 -16.881 102 2HE LYS 12 HE2 LYS 12 -15.884 4.806 -16.854 103 1HZ LYS 12 HZ1 LYS 12 -16.094 4.065 -18.905 104 2HZ LYS 12 HZ2 LYS 12 -15.935 2.474 -18.332 105 3HZ LYS 12 HZ3 LYS 12 -14.566 3.327 -18.862 106 H LYS 13 HN LYS 13 -14.408 3.987 -10.791 107 HA LYS 13 HA LYS 13 -12.029 5.777 -10.617 108 1HB LYS 13 HB1 LYS 13 -13.741 7.286 -9.299 109 2HB LYS 13 HB2 LYS 13 -14.961 6.307 -10.103 110 1HG LYS 13 HG1 LYS 13 -13.965 6.889 -12.302 111 2HG LYS 13 HG2 LYS 13 -12.766 7.886 -11.488 112 1HD LYS 13 HD1 LYS 13 -14.777 9.112 -10.420 113 2HD LYS 13 HD2 LYS 13 -15.756 8.312 -11.643 114 1HE LYS 13 HE1 LYS 13 -13.328 10.037 -12.235 115 2HE LYS 13 HE2 LYS 13 -14.997 10.581 -12.364 116 1HZ LYS 13 HZ1 LYS 13 -14.553 8.135 -13.763 117 2HZ LYS 13 HZ2 LYS 13 -13.536 9.376 -14.320 118 3HZ LYS 13 HZ3 LYS 13 -15.220 9.596 -14.317 119 HA PRO 14 HA PRO 14 -11.460 3.735 -6.667 120 1HB PRO 14 HB1 PRO 14 -9.324 4.478 -6.221 121 2HB PRO 14 HB2 PRO 14 -10.017 5.920 -5.477 122 1HG PRO 14 HG1 PRO 14 -8.520 5.817 -7.902 123 2HG PRO 14 HG2 PRO 14 -9.401 7.210 -7.273 124 1HD PRO 14 HD1 PRO 14 -10.852 7.003 -9.027 125 2HD PRO 14 HD2 PRO 14 -10.080 5.483 -9.520 126 H SER 15 HN SER 15 -11.879 7.271 -6.347 127 HA SER 15 HA SER 15 -13.029 7.368 -3.826 128 1HB SER 15 HB1 SER 15 -12.615 9.360 -5.383 129 2HB SER 15 HB2 SER 15 -14.218 9.421 -4.626 130 HG SER 15 HG1 SER 15 -14.031 7.887 -6.915 131 H MET 16 HN MET 16 -14.530 6.287 -6.820 132 HA MET 16 HA MET 16 -17.192 6.133 -5.649 133 1HB MET 16 HB1 MET 16 -17.533 4.639 -7.782 134 2HB MET 16 HB2 MET 16 -15.895 5.132 -8.206 135 1HG MET 16 HG1 MET 16 -17.512 6.641 -9.226 136 2HG MET 16 HG2 MET 16 -16.542 7.483 -8.047 137 1HE MET 16 HE1 MET 16 -18.209 8.885 -9.159 138 2HE MET 16 HE2 MET 16 -18.783 9.758 -7.738 139 3HE MET 16 HE3 MET 16 -19.935 8.963 -8.811 140 H LEU 17 HN LEU 17 -14.977 3.566 -6.833 141 HA LEU 17 HA LEU 17 -16.387 1.436 -5.610 142 1HB LEU 17 HB1 LEU 17 -13.355 1.518 -5.827 143 2HB LEU 17 HB2 LEU 17 -14.330 1.450 -7.275 144 HG LEU 17 HG LEU 17 -13.595 -0.817 -6.529 145 1HD1 LEU 17 HD11 LEU 17 -15.435 -0.500 -4.154 146 2HD1 LEU 17 HD12 LEU 17 -13.721 -0.135 -4.050 147 3HD1 LEU 17 HD13 LEU 17 -14.253 -1.759 -4.464 148 1HD2 LEU 17 HD21 LEU 17 -16.561 -0.840 -6.059 149 2HD2 LEU 17 HD22 LEU 17 -15.581 -1.848 -7.113 150 3HD2 LEU 17 HD23 LEU 17 -15.974 -0.203 -7.586 151 H LYS 18 HN LYS 18 -13.542 3.212 -4.512 152 HA LYS 18 HA LYS 18 -13.042 2.170 -2.049 153 1HB LYS 18 HB1 LYS 18 -13.300 5.138 -2.747 154 2HB LYS 18 HB2 LYS 18 -11.854 4.156 -2.947 155 1HG LYS 18 HG1 LYS 18 -12.587 3.785 -0.267 156 2HG LYS 18 HG2 LYS 18 -12.848 5.499 -0.564 157 1HD LYS 18 HD1 LYS 18 -10.557 5.660 -1.518 158 2HD LYS 18 HD2 LYS 18 -10.303 3.956 -1.161 159 1HE LYS 18 HE1 LYS 18 -9.793 4.430 0.983 160 2HE LYS 18 HE2 LYS 18 -11.303 5.308 1.190 161 1HZ LYS 18 HZ1 LYS 18 -10.226 7.216 1.101 162 2HZ LYS 18 HZ2 LYS 18 -9.491 6.812 -0.376 163 3HZ LYS 18 HZ3 LYS 18 -8.759 6.360 1.089 164 H LYS 19 HN LYS 19 -15.488 4.722 -2.599 165 HA LYS 19 HA LYS 19 -16.511 4.616 0.049 166 1HB LYS 19 HB1 LYS 19 -18.635 5.314 -1.734 167 2HB LYS 19 HB2 LYS 19 -17.156 5.933 -2.455 168 1HG LYS 19 HG1 LYS 19 -16.579 7.010 -0.278 169 2HG LYS 19 HG2 LYS 19 -18.107 6.442 0.383 170 1HD LYS 19 HD1 LYS 19 -19.071 7.638 -1.810 171 2HD LYS 19 HD2 LYS 19 -17.595 8.580 -1.647 172 1HE LYS 19 HE1 LYS 19 -18.194 9.116 0.695 173 2HE LYS 19 HE2 LYS 19 -19.671 8.173 0.534 174 1HZ LYS 19 HZ1 LYS 19 -20.017 9.753 -1.505 175 2HZ LYS 19 HZ2 LYS 19 -18.990 10.773 -0.618 176 3HZ LYS 19 HZ3 LYS 19 -20.449 10.236 0.065 177 H HIS 20 HN HIS 20 -17.354 2.845 -2.882 178 HA HIS 20 HA HIS 20 -19.732 1.640 -1.866 179 1HB HIS 20 HB1 HIS 20 -17.723 0.623 -3.917 180 2HB HIS 20 HB2 HIS 20 -19.193 1.523 -4.270 181 HD1 HIS 20 HD1 HIS 20 -21.152 0.010 -4.628 182 HD2 HIS 20 HD2 HIS 20 -18.192 -1.941 -2.636 183 HE1 HIS 20 HE1 HIS 20 -21.936 -2.300 -4.398 184 H ILE 21 HN ILE 21 -16.361 0.430 -1.917 185 HA ILE 21 HA ILE 21 -16.928 -2.043 -0.686 186 HB ILE 21 HB ILE 21 -14.620 -0.946 -1.605 187 1HG1 ILE 21 HG11 ILE 21 -14.852 -3.050 0.583 188 2HG1 ILE 21 HG12 ILE 21 -13.403 -2.780 -0.374 189 1HG2 ILE 21 HG21 ILE 21 -13.127 -0.290 0.175 190 2HG2 ILE 21 HG22 ILE 21 -14.206 -0.904 1.422 191 3HG2 ILE 21 HG23 ILE 21 -14.612 0.555 0.544 192 1HD1 ILE 21 HD1 ILE 21 -15.484 -2.993 -2.263 193 2HD1 ILE 21 HD2 ILE 21 -15.810 -4.252 -1.078 194 3HD1 ILE 21 HD3 ILE 21 -14.260 -4.205 -1.910 195 NH1 ARG 22 NH2 ARG 22 -13.931 6.476 3.087 196 NH2 ARG 22 NH1 ARG 22 -12.034 5.688 4.088 197 H ARG 22 HN ARG 22 -16.657 1.165 0.680 198 HA ARG 22 HA ARG 22 -16.523 0.228 3.428 199 1HB ARG 22 HB1 ARG 22 -17.393 2.673 3.834 200 2HB ARG 22 HB2 ARG 22 -17.213 2.874 2.099 201 1HG ARG 22 HG1 ARG 22 -14.846 2.249 2.238 202 2HG ARG 22 HG2 ARG 22 -15.008 1.951 3.966 203 1HD ARG 22 HD1 ARG 22 -15.514 4.293 4.382 204 2HD ARG 22 HD2 ARG 22 -15.576 4.630 2.653 205 HE ARG 22 HE ARG 22 -13.015 3.524 3.319 206 1HH1 ARG 22 HH21 ARG 22 -14.817 6.287 2.665 207 2HH1 ARG 22 HH22 ARG 22 -13.606 7.418 3.168 208 1HH2 ARG 22 HH11 ARG 22 -11.499 4.910 4.417 209 2HH2 ARG 22 HH12 ARG 22 -11.677 6.618 4.187 210 H THR 23 HN THR 23 -19.116 1.091 1.217 211 HA THR 23 HA THR 23 -21.269 1.288 2.968 212 HB THR 23 HB THR 23 -21.280 -0.269 0.302 213 HG1 THR 23 HG1 THR 23 -20.305 1.764 0.144 214 1HG2 THR 23 HG21 THR 23 -23.372 1.060 2.066 215 2HG2 THR 23 HG22 THR 23 -23.549 -0.361 1.045 216 3HG2 THR 23 HG23 THR 23 -23.546 1.244 0.323 217 H HIS 24 HN HIS 24 -19.325 -1.478 2.267 218 HA HIS 24 HA HIS 24 -21.301 -3.409 3.249 219 1HB HIS 24 HB1 HIS 24 -19.133 -4.897 3.312 220 2HB HIS 24 HB2 HIS 24 -18.333 -3.520 2.559 221 HD1 HIS 24 HD1 HIS 24 -21.177 -5.845 1.850 222 HD2 HIS 24 HD2 HIS 24 -18.774 -3.238 -0.154 223 HE1 HIS 24 HE1 HIS 24 -21.692 -6.168 -0.541 224 H THR 25 HN THR 25 -20.140 -1.028 4.858 225 HA THR 25 HA THR 25 -19.181 -2.544 7.232 226 HB THR 25 HB THR 25 -18.569 -0.174 8.021 227 HG1 THR 25 HG1 THR 25 -20.057 0.235 5.751 228 1HG2 THR 25 HG21 THR 25 -17.568 -1.403 5.467 229 2HG2 THR 25 HG22 THR 25 -16.638 -0.906 6.876 230 3HG2 THR 25 HG23 THR 25 -17.170 0.296 5.705 231 H ASP 26 HN ASP 26 -20.373 0.513 7.869 232 HA ASP 26 HA ASP 26 -23.102 -0.384 8.498 233 1HB ASP 26 HB1 ASP 26 -22.805 0.415 10.906 234 2HB ASP 26 HB2 ASP 26 -21.077 0.544 10.593 235 H VAL 27 HN VAL 27 -21.759 1.512 6.787 236 HA VAL 27 HA VAL 27 -22.586 4.125 7.917 237 HB VAL 27 HB VAL 27 -20.361 3.970 6.851 238 1HG1 VAL 27 HG11 VAL 27 -20.919 2.060 5.352 239 2HG1 VAL 27 HG12 VAL 27 -20.111 3.360 4.495 240 3HG1 VAL 27 HG13 VAL 27 -21.850 3.145 4.341 241 1HG2 VAL 27 HG21 VAL 27 -21.632 5.443 4.664 242 2HG2 VAL 27 HG22 VAL 27 -20.588 6.039 5.949 243 3HG2 VAL 27 HG23 VAL 27 -22.316 5.863 6.231 244 NH1 ARG 28 NH1 ARG 28 -26.116 -2.135 2.350 245 NH2 ARG 28 NH2 ARG 28 -24.074 -3.068 2.767 246 H ARG 28 HN ARG 28 -24.672 2.456 7.412 247 HA ARG 28 HA ARG 28 -25.942 3.592 4.958 248 1HB ARG 28 HB1 ARG 28 -27.425 1.481 5.226 249 2HB ARG 28 HB2 ARG 28 -26.223 0.930 6.386 250 1HG ARG 28 HG1 ARG 28 -24.582 1.627 4.360 251 2HG ARG 28 HG2 ARG 28 -26.013 1.200 3.431 252 1HD ARG 28 HD1 ARG 28 -26.106 -0.972 4.728 253 2HD ARG 28 HD2 ARG 28 -24.546 -0.550 5.430 254 HE ARG 28 HE ARG 28 -23.751 -0.449 2.967 255 1HH1 ARG 28 HH11 ARG 28 -26.724 -1.343 2.405 256 2HH1 ARG 28 HH12 ARG 28 -26.441 -2.985 1.935 257 1HH2 ARG 28 HH21 ARG 28 -23.148 -2.974 3.135 258 2HH2 ARG 28 HH22 ARG 28 -24.363 -3.934 2.359 259 HA PRO 29 HA PRO 29 -28.118 5.270 8.726 260 1HB PRO 29 HB1 PRO 29 -27.983 7.541 8.415 261 2HB PRO 29 HB2 PRO 29 -28.969 7.449 6.954 262 1HG PRO 29 HG1 PRO 29 -26.053 7.695 7.177 263 2HG PRO 29 HG2 PRO 29 -27.062 7.848 5.737 264 1HD PRO 29 HD1 PRO 29 -26.526 5.744 5.067 265 2HD PRO 29 HD2 PRO 29 -25.354 5.659 6.394 266 OH TYR 30 OH TYR 30 -30.190 9.591 2.285 267 H TYR 30 HN TYR 30 -29.154 4.671 5.443 268 HA TYR 30 HA TYR 30 -31.992 4.987 6.087 269 1HB TYR 30 HB1 TYR 30 -32.324 4.045 3.789 270 2HB TYR 30 HB2 TYR 30 -30.619 3.636 3.706 271 HD1 TYR 30 HD1 TYR 30 -32.753 6.608 4.525 272 HD2 TYR 30 HD2 TYR 30 -29.233 5.180 2.608 273 HE1 TYR 30 HE1 TYR 30 -32.261 8.875 3.733 274 HE2 TYR 30 HE2 TYR 30 -28.741 7.450 1.825 275 HH TYR 30 HH TYR 30 -31.023 10.018 2.068 276 H HIS 31 HN HIS 31 -32.241 3.600 7.886 277 HA HIS 31 HA HIS 31 -31.889 0.680 7.370 278 1HB HIS 31 HB1 HIS 31 -32.470 0.608 9.913 279 2HB HIS 31 HB2 HIS 31 -32.309 2.360 9.879 280 HD1 HIS 31 HD1 HIS 31 -30.311 -0.623 9.957 281 HD2 HIS 31 HD2 HIS 31 -29.659 3.298 9.155 282 HE1 HIS 31 HE1 HIS 31 -27.900 -0.354 10.072 283 H CYS 32 HN CYS 32 -33.615 -0.740 7.385 284 HA CYS 32 HA CYS 32 -36.211 0.310 6.783 285 1HB CYS 32 HB1 CYS 32 -35.140 -2.425 7.537 286 2HB CYS 32 HB2 CYS 32 -35.742 -1.892 5.989 287 H THR 33 HN THR 33 -38.103 0.345 8.034 288 HA THR 33 HA THR 33 -37.617 0.840 10.876 289 HB THR 33 HB THR 33 -40.147 0.915 9.131 290 HG1 THR 33 HG1 THR 33 -39.721 3.193 9.819 291 1HG2 THR 33 HG21 THR 33 -39.679 1.305 12.104 292 2HG2 THR 33 HG22 THR 33 -41.128 0.713 11.297 293 3HG2 THR 33 HG23 THR 33 -40.759 2.434 11.292 294 OH TYR 34 OH TYR 34 -44.150 -0.481 9.222 295 H TYR 34 HN TYR 34 -37.608 -1.937 9.458 296 HA TYR 34 HA TYR 34 -39.017 -3.296 11.696 297 1HB TYR 34 HB1 TYR 34 -40.025 -4.923 10.125 298 2HB TYR 34 HB2 TYR 34 -39.250 -4.130 8.761 299 HD1 TYR 34 HD2 TYR 34 -39.903 -1.704 8.249 300 HD2 TYR 34 HD1 TYR 34 -42.110 -4.130 10.957 301 HE1 TYR 34 HE2 TYR 34 -41.839 -0.218 8.006 302 HE2 TYR 34 HE1 TYR 34 -44.042 -2.638 10.714 303 HH TYR 34 HH TYR 34 -44.942 -1.022 9.176 304 H CYS 35 HN CYS 35 -37.332 -4.275 8.721 305 HA CYS 35 HA CYS 35 -35.943 -6.441 9.979 306 1HB CYS 35 HB1 CYS 35 -34.642 -6.530 7.927 307 2HB CYS 35 HB2 CYS 35 -35.015 -4.874 7.549 308 H ASN 36 HN ASN 36 -33.364 -6.215 9.169 309 HA ASN 36 HA ASN 36 -32.288 -4.011 10.884 310 1HB ASN 36 HB1 ASN 36 -31.287 -6.881 10.487 311 2HB ASN 36 HB2 ASN 36 -31.983 -6.223 11.967 312 1HD2 ASN 36 HD21 ASN 36 -30.723 -4.419 13.027 313 2HD2 ASN 36 HD22 ASN 36 -29.037 -4.375 12.835 314 H PHE 37 HN PHE 37 -32.667 -4.958 7.835 315 HA PHE 37 HA PHE 37 -29.945 -4.626 6.833 316 1HB PHE 37 HB1 PHE 37 -32.366 -4.305 5.067 317 2HB PHE 37 HB2 PHE 37 -32.128 -5.877 5.827 318 HD1 PHE 37 HD2 PHE 37 -29.811 -6.995 5.544 319 HD2 PHE 37 HD1 PHE 37 -31.105 -3.706 3.172 320 HE1 PHE 37 HE2 PHE 37 -28.108 -7.538 3.858 321 HE2 PHE 37 HE1 PHE 37 -29.402 -4.253 1.487 322 HZ PHE 37 HZ PHE 37 -27.903 -6.168 1.830 323 H SER 38 HN SER 38 -29.330 -2.890 5.390 324 HA SER 38 HA SER 38 -30.986 -0.453 5.541 325 1HB SER 38 HB1 SER 38 -28.078 -0.422 6.447 326 2HB SER 38 HB2 SER 38 -29.423 -0.562 7.583 327 HG SER 38 HG1 SER 38 -29.473 1.380 5.555 328 H PHE 39 HN PHE 39 -29.933 1.352 4.309 329 HA PHE 39 HA PHE 39 -28.228 0.319 2.093 330 1HB PHE 39 HB1 PHE 39 -29.740 1.265 0.470 331 2HB PHE 39 HB2 PHE 39 -30.593 2.188 1.706 332 HD1 PHE 39 HD2 PHE 39 -31.990 0.971 3.405 333 HD2 PHE 39 HD1 PHE 39 -30.320 -1.049 0.054 334 HE1 PHE 39 HE2 PHE 39 -33.535 -0.898 3.767 335 HE2 PHE 39 HE1 PHE 39 -31.871 -2.921 0.418 336 HZ PHE 39 HZ PHE 39 -33.480 -2.846 2.277 337 H LYS 40 HN LYS 40 -27.133 1.999 0.906 338 HA LYS 40 HA LYS 40 -26.334 4.214 2.679 339 1HB LYS 40 HB1 LYS 40 -25.356 3.202 -0.036 340 2HB LYS 40 HB2 LYS 40 -24.592 2.941 1.514 341 1HG LYS 40 HG1 LYS 40 -24.873 5.609 0.095 342 2HG LYS 40 HG2 LYS 40 -23.390 4.698 0.327 343 1HD LYS 40 HD1 LYS 40 -24.025 4.832 2.872 344 2HD LYS 40 HD2 LYS 40 -25.008 6.198 2.363 345 1HE LYS 40 HE1 LYS 40 -22.033 5.888 2.336 346 2HE LYS 40 HE2 LYS 40 -23.003 7.291 2.766 347 1HZ LYS 40 HZ1 LYS 40 -22.109 6.382 0.143 348 2HZ LYS 40 HZ2 LYS 40 -22.249 7.958 0.759 349 3HZ LYS 40 HZ3 LYS 40 -23.633 7.126 0.231 350 H THR 41 HN THR 41 -28.487 3.657 0.135 351 HA THR 41 HA THR 41 -28.700 6.598 -0.360 352 HB THR 41 HB THR 41 -29.155 6.141 -2.684 353 HG1 THR 41 HG1 THR 41 -29.862 4.089 -3.257 354 1HG2 THR 41 HG21 THR 41 -26.760 5.297 -1.855 355 2HG2 THR 41 HG22 THR 41 -27.327 4.709 -3.414 356 3HG2 THR 41 HG23 THR 41 -27.459 3.686 -1.987 357 H LYS 42 HN LYS 42 -30.790 7.392 -0.829 358 HA LYS 42 HA LYS 42 -32.823 6.153 0.817 359 1HB LYS 42 HB1 LYS 42 -32.936 8.589 -1.021 360 2HB LYS 42 HB2 LYS 42 -32.527 8.633 0.690 361 1HG LYS 42 HG1 LYS 42 -34.902 7.244 0.720 362 2HG LYS 42 HG2 LYS 42 -35.166 8.374 -0.602 363 1HD LYS 42 HD1 LYS 42 -34.390 10.229 0.919 364 2HD LYS 42 HD2 LYS 42 -34.335 9.061 2.235 365 1HE LYS 42 HE1 LYS 42 -36.819 9.558 0.569 366 2HE LYS 42 HE2 LYS 42 -36.492 10.402 2.077 367 1HZ LYS 42 HZ1 LYS 42 -37.898 8.454 2.391 368 2HZ LYS 42 HZ2 LYS 42 -36.430 8.303 3.228 369 3HZ LYS 42 HZ3 LYS 42 -36.669 7.456 1.776 370 H GLY 43 HN GLY 43 -31.904 5.960 -2.441 371 1HA GLY 43 HA1 GLY 43 -32.958 5.018 -4.324 372 2HA GLY 43 HA2 GLY 43 -34.497 5.524 -3.631 373 H ASN 44 HN ASN 44 -31.929 3.139 -2.994 374 HA ASN 44 HA ASN 44 -33.370 0.816 -3.364 375 1HB ASN 44 HB1 ASN 44 -31.872 -0.086 -1.408 376 2HB ASN 44 HB2 ASN 44 -31.221 1.547 -1.337 377 1HD2 ASN 44 HD21 ASN 44 -31.787 1.674 -4.409 378 2HD2 ASN 44 HD22 ASN 44 -30.450 0.872 -5.080 379 H LEU 45 HN LEU 45 -33.556 3.023 -0.661 380 HA LEU 45 HA LEU 45 -34.929 1.367 1.181 381 1HB LEU 45 HB1 LEU 45 -35.559 4.316 0.754 382 2HB LEU 45 HB2 LEU 45 -33.999 3.828 1.391 383 HG LEU 45 HG LEU 45 -35.597 4.390 3.207 384 1HD1 LEU 45 HD11 LEU 45 -37.639 3.244 3.549 385 2HD1 LEU 45 HD12 LEU 45 -37.222 1.953 2.435 386 3HD1 LEU 45 HD13 LEU 45 -37.612 3.551 1.818 387 1HD2 LEU 45 HD21 LEU 45 -34.859 2.703 4.593 388 2HD2 LEU 45 HD22 LEU 45 -33.844 2.359 3.203 389 3HD2 LEU 45 HD23 LEU 45 -35.302 1.421 3.476 390 H THR 46 HN THR 46 -36.338 3.762 -1.057 391 HA THR 46 HA THR 46 -39.032 3.096 -0.679 392 HB THR 46 HB THR 46 -37.628 3.858 -3.315 393 HG1 THR 46 HG1 THR 46 -38.993 5.761 -2.000 394 1HG2 THR 46 HG21 THR 46 -40.523 3.933 -2.314 395 2HG2 THR 46 HG22 THR 46 -39.943 3.304 -3.854 396 3HG2 THR 46 HG23 THR 46 -39.970 5.042 -3.566 397 H LYS 47 HN LYS 47 -36.552 1.453 -2.500 398 HA LYS 47 HA LYS 47 -38.311 -0.306 -3.954 399 1HB LYS 47 HB1 LYS 47 -35.549 -1.181 -3.118 400 2HB LYS 47 HB2 LYS 47 -35.682 0.243 -4.144 401 1HG LYS 47 HG1 LYS 47 -36.818 -0.986 -5.861 402 2HG LYS 47 HG2 LYS 47 -37.077 -2.364 -4.797 403 1HD LYS 47 HD1 LYS 47 -34.628 -2.730 -4.683 404 2HD LYS 47 HD2 LYS 47 -34.377 -1.361 -5.759 405 1HE LYS 47 HE1 LYS 47 -36.025 -3.810 -6.463 406 2HE LYS 47 HE2 LYS 47 -34.355 -3.563 -6.959 407 1HZ LYS 47 HZ1 LYS 47 -35.912 -1.287 -7.577 408 2HZ LYS 47 HZ2 LYS 47 -36.628 -2.677 -8.239 409 3HZ LYS 47 HZ3 LYS 47 -35.017 -2.289 -8.615 410 H HIS 48 HN HIS 48 -36.447 -0.762 -0.943 411 HA HIS 48 HA HIS 48 -37.375 -3.440 -0.502 412 1HB HIS 48 HB1 HIS 48 -36.367 -1.310 1.450 413 2HB HIS 48 HB2 HIS 48 -35.409 -2.584 0.703 414 HD1 HIS 48 HD1 HIS 48 -36.706 -5.041 1.282 415 HD2 HIS 48 HD2 HIS 48 -37.066 -2.021 4.017 416 HE1 HIS 48 HE1 HIS 48 -37.328 -6.135 3.380 417 H MET 49 HN MET 49 -38.656 -0.295 0.462 418 HA MET 49 HA MET 49 -40.700 -1.437 2.179 419 1HB MET 49 HB1 MET 49 -41.710 0.966 1.780 420 2HB MET 49 HB2 MET 49 -40.197 1.288 0.939 421 1HG MET 49 HG1 MET 49 -39.883 1.952 3.211 422 2HG MET 49 HG2 MET 49 -38.970 0.488 2.961 423 1HE MET 49 HE1 MET 49 -41.670 1.484 6.268 424 2HE MET 49 HE2 MET 49 -41.791 2.301 4.710 425 3HE MET 49 HE3 MET 49 -40.247 2.248 5.560 426 H LYS 50 HN LYS 50 -40.467 -0.667 -1.216 427 HA LYS 50 HA LYS 50 -43.233 -0.597 -1.856 428 1HB LYS 50 HB1 LYS 50 -40.847 -1.642 -3.457 429 2HB LYS 50 HB2 LYS 50 -41.499 -0.006 -3.507 430 1HG LYS 50 HG1 LYS 50 -43.745 -1.215 -4.151 431 2HG LYS 50 HG2 LYS 50 -42.689 -2.547 -4.600 432 1HD LYS 50 HD1 LYS 50 -42.464 0.304 -5.627 433 2HD LYS 50 HD2 LYS 50 -43.109 -1.059 -6.534 434 1HE LYS 50 HE1 LYS 50 -40.711 -2.090 -5.756 435 2HE LYS 50 HE2 LYS 50 -40.292 -0.386 -5.879 436 1HZ LYS 50 HZ1 LYS 50 -41.788 -0.904 -8.111 437 2HZ LYS 50 HZ2 LYS 50 -40.798 -2.273 -7.944 438 3HZ LYS 50 HZ3 LYS 50 -40.099 -0.728 -8.040 439 H SER 51 HN SER 51 -41.058 -3.291 -1.296 440 HA SER 51 HA SER 51 -42.714 -5.363 -2.341 441 1HB SER 51 HB1 SER 51 -40.751 -5.426 0.017 442 2HB SER 51 HB2 SER 51 -40.347 -5.765 -1.678 443 HG SER 51 HG1 SER 51 -42.523 -7.081 -0.513 444 H LYS 52 HN LYS 52 -44.117 -6.810 -1.272 445 HA LYS 52 HA LYS 52 -45.841 -5.502 0.675 446 1HB LYS 52 HB1 LYS 52 -45.993 -8.454 0.009 447 2HB LYS 52 HB2 LYS 52 -46.390 -7.277 -1.238 448 1HG LYS 52 HG1 LYS 52 -48.205 -6.402 -0.006 449 2HG LYS 52 HG2 LYS 52 -47.612 -7.064 1.512 450 1HD LYS 52 HD1 LYS 52 -48.396 -9.199 1.045 451 2HD LYS 52 HD2 LYS 52 -48.257 -8.982 -0.696 452 1HE LYS 52 HE1 LYS 52 -50.290 -7.520 1.018 453 2HE LYS 52 HE2 LYS 52 -50.640 -9.017 0.164 454 1HZ LYS 52 HZ1 LYS 52 -49.474 -7.364 -1.696 455 2HZ LYS 52 HZ2 LYS 52 -50.545 -6.366 -0.833 456 3HZ LYS 52 HZ3 LYS 52 -51.117 -7.779 -1.583 457 H ALA 53 HN ALA 53 -42.944 -6.618 1.202 458 HA ALA 53 HA ALA 53 -42.978 -8.650 3.104 459 1HB ALA 53 HB1 ALA 53 -40.938 -7.625 4.006 460 2HB ALA 53 HB2 ALA 53 -41.391 -6.049 3.367 461 3HB ALA 53 HB3 ALA 53 -40.944 -7.350 2.267 462 H HIS 54 HN HIS 54 -42.813 -5.258 4.159 463 HA HIS 54 HA HIS 54 -45.066 -5.679 5.976 464 1HB HIS 54 HB1 HIS 54 -43.536 -6.493 7.522 465 2HB HIS 54 HB2 HIS 54 -43.339 -4.776 7.844 466 HD1 HIS 54 HD1 HIS 54 -41.593 -7.616 6.331 467 HD2 HIS 54 HD2 HIS 54 -40.897 -3.619 6.834 468 HE1 HIS 54 HE1 HIS 54 -39.201 -7.308 5.904 469 H SER 55 HN SER 55 -46.033 -3.948 4.988 470 HA SER 55 HA SER 55 -45.165 -1.332 5.970 471 1HB SER 55 HB1 SER 55 -43.838 -1.414 3.898 472 2HB SER 55 HB2 SER 55 -45.246 -0.395 3.539 473 HG SER 55 HG1 SER 55 -45.763 -3.060 3.300 474 H LYS 56 HN LYS 56 -47.155 -1.265 6.990 475 HA LYS 56 HA LYS 56 -49.634 -1.698 5.527 476 1HB LYS 56 HB1 LYS 56 -50.691 -0.922 7.640 477 2HB LYS 56 HB2 LYS 56 -49.138 -0.336 8.220 478 1HG LYS 56 HG1 LYS 56 -48.246 -2.676 8.044 479 2HG LYS 56 HG2 LYS 56 -49.863 -3.220 7.609 480 1HD LYS 56 HD1 LYS 56 -50.750 -2.431 9.746 481 2HD LYS 56 HD2 LYS 56 -49.189 -1.737 10.173 482 1HE LYS 56 HE1 LYS 56 -48.177 -3.867 10.407 483 2HE LYS 56 HE2 LYS 56 -49.456 -4.671 9.506 484 1HZ LYS 56 HZ1 LYS 56 -49.555 -3.589 12.252 485 2HZ LYS 56 HZ2 LYS 56 -49.856 -5.177 11.729 486 3HZ LYS 56 HZ3 LYS 56 -50.967 -3.941 11.376 487 H LYS 57 HN LYS 57 -48.385 0.053 3.985 488 HA LYS 57 HA LYS 57 -48.609 2.793 4.523 489 1HB LYS 57 HB1 LYS 57 -49.179 1.450 1.841 490 2HB LYS 57 HB2 LYS 57 -47.555 1.686 2.474 491 1HG LYS 57 HG1 LYS 57 -47.929 4.123 2.563 492 2HG LYS 57 HG2 LYS 57 -49.570 3.900 1.965 493 1HD LYS 57 HD1 LYS 57 -48.734 2.983 -0.134 494 2HD LYS 57 HD2 LYS 57 -47.081 3.015 0.468 495 1HE LYS 57 HE1 LYS 57 -47.811 4.972 -1.050 496 2HE LYS 57 HE2 LYS 57 -47.004 5.390 0.456 497 1HZ LYS 57 HZ1 LYS 57 -48.883 6.770 0.270 498 2HZ LYS 57 HZ2 LYS 57 -49.267 5.609 1.448 499 3HZ LYS 57 LYS 57 -49.906 5.471 -0.119 Start of MODEL 7 Raw file had 499 H/Q atoms Start of MODEL 7 1 1H LYS 1 HT1 LYS 1 -8.795 -2.722 -11.931 2 2H LYS 1 HT2 LYS 1 -10.434 -2.338 -11.704 3 3H LYS 1 HT3 LYS 1 -9.998 -3.677 -12.653 4 HA LYS 1 HA LYS 1 -10.123 -4.973 -10.901 5 1HB LYS 1 HB1 LYS 1 -8.430 -3.609 -8.978 6 2HB LYS 1 HB2 LYS 1 -7.691 -3.480 -10.570 7 1HG LYS 1 HG1 LYS 1 -7.768 -5.886 -10.871 8 2HG LYS 1 HG2 LYS 1 -8.711 -6.086 -9.397 9 1HD LYS 1 HD1 LYS 1 -6.880 -5.473 -8.010 10 2HD LYS 1 HD2 LYS 1 -5.986 -4.778 -9.358 11 1HE LYS 1 HE1 LYS 1 -5.458 -6.900 -10.257 12 2HE LYS 1 HE2 LYS 1 -6.733 -7.701 -9.349 13 1HZ LYS 1 HZ1 LYS 1 -5.095 -6.527 -7.473 14 2HZ LYS 1 HZ2 LYS 1 -4.046 -7.226 -8.611 15 3HZ LYS 1 HZ3 LYS 1 -5.218 -8.181 -7.839 16 OH TYR 2 OH TYR 2 -7.879 2.441 -9.310 17 H TYR 2 HN TYR 2 -11.542 -2.207 -10.967 18 HA TYR 2 HA TYR 2 -12.173 -1.940 -8.086 19 1HB TYR 2 HB1 TYR 2 -13.498 0.030 -8.849 20 2HB TYR 2 HB2 TYR 2 -13.176 -0.399 -10.526 21 HD1 TYR 2 HD2 TYR 2 -11.512 0.587 -7.342 22 HD2 TYR 2 HD1 TYR 2 -11.131 0.242 -11.565 23 HE1 TYR 2 HE2 TYR 2 -9.400 1.833 -7.254 24 HE2 TYR 2 HE1 TYR 2 -9.018 1.482 -11.477 25 HH TYR 2 HH TYR 2 -7.217 1.875 -8.908 26 H ILE 3 HN ILE 3 -12.946 -4.366 -9.052 27 HA ILE 3 HA ILE 3 -15.890 -4.121 -9.473 28 HB ILE 3 HB ILE 3 -14.268 -6.676 -9.713 29 1HG1 ILE 3 HG11 ILE 3 -13.063 -5.077 -11.092 30 2HG1 ILE 3 HG12 ILE 3 -14.563 -4.479 -11.792 31 1HG2 ILE 3 HG21 ILE 3 -16.921 -6.295 -9.865 32 2HG2 ILE 3 HG22 ILE 3 -16.127 -7.408 -10.972 33 3HG2 ILE 3 HG23 ILE 3 -16.538 -5.780 -11.503 34 1HD1 ILE 3 HD1 ILE 3 -14.901 -6.425 -13.055 35 2HD1 ILE 3 HD2 ILE 3 -13.906 -7.409 -11.986 36 3HD1 ILE 3 HD3 ILE 3 -13.146 -6.277 -13.100 37 H CYS 4 HN CYS 4 -16.807 -4.038 -7.439 38 HA CYS 4 HA CYS 4 -15.762 -5.240 -5.123 39 1HB CYS 4 HB1 CYS 4 -18.600 -4.615 -5.951 40 2HB CYS 4 HB2 CYS 4 -17.592 -3.726 -4.849 41 H GLU 5 HN GLU 5 -15.273 -7.262 -4.815 42 HA GLU 5 HA GLU 5 -16.115 -9.448 -6.370 43 1HB GLU 5 HB1 GLU 5 -15.277 -10.830 -4.402 44 2HB GLU 5 HB2 GLU 5 -15.118 -9.333 -3.490 45 1HG GLU 5 HG1 GLU 5 -12.953 -9.832 -4.464 46 2HG GLU 5 HG2 GLU 5 -13.627 -8.463 -5.345 47 H GLU 6 HN GLU 6 -17.749 -7.901 -3.724 48 HA GLU 6 HA GLU 6 -19.474 -10.177 -3.205 49 1HB GLU 6 HB1 GLU 6 -20.076 -7.338 -2.355 50 2HB GLU 6 HB2 GLU 6 -18.755 -8.211 -1.595 51 1HG GLU 6 HG1 GLU 6 -20.335 -10.057 -1.027 52 2HG GLU 6 HG2 GLU 6 -21.652 -9.116 -1.724 53 H CYS 7 HN CYS 7 -20.267 -6.855 -4.200 54 HA CYS 7 HA CYS 7 -22.759 -7.794 -5.402 55 1HB CYS 7 HB1 CYS 7 -23.194 -5.487 -5.840 56 2HB CYS 7 HB2 CYS 7 -21.504 -5.077 -5.818 57 H GLY 8 HN GLY 8 -19.864 -6.139 -6.610 58 1HA GLY 8 HA1 GLY 8 -20.350 -7.412 -9.275 59 2HA GLY 8 HA2 GLY 8 -18.750 -7.057 -8.638 60 H ILE 9 HN ILE 9 -20.113 -4.480 -7.543 61 HA ILE 9 HA ILE 9 -20.907 -2.903 -9.744 62 HB ILE 9 HB ILE 9 -21.014 -2.384 -7.185 63 1HG1 ILE 9 HG11 ILE 9 -20.598 -0.575 -9.490 64 2HG1 ILE 9 HG12 ILE 9 -20.401 0.176 -7.911 65 1HG2 ILE 9 HG21 ILE 9 -18.404 -2.586 -7.050 66 2HG2 ILE 9 HG22 ILE 9 -19.128 -1.212 -6.239 67 3HG2 ILE 9 HG23 ILE 9 -18.360 -0.996 -7.803 68 1HD1 ILE 9 HD1 ILE 9 -22.787 0.150 -8.880 69 2HD1 ILE 9 HD2 ILE 9 -22.606 -0.441 -7.230 70 3HD1 ILE 9 HD3 ILE 9 -22.779 -1.583 -8.561 71 NH1 ARG 10 NH2 ARG 10 -13.723 -3.123 -15.252 72 NH2 ARG 10 NH1 ARG 10 -14.136 -3.757 -17.408 73 H ARG 10 HN ARG 10 -19.827 -2.093 -11.408 74 HA ARG 10 HA ARG 10 -16.854 -2.255 -11.353 75 1HB ARG 10 HB1 ARG 10 -18.729 -1.782 -13.718 76 2HB ARG 10 HB2 ARG 10 -18.201 -3.378 -13.204 77 1HG ARG 10 HG1 ARG 10 -15.790 -2.416 -13.413 78 2HG ARG 10 HG2 ARG 10 -16.540 -1.130 -14.349 79 1HD ARG 10 HD1 ARG 10 -17.651 -3.051 -15.706 80 2HD ARG 10 HD2 ARG 10 -16.428 -4.084 -14.970 81 HE ARG 10 HE ARG 10 -15.881 -1.848 -16.850 82 1HH1 ARG 10 HH21 ARG 10 -14.033 -2.658 -14.422 83 2HH1 ARG 10 HH22 ARG 10 -12.823 -3.557 -15.276 84 1HH2 ARG 10 HH11 ARG 10 -14.754 -3.767 -18.194 85 2HH2 ARG 10 HH12 ARG 10 -13.242 -4.203 -17.468 86 H ABA 11 HN ABU 11 -16.239 -0.368 -10.362 87 HA ABA 11 HA ABU 11 -17.220 2.186 -11.586 88 1HB ABA 11 HB1 ABU 11 -16.225 3.200 -9.488 89 2HB ABA 11 HB2 ABU 11 -15.872 1.582 -8.923 90 1HG ABA 11 HG1 ABU 11 -18.592 2.781 -9.496 91 2HG ABA 11 HG2 ABU 11 -17.989 2.182 -7.953 92 3HG ABA 11 HG3 ABU 11 -18.346 1.053 -9.258 93 H LYS 12 HN LYS 12 -15.921 2.836 -13.144 94 HA LYS 12 HA LYS 12 -13.204 2.084 -13.448 95 1HB LYS 12 HB1 LYS 12 -13.204 4.052 -15.105 96 2HB LYS 12 HB2 LYS 12 -14.859 4.364 -14.593 97 1HG LYS 12 HG1 LYS 12 -15.455 2.013 -15.215 98 2HG LYS 12 HG2 LYS 12 -13.814 1.778 -15.798 99 1HD LYS 12 HD1 LYS 12 -15.251 2.348 -17.693 100 2HD LYS 12 HD2 LYS 12 -14.139 3.676 -17.396 101 1HE LYS 12 HE1 LYS 12 -15.807 5.091 -16.683 102 2HE LYS 12 HE2 LYS 12 -16.736 3.798 -15.939 103 1HZ LYS 12 HZ1 LYS 12 -17.761 3.275 -17.884 104 2HZ LYS 12 HZ2 LYS 12 -16.497 3.858 -18.856 105 3HZ LYS 12 HZ3 LYS 12 -17.558 4.947 -18.101 106 H LYS 13 HN LYS 13 -14.230 3.782 -10.938 107 HA LYS 13 HA LYS 13 -11.705 5.329 -10.828 108 1HB LYS 13 HB1 LYS 13 -13.197 7.155 -9.636 109 2HB LYS 13 HB2 LYS 13 -14.528 6.350 -10.463 110 1HG LYS 13 HG1 LYS 13 -13.319 6.645 -12.628 111 2HG LYS 13 HG2 LYS 13 -12.052 7.522 -11.778 112 1HD LYS 13 HD1 LYS 13 -13.868 9.106 -10.943 113 2HD LYS 13 HD2 LYS 13 -14.964 8.317 -12.073 114 1HE LYS 13 HE1 LYS 13 -12.321 9.570 -12.885 115 2HE LYS 13 HE2 LYS 13 -13.867 10.398 -12.993 116 1HZ LYS 13 HZ1 LYS 13 -12.877 8.112 -14.540 117 2HZ LYS 13 HZ2 LYS 13 -13.667 9.517 -15.073 118 3HZ LYS 13 HZ3 LYS 13 -14.550 8.287 -14.302 119 HA PRO 14 HA PRO 14 -11.446 3.680 -6.709 120 1HB PRO 14 HB1 PRO 14 -9.368 4.556 -6.208 121 2HB PRO 14 HB2 PRO 14 -10.197 5.924 -5.465 122 1HG PRO 14 HG1 PRO 14 -8.559 6.049 -7.764 123 2HG PRO 14 HG2 PRO 14 -9.672 7.309 -7.230 124 1HD PRO 14 HD1 PRO 14 -10.878 6.919 -9.143 125 2HD PRO 14 HD2 PRO 14 -9.923 5.465 -9.491 126 H SER 15 HN SER 15 -11.734 7.190 -6.172 127 HA SER 15 HA SER 15 -13.176 7.362 -3.889 128 1HB SER 15 HB1 SER 15 -12.643 9.267 -5.582 129 2HB SER 15 HB2 SER 15 -14.209 9.419 -4.761 130 HG SER 15 HG1 SER 15 -14.076 9.472 -7.216 131 H MET 16 HN MET 16 -14.554 6.386 -6.987 132 HA MET 16 HA MET 16 -17.249 6.193 -5.966 133 1HB MET 16 HB1 MET 16 -17.423 4.642 -8.098 134 2HB MET 16 HB2 MET 16 -15.775 5.180 -8.411 135 1HG MET 16 HG1 MET 16 -16.692 7.557 -8.020 136 2HG MET 16 HG2 MET 16 -18.272 6.845 -8.203 137 1HE MET 16 HE1 MET 16 -18.736 6.032 -11.787 138 2HE MET 16 HE2 MET 16 -19.408 6.235 -10.169 139 3HE MET 16 HE3 MET 16 -18.298 4.906 -10.501 140 H LEU 17 HN LEU 17 -14.797 3.700 -6.769 141 HA LEU 17 HA LEU 17 -16.335 1.570 -5.609 142 1HB LEU 17 HB1 LEU 17 -13.297 1.625 -5.789 143 2HB LEU 17 HB2 LEU 17 -14.268 1.486 -7.235 144 HG LEU 17 HG LEU 17 -13.507 -0.741 -6.358 145 1HD1 LEU 17 HD11 LEU 17 -13.702 0.026 -3.916 146 2HD1 LEU 17 HD12 LEU 17 -14.236 -1.608 -4.281 147 3HD1 LEU 17 HD13 LEU 17 -15.417 -0.331 -4.053 148 1HD2 LEU 17 HD21 LEU 17 -15.491 -1.862 -6.853 149 2HD2 LEU 17 HD22 LEU 17 -15.807 -0.287 -7.559 150 3HD2 LEU 17 HD23 LEU 17 -16.500 -0.702 -6.004 151 H LYS 18 HN LYS 18 -13.421 3.247 -4.487 152 HA LYS 18 HA LYS 18 -12.989 2.270 -2.007 153 1HB LYS 18 HB1 LYS 18 -13.157 5.206 -2.827 154 2HB LYS 18 HB2 LYS 18 -11.724 4.184 -2.843 155 1HG LYS 18 HG1 LYS 18 -12.484 3.914 -0.245 156 2HG LYS 18 HG2 LYS 18 -13.046 5.546 -0.564 157 1HD LYS 18 HD1 LYS 18 -10.234 4.509 -1.054 158 2HD LYS 18 HD2 LYS 18 -10.719 5.582 0.253 159 1HE LYS 18 HE1 LYS 18 -10.506 6.165 -2.692 160 2HE LYS 18 HE2 LYS 18 -9.915 7.107 -1.332 161 1HZ LYS 18 HZ1 LYS 18 -11.886 8.044 -2.490 162 2HZ LYS 18 HZ2 LYS 18 -12.091 7.821 -0.819 163 3HZ LYS 18 HZ3 LYS 18 -12.794 6.729 -1.914 164 H LYS 19 HN LYS 19 -15.518 4.696 -2.696 165 HA LYS 19 HA LYS 19 -16.491 4.657 0.008 166 1HB LYS 19 HB1 LYS 19 -18.630 5.517 -1.559 167 2HB LYS 19 HB2 LYS 19 -17.251 5.896 -2.581 168 1HG LYS 19 HG1 LYS 19 -17.467 6.725 0.335 169 2HG LYS 19 HG2 LYS 19 -17.895 7.765 -1.016 170 1HD LYS 19 HD1 LYS 19 -15.615 7.618 -1.900 171 2HD LYS 19 HD2 LYS 19 -15.171 6.492 -0.624 172 1HE LYS 19 HE1 LYS 19 -15.503 8.179 1.079 173 2HE LYS 19 HE2 LYS 19 -16.214 9.287 -0.086 174 1HZ LYS 19 HZ1 LYS 19 -13.783 8.665 -1.149 175 2HZ LYS 19 HZ2 LYS 19 -13.469 8.804 0.513 176 3HZ LYS 19 HZ3 LYS 19 -14.182 10.096 -0.327 177 H HIS 20 HN HIS 20 -17.384 3.007 -2.970 178 HA HIS 20 HA HIS 20 -19.802 1.832 -2.076 179 1HB HIS 20 HB1 HIS 20 -17.677 0.742 -3.969 180 2HB HIS 20 HB2 HIS 20 -19.082 1.683 -4.446 181 HD1 HIS 20 HD1 HIS 20 -21.025 0.217 -4.990 182 HD2 HIS 20 HD2 HIS 20 -18.340 -1.785 -2.681 183 HE1 HIS 20 HE1 HIS 20 -21.892 -2.067 -4.814 184 H ILE 21 HN ILE 21 -16.468 0.553 -1.945 185 HA ILE 21 HA ILE 21 -17.242 -1.843 -0.626 186 HB ILE 21 HB ILE 21 -14.911 -1.078 -1.702 187 1HG1 ILE 21 HG11 ILE 21 -15.510 -3.038 0.498 188 2HG1 ILE 21 HG12 ILE 21 -13.845 -2.842 -0.033 189 1HG2 ILE 21 HG21 ILE 21 -14.674 0.604 0.298 190 2HG2 ILE 21 HG22 ILE 21 -13.278 -0.384 -0.072 191 3HG2 ILE 21 HG23 ILE 21 -14.320 -0.803 1.282 192 1HD1 ILE 21 HD1 ILE 21 -16.205 -3.511 -1.830 193 2HD1 ILE 21 HD2 ILE 21 -14.958 -4.635 -1.311 194 3HD1 ILE 21 HD3 ILE 21 -14.546 -3.293 -2.372 195 NH1 ARG 22 NH1 ARG 22 -13.066 5.770 4.797 196 NH2 ARG 22 NH2 ARG 22 -15.063 6.832 5.119 197 H ARG 22 HN ARG 22 -16.623 1.371 0.581 198 HA ARG 22 HA ARG 22 -16.433 0.567 3.363 199 1HB ARG 22 HB1 ARG 22 -17.105 3.075 3.682 200 2HB ARG 22 HB2 ARG 22 -17.063 3.181 1.927 201 1HG ARG 22 HG1 ARG 22 -14.726 2.362 1.934 202 2HG ARG 22 HG2 ARG 22 -14.769 2.262 3.691 203 1HD ARG 22 HD1 ARG 22 -15.404 4.845 2.254 204 2HD ARG 22 HD2 ARG 22 -13.746 4.404 2.657 205 HE ARG 22 HE ARG 22 -15.613 4.248 4.914 206 1HH1 ARG 22 HH11 ARG 22 -12.567 4.953 4.506 207 2HH1 ARG 22 HH12 ARG 22 -12.566 6.571 5.123 208 1HH2 ARG 22 HH21 ARG 22 -16.061 6.811 5.069 209 2HH2 ARG 22 HH22 ARG 22 -14.596 7.651 5.450 210 H THR 23 HN THR 23 -19.046 1.006 1.153 211 HA THR 23 HA THR 23 -21.088 1.531 3.099 212 HB THR 23 HB THR 23 -21.527 -0.013 0.475 213 HG1 THR 23 HG1 THR 23 -20.117 1.699 0.095 214 1HG2 THR 23 HG21 THR 23 -23.243 2.246 0.738 215 2HG2 THR 23 HG22 THR 23 -23.206 1.565 2.358 216 3HG2 THR 23 HG23 THR 23 -23.726 0.577 1.004 217 H HIS 24 HN HIS 24 -19.478 -1.396 2.075 218 HA HIS 24 HA HIS 24 -21.497 -3.201 3.151 219 1HB HIS 24 HB1 HIS 24 -19.473 -4.856 3.050 220 2HB HIS 24 HB2 HIS 24 -18.568 -3.519 2.346 221 HD1 HIS 24 HD1 HIS 24 -21.868 -5.191 1.603 222 HD2 HIS 24 HD2 HIS 24 -18.730 -3.491 -0.351 223 HE1 HIS 24 HE1 HIS 24 -22.366 -5.436 -0.808 224 H THR 25 HN THR 25 -20.149 -0.971 4.817 225 HA THR 25 HA THR 25 -19.011 -2.623 6.997 226 HB THR 25 HB THR 25 -18.541 -0.279 7.966 227 HG1 THR 25 HG1 THR 25 -18.962 1.280 6.123 228 1HG2 THR 25 HG21 THR 25 -17.710 -0.975 5.115 229 2HG2 THR 25 HG22 THR 25 -16.703 -1.004 6.558 230 3HG2 THR 25 HG23 THR 25 -17.180 0.535 5.851 231 H ASP 26 HN ASP 26 -20.484 0.263 7.916 232 HA ASP 26 HA ASP 26 -23.091 -0.876 8.556 233 1HB ASP 26 HB1 ASP 26 -22.627 -0.297 11.085 234 2HB ASP 26 HB2 ASP 26 -20.925 -0.410 10.643 235 H VAL 27 HN VAL 27 -21.881 1.328 7.137 236 HA VAL 27 HA VAL 27 -22.818 3.661 8.732 237 HB VAL 27 HB VAL 27 -20.557 3.765 7.719 238 1HG1 VAL 27 HG11 VAL 27 -21.089 2.216 5.817 239 2HG1 VAL 27 HG12 VAL 27 -20.233 3.664 5.312 240 3HG1 VAL 27 HG13 VAL 27 -21.964 3.523 5.042 241 1HG2 VAL 27 HG21 VAL 27 -22.580 5.694 7.469 242 2HG2 VAL 27 HG22 VAL 27 -21.796 5.673 5.894 243 3HG2 VAL 27 HG23 VAL 27 -20.847 5.980 7.344 244 NH1 ARG 28 NH1 ARG 28 -25.967 -1.683 1.587 245 NH2 ARG 28 NH2 ARG 28 -24.270 -2.765 2.670 246 H ARG 28 HN ARG 28 -24.821 2.012 7.797 247 HA ARG 28 HA ARG 28 -26.031 3.592 5.568 248 1HB ARG 28 HB1 ARG 28 -27.475 1.483 5.323 249 2HB ARG 28 HB2 ARG 28 -26.374 0.710 6.453 250 1HG ARG 28 HG1 ARG 28 -24.534 1.636 4.783 251 2HG ARG 28 HG2 ARG 28 -25.877 1.635 3.645 252 1HD ARG 28 HD1 ARG 28 -26.328 -0.778 4.401 253 2HD ARG 28 HD2 ARG 28 -24.751 -0.718 5.188 254 HE ARG 28 HE ARG 28 -24.043 0.035 2.712 255 1HH1 ARG 28 HH11 ARG 28 -26.489 -0.843 1.435 256 2HH1 ARG 28 HH12 ARG 28 -26.203 -2.516 1.084 257 1HH2 ARG 28 HH21 ARG 28 -23.520 -2.736 3.329 258 2HH2 ARG 28 HH22 ARG 28 -24.478 -3.615 2.185 259 HA PRO 29 HA PRO 29 -28.541 4.458 9.365 260 1HB PRO 29 HB1 PRO 29 -28.263 6.727 9.596 261 2HB PRO 29 HB2 PRO 29 -29.266 7.007 8.173 262 1HG PRO 29 HG1 PRO 29 -26.369 7.223 8.400 263 2HG PRO 29 HG2 PRO 29 -27.383 7.620 7.013 264 1HD PRO 29 HD1 PRO 29 -26.780 5.696 5.954 265 2HD PRO 29 HD2 PRO 29 -25.626 5.385 7.261 266 OH TYR 30 OH TYR 30 -30.447 10.478 3.891 267 H TYR 30 HN TYR 30 -29.287 4.936 5.950 268 HA TYR 30 HA TYR 30 -32.160 5.077 6.324 269 1HB TYR 30 HB1 TYR 30 -32.172 4.597 3.821 270 2HB TYR 30 HB2 TYR 30 -30.431 4.348 3.906 271 HD1 TYR 30 HD1 TYR 30 -33.047 6.879 4.778 272 HD2 TYR 30 HD2 TYR 30 -29.001 6.195 3.659 273 HE1 TYR 30 HE1 TYR 30 -32.694 9.297 4.572 274 HE2 TYR 30 HE2 TYR 30 -28.648 8.612 3.455 275 HH TYR 30 HH TYR 30 -29.561 10.674 4.203 276 H HIS 31 HN HIS 31 -33.409 3.442 6.983 277 HA HIS 31 HA HIS 31 -32.687 0.657 6.127 278 1HB HIS 31 HB1 HIS 31 -33.525 -0.130 8.333 279 2HB HIS 31 HB2 HIS 31 -33.924 1.524 8.785 280 HD1 HIS 31 HD1 HIS 31 -30.897 -0.422 7.892 281 HD2 HIS 31 HD2 HIS 31 -31.891 2.893 10.001 282 HE1 HIS 31 HE1 HIS 31 -28.834 0.275 8.965 283 H CYS 32 HN CYS 32 -34.332 -0.600 5.328 284 HA CYS 32 HA CYS 32 -36.771 0.712 4.545 285 1HB CYS 32 HB1 CYS 32 -35.843 -2.176 4.612 286 2HB CYS 32 HB2 CYS 32 -36.090 -1.158 3.217 287 H THR 33 HN THR 33 -38.756 0.763 5.477 288 HA THR 33 HA THR 33 -38.977 0.306 8.294 289 HB THR 33 HB THR 33 -41.272 0.523 6.252 290 HG1 THR 33 HG1 THR 33 -40.884 2.812 7.090 291 1HG2 THR 33 HG21 THR 33 -42.575 1.221 8.107 292 2HG2 THR 33 HG22 THR 33 -41.174 1.849 8.968 293 3HG2 THR 33 HG23 THR 33 -41.495 0.118 8.954 294 OH TYR 34 OH TYR 34 -44.987 -0.087 4.039 295 H TYR 34 HN TYR 34 -39.427 -1.754 5.573 296 HA TYR 34 HA TYR 34 -40.857 -3.765 7.230 297 1HB TYR 34 HB1 TYR 34 -41.324 -4.892 5.105 298 2HB TYR 34 HB2 TYR 34 -40.167 -3.878 4.257 299 HD1 TYR 34 HD2 TYR 34 -40.636 -1.286 4.326 300 HD2 TYR 34 HD1 TYR 34 -43.582 -4.234 5.187 301 HE1 TYR 34 HE2 TYR 34 -42.401 0.353 3.896 302 HE2 TYR 34 HE1 TYR 34 -45.348 -2.592 4.736 303 HH TYR 34 HH TYR 34 -44.692 0.764 4.370 304 H CYS 35 HN CYS 35 -38.436 -4.174 4.656 305 HA CYS 35 HA CYS 35 -37.315 -6.538 5.759 306 1HB CYS 35 HB1 CYS 35 -35.466 -6.182 4.231 307 2HB CYS 35 HB2 CYS 35 -35.761 -4.471 4.171 308 H ASN 36 HN ASN 36 -34.614 -6.136 5.807 309 HA ASN 36 HA ASN 36 -34.191 -4.398 8.201 310 1HB ASN 36 HB1 ASN 36 -33.081 -7.193 7.605 311 2HB ASN 36 HB2 ASN 36 -34.220 -6.786 8.885 312 1HD2 ASN 36 HD21 ASN 36 -33.401 -5.423 10.681 313 2HD2 ASN 36 HD22 ASN 36 -31.738 -5.363 11.013 314 H PHE 37 HN PHE 37 -33.550 -4.823 5.059 315 HA PHE 37 HA PHE 37 -30.687 -4.546 4.939 316 1HB PHE 37 HB1 PHE 37 -32.593 -3.445 2.848 317 2HB PHE 37 HB2 PHE 37 -32.439 -5.186 3.066 318 HD1 PHE 37 HD2 PHE 37 -30.094 -6.215 2.902 319 HD2 PHE 37 HD1 PHE 37 -30.935 -2.230 1.654 320 HE1 PHE 37 HE2 PHE 37 -28.028 -6.191 1.574 321 HE2 PHE 37 HE1 PHE 37 -28.867 -2.213 0.328 322 HZ PHE 37 HZ PHE 37 -27.414 -4.192 0.288 323 H SER 38 HN SER 38 -29.556 -2.618 4.181 324 HA SER 38 HA SER 38 -30.925 -0.081 4.832 325 1HB SER 38 HB1 SER 38 -28.160 -0.656 5.941 326 2HB SER 38 HB2 SER 38 -29.606 -1.114 6.851 327 HG SER 38 HG1 SER 38 -30.330 1.001 6.708 328 H PHE 39 HN PHE 39 -30.068 1.734 3.861 329 HA PHE 39 HA PHE 39 -27.953 1.202 1.811 330 1HB PHE 39 HB1 PHE 39 -29.204 2.519 0.275 331 2HB PHE 39 HB2 PHE 39 -30.110 3.311 1.562 332 HD1 PHE 39 HD2 PHE 39 -31.763 1.911 2.918 333 HD2 PHE 39 HD1 PHE 39 -30.031 0.502 -0.710 334 HE1 PHE 39 HE2 PHE 39 -33.555 0.245 2.704 335 HE2 PHE 39 HE1 PHE 39 -31.829 -1.158 -0.919 336 HZ PHE 39 HZ PHE 39 -33.593 -1.285 0.785 337 H LYS 40 HN LYS 40 -26.666 3.035 1.205 338 HA LYS 40 HA LYS 40 -26.006 4.711 3.523 339 1HB LYS 40 HB1 LYS 40 -24.776 4.246 0.769 340 2HB LYS 40 HB2 LYS 40 -24.166 3.688 2.311 341 1HG LYS 40 HG1 LYS 40 -24.280 6.597 1.415 342 2HG LYS 40 HG2 LYS 40 -22.839 5.601 1.502 343 1HD LYS 40 HD1 LYS 40 -23.330 5.268 3.967 344 2HD LYS 40 HD2 LYS 40 -24.565 6.510 3.818 345 1HE LYS 40 HE1 LYS 40 -21.620 6.846 3.167 346 2HE LYS 40 HE2 LYS 40 -22.443 7.507 4.573 347 1HZ LYS 40 HZ1 LYS 40 -23.952 8.633 2.890 348 2HZ LYS 40 HZ2 LYS 40 -22.766 8.253 1.737 349 3HZ LYS 40 HZ3 LYS 40 -22.377 9.245 3.059 350 H THR 41 HN THR 41 -27.816 4.985 0.635 351 HA THR 41 HA THR 41 -27.973 7.945 1.057 352 HB THR 41 HB THR 41 -27.900 8.308 -1.340 353 HG1 THR 41 HG1 THR 41 -28.393 6.637 -2.692 354 1HG2 THR 41 HG21 THR 41 -26.191 5.779 -1.010 355 2HG2 THR 41 HG22 THR 41 -25.666 7.327 -0.357 356 3HG2 THR 41 HG23 THR 41 -25.880 7.132 -2.093 357 H LYS 42 HN LYS 42 -29.926 8.927 0.410 358 HA LYS 42 HA LYS 42 -32.233 7.330 1.058 359 1HB LYS 42 HB1 LYS 42 -32.206 10.128 -0.144 360 2HB LYS 42 HB2 LYS 42 -31.856 9.840 1.554 361 1HG LYS 42 HG1 LYS 42 -34.039 8.970 1.965 362 2HG LYS 42 HG2 LYS 42 -34.376 8.792 0.247 363 1HD LYS 42 HD1 LYS 42 -33.674 11.534 1.151 364 2HD LYS 42 HD2 LYS 42 -35.225 10.917 1.708 365 1HE LYS 42 HE1 LYS 42 -35.247 12.139 -0.545 366 2HE LYS 42 HE2 LYS 42 -35.992 10.546 -0.525 367 1HZ LYS 42 HZ1 LYS 42 -34.547 10.822 -2.430 368 2HZ LYS 42 HZ2 LYS 42 -33.951 9.610 -1.401 369 3HZ LYS 42 HZ3 LYS 42 -33.226 11.146 -1.414 370 H GLY 43 HN GLY 43 -30.622 8.286 -1.833 371 1HA GLY 43 HA1 GLY 43 -31.074 7.772 -4.080 372 2HA GLY 43 HA2 GLY 43 -32.750 8.170 -3.706 373 H ASN 44 HN ASN 44 -30.510 5.577 -2.753 374 HA ASN 44 HA ASN 44 -31.790 3.510 -4.171 375 1HB ASN 44 HB1 ASN 44 -30.713 2.040 -2.320 376 2HB ASN 44 HB2 ASN 44 -30.150 3.547 -1.607 377 1HD2 ASN 44 HD21 ASN 44 -27.900 3.122 -2.078 378 2HD2 ASN 44 HD22 ASN 44 -27.295 3.140 -3.664 379 H LEU 45 HN LEU 45 -32.506 4.932 -1.046 380 HA LEU 45 HA LEU 45 -34.252 2.942 -0.039 381 1HB LEU 45 HB1 LEU 45 -34.781 5.924 0.246 382 2HB LEU 45 HB2 LEU 45 -33.367 5.216 1.003 383 HG LEU 45 HG LEU 45 -35.310 5.336 2.564 384 1HD1 LEU 45 HD11 LEU 45 -37.337 4.154 2.192 385 2HD1 LEU 45 HD12 LEU 45 -36.671 3.235 0.851 386 3HD1 LEU 45 HD13 LEU 45 -37.005 4.950 0.660 387 1HD2 LEU 45 HD21 LEU 45 -34.778 3.336 3.573 388 2HD2 LEU 45 HD22 LEU 45 -33.528 3.323 2.339 389 3HD2 LEU 45 HD23 LEU 45 -34.999 2.397 2.105 390 H THR 46 HN THR 46 -35.151 5.953 -1.729 391 HA THR 46 HA THR 46 -37.866 5.324 -2.115 392 HB THR 46 HB THR 46 -36.049 6.817 -4.103 393 HG1 THR 46 HG1 THR 46 -37.119 8.517 -2.595 394 1HG2 THR 46 HG21 THR 46 -38.517 6.414 -4.751 395 2HG2 THR 46 HG22 THR 46 -38.123 8.116 -4.531 396 3HG2 THR 46 HG23 THR 46 -38.975 7.239 -3.264 397 H LYS 47 HN LYS 47 -35.027 4.291 -3.876 398 HA LYS 47 HA LYS 47 -36.429 3.174 -6.128 399 1HB LYS 47 HB1 LYS 47 -33.805 2.107 -5.021 400 2HB LYS 47 HB2 LYS 47 -33.873 3.681 -5.806 401 1HG LYS 47 HG1 LYS 47 -35.171 1.389 -7.216 402 2HG LYS 47 HG2 LYS 47 -33.411 1.430 -7.194 403 1HD LYS 47 HD1 LYS 47 -33.385 3.642 -8.187 404 2HD LYS 47 HD2 LYS 47 -35.131 3.787 -8.025 405 1HE LYS 47 HE1 LYS 47 -34.132 3.075 -10.340 406 2HE LYS 47 HE2 LYS 47 -35.550 2.230 -9.731 407 1HZ LYS 47 HZ1 LYS 47 -33.820 0.732 -10.565 408 2HZ LYS 47 HZ2 LYS 47 -34.165 0.471 -8.923 409 3HZ LYS 47 HZ3 LYS 47 -32.755 1.305 -9.372 410 H HIS 48 HN HIS 48 -35.225 1.752 -3.097 411 HA HIS 48 HA HIS 48 -36.035 -0.922 -3.684 412 1HB HIS 48 HB1 HIS 48 -35.707 0.577 -1.039 413 2HB HIS 48 HB2 HIS 48 -34.533 -0.490 -1.805 414 HD1 HIS 48 HD1 HIS 48 -35.950 -2.951 -2.284 415 HD2 HIS 48 HD2 HIS 48 -36.898 -0.769 1.040 416 HE1 HIS 48 HE1 HIS 48 -37.021 -4.532 -0.754 417 H MET 49 HN MET 49 -37.746 1.776 -2.175 418 HA MET 49 HA MET 49 -40.104 0.148 -1.619 419 1HB MET 49 HB1 MET 49 -41.092 2.573 -1.286 420 2HB MET 49 HB2 MET 49 -39.427 3.106 -1.481 421 1HG MET 49 HG1 MET 49 -38.781 1.454 0.304 422 2HG MET 49 HG2 MET 49 -40.477 1.139 0.558 423 1HE MET 49 HE1 MET 49 -38.387 2.310 3.191 424 2HE MET 49 HE2 MET 49 -39.653 1.171 2.739 425 3HE MET 49 HE3 MET 49 -40.029 2.535 3.790 426 H LYS 50 HN LYS 50 -38.864 1.804 -4.331 427 HA LYS 50 HA LYS 50 -41.300 2.554 -5.623 428 1HB LYS 50 HB1 LYS 50 -38.751 1.555 -6.978 429 2HB LYS 50 HB2 LYS 50 -38.902 3.175 -6.309 430 1HG LYS 50 HG1 LYS 50 -40.764 3.673 -7.800 431 2HG LYS 50 HG2 LYS 50 -40.788 2.014 -8.385 432 1HD LYS 50 HD1 LYS 50 -38.599 2.271 -9.396 433 2HD LYS 50 HD2 LYS 50 -38.390 3.853 -8.654 434 1HE LYS 50 HE1 LYS 50 -40.623 3.191 -10.598 435 2HE LYS 50 HE2 LYS 50 -39.104 3.936 -11.078 436 1HZ LYS 50 HZ1 LYS 50 -41.380 5.159 -10.005 437 2HZ LYS 50 HZ2 LYS 50 -39.927 5.883 -10.505 438 3HZ LYS 50 HZ3 LYS 50 -40.106 5.359 -8.900 439 H SER 51 HN SER 51 -39.441 -0.455 -5.632 440 HA SER 51 HA SER 51 -40.882 -1.838 -7.629 441 1HB SER 51 HB1 SER 51 -39.718 -2.959 -5.018 442 2HB SER 51 HB2 SER 51 -38.815 -2.744 -6.531 443 HG SER 51 HG1 SER 51 -40.988 -4.448 -5.968 444 H LYS 52 HN LYS 52 -42.250 -3.881 -6.963 445 HA LYS 52 HA LYS 52 -44.577 -2.771 -5.510 446 1HB LYS 52 HB1 LYS 52 -45.359 -3.798 -7.466 447 2HB LYS 52 HB2 LYS 52 -45.470 -5.166 -6.365 448 1HG LYS 52 HG1 LYS 52 -43.101 -5.780 -7.064 449 2HG LYS 52 HG2 LYS 52 -43.239 -4.559 -8.323 450 1HD LYS 52 HD1 LYS 52 -45.319 -5.723 -9.136 451 2HD LYS 52 HD2 LYS 52 -45.009 -6.999 -7.964 452 1HE LYS 52 HE1 LYS 52 -43.360 -6.220 -10.370 453 2HE LYS 52 HE2 LYS 52 -44.006 -7.802 -9.954 454 1HZ LYS 52 HZ1 LYS 52 -41.671 -6.402 -8.861 455 2HZ LYS 52 HZ2 LYS 52 -41.827 -8.019 -9.360 456 3HZ LYS 52 HZ3 LYS 52 -42.498 -7.519 -7.883 457 H ALA 53 HN ALA 53 -41.902 -4.325 -4.575 458 HA ALA 53 HA ALA 53 -42.528 -6.613 -3.159 459 1HB ALA 53 HB1 ALA 53 -40.880 -5.741 -1.403 460 2HB ALA 53 HB2 ALA 53 -40.888 -4.198 -2.251 461 3HB ALA 53 HB3 ALA 53 -40.280 -5.641 -3.055 462 H HIS 54 HN HIS 54 -42.236 -3.825 -1.069 463 HA HIS 54 HA HIS 54 -45.039 -4.196 -0.153 464 1HB HIS 54 HB1 HIS 54 -44.014 -5.527 1.488 465 2HB HIS 54 HB2 HIS 54 -43.895 -3.950 2.257 466 HD1 HIS 54 HD1 HIS 54 -41.821 -6.560 0.807 467 HD2 HIS 54 HD2 HIS 54 -41.252 -2.735 2.133 468 HE1 HIS 54 HE1 HIS 54 -39.403 -6.327 1.117 469 H SER 55 HN SER 55 -45.086 -2.138 -1.363 470 HA SER 55 HA SER 55 -45.122 0.066 0.457 471 1HB SER 55 HB1 SER 55 -42.788 -0.091 -1.523 472 2HB SER 55 HB2 SER 55 -42.695 0.146 0.233 473 HG SER 55 HG1 SER 55 -43.303 2.165 0.008 474 H LYS 56 HN LYS 56 -47.087 0.597 -0.356 475 HA LYS 56 HA LYS 56 -47.966 0.517 -3.002 476 1HB LYS 56 HB1 LYS 56 -49.498 2.452 -2.292 477 2HB LYS 56 HB2 LYS 56 -48.599 2.514 -0.781 478 1HG LYS 56 HG1 LYS 56 -50.098 0.970 -0.045 479 2HG LYS 56 HG2 LYS 56 -49.165 -0.176 -1.000 480 1HD LYS 56 HD1 LYS 56 -50.627 0.276 -2.955 481 2HD LYS 56 HD2 LYS 56 -51.571 1.398 -1.981 482 1HE LYS 56 HE1 LYS 56 -52.597 -0.888 -2.106 483 2HE LYS 56 HE2 LYS 56 -52.221 -0.393 -0.460 484 1HZ LYS 56 HZ1 LYS 56 -50.197 -1.676 -0.552 485 2HZ LYS 56 HZ2 LYS 56 -50.516 -2.126 -2.158 486 3HZ LYS 56 HZ3 LYS 56 -51.532 -2.664 -0.908 487 H LYS 57 HN LYS 57 -47.225 3.653 -1.533 488 HA LYS 57 HA LYS 57 -46.706 4.875 -4.048 489 1HB LYS 57 HB1 LYS 57 -45.671 5.769 -1.319 490 2HB LYS 57 HB2 LYS 57 -47.321 6.052 -1.866 491 1HG LYS 57 HG1 LYS 57 -46.309 7.182 -3.924 492 2HG LYS 57 HG2 LYS 57 -44.759 7.112 -3.095 493 1HD LYS 57 HD1 LYS 57 -45.595 8.470 -1.272 494 2HD LYS 57 HD2 LYS 57 -47.240 8.382 -1.892 495 1HE LYS 57 HE1 LYS 57 -44.895 9.664 -3.334 496 2HE LYS 57 HE2 LYS 57 -46.159 10.540 -2.479 497 1HZ LYS 57 HZ1 LYS 57 -47.274 10.520 -4.371 498 2HZ LYS 57 HZ2 LYS 57 -47.491 8.847 -4.169 499 3HZ LYS 57 LYS 57 -46.191 9.429 -5.094 Start of MODEL 8 Raw file had 499 H/Q atoms Start of MODEL 8 1 1H LYS 1 HT1 LYS 1 -7.526 -3.312 -10.722 2 2H LYS 1 HT2 LYS 1 -8.410 -2.149 -9.855 3 3H LYS 1 HT3 LYS 1 -8.824 -2.505 -11.463 4 HA LYS 1 HA LYS 1 -9.868 -4.426 -10.961 5 1HB LYS 1 HB1 LYS 1 -8.017 -5.606 -9.922 6 2HB LYS 1 HB2 LYS 1 -9.320 -5.631 -8.740 7 1HG LYS 1 HG1 LYS 1 -8.192 -3.344 -7.962 8 2HG LYS 1 HG2 LYS 1 -6.771 -4.050 -8.722 9 1HD LYS 1 HD1 LYS 1 -7.042 -6.086 -7.341 10 2HD LYS 1 HD2 LYS 1 -8.463 -5.380 -6.578 11 1HE LYS 1 HE1 LYS 1 -7.028 -3.460 -5.821 12 2HE LYS 1 HE2 LYS 1 -5.626 -4.309 -6.459 13 1HZ LYS 1 HZ1 LYS 1 -6.390 -4.556 -3.972 14 2HZ LYS 1 HZ2 LYS 1 -5.685 -5.846 -4.821 15 3HZ LYS 1 HZ3 LYS 1 -7.371 -5.773 -4.636 16 OH TYR 2 OH TYR 2 -7.360 2.288 -8.710 17 H TYR 2 HN TYR 2 -11.029 -2.113 -10.681 18 HA TYR 2 HA TYR 2 -12.031 -1.837 -7.902 19 1HB TYR 2 HB1 TYR 2 -13.116 0.205 -8.754 20 2HB TYR 2 HB2 TYR 2 -12.688 -0.219 -10.409 21 HD1 TYR 2 HD2 TYR 2 -11.260 0.655 -7.093 22 HD2 TYR 2 HD1 TYR 2 -10.514 0.283 -11.263 23 HE1 TYR 2 HE2 TYR 2 -9.104 1.784 -6.809 24 HE2 TYR 2 HE1 TYR 2 -8.347 1.391 -10.974 25 HH TYR 2 HH TYR 2 -7.524 3.225 -8.581 26 H ILE 3 HN ILE 3 -12.957 -4.098 -8.379 27 HA ILE 3 HA ILE 3 -15.783 -3.708 -9.251 28 HB ILE 3 HB ILE 3 -14.206 -6.270 -9.738 29 1HG1 ILE 3 HG11 ILE 3 -13.048 -4.507 -10.966 30 2HG1 ILE 3 HG12 ILE 3 -14.572 -3.907 -11.612 31 1HG2 ILE 3 HG21 ILE 3 -16.060 -6.823 -11.166 32 2HG2 ILE 3 HG22 ILE 3 -16.589 -5.147 -11.272 33 3HG2 ILE 3 HG23 ILE 3 -16.824 -6.053 -9.779 34 1HD1 ILE 3 HD1 ILE 3 -14.888 -5.832 -12.963 35 2HD1 ILE 3 HD2 ILE 3 -13.714 -6.773 -12.048 36 3HD1 ILE 3 HD3 ILE 3 -13.168 -5.487 -13.121 37 H CYS 4 HN CYS 4 -16.868 -3.884 -7.359 38 HA CYS 4 HA CYS 4 -15.894 -5.328 -5.118 39 1HB CYS 4 HB1 CYS 4 -18.736 -4.599 -5.880 40 2HB CYS 4 HB2 CYS 4 -17.667 -3.664 -4.870 41 H GLU 5 HN GLU 5 -15.413 -7.392 -5.209 42 HA GLU 5 HA GLU 5 -16.578 -9.312 -6.919 43 1HB GLU 5 HB1 GLU 5 -15.653 -10.943 -5.067 44 2HB GLU 5 HB2 GLU 5 -15.036 -9.478 -4.312 45 1HG GLU 5 HG1 GLU 5 -14.029 -8.934 -6.640 46 2HG GLU 5 HG2 GLU 5 -14.337 -10.627 -7.020 47 H GLU 6 HN GLU 6 -17.764 -7.976 -3.974 48 HA GLU 6 HA GLU 6 -19.505 -10.214 -3.370 49 1HB GLU 6 HB1 GLU 6 -19.898 -7.404 -2.328 50 2HB GLU 6 HB2 GLU 6 -18.532 -8.355 -1.766 51 1HG GLU 6 HG1 GLU 6 -21.348 -9.459 -1.726 52 2HG GLU 6 HG2 GLU 6 -20.711 -8.510 -0.386 53 H CYS 7 HN CYS 7 -20.259 -6.813 -4.159 54 HA CYS 7 HA CYS 7 -22.919 -7.629 -5.080 55 1HB CYS 7 HB1 CYS 7 -23.299 -5.284 -5.446 56 2HB CYS 7 HB2 CYS 7 -21.596 -4.941 -5.524 57 H GLY 8 HN GLY 8 -20.132 -6.016 -6.574 58 1HA GLY 8 HA1 GLY 8 -20.982 -7.161 -9.206 59 2HA GLY 8 HA2 GLY 8 -19.296 -6.968 -8.740 60 H ILE 9 HN ILE 9 -20.248 -4.333 -7.419 61 HA ILE 9 HA ILE 9 -21.138 -2.613 -9.484 62 HB ILE 9 HB ILE 9 -20.965 -2.193 -6.910 63 1HG1 ILE 9 HG11 ILE 9 -20.466 -0.253 -9.138 64 2HG1 ILE 9 HG12 ILE 9 -20.343 0.333 -7.483 65 1HG2 ILE 9 HG21 ILE 9 -18.380 -2.611 -7.037 66 2HG2 ILE 9 HG22 ILE 9 -18.905 -1.218 -6.113 67 3HG2 ILE 9 HG23 ILE 9 -18.272 -0.999 -7.736 68 1HD1 ILE 9 HD1 ILE 9 -22.591 -0.162 -7.004 69 2HD1 ILE 9 HD2 ILE 9 -22.712 -1.333 -8.313 70 3HD1 ILE 9 HD3 ILE 9 -22.679 0.390 -8.673 71 NH1 ARG 10 NH1 ARG 10 -18.180 -1.915 -18.016 72 NH2 ARG 10 NH2 ARG 10 -18.003 -4.186 -17.820 73 H ARG 10 HN ARG 10 -20.143 -1.736 -11.173 74 HA ARG 10 HA ARG 10 -17.229 -2.227 -11.479 75 1HB ARG 10 HB1 ARG 10 -19.342 -1.289 -13.478 76 2HB ARG 10 HB2 ARG 10 -18.805 -2.950 -13.290 77 1HG ARG 10 HG1 ARG 10 -16.427 -1.498 -13.565 78 2HG ARG 10 HG2 ARG 10 -17.521 -0.731 -14.708 79 1HD ARG 10 HD1 ARG 10 -17.026 -3.729 -14.561 80 2HD ARG 10 HD2 ARG 10 -16.263 -2.647 -15.722 81 HE ARG 10 HE ARG 10 -19.239 -2.899 -15.616 82 1HH1 ARG 10 HH11 ARG 10 -18.313 -1.026 -17.579 83 2HH1 ARG 10 HH12 ARG 10 -18.053 -1.973 -19.007 84 1HH2 ARG 10 HH21 ARG 10 -18.002 -4.998 -17.236 85 2HH2 ARG 10 HH22 ARG 10 -17.873 -4.280 -18.807 86 H ABA 11 HN ABU 11 -16.454 -0.538 -10.168 87 HA ABA 11 HA ABU 11 -16.996 2.221 -11.217 88 1HB ABA 11 HB1 ABU 11 -16.060 2.868 -8.880 89 2HB ABA 11 HB2 ABU 11 -16.240 1.174 -8.465 90 1HG ABA 11 HG1 ABU 11 -18.247 2.512 -7.825 91 2HG ABA 11 HG2 ABU 11 -18.629 1.254 -8.996 92 3HG ABA 11 HG3 ABU 11 -18.479 2.926 -9.522 93 H LYS 12 HN LYS 12 -15.380 1.597 -12.853 94 HA LYS 12 HA LYS 12 -12.754 0.908 -12.578 95 1HB LYS 12 HB1 LYS 12 -12.335 2.733 -14.413 96 2HB LYS 12 HB2 LYS 12 -14.058 3.063 -14.271 97 1HG LYS 12 HG1 LYS 12 -14.295 0.453 -14.526 98 2HG LYS 12 HG2 LYS 12 -12.683 0.562 -15.224 99 1HD LYS 12 HD1 LYS 12 -15.111 2.136 -16.150 100 2HD LYS 12 HD2 LYS 12 -14.421 0.744 -16.978 101 1HE LYS 12 HE1 LYS 12 -13.132 3.448 -16.524 102 2HE LYS 12 HE2 LYS 12 -13.524 2.693 -18.063 103 1HZ LYS 12 HZ1 LYS 12 -11.895 0.982 -17.613 104 2HZ LYS 12 HZ2 LYS 12 -11.526 1.690 -16.114 105 3HZ LYS 12 HZ3 LYS 12 -11.176 2.519 -17.554 106 H LYS 13 HN LYS 13 -14.142 3.927 -11.460 107 HA LYS 13 HA LYS 13 -11.449 4.994 -10.916 108 1HB LYS 13 HB1 LYS 13 -12.777 7.023 -10.132 109 2HB LYS 13 HB2 LYS 13 -14.246 6.141 -10.527 110 1HG LYS 13 HG1 LYS 13 -13.319 5.842 -12.872 111 2HG LYS 13 HG2 LYS 13 -12.029 6.954 -12.437 112 1HD LYS 13 HD1 LYS 13 -14.997 7.600 -12.257 113 2HD LYS 13 HD2 LYS 13 -13.955 8.086 -13.588 114 1HE LYS 13 HE1 LYS 13 -12.513 8.966 -11.412 115 2HE LYS 13 HE2 LYS 13 -14.164 9.203 -10.861 116 1HZ LYS 13 HZ1 LYS 13 -12.744 10.850 -12.511 117 2HZ LYS 13 HZ2 LYS 13 -14.415 10.911 -12.224 118 3HZ LYS 13 HZ3 LYS 13 -13.814 10.050 -13.559 119 HA PRO 14 HA PRO 14 -11.356 3.674 -6.676 120 1HB PRO 14 HB1 PRO 14 -9.314 4.584 -6.112 121 2HB PRO 14 HB2 PRO 14 -10.156 6.045 -5.593 122 1HG PRO 14 HG1 PRO 14 -8.386 5.845 -7.797 123 2HG PRO 14 HG2 PRO 14 -9.474 7.195 -7.466 124 1HD PRO 14 HD1 PRO 14 -10.592 6.626 -9.386 125 2HD PRO 14 HD2 PRO 14 -9.690 5.105 -9.510 126 H SER 15 HN SER 15 -11.680 7.215 -6.458 127 HA SER 15 HA SER 15 -13.191 7.588 -4.256 128 1HB SER 15 HB1 SER 15 -12.656 9.398 -5.947 129 2HB SER 15 HB2 SER 15 -14.357 9.476 -5.447 130 HG SER 15 HG1 SER 15 -14.922 8.307 -7.262 131 H MET 16 HN MET 16 -14.609 6.505 -7.331 132 HA MET 16 HA MET 16 -17.272 6.298 -6.271 133 1HB MET 16 HB1 MET 16 -17.466 4.664 -8.332 134 2HB MET 16 HB2 MET 16 -15.818 5.168 -8.684 135 1HG MET 16 HG1 MET 16 -16.553 7.529 -8.618 136 2HG MET 16 HG2 MET 16 -18.189 7.008 -8.318 137 1HE MET 16 HE1 MET 16 -18.303 9.009 -10.232 138 2HE MET 16 HE2 MET 16 -19.627 7.869 -9.992 139 3HE MET 16 HE3 MET 16 -19.115 8.294 -11.626 140 H LEU 17 HN LEU 17 -14.738 3.839 -6.851 141 HA LEU 17 HA LEU 17 -16.291 1.718 -5.660 142 1HB LEU 17 HB1 LEU 17 -13.241 1.828 -5.849 143 2HB LEU 17 HB2 LEU 17 -14.227 1.571 -7.270 144 HG LEU 17 HG LEU 17 -13.283 -0.544 -6.127 145 1HD1 LEU 17 HD11 LEU 17 -15.543 -0.073 -4.186 146 2HD1 LEU 17 HD12 LEU 17 -13.848 0.225 -3.804 147 3HD1 LEU 17 HD13 LEU 17 -14.394 -1.399 -4.191 148 1HD2 LEU 17 HD21 LEU 17 -15.103 -0.716 -7.763 149 2HD2 LEU 17 HD22 LEU 17 -16.291 -0.378 -6.515 150 3HD2 LEU 17 HD23 LEU 17 -15.354 -1.860 -6.456 151 H LYS 18 HN LYS 18 -13.392 3.433 -4.510 152 HA LYS 18 HA LYS 18 -13.028 2.572 -1.982 153 1HB LYS 18 HB1 LYS 18 -12.668 5.036 -1.315 154 2HB LYS 18 HB2 LYS 18 -13.265 5.469 -2.912 155 1HG LYS 18 HG1 LYS 18 -11.487 4.091 -3.951 156 2HG LYS 18 HG2 LYS 18 -10.883 3.665 -2.356 157 1HD LYS 18 HD1 LYS 18 -11.071 6.493 -3.456 158 2HD LYS 18 HD2 LYS 18 -9.592 5.545 -3.366 159 1HE LYS 18 HE1 LYS 18 -9.399 6.676 -1.360 160 2HE LYS 18 HE2 LYS 18 -10.365 5.317 -0.799 161 1HZ LYS 18 HZ1 LYS 18 -11.104 8.095 -1.157 162 2HZ LYS 18 HZ2 LYS 18 -11.692 6.942 -0.056 163 3HZ LYS 18 HZ3 LYS 18 -12.268 6.963 -1.654 164 H LYS 19 HN LYS 19 -15.539 4.967 -2.782 165 HA LYS 19 HA LYS 19 -16.638 4.989 -0.152 166 1HB LYS 19 HB1 LYS 19 -18.747 5.730 -1.731 167 2HB LYS 19 HB2 LYS 19 -17.425 5.961 -2.870 168 1HG LYS 19 HG1 LYS 19 -17.654 7.183 -0.099 169 2HG LYS 19 HG2 LYS 19 -17.781 8.039 -1.631 170 1HD LYS 19 HD1 LYS 19 -15.385 6.880 -2.017 171 2HD LYS 19 HD2 LYS 19 -15.361 6.955 -0.259 172 1HE LYS 19 HE1 LYS 19 -15.991 9.401 -0.441 173 2HE LYS 19 HE2 LYS 19 -15.753 9.269 -2.180 174 1HZ LYS 19 HZ1 LYS 19 -13.470 8.506 -1.718 175 2HZ LYS 19 HZ2 LYS 19 -13.724 8.818 -0.068 176 3HZ LYS 19 HZ3 LYS 19 -13.769 10.092 -1.190 177 H HIS 20 HN HIS 20 -17.392 3.140 -3.061 178 HA HIS 20 HA HIS 20 -19.759 1.908 -2.053 179 1HB HIS 20 HB1 HIS 20 -17.693 0.871 -4.045 180 2HB HIS 20 HB2 HIS 20 -19.148 1.778 -4.454 181 HD1 HIS 20 HD1 HIS 20 -21.128 0.288 -4.815 182 HD2 HIS 20 HD2 HIS 20 -18.216 -1.671 -2.755 183 HE1 HIS 20 HE1 HIS 20 -21.981 -1.988 -4.498 184 H ILE 21 HN ILE 21 -16.380 0.724 -2.094 185 HA ILE 21 HA ILE 21 -16.950 -1.717 -0.795 186 HB ILE 21 HB ILE 21 -14.662 -0.684 -1.804 187 1HG1 ILE 21 HG11 ILE 21 -14.890 -2.717 0.447 188 2HG1 ILE 21 HG12 ILE 21 -13.432 -2.484 -0.507 189 1HG2 ILE 21 HG21 ILE 21 -14.155 -0.536 1.203 190 2HG2 ILE 21 HG22 ILE 21 -14.596 0.894 0.290 191 3HG2 ILE 21 HG23 ILE 21 -13.122 0.036 -0.100 192 1HD1 ILE 21 HD1 ILE 21 -15.566 -2.729 -2.371 193 2HD1 ILE 21 HD2 ILE 21 -15.802 -3.998 -1.175 194 3HD1 ILE 21 HD3 ILE 21 -14.283 -3.891 -2.058 195 NH1 ARG 22 NH1 ARG 22 -12.520 5.485 1.958 196 NH2 ARG 22 NH2 ARG 22 -12.581 6.581 3.964 197 H ARG 22 HN ARG 22 -16.672 1.513 0.492 198 HA ARG 22 HA ARG 22 -16.409 0.651 3.250 199 1HB ARG 22 HB1 ARG 22 -17.352 3.083 3.619 200 2HB ARG 22 HB2 ARG 22 -17.211 3.237 1.874 201 1HG ARG 22 HG1 ARG 22 -14.820 2.589 2.015 202 2HG ARG 22 HG2 ARG 22 -14.964 2.472 3.764 203 1HD ARG 22 HD1 ARG 22 -15.854 4.935 3.604 204 2HD ARG 22 HD2 ARG 22 -15.072 4.930 2.024 205 HE ARG 22 HE ARG 22 -13.500 4.152 4.438 206 1HH1 ARG 22 HH11 ARG 22 -12.817 4.715 1.394 207 2HH1 ARG 22 HH12 ARG 22 -11.897 6.170 1.580 208 1HH2 ARG 22 HH21 ARG 22 -12.925 6.631 4.902 209 2HH2 ARG 22 HH22 ARG 22 -11.959 7.284 3.621 210 H THR 23 HN THR 23 -19.150 1.436 1.170 211 HA THR 23 HA THR 23 -21.217 1.563 3.023 212 HB THR 23 HB THR 23 -21.470 -0.128 0.477 213 HG1 THR 23 HG1 THR 23 -20.326 1.657 -0.119 214 1HG2 THR 23 HG21 THR 23 -23.460 0.508 2.127 215 2HG2 THR 23 HG22 THR 23 -23.685 0.859 0.416 216 3HG2 THR 23 HG23 THR 23 -23.226 2.147 1.525 217 H HIS 24 HN HIS 24 -19.254 -1.179 2.212 218 HA HIS 24 HA HIS 24 -21.144 -3.093 3.406 219 1HB HIS 24 HB1 HIS 24 -19.071 -4.643 3.225 220 2HB HIS 24 HB2 HIS 24 -18.238 -3.285 2.474 221 HD1 HIS 24 HD1 HIS 24 -21.455 -5.145 1.885 222 HD2 HIS 24 HD2 HIS 24 -18.569 -3.202 -0.238 223 HE1 HIS 24 HE1 HIS 24 -22.067 -5.434 -0.490 224 H THR 25 HN THR 25 -19.922 -0.712 4.869 225 HA THR 25 HA THR 25 -18.497 -2.094 7.066 226 HB THR 25 HB THR 25 -18.394 0.389 7.919 227 HG1 THR 25 HG1 THR 25 -18.818 1.659 5.831 228 1HG2 THR 25 HG21 THR 25 -17.175 -0.703 5.397 229 2HG2 THR 25 HG22 THR 25 -16.359 0.003 6.790 230 3HG2 THR 25 HG23 THR 25 -17.106 1.047 5.583 231 H ASP 26 HN ASP 26 -20.259 0.657 7.912 232 HA ASP 26 HA ASP 26 -22.560 -0.881 8.920 233 1HB ASP 26 HB1 ASP 26 -22.136 0.282 11.226 234 2HB ASP 26 HB2 ASP 26 -20.496 0.552 10.640 235 H VAL 27 HN VAL 27 -21.954 1.243 7.008 236 HA VAL 27 HA VAL 27 -23.372 3.565 8.184 237 HB VAL 27 HB VAL 27 -21.302 4.015 6.919 238 1HG1 VAL 27 HG11 VAL 27 -21.346 1.980 5.527 239 2HG1 VAL 27 HG12 VAL 27 -21.121 3.415 4.537 240 3HG1 VAL 27 HG13 VAL 27 -22.695 2.633 4.613 241 1HG2 VAL 27 HG21 VAL 27 -23.726 5.271 6.475 242 2HG2 VAL 27 HG22 VAL 27 -23.178 4.919 4.839 243 3HG2 VAL 27 HG23 VAL 27 -22.167 5.872 5.921 244 NH1 ARG 28 NH2 ARG 28 -24.175 -4.193 5.455 245 NH2 ARG 28 NH1 ARG 28 -23.115 -3.505 7.359 246 H ARG 28 HN ARG 28 -24.885 1.312 7.853 247 HA ARG 28 HA ARG 28 -26.691 1.990 5.588 248 1HB ARG 28 HB1 ARG 28 -27.386 -0.469 5.840 249 2HB ARG 28 HB2 ARG 28 -26.021 -0.646 6.930 250 1HG ARG 28 HG1 ARG 28 -24.623 0.394 4.991 251 2HG ARG 28 HG2 ARG 28 -25.996 -0.024 3.977 252 1HD ARG 28 HD1 ARG 28 -24.323 -1.853 3.988 253 2HD ARG 28 HD2 ARG 28 -25.833 -2.383 4.730 254 HE ARG 28 HE ARG 28 -24.084 -1.337 6.755 255 1HH1 ARG 28 HH21 ARG 28 -24.735 -3.969 4.658 256 2HH1 ARG 28 HH22 ARG 28 -23.869 -5.134 5.602 257 1HH2 ARG 28 HH11 ARG 28 -22.880 -2.764 7.987 258 2HH2 ARG 28 HH12 ARG 28 -22.791 -4.434 7.537 259 HA PRO 29 HA PRO 29 -28.952 2.772 9.569 260 1HB PRO 29 HB1 PRO 29 -29.393 5.018 9.426 261 2HB PRO 29 HB2 PRO 29 -30.552 4.729 8.128 262 1HG PRO 29 HG1 PRO 29 -27.852 5.811 7.924 263 2HG PRO 29 HG2 PRO 29 -29.061 5.650 6.649 264 1HD PRO 29 HD1 PRO 29 -28.000 3.825 5.800 265 2HD PRO 29 HD2 PRO 29 -26.687 4.093 6.960 266 OH TYR 30 OH TYR 30 -33.210 5.870 4.348 267 H TYR 30 HN TYR 30 -29.560 0.853 7.272 268 HA TYR 30 HA TYR 30 -32.512 0.731 7.767 269 1HB TYR 30 HB1 TYR 30 -32.730 -0.150 5.400 270 2HB TYR 30 HB2 TYR 30 -31.025 0.190 5.149 271 HD1 TYR 30 HD1 TYR 30 -34.087 1.944 6.428 272 HD2 TYR 30 HD2 TYR 30 -30.499 2.254 4.161 273 HE1 TYR 30 HE1 TYR 30 -34.652 4.257 5.839 274 HE2 TYR 30 HE2 TYR 30 -31.064 4.565 3.581 275 HH TYR 30 HH TYR 30 -33.928 5.851 3.712 276 H HIS 31 HN HIS 31 -31.738 -0.750 9.476 277 HA HIS 31 HA HIS 31 -30.708 -3.348 8.490 278 1HB HIS 31 HB1 HIS 31 -30.473 -3.881 10.902 279 2HB HIS 31 HB2 HIS 31 -31.333 -2.401 11.325 280 HD1 HIS 31 HD1 HIS 31 -28.072 -3.496 11.048 281 HD2 HIS 31 HD2 HIS 31 -29.895 -0.041 9.953 282 HE1 HIS 31 HE1 HIS 31 -26.272 -1.883 10.834 283 H CYS 32 HN CYS 32 -31.839 -5.247 8.538 284 HA CYS 32 HA CYS 32 -34.696 -5.108 8.431 285 1HB CYS 32 HB1 CYS 32 -32.674 -7.359 8.656 286 2HB CYS 32 HB2 CYS 32 -33.646 -6.919 7.275 287 H THR 33 HN THR 33 -36.246 -5.549 9.942 288 HA THR 33 HA THR 33 -35.594 -5.182 12.701 289 HB THR 33 HB THR 33 -38.089 -6.142 11.210 290 HG1 THR 33 HG1 THR 33 -38.735 -4.123 12.008 291 1HG2 THR 33 HG21 THR 33 -37.522 -5.988 14.213 292 2HG2 THR 33 HG22 THR 33 -38.396 -7.251 13.352 293 3HG2 THR 33 HG23 THR 33 -39.141 -5.674 13.594 294 OH TYR 34 OH TYR 34 -41.607 -9.217 11.351 295 H TYR 34 HN TYR 34 -35.678 -7.980 10.696 296 HA TYR 34 HA TYR 34 -35.574 -9.773 13.068 297 1HB TYR 34 HB1 TYR 34 -35.955 -11.590 11.445 298 2HB TYR 34 HB2 TYR 34 -35.733 -10.479 10.099 299 HD1 TYR 34 HD2 TYR 34 -37.356 -8.430 10.006 300 HD2 TYR 34 HD1 TYR 34 -38.103 -11.904 12.345 301 HE1 TYR 34 HE2 TYR 34 -39.735 -7.846 10.117 302 HE2 TYR 34 HE1 TYR 34 -40.479 -11.319 12.455 303 HH TYR 34 HH TYR 34 -41.962 -9.260 10.459 304 H CYS 35 HN CYS 35 -33.984 -9.989 9.895 305 HA CYS 35 HA CYS 35 -31.664 -11.282 10.931 306 1HB CYS 35 HB1 CYS 35 -30.680 -10.875 8.773 307 2HB CYS 35 HB2 CYS 35 -31.666 -9.470 8.502 308 H ASN 36 HN ASN 36 -29.475 -10.038 10.062 309 HA ASN 36 HA ASN 36 -29.360 -7.534 11.698 310 1HB ASN 36 HB1 ASN 36 -26.968 -9.328 11.159 311 2HB ASN 36 HB2 ASN 36 -28.093 -9.744 12.449 312 1HD2 ASN 36 HD21 ASN 36 -27.588 -8.833 14.431 313 2HD2 ASN 36 HD22 ASN 36 -26.684 -7.415 14.658 314 H PHE 37 HN PHE 37 -29.357 -8.680 8.649 315 HA PHE 37 HA PHE 37 -27.114 -7.207 7.525 316 1HB PHE 37 HB1 PHE 37 -29.571 -7.972 5.928 317 2HB PHE 37 HB2 PHE 37 -28.546 -9.259 6.567 318 HD1 PHE 37 HD2 PHE 37 -26.040 -9.183 6.006 319 HD2 PHE 37 HD1 PHE 37 -28.913 -6.761 4.002 320 HE1 PHE 37 HE2 PHE 37 -24.457 -8.827 4.161 321 HE2 PHE 37 HE1 PHE 37 -27.327 -6.408 2.159 322 HZ PHE 37 HZ PHE 37 -25.099 -7.440 2.239 323 H SER 38 HN SER 38 -27.314 -5.349 6.144 324 HA SER 38 HA SER 38 -29.835 -3.831 6.416 325 1HB SER 38 HB1 SER 38 -27.125 -2.649 7.173 326 2HB SER 38 HB2 SER 38 -28.315 -3.203 8.358 327 HG SER 38 HG1 SER 38 -28.313 -0.890 7.321 328 H PHE 39 HN PHE 39 -29.635 -1.706 5.215 329 HA PHE 39 HA PHE 39 -27.895 -2.025 2.821 330 1HB PHE 39 HB1 PHE 39 -29.792 -1.672 1.386 331 2HB PHE 39 HB2 PHE 39 -30.796 -1.127 2.728 332 HD1 PHE 39 HD2 PHE 39 -31.451 -2.779 4.510 333 HD2 PHE 39 HD1 PHE 39 -29.577 -4.034 0.902 334 HE1 PHE 39 HE2 PHE 39 -32.134 -5.090 4.966 335 HE2 PHE 39 HE1 PHE 39 -30.257 -6.352 1.365 336 HZ PHE 39 HZ PHE 39 -31.533 -6.880 3.402 337 H LYS 40 HN LYS 40 -27.610 -0.064 1.617 338 HA LYS 40 HA LYS 40 -27.382 2.248 3.402 339 1HB LYS 40 HB1 LYS 40 -26.572 1.704 0.521 340 2HB LYS 40 HB2 LYS 40 -25.529 1.683 1.917 341 1HG LYS 40 HG1 LYS 40 -26.907 4.125 0.759 342 2HG LYS 40 HG2 LYS 40 -25.190 3.773 0.712 343 1HD LYS 40 HD1 LYS 40 -25.444 3.603 3.324 344 2HD LYS 40 HD2 LYS 40 -26.872 4.588 3.054 345 1HE LYS 40 HE1 LYS 40 -23.995 5.263 2.618 346 2HE LYS 40 HE2 LYS 40 -25.287 6.261 3.272 347 1HZ LYS 40 HZ1 LYS 40 -26.099 5.787 0.738 348 2HZ LYS 40 HZ2 LYS 40 -24.416 5.940 0.561 349 3HZ LYS 40 HZ3 LYS 40 -25.314 7.193 1.276 350 H THR 41 HN THR 41 -29.688 1.063 1.269 351 HA THR 41 HA THR 41 -30.971 3.753 1.176 352 HB THR 41 HB THR 41 -31.542 3.453 -1.168 353 HG1 THR 41 HG1 THR 41 -31.726 1.466 -1.935 354 1HG2 THR 41 HG21 THR 41 -28.942 3.675 -0.659 355 2HG2 THR 41 HG22 THR 41 -29.388 3.061 -2.248 356 3HG2 THR 41 HG23 THR 41 -28.879 1.945 -0.984 357 H LYS 42 HN LYS 42 -33.232 3.745 1.035 358 HA LYS 42 HA LYS 42 -34.449 1.640 2.571 359 1HB LYS 42 HB1 LYS 42 -35.678 3.985 1.051 360 2HB LYS 42 HB2 LYS 42 -35.176 4.013 2.737 361 1HG LYS 42 HG1 LYS 42 -36.785 1.870 2.851 362 2HG LYS 42 HG2 LYS 42 -37.542 2.682 1.485 363 1HD LYS 42 HD1 LYS 42 -37.009 3.909 4.213 364 2HD LYS 42 HD2 LYS 42 -38.582 3.423 3.592 365 1HE LYS 42 HE1 LYS 42 -36.808 5.677 2.639 366 2HE LYS 42 HE2 LYS 42 -38.485 5.756 3.163 367 1HZ LYS 42 HZ1 LYS 42 -38.461 5.912 0.824 368 2HZ LYS 42 HZ2 LYS 42 -39.032 4.358 1.199 369 3HZ LYS 42 HZ3 LYS 42 -37.435 4.568 0.663 370 H GLY 43 HN GLY 43 -33.987 2.209 -0.779 371 1HA GLY 43 HA1 GLY 43 -34.707 0.984 -2.656 372 2HA GLY 43 HA2 GLY 43 -36.270 0.870 -1.847 373 H ASN 44 HN ASN 44 -32.991 -0.448 -1.461 374 HA ASN 44 HA ASN 44 -33.551 -3.125 -1.945 375 1HB ASN 44 HB1 ASN 44 -31.619 -3.510 -0.219 376 2HB ASN 44 HB2 ASN 44 -31.606 -1.758 -0.054 377 1HD2 ASN 44 HD21 ASN 44 -32.221 -3.624 -3.049 378 2HD2 ASN 44 HD22 ASN 44 -30.879 -3.013 -3.888 379 H LEU 45 HN LEU 45 -33.959 -1.323 1.067 380 HA LEU 45 HA LEU 45 -34.518 -3.413 2.835 381 1HB LEU 45 HB1 LEU 45 -36.168 -0.853 2.712 382 2HB LEU 45 HB2 LEU 45 -34.480 -0.813 3.191 383 HG LEU 45 HG LEU 45 -35.981 -0.919 5.161 384 1HD1 LEU 45 HD11 LEU 45 -37.740 -2.313 3.860 385 2HD1 LEU 45 HD12 LEU 45 -37.508 -2.671 5.565 386 3HD1 LEU 45 HD13 LEU 45 -36.799 -3.715 4.347 387 1HD2 LEU 45 HD21 LEU 45 -34.621 -2.358 6.351 388 2HD2 LEU 45 HD22 LEU 45 -33.674 -2.226 4.878 389 3HD2 LEU 45 HD23 LEU 45 -34.696 -3.628 5.139 390 H THR 46 HN THR 46 -36.952 -1.592 0.965 391 HA THR 46 HA THR 46 -39.157 -3.222 1.557 392 HB THR 46 HB THR 46 -38.542 -1.895 -1.156 393 HG1 THR 46 HG1 THR 46 -40.116 -0.621 0.665 394 1HG2 THR 46 HG21 THR 46 -41.113 -2.597 0.376 395 2HG2 THR 46 HG22 THR 46 -40.653 -3.216 -1.206 396 3HG2 THR 46 HG23 THR 46 -41.087 -1.520 -1.016 397 H LYS 47 HN LYS 47 -36.546 -3.708 -0.720 398 HA LYS 47 HA LYS 47 -37.735 -5.896 -2.152 399 1HB LYS 47 HB1 LYS 47 -34.756 -5.743 -1.647 400 2HB LYS 47 HB2 LYS 47 -35.517 -4.455 -2.573 401 1HG LYS 47 HG1 LYS 47 -36.317 -5.998 -4.231 402 2HG LYS 47 HG2 LYS 47 -35.917 -7.387 -3.226 403 1HD LYS 47 HD1 LYS 47 -33.497 -6.716 -3.363 404 2HD LYS 47 HD2 LYS 47 -33.955 -5.449 -4.495 405 1HE LYS 47 HE1 LYS 47 -34.758 -7.059 -6.097 406 2HE LYS 47 HE2 LYS 47 -34.633 -8.370 -4.932 407 1HZ LYS 47 HZ1 LYS 47 -32.644 -7.293 -6.649 408 2HZ LYS 47 HZ2 LYS 47 -32.620 -8.725 -5.736 409 3HZ LYS 47 HZ3 LYS 47 -32.129 -7.259 -5.031 410 H HIS 48 HN HIS 48 -35.481 -5.818 0.610 411 HA HIS 48 HA HIS 48 -35.417 -8.683 0.894 412 1HB HIS 48 HB1 HIS 48 -34.842 -6.434 2.894 413 2HB HIS 48 HB2 HIS 48 -33.657 -7.285 1.907 414 HD1 HIS 48 HD1 HIS 48 -33.848 -10.020 2.433 415 HD2 HIS 48 HD2 HIS 48 -35.031 -7.497 5.424 416 HE1 HIS 48 HE1 HIS 48 -33.781 -11.361 4.479 417 H MET 49 HN MET 49 -37.695 -6.277 1.806 418 HA MET 49 HA MET 49 -38.956 -8.041 3.815 419 1HB MET 49 HB1 MET 49 -40.680 -6.040 3.749 420 2HB MET 49 HB2 MET 49 -39.446 -5.218 2.802 421 1HG MET 49 HG1 MET 49 -38.999 -4.607 5.038 422 2HG MET 49 HG2 MET 49 -37.806 -5.815 4.637 423 1HE MET 49 HE1 MET 49 -37.588 -5.061 7.003 424 2HE MET 49 HE2 MET 49 -38.023 -6.181 8.295 425 3HE MET 49 HE3 MET 49 -39.081 -4.821 7.914 426 H LYS 50 HN LYS 50 -39.189 -7.277 0.481 427 HA LYS 50 HA LYS 50 -41.957 -7.885 0.058 428 1HB LYS 50 HB1 LYS 50 -39.666 -8.447 -1.880 429 2HB LYS 50 HB2 LYS 50 -40.279 -6.822 -1.598 430 1HG LYS 50 HG1 LYS 50 -42.344 -7.284 -2.583 431 2HG LYS 50 HG2 LYS 50 -42.229 -9.009 -2.261 432 1HD LYS 50 HD1 LYS 50 -40.212 -7.756 -4.093 433 2HD LYS 50 HD2 LYS 50 -41.829 -8.071 -4.712 434 1HE LYS 50 HE1 LYS 50 -40.425 -10.243 -3.189 435 2HE LYS 50 HE2 LYS 50 -39.946 -9.938 -4.853 436 1HZ LYS 50 HZ1 LYS 50 -41.714 -11.028 -5.543 437 2HZ LYS 50 HZ2 LYS 50 -42.743 -9.963 -4.714 438 3HZ LYS 50 HZ3 LYS 50 -42.158 -11.355 -3.937 439 H SER 51 HN SER 51 -39.029 -9.888 -0.133 440 HA SER 51 HA SER 51 -40.255 -12.294 -0.926 441 1HB SER 51 HB1 SER 51 -38.102 -12.439 1.180 442 2HB SER 51 HB2 SER 51 -37.692 -11.623 -0.340 443 HG SER 51 HG1 SER 51 -38.994 -13.593 -1.191 444 H LYS 52 HN LYS 52 -40.958 -14.102 0.274 445 HA LYS 52 HA LYS 52 -42.531 -13.339 2.611 446 1HB LYS 52 HB1 LYS 52 -43.062 -15.907 2.497 447 2HB LYS 52 HB2 LYS 52 -42.120 -15.897 1.014 448 1HG LYS 52 HG1 LYS 52 -43.824 -13.682 0.743 449 2HG LYS 52 HG2 LYS 52 -44.841 -14.902 1.493 450 1HD LYS 52 HD1 LYS 52 -45.099 -15.329 -0.808 451 2HD LYS 52 HD2 LYS 52 -43.881 -16.503 -0.336 452 1HE LYS 52 HE1 LYS 52 -42.982 -15.492 -2.289 453 2HE LYS 52 HE2 LYS 52 -42.155 -14.671 -0.971 454 1HZ LYS 52 HZ1 LYS 52 -43.020 -12.752 -1.588 455 2HZ LYS 52 HZ2 LYS 52 -44.598 -13.377 -1.585 456 3HZ LYS 52 HZ3 LYS 52 -43.634 -13.514 -2.976 457 H ALA 53 HN ALA 53 -39.469 -13.512 2.641 458 HA ALA 53 HA ALA 53 -38.518 -15.620 4.198 459 1HB ALA 53 HB1 ALA 53 -36.954 -13.864 5.211 460 2HB ALA 53 HB2 ALA 53 -37.912 -12.629 4.400 461 3HB ALA 53 HB3 ALA 53 -37.026 -13.818 3.452 462 H HIS 54 HN HIS 54 -39.097 -12.545 5.848 463 HA HIS 54 HA HIS 54 -40.869 -13.908 7.776 464 1HB HIS 54 HB1 HIS 54 -38.934 -14.254 9.028 465 2HB HIS 54 HB2 HIS 54 -39.314 -12.625 9.567 466 HD1 HIS 54 HD1 HIS 54 -36.854 -14.473 7.618 467 HD2 HIS 54 HD2 HIS 54 -37.646 -10.542 8.428 468 HE1 HIS 54 HE1 HIS 54 -34.810 -13.256 7.031 469 H SER 55 HN SER 55 -42.453 -12.517 6.944 470 HA SER 55 HA SER 55 -42.313 -9.792 8.126 471 1HB SER 55 HB1 SER 55 -43.381 -8.913 5.958 472 2HB SER 55 HB2 SER 55 -43.014 -10.487 5.225 473 HG SER 55 HG1 SER 55 -40.844 -9.916 6.423 474 H LYS 56 HN LYS 56 -44.217 -12.461 6.891 475 HA LYS 56 HA LYS 56 -46.705 -11.191 7.902 476 1HB LYS 56 HB1 LYS 56 -47.812 -13.146 6.788 477 2HB LYS 56 HB2 LYS 56 -46.230 -13.810 6.396 478 1HG LYS 56 HG1 LYS 56 -46.021 -11.236 5.432 479 2HG LYS 56 HG2 LYS 56 -47.710 -11.611 5.111 480 1HD LYS 56 HD1 LYS 56 -46.875 -13.829 4.127 481 2HD LYS 56 HD2 LYS 56 -45.262 -13.127 4.180 482 1HE LYS 56 HE1 LYS 56 -47.546 -12.479 2.406 483 2HE LYS 56 HE2 LYS 56 -45.819 -12.351 2.099 484 1HZ LYS 56 HZ1 LYS 56 -46.807 -10.181 2.172 485 2HZ LYS 56 HZ2 LYS 56 -45.776 -10.371 3.508 486 3HZ LYS 56 HZ3 LYS 56 -47.459 -10.479 3.712 487 H LYS 57 HN LYS 57 -46.909 -14.520 7.910 488 HA LYS 57 HA LYS 57 -47.566 -14.748 10.623 489 1HB LYS 57 HB1 LYS 57 -46.687 -17.267 10.078 490 2HB LYS 57 HB2 LYS 57 -46.762 -16.638 8.437 491 1HG LYS 57 HG1 LYS 57 -49.118 -15.896 8.884 492 2HG LYS 57 HG2 LYS 57 -49.026 -16.679 10.458 493 1HD LYS 57 HD1 LYS 57 -48.532 -18.841 9.343 494 2HD LYS 57 HD2 LYS 57 -48.650 -18.052 7.774 495 1HE LYS 57 HE1 LYS 57 -50.883 -18.177 9.828 496 2HE LYS 57 HE2 LYS 57 -50.769 -19.203 8.405 497 1HZ LYS 57 HZ1 LYS 57 -50.903 -16.243 8.338 498 2HZ LYS 57 HZ2 LYS 57 -52.224 -17.279 8.086 499 3HZ LYS 57 LYS 57 -50.919 -17.288 7.000 Start of MODEL 9 Raw file had 499 H/Q atoms Start of MODEL 9 1 1H LYS 1 HT1 LYS 1 -10.320 -5.158 -10.558 2 2H LYS 1 HT2 LYS 1 -8.918 -4.736 -9.698 3 3H LYS 1 HT3 LYS 1 -8.813 -5.162 -11.339 4 HA LYS 1 HA LYS 1 -8.619 -2.771 -11.004 5 1HB LYS 1 HB1 LYS 1 -10.583 -2.172 -12.569 6 2HB LYS 1 HB2 LYS 1 -11.098 -3.850 -12.427 7 1HG LYS 1 HG1 LYS 1 -8.588 -4.369 -13.064 8 2HG LYS 1 HG2 LYS 1 -8.616 -2.734 -13.711 9 1HD LYS 1 HD1 LYS 1 -9.361 -3.900 -15.573 10 2HD LYS 1 HD2 LYS 1 -10.905 -3.578 -14.791 11 1HE LYS 1 HE1 LYS 1 -11.032 -5.888 -15.186 12 2HE LYS 1 HE2 LYS 1 -10.440 -5.834 -13.531 13 1HZ LYS 1 HZ1 LYS 1 -9.241 -7.025 -15.730 14 2HZ LYS 1 HZ2 LYS 1 -8.624 -6.892 -14.152 15 3HZ LYS 1 HZ3 LYS 1 -8.263 -5.702 -15.308 16 OH TYR 2 OH TYR 2 -7.834 2.092 -9.698 17 H TYR 2 HN TYR 2 -12.120 -3.126 -10.983 18 HA TYR 2 HA TYR 2 -12.288 -2.050 -8.248 19 1HB TYR 2 HB1 TYR 2 -13.544 -0.027 -8.974 20 2HB TYR 2 HB2 TYR 2 -13.317 -0.487 -10.662 21 HD1 TYR 2 HD2 TYR 2 -11.472 0.445 -7.566 22 HD2 TYR 2 HD1 TYR 2 -11.286 0.046 -11.797 23 HE1 TYR 2 HE2 TYR 2 -9.303 1.587 -7.578 24 HE2 TYR 2 HE1 TYR 2 -9.110 1.177 -11.807 25 HH TYR 2 HH TYR 2 -7.953 2.962 -10.088 26 H ILE 3 HN ILE 3 -13.199 -4.451 -9.128 27 HA ILE 3 HA ILE 3 -16.148 -4.079 -9.430 28 HB ILE 3 HB ILE 3 -14.345 -6.502 -9.952 29 1HG1 ILE 3 HG11 ILE 3 -15.356 -4.268 -11.617 30 2HG1 ILE 3 HG12 ILE 3 -15.589 -5.861 -12.323 31 1HG2 ILE 3 HG21 ILE 3 -17.360 -6.071 -10.363 32 2HG2 ILE 3 HG22 ILE 3 -16.629 -7.194 -9.222 33 3HG2 ILE 3 HG23 ILE 3 -16.476 -7.477 -10.949 34 1HD1 ILE 3 HD1 ILE 3 -12.948 -4.869 -11.203 35 2HD1 ILE 3 HD2 ILE 3 -13.374 -4.832 -12.912 36 3HD1 ILE 3 HD3 ILE 3 -13.220 -6.374 -12.076 37 H CYS 4 HN CYS 4 -16.932 -3.927 -7.366 38 HA CYS 4 HA CYS 4 -15.865 -5.040 -5.053 39 1HB CYS 4 HB1 CYS 4 -18.734 -4.595 -5.883 40 2HB CYS 4 HB2 CYS 4 -17.767 -3.621 -4.813 41 H GLU 5 HN GLU 5 -15.391 -7.008 -4.497 42 HA GLU 5 HA GLU 5 -16.013 -9.311 -6.001 43 1HB GLU 5 HB1 GLU 5 -15.350 -10.476 -3.732 44 2HB GLU 5 HB2 GLU 5 -15.026 -8.838 -3.178 45 1HG GLU 5 HG1 GLU 5 -13.463 -8.489 -5.046 46 2HG GLU 5 HG2 GLU 5 -13.820 -10.100 -5.664 47 H GLU 6 HN GLU 6 -17.895 -7.674 -3.622 48 HA GLU 6 HA GLU 6 -19.557 -10.035 -3.136 49 1HB GLU 6 HB1 GLU 6 -20.112 -7.212 -2.170 50 2HB GLU 6 HB2 GLU 6 -18.919 -8.231 -1.374 51 1HG GLU 6 HG1 GLU 6 -20.659 -9.975 -1.031 52 2HG GLU 6 HG2 GLU 6 -21.849 -8.920 -1.789 53 H CYS 7 HN CYS 7 -20.434 -6.682 -3.925 54 HA CYS 7 HA CYS 7 -22.884 -7.574 -5.206 55 1HB CYS 7 HB1 CYS 7 -23.338 -5.273 -5.528 56 2HB CYS 7 HB2 CYS 7 -21.654 -4.850 -5.593 57 H GLY 8 HN GLY 8 -19.850 -6.135 -6.361 58 1HA GLY 8 HA1 GLY 8 -20.437 -7.300 -9.047 59 2HA GLY 8 HA2 GLY 8 -18.829 -6.911 -8.451 60 H ILE 9 HN ILE 9 -20.285 -4.367 -7.339 61 HA ILE 9 HA ILE 9 -21.145 -2.801 -9.504 62 HB ILE 9 HB ILE 9 -21.152 -2.261 -6.962 63 1HG1 ILE 9 HG11 ILE 9 -21.907 -0.709 -8.763 64 2HG1 ILE 9 HG12 ILE 9 -20.268 -0.081 -8.887 65 1HG2 ILE 9 HG21 ILE 9 -19.207 -1.163 -6.064 66 2HG2 ILE 9 HG22 ILE 9 -18.489 -0.926 -7.646 67 3HG2 ILE 9 HG23 ILE 9 -18.542 -2.530 -6.928 68 1HD1 ILE 9 HD1 ILE 9 -21.798 -0.111 -6.272 69 2HD1 ILE 9 HD2 ILE 9 -21.870 1.247 -7.389 70 3HD1 ILE 9 HD3 ILE 9 -20.336 0.793 -6.654 71 NH1 ARG 10 NH2 ARG 10 -17.996 -2.548 -18.237 72 NH2 ARG 10 NH1 ARG 10 -19.312 -4.130 -17.242 73 H ARG 10 HN ARG 10 -20.138 -1.936 -11.200 74 HA ARG 10 HA ARG 10 -17.171 -2.150 -11.302 75 1HB ARG 10 HB1 ARG 10 -19.162 -1.548 -13.543 76 2HB ARG 10 HB2 ARG 10 -18.634 -3.171 -13.121 77 1HG ARG 10 HG1 ARG 10 -16.216 -2.187 -13.416 78 2HG ARG 10 HG2 ARG 10 -17.031 -0.918 -14.322 79 1HD ARG 10 HD1 ARG 10 -17.279 -3.895 -14.887 80 2HD ARG 10 HD2 ARG 10 -16.291 -2.765 -15.812 81 HE ARG 10 HE ARG 10 -19.007 -1.823 -15.690 82 1HH1 ARG 10 HH21 ARG 10 -17.427 -1.730 -18.152 83 2HH1 ARG 10 HH22 ARG 10 -18.130 -2.973 -19.133 84 1HH2 ARG 10 HH11 ARG 10 -19.730 -4.496 -16.411 85 2HH2 ARG 10 HH12 ARG 10 -19.469 -4.580 -18.122 86 H ABA 11 HN ABU 11 -16.182 -0.369 -10.617 87 HA ABA 11 HA ABU 11 -17.216 2.281 -11.587 88 1HB ABA 11 HB1 ABU 11 -16.296 3.235 -9.499 89 2HB ABA 11 HB2 ABU 11 -15.711 1.663 -9.006 90 1HG ABA 11 HG1 ABU 11 -18.594 2.534 -9.331 91 2HG ABA 11 HG2 ABU 11 -17.798 1.995 -7.855 92 3HG ABA 11 HG3 ABU 11 -18.124 0.846 -9.149 93 H LYS 12 HN LYS 12 -15.923 2.845 -13.195 94 HA LYS 12 HA LYS 12 -13.237 2.006 -13.534 95 1HB LYS 12 HB1 LYS 12 -13.173 3.787 -15.286 96 2HB LYS 12 HB2 LYS 12 -14.672 4.455 -14.652 97 1HG LYS 12 HG1 LYS 12 -15.914 2.498 -15.255 98 2HG LYS 12 HG2 LYS 12 -14.448 1.575 -15.559 99 1HD LYS 12 HD1 LYS 12 -13.901 3.182 -17.423 100 2HD LYS 12 HD2 LYS 12 -15.470 3.937 -17.169 101 1HE LYS 12 HE1 LYS 12 -14.829 1.211 -18.246 102 2HE LYS 12 HE2 LYS 12 -15.998 2.390 -18.830 103 1HZ LYS 12 HZ1 LYS 12 -17.265 1.954 -16.738 104 2HZ LYS 12 HZ2 LYS 12 -16.223 0.645 -16.452 105 3HZ LYS 12 HZ3 LYS 12 -17.209 0.659 -17.833 106 H LYS 13 HN LYS 13 -14.163 3.759 -11.019 107 HA LYS 13 HA LYS 13 -11.581 5.211 -10.966 108 1HB LYS 13 HB1 LYS 13 -12.984 7.109 -9.772 109 2HB LYS 13 HB2 LYS 13 -14.355 6.351 -10.576 110 1HG LYS 13 HG1 LYS 13 -12.979 6.518 -12.742 111 2HG LYS 13 HG2 LYS 13 -11.901 7.587 -11.852 112 1HD LYS 13 HD1 LYS 13 -14.881 7.997 -12.273 113 2HD LYS 13 HD2 LYS 13 -13.590 8.915 -13.041 114 1HE LYS 13 HE1 LYS 13 -12.816 9.382 -10.575 115 2HE LYS 13 HE2 LYS 13 -14.466 8.934 -10.160 116 1HZ LYS 13 HZ1 LYS 13 -14.624 11.185 -10.479 117 2HZ LYS 13 HZ2 LYS 13 -15.078 10.599 -12.007 118 3HZ LYS 13 HZ3 LYS 13 -13.511 11.206 -11.762 119 HA PRO 14 HA PRO 14 -11.310 3.629 -6.825 120 1HB PRO 14 HB1 PRO 14 -9.203 4.461 -6.374 121 2HB PRO 14 HB2 PRO 14 -9.988 5.855 -5.632 122 1HG PRO 14 HG1 PRO 14 -8.385 5.922 -7.954 123 2HG PRO 14 HG2 PRO 14 -9.466 7.210 -7.417 124 1HD PRO 14 HD1 PRO 14 -10.703 6.823 -9.311 125 2HD PRO 14 HD2 PRO 14 -9.786 5.343 -9.651 126 H SER 15 HN SER 15 -11.516 7.150 -6.349 127 HA SER 15 HA SER 15 -12.884 7.399 -4.035 128 1HB SER 15 HB1 SER 15 -12.367 9.255 -5.783 129 2HB SER 15 HB2 SER 15 -13.901 9.458 -4.914 130 HG SER 15 HG1 SER 15 -14.954 8.424 -6.614 131 H MET 16 HN MET 16 -14.369 6.352 -7.054 132 HA MET 16 HA MET 16 -17.036 6.241 -5.922 133 1HB MET 16 HB1 MET 16 -17.346 4.705 -8.043 134 2HB MET 16 HB2 MET 16 -15.701 5.195 -8.435 135 1HG MET 16 HG1 MET 16 -17.277 6.698 -9.508 136 2HG MET 16 HG2 MET 16 -16.352 7.549 -8.301 137 1HE MET 16 HE1 MET 16 -19.335 5.591 -9.079 138 2HE MET 16 HE2 MET 16 -20.719 6.416 -8.364 139 3HE MET 16 HE3 MET 16 -19.730 5.337 -7.380 140 H LEU 17 HN LEU 17 -14.681 3.685 -6.841 141 HA LEU 17 HA LEU 17 -16.221 1.584 -5.643 142 1HB LEU 17 HB1 LEU 17 -13.188 1.558 -5.847 143 2HB LEU 17 HB2 LEU 17 -14.158 1.482 -7.300 144 HG LEU 17 HG LEU 17 -13.520 -0.790 -6.494 145 1HD1 LEU 17 HD11 LEU 17 -15.321 -0.344 -4.108 146 2HD1 LEU 17 HD12 LEU 17 -13.596 -0.032 -4.030 147 3HD1 LEU 17 HD13 LEU 17 -14.185 -1.648 -4.395 148 1HD2 LEU 17 HD21 LEU 17 -16.477 -0.697 -5.989 149 2HD2 LEU 17 HD22 LEU 17 -15.547 -1.759 -7.033 150 3HD2 LEU 17 HD23 LEU 17 -15.893 -0.115 -7.535 151 H LYS 18 HN LYS 18 -13.267 3.244 -4.560 152 HA LYS 18 HA LYS 18 -12.825 2.232 -2.084 153 1HB LYS 18 HB1 LYS 18 -12.257 4.621 -1.354 154 2HB LYS 18 HB2 LYS 18 -12.956 5.181 -2.868 155 1HG LYS 18 HG1 LYS 18 -11.345 3.882 -4.153 156 2HG LYS 18 HG2 LYS 18 -10.702 3.153 -2.690 157 1HD LYS 18 HD1 LYS 18 -10.657 6.135 -3.289 158 2HD LYS 18 HD2 LYS 18 -9.294 5.054 -3.545 159 1HE LYS 18 HE1 LYS 18 -8.718 5.618 -1.413 160 2HE LYS 18 HE2 LYS 18 -9.962 4.471 -0.938 161 1HZ LYS 18 HZ1 LYS 18 -9.929 7.324 -0.720 162 2HZ LYS 18 HZ2 LYS 18 -10.887 6.182 0.096 163 3HZ LYS 18 HZ3 LYS 18 -11.355 6.742 -1.438 164 H LYS 19 HN LYS 19 -15.179 4.852 -2.654 165 HA LYS 19 HA LYS 19 -16.211 4.818 -0.012 166 1HB LYS 19 HB1 LYS 19 -18.252 5.908 -1.171 167 2HB LYS 19 HB2 LYS 19 -17.386 5.681 -2.687 168 1HG LYS 19 HG1 LYS 19 -15.444 6.943 -1.685 169 2HG LYS 19 HG2 LYS 19 -16.456 7.293 -0.289 170 1HD LYS 19 HD1 LYS 19 -17.098 8.052 -3.160 171 2HD LYS 19 HD2 LYS 19 -16.517 9.157 -1.922 172 1HE LYS 19 HE1 LYS 19 -18.808 9.502 -1.732 173 2HE LYS 19 HE2 LYS 19 -18.594 8.204 -0.564 174 1HZ LYS 19 HZ1 LYS 19 -20.331 8.155 -2.603 175 2HZ LYS 19 HZ2 LYS 19 -19.722 6.774 -1.824 176 3HZ LYS 19 HZ3 LYS 19 -19.016 7.312 -3.272 177 H HIS 20 HN HIS 20 -17.127 3.043 -2.924 178 HA HIS 20 HA HIS 20 -19.540 1.923 -1.895 179 1HB HIS 20 HB1 HIS 20 -17.565 0.800 -3.929 180 2HB HIS 20 HB2 HIS 20 -18.972 1.785 -4.305 181 HD1 HIS 20 HD1 HIS 20 -20.988 0.383 -4.729 182 HD2 HIS 20 HD2 HIS 20 -18.224 -1.718 -2.611 183 HE1 HIS 20 HE1 HIS 20 -21.906 -1.877 -4.520 184 H ILE 21 HN ILE 21 -16.225 0.570 -1.972 185 HA ILE 21 HA ILE 21 -16.895 -1.861 -0.707 186 HB ILE 21 HB ILE 21 -14.551 -0.879 -1.657 187 1HG1 ILE 21 HG11 ILE 21 -14.844 -2.939 0.563 188 2HG1 ILE 21 HG12 ILE 21 -13.397 -2.744 -0.414 189 1HG2 ILE 21 HG21 ILE 21 -13.017 -0.253 0.096 190 2HG2 ILE 21 HG22 ILE 21 -14.104 -0.807 1.363 191 3HG2 ILE 21 HG23 ILE 21 -14.465 0.652 0.466 192 1HD1 ILE 21 HD1 ILE 21 -14.335 -4.159 -1.913 193 2HD1 ILE 21 HD2 ILE 21 -15.502 -2.895 -2.279 194 3HD1 ILE 21 HD3 ILE 21 -15.879 -4.116 -1.069 195 NH1 ARG 22 NH2 ARG 22 -12.243 3.069 3.687 196 NH2 ARG 22 NH1 ARG 22 -11.399 4.163 1.867 197 H ARG 22 HN ARG 22 -16.481 1.345 0.631 198 HA ARG 22 HA ARG 22 -16.384 0.414 3.392 199 1HB ARG 22 HB1 ARG 22 -16.965 2.866 3.865 200 2HB ARG 22 HB2 ARG 22 -17.060 3.114 2.127 201 1HG ARG 22 HG1 ARG 22 -14.742 2.536 1.831 202 2HG ARG 22 HG2 ARG 22 -14.615 1.946 3.485 203 1HD ARG 22 HD1 ARG 22 -14.468 4.068 4.372 204 2HD ARG 22 HD2 ARG 22 -15.520 4.767 3.144 205 HE ARG 22 HE ARG 22 -13.571 5.312 1.948 206 1HH1 ARG 22 HH21 ARG 22 -13.009 2.907 4.310 207 2HH1 ARG 22 HH22 ARG 22 -11.381 2.580 3.816 208 1HH2 ARG 22 HH11 ARG 22 -11.532 4.821 1.126 209 2HH2 ARG 22 HH12 ARG 22 -10.523 3.691 1.967 210 H THR 23 HN THR 23 -18.933 1.260 1.138 211 HA THR 23 HA THR 23 -21.077 1.627 2.920 212 HB THR 23 HB THR 23 -21.387 -0.089 0.402 213 HG1 THR 23 HG1 THR 23 -21.480 2.416 -0.248 214 1HG2 THR 23 HG21 THR 23 -22.921 2.433 0.917 215 2HG2 THR 23 HG22 THR 23 -23.224 1.160 2.097 216 3HG2 THR 23 HG23 THR 23 -23.532 0.869 0.388 217 H HIS 24 HN HIS 24 -19.241 -1.224 2.255 218 HA HIS 24 HA HIS 24 -21.292 -3.033 3.345 219 1HB HIS 24 HB1 HIS 24 -19.276 -4.680 3.250 220 2HB HIS 24 HB2 HIS 24 -18.375 -3.364 2.505 221 HD1 HIS 24 HD1 HIS 24 -21.525 -5.292 1.839 222 HD2 HIS 24 HD2 HIS 24 -18.756 -3.098 -0.199 223 HE1 HIS 24 HE1 HIS 24 -22.086 -5.566 -0.553 224 H THR 25 HN THR 25 -19.993 -0.732 4.879 225 HA THR 25 HA THR 25 -18.657 -2.180 7.075 226 HB THR 25 HB THR 25 -18.628 0.284 8.013 227 HG1 THR 25 HG1 THR 25 -19.016 1.654 6.033 228 1HG2 THR 25 HG21 THR 25 -16.547 -0.099 6.946 229 2HG2 THR 25 HG22 THR 25 -17.235 1.038 5.790 230 3HG2 THR 25 HG23 THR 25 -17.315 -0.694 5.478 231 H ASP 26 HN ASP 26 -20.619 0.519 7.794 232 HA ASP 26 HA ASP 26 -22.924 -1.036 8.671 233 1HB ASP 26 HB1 ASP 26 -22.637 -0.484 11.077 234 2HB ASP 26 HB2 ASP 26 -21.142 0.376 10.721 235 H VAL 27 HN VAL 27 -22.206 1.210 6.979 236 HA VAL 27 HA VAL 27 -23.626 3.443 8.338 237 HB VAL 27 HB VAL 27 -21.410 3.936 7.359 238 1HG1 VAL 27 HG11 VAL 27 -21.432 2.141 5.662 239 2HG1 VAL 27 HG12 VAL 27 -21.026 3.695 4.943 240 3HG1 VAL 27 HG13 VAL 27 -22.642 3.028 4.746 241 1HG2 VAL 27 HG21 VAL 27 -22.098 5.978 6.630 242 2HG2 VAL 27 HG22 VAL 27 -23.734 5.383 6.903 243 3HG2 VAL 27 HG23 VAL 27 -23.015 5.278 5.299 244 NH1 ARG 28 NH1 ARG 28 -24.903 -3.048 6.760 245 NH2 ARG 28 NH2 ARG 28 -23.279 -3.570 5.238 246 H ARG 28 HN ARG 28 -25.115 1.247 7.453 247 HA ARG 28 HA ARG 28 -26.652 2.364 5.145 248 1HB ARG 28 HB1 ARG 28 -27.518 -0.089 5.069 249 2HB ARG 28 HB2 ARG 28 -26.179 -0.461 6.146 250 1HG ARG 28 HG1 ARG 28 -24.800 0.898 4.315 251 2HG ARG 28 HG2 ARG 28 -26.129 0.395 3.281 252 1HD ARG 28 HD1 ARG 28 -24.331 -1.284 3.209 253 2HD ARG 28 HD2 ARG 28 -25.756 -1.966 3.990 254 HE ARG 28 HE ARG 28 -23.685 -0.780 5.749 255 1HH1 ARG 28 HH11 ARG 28 -25.532 -2.373 7.143 256 2HH1 ARG 28 HH12 ARG 28 -24.876 -3.975 7.134 257 1HH2 ARG 28 HH21 ARG 28 -22.692 -3.283 4.481 258 2HH2 ARG 28 HH22 ARG 28 -23.225 -4.505 5.587 259 HA PRO 29 HA PRO 29 -29.286 2.764 8.964 260 1HB PRO 29 HB1 PRO 29 -29.749 5.012 9.009 261 2HB PRO 29 HB2 PRO 29 -30.706 4.882 7.534 262 1HG PRO 29 HG1 PRO 29 -27.985 5.910 7.846 263 2HG PRO 29 HG2 PRO 29 -29.014 5.956 6.414 264 1HD PRO 29 HD1 PRO 29 -27.887 4.214 5.478 265 2HD PRO 29 HD2 PRO 29 -26.734 4.288 6.821 266 OH TYR 30 OH TYR 30 -32.649 7.537 3.227 267 H TYR 30 HN TYR 30 -30.189 2.693 5.552 268 HA TYR 30 HA TYR 30 -32.965 2.022 6.068 269 1HB TYR 30 HB1 TYR 30 -32.969 1.426 3.622 270 2HB TYR 30 HB2 TYR 30 -31.215 1.584 3.596 271 HD1 TYR 30 HD1 TYR 30 -34.284 3.520 4.521 272 HD2 TYR 30 HD2 TYR 30 -30.273 3.685 3.116 273 HE1 TYR 30 HE1 TYR 30 -34.510 5.934 4.160 274 HE2 TYR 30 HE2 TYR 30 -30.500 6.099 2.753 275 HH TYR 30 HH TYR 30 -33.536 7.794 3.488 276 H HIS 31 HN HIS 31 -33.527 0.199 7.066 277 HA HIS 31 HA HIS 31 -32.135 -2.345 6.288 278 1HB HIS 31 HB1 HIS 31 -32.560 -3.127 8.611 279 2HB HIS 31 HB2 HIS 31 -33.383 -1.616 8.982 280 HD1 HIS 31 HD1 HIS 31 -30.000 -2.720 7.956 281 HD2 HIS 31 HD2 HIS 31 -31.746 0.373 9.915 282 HE1 HIS 31 HE1 HIS 31 -28.150 -1.382 8.781 283 H CYS 32 HN CYS 32 -33.416 -4.079 5.741 284 HA CYS 32 HA CYS 32 -36.181 -3.559 5.126 285 1HB CYS 32 HB1 CYS 32 -34.477 -6.067 5.265 286 2HB CYS 32 HB2 CYS 32 -35.106 -5.274 3.845 287 H THR 33 HN THR 33 -38.026 -4.057 6.222 288 HA THR 33 HA THR 33 -37.862 -4.305 9.080 289 HB THR 33 HB THR 33 -40.335 -4.983 7.392 290 HG1 THR 33 HG1 THR 33 -39.851 -3.091 6.549 291 1HG2 THR 33 HG21 THR 33 -41.522 -4.062 9.276 292 2HG2 THR 33 HG22 THR 33 -40.104 -3.190 9.850 293 3HG2 THR 33 HG23 THR 33 -40.211 -4.935 10.065 294 OH TYR 34 OH TYR 34 -43.908 -6.645 5.590 295 H TYR 34 HN TYR 34 -38.013 -6.606 6.508 296 HA TYR 34 HA TYR 34 -38.644 -8.804 8.399 297 1HB TYR 34 HB1 TYR 34 -38.946 -10.165 6.379 298 2HB TYR 34 HB2 TYR 34 -38.213 -8.916 5.377 299 HD1 TYR 34 HD2 TYR 34 -39.390 -6.597 5.348 300 HD2 TYR 34 HD1 TYR 34 -41.279 -10.139 6.759 301 HE1 TYR 34 HE2 TYR 34 -41.583 -5.540 5.068 302 HE2 TYR 34 HE1 TYR 34 -43.471 -9.082 6.470 303 HH TYR 34 HH TYR 34 -44.581 -7.300 5.788 304 H CYS 35 HN CYS 35 -36.434 -8.723 5.614 305 HA CYS 35 HA CYS 35 -34.615 -10.610 6.706 306 1HB CYS 35 HB1 CYS 35 -33.091 -9.901 4.970 307 2HB CYS 35 HB2 CYS 35 -33.823 -8.326 4.876 308 H ASN 36 HN ASN 36 -32.131 -9.387 6.396 309 HA ASN 36 HA ASN 36 -32.029 -7.463 8.676 310 1HB ASN 36 HB1 ASN 36 -30.251 -9.899 8.142 311 2HB ASN 36 HB2 ASN 36 -31.344 -9.690 9.508 312 1HD2 ASN 36 HD21 ASN 36 -30.846 -7.604 10.858 313 2HD2 ASN 36 HD22 ASN 36 -29.206 -7.255 11.119 314 H PHE 37 HN PHE 37 -31.494 -7.939 5.509 315 HA PHE 37 HA PHE 37 -28.838 -6.871 5.161 316 1HB PHE 37 HB1 PHE 37 -31.063 -6.521 3.131 317 2HB PHE 37 HB2 PHE 37 -30.459 -8.139 3.475 318 HD1 PHE 37 HD2 PHE 37 -27.932 -8.551 3.245 319 HD2 PHE 37 HD1 PHE 37 -29.832 -5.055 1.726 320 HE1 PHE 37 HE2 PHE 37 -26.005 -8.138 1.779 321 HE2 PHE 37 HE1 PHE 37 -27.902 -4.648 0.259 322 HZ PHE 37 HZ PHE 37 -25.989 -6.189 0.286 323 H SER 38 HN SER 38 -28.342 -4.753 4.246 324 HA SER 38 HA SER 38 -30.384 -2.687 4.816 325 1HB SER 38 HB1 SER 38 -27.529 -2.306 5.761 326 2HB SER 38 HB2 SER 38 -28.702 -3.130 6.793 327 HG SER 38 HG1 SER 38 -30.086 -1.364 6.562 328 H PHE 39 HN PHE 39 -30.159 -0.791 3.694 329 HA PHE 39 HA PHE 39 -28.096 -0.834 1.530 330 1HB PHE 39 HB1 PHE 39 -29.757 0.037 0.039 331 2HB PHE 39 HB2 PHE 39 -30.796 0.550 1.367 332 HD1 PHE 39 HD2 PHE 39 -31.953 -1.212 2.773 333 HD2 PHE 39 HD1 PHE 39 -29.895 -2.206 -0.825 334 HE1 PHE 39 HE2 PHE 39 -33.094 -3.387 2.713 335 HE2 PHE 39 HE1 PHE 39 -31.055 -4.371 -0.883 336 HZ PHE 39 HZ PHE 39 -32.654 -4.961 0.885 337 H LYS 40 HN LYS 40 -27.406 1.233 0.758 338 HA LYS 40 HA LYS 40 -27.115 3.157 2.966 339 1HB LYS 40 HB1 LYS 40 -25.924 2.927 0.164 340 2HB LYS 40 HB2 LYS 40 -25.133 2.526 1.671 341 1HG LYS 40 HG1 LYS 40 -25.965 5.313 0.782 342 2HG LYS 40 HG2 LYS 40 -24.324 4.698 0.877 343 1HD LYS 40 HD1 LYS 40 -24.852 4.218 3.359 344 2HD LYS 40 HD2 LYS 40 -26.218 5.300 3.143 345 1HE LYS 40 HE1 LYS 40 -24.373 6.637 3.936 346 2HE LYS 40 HE2 LYS 40 -24.596 7.018 2.234 347 1HZ LYS 40 HZ1 LYS 40 -22.871 4.905 2.232 348 2HZ LYS 40 HZ2 LYS 40 -22.356 5.846 3.550 349 3HZ LYS 40 HZ3 LYS 40 -22.462 6.537 2.001 350 H THR 41 HN THR 41 -29.061 2.752 0.196 351 HA THR 41 HA THR 41 -29.970 5.594 0.446 352 HB THR 41 HB THR 41 -30.114 5.776 -1.981 353 HG1 THR 41 HG1 THR 41 -29.717 3.738 -3.138 354 1HG2 THR 41 HG21 THR 41 -27.735 3.877 -1.579 355 2HG2 THR 41 HG22 THR 41 -27.660 5.557 -1.054 356 3HG2 THR 41 HG23 THR 41 -27.866 5.177 -2.761 357 H LYS 42 HN LYS 42 -32.156 5.972 -0.172 358 HA LYS 42 HA LYS 42 -33.914 3.892 0.744 359 1HB LYS 42 HB1 LYS 42 -34.745 6.419 -0.727 360 2HB LYS 42 HB2 LYS 42 -34.210 6.469 0.948 361 1HG LYS 42 HG1 LYS 42 -36.012 5.083 1.674 362 2HG LYS 42 HG2 LYS 42 -36.397 4.589 0.030 363 1HD LYS 42 HD1 LYS 42 -37.059 6.918 -0.509 364 2HD LYS 42 HD2 LYS 42 -36.694 7.398 1.145 365 1HE LYS 42 HE1 LYS 42 -38.629 5.155 0.549 366 2HE LYS 42 HE2 LYS 42 -39.159 6.831 0.591 367 1HZ LYS 42 HZ1 LYS 42 -38.790 5.109 2.732 368 2HZ LYS 42 HZ2 LYS 42 -39.207 6.755 2.782 369 3HZ LYS 42 HZ3 LYS 42 -37.575 6.290 2.853 370 H GLY 43 HN GLY 43 -32.701 4.887 -2.311 371 1HA GLY 43 HA1 GLY 43 -33.099 4.068 -4.476 372 2HA GLY 43 HA2 GLY 43 -34.799 3.988 -4.019 373 H ASN 44 HN ASN 44 -31.754 2.266 -3.353 374 HA ASN 44 HA ASN 44 -32.534 -0.211 -4.376 375 1HB ASN 44 HB1 ASN 44 -30.827 -1.135 -2.681 376 2HB ASN 44 HB2 ASN 44 -30.693 0.504 -2.053 377 1HD2 ASN 44 HD21 ASN 44 -31.152 1.599 -4.870 378 2HD2 ASN 44 HD22 ASN 44 -29.659 1.396 -5.651 379 H LEU 45 HN LEU 45 -32.941 1.044 -1.084 380 HA LEU 45 HA LEU 45 -34.037 -1.261 0.101 381 1HB LEU 45 HB1 LEU 45 -34.685 1.704 0.535 382 2HB LEU 45 HB2 LEU 45 -33.483 0.771 1.397 383 HG LEU 45 HG LEU 45 -35.321 0.881 2.898 384 1HD1 LEU 45 HD11 LEU 45 -36.921 1.362 0.707 385 2HD1 LEU 45 HD12 LEU 45 -37.520 1.059 2.328 386 3HD1 LEU 45 HD13 LEU 45 -37.439 -0.251 1.162 387 1HD2 LEU 45 HD21 LEU 45 -35.786 -1.773 1.506 388 2HD2 LEU 45 HD22 LEU 45 -35.937 -1.405 3.218 389 3HD2 LEU 45 HD23 LEU 45 -34.351 -1.433 2.461 390 H THR 46 HN THR 46 -35.735 1.409 -1.528 391 HA THR 46 HA THR 46 -38.344 0.322 -1.317 392 HB THR 46 HB THR 46 -37.092 2.095 -3.502 393 HG1 THR 46 HG1 THR 46 -37.515 3.597 -2.065 394 1HG2 THR 46 HG21 THR 46 -39.950 1.240 -2.848 395 2HG2 THR 46 HG22 THR 46 -39.214 1.414 -4.439 396 3HG2 THR 46 HG23 THR 46 -39.651 2.845 -3.509 397 H LYS 47 HN LYS 47 -35.771 -0.252 -3.648 398 HA LYS 47 HA LYS 47 -37.365 -1.755 -5.506 399 1HB LYS 47 HB1 LYS 47 -34.510 -2.543 -5.192 400 2HB LYS 47 HB2 LYS 47 -34.760 -0.819 -5.436 401 1HG LYS 47 HG1 LYS 47 -36.054 -1.254 -7.467 402 2HG LYS 47 HG2 LYS 47 -35.942 -2.990 -7.198 403 1HD LYS 47 HD1 LYS 47 -33.409 -2.724 -7.275 404 2HD LYS 47 HD2 LYS 47 -33.679 -1.077 -7.833 405 1HE LYS 47 HE1 LYS 47 -33.357 -2.672 -9.724 406 2HE LYS 47 HE2 LYS 47 -34.938 -1.902 -9.766 407 1HZ LYS 47 HZ1 LYS 47 -34.551 -4.530 -9.940 408 2HZ LYS 47 HZ2 LYS 47 -35.983 -3.821 -9.363 409 3HZ LYS 47 HZ3 LYS 47 -34.808 -4.374 -8.268 410 H HIS 48 HN HIS 48 -35.642 -2.597 -2.566 411 HA HIS 48 HA HIS 48 -35.839 -5.456 -2.954 412 1HB HIS 48 HB1 HIS 48 -35.458 -3.742 -0.447 413 2HB HIS 48 HB2 HIS 48 -34.192 -4.546 -1.372 414 HD1 HIS 48 HD1 HIS 48 -34.811 -7.278 -1.504 415 HD2 HIS 48 HD2 HIS 48 -36.206 -5.229 1.746 416 HE1 HIS 48 HE1 HIS 48 -35.305 -8.985 0.176 417 H MET 49 HN MET 49 -37.931 -3.004 -1.620 418 HA MET 49 HA MET 49 -39.726 -4.959 -0.381 419 1HB MET 49 HB1 MET 49 -41.192 -2.881 -0.094 420 2HB MET 49 HB2 MET 49 -39.952 -1.964 -0.944 421 1HG MET 49 HG1 MET 49 -38.301 -2.550 0.731 422 2HG MET 49 HG2 MET 49 -39.424 -3.621 1.526 423 1HE MET 49 HE1 MET 49 -41.622 -2.826 2.680 424 2HE MET 49 HE2 MET 49 -41.241 -1.726 4.004 425 3HE MET 49 HE3 MET 49 -40.207 -3.120 3.691 426 H LYS 50 HN LYS 50 -39.726 -2.931 -3.287 427 HA LYS 50 HA LYS 50 -42.324 -3.462 -4.210 428 1HB LYS 50 HB1 LYS 50 -39.906 -3.459 -6.057 429 2HB LYS 50 HB2 LYS 50 -40.414 -1.983 -5.248 430 1HG LYS 50 HG1 LYS 50 -42.352 -3.677 -6.851 431 2HG LYS 50 HG2 LYS 50 -41.377 -2.428 -7.612 432 1HD LYS 50 HD1 LYS 50 -42.762 -0.806 -6.857 433 2HD LYS 50 HD2 LYS 50 -42.635 -1.388 -5.204 434 1HE LYS 50 HE1 LYS 50 -44.977 -1.479 -6.092 435 2HE LYS 50 HE2 LYS 50 -44.368 -3.055 -5.603 436 1HZ LYS 50 HZ1 LYS 50 -44.766 -1.990 -8.318 437 2HZ LYS 50 HZ2 LYS 50 -45.301 -3.459 -7.653 438 3HZ LYS 50 HZ3 LYS 50 -43.661 -3.251 -8.044 439 H SER 51 HN SER 51 -39.387 -5.400 -4.658 440 HA SER 51 HA SER 51 -40.336 -7.364 -6.388 441 1HB SER 51 HB1 SER 51 -38.486 -7.522 -3.964 442 2HB SER 51 HB2 SER 51 -38.049 -7.588 -5.682 443 HG SER 51 HG1 SER 51 -38.551 -9.624 -4.157 444 H LYS 52 HN LYS 52 -41.112 -9.552 -5.939 445 HA LYS 52 HA LYS 52 -43.451 -9.464 -4.233 446 1HB LYS 52 HB1 LYS 52 -43.186 -12.116 -4.886 447 2HB LYS 52 HB2 LYS 52 -42.176 -11.392 -6.133 448 1HG LYS 52 HG1 LYS 52 -44.320 -11.377 -7.117 449 2HG LYS 52 HG2 LYS 52 -44.169 -9.745 -6.476 450 1HD LYS 52 HD1 LYS 52 -45.183 -11.042 -4.298 451 2HD LYS 52 HD2 LYS 52 -45.932 -11.964 -5.597 452 1HE LYS 52 HE1 LYS 52 -46.026 -8.946 -5.271 453 2HE LYS 52 HE2 LYS 52 -47.360 -10.057 -4.982 454 1HZ LYS 52 HZ1 LYS 52 -46.478 -8.922 -7.418 455 2HZ LYS 52 HZ2 LYS 52 -47.883 -9.822 -7.100 456 3HZ LYS 52 HZ3 LYS 52 -46.443 -10.617 -7.519 457 H ALA 53 HN ALA 53 -40.401 -9.619 -3.301 458 HA ALA 53 HA ALA 53 -39.977 -11.876 -1.733 459 1HB ALA 53 HB1 ALA 53 -38.789 -10.254 -0.133 460 2HB ALA 53 HB2 ALA 53 -39.428 -8.935 -1.108 461 3HB ALA 53 HB3 ALA 53 -38.308 -10.092 -1.819 462 H HIS 54 HN HIS 54 -40.661 -9.130 0.264 463 HA HIS 54 HA HIS 54 -43.175 -10.338 1.225 464 1HB HIS 54 HB1 HIS 54 -41.839 -11.434 2.785 465 2HB HIS 54 HB2 HIS 54 -42.031 -9.906 3.632 466 HD1 HIS 54 HD1 HIS 54 -39.499 -12.004 2.201 467 HD2 HIS 54 HD2 HIS 54 -39.742 -8.049 3.212 468 HE1 HIS 54 HE1 HIS 54 -37.183 -11.221 2.341 469 H SER 55 HN SER 55 -44.116 -8.432 0.428 470 HA SER 55 HA SER 55 -44.007 -6.224 2.374 471 1HB SER 55 HB1 SER 55 -42.436 -5.192 0.940 472 2HB SER 55 HB2 SER 55 -43.916 -4.708 0.089 473 HG SER 55 HG1 SER 55 -43.454 -7.171 -0.631 474 H LYS 56 HN LYS 56 -46.145 -7.129 2.709 475 HA LYS 56 HA LYS 56 -48.178 -7.357 0.792 476 1HB LYS 56 HB1 LYS 56 -49.725 -6.794 2.757 477 2HB LYS 56 HB2 LYS 56 -48.286 -6.422 3.698 478 1HG LYS 56 HG1 LYS 56 -47.441 -8.715 3.323 479 2HG LYS 56 HG2 LYS 56 -48.869 -9.089 2.365 480 1HD LYS 56 HD1 LYS 56 -50.319 -8.845 4.264 481 2HD LYS 56 HD2 LYS 56 -49.040 -8.117 5.230 482 1HE LYS 56 HE1 LYS 56 -47.813 -10.195 5.310 483 2HE LYS 56 HE2 LYS 56 -48.879 -10.935 4.123 484 1HZ LYS 56 HZ1 LYS 56 -50.517 -10.048 6.148 485 2HZ LYS 56 HZ2 LYS 56 -49.184 -10.750 6.930 486 3HZ LYS 56 HZ3 LYS 56 -50.083 -11.655 5.810 487 H LYS 57 HN LYS 57 -48.770 -4.787 3.034 488 HA LYS 57 HA LYS 57 -49.981 -3.098 1.151 489 1HB LYS 57 HB1 LYS 57 -50.138 -1.560 2.923 490 2HB LYS 57 HB2 LYS 57 -48.507 -1.896 3.491 491 1HG LYS 57 HG1 LYS 57 -49.158 -3.830 4.631 492 2HG LYS 57 HG2 LYS 57 -50.568 -4.079 3.608 493 1HD LYS 57 HD1 LYS 57 -50.481 -1.579 5.245 494 2HD LYS 57 HD2 LYS 57 -50.791 -3.091 6.091 495 1HE LYS 57 HE1 LYS 57 -52.301 -2.419 3.570 496 2HE LYS 57 HE2 LYS 57 -52.824 -1.768 5.118 497 1HZ LYS 57 HZ1 LYS 57 -53.721 -4.035 4.262 498 2HZ LYS 57 HZ2 LYS 57 -53.368 -3.819 5.910 499 3HZ LYS 57 LYS 57 -52.270 -4.638 4.906 Start of MODEL 10 Raw file had 499 H/Q atoms Start of MODEL 10 1 1H LYS 1 HT1 LYS 1 -9.499 -4.272 -12.437 2 2H LYS 1 HT2 LYS 1 -9.284 -2.662 -11.939 3 3H LYS 1 HT3 LYS 1 -10.820 -3.382 -11.850 4 HA LYS 1 HA LYS 1 -9.641 -5.093 -10.334 5 1HB LYS 1 HB1 LYS 1 -8.046 -3.212 -9.003 6 2HB LYS 1 HB2 LYS 1 -7.681 -2.904 -10.696 7 1HG LYS 1 HG1 LYS 1 -6.143 -4.605 -10.035 8 2HG LYS 1 HG2 LYS 1 -7.396 -5.450 -10.935 9 1HD LYS 1 HD1 LYS 1 -7.573 -6.788 -9.108 10 2HD LYS 1 HD2 LYS 1 -8.414 -5.436 -8.360 11 1HE LYS 1 HE1 LYS 1 -6.096 -4.560 -7.688 12 2HE LYS 1 HE2 LYS 1 -5.476 -6.138 -8.155 13 1HZ LYS 1 HZ1 LYS 1 -7.388 -6.961 -6.614 14 2HZ LYS 1 HZ2 LYS 1 -7.232 -5.415 -5.926 15 3HZ LYS 1 HZ3 LYS 1 -5.900 -6.469 -5.959 16 OH TYR 2 OH TYR 2 -7.101 2.236 -8.513 17 H TYR 2 HN TYR 2 -11.093 -2.093 -10.781 18 HA TYR 2 HA TYR 2 -11.813 -1.805 -7.910 19 1HB TYR 2 HB1 TYR 2 -12.906 0.306 -8.707 20 2HB TYR 2 HB2 TYR 2 -12.455 -0.100 -10.359 21 HD1 TYR 2 HD2 TYR 2 -11.049 0.628 -6.993 22 HD2 TYR 2 HD1 TYR 2 -10.265 0.377 -11.166 23 HE1 TYR 2 HE2 TYR 2 -8.870 1.698 -6.650 24 HE2 TYR 2 HE1 TYR 2 -8.081 1.440 -10.819 25 HH TYR 2 HH TYR 2 -7.018 2.444 -7.580 26 H ILE 3 HN ILE 3 -12.890 -4.041 -8.524 27 HA ILE 3 HA ILE 3 -15.759 -3.420 -9.077 28 HB ILE 3 HB ILE 3 -14.288 -5.978 -9.876 29 1HG1 ILE 3 HG11 ILE 3 -14.543 -3.366 -11.228 30 2HG1 ILE 3 HG12 ILE 3 -15.031 -4.737 -12.214 31 1HG2 ILE 3 HG21 ILE 3 -16.365 -6.386 -11.175 32 2HG2 ILE 3 HG22 ILE 3 -17.005 -4.820 -10.687 33 3HG2 ILE 3 HG23 ILE 3 -16.789 -6.094 -9.491 34 1HD1 ILE 3 HD1 ILE 3 -12.538 -4.109 -12.293 35 2HD1 ILE 3 HD2 ILE 3 -12.906 -5.801 -11.972 36 3HD1 ILE 3 HD3 ILE 3 -12.439 -4.734 -10.651 37 H CYS 4 HN CYS 4 -16.920 -3.842 -7.294 38 HA CYS 4 HA CYS 4 -15.828 -5.296 -5.095 39 1HB CYS 4 HB1 CYS 4 -18.659 -4.498 -5.784 40 2HB CYS 4 HB2 CYS 4 -17.581 -3.694 -4.683 41 H GLU 5 HN GLU 5 -15.387 -7.353 -5.132 42 HA GLU 5 HA GLU 5 -16.527 -9.248 -6.908 43 1HB GLU 5 HB1 GLU 5 -15.407 -10.929 -5.420 44 2HB GLU 5 HB2 GLU 5 -15.144 -9.670 -4.218 45 1HG GLU 5 HG1 GLU 5 -14.209 -8.753 -6.794 46 2HG GLU 5 HG2 GLU 5 -13.477 -10.312 -6.423 47 H GLU 6 HN GLU 6 -17.711 -7.979 -3.939 48 HA GLU 6 HA GLU 6 -19.369 -10.272 -3.319 49 1HB GLU 6 HB1 GLU 6 -19.871 -7.483 -2.270 50 2HB GLU 6 HB2 GLU 6 -18.436 -8.349 -1.743 51 1HG GLU 6 HG1 GLU 6 -21.215 -9.554 -1.606 52 2HG GLU 6 HG2 GLU 6 -20.498 -8.660 -0.269 53 H CYS 7 HN CYS 7 -20.256 -6.901 -4.081 54 HA CYS 7 HA CYS 7 -22.901 -7.765 -4.963 55 1HB CYS 7 HB1 CYS 7 -23.285 -5.423 -5.424 56 2HB CYS 7 HB2 CYS 7 -21.580 -5.087 -5.500 57 H GLY 8 HN GLY 8 -20.150 -6.188 -6.543 58 1HA GLY 8 HA1 GLY 8 -21.004 -7.448 -9.118 59 2HA GLY 8 HA2 GLY 8 -19.321 -7.163 -8.685 60 H ILE 9 HN ILE 9 -20.234 -4.531 -7.447 61 HA ILE 9 HA ILE 9 -21.242 -2.942 -9.605 62 HB ILE 9 HB ILE 9 -21.191 -2.458 -7.014 63 1HG1 ILE 9 HG11 ILE 9 -22.083 -0.933 -8.790 64 2HG1 ILE 9 HG12 ILE 9 -20.482 -0.229 -8.960 65 1HG2 ILE 9 HG21 ILE 9 -18.565 -2.617 -7.120 66 2HG2 ILE 9 HG22 ILE 9 -19.247 -1.297 -6.195 67 3HG2 ILE 9 HG23 ILE 9 -18.623 -1.004 -7.810 68 1HD1 ILE 9 HD1 ILE 9 -21.956 -0.348 -6.316 69 2HD1 ILE 9 HD2 ILE 9 -22.068 1.025 -7.410 70 3HD1 ILE 9 HD3 ILE 9 -20.518 0.594 -6.698 71 NH1 ARG 10 NH1 ARG 10 -19.080 -0.945 -16.500 72 NH2 ARG 10 NH2 ARG 10 -17.786 -2.154 -17.944 73 H ARG 10 HN ARG 10 -20.201 -1.759 -11.130 74 HA ARG 10 HA ARG 10 -17.251 -2.179 -11.317 75 1HB ARG 10 HB1 ARG 10 -19.236 -1.388 -13.499 76 2HB ARG 10 HB2 ARG 10 -18.768 -3.048 -13.170 77 1HG ARG 10 HG1 ARG 10 -16.307 -1.812 -13.379 78 2HG ARG 10 HG2 ARG 10 -17.260 -0.895 -14.536 79 1HD ARG 10 HD1 ARG 10 -17.052 -3.927 -14.475 80 2HD ARG 10 HD2 ARG 10 -16.187 -2.874 -15.593 81 HE ARG 10 HE ARG 10 -18.967 -3.644 -15.824 82 1HH1 ARG 10 HH11 ARG 10 -19.523 -0.868 -15.607 83 2HH1 ARG 10 HH12 ARG 10 -19.174 -0.208 -17.170 84 1HH2 ARG 10 HH21 ARG 10 -17.259 -2.982 -18.134 85 2HH2 ARG 10 HH22 ARG 10 -17.859 -1.437 -18.639 86 H ABA 11 HN ABU 11 -16.046 -0.483 -10.848 87 HA ABA 11 HA ABU 11 -17.018 2.236 -11.637 88 1HB ABA 11 HB1 ABU 11 -16.084 3.098 -9.490 89 2HB ABA 11 HB2 ABU 11 -15.656 1.471 -9.013 90 1HG ABA 11 HG1 ABU 11 -18.461 2.498 -9.539 91 2HG ABA 11 HG2 ABU 11 -17.783 2.084 -7.966 92 3HG ABA 11 HG3 ABU 11 -18.064 0.825 -9.165 93 H LYS 12 HN LYS 12 -15.657 2.522 -13.307 94 HA LYS 12 HA LYS 12 -12.985 1.642 -13.485 95 1HB LYS 12 HB1 LYS 12 -12.884 3.704 -15.154 96 2HB LYS 12 HB2 LYS 12 -14.610 3.803 -14.826 97 1HG LYS 12 HG1 LYS 12 -14.854 1.413 -15.465 98 2HG LYS 12 HG2 LYS 12 -13.135 1.349 -15.836 99 1HD LYS 12 HD1 LYS 12 -13.379 2.978 -17.603 100 2HD LYS 12 HD2 LYS 12 -15.042 3.316 -17.135 101 1HE LYS 12 HE1 LYS 12 -15.761 1.113 -17.806 102 2HE LYS 12 HE2 LYS 12 -14.101 0.574 -18.019 103 1HZ LYS 12 HZ1 LYS 12 -14.354 2.802 -19.604 104 2HZ LYS 12 HZ2 LYS 12 -15.794 1.932 -19.842 105 3HZ LYS 12 HZ3 LYS 12 -14.294 1.185 -20.118 106 H LYS 13 HN LYS 13 -13.929 3.552 -11.092 107 HA LYS 13 HA LYS 13 -11.295 4.887 -11.004 108 1HB LYS 13 HB1 LYS 13 -12.511 6.968 -10.103 109 2HB LYS 13 HB2 LYS 13 -14.011 6.204 -10.625 110 1HG LYS 13 HG1 LYS 13 -13.335 6.227 -12.923 111 2HG LYS 13 HG2 LYS 13 -11.672 6.631 -12.506 112 1HD LYS 13 HD1 LYS 13 -13.692 8.529 -11.477 113 2HD LYS 13 HD2 LYS 13 -13.562 8.477 -13.232 114 1HE LYS 13 HE1 LYS 13 -11.248 9.035 -13.184 115 2HE LYS 13 HE2 LYS 13 -11.114 8.666 -11.470 116 1HZ LYS 13 HZ1 LYS 13 -12.019 10.631 -10.873 117 2HZ LYS 13 HZ2 LYS 13 -13.002 10.745 -12.252 118 3HZ LYS 13 HZ3 LYS 13 -11.348 11.115 -12.355 119 HA PRO 14 HA PRO 14 -11.319 3.429 -6.816 120 1HB PRO 14 HB1 PRO 14 -9.202 4.136 -6.229 121 2HB PRO 14 HB2 PRO 14 -9.910 5.650 -5.665 122 1HG PRO 14 HG1 PRO 14 -8.166 5.358 -7.878 123 2HG PRO 14 HG2 PRO 14 -9.124 6.791 -7.502 124 1HD PRO 14 HD1 PRO 14 -10.296 6.388 -9.432 125 2HD PRO 14 HD2 PRO 14 -9.530 4.798 -9.611 126 H SER 15 HN SER 15 -11.302 6.967 -6.455 127 HA SER 15 HA SER 15 -12.731 7.509 -4.283 128 1HB SER 15 HB1 SER 15 -12.183 9.187 -6.132 129 2HB SER 15 HB2 SER 15 -13.801 9.436 -5.445 130 HG SER 15 HG1 SER 15 -14.383 9.165 -7.464 131 H MET 16 HN MET 16 -14.388 6.354 -7.224 132 HA MET 16 HA MET 16 -16.982 6.347 -5.930 133 1HB MET 16 HB1 MET 16 -17.468 4.738 -7.983 134 2HB MET 16 HB2 MET 16 -15.833 5.146 -8.479 135 1HG MET 16 HG1 MET 16 -16.336 7.397 -8.823 136 2HG MET 16 HG2 MET 16 -17.728 7.363 -7.779 137 1HE MET 16 HE1 MET 16 -17.609 4.488 -10.609 138 2HE MET 16 HE2 MET 16 -16.275 5.634 -10.723 139 3HE MET 16 HE3 MET 16 -17.520 5.606 -11.969 140 H LEU 17 HN LEU 17 -14.848 3.652 -6.963 141 HA LEU 17 HA LEU 17 -16.305 1.610 -5.659 142 1HB LEU 17 HB1 LEU 17 -13.264 1.693 -5.759 143 2HB LEU 17 HB2 LEU 17 -14.191 1.510 -7.226 144 HG LEU 17 HG LEU 17 -13.449 -0.688 -6.306 145 1HD1 LEU 17 HD11 LEU 17 -14.123 -1.495 -4.206 146 2HD1 LEU 17 HD12 LEU 17 -15.364 -0.270 -4.018 147 3HD1 LEU 17 HD13 LEU 17 -13.671 0.173 -3.888 148 1HD2 LEU 17 HD21 LEU 17 -15.422 -1.832 -6.785 149 2HD2 LEU 17 HD22 LEU 17 -15.764 -0.271 -7.507 150 3HD2 LEU 17 HD23 LEU 17 -16.443 -0.676 -5.945 151 H LYS 18 HN LYS 18 -13.583 3.549 -4.550 152 HA LYS 18 HA LYS 18 -13.043 2.708 -2.041 153 1HB LYS 18 HB1 LYS 18 -13.636 5.619 -2.084 154 2HB LYS 18 HB2 LYS 18 -12.680 5.087 -3.458 155 1HG LYS 18 HG1 LYS 18 -11.910 4.188 -0.684 156 2HG LYS 18 HG2 LYS 18 -11.481 5.806 -1.219 157 1HD LYS 18 HD1 LYS 18 -10.387 4.820 -3.240 158 2HD LYS 18 HD2 LYS 18 -10.749 3.213 -2.619 159 1HE LYS 18 HE1 LYS 18 -8.439 3.935 -2.047 160 2HE LYS 18 HE2 LYS 18 -9.415 3.665 -0.611 161 1HZ LYS 18 HZ1 LYS 18 -9.843 6.058 -0.528 162 2HZ LYS 18 HZ2 LYS 18 -8.818 6.287 -1.861 163 3HZ LYS 18 HZ3 LYS 18 -8.190 5.697 -0.396 164 H LYS 19 HN LYS 19 -15.642 5.063 -2.682 165 HA LYS 19 HA LYS 19 -16.712 4.923 -0.053 166 1HB LYS 19 HB1 LYS 19 -18.865 5.697 -1.521 167 2HB LYS 19 HB2 LYS 19 -17.606 5.952 -2.724 168 1HG LYS 19 HG1 LYS 19 -16.327 7.249 -0.941 169 2HG LYS 19 HG2 LYS 19 -17.780 7.172 0.047 170 1HD LYS 19 HD1 LYS 19 -18.972 8.109 -2.095 171 2HD LYS 19 HD2 LYS 19 -17.351 8.599 -2.571 172 1HE LYS 19 HE1 LYS 19 -18.970 9.492 -0.193 173 2HE LYS 19 HE2 LYS 19 -18.122 10.476 -1.379 174 1HZ LYS 19 HZ1 LYS 19 -16.503 10.590 0.106 175 2HZ LYS 19 HZ2 LYS 19 -16.162 8.963 -0.245 176 3HZ LYS 19 HZ3 LYS 19 -17.168 9.356 1.065 177 H HIS 20 HN HIS 20 -17.430 3.108 -2.995 178 HA HIS 20 HA HIS 20 -19.797 1.840 -2.060 179 1HB HIS 20 HB1 HIS 20 -17.652 0.779 -3.955 180 2HB HIS 20 HB2 HIS 20 -19.086 1.679 -4.436 181 HD1 HIS 20 HD1 HIS 20 -21.029 0.177 -4.878 182 HD2 HIS 20 HD2 HIS 20 -18.258 -1.734 -2.597 183 HE1 HIS 20 HE1 HIS 20 -21.865 -2.109 -4.616 184 H ILE 21 HN ILE 21 -16.395 0.750 -1.888 185 HA ILE 21 HA ILE 21 -17.043 -1.676 -0.550 186 HB ILE 21 HB ILE 21 -14.735 -0.772 -1.591 187 1HG1 ILE 21 HG11 ILE 21 -15.262 -2.757 0.605 188 2HG1 ILE 21 HG12 ILE 21 -13.602 -2.463 0.107 189 1HG2 ILE 21 HG21 ILE 21 -14.210 -0.473 1.400 190 2HG2 ILE 21 HG22 ILE 21 -14.637 0.919 0.425 191 3HG2 ILE 21 HG23 ILE 21 -13.180 0.023 0.063 192 1HD1 ILE 21 HD1 ILE 21 -14.568 -4.324 -1.185 193 2HD1 ILE 21 HD2 ILE 21 -14.230 -2.960 -2.244 194 3HD1 ILE 21 HD3 ILE 21 -15.879 -3.287 -1.729 195 NH1 ARG 22 NH1 ARG 22 -17.705 6.190 3.756 196 NH2 ARG 22 NH2 ARG 22 -16.143 7.225 5.064 197 H ARG 22 HN ARG 22 -16.701 1.587 0.618 198 HA ARG 22 HA ARG 22 -16.439 0.855 3.413 199 1HB ARG 22 HB1 ARG 22 -17.393 3.297 3.670 200 2HB ARG 22 HB2 ARG 22 -17.275 3.371 1.918 201 1HG ARG 22 HG1 ARG 22 -14.884 2.869 2.013 202 2HG ARG 22 HG2 ARG 22 -14.973 2.645 3.757 203 1HD ARG 22 HD1 ARG 22 -15.601 5.234 2.295 204 2HD ARG 22 HD2 ARG 22 -14.117 4.904 3.186 205 HE ARG 22 HE ARG 22 -15.737 4.567 5.201 206 1HH1 ARG 22 HH11 ARG 22 -18.002 5.375 3.260 207 2HH1 ARG 22 HH12 ARG 22 -18.276 7.011 3.756 208 1HH2 ARG 22 HH21 ARG 22 -15.270 7.184 5.550 209 2HH2 ARG 22 HH22 ARG 22 -16.689 8.063 5.087 210 H THR 23 HN THR 23 -19.141 1.255 1.228 211 HA THR 23 HA THR 23 -21.209 1.515 3.165 212 HB THR 23 HB THR 23 -21.537 -0.152 0.617 213 HG1 THR 23 HG1 THR 23 -21.605 2.654 0.666 214 1HG2 THR 23 HG21 THR 23 -23.135 2.120 1.938 215 2HG2 THR 23 HG22 THR 23 -23.560 0.415 2.066 216 3HG2 THR 23 HG23 THR 23 -23.637 1.226 0.505 217 H HIS 24 HN HIS 24 -19.294 -1.250 2.244 218 HA HIS 24 HA HIS 24 -21.151 -3.196 3.379 219 1HB HIS 24 HB1 HIS 24 -19.001 -4.685 3.232 220 2HB HIS 24 HB2 HIS 24 -18.236 -3.290 2.473 221 HD1 HIS 24 HD1 HIS 24 -21.456 -5.170 1.917 222 HD2 HIS 24 HD2 HIS 24 -18.518 -3.350 -0.237 223 HE1 HIS 24 HE1 HIS 24 -22.086 -5.461 -0.452 224 H THR 25 HN THR 25 -20.038 -0.847 4.967 225 HA THR 25 HA THR 25 -18.696 -2.308 7.174 226 HB THR 25 HB THR 25 -18.493 0.119 8.074 227 HG1 THR 25 HG1 THR 25 -19.021 1.627 6.356 228 1HG2 THR 25 HG21 THR 25 -16.526 -0.441 6.818 229 2HG2 THR 25 HG22 THR 25 -17.157 0.923 5.904 230 3HG2 THR 25 HG23 THR 25 -17.454 -0.721 5.350 231 H ASP 26 HN ASP 26 -20.400 0.470 8.028 232 HA ASP 26 HA ASP 26 -22.821 -0.981 8.871 233 1HB ASP 26 HB1 ASP 26 -22.420 0.044 11.255 234 2HB ASP 26 HB2 ASP 26 -20.741 0.210 10.750 235 H VAL 27 HN VAL 27 -22.060 1.168 7.090 236 HA VAL 27 HA VAL 27 -23.324 3.534 8.345 237 HB VAL 27 HB VAL 27 -21.206 3.873 7.130 238 1HG1 VAL 27 HG11 VAL 27 -22.660 2.706 4.743 239 2HG1 VAL 27 HG12 VAL 27 -21.385 1.907 5.647 240 3HG1 VAL 27 HG13 VAL 27 -21.028 3.361 4.728 241 1HG2 VAL 27 HG21 VAL 27 -22.977 5.008 5.072 242 2HG2 VAL 27 HG22 VAL 27 -21.899 5.830 6.197 243 3HG2 VAL 27 HG23 VAL 27 -23.508 5.339 6.719 244 NH1 ARG 28 NH2 ARG 28 -24.798 -3.884 4.021 245 NH2 ARG 28 NH1 ARG 28 -24.870 -2.914 1.953 246 H ARG 28 HN ARG 28 -25.022 1.427 7.904 247 HA ARG 28 HA ARG 28 -26.713 2.342 5.612 248 1HB ARG 28 HB1 ARG 28 -27.679 -0.050 5.865 249 2HB ARG 28 HB2 ARG 28 -26.302 -0.377 6.910 250 1HG ARG 28 HG1 ARG 28 -25.120 0.820 4.725 251 2HG ARG 28 HG2 ARG 28 -26.410 -0.119 3.991 252 1HD ARG 28 HD1 ARG 28 -25.623 -2.086 5.417 253 2HD ARG 28 HD2 ARG 28 -24.196 -1.123 5.794 254 HE ARG 28 HE ARG 28 -23.730 -1.097 3.317 255 1HH1 ARG 28 HH21 ARG 28 -24.645 -3.791 5.006 256 2HH1 ARG 28 HH22 ARG 28 -25.040 -4.773 3.635 257 1HH2 ARG 28 HH11 ARG 28 -24.773 -2.096 1.387 258 2HH2 ARG 28 HH12 ARG 28 -25.114 -3.788 1.531 259 HA PRO 29 HA PRO 29 -28.982 3.288 9.551 260 1HB PRO 29 HB1 PRO 29 -29.267 5.560 9.394 261 2HB PRO 29 HB2 PRO 29 -30.409 5.351 8.066 262 1HG PRO 29 HG1 PRO 29 -27.620 6.216 7.936 263 2HG PRO 29 HG2 PRO 29 -28.811 6.169 6.634 264 1HD PRO 29 HD1 PRO 29 -27.904 4.256 5.794 265 2HD PRO 29 HD2 PRO 29 -26.585 4.417 6.966 266 OH TYR 30 OH TYR 30 -32.429 7.425 3.123 267 H TYR 30 HN TYR 30 -30.234 2.979 6.250 268 HA TYR 30 HA TYR 30 -32.989 2.605 6.994 269 1HB TYR 30 HB1 TYR 30 -33.169 1.547 4.704 270 2HB TYR 30 HB2 TYR 30 -31.414 1.554 4.587 271 HD1 TYR 30 HD1 TYR 30 -34.216 3.923 5.368 272 HD2 TYR 30 HD2 TYR 30 -30.415 3.395 3.531 273 HE1 TYR 30 HE1 TYR 30 -34.287 6.235 4.552 274 HE2 TYR 30 HE2 TYR 30 -30.485 5.706 2.722 275 HH TYR 30 HH TYR 30 -31.611 7.599 2.653 276 H HIS 31 HN HIS 31 -33.090 1.157 8.744 277 HA HIS 31 HA HIS 31 -32.115 -1.619 8.265 278 1HB HIS 31 HB1 HIS 31 -33.056 -1.719 10.792 279 2HB HIS 31 HB2 HIS 31 -32.850 0.027 10.675 280 HD1 HIS 31 HD1 HIS 31 -30.976 -2.833 11.441 281 HD2 HIS 31 HD2 HIS 31 -30.086 0.694 9.643 282 HE1 HIS 31 HE1 HIS 31 -28.560 -2.651 11.584 283 H CYS 32 HN CYS 32 -33.466 -3.410 8.274 284 HA CYS 32 HA CYS 32 -36.200 -2.950 7.447 285 1HB CYS 32 HB1 CYS 32 -34.585 -5.413 8.206 286 2HB CYS 32 HB2 CYS 32 -35.108 -4.929 6.614 287 H THR 33 HN THR 33 -38.083 -3.150 8.585 288 HA THR 33 HA THR 33 -37.997 -2.713 11.419 289 HB THR 33 HB THR 33 -40.468 -3.811 9.996 290 HG1 THR 33 HG1 THR 33 -40.538 -2.005 8.826 291 1HG2 THR 33 HG21 THR 33 -39.931 -1.435 11.875 292 2HG2 THR 33 HG22 THR 33 -40.611 -2.974 12.398 293 3HG2 THR 33 HG23 THR 33 -41.519 -1.936 11.303 294 OH TYR 34 OH TYR 34 -43.897 -5.907 8.806 295 H TYR 34 HN TYR 34 -37.740 -5.536 9.590 296 HA TYR 34 HA TYR 34 -38.503 -7.233 11.928 297 1HB TYR 34 HB1 TYR 34 -38.843 -9.047 10.305 298 2HB TYR 34 HB2 TYR 34 -38.162 -8.072 9.011 299 HD1 TYR 34 HD2 TYR 34 -39.387 -5.796 8.517 300 HD2 TYR 34 HD1 TYR 34 -41.170 -9.003 10.672 301 HE1 TYR 34 HE2 TYR 34 -41.606 -4.883 8.039 302 HE2 TYR 34 HE1 TYR 34 -43.393 -8.090 10.177 303 HH TYR 34 HH TYR 34 -44.518 -6.639 8.768 304 H CYS 35 HN CYS 35 -36.365 -7.724 9.129 305 HA CYS 35 HA CYS 35 -34.484 -9.299 10.610 306 1HB CYS 35 HB1 CYS 35 -33.070 -9.119 8.665 307 2HB CYS 35 HB2 CYS 35 -33.810 -7.625 8.176 308 H ASN 36 HN ASN 36 -32.079 -8.604 10.457 309 HA ASN 36 HA ASN 36 -31.869 -6.001 11.902 310 1HB ASN 36 HB1 ASN 36 -29.810 -8.256 11.815 311 2HB ASN 36 HB2 ASN 36 -31.120 -8.243 12.993 312 1HD2 ASN 36 HD21 ASN 36 -31.086 -6.583 14.656 313 2HD2 ASN 36 HD22 ASN 36 -29.698 -5.652 14.956 314 H PHE 37 HN PHE 37 -31.591 -7.181 8.927 315 HA PHE 37 HA PHE 37 -28.969 -6.215 8.137 316 1HB PHE 37 HB1 PHE 37 -31.297 -6.523 6.226 317 2HB PHE 37 HB2 PHE 37 -30.611 -7.963 6.979 318 HD1 PHE 37 HD2 PHE 37 -28.100 -8.375 6.729 319 HD2 PHE 37 HD1 PHE 37 -30.168 -5.449 4.428 320 HE1 PHE 37 HE2 PHE 37 -26.251 -8.334 5.112 321 HE2 PHE 37 HE1 PHE 37 -28.316 -5.410 2.816 322 HZ PHE 37 HZ PHE 37 -26.356 -6.851 3.158 323 H SER 38 HN SER 38 -28.843 -4.529 6.342 324 HA SER 38 HA SER 38 -30.912 -2.471 6.484 325 1HB SER 38 HB1 SER 38 -28.090 -1.757 7.383 326 2HB SER 38 HB2 SER 38 -29.360 -2.190 8.535 327 HG SER 38 HG1 SER 38 -29.084 0.055 6.978 328 H PHE 39 HN PHE 39 -30.299 -0.543 5.159 329 HA PHE 39 HA PHE 39 -28.372 -1.263 3.001 330 1HB PHE 39 HB1 PHE 39 -30.032 -0.750 1.329 331 2HB PHE 39 HB2 PHE 39 -31.085 0.022 2.514 332 HD1 PHE 39 HD2 PHE 39 -32.130 -1.412 4.325 333 HD2 PHE 39 HD1 PHE 39 -30.166 -3.128 0.963 334 HE1 PHE 39 HE2 PHE 39 -33.189 -3.568 4.813 335 HE2 PHE 39 HE1 PHE 39 -31.229 -5.290 1.455 336 HZ PHE 39 HZ PHE 39 -32.729 -5.513 3.392 337 H LYS 40 HN LYS 40 -27.758 0.581 1.673 338 HA LYS 40 HA LYS 40 -27.324 2.940 3.369 339 1HB LYS 40 HB1 LYS 40 -26.396 2.175 0.561 340 2HB LYS 40 HB2 LYS 40 -25.468 2.014 2.037 341 1HG LYS 40 HG1 LYS 40 -26.379 4.627 0.778 342 2HG LYS 40 HG2 LYS 40 -24.733 4.016 0.835 343 1HD LYS 40 HD1 LYS 40 -25.205 3.919 3.440 344 2HD LYS 40 HD2 LYS 40 -26.405 5.143 3.048 345 1HE LYS 40 HE1 LYS 40 -24.321 6.272 3.578 346 2HE LYS 40 HE2 LYS 40 -24.598 6.427 1.849 347 1HZ LYS 40 HZ1 LYS 40 -23.133 4.488 1.531 348 2HZ LYS 40 HZ2 LYS 40 -22.789 4.500 3.193 349 3HZ LYS 40 HZ3 LYS 40 -22.340 5.820 2.223 350 H THR 41 HN THR 41 -29.445 1.989 0.847 351 HA THR 41 HA THR 41 -30.303 4.844 0.531 352 HB THR 41 HB THR 41 -30.829 4.368 -1.798 353 HG1 THR 41 HG1 THR 41 -30.605 2.038 -2.358 354 1HG2 THR 41 HG21 THR 41 -28.242 4.146 -1.075 355 2HG2 THR 41 HG22 THR 41 -28.723 3.615 -2.682 356 3HG2 THR 41 HG23 THR 41 -28.508 2.434 -1.394 357 H LYS 42 HN LYS 42 -32.535 5.206 0.179 358 HA LYS 42 HA LYS 42 -34.190 3.542 1.856 359 1HB LYS 42 HB1 LYS 42 -34.958 5.852 0.010 360 2HB LYS 42 HB2 LYS 42 -34.429 6.049 1.677 361 1HG LYS 42 HG1 LYS 42 -36.585 5.785 2.301 362 2HG LYS 42 HG2 LYS 42 -36.461 4.107 1.788 363 1HD LYS 42 HD1 LYS 42 -37.113 4.759 -0.510 364 2HD LYS 42 HD2 LYS 42 -37.235 6.438 0.001 365 1HE LYS 42 HE1 LYS 42 -38.845 5.392 1.853 366 2HE LYS 42 HE2 LYS 42 -39.026 4.125 0.647 367 1HZ LYS 42 HZ1 LYS 42 -40.567 6.198 0.634 368 2HZ LYS 42 HZ2 LYS 42 -40.014 5.531 -0.827 369 3HZ LYS 42 HZ3 LYS 42 -39.271 6.921 -0.193 370 H GLY 43 HN GLY 43 -33.443 3.660 -1.477 371 1HA GLY 43 HA1 GLY 43 -34.339 2.515 -3.328 372 2HA GLY 43 HA2 GLY 43 -35.897 2.542 -2.503 373 H ASN 44 HN ASN 44 -32.715 1.000 -2.055 374 HA ASN 44 HA ASN 44 -33.414 -1.634 -2.487 375 1HB ASN 44 HB1 ASN 44 -31.644 -2.142 -0.657 376 2HB ASN 44 HB2 ASN 44 -31.549 -0.399 -0.416 377 1HD2 ASN 44 HD21 ASN 44 -29.441 -2.206 -1.511 378 2HD2 ASN 44 HD22 ASN 44 -29.079 -1.613 -3.059 379 H LEU 45 HN LEU 45 -34.129 0.323 0.329 380 HA LEU 45 HA LEU 45 -34.926 -1.738 2.099 381 1HB LEU 45 HB1 LEU 45 -36.273 0.994 1.814 382 2HB LEU 45 HB2 LEU 45 -34.688 0.810 2.543 383 HG LEU 45 HG LEU 45 -36.385 0.897 4.299 384 1HD1 LEU 45 HD11 LEU 45 -38.330 -0.382 4.371 385 2HD1 LEU 45 HD12 LEU 45 -37.685 -1.647 3.341 386 3HD1 LEU 45 HD13 LEU 45 -38.171 -0.111 2.642 387 1HD2 LEU 45 HD21 LEU 45 -35.682 -2.028 4.263 388 2HD2 LEU 45 HD22 LEU 45 -35.585 -0.867 5.577 389 3HD2 LEU 45 HD23 LEU 45 -34.390 -0.841 4.289 390 H THR 46 HN THR 46 -36.972 0.239 -0.048 391 HA THR 46 HA THR 46 -39.369 -1.201 0.380 392 HB THR 46 HB THR 46 -38.395 0.199 -2.187 393 HG1 THR 46 HG1 THR 46 -39.684 0.938 0.227 394 1HG2 THR 46 HG21 THR 46 -41.022 0.655 -2.177 395 2HG2 THR 46 HG22 THR 46 -41.099 -0.774 -1.151 396 3HG2 THR 46 HG23 THR 46 -40.464 -0.900 -2.788 397 H LYS 47 HN LYS 47 -36.656 -1.841 -1.760 398 HA LYS 47 HA LYS 47 -37.938 -3.910 -3.288 399 1HB LYS 47 HB1 LYS 47 -34.992 -3.458 -2.603 400 2HB LYS 47 HB2 LYS 47 -35.826 -2.835 -4.021 401 1HG LYS 47 HG1 LYS 47 -36.374 -5.276 -4.588 402 2HG LYS 47 HG2 LYS 47 -35.208 -5.722 -3.348 403 1HD LYS 47 HD1 LYS 47 -33.670 -5.572 -5.023 404 2HD LYS 47 HD2 LYS 47 -33.807 -3.833 -4.780 405 1HE LYS 47 HE1 LYS 47 -34.185 -4.144 -7.109 406 2HE LYS 47 HE2 LYS 47 -35.791 -3.933 -6.424 407 1HZ LYS 47 HZ1 LYS 47 -35.800 -6.459 -6.249 408 2HZ LYS 47 HZ2 LYS 47 -34.491 -6.418 -7.331 409 3HZ LYS 47 HZ3 LYS 47 -35.993 -5.772 -7.791 410 H HIS 48 HN HIS 48 -35.935 -3.982 -0.357 411 HA HIS 48 HA HIS 48 -35.898 -6.841 -0.130 412 1HB HIS 48 HB1 HIS 48 -35.577 -4.580 1.898 413 2HB HIS 48 HB2 HIS 48 -34.308 -5.573 1.188 414 HD1 HIS 48 HD1 HIS 48 -34.683 -8.217 1.864 415 HD2 HIS 48 HD2 HIS 48 -36.417 -5.482 4.359 416 HE1 HIS 48 HE1 HIS 48 -35.114 -9.423 3.950 417 H MET 49 HN MET 49 -38.211 -4.400 0.818 418 HA MET 49 HA MET 49 -39.749 -6.249 2.486 419 1HB MET 49 HB1 MET 49 -41.468 -4.278 2.263 420 2HB MET 49 HB2 MET 49 -40.175 -3.427 1.425 421 1HG MET 49 HG1 MET 49 -38.689 -3.814 3.362 422 2HG MET 49 HG2 MET 49 -39.986 -4.630 4.193 423 1HE MET 49 HE1 MET 49 -39.337 -1.563 6.352 424 2HE MET 49 HE2 MET 49 -38.407 -2.888 5.652 425 3HE MET 49 HE3 MET 49 -39.950 -3.214 6.440 426 H LYS 50 HN LYS 50 -39.991 -4.893 -0.769 427 HA LYS 50 HA LYS 50 -42.549 -5.869 -1.456 428 1HB LYS 50 HB1 LYS 50 -40.209 -5.935 -3.396 429 2HB LYS 50 HB2 LYS 50 -40.829 -4.396 -2.808 430 1HG LYS 50 HG1 LYS 50 -43.103 -5.038 -3.592 431 2HG LYS 50 HG2 LYS 50 -42.443 -6.539 -4.230 432 1HD LYS 50 HD1 LYS 50 -40.834 -5.118 -5.600 433 2HD LYS 50 HD2 LYS 50 -41.776 -3.716 -5.108 434 1HE LYS 50 HE1 LYS 50 -42.846 -6.141 -6.587 435 2HE LYS 50 HE2 LYS 50 -42.561 -4.553 -7.289 436 1HZ LYS 50 HZ1 LYS 50 -44.616 -4.053 -6.702 437 2HZ LYS 50 HZ2 LYS 50 -44.128 -4.109 -5.077 438 3HZ LYS 50 HZ3 LYS 50 -44.793 -5.488 -5.812 439 H SER 51 HN SER 51 -39.842 -7.619 -0.563 440 HA SER 51 HA SER 51 -40.212 -9.931 -2.275 441 1HB SER 51 HB1 SER 51 -38.903 -9.873 0.492 442 2HB SER 51 HB2 SER 51 -38.068 -9.322 -0.975 443 HG SER 51 HG1 SER 51 -37.768 -11.580 -0.564 444 H LYS 52 HN LYS 52 -40.585 -12.125 -1.134 445 HA LYS 52 HA LYS 52 -43.193 -11.877 0.256 446 1HB LYS 52 HB1 LYS 52 -43.375 -13.452 -1.504 447 2HB LYS 52 HB2 LYS 52 -43.028 -14.506 -0.141 448 1HG LYS 52 HG1 LYS 52 -41.398 -15.276 -1.581 449 2HG LYS 52 HG2 LYS 52 -40.498 -13.946 -0.860 450 1HD LYS 52 HD1 LYS 52 -40.201 -13.466 -3.117 451 2HD LYS 52 HD2 LYS 52 -41.667 -12.548 -2.804 452 1HE LYS 52 HE1 LYS 52 -42.987 -14.593 -3.514 453 2HE LYS 52 HE2 LYS 52 -41.466 -15.317 -4.022 454 1HZ LYS 52 HZ1 LYS 52 -42.933 -13.069 -5.180 455 2HZ LYS 52 HZ2 LYS 52 -42.127 -14.351 -5.948 456 3HZ LYS 52 HZ3 LYS 52 -41.239 -13.061 -5.292 457 H ALA 53 HN ALA 53 -40.376 -11.573 1.445 458 HA ALA 53 HA ALA 53 -40.020 -13.793 3.250 459 1HB ALA 53 HB1 ALA 53 -39.119 -10.883 3.540 460 2HB ALA 53 HB2 ALA 53 -38.222 -12.125 2.672 461 3HB ALA 53 HB3 ALA 53 -38.448 -12.258 4.413 462 H HIS 54 HN HIS 54 -40.714 -10.470 4.286 463 HA HIS 54 HA HIS 54 -42.965 -11.483 5.915 464 1HB HIS 54 HB1 HIS 54 -41.409 -11.588 7.637 465 2HB HIS 54 HB2 HIS 54 -41.805 -9.878 7.760 466 HD1 HIS 54 HD1 HIS 54 -39.182 -12.096 6.393 467 HD2 HIS 54 HD2 HIS 54 -39.711 -8.100 7.081 468 HE1 HIS 54 HE1 HIS 54 -36.968 -11.087 6.131 469 H SER 55 HN SER 55 -44.260 -10.277 4.510 470 HA SER 55 HA SER 55 -44.386 -7.419 5.271 471 1HB SER 55 HB1 SER 55 -43.116 -7.300 3.183 472 2HB SER 55 HB2 SER 55 -44.790 -6.922 2.729 473 HG SER 55 HG1 SER 55 -44.297 -9.598 2.892 474 H LYS 56 HN LYS 56 -45.855 -10.227 3.772 475 HA LYS 56 HA LYS 56 -48.440 -9.112 3.304 476 1HB LYS 56 HB1 LYS 56 -49.184 -11.490 3.268 477 2HB LYS 56 HB2 LYS 56 -47.684 -11.981 4.046 478 1HG LYS 56 HG1 LYS 56 -46.400 -11.102 2.114 479 2HG LYS 56 HG2 LYS 56 -47.905 -10.630 1.334 480 1HD LYS 56 HD1 LYS 56 -48.518 -12.825 0.879 481 2HD LYS 56 HD2 LYS 56 -47.624 -13.471 2.249 482 1HE LYS 56 HE1 LYS 56 -45.512 -13.151 1.113 483 2HE LYS 56 HE2 LYS 56 -46.287 -12.252 -0.184 484 1HZ LYS 56 HZ1 LYS 56 -45.738 -14.839 -0.320 485 2HZ LYS 56 HZ2 LYS 56 -47.019 -14.115 -1.166 486 3HZ LYS 56 HZ3 LYS 56 -47.316 -14.921 0.299 487 H LYS 57 HN LYS 57 -47.846 -11.565 5.787 488 HA LYS 57 HA LYS 57 -50.058 -10.893 7.370 489 1HB LYS 57 HB1 LYS 57 -48.764 -12.064 9.222 490 2HB LYS 57 HB2 LYS 57 -47.357 -12.077 8.164 491 1HG LYS 57 HG1 LYS 57 -48.252 -14.150 7.633 492 2HG LYS 57 HG2 LYS 57 -49.100 -13.156 6.453 493 1HD LYS 57 HD1 LYS 57 -51.012 -12.938 8.016 494 2HD LYS 57 HD2 LYS 57 -50.165 -13.939 9.189 495 1HE LYS 57 HE1 LYS 57 -50.558 -14.985 6.401 496 2HE LYS 57 HE2 LYS 57 -51.909 -15.032 7.525 497 1HZ LYS 57 HZ1 LYS 57 -51.034 -16.803 8.469 498 2HZ LYS 57 HZ2 LYS 57 -49.615 -15.947 8.845 499 3HZ LYS 57 LYS 57 -49.743 -16.774 7.367 Start of MODEL 11 Raw file had 499 H/Q atoms Start of MODEL 11 1 1H LYS 1 HT1 LYS 1 -8.385 -2.224 -9.800 2 2H LYS 1 HT2 LYS 1 -7.888 -3.114 -11.158 3 3H LYS 1 HT3 LYS 1 -7.587 -3.709 -9.597 4 HA LYS 1 HA LYS 1 -9.981 -3.825 -11.211 5 1HB LYS 1 HB1 LYS 1 -10.285 -5.901 -9.967 6 2HB LYS 1 HB2 LYS 1 -9.147 -5.392 -8.725 7 1HG LYS 1 HG1 LYS 1 -7.312 -5.428 -10.375 8 2HG LYS 1 HG2 LYS 1 -8.445 -5.904 -11.636 9 1HD LYS 1 HD1 LYS 1 -8.674 -7.640 -9.307 10 2HD LYS 1 HD2 LYS 1 -7.028 -7.628 -9.930 11 1HE LYS 1 HE1 LYS 1 -7.813 -8.204 -12.162 12 2HE LYS 1 HE2 LYS 1 -9.490 -8.051 -11.654 13 1HZ LYS 1 HZ1 LYS 1 -9.238 -10.271 -11.444 14 2HZ LYS 1 HZ2 LYS 1 -8.694 -9.822 -9.898 15 3HZ LYS 1 HZ3 LYS 1 -7.573 -10.182 -11.122 16 OH TYR 2 OH TYR 2 -7.168 2.456 -8.541 17 H TYR 2 HN TYR 2 -11.080 -1.905 -10.625 18 HA TYR 2 HA TYR 2 -11.840 -1.600 -7.778 19 1HB TYR 2 HB1 TYR 2 -12.960 0.482 -8.609 20 2HB TYR 2 HB2 TYR 2 -12.532 0.046 -10.260 21 HD1 TYR 2 HD2 TYR 2 -11.108 0.906 -6.941 22 HD2 TYR 2 HD1 TYR 2 -10.332 0.472 -11.098 23 HE1 TYR 2 HE2 TYR 2 -8.935 2.003 -6.649 24 HE2 TYR 2 HE1 TYR 2 -8.152 1.555 -10.805 25 HH TYR 2 HH TYR 2 -6.975 2.485 -7.601 26 H ILE 3 HN ILE 3 -12.859 -3.910 -8.526 27 HA ILE 3 HA ILE 3 -15.755 -3.325 -9.008 28 HB ILE 3 HB ILE 3 -14.309 -5.907 -9.752 29 1HG1 ILE 3 HG11 ILE 3 -13.298 -4.073 -11.030 30 2HG1 ILE 3 HG12 ILE 3 -14.891 -3.483 -11.491 31 1HG2 ILE 3 HG21 ILE 3 -16.337 -6.450 -10.856 32 2HG2 ILE 3 HG22 ILE 3 -16.805 -4.763 -11.039 33 3HG2 ILE 3 HG23 ILE 3 -16.945 -5.549 -9.470 34 1HD1 ILE 3 HD1 ILE 3 -15.319 -5.364 -12.863 35 2HD1 ILE 3 HD2 ILE 3 -14.060 -6.325 -12.092 36 3HD1 ILE 3 HD3 ILE 3 -13.623 -5.009 -13.177 37 H CYS 4 HN CYS 4 -17.161 -4.185 -7.555 38 HA CYS 4 HA CYS 4 -16.047 -5.331 -5.164 39 1HB CYS 4 HB1 CYS 4 -18.088 -3.891 -5.202 40 2HB CYS 4 HB2 CYS 4 -18.917 -5.179 -6.009 41 H GLU 5 HN GLU 5 -15.290 -7.320 -5.198 42 HA GLU 5 HA GLU 5 -16.098 -9.371 -6.949 43 1HB GLU 5 HB1 GLU 5 -14.911 -10.883 -5.400 44 2HB GLU 5 HB2 GLU 5 -15.033 -9.700 -4.104 45 1HG GLU 5 HG1 GLU 5 -13.466 -8.256 -5.102 46 2HG GLU 5 HG2 GLU 5 -13.705 -8.950 -6.704 47 H GLU 6 HN GLU 6 -17.701 -8.061 -4.254 48 HA GLU 6 HA GLU 6 -19.295 -10.470 -3.786 49 1HB GLU 6 HB1 GLU 6 -19.811 -7.758 -2.533 50 2HB GLU 6 HB2 GLU 6 -18.443 -8.726 -1.998 51 1HG GLU 6 HG1 GLU 6 -20.384 -9.215 -0.581 52 2HG GLU 6 HG2 GLU 6 -20.005 -10.632 -1.556 53 H CYS 7 HN CYS 7 -20.214 -7.051 -4.243 54 HA CYS 7 HA CYS 7 -22.832 -7.756 -5.233 55 1HB CYS 7 HB1 CYS 7 -22.967 -5.367 -5.841 56 2HB CYS 7 HB2 CYS 7 -21.255 -5.193 -5.657 57 H GLY 8 HN GLY 8 -20.015 -6.336 -6.848 58 1HA GLY 8 HA1 GLY 8 -20.954 -7.557 -9.414 59 2HA GLY 8 HA2 GLY 8 -19.253 -7.354 -8.998 60 H ILE 9 HN ILE 9 -20.367 -4.714 -7.712 61 HA ILE 9 HA ILE 9 -21.213 -3.015 -9.806 62 HB ILE 9 HB ILE 9 -21.172 -2.577 -7.260 63 1HG1 ILE 9 HG11 ILE 9 -20.447 -0.639 -9.422 64 2HG1 ILE 9 HG12 ILE 9 -20.381 -0.075 -7.755 65 1HG2 ILE 9 HG21 ILE 9 -18.417 -1.437 -7.838 66 2HG2 ILE 9 HG22 ILE 9 -18.579 -3.113 -7.335 67 3HG2 ILE 9 HG23 ILE 9 -19.136 -1.822 -6.279 68 1HD1 ILE 9 HD1 ILE 9 -22.782 -1.597 -8.765 69 2HD1 ILE 9 HD2 ILE 9 -22.644 0.137 -9.037 70 3HD1 ILE 9 HD3 ILE 9 -22.677 -0.498 -7.394 71 NH1 ARG 10 NH1 ARG 10 -17.165 -4.625 -17.525 72 NH2 ARG 10 NH2 ARG 10 -18.882 -5.590 -16.367 73 H ARG 10 HN ARG 10 -20.141 -1.750 -11.259 74 HA ARG 10 HA ARG 10 -17.206 -2.258 -11.525 75 1HB ARG 10 HB1 ARG 10 -19.186 -1.368 -13.671 76 2HB ARG 10 HB2 ARG 10 -18.813 -3.056 -13.356 77 1HG ARG 10 HG1 ARG 10 -16.323 -1.675 -13.583 78 2HG ARG 10 HG2 ARG 10 -17.327 -1.156 -14.929 79 1HD ARG 10 HD1 ARG 10 -16.822 -4.052 -14.159 80 2HD ARG 10 HD2 ARG 10 -16.034 -3.207 -15.491 81 HE ARG 10 HE ARG 10 -18.888 -2.997 -15.758 82 1HH1 ARG 10 HH11 ARG 10 -16.541 -3.853 -17.646 83 2HH1 ARG 10 HH12 ARG 10 -17.114 -5.411 -18.142 84 1HH2 ARG 10 HH21 ARG 10 -19.544 -5.540 -15.619 85 2HH2 ARG 10 HH22 ARG 10 -18.860 -6.391 -16.963 86 H ABA 11 HN ABU 11 -16.215 -0.543 -10.589 87 HA ABA 11 HA ABU 11 -16.952 2.167 -11.630 88 1HB ABA 11 HB1 ABU 11 -16.602 3.094 -9.419 89 2HB ABA 11 HB2 ABU 11 -15.940 1.589 -8.820 90 1HG ABA 11 HG1 ABU 11 -18.136 0.495 -9.125 91 2HG ABA 11 HG2 ABU 11 -18.801 2.004 -9.735 92 3HG ABA 11 HG3 ABU 11 -18.274 1.887 -8.060 93 H LYS 12 HN LYS 12 -15.245 1.855 -13.146 94 HA LYS 12 HA LYS 12 -12.611 1.148 -12.686 95 1HB LYS 12 HB1 LYS 12 -12.055 2.548 -14.627 96 2HB LYS 12 HB2 LYS 12 -13.509 3.511 -14.395 97 1HG LYS 12 HG1 LYS 12 -14.928 1.622 -14.921 98 2HG LYS 12 HG2 LYS 12 -13.553 0.524 -14.926 99 1HD LYS 12 HD1 LYS 12 -13.263 2.846 -16.732 100 2HD LYS 12 HD2 LYS 12 -14.567 1.747 -17.169 101 1HE LYS 12 HE1 LYS 12 -11.807 0.722 -16.481 102 2HE LYS 12 HE2 LYS 12 -12.212 1.231 -18.115 103 1HZ LYS 12 HZ1 LYS 12 -13.022 -0.788 -18.407 104 2HZ LYS 12 HZ2 LYS 12 -14.284 -0.386 -17.343 105 3HZ LYS 12 HZ3 LYS 12 -12.894 -1.169 -16.757 106 H LYS 13 HN LYS 13 -14.223 3.927 -11.431 107 HA LYS 13 HA LYS 13 -11.641 5.245 -10.846 108 1HB LYS 13 HB1 LYS 13 -13.042 7.163 -10.140 109 2HB LYS 13 HB2 LYS 13 -14.490 6.171 -10.283 110 1HG LYS 13 HG1 LYS 13 -14.019 5.855 -12.703 111 2HG LYS 13 HG2 LYS 13 -12.597 6.882 -12.551 112 1HD LYS 13 HD1 LYS 13 -14.137 8.479 -13.214 113 2HD LYS 13 HD2 LYS 13 -14.379 8.559 -11.473 114 1HE LYS 13 HE1 LYS 13 -16.576 8.282 -12.198 115 2HE LYS 13 HE2 LYS 13 -16.108 6.607 -11.937 116 1HZ LYS 13 HZ1 LYS 13 -15.299 7.123 -14.480 117 2HZ LYS 13 HZ2 LYS 13 -16.775 7.953 -14.367 118 3HZ LYS 13 HZ3 LYS 13 -16.710 6.289 -14.031 119 HA PRO 14 HA PRO 14 -11.566 3.658 -6.676 120 1HB PRO 14 HB1 PRO 14 -9.517 4.513 -6.060 121 2HB PRO 14 HB2 PRO 14 -10.338 5.969 -5.499 122 1HG PRO 14 HG1 PRO 14 -8.558 5.803 -7.703 123 2HG PRO 14 HG2 PRO 14 -9.602 7.171 -7.314 124 1HD PRO 14 HD1 PRO 14 -10.754 6.722 -9.245 125 2HD PRO 14 HD2 PRO 14 -9.875 5.194 -9.454 126 H SER 15 HN SER 15 -11.840 7.193 -6.324 127 HA SER 15 HA SER 15 -13.322 7.573 -4.129 128 1HB SER 15 HB1 SER 15 -12.844 9.282 -6.040 129 2HB SER 15 HB2 SER 15 -14.390 9.500 -5.195 130 HG SER 15 HG1 SER 15 -14.236 9.218 -7.681 131 H MET 16 HN MET 16 -14.852 6.487 -7.154 132 HA MET 16 HA MET 16 -17.463 6.232 -5.977 133 1HB MET 16 HB1 MET 16 -17.726 4.603 -8.037 134 2HB MET 16 HB2 MET 16 -16.104 5.142 -8.460 135 1HG MET 16 HG1 MET 16 -17.456 6.661 -9.594 136 2HG MET 16 HG2 MET 16 -17.005 7.522 -8.148 137 1HE MET 16 HE1 MET 16 -21.062 6.462 -9.740 138 2HE MET 16 HE2 MET 16 -19.619 5.476 -9.978 139 3HE MET 16 HE3 MET 16 -19.657 7.139 -10.565 140 H LEU 17 HN LEU 17 -14.919 3.830 -6.697 141 HA LEU 17 HA LEU 17 -16.370 1.655 -5.497 142 1HB LEU 17 HB1 LEU 17 -13.341 1.834 -5.712 143 2HB LEU 17 HB2 LEU 17 -14.325 1.624 -7.142 144 HG LEU 17 HG LEU 17 -13.470 -0.550 -6.250 145 1HD1 LEU 17 HD11 LEU 17 -13.622 0.281 -3.820 146 2HD1 LEU 17 HD12 LEU 17 -14.062 -1.392 -4.130 147 3HD1 LEU 17 HD13 LEU 17 -15.314 -0.187 -3.889 148 1HD2 LEU 17 HD21 LEU 17 -15.833 -0.204 -7.371 149 2HD2 LEU 17 HD22 LEU 17 -16.448 -0.630 -5.786 150 3HD2 LEU 17 HD23 LEU 17 -15.421 -1.755 -6.663 151 H LYS 18 HN LYS 18 -13.519 3.485 -4.388 152 HA LYS 18 HA LYS 18 -13.052 2.561 -1.891 153 1HB LYS 18 HB1 LYS 18 -12.762 5.037 -1.182 154 2HB LYS 18 HB2 LYS 18 -13.372 5.462 -2.776 155 1HG LYS 18 HG1 LYS 18 -11.565 4.105 -3.814 156 2HG LYS 18 HG2 LYS 18 -10.938 3.732 -2.214 157 1HD LYS 18 HD1 LYS 18 -11.224 6.529 -3.373 158 2HD LYS 18 HD2 LYS 18 -9.715 5.631 -3.266 159 1HE LYS 18 HE1 LYS 18 -10.429 5.431 -0.699 160 2HE LYS 18 HE2 LYS 18 -11.329 6.893 -1.081 161 1HZ LYS 18 HZ1 LYS 18 -9.103 7.637 -2.120 162 2HZ LYS 18 HZ2 LYS 18 -8.428 6.440 -1.122 163 3HZ LYS 18 HZ3 LYS 18 -9.310 7.719 -0.436 164 H LYS 19 HN LYS 19 -15.683 4.843 -2.619 165 HA LYS 19 HA LYS 19 -16.726 4.785 0.046 166 1HB LYS 19 HB1 LYS 19 -18.871 5.573 -1.386 167 2HB LYS 19 HB2 LYS 19 -17.658 5.752 -2.650 168 1HG LYS 19 HG1 LYS 19 -16.310 7.191 -1.159 169 2HG LYS 19 HG2 LYS 19 -17.510 7.003 0.114 170 1HD LYS 19 HD1 LYS 19 -19.192 8.132 -1.203 171 2HD LYS 19 HD2 LYS 19 -18.163 8.117 -2.631 172 1HE LYS 19 HE1 LYS 19 -16.894 9.880 -1.894 173 2HE LYS 19 HE2 LYS 19 -16.985 9.374 -0.212 174 1HZ LYS 19 HZ1 LYS 19 -18.799 10.599 0.150 175 2HZ LYS 19 HZ2 LYS 19 -19.487 10.248 -1.362 176 3HZ LYS 19 HZ3 LYS 19 -18.303 11.457 -1.229 177 H HIS 20 HN HIS 20 -17.415 2.994 -2.902 178 HA HIS 20 HA HIS 20 -19.778 1.684 -2.055 179 1HB HIS 20 HB1 HIS 20 -17.537 0.611 -3.822 180 2HB HIS 20 HB2 HIS 20 -18.899 1.564 -4.400 181 HD1 HIS 20 HD1 HIS 20 -20.820 0.105 -5.041 182 HD2 HIS 20 HD2 HIS 20 -18.315 -1.860 -2.506 183 HE1 HIS 20 HE1 HIS 20 -21.730 -2.159 -4.848 184 H ILE 21 HN ILE 21 -16.378 0.613 -1.805 185 HA ILE 21 HA ILE 21 -17.016 -1.808 -0.435 186 HB ILE 21 HB ILE 21 -14.711 -0.853 -1.476 187 1HG1 ILE 21 HG11 ILE 21 -15.144 -2.831 0.767 188 2HG1 ILE 21 HG12 ILE 21 -13.537 -2.562 0.106 189 1HG2 ILE 21 HG21 ILE 21 -14.637 0.830 0.527 190 2HG2 ILE 21 HG22 ILE 21 -13.173 -0.074 0.210 191 3HG2 ILE 21 HG23 ILE 21 -14.235 -0.555 1.527 192 1HD1 ILE 21 HD1 ILE 21 -15.350 -4.344 -0.930 193 2HD1 ILE 21 HD2 ILE 21 -14.034 -3.628 -1.852 194 3HD1 ILE 21 HD3 ILE 21 -15.647 -2.933 -1.938 195 NH1 ARG 22 NH1 ARG 22 -15.124 6.690 4.710 196 NH2 ARG 22 NH2 ARG 22 -12.863 6.483 4.953 197 H ARG 22 HN ARG 22 -16.687 1.475 0.671 198 HA ARG 22 HA ARG 22 -16.561 0.735 3.496 199 1HB ARG 22 HB1 ARG 22 -17.280 3.264 3.685 200 2HB ARG 22 HB2 ARG 22 -17.066 3.303 1.939 201 1HG ARG 22 HG1 ARG 22 -14.744 2.418 2.247 202 2HG ARG 22 HG2 ARG 22 -14.970 2.515 3.989 203 1HD ARG 22 HD1 ARG 22 -15.769 5.030 2.976 204 2HD ARG 22 HD2 ARG 22 -14.275 4.629 2.133 205 HE ARG 22 HE ARG 22 -13.640 4.041 4.731 206 1HH1 ARG 22 HH11 ARG 22 -16.000 6.277 4.459 207 2HH1 ARG 22 HH12 ARG 22 -15.090 7.641 5.017 208 1HH2 ARG 22 HH21 ARG 22 -12.042 5.916 4.885 209 2HH2 ARG 22 HH22 ARG 22 -12.790 7.431 5.266 210 H THR 23 HN THR 23 -19.051 0.946 1.155 211 HA THR 23 HA THR 23 -21.152 1.531 3.092 212 HB THR 23 HB THR 23 -21.652 0.188 0.393 213 HG1 THR 23 HG1 THR 23 -20.825 2.840 1.026 214 1HG2 THR 23 HG21 THR 23 -22.932 2.734 1.364 215 2HG2 THR 23 HG22 THR 23 -23.359 1.288 2.275 216 3HG2 THR 23 HG23 THR 23 -23.696 1.374 0.547 217 H HIS 24 HN HIS 24 -19.277 -1.166 2.539 218 HA HIS 24 HA HIS 24 -21.444 -3.101 3.153 219 1HB HIS 24 HB1 HIS 24 -19.307 -4.689 3.148 220 2HB HIS 24 HB2 HIS 24 -18.504 -3.311 2.404 221 HD1 HIS 24 HD1 HIS 24 -21.705 -5.200 1.748 222 HD2 HIS 24 HD2 HIS 24 -18.703 -3.357 -0.305 223 HE1 HIS 24 HE1 HIS 24 -22.227 -5.526 -0.653 224 H THR 25 HN THR 25 -19.732 -0.975 4.910 225 HA THR 25 HA THR 25 -18.971 -2.803 7.102 226 HB THR 25 HB THR 25 -18.538 -0.378 8.179 227 HG1 THR 25 HG1 THR 25 -18.171 0.897 6.093 228 1HG2 THR 25 HG21 THR 25 -16.541 -1.539 7.433 229 2HG2 THR 25 HG22 THR 25 -16.547 -0.063 6.475 230 3HG2 THR 25 HG23 THR 25 -17.108 -1.573 5.767 231 H ASP 26 HN ASP 26 -20.325 0.245 7.873 232 HA ASP 26 HA ASP 26 -22.972 -0.796 8.522 233 1HB ASP 26 HB1 ASP 26 -22.595 -0.105 11.014 234 2HB ASP 26 HB2 ASP 26 -20.873 -0.178 10.647 235 H VAL 27 HN VAL 27 -21.691 1.279 6.994 236 HA VAL 27 HA VAL 27 -22.483 3.750 8.410 237 HB VAL 27 HB VAL 27 -20.348 3.763 7.226 238 1HG1 VAL 27 HG11 VAL 27 -21.983 2.787 4.881 239 2HG1 VAL 27 HG12 VAL 27 -20.668 1.947 5.695 240 3HG1 VAL 27 HG13 VAL 27 -20.332 3.377 4.727 241 1HG2 VAL 27 HG21 VAL 27 -20.629 5.834 6.325 242 2HG2 VAL 27 HG22 VAL 27 -22.315 5.651 6.798 243 3HG2 VAL 27 HG23 VAL 27 -21.813 5.258 5.156 244 NH1 ARG 28 NH1 ARG 28 -24.442 -2.981 5.715 245 NH2 ARG 28 NH2 ARG 28 -24.915 -2.076 7.759 246 H ARG 28 HN ARG 28 -24.628 2.167 7.919 247 HA ARG 28 HA ARG 28 -26.069 3.545 5.682 248 1HB ARG 28 HB1 ARG 28 -27.563 1.423 5.843 249 2HB ARG 28 HB2 ARG 28 -26.283 0.735 6.836 250 1HG ARG 28 HG1 ARG 28 -24.788 1.629 4.777 251 2HG ARG 28 HG2 ARG 28 -26.294 1.341 3.920 252 1HD ARG 28 HD1 ARG 28 -24.911 -0.694 3.890 253 2HD ARG 28 HD2 ARG 28 -26.361 -0.968 4.855 254 HE ARG 28 HE ARG 28 -23.986 -0.080 6.359 255 1HH1 ARG 28 HH11 ARG 28 -24.240 -2.846 4.744 256 2HH1 ARG 28 HH12 ARG 28 -24.487 -3.906 6.092 257 1HH2 ARG 28 HH21 ARG 28 -25.067 -1.263 8.321 258 2HH2 ARG 28 HH22 ARG 28 -24.968 -2.986 8.170 259 HA PRO 29 HA PRO 29 -27.919 4.782 9.784 260 1HB PRO 29 HB1 PRO 29 -27.665 7.059 9.769 261 2HB PRO 29 HB2 PRO 29 -28.799 7.215 8.427 262 1HG PRO 29 HG1 PRO 29 -25.879 7.356 8.360 263 2HG PRO 29 HG2 PRO 29 -27.021 7.699 7.059 264 1HD PRO 29 HD1 PRO 29 -26.605 5.685 6.089 265 2HD PRO 29 HD2 PRO 29 -25.323 5.417 7.281 266 OH TYR 30 OH TYR 30 -30.706 9.724 4.050 267 H TYR 30 HN TYR 30 -29.152 4.206 6.665 268 HA TYR 30 HA TYR 30 -31.941 4.775 7.480 269 1HB TYR 30 HB1 TYR 30 -32.454 3.943 5.134 270 2HB TYR 30 HB2 TYR 30 -30.738 3.645 4.908 271 HD1 TYR 30 HD1 TYR 30 -33.084 6.370 5.941 272 HD2 TYR 30 HD2 TYR 30 -29.392 5.394 4.066 273 HE1 TYR 30 HE1 TYR 30 -32.759 8.726 5.351 274 HE2 TYR 30 HE2 TYR 30 -29.061 7.753 3.493 275 HH TYR 30 HH TYR 30 -29.779 9.852 3.838 276 H HIS 31 HN HIS 31 -31.564 3.126 9.270 277 HA HIS 31 HA HIS 31 -31.689 0.309 8.412 278 1HB HIS 31 HB1 HIS 31 -31.809 -0.112 10.899 279 2HB HIS 31 HB2 HIS 31 -31.887 1.626 11.165 280 HD1 HIS 31 HD1 HIS 31 -29.515 -0.993 10.577 281 HD2 HIS 31 HD2 HIS 31 -29.487 3.055 10.320 282 HE1 HIS 31 HE1 HIS 31 -27.166 -0.389 10.496 283 H CYS 32 HN CYS 32 -33.528 -0.857 8.163 284 HA CYS 32 HA CYS 32 -36.078 0.394 8.180 285 1HB CYS 32 HB1 CYS 32 -35.137 -2.487 8.239 286 2HB CYS 32 HB2 CYS 32 -35.921 -1.629 6.937 287 H THR 33 HN THR 33 -37.611 0.641 9.731 288 HA THR 33 HA THR 33 -36.869 0.548 12.478 289 HB THR 33 HB THR 33 -39.701 0.509 11.261 290 HG1 THR 33 HG1 THR 33 -37.746 2.164 10.947 291 1HG2 THR 33 HG21 THR 33 -38.528 1.470 13.935 292 2HG2 THR 33 HG22 THR 33 -39.751 0.219 13.739 293 3HG2 THR 33 HG23 THR 33 -40.142 1.898 13.379 294 OH TYR 34 OH TYR 34 -43.916 -0.325 10.871 295 H TYR 34 HN TYR 34 -38.170 -1.868 10.382 296 HA TYR 34 HA TYR 34 -38.784 -3.637 12.687 297 1HB TYR 34 HB1 TYR 34 -39.973 -5.022 11.057 298 2HB TYR 34 HB2 TYR 34 -39.256 -4.142 9.712 299 HD1 TYR 34 HD2 TYR 34 -39.763 -1.582 9.595 300 HD2 TYR 34 HD1 TYR 34 -42.037 -4.301 11.947 301 HE1 TYR 34 HE2 TYR 34 -41.611 0.023 9.660 302 HE2 TYR 34 HE1 TYR 34 -43.890 -2.694 12.002 303 HH TYR 34 HH TYR 34 -43.754 0.289 11.592 304 H CYS 35 HN CYS 35 -37.500 -4.428 9.465 305 HA CYS 35 HA CYS 35 -35.911 -6.598 10.434 306 1HB CYS 35 HB1 CYS 35 -35.002 -6.700 8.233 307 2HB CYS 35 HB2 CYS 35 -35.200 -4.991 7.977 308 H ASN 36 HN ASN 36 -33.466 -6.454 9.477 309 HA ASN 36 HA ASN 36 -32.179 -4.278 11.076 310 1HB ASN 36 HB1 ASN 36 -31.288 -7.130 10.416 311 2HB ASN 36 HB2 ASN 36 -31.704 -6.503 12.008 312 1HD2 ASN 36 HD21 ASN 36 -30.310 -3.922 11.609 313 2HD2 ASN 36 HD22 ASN 36 -28.649 -4.263 11.668 314 H PHE 37 HN PHE 37 -32.860 -5.201 8.012 315 HA PHE 37 HA PHE 37 -30.289 -4.716 6.745 316 1HB PHE 37 HB1 PHE 37 -32.918 -4.381 5.297 317 2HB PHE 37 HB2 PHE 37 -32.509 -5.986 5.905 318 HD1 PHE 37 HD2 PHE 37 -29.980 -6.721 5.393 319 HD2 PHE 37 HD1 PHE 37 -32.152 -3.817 3.164 320 HE1 PHE 37 HE2 PHE 37 -28.476 -7.060 3.481 321 HE2 PHE 37 HE1 PHE 37 -30.646 -4.159 1.255 322 HZ PHE 37 HZ PHE 37 -28.808 -5.780 1.412 323 H SER 38 HN SER 38 -29.435 -2.817 6.191 324 HA SER 38 HA SER 38 -31.223 -0.425 6.273 325 1HB SER 38 HB1 SER 38 -28.261 -0.485 7.005 326 2HB SER 38 HB2 SER 38 -29.554 -0.624 8.205 327 HG SER 38 HG1 SER 38 -29.382 1.427 6.253 328 H PHE 39 HN PHE 39 -30.230 1.459 5.139 329 HA PHE 39 HA PHE 39 -28.754 0.578 2.704 330 1HB PHE 39 HB1 PHE 39 -30.316 1.805 1.327 331 2HB PHE 39 HB2 PHE 39 -31.028 2.600 2.731 332 HD1 PHE 39 HD2 PHE 39 -32.499 1.338 4.271 333 HD2 PHE 39 HD1 PHE 39 -30.900 -0.507 0.781 334 HE1 PHE 39 HE2 PHE 39 -34.076 -0.527 4.529 335 HE2 PHE 39 HE1 PHE 39 -32.501 -2.353 1.029 336 HZ PHE 39 HZ PHE 39 -34.089 -2.364 2.905 337 H LYS 40 HN LYS 40 -27.777 2.393 1.545 338 HA LYS 40 HA LYS 40 -26.616 4.286 3.486 339 1HB LYS 40 HB1 LYS 40 -26.015 3.606 0.577 340 2HB LYS 40 HB2 LYS 40 -25.125 3.053 1.973 341 1HG LYS 40 HG1 LYS 40 -25.315 5.917 0.978 342 2HG LYS 40 HG2 LYS 40 -23.894 4.887 0.939 343 1HD LYS 40 HD1 LYS 40 -24.274 4.701 3.521 344 2HD LYS 40 HD2 LYS 40 -25.218 6.166 3.316 345 1HE LYS 40 HE1 LYS 40 -22.283 5.726 2.819 346 2HE LYS 40 HE2 LYS 40 -23.067 7.015 3.724 347 1HZ LYS 40 HZ1 LYS 40 -23.528 6.732 0.830 348 2HZ LYS 40 HZ2 LYS 40 -22.137 7.518 1.408 349 3HZ LYS 40 HZ3 LYS 40 -23.678 8.112 1.809 350 H THR 41 HN THR 41 -29.070 4.207 1.157 351 HA THR 41 HA THR 41 -29.214 7.186 1.230 352 HB THR 41 HB THR 41 -29.656 7.274 -1.155 353 HG1 THR 41 HG1 THR 41 -30.344 5.449 -2.185 354 1HG2 THR 41 HG21 THR 41 -27.229 6.463 -0.560 355 2HG2 THR 41 HG22 THR 41 -27.785 6.051 -2.179 356 3HG2 THR 41 HG23 THR 41 -27.807 4.835 -0.905 357 H LYS 42 HN LYS 42 -31.315 8.047 0.904 358 HA LYS 42 HA LYS 42 -33.336 6.541 2.265 359 1HB LYS 42 HB1 LYS 42 -33.811 9.037 0.598 360 2HB LYS 42 HB2 LYS 42 -32.999 9.123 2.157 361 1HG LYS 42 HG1 LYS 42 -34.929 8.760 3.311 362 2HG LYS 42 HG2 LYS 42 -35.475 7.522 2.186 363 1HD LYS 42 HD1 LYS 42 -36.316 9.155 0.649 364 2HD LYS 42 HD2 LYS 42 -35.487 10.467 1.481 365 1HE LYS 42 HE1 LYS 42 -37.755 8.792 2.610 366 2HE LYS 42 HE2 LYS 42 -37.875 10.463 2.075 367 1HZ LYS 42 HZ1 LYS 42 -35.933 10.756 3.783 368 2HZ LYS 42 HZ2 LYS 42 -36.619 9.364 4.472 369 3HZ LYS 42 HZ3 LYS 42 -37.555 10.767 4.283 370 H GLY 43 HN GLY 43 -32.338 6.677 -0.965 371 1HA GLY 43 HA1 GLY 43 -33.252 5.762 -2.927 372 2HA GLY 43 HA2 GLY 43 -34.821 6.297 -2.330 373 H ASN 44 HN ASN 44 -32.422 3.714 -2.032 374 HA ASN 44 HA ASN 44 -34.101 1.557 -2.395 375 1HB ASN 44 HB1 ASN 44 -32.459 0.374 -0.709 376 2HB ASN 44 HB2 ASN 44 -31.645 1.935 -0.648 377 1HD2 ASN 44 HD21 ASN 44 -29.757 1.111 -1.782 378 2HD2 ASN 44 HD22 ASN 44 -29.807 0.739 -3.438 379 H LEU 45 HN LEU 45 -33.514 3.278 0.639 380 HA LEU 45 HA LEU 45 -34.926 1.591 2.385 381 1HB LEU 45 HB1 LEU 45 -34.719 4.650 2.319 382 2HB LEU 45 HB2 LEU 45 -33.640 3.557 3.158 383 HG LEU 45 HG LEU 45 -35.070 4.396 4.864 384 1HD1 LEU 45 HD11 LEU 45 -37.220 5.090 4.588 385 2HD1 LEU 45 HD12 LEU 45 -37.694 3.636 3.726 386 3HD1 LEU 45 HD13 LEU 45 -36.898 4.943 2.869 387 1HD2 LEU 45 HD21 LEU 45 -36.432 1.792 4.112 388 2HD2 LEU 45 HD22 LEU 45 -36.134 2.439 5.719 389 3HD2 LEU 45 HD23 LEU 45 -34.792 1.858 4.742 390 H THR 46 HN THR 46 -36.170 4.327 0.483 391 HA THR 46 HA THR 46 -38.877 4.105 1.296 392 HB THR 46 HB THR 46 -37.858 4.941 -1.485 393 HG1 THR 46 HG1 THR 46 -37.192 6.702 -0.483 394 1HG2 THR 46 HG21 THR 46 -40.125 6.076 0.235 395 2HG2 THR 46 HG22 THR 46 -40.430 4.811 -0.951 396 3HG2 THR 46 HG23 THR 46 -39.831 6.383 -1.474 397 H LYS 47 HN LYS 47 -37.060 2.373 -1.168 398 HA LYS 47 HA LYS 47 -39.380 1.126 -2.358 399 1HB LYS 47 HB1 LYS 47 -37.627 -0.471 -3.297 400 2HB LYS 47 HB2 LYS 47 -36.420 0.367 -2.329 401 1HG LYS 47 HG1 LYS 47 -37.003 2.499 -3.456 402 2HG LYS 47 HG2 LYS 47 -38.194 1.659 -4.436 403 1HD LYS 47 HD1 LYS 47 -35.208 1.078 -4.402 404 2HD LYS 47 HD2 LYS 47 -36.056 1.956 -5.667 405 1HE LYS 47 HE1 LYS 47 -36.123 -0.972 -5.020 406 2HE LYS 47 HE2 LYS 47 -36.031 -0.181 -6.587 407 1HZ LYS 47 HZ1 LYS 47 -38.373 -0.731 -4.921 408 2HZ LYS 47 HZ2 LYS 47 -38.171 -0.901 -6.597 409 3HZ LYS 47 HZ3 LYS 47 -38.398 0.641 -5.922 410 H HIS 48 HN HIS 48 -37.441 0.447 0.443 411 HA HIS 48 HA HIS 48 -38.421 -2.315 0.656 412 1HB HIS 48 HB1 HIS 48 -36.878 -0.532 2.612 413 2HB HIS 48 HB2 HIS 48 -36.179 -1.753 1.552 414 HD1 HIS 48 HD1 HIS 48 -37.193 -4.221 2.094 415 HD2 HIS 48 HD2 HIS 48 -37.608 -1.490 5.108 416 HE1 HIS 48 HE1 HIS 48 -37.650 -5.538 4.105 417 H MET 49 HN MET 49 -39.375 0.828 1.690 418 HA MET 49 HA MET 49 -41.220 -0.285 3.726 419 1HB MET 49 HB1 MET 49 -41.755 2.213 4.041 420 2HB MET 49 HB2 MET 49 -40.507 2.551 2.846 421 1HG MET 49 HG1 MET 49 -39.611 2.701 5.123 422 2HG MET 49 HG2 MET 49 -38.840 1.432 4.211 423 1HE MET 49 HE1 MET 49 -37.897 1.186 6.802 424 2HE MET 49 HE2 MET 49 -38.938 0.697 8.138 425 3HE MET 49 HE3 MET 49 -39.134 2.289 7.404 426 H LYS 50 HN LYS 50 -41.211 1.050 0.512 427 HA LYS 50 HA LYS 50 -44.001 1.666 0.323 428 1HB LYS 50 HB1 LYS 50 -42.223 0.645 -1.936 429 2HB LYS 50 HB2 LYS 50 -42.103 2.288 -1.317 430 1HG LYS 50 HG1 LYS 50 -44.115 2.923 -2.233 431 2HG LYS 50 HG2 LYS 50 -44.843 1.340 -1.991 432 1HD LYS 50 HD1 LYS 50 -44.491 1.808 -4.402 433 2HD LYS 50 HD2 LYS 50 -43.528 0.434 -3.873 434 1HE LYS 50 HE1 LYS 50 -41.525 1.641 -3.943 435 2HE LYS 50 HE2 LYS 50 -42.335 3.191 -3.753 436 1HZ LYS 50 HZ1 LYS 50 -42.265 3.413 -5.932 437 2HZ LYS 50 HZ2 LYS 50 -43.287 2.067 -6.100 438 3HZ LYS 50 HZ3 LYS 50 -41.602 1.862 -6.121 439 H SER 51 HN SER 51 -42.191 -1.221 -0.722 440 HA SER 51 HA SER 51 -44.248 -2.769 -1.737 441 1HB SER 51 HB1 SER 51 -42.049 -3.727 0.179 442 2HB SER 51 HB2 SER 51 -41.873 -3.556 -1.578 443 HG SER 51 HG1 SER 51 -43.681 -5.214 -0.155 444 H LYS 52 HN LYS 52 -45.333 -4.671 -0.668 445 HA LYS 52 HA LYS 52 -46.941 -3.668 1.532 446 1HB LYS 52 HB1 LYS 52 -48.028 -5.937 1.365 447 2HB LYS 52 HB2 LYS 52 -46.772 -6.435 0.238 448 1HG LYS 52 HG1 LYS 52 -47.956 -3.897 -0.565 449 2HG LYS 52 HG2 LYS 52 -49.183 -5.150 -0.415 450 1HD LYS 52 HD1 LYS 52 -47.989 -6.605 -1.928 451 2HD LYS 52 HD2 LYS 52 -46.583 -5.546 -1.925 452 1HE LYS 52 HE1 LYS 52 -49.288 -4.537 -2.812 453 2HE LYS 52 HE2 LYS 52 -48.222 -5.373 -3.933 454 1HZ LYS 52 HZ1 LYS 52 -48.007 -2.726 -2.810 455 2HZ LYS 52 HZ2 LYS 52 -47.391 -3.347 -4.266 456 3HZ LYS 52 HZ3 LYS 52 -46.554 -3.605 -2.811 457 H ALA 53 HN ALA 53 -43.964 -4.301 1.853 458 HA ALA 53 HA ALA 53 -43.593 -6.519 3.553 459 1HB ALA 53 HB1 ALA 53 -41.702 -5.159 2.736 460 2HB ALA 53 HB2 ALA 53 -41.672 -5.150 4.496 461 3HB ALA 53 HB3 ALA 53 -42.289 -3.753 3.620 462 H HIS 54 HN HIS 54 -42.893 -3.727 5.355 463 HA HIS 54 HA HIS 54 -45.362 -3.954 6.968 464 1HB HIS 54 HB1 HIS 54 -44.119 -5.476 8.234 465 2HB HIS 54 HB2 HIS 54 -43.602 -3.980 9.001 466 HD1 HIS 54 HD1 HIS 54 -42.252 -6.808 7.313 467 HD2 HIS 54 HD2 HIS 54 -41.047 -2.930 7.793 468 HE1 HIS 54 HE1 HIS 54 -39.849 -6.804 6.833 469 H SER 55 HN SER 55 -45.700 -1.814 6.178 470 HA SER 55 HA SER 55 -44.789 0.210 7.987 471 1HB SER 55 HB1 SER 55 -42.678 0.282 6.842 472 2HB SER 55 HB2 SER 55 -43.601 1.529 5.982 473 HG SER 55 HG1 SER 55 -44.189 -0.948 5.073 474 H LYS 56 HN LYS 56 -47.161 0.235 7.854 475 HA LYS 56 HA LYS 56 -48.425 1.186 5.414 476 1HB LYS 56 HB1 LYS 56 -50.429 1.433 6.933 477 2HB LYS 56 HB2 LYS 56 -49.399 1.065 8.312 478 1HG LYS 56 HG1 LYS 56 -48.779 -1.102 7.095 479 2HG LYS 56 HG2 LYS 56 -50.103 -0.748 5.990 480 1HD LYS 56 HD1 LYS 56 -51.688 -0.698 7.872 481 2HD LYS 56 HD2 LYS 56 -50.373 -0.979 9.007 482 1HE LYS 56 HE1 LYS 56 -49.874 -3.125 7.748 483 2HE LYS 56 HE2 LYS 56 -51.361 -2.863 6.845 484 1HZ LYS 56 HZ1 LYS 56 -50.985 -3.745 9.565 485 2HZ LYS 56 HZ2 LYS 56 -52.274 -4.025 8.495 486 3HZ LYS 56 HZ3 LYS 56 -52.199 -2.572 9.371 487 H LYS 57 HN LYS 57 -49.529 2.860 8.140 488 HA LYS 57 HA LYS 57 -49.138 5.401 6.941 489 1HB LYS 57 HB1 LYS 57 -49.791 6.262 9.248 490 2HB LYS 57 HB2 LYS 57 -49.668 4.613 9.843 491 1HG LYS 57 HG1 LYS 57 -51.989 4.943 9.333 492 2HG LYS 57 HG2 LYS 57 -51.344 3.950 8.035 493 1HD LYS 57 HD1 LYS 57 -50.992 6.740 7.354 494 2HD LYS 57 HD2 LYS 57 -52.667 6.454 7.799 495 1HE LYS 57 HE1 LYS 57 -51.095 4.795 5.800 496 2HE LYS 57 HE2 LYS 57 -52.257 6.045 5.376 497 1HZ LYS 57 HZ1 LYS 57 -53.419 4.253 7.211 498 2HZ LYS 57 HZ2 LYS 57 -52.763 3.379 5.912 499 3HZ LYS 57 LYS 57 -53.895 4.611 5.620 Start of MODEL 12 Raw file had 499 H/Q atoms Start of MODEL 12 1 1H LYS 1 HT1 LYS 1 -7.568 -3.991 -10.376 2 2H LYS 1 HT2 LYS 1 -8.107 -3.962 -8.767 3 3H LYS 1 HT3 LYS 1 -8.181 -2.553 -9.712 4 HA LYS 1 HA LYS 1 -9.797 -3.561 -11.172 5 1HB LYS 1 HB1 LYS 1 -10.042 -5.835 -11.159 6 2HB LYS 1 HB2 LYS 1 -10.573 -5.775 -9.482 7 1HG LYS 1 HG1 LYS 1 -8.214 -5.789 -8.732 8 2HG LYS 1 HG2 LYS 1 -7.681 -5.842 -10.408 9 1HD LYS 1 HD1 LYS 1 -8.786 -7.999 -10.735 10 2HD LYS 1 HD2 LYS 1 -9.461 -7.932 -9.111 11 1HE LYS 1 HE1 LYS 1 -7.200 -7.971 -8.145 12 2HE LYS 1 HE2 LYS 1 -6.493 -7.961 -9.755 13 1HZ LYS 1 HZ1 LYS 1 -8.315 -10.078 -8.764 14 2HZ LYS 1 HZ2 LYS 1 -6.620 -10.182 -8.712 15 3HZ LYS 1 HZ3 LYS 1 -7.421 -10.086 -10.207 16 OH TYR 2 OH TYR 2 -7.839 2.495 -9.012 17 H TYR 2 HN TYR 2 -11.369 -2.200 -10.684 18 HA TYR 2 HA TYR 2 -12.170 -1.852 -7.857 19 1HB TYR 2 HB1 TYR 2 -13.470 0.077 -8.755 20 2HB TYR 2 HB2 TYR 2 -13.061 -0.408 -10.398 21 HD1 TYR 2 HD2 TYR 2 -11.566 0.698 -7.172 22 HD2 TYR 2 HD1 TYR 2 -10.971 0.217 -11.356 23 HE1 TYR 2 HE2 TYR 2 -9.462 1.949 -7.018 24 HE2 TYR 2 HE1 TYR 2 -8.868 1.466 -11.201 25 HH TYR 2 HH TYR 2 -8.006 3.296 -8.511 26 H ILE 3 HN ILE 3 -12.849 -4.327 -8.950 27 HA ILE 3 HA ILE 3 -15.779 -4.114 -9.455 28 HB ILE 3 HB ILE 3 -13.667 -6.251 -9.931 29 1HG1 ILE 3 HG11 ILE 3 -15.812 -5.001 -11.688 30 2HG1 ILE 3 HG12 ILE 3 -14.625 -6.189 -12.213 31 1HG2 ILE 3 HG21 ILE 3 -15.404 -7.619 -9.052 32 2HG2 ILE 3 HG22 ILE 3 -15.830 -7.571 -10.759 33 3HG2 ILE 3 HG23 ILE 3 -16.670 -6.535 -9.614 34 1HD1 ILE 3 HD1 ILE 3 -14.223 -3.308 -11.475 35 2HD1 ILE 3 HD2 ILE 3 -13.551 -4.215 -12.824 36 3HD1 ILE 3 HD3 ILE 3 -12.902 -4.440 -11.203 37 H CYS 4 HN CYS 4 -16.799 -4.013 -7.485 38 HA CYS 4 HA CYS 4 -15.871 -5.097 -5.079 39 1HB CYS 4 HB1 CYS 4 -18.659 -4.619 -6.122 40 2HB CYS 4 HB2 CYS 4 -17.777 -3.683 -4.951 41 H GLU 5 HN GLU 5 -15.435 -7.070 -4.515 42 HA GLU 5 HA GLU 5 -16.010 -9.358 -6.082 43 1HB GLU 5 HB1 GLU 5 -15.186 -10.622 -4.081 44 2HB GLU 5 HB2 GLU 5 -15.300 -9.151 -3.121 45 1HG GLU 5 HG1 GLU 5 -13.820 -8.624 -5.553 46 2HG GLU 5 HG2 GLU 5 -13.105 -9.989 -4.699 47 H GLU 6 HN GLU 6 -17.971 -7.716 -3.789 48 HA GLU 6 HA GLU 6 -19.615 -10.081 -3.287 49 1HB GLU 6 HB1 GLU 6 -20.282 -7.246 -2.447 50 2HB GLU 6 HB2 GLU 6 -19.057 -8.171 -1.590 51 1HG GLU 6 HG1 GLU 6 -21.805 -9.316 -2.106 52 2HG GLU 6 HG2 GLU 6 -21.486 -8.307 -0.698 53 H CYS 7 HN CYS 7 -20.510 -6.774 -4.237 54 HA CYS 7 HA CYS 7 -22.884 -7.761 -5.592 55 1HB CYS 7 HB1 CYS 7 -23.383 -5.482 -5.994 56 2HB CYS 7 HB2 CYS 7 -21.708 -5.017 -5.997 57 H GLY 8 HN GLY 8 -19.845 -6.252 -6.646 58 1HA GLY 8 HA1 GLY 8 -20.296 -7.462 -9.341 59 2HA GLY 8 HA2 GLY 8 -18.718 -7.102 -8.663 60 H ILE 9 HN ILE 9 -20.146 -4.502 -7.650 61 HA ILE 9 HA ILE 9 -20.849 -2.962 -9.903 62 HB ILE 9 HB ILE 9 -21.027 -2.412 -7.344 63 1HG1 ILE 9 HG11 ILE 9 -20.525 -0.582 -9.642 64 2HG1 ILE 9 HG12 ILE 9 -20.532 0.141 -8.038 65 1HG2 ILE 9 HG21 ILE 9 -19.188 -1.166 -6.390 66 2HG2 ILE 9 HG22 ILE 9 -18.384 -0.994 -7.941 67 3HG2 ILE 9 HG23 ILE 9 -18.426 -2.556 -7.135 68 1HD1 ILE 9 HD1 ILE 9 -22.745 -0.806 -7.581 69 2HD1 ILE 9 HD2 ILE 9 -22.730 -1.649 -9.126 70 3HD1 ILE 9 HD3 ILE 9 -22.806 0.109 -9.084 71 NH1 ARG 10 NH2 ARG 10 -18.518 -2.414 -17.530 72 NH2 ARG 10 NH1 ARG 10 -16.989 -4.067 -17.918 73 H ARG 10 HN ARG 10 -19.708 -2.206 -11.554 74 HA ARG 10 HA ARG 10 -16.742 -2.383 -11.403 75 1HB ARG 10 HB1 ARG 10 -18.591 -1.923 -13.794 76 2HB ARG 10 HB2 ARG 10 -17.983 -3.497 -13.296 77 1HG ARG 10 HG1 ARG 10 -15.635 -2.176 -13.436 78 2HG ARG 10 HG2 ARG 10 -16.544 -1.233 -14.610 79 1HD ARG 10 HD1 ARG 10 -15.973 -4.206 -14.651 80 2HD ARG 10 HD2 ARG 10 -15.563 -3.004 -15.874 81 HE ARG 10 HE ARG 10 -18.375 -3.863 -15.306 82 1HH1 ARG 10 HH21 ARG 10 -19.051 -1.877 -16.877 83 2HH1 ARG 10 HH22 ARG 10 -18.609 -2.242 -18.511 84 1HH2 ARG 10 HH11 ARG 10 -16.376 -4.769 -17.554 85 2HH2 ARG 10 HH12 ARG 10 -17.054 -3.923 -18.905 86 H ABA 11 HN ABU 11 -16.114 -0.507 -10.403 87 HA ABA 11 HA ABU 11 -16.909 2.050 -11.765 88 1HB ABA 11 HB1 ABU 11 -16.462 3.162 -9.613 89 2HB ABA 11 HB2 ABU 11 -15.894 1.662 -8.913 90 1HG ABA 11 HG1 ABU 11 -18.023 1.306 -8.219 91 2HG ABA 11 HG2 ABU 11 -18.437 1.031 -9.907 92 3HG ABA 11 HG3 ABU 11 -18.628 2.633 -9.204 93 H LYS 12 HN LYS 12 -15.274 2.202 -13.236 94 HA LYS 12 HA LYS 12 -12.569 1.538 -12.828 95 1HB LYS 12 HB1 LYS 12 -12.143 2.906 -14.818 96 2HB LYS 12 HB2 LYS 12 -13.644 3.793 -14.578 97 1HG LYS 12 HG1 LYS 12 -14.971 1.843 -15.054 98 2HG LYS 12 HG2 LYS 12 -13.560 0.793 -14.997 99 1HD LYS 12 HD1 LYS 12 -12.716 1.607 -17.043 100 2HD LYS 12 HD2 LYS 12 -13.679 3.078 -16.960 101 1HE LYS 12 HE1 LYS 12 -14.429 1.122 -18.560 102 2HE LYS 12 HE2 LYS 12 -15.639 1.994 -17.627 103 1HZ LYS 12 HZ1 LYS 12 -15.333 0.226 -15.890 104 2HZ LYS 12 HZ2 LYS 12 -14.457 -0.654 -17.050 105 3HZ LYS 12 HZ3 LYS 12 -16.087 -0.269 -17.329 106 H LYS 13 HN LYS 13 -14.196 3.764 -11.060 107 HA LYS 13 HA LYS 13 -11.776 5.479 -10.752 108 1HB LYS 13 HB1 LYS 13 -13.501 7.149 -9.773 109 2HB LYS 13 HB2 LYS 13 -14.733 6.073 -10.422 110 1HG LYS 13 HG1 LYS 13 -13.836 6.334 -12.678 111 2HG LYS 13 HG2 LYS 13 -12.491 7.292 -12.067 112 1HD LYS 13 HD1 LYS 13 -13.838 9.144 -11.617 113 2HD LYS 13 HD2 LYS 13 -15.295 8.170 -11.445 114 1HE LYS 13 HE1 LYS 13 -13.924 8.220 -14.111 115 2HE LYS 13 HE2 LYS 13 -14.877 9.621 -13.638 116 1HZ LYS 13 HZ1 LYS 13 -15.845 7.372 -14.777 117 2HZ LYS 13 HZ2 LYS 13 -16.766 8.519 -13.928 118 3HZ LYS 13 HZ3 LYS 13 -16.202 7.128 -13.134 119 HA PRO 14 HA PRO 14 -11.499 3.845 -6.602 120 1HB PRO 14 HB1 PRO 14 -9.480 4.800 -6.024 121 2HB PRO 14 HB2 PRO 14 -10.359 6.213 -5.442 122 1HG PRO 14 HG1 PRO 14 -8.625 6.125 -7.693 123 2HG PRO 14 HG2 PRO 14 -9.708 7.451 -7.266 124 1HD PRO 14 HD1 PRO 14 -10.911 6.970 -9.158 125 2HD PRO 14 HD2 PRO 14 -9.964 5.493 -9.421 126 H SER 15 HN SER 15 -11.951 7.362 -6.235 127 HA SER 15 HA SER 15 -13.450 7.540 -3.979 128 1HB SER 15 HB1 SER 15 -12.936 9.450 -5.613 129 2HB SER 15 HB2 SER 15 -14.597 9.509 -4.988 130 HG SER 15 HG1 SER 15 -14.146 7.877 -7.185 131 H MET 16 HN MET 16 -14.758 6.500 -7.109 132 HA MET 16 HA MET 16 -17.460 6.239 -6.137 133 1HB MET 16 HB1 MET 16 -17.585 4.645 -8.218 134 2HB MET 16 HB2 MET 16 -15.923 5.146 -8.521 135 1HG MET 16 HG1 MET 16 -16.907 6.834 -9.662 136 2HG MET 16 HG2 MET 16 -17.030 7.551 -8.077 137 1HE MET 16 HE1 MET 16 -20.213 5.275 -10.312 138 2HE MET 16 HE2 MET 16 -18.456 5.194 -10.437 139 3HE MET 16 HE3 MET 16 -19.341 6.480 -11.259 140 H LEU 17 HN LEU 17 -14.920 3.801 -6.798 141 HA LEU 17 HA LEU 17 -16.436 1.654 -5.642 142 1HB LEU 17 HB1 LEU 17 -13.397 1.778 -5.728 143 2HB LEU 17 HB2 LEU 17 -14.312 1.597 -7.207 144 HG LEU 17 HG LEU 17 -13.521 -0.596 -6.239 145 1HD1 LEU 17 HD11 LEU 17 -14.398 -1.457 -4.209 146 2HD1 LEU 17 HD12 LEU 17 -15.591 -0.176 -4.075 147 3HD1 LEU 17 HD13 LEU 17 -13.886 0.182 -3.834 148 1HD2 LEU 17 HD21 LEU 17 -16.538 -0.593 -6.105 149 2HD2 LEU 17 HD22 LEU 17 -15.457 -1.788 -6.805 150 3HD2 LEU 17 HD23 LEU 17 -15.718 -0.254 -7.619 151 H LYS 18 HN LYS 18 -13.575 3.379 -4.465 152 HA LYS 18 HA LYS 18 -13.188 2.490 -1.956 153 1HB LYS 18 HB1 LYS 18 -13.429 5.386 -2.883 154 2HB LYS 18 HB2 LYS 18 -11.959 4.431 -2.742 155 1HG LYS 18 HG1 LYS 18 -12.842 4.259 -0.190 156 2HG LYS 18 HG2 LYS 18 -13.534 5.816 -0.627 157 1HD LYS 18 HD1 LYS 18 -11.303 6.596 -1.372 158 2HD LYS 18 HD2 LYS 18 -10.611 5.038 -0.938 159 1HE LYS 18 HE1 LYS 18 -12.180 6.465 1.165 160 2HE LYS 18 HE2 LYS 18 -10.596 7.116 0.763 161 1HZ LYS 18 HZ1 LYS 18 -11.253 4.407 1.750 162 2HZ LYS 18 HZ2 LYS 18 -10.253 5.577 2.472 163 3HZ LYS 18 HZ3 LYS 18 -9.749 4.785 1.057 164 H LYS 19 HN LYS 19 -15.790 4.797 -2.752 165 HA LYS 19 HA LYS 19 -16.837 4.765 -0.077 166 1HB LYS 19 HB1 LYS 19 -18.917 5.452 -1.908 167 2HB LYS 19 HB2 LYS 19 -17.431 6.053 -2.627 168 1HG LYS 19 HG1 LYS 19 -18.215 6.592 0.257 169 2HG LYS 19 HG2 LYS 19 -18.587 7.687 -1.067 170 1HD LYS 19 HD1 LYS 19 -16.387 8.321 -1.355 171 2HD LYS 19 HD2 LYS 19 -15.758 6.758 -0.846 172 1HE LYS 19 HE1 LYS 19 -15.289 8.529 0.835 173 2HE LYS 19 HE2 LYS 19 -16.321 7.266 1.493 174 1HZ LYS 19 HZ1 LYS 19 -17.422 9.739 0.303 175 2HZ LYS 19 HZ2 LYS 19 -16.997 9.634 1.945 176 3HZ LYS 19 HZ3 LYS 19 -18.203 8.617 1.314 177 H HIS 20 HN HIS 20 -17.638 3.087 -3.071 178 HA HIS 20 HA HIS 20 -20.006 1.801 -2.223 179 1HB HIS 20 HB1 HIS 20 -17.802 0.772 -4.055 180 2HB HIS 20 HB2 HIS 20 -19.197 1.711 -4.577 181 HD1 HIS 20 HD1 HIS 20 -21.120 0.239 -5.188 182 HD2 HIS 20 HD2 HIS 20 -18.499 -1.764 -2.805 183 HE1 HIS 20 HE1 HIS 20 -22.000 -2.040 -5.025 184 H ILE 21 HN ILE 21 -16.645 0.624 -2.102 185 HA ILE 21 HA ILE 21 -17.294 -1.817 -0.797 186 HB ILE 21 HB ILE 21 -15.005 -0.872 -1.866 187 1HG1 ILE 21 HG11 ILE 21 -15.367 -2.896 0.354 188 2HG1 ILE 21 HG12 ILE 21 -13.807 -2.653 -0.420 189 1HG2 ILE 21 HG21 ILE 21 -14.839 0.746 0.181 190 2HG2 ILE 21 HG22 ILE 21 -13.401 -0.168 -0.214 191 3HG2 ILE 21 HG23 ILE 21 -14.425 -0.673 1.125 192 1HD1 ILE 21 HD1 ILE 21 -15.833 -4.323 -1.347 193 2HD1 ILE 21 HD2 ILE 21 -14.456 -3.765 -2.289 194 3HD1 ILE 21 HD3 ILE 21 -15.986 -2.902 -2.373 195 NH1 ARG 22 NH1 ARG 22 -12.905 5.836 4.401 196 NH2 ARG 22 NH2 ARG 22 -14.662 6.283 5.791 197 H ARG 22 HN ARG 22 -16.827 1.417 0.460 198 HA ARG 22 HA ARG 22 -16.603 0.562 3.233 199 1HB ARG 22 HB1 ARG 22 -17.319 3.077 3.568 200 2HB ARG 22 HB2 ARG 22 -17.187 3.191 1.817 201 1HG ARG 22 HG1 ARG 22 -14.857 2.446 1.904 202 2HG ARG 22 HG2 ARG 22 -14.974 2.184 3.640 203 1HD ARG 22 HD1 ARG 22 -15.793 4.887 2.786 204 2HD ARG 22 HD2 ARG 22 -14.097 4.520 2.477 205 HE ARG 22 HE ARG 22 -14.902 3.743 5.157 206 1HH1 ARG 22 HH11 ARG 22 -12.480 5.236 3.723 207 2HH1 ARG 22 HH12 ARG 22 -12.437 6.670 4.693 208 1HH2 ARG 22 HH21 ARG 22 -15.555 6.016 6.155 209 2HH2 ARG 22 HH22 ARG 22 -14.224 7.123 6.107 210 H THR 23 HN THR 23 -19.260 0.964 1.061 211 HA THR 23 HA THR 23 -21.232 1.449 3.125 212 HB THR 23 HB THR 23 -21.659 0.205 0.336 213 HG1 THR 23 HG1 THR 23 -22.079 2.524 -0.044 214 1HG2 THR 23 HG21 THR 23 -23.857 0.230 1.218 215 2HG2 THR 23 HG22 THR 23 -23.746 1.949 0.867 216 3HG2 THR 23 HG23 THR 23 -23.434 1.359 2.497 217 H HIS 24 HN HIS 24 -19.530 -1.358 2.120 218 HA HIS 24 HA HIS 24 -21.608 -3.245 3.001 219 1HB HIS 24 HB1 HIS 24 -19.546 -4.869 2.849 220 2HB HIS 24 HB2 HIS 24 -18.689 -3.493 2.165 221 HD1 HIS 24 HD1 HIS 24 -21.960 -5.225 1.442 222 HD2 HIS 24 HD2 HIS 24 -18.900 -3.399 -0.531 223 HE1 HIS 24 HE1 HIS 24 -22.473 -5.472 -0.966 224 H THR 25 HN THR 25 -19.973 -1.114 4.715 225 HA THR 25 HA THR 25 -18.993 -2.928 6.828 226 HB THR 25 HB THR 25 -18.398 -0.642 7.898 227 HG1 THR 25 HG1 THR 25 -19.965 -0.020 5.720 228 1HG2 THR 25 HG21 THR 25 -16.741 0.023 6.137 229 2HG2 THR 25 HG22 THR 25 -17.600 -0.961 4.956 230 3HG2 THR 25 HG23 THR 25 -16.750 -1.732 6.292 231 H ASP 26 HN ASP 26 -20.291 0.010 7.839 232 HA ASP 26 HA ASP 26 -22.953 -0.968 8.470 233 1HB ASP 26 HB1 ASP 26 -22.454 -0.586 11.017 234 2HB ASP 26 HB2 ASP 26 -20.756 -0.746 10.573 235 H VAL 27 HN VAL 27 -21.574 1.183 7.147 236 HA VAL 27 HA VAL 27 -22.219 3.518 8.860 237 HB VAL 27 HB VAL 27 -20.054 3.493 7.667 238 1HG1 VAL 27 HG11 VAL 27 -19.949 3.451 5.222 239 2HG1 VAL 27 HG12 VAL 27 -21.703 3.361 5.123 240 3HG1 VAL 27 HG13 VAL 27 -20.792 2.022 5.797 241 1HG2 VAL 27 HG21 VAL 27 -21.919 5.573 7.612 242 2HG2 VAL 27 HG22 VAL 27 -21.313 5.505 5.960 243 3HG2 VAL 27 HG23 VAL 27 -20.193 5.726 7.301 244 NH1 ARG 28 NH2 ARG 28 -26.045 -2.539 6.863 245 NH2 ARG 28 NH1 ARG 28 -24.305 -2.876 5.421 246 H ARG 28 HN ARG 28 -24.441 2.108 8.098 247 HA ARG 28 HA ARG 28 -25.701 3.826 6.005 248 1HB ARG 28 HB1 ARG 28 -27.380 1.881 5.933 249 2HB ARG 28 HB2 ARG 28 -26.249 0.990 6.944 250 1HG ARG 28 HG1 ARG 28 -24.509 1.701 5.091 251 2HG ARG 28 HG2 ARG 28 -25.946 1.893 4.097 252 1HD ARG 28 HD1 ARG 28 -25.063 -0.393 3.863 253 2HD ARG 28 HD2 ARG 28 -26.629 -0.433 4.670 254 HE ARG 28 HE ARG 28 -24.473 -0.272 6.592 255 1HH1 ARG 28 HH21 ARG 28 -26.644 -1.902 7.347 256 2HH1 ARG 28 HH22 ARG 28 -26.161 -3.525 6.983 257 1HH2 ARG 28 HH11 ARG 28 -23.601 -2.492 4.824 258 2HH2 ARG 28 HH12 ARG 28 -24.392 -3.867 5.517 259 HA PRO 29 HA PRO 29 -27.693 4.907 10.055 260 1HB PRO 29 HB1 PRO 29 -27.109 7.118 10.273 261 2HB PRO 29 HB2 PRO 29 -28.244 7.545 8.993 262 1HG PRO 29 HG1 PRO 29 -25.347 7.476 8.851 263 2HG PRO 29 HG2 PRO 29 -26.480 7.955 7.587 264 1HD PRO 29 HD1 PRO 29 -26.140 5.992 6.487 265 2HD PRO 29 HD2 PRO 29 -24.917 5.559 7.692 266 OH TYR 30 OH TYR 30 -28.699 10.840 4.723 267 H TYR 30 HN TYR 30 -28.695 5.358 6.733 268 HA TYR 30 HA TYR 30 -31.475 5.912 7.396 269 1HB TYR 30 HB1 TYR 30 -31.834 5.579 4.948 270 2HB TYR 30 HB2 TYR 30 -30.222 4.896 4.794 271 HD1 TYR 30 HD1 TYR 30 -31.842 7.956 6.234 272 HD2 TYR 30 HD2 TYR 30 -28.538 6.362 4.080 273 HE1 TYR 30 HE1 TYR 30 -30.928 10.214 5.964 274 HE2 TYR 30 HE2 TYR 30 -27.622 8.621 3.815 275 HH TYR 30 HH TYR 30 -29.324 11.460 5.107 276 H HIS 31 HN HIS 31 -32.429 4.356 8.603 277 HA HIS 31 HA HIS 31 -32.350 1.541 7.567 278 1HB HIS 31 HB1 HIS 31 -32.966 0.896 9.905 279 2HB HIS 31 HB2 HIS 31 -33.012 2.596 10.363 280 HD1 HIS 31 HD1 HIS 31 -30.556 0.114 9.150 281 HD2 HIS 31 HD2 HIS 31 -30.589 3.674 11.090 282 HE1 HIS 31 HE1 HIS 31 -28.249 0.486 9.806 283 H CYS 32 HN CYS 32 -34.245 0.542 7.020 284 HA CYS 32 HA CYS 32 -36.559 2.098 6.503 285 1HB CYS 32 HB1 CYS 32 -36.012 -0.858 6.790 286 2HB CYS 32 HB2 CYS 32 -36.450 0.032 5.357 287 H THR 33 HN THR 33 -38.579 2.203 7.560 288 HA THR 33 HA THR 33 -38.336 2.161 10.481 289 HB THR 33 HB THR 33 -40.619 2.950 8.575 290 HG1 THR 33 HG1 THR 33 -38.384 4.047 9.647 291 1HG2 THR 33 HG21 THR 33 -41.867 2.660 10.572 292 2HG2 THR 33 HG22 THR 33 -41.136 4.218 10.946 293 3HG2 THR 33 HG23 THR 33 -40.428 2.739 11.585 294 OH TYR 34 OH TYR 34 -44.607 2.425 8.496 295 H TYR 34 HN TYR 34 -38.475 -0.331 8.722 296 HA TYR 34 HA TYR 34 -40.313 -1.785 10.513 297 1HB TYR 34 HB1 TYR 34 -41.505 -2.864 8.639 298 2HB TYR 34 HB2 TYR 34 -40.502 -2.014 7.468 299 HD1 TYR 34 HD2 TYR 34 -40.779 0.432 7.137 300 HD2 TYR 34 HD1 TYR 34 -43.311 -1.713 9.797 301 HE1 TYR 34 HE2 TYR 34 -42.355 2.309 7.150 302 HE2 TYR 34 HE1 TYR 34 -44.885 0.169 9.809 303 HH TYR 34 HH TYR 34 -45.364 2.173 9.029 304 H CYS 35 HN CYS 35 -38.738 -2.569 7.426 305 HA CYS 35 HA CYS 35 -37.811 -5.120 8.228 306 1HB CYS 35 HB1 CYS 35 -36.312 -4.976 6.307 307 2HB CYS 35 HB2 CYS 35 -36.381 -3.238 6.316 308 H ASN 36 HN ASN 36 -35.086 -5.082 7.602 309 HA ASN 36 HA ASN 36 -33.899 -3.577 9.894 310 1HB ASN 36 HB1 ASN 36 -33.357 -6.458 9.006 311 2HB ASN 36 HB2 ASN 36 -34.147 -5.974 10.505 312 1HD2 ASN 36 HD21 ASN 36 -32.514 -3.886 11.384 313 2HD2 ASN 36 HD22 ASN 36 -30.945 -4.464 11.679 314 H PHE 37 HN PHE 37 -34.010 -3.757 6.702 315 HA PHE 37 HA PHE 37 -31.158 -3.849 6.070 316 1HB PHE 37 HB1 PHE 37 -33.263 -2.654 4.250 317 2HB PHE 37 HB2 PHE 37 -33.285 -4.389 4.556 318 HD1 PHE 37 HD2 PHE 37 -31.113 -5.705 4.128 319 HD2 PHE 37 HD1 PHE 37 -31.712 -1.732 2.713 320 HE1 PHE 37 HE2 PHE 37 -29.300 -6.009 2.500 321 HE2 PHE 37 HE1 PHE 37 -29.897 -2.043 1.087 322 HZ PHE 37 HZ PHE 37 -28.692 -4.180 0.978 323 H SER 38 HN SER 38 -29.967 -2.056 5.200 324 HA SER 38 HA SER 38 -31.070 0.617 5.858 325 1HB SER 38 HB1 SER 38 -28.242 -0.149 6.657 326 2HB SER 38 HB2 SER 38 -29.597 -0.438 7.753 327 HG SER 38 HG1 SER 38 -29.388 2.022 6.425 328 H PHE 39 HN PHE 39 -30.047 2.346 4.800 329 HA PHE 39 HA PHE 39 -28.322 1.536 2.489 330 1HB PHE 39 HB1 PHE 39 -29.606 2.993 1.092 331 2HB PHE 39 HB2 PHE 39 -30.283 3.851 2.474 332 HD1 PHE 39 HD2 PHE 39 -31.866 2.584 4.021 333 HD2 PHE 39 HD1 PHE 39 -30.713 1.054 0.221 334 HE1 PHE 39 HE2 PHE 39 -33.814 1.091 4.032 335 HE2 PHE 39 HE1 PHE 39 -32.658 -0.446 0.240 336 HZ PHE 39 HZ PHE 39 -34.214 -0.423 2.142 337 H LYS 40 HN LYS 40 -26.851 3.133 1.733 338 HA LYS 40 HA LYS 40 -25.772 4.788 3.895 339 1HB LYS 40 HB1 LYS 40 -24.926 4.196 1.023 340 2HB LYS 40 HB2 LYS 40 -24.209 3.557 2.485 341 1HG LYS 40 HG1 LYS 40 -24.107 6.466 1.595 342 2HG LYS 40 HG2 LYS 40 -22.779 5.323 1.547 343 1HD LYS 40 HD1 LYS 40 -23.123 5.027 4.065 344 2HD LYS 40 HD2 LYS 40 -24.144 6.456 3.994 345 1HE LYS 40 HE1 LYS 40 -21.948 7.251 4.526 346 2HE LYS 40 HE2 LYS 40 -22.196 7.628 2.827 347 1HZ LYS 40 HZ1 LYS 40 -20.949 5.079 3.591 348 2HZ LYS 40 HZ2 LYS 40 -20.022 6.502 3.575 349 3HZ LYS 40 HZ3 LYS 40 -20.785 5.970 2.154 350 H THR 41 HN THR 41 -27.890 5.185 1.270 351 HA THR 41 HA THR 41 -27.593 8.159 1.461 352 HB THR 41 HB THR 41 -28.106 8.300 -0.892 353 HG1 THR 41 HG1 THR 41 -29.827 7.062 -1.161 354 1HG2 THR 41 HG21 THR 41 -25.934 6.814 -0.290 355 2HG2 THR 41 HG22 THR 41 -26.527 6.815 -1.947 356 3HG2 THR 41 HG23 THR 41 -26.932 5.483 -0.868 357 H LYS 42 HN LYS 42 -29.501 9.394 1.237 358 HA LYS 42 HA LYS 42 -31.743 8.185 2.620 359 1HB LYS 42 HB1 LYS 42 -31.311 10.974 1.454 360 2HB LYS 42 HB2 LYS 42 -31.067 10.509 3.135 361 1HG LYS 42 HG1 LYS 42 -33.570 9.725 3.006 362 2HG LYS 42 HG2 LYS 42 -33.647 10.794 1.610 363 1HD LYS 42 HD1 LYS 42 -32.451 12.499 3.255 364 2HD LYS 42 HD2 LYS 42 -33.167 11.474 4.493 365 1HE LYS 42 HE1 LYS 42 -34.925 12.945 4.158 366 2HE LYS 42 HE2 LYS 42 -35.329 11.735 2.947 367 1HZ LYS 42 HZ1 LYS 42 -34.833 14.421 2.542 368 2HZ LYS 42 HZ2 LYS 42 -35.076 13.226 1.360 369 3HZ LYS 42 HZ3 LYS 42 -33.503 13.601 1.877 370 H GLY 43 HN GLY 43 -30.820 8.761 -0.613 371 1HA GLY 43 HA1 GLY 43 -31.961 8.438 -2.641 372 2HA GLY 43 HA2 GLY 43 -33.398 9.050 -1.826 373 H ASN 44 HN ASN 44 -31.339 6.151 -1.648 374 HA ASN 44 HA ASN 44 -33.168 4.284 -2.583 375 1HB ASN 44 HB1 ASN 44 -31.941 2.707 -0.882 376 2HB ASN 44 HB2 ASN 44 -31.003 4.132 -0.453 377 1HD2 ASN 44 HD21 ASN 44 -29.245 4.615 -1.775 378 2HD2 ASN 44 HD22 ASN 44 -28.958 3.916 -3.296 379 H LEU 45 HN LEU 45 -32.930 5.681 0.640 380 HA LEU 45 HA LEU 45 -34.742 3.997 1.997 381 1HB LEU 45 HB1 LEU 45 -34.647 7.019 2.364 382 2HB LEU 45 HB2 LEU 45 -33.275 6.027 2.825 383 HG LEU 45 HG LEU 45 -34.779 6.472 4.753 384 1HD1 LEU 45 HD11 LEU 45 -36.891 4.767 3.412 385 2HD1 LEU 45 HD12 LEU 45 -36.870 6.516 3.230 386 3HD1 LEU 45 HD13 LEU 45 -37.042 5.798 4.827 387 1HD2 LEU 45 HD21 LEU 45 -34.527 4.362 5.644 388 2HD2 LEU 45 HD22 LEU 45 -33.547 4.160 4.203 389 3HD2 LEU 45 HD23 LEU 45 -35.190 3.550 4.234 390 H THR 46 HN THR 46 -35.452 7.151 0.497 391 HA THR 46 HA THR 46 -38.253 7.025 0.738 392 HB THR 46 HB THR 46 -36.714 8.221 -1.642 393 HG1 THR 46 HG1 THR 46 -36.715 8.670 1.055 394 1HG2 THR 46 HG21 THR 46 -39.210 8.442 -1.785 395 2HG2 THR 46 HG22 THR 46 -38.521 10.000 -1.339 396 3HG2 THR 46 HG23 THR 46 -39.270 8.984 -0.110 397 H LYS 47 HN LYS 47 -36.112 5.554 -1.614 398 HA LYS 47 HA LYS 47 -38.184 4.777 -3.464 399 1HB LYS 47 HB1 LYS 47 -35.636 3.186 -3.058 400 2HB LYS 47 HB2 LYS 47 -35.539 4.821 -3.704 401 1HG LYS 47 HG1 LYS 47 -37.143 4.198 -5.494 402 2HG LYS 47 HG2 LYS 47 -37.206 2.559 -4.857 403 1HD LYS 47 HD1 LYS 47 -35.546 2.257 -6.436 404 2HD LYS 47 HD2 LYS 47 -34.540 2.785 -5.093 405 1HE LYS 47 HE1 LYS 47 -33.931 4.095 -7.042 406 2HE LYS 47 HE2 LYS 47 -34.787 5.150 -5.925 407 1HZ LYS 47 HZ1 LYS 47 -35.760 5.592 -7.955 408 2HZ LYS 47 HZ2 LYS 47 -36.845 4.485 -7.259 409 3HZ LYS 47 HZ3 LYS 47 -35.747 3.965 -8.446 410 H HIS 48 HN HIS 48 -36.494 2.997 -0.881 411 HA HIS 48 HA HIS 48 -37.939 0.563 -1.233 412 1HB HIS 48 HB1 HIS 48 -36.586 1.798 1.217 413 2HB HIS 48 HB2 HIS 48 -35.909 0.591 0.129 414 HD1 HIS 48 HD1 HIS 48 -37.550 -1.650 0.117 415 HD2 HIS 48 HD2 HIS 48 -37.687 0.677 3.477 416 HE1 HIS 48 HE1 HIS 48 -38.493 -3.084 1.859 417 H MET 49 HN MET 49 -38.866 3.577 0.106 418 HA MET 49 HA MET 49 -41.158 2.344 1.549 419 1HB MET 49 HB1 MET 49 -41.521 4.862 2.176 420 2HB MET 49 HB2 MET 49 -39.932 5.131 1.469 421 1HG MET 49 HG1 MET 49 -38.956 3.478 2.987 422 2HG MET 49 HG2 MET 49 -40.526 3.128 3.656 423 1HE MET 49 HE1 MET 49 -39.003 4.505 6.770 424 2HE MET 49 HE2 MET 49 -38.164 3.535 5.560 425 3HE MET 49 HE3 MET 49 -39.853 3.201 5.942 426 H LYS 50 HN LYS 50 -40.376 4.141 -1.309 427 HA LYS 50 HA LYS 50 -43.003 5.181 -1.843 428 1HB LYS 50 HB1 LYS 50 -40.916 4.355 -3.910 429 2HB LYS 50 HB2 LYS 50 -40.783 5.839 -2.975 430 1HG LYS 50 HG1 LYS 50 -42.916 6.638 -3.852 431 2HG LYS 50 HG2 LYS 50 -43.183 5.112 -4.686 432 1HD LYS 50 HD1 LYS 50 -41.506 5.536 -6.271 433 2HD LYS 50 HD2 LYS 50 -40.677 6.687 -5.231 434 1HE LYS 50 HE1 LYS 50 -42.463 8.318 -5.528 435 2HE LYS 50 HE2 LYS 50 -43.426 7.155 -6.429 436 1HZ LYS 50 HZ1 LYS 50 -41.047 8.638 -7.259 437 2HZ LYS 50 HZ2 LYS 50 -42.470 8.296 -8.122 438 3HZ LYS 50 HZ3 LYS 50 -41.293 7.090 -7.913 439 H SER 51 HN SER 51 -41.326 2.276 -3.042 440 HA SER 51 HA SER 51 -43.352 1.260 -4.686 441 1HB SER 51 HB1 SER 51 -41.565 -0.359 -2.788 442 2HB SER 51 HB2 SER 51 -41.078 0.203 -4.399 443 HG SER 51 HG1 SER 51 -42.841 -0.928 -5.263 444 H LYS 52 HN LYS 52 -44.447 -0.986 -3.974 445 HA LYS 52 HA LYS 52 -46.490 -0.185 -2.069 446 1HB LYS 52 HB1 LYS 52 -47.374 -2.517 -2.537 447 2HB LYS 52 HB2 LYS 52 -45.927 -2.835 -3.487 448 1HG LYS 52 HG1 LYS 52 -46.502 -1.193 -5.112 449 2HG LYS 52 HG2 LYS 52 -47.703 -0.456 -4.059 450 1HD LYS 52 HD1 LYS 52 -48.768 -1.854 -5.815 451 2HD LYS 52 HD2 LYS 52 -49.099 -2.480 -4.204 452 1HE LYS 52 HE1 LYS 52 -47.711 -4.318 -4.483 453 2HE LYS 52 HE2 LYS 52 -46.661 -3.484 -5.621 454 1HZ LYS 52 HZ1 LYS 52 -49.262 -3.694 -6.690 455 2HZ LYS 52 HZ2 LYS 52 -48.724 -5.229 -6.199 456 3HZ LYS 52 HZ3 LYS 52 -47.803 -4.317 -7.296 457 H ALA 53 HN ALA 53 -43.680 -0.552 -1.115 458 HA ALA 53 HA ALA 53 -43.461 -2.906 0.466 459 1HB ALA 53 HB1 ALA 53 -41.558 -1.355 0.081 460 2HB ALA 53 HB2 ALA 53 -41.832 -1.527 1.812 461 3HB ALA 53 HB3 ALA 53 -42.390 -0.084 0.972 462 H HIS 54 HN HIS 54 -43.102 -0.579 2.745 463 HA HIS 54 HA HIS 54 -45.906 -0.663 3.684 464 1HB HIS 54 HB1 HIS 54 -45.225 -2.549 4.878 465 2HB HIS 54 HB2 HIS 54 -44.705 -1.310 6.013 466 HD1 HIS 54 HD1 HIS 54 -43.396 -4.142 4.505 467 HD2 HIS 54 HD2 HIS 54 -41.807 -0.435 5.188 468 HE1 HIS 54 HE1 HIS 54 -40.965 -4.447 4.432 469 H SER 55 HN SER 55 -45.775 1.617 3.298 470 HA SER 55 HA SER 55 -44.907 3.062 5.669 471 1HB SER 55 HB1 SER 55 -43.591 3.917 3.050 472 2HB SER 55 HB2 SER 55 -42.794 2.777 4.151 473 HG SER 55 HG1 SER 55 -43.747 4.601 5.703 474 H LYS 56 HN LYS 56 -47.190 2.604 3.643 475 HA LYS 56 HA LYS 56 -47.729 5.436 2.914 476 1HB LYS 56 HB1 LYS 56 -49.373 4.559 1.409 477 2HB LYS 56 HB2 LYS 56 -49.504 3.046 2.296 478 1HG LYS 56 HG1 LYS 56 -47.305 2.345 1.577 479 2HG LYS 56 HG2 LYS 56 -46.966 3.922 0.879 480 1HD LYS 56 HD1 LYS 56 -49.209 2.084 -0.046 481 2HD LYS 56 HD2 LYS 56 -47.637 2.184 -0.826 482 1HE LYS 56 HE1 LYS 56 -48.375 4.846 -0.691 483 2HE LYS 56 HE2 LYS 56 -49.920 4.050 -0.958 484 1HZ LYS 56 HZ1 LYS 56 -48.130 4.673 -2.874 485 2HZ LYS 56 HZ2 LYS 56 -49.370 3.523 -3.030 486 3HZ LYS 56 HZ3 LYS 56 -47.802 3.028 -2.605 487 H LYS 57 HN LYS 57 -47.992 3.891 5.629 488 HA LYS 57 HA LYS 57 -50.686 3.815 6.400 489 1HB LYS 57 HB1 LYS 57 -48.435 4.842 8.175 490 2HB LYS 57 HB2 LYS 57 -48.575 3.142 7.742 491 1HG LYS 57 HG1 LYS 57 -50.606 2.883 8.901 492 2HG LYS 57 HG2 LYS 57 -50.949 4.610 8.878 493 1HD LYS 57 HD1 LYS 57 -48.479 3.672 10.294 494 2HD LYS 57 HD2 LYS 57 -50.033 3.435 11.084 495 1HE LYS 57 HE1 LYS 57 -49.433 6.114 9.876 496 2HE LYS 57 HE2 LYS 57 -48.686 5.700 11.414 497 1HZ LYS 57 HZ1 LYS 57 -51.586 5.729 10.804 498 2HZ LYS 57 HZ2 LYS 57 -50.745 6.802 11.817 499 3HZ LYS 57 LYS 57 -50.919 5.172 12.263 Start of MODEL 13 Raw file had 499 H/Q atoms Start of MODEL 13 1 1H LYS 1 HT1 LYS 1 -7.265 -3.302 -10.716 2 2H LYS 1 HT2 LYS 1 -7.810 -3.163 -9.113 3 3H LYS 1 HT3 LYS 1 -7.875 -1.820 -10.152 4 HA LYS 1 HA LYS 1 -9.543 -2.793 -11.488 5 1HB LYS 1 HB1 LYS 1 -8.625 -5.158 -11.239 6 2HB LYS 1 HB2 LYS 1 -10.372 -5.064 -11.049 7 1HG LYS 1 HG1 LYS 1 -10.246 -5.283 -8.694 8 2HG LYS 1 HG2 LYS 1 -8.541 -4.851 -8.657 9 1HD LYS 1 HD1 LYS 1 -7.998 -6.955 -9.868 10 2HD LYS 1 HD2 LYS 1 -9.703 -7.391 -9.848 11 1HE LYS 1 HE1 LYS 1 -9.114 -8.461 -7.905 12 2HE LYS 1 HE2 LYS 1 -9.333 -6.858 -7.213 13 1HZ LYS 1 HZ1 LYS 1 -6.838 -6.644 -8.002 14 2HZ LYS 1 HZ2 LYS 1 -6.881 -8.325 -7.766 15 3HZ LYS 1 HZ3 LYS 1 -7.260 -7.278 -6.483 16 OH TYR 2 OH TYR 2 -7.935 2.817 -8.948 17 H TYR 2 HN TYR 2 -11.496 -2.037 -10.980 18 HA TYR 2 HA TYR 2 -12.148 -1.732 -8.070 19 1HB TYR 2 HB1 TYR 2 -13.490 0.228 -8.789 20 2HB TYR 2 HB2 TYR 2 -13.106 -0.105 -10.475 21 HD1 TYR 2 HD2 TYR 2 -11.565 0.758 -7.196 22 HD2 TYR 2 HD1 TYR 2 -11.062 0.670 -11.418 23 HE1 TYR 2 HE2 TYR 2 -9.494 2.052 -6.976 24 HE2 TYR 2 HE1 TYR 2 -8.989 1.961 -11.198 25 HH TYR 2 HH TYR 2 -8.165 3.749 -8.921 26 H ILE 3 HN ILE 3 -12.860 -4.093 -8.678 27 HA ILE 3 HA ILE 3 -15.755 -3.964 -9.440 28 HB ILE 3 HB ILE 3 -13.890 -6.362 -9.725 29 1HG1 ILE 3 HG11 ILE 3 -13.086 -4.537 -11.164 30 2HG1 ILE 3 HG12 ILE 3 -14.706 -4.310 -11.814 31 1HG2 ILE 3 HG21 ILE 3 -16.441 -6.657 -9.627 32 2HG2 ILE 3 HG22 ILE 3 -15.706 -7.242 -11.114 33 3HG2 ILE 3 HG23 ILE 3 -16.542 -5.693 -11.095 34 1HD1 ILE 3 HD1 ILE 3 -13.449 -7.039 -11.939 35 2HD1 ILE 3 HD2 ILE 3 -12.969 -5.821 -13.116 36 3HD1 ILE 3 HD3 ILE 3 -14.653 -6.324 -13.005 37 H CYS 4 HN CYS 4 -16.752 -3.960 -7.445 38 HA CYS 4 HA CYS 4 -15.811 -5.120 -5.092 39 1HB CYS 4 HB1 CYS 4 -18.645 -4.852 -6.117 40 2HB CYS 4 HB2 CYS 4 -17.824 -3.794 -5.006 41 H GLU 5 HN GLU 5 -15.215 -7.085 -4.670 42 HA GLU 5 HA GLU 5 -15.706 -9.321 -6.336 43 1HB GLU 5 HB1 GLU 5 -14.960 -10.590 -4.153 44 2HB GLU 5 HB2 GLU 5 -14.726 -8.977 -3.489 45 1HG GLU 5 HG1 GLU 5 -13.249 -8.430 -5.433 46 2HG GLU 5 HG2 GLU 5 -13.429 -10.087 -6.003 47 H GLU 6 HN GLU 6 -17.704 -7.879 -3.957 48 HA GLU 6 HA GLU 6 -19.220 -10.346 -3.522 49 1HB GLU 6 HB1 GLU 6 -20.002 -7.593 -2.527 50 2HB GLU 6 HB2 GLU 6 -18.709 -8.491 -1.744 51 1HG GLU 6 HG1 GLU 6 -21.388 -9.783 -2.258 52 2HG GLU 6 HG2 GLU 6 -21.130 -8.786 -0.829 53 H CYS 7 HN CYS 7 -20.281 -7.035 -4.295 54 HA CYS 7 HA CYS 7 -22.643 -8.063 -5.649 55 1HB CYS 7 HB1 CYS 7 -23.228 -5.783 -5.975 56 2HB CYS 7 HB2 CYS 7 -21.571 -5.258 -5.958 57 H GLY 8 HN GLY 8 -19.686 -6.402 -6.692 58 1HA GLY 8 HA1 GLY 8 -20.141 -7.520 -9.427 59 2HA GLY 8 HA2 GLY 8 -18.560 -7.131 -8.758 60 H ILE 9 HN ILE 9 -20.138 -4.655 -7.616 61 HA ILE 9 HA ILE 9 -20.923 -3.024 -9.762 62 HB ILE 9 HB ILE 9 -21.066 -2.594 -7.192 63 1HG1 ILE 9 HG11 ILE 9 -20.517 -0.594 -9.354 64 2HG1 ILE 9 HG12 ILE 9 -20.638 -0.015 -7.696 65 1HG2 ILE 9 HG21 ILE 9 -18.439 -1.128 -7.717 66 2HG2 ILE 9 HG22 ILE 9 -18.453 -2.752 -7.045 67 3HG2 ILE 9 HG23 ILE 9 -19.215 -1.438 -6.175 68 1HD1 ILE 9 HD1 ILE 9 -22.817 -0.216 -9.179 69 2HD1 ILE 9 HD2 ILE 9 -22.868 -0.682 -7.482 70 3HD1 ILE 9 HD3 ILE 9 -22.723 -1.916 -8.730 71 NH1 ARG 10 NH1 ARG 10 -18.706 -3.747 -17.138 72 NH2 ARG 10 NH2 ARG 10 -17.814 -2.058 -18.392 73 H ARG 10 HN ARG 10 -19.854 -2.105 -11.384 74 HA ARG 10 HA ARG 10 -16.873 -2.176 -11.296 75 1HB ARG 10 HB1 ARG 10 -18.624 -1.637 -13.729 76 2HB ARG 10 HB2 ARG 10 -18.279 -3.276 -13.190 77 1HG ARG 10 HG1 ARG 10 -15.813 -2.700 -13.301 78 2HG ARG 10 HG2 ARG 10 -16.267 -1.177 -14.057 79 1HD ARG 10 HD1 ARG 10 -17.110 -3.890 -15.127 80 2HD ARG 10 HD2 ARG 10 -15.689 -3.018 -15.698 81 HE ARG 10 HE ARG 10 -17.729 -1.162 -15.943 82 1HH1 ARG 10 HH11 ARG 10 -18.846 -4.165 -16.241 83 2HH1 ARG 10 HH12 ARG 10 -19.089 -4.176 -17.956 84 1HH2 ARG 10 HH21 ARG 10 -17.285 -1.210 -18.434 85 2HH2 ARG 10 HH22 ARG 10 -18.183 -2.459 -19.230 86 H ABA 11 HN ABU 11 -16.306 -0.305 -10.292 87 HA ABA 11 HA ABU 11 -17.229 2.241 -11.584 88 1HB ABA 11 HB1 ABU 11 -16.900 3.325 -9.411 89 2HB ABA 11 HB2 ABU 11 -16.199 1.868 -8.736 90 1HG ABA 11 HG1 ABU 11 -19.070 2.264 -9.624 91 2HG ABA 11 HG2 ABU 11 -18.498 1.990 -7.981 92 3HG ABA 11 HG3 ABU 11 -18.401 0.701 -9.175 93 H LYS 12 HN LYS 12 -15.543 2.269 -13.078 94 HA LYS 12 HA LYS 12 -12.842 1.785 -12.686 95 1HB LYS 12 HB1 LYS 12 -12.474 3.479 -14.512 96 2HB LYS 12 HB2 LYS 12 -14.132 4.031 -14.304 97 1HG LYS 12 HG1 LYS 12 -14.756 1.514 -14.661 98 2HG LYS 12 HG2 LYS 12 -13.145 1.385 -15.357 99 1HD LYS 12 HD1 LYS 12 -13.737 3.357 -16.843 100 2HD LYS 12 HD2 LYS 12 -15.390 3.212 -16.258 101 1HE LYS 12 HE1 LYS 12 -15.387 1.920 -18.239 102 2HE LYS 12 HE2 LYS 12 -15.211 0.723 -16.962 103 1HZ LYS 12 HZ1 LYS 12 -12.919 0.542 -17.369 104 2HZ LYS 12 HZ2 LYS 12 -12.897 1.920 -18.363 105 3HZ LYS 12 HZ3 LYS 12 -13.661 0.502 -18.896 106 H LYS 13 HN LYS 13 -14.677 4.138 -11.098 107 HA LYS 13 HA LYS 13 -12.313 5.841 -10.589 108 1HB LYS 13 HB1 LYS 13 -14.176 7.210 -9.321 109 2HB LYS 13 HB2 LYS 13 -15.291 6.133 -10.150 110 1HG LYS 13 HG1 LYS 13 -15.046 8.057 -11.571 111 2HG LYS 13 HG2 LYS 13 -14.129 6.761 -12.327 112 1HD LYS 13 HD1 LYS 13 -12.227 7.972 -12.190 113 2HD LYS 13 HD2 LYS 13 -12.430 8.172 -10.456 114 1HE LYS 13 HE1 LYS 13 -13.759 9.862 -12.596 115 2HE LYS 13 HE2 LYS 13 -12.410 10.363 -11.585 116 1HZ LYS 13 HZ1 LYS 13 -14.015 9.725 -9.675 117 2HZ LYS 13 HZ2 LYS 13 -15.218 9.939 -10.854 118 3HZ LYS 13 HZ3 LYS 13 -14.180 11.223 -10.457 119 HA PRO 14 HA PRO 14 -11.775 3.668 -6.673 120 1HB PRO 14 HB1 PRO 14 -9.648 4.389 -6.160 121 2HB PRO 14 HB2 PRO 14 -10.335 5.852 -5.453 122 1HG PRO 14 HG1 PRO 14 -8.800 5.666 -7.864 123 2HG PRO 14 HG2 PRO 14 -9.617 7.099 -7.239 124 1HD PRO 14 HD1 PRO 14 -11.096 6.960 -8.970 125 2HD PRO 14 HD2 PRO 14 -10.358 5.438 -9.507 126 H SER 15 HN SER 15 -12.103 7.210 -6.233 127 HA SER 15 HA SER 15 -13.320 7.308 -3.770 128 1HB SER 15 HB1 SER 15 -12.924 9.336 -5.203 129 2HB SER 15 HB2 SER 15 -14.611 9.317 -4.648 130 HG SER 15 HG1 SER 15 -13.845 7.971 -7.000 131 H MET 16 HN MET 16 -14.882 6.406 -6.805 132 HA MET 16 HA MET 16 -17.516 6.162 -5.633 133 1HB MET 16 HB1 MET 16 -17.846 4.702 -7.788 134 2HB MET 16 HB2 MET 16 -16.201 5.184 -8.194 135 1HG MET 16 HG1 MET 16 -17.595 6.788 -9.234 136 2HG MET 16 HG2 MET 16 -16.925 7.576 -7.831 137 1HE MET 16 HE1 MET 16 -20.700 8.640 -9.025 138 2HE MET 16 HE2 MET 16 -19.677 7.574 -9.987 139 3HE MET 16 HE3 MET 16 -18.999 9.036 -9.272 140 H LEU 17 HN LEU 17 -15.092 3.717 -6.643 141 HA LEU 17 HA LEU 17 -16.551 1.521 -5.529 142 1HB LEU 17 HB1 LEU 17 -13.525 1.626 -5.731 143 2HB LEU 17 HB2 LEU 17 -14.496 1.559 -7.181 144 HG LEU 17 HG LEU 17 -13.740 -0.708 -6.434 145 1HD1 LEU 17 HD11 LEU 17 -15.608 -0.411 -4.074 146 2HD1 LEU 17 HD12 LEU 17 -13.890 -0.059 -3.952 147 3HD1 LEU 17 HD13 LEU 17 -14.432 -1.675 -4.385 148 1HD2 LEU 17 HD21 LEU 17 -16.101 -0.122 -7.526 149 2HD2 LEU 17 HD22 LEU 17 -16.712 -0.745 -6.003 150 3HD2 LEU 17 HD23 LEU 17 -15.712 -1.762 -7.031 151 H LYS 18 HN LYS 18 -13.624 3.159 -4.389 152 HA LYS 18 HA LYS 18 -13.183 2.101 -1.941 153 1HB LYS 18 HB1 LYS 18 -12.673 4.504 -1.148 154 2HB LYS 18 HB2 LYS 18 -13.328 5.058 -2.684 155 1HG LYS 18 HG1 LYS 18 -11.643 3.860 -3.926 156 2HG LYS 18 HG2 LYS 18 -11.098 3.016 -2.483 157 1HD LYS 18 HD1 LYS 18 -10.491 5.267 -1.499 158 2HD LYS 18 HD2 LYS 18 -10.848 5.980 -3.068 159 1HE LYS 18 HE1 LYS 18 -8.600 5.571 -3.384 160 2HE LYS 18 HE2 LYS 18 -9.221 4.004 -3.886 161 1HZ LYS 18 HZ1 LYS 18 -8.070 3.080 -2.268 162 2HZ LYS 18 HZ2 LYS 18 -8.954 3.959 -1.115 163 3HZ LYS 18 HZ3 LYS 18 -7.514 4.598 -1.748 164 H LYS 19 HN LYS 19 -15.727 4.491 -2.607 165 HA LYS 19 HA LYS 19 -16.703 4.462 0.093 166 1HB LYS 19 HB1 LYS 19 -18.801 5.464 -1.123 167 2HB LYS 19 HB2 LYS 19 -17.813 5.395 -2.578 168 1HG LYS 19 HG1 LYS 19 -16.039 6.700 -1.335 169 2HG LYS 19 HG2 LYS 19 -17.190 6.903 -0.019 170 1HD LYS 19 HD1 LYS 19 -18.667 7.621 -2.258 171 2HD LYS 19 HD2 LYS 19 -17.069 8.270 -2.612 172 1HE LYS 19 HE1 LYS 19 -18.210 9.978 -1.378 173 2HE LYS 19 HE2 LYS 19 -17.083 9.241 -0.248 174 1HZ LYS 19 HZ1 LYS 19 -19.270 9.534 0.725 175 2HZ LYS 19 HZ2 LYS 19 -18.869 7.887 0.620 176 3HZ LYS 19 HZ3 LYS 19 -19.961 8.568 -0.488 177 H HIS 20 HN HIS 20 -17.624 2.827 -2.895 178 HA HIS 20 HA HIS 20 -19.976 1.556 -1.969 179 1HB HIS 20 HB1 HIS 20 -17.871 0.581 -3.941 180 2HB HIS 20 HB2 HIS 20 -19.302 1.514 -4.358 181 HD1 HIS 20 HD1 HIS 20 -21.218 0.020 -4.948 182 HD2 HIS 20 HD2 HIS 20 -18.479 -1.996 -2.722 183 HE1 HIS 20 HE1 HIS 20 -22.036 -2.289 -4.840 184 H ILE 21 HN ILE 21 -16.624 0.318 -2.042 185 HA ILE 21 HA ILE 21 -17.232 -2.141 -0.771 186 HB ILE 21 HB ILE 21 -14.951 -1.152 -1.846 187 1HG1 ILE 21 HG11 ILE 21 -15.128 -3.204 0.393 188 2HG1 ILE 21 HG12 ILE 21 -13.716 -2.996 -0.634 189 1HG2 ILE 21 HG21 ILE 21 -13.325 -0.519 -0.177 190 2HG2 ILE 21 HG22 ILE 21 -14.358 -1.032 1.150 191 3HG2 ILE 21 HG23 ILE 21 -14.753 0.404 0.229 192 1HD1 ILE 21 HD1 ILE 21 -15.920 -3.168 -2.406 193 2HD1 ILE 21 HD2 ILE 21 -16.179 -4.420 -1.197 194 3HD1 ILE 21 HD3 ILE 21 -14.686 -4.390 -2.128 195 NH1 ARG 22 NH2 ARG 22 -12.340 4.635 4.777 196 NH2 ARG 22 NH1 ARG 22 -11.591 5.242 2.705 197 H ARG 22 HN ARG 22 -16.683 1.061 0.558 198 HA ARG 22 HA ARG 22 -16.572 0.080 3.312 199 1HB ARG 22 HB1 ARG 22 -17.029 2.649 3.721 200 2HB ARG 22 HB2 ARG 22 -16.807 2.804 1.982 201 1HG ARG 22 HG1 ARG 22 -14.609 1.539 2.273 202 2HG ARG 22 HG2 ARG 22 -14.819 1.741 4.007 203 1HD ARG 22 HD1 ARG 22 -14.814 4.165 3.783 204 2HD ARG 22 HD2 ARG 22 -14.811 4.042 2.025 205 HE ARG 22 HE ARG 22 -12.534 2.727 2.556 206 1HH1 ARG 22 HH21 ARG 22 -12.893 4.024 5.342 207 2HH1 ARG 22 HH22 ARG 22 -11.816 5.373 5.203 208 1HH2 ARG 22 HH11 ARG 22 -11.583 5.085 1.718 209 2HH2 ARG 22 HH12 ARG 22 -11.056 5.990 3.097 210 H THR 23 HN THR 23 -19.057 0.594 1.061 211 HA THR 23 HA THR 23 -21.074 1.346 3.010 212 HB THR 23 HB THR 23 -21.640 0.001 0.299 213 HG1 THR 23 HG1 THR 23 -21.315 2.107 -0.531 214 1HG2 THR 23 HG21 THR 23 -23.771 0.720 1.039 215 2HG2 THR 23 HG22 THR 23 -23.194 2.296 0.517 216 3HG2 THR 23 HG23 THR 23 -23.097 1.839 2.212 217 H HIS 24 HN HIS 24 -19.551 -1.584 2.099 218 HA HIS 24 HA HIS 24 -21.763 -3.343 2.841 219 1HB HIS 24 HB1 HIS 24 -19.704 -5.016 3.016 220 2HB HIS 24 HB2 HIS 24 -18.791 -3.692 2.304 221 HD1 HIS 24 HD1 HIS 24 -21.723 -5.857 1.465 222 HD2 HIS 24 HD2 HIS 24 -19.129 -3.335 -0.408 223 HE1 HIS 24 HE1 HIS 24 -22.132 -6.152 -0.955 224 H THR 25 HN THR 25 -20.096 -1.231 4.622 225 HA THR 25 HA THR 25 -19.627 -3.001 6.944 226 HB THR 25 HB THR 25 -18.701 -0.822 7.912 227 HG1 THR 25 HG1 THR 25 -18.671 0.756 6.006 228 1HG2 THR 25 HG21 THR 25 -17.263 -2.236 6.265 229 2HG2 THR 25 HG22 THR 25 -16.847 -0.526 6.332 230 3HG2 THR 25 HG23 THR 25 -17.825 -1.143 5.005 231 H ASP 26 HN ASP 26 -20.401 0.087 7.828 232 HA ASP 26 HA ASP 26 -23.281 -0.350 8.133 233 1HB ASP 26 HB1 ASP 26 -23.071 0.044 10.660 234 2HB ASP 26 HB2 ASP 26 -21.332 -0.175 10.485 235 H VAL 27 HN VAL 27 -21.429 1.429 6.832 236 HA VAL 27 HA VAL 27 -21.696 3.967 8.318 237 HB VAL 27 HB VAL 27 -19.598 3.492 7.106 238 1HG1 VAL 27 HG11 VAL 27 -21.314 3.386 4.609 239 2HG1 VAL 27 HG12 VAL 27 -20.596 1.992 5.394 240 3HG1 VAL 27 HG13 VAL 27 -19.565 3.215 4.672 241 1HG2 VAL 27 HG21 VAL 27 -21.097 5.840 6.862 242 2HG2 VAL 27 HG22 VAL 27 -20.551 5.511 5.220 243 3HG2 VAL 27 HG23 VAL 27 -19.377 5.670 6.523 244 NH1 ARG 28 NH2 ARG 28 -25.892 -2.039 5.316 245 NH2 ARG 28 NH1 ARG 28 -25.714 -1.351 7.488 246 H ARG 28 HN ARG 28 -24.142 2.941 7.743 247 HA ARG 28 HA ARG 28 -25.166 4.640 5.516 248 1HB ARG 28 HB1 ARG 28 -27.181 3.025 5.755 249 2HB ARG 28 HB2 ARG 28 -26.111 2.036 6.739 250 1HG ARG 28 HG1 ARG 28 -24.464 2.358 4.688 251 2HG ARG 28 HG2 ARG 28 -25.957 2.663 3.813 252 1HD ARG 28 HD1 ARG 28 -25.401 0.266 3.718 253 2HD ARG 28 HD2 ARG 28 -26.871 0.506 4.662 254 HE ARG 28 HE ARG 28 -24.416 0.469 6.265 255 1HH1 ARG 28 HH21 ARG 28 -25.788 -1.836 4.342 256 2HH1 ARG 28 HH22 ARG 28 -26.225 -2.935 5.607 257 1HH2 ARG 28 HH11 ARG 28 -25.476 -0.632 8.141 258 2HH2 ARG 28 HH12 ARG 28 -26.045 -2.236 7.815 259 HA PRO 29 HA PRO 29 -26.685 6.519 9.478 260 1HB PRO 29 HB1 PRO 29 -25.898 8.672 9.325 261 2HB PRO 29 HB2 PRO 29 -26.991 9.008 7.981 262 1HG PRO 29 HG1 PRO 29 -24.118 8.467 7.888 263 2HG PRO 29 HG2 PRO 29 -25.176 8.989 6.576 264 1HD PRO 29 HD1 PRO 29 -25.258 6.878 5.730 265 2HD PRO 29 HD2 PRO 29 -24.042 6.395 6.925 266 OH TYR 30 OH TYR 30 -27.964 12.207 3.534 267 H TYR 30 HN TYR 30 -27.920 6.941 6.182 268 HA TYR 30 HA TYR 30 -30.549 7.797 6.981 269 1HB TYR 30 HB1 TYR 30 -31.165 7.089 4.623 270 2HB TYR 30 HB2 TYR 30 -29.571 6.362 4.461 271 HD1 TYR 30 HD1 TYR 30 -31.230 9.608 5.285 272 HD2 TYR 30 HD2 TYR 30 -27.758 7.690 3.750 273 HE1 TYR 30 HE1 TYR 30 -30.290 11.791 4.683 274 HE2 TYR 30 HE2 TYR 30 -26.820 9.872 3.146 275 HH TYR 30 HH TYR 30 -28.223 12.838 4.209 276 H HIS 31 HN HIS 31 -31.840 6.613 8.240 277 HA HIS 31 HA HIS 31 -32.074 3.672 7.674 278 1HB HIS 31 HB1 HIS 31 -32.594 3.420 10.113 279 2HB HIS 31 HB2 HIS 31 -32.366 5.151 10.334 280 HD1 HIS 31 HD1 HIS 31 -30.339 2.300 9.086 281 HD2 HIS 31 HD2 HIS 31 -29.812 5.841 10.989 282 HE1 HIS 31 HE1 HIS 31 -27.970 2.378 9.611 283 H CYS 32 HN CYS 32 -34.111 2.882 7.336 284 HA CYS 32 HA CYS 32 -36.260 4.718 6.879 285 1HB CYS 32 HB1 CYS 32 -36.101 1.708 7.245 286 2HB CYS 32 HB2 CYS 32 -36.400 2.600 5.775 287 H THR 33 HN THR 33 -38.187 5.052 8.066 288 HA THR 33 HA THR 33 -37.742 5.062 10.960 289 HB THR 33 HB THR 33 -40.320 5.824 9.473 290 HG1 THR 33 HG1 THR 33 -37.984 7.345 10.039 291 1HG2 THR 33 HG21 THR 33 -39.129 7.458 11.678 292 2HG2 THR 33 HG22 THR 33 -39.688 5.870 12.193 293 3HG2 THR 33 HG23 THR 33 -40.813 6.999 11.442 294 OH TYR 34 OH TYR 34 -44.503 5.572 9.540 295 H TYR 34 HN TYR 34 -38.378 2.597 9.146 296 HA TYR 34 HA TYR 34 -40.142 1.327 11.165 297 1HB TYR 34 HB1 TYR 34 -41.476 0.246 9.347 298 2HB TYR 34 HB2 TYR 34 -40.540 1.114 8.138 299 HD1 TYR 34 HD2 TYR 34 -40.707 3.627 8.022 300 HD2 TYR 34 HD1 TYR 34 -43.264 1.332 10.530 301 HE1 TYR 34 HE2 TYR 34 -42.255 5.522 8.181 302 HE2 TYR 34 HE1 TYR 34 -44.810 3.229 10.686 303 HH TYR 34 HH TYR 34 -44.486 5.888 10.446 304 H CYS 35 HN CYS 35 -38.745 0.429 8.024 305 HA CYS 35 HA CYS 35 -37.974 -2.191 8.882 306 1HB CYS 35 HB1 CYS 35 -36.739 -2.291 6.798 307 2HB CYS 35 HB2 CYS 35 -36.631 -0.559 6.704 308 H ASN 36 HN ASN 36 -35.713 -2.966 8.853 309 HA ASN 36 HA ASN 36 -34.060 -1.159 10.533 310 1HB ASN 36 HB1 ASN 36 -33.464 -4.075 9.879 311 2HB ASN 36 HB2 ASN 36 -34.659 -3.661 11.104 312 1HD2 ASN 36 HD21 ASN 36 -33.731 -3.735 13.137 313 2HD2 ASN 36 HD22 ASN 36 -32.156 -3.230 13.519 314 H PHE 37 HN PHE 37 -34.482 -1.443 7.445 315 HA PHE 37 HA PHE 37 -31.772 -1.994 6.500 316 1HB PHE 37 HB1 PHE 37 -33.906 -0.568 4.891 317 2HB PHE 37 HB2 PHE 37 -34.098 -2.279 5.261 318 HD1 PHE 37 HD2 PHE 37 -32.062 -3.823 4.697 319 HD2 PHE 37 HD1 PHE 37 -32.568 0.079 3.068 320 HE1 PHE 37 HE2 PHE 37 -30.518 -4.380 2.869 321 HE2 PHE 37 HE1 PHE 37 -31.026 -0.486 1.242 322 HZ PHE 37 HZ PHE 37 -30.000 -2.714 1.143 323 H SER 38 HN SER 38 -30.378 -0.480 5.534 324 HA SER 38 HA SER 38 -30.995 2.369 6.081 325 1HB SER 38 HB1 SER 38 -28.266 1.197 6.701 326 2HB SER 38 HB2 SER 38 -29.545 1.193 7.918 327 HG SER 38 HG1 SER 38 -28.963 3.491 6.399 328 H PHE 39 HN PHE 39 -29.938 3.843 4.775 329 HA PHE 39 HA PHE 39 -28.556 2.653 2.408 330 1HB PHE 39 HB1 PHE 39 -29.705 4.230 1.050 331 2HB PHE 39 HB2 PHE 39 -30.013 5.307 2.410 332 HD1 PHE 39 HD2 PHE 39 -31.609 4.479 4.256 333 HD2 PHE 39 HD1 PHE 39 -31.315 2.574 0.459 334 HE1 PHE 39 HE2 PHE 39 -33.775 3.386 4.632 335 HE2 PHE 39 HE1 PHE 39 -33.492 1.503 0.830 336 HZ PHE 39 HZ PHE 39 -34.720 1.903 2.919 337 H LYS 40 HN LYS 40 -26.971 3.985 1.379 338 HA LYS 40 HA LYS 40 -25.360 5.467 3.345 339 1HB LYS 40 HB1 LYS 40 -24.911 4.559 0.468 340 2HB LYS 40 HB2 LYS 40 -24.249 3.828 1.911 341 1HG LYS 40 HG1 LYS 40 -23.562 6.591 0.845 342 2HG LYS 40 HG2 LYS 40 -22.526 5.177 0.806 343 1HD LYS 40 HD1 LYS 40 -22.809 5.110 3.364 344 2HD LYS 40 HD2 LYS 40 -23.421 6.752 3.218 345 1HE LYS 40 HE1 LYS 40 -21.136 7.140 3.522 346 2HE LYS 40 HE2 LYS 40 -21.255 7.125 1.766 347 1HZ LYS 40 HZ1 LYS 40 -19.423 5.768 2.579 348 2HZ LYS 40 HZ2 LYS 40 -20.572 4.831 1.750 349 3HZ LYS 40 HZ3 LYS 40 -20.514 4.797 3.447 350 H THR 41 HN THR 41 -27.568 6.143 0.831 351 HA THR 41 HA THR 41 -26.753 9.016 0.946 352 HB THR 41 HB THR 41 -26.967 9.210 -1.452 353 HG1 THR 41 HG1 THR 41 -28.961 8.084 -1.466 354 1HG2 THR 41 HG21 THR 41 -25.043 7.565 -0.688 355 2HG2 THR 41 HG22 THR 41 -25.570 7.410 -2.361 356 3HG2 THR 41 HG23 THR 41 -26.142 6.267 -1.149 357 H LYS 42 HN LYS 42 -28.402 10.518 0.520 358 HA LYS 42 HA LYS 42 -30.910 9.783 1.704 359 1HB LYS 42 HB1 LYS 42 -30.079 12.313 0.207 360 2HB LYS 42 HB2 LYS 42 -29.898 12.059 1.938 361 1HG LYS 42 HG1 LYS 42 -32.393 11.722 2.081 362 2HG LYS 42 HG2 LYS 42 -32.502 12.174 0.384 363 1HD LYS 42 HD1 LYS 42 -30.901 14.153 1.650 364 2HD LYS 42 HD2 LYS 42 -32.301 13.896 2.685 365 1HE LYS 42 HE1 LYS 42 -32.388 14.460 -0.298 366 2HE LYS 42 HE2 LYS 42 -32.777 15.614 0.972 367 1HZ LYS 42 HZ1 LYS 42 -34.575 14.176 1.686 368 2HZ LYS 42 HZ2 LYS 42 -34.198 13.060 0.463 369 3HZ LYS 42 HZ3 LYS 42 -34.761 14.609 0.054 370 H GLY 43 HN GLY 43 -29.678 9.817 -1.489 371 1HA GLY 43 HA1 GLY 43 -30.700 9.352 -3.554 372 2HA GLY 43 HA2 GLY 43 -32.099 10.241 -2.954 373 H ASN 44 HN ASN 44 -30.459 7.141 -2.330 374 HA ASN 44 HA ASN 44 -32.581 5.490 -3.118 375 1HB ASN 44 HB1 ASN 44 -31.494 3.814 -1.498 376 2HB ASN 44 HB2 ASN 44 -30.410 5.112 -1.008 377 1HD2 ASN 44 HD21 ASN 44 -29.533 6.332 -3.192 378 2HD2 ASN 44 HD22 ASN 44 -28.896 5.264 -4.346 379 H LEU 45 HN LEU 45 -31.966 7.047 -0.018 380 HA LEU 45 HA LEU 45 -33.934 5.700 1.507 381 1HB LEU 45 HB1 LEU 45 -32.926 8.594 1.631 382 2HB LEU 45 HB2 LEU 45 -32.277 7.235 2.523 383 HG LEU 45 HG LEU 45 -33.631 8.387 4.104 384 1HD1 LEU 45 HD11 LEU 45 -35.478 9.634 3.632 385 2HD1 LEU 45 HD12 LEU 45 -36.209 8.375 2.650 386 3HD1 LEU 45 HD13 LEU 45 -35.004 9.444 1.953 387 1HD2 LEU 45 HD21 LEU 45 -35.524 6.254 3.070 388 2HD2 LEU 45 HD22 LEU 45 -35.269 6.767 4.732 389 3HD2 LEU 45 HD23 LEU 45 -34.014 5.871 3.886 390 H THR 46 HN THR 46 -34.166 8.699 -0.382 391 HA THR 46 HA THR 46 -36.914 9.206 0.106 392 HB THR 46 HB THR 46 -35.387 9.776 -2.506 393 HG1 THR 46 HG1 THR 46 -34.659 10.323 -0.125 394 1HG2 THR 46 HG21 THR 46 -36.891 11.666 -2.678 395 2HG2 THR 46 HG22 THR 46 -37.368 11.539 -0.988 396 3HG2 THR 46 HG23 THR 46 -37.958 10.365 -2.160 397 H LYS 47 HN LYS 47 -35.320 7.084 -2.199 398 HA LYS 47 HA LYS 47 -37.655 6.531 -3.776 399 1HB LYS 47 HB1 LYS 47 -35.208 4.776 -3.229 400 2HB LYS 47 HB2 LYS 47 -35.317 5.988 -4.497 401 1HG LYS 47 HG1 LYS 47 -36.080 4.284 -5.806 402 2HG LYS 47 HG2 LYS 47 -37.600 4.512 -4.953 403 1HD LYS 47 HD1 LYS 47 -37.224 2.225 -4.635 404 2HD LYS 47 HD2 LYS 47 -36.523 2.892 -3.167 405 1HE LYS 47 HE1 LYS 47 -34.919 1.334 -4.095 406 2HE LYS 47 HE2 LYS 47 -34.293 2.953 -4.374 407 1HZ LYS 47 HZ1 LYS 47 -35.414 1.040 -6.285 408 2HZ LYS 47 HZ2 LYS 47 -34.045 2.036 -6.424 409 3HZ LYS 47 HZ3 LYS 47 -35.598 2.700 -6.597 410 H HIS 48 HN HIS 48 -36.231 4.910 -0.952 411 HA HIS 48 HA HIS 48 -38.056 2.723 -0.884 412 1HB HIS 48 HB1 HIS 48 -36.659 4.181 1.420 413 2HB HIS 48 HB2 HIS 48 -36.005 2.811 0.527 414 HD1 HIS 48 HD1 HIS 48 -38.187 0.870 0.552 415 HD2 HIS 48 HD2 HIS 48 -37.556 3.219 3.836 416 HE1 HIS 48 HE1 HIS 48 -39.228 -0.325 2.417 417 H MET 49 HN MET 49 -38.287 6.014 0.309 418 HA MET 49 HA MET 49 -40.782 5.519 1.740 419 1HB MET 49 HB1 MET 49 -40.790 8.153 1.645 420 2HB MET 49 HB2 MET 49 -39.181 7.982 0.952 421 1HG MET 49 HG1 MET 49 -39.034 8.254 3.371 422 2HG MET 49 HG2 MET 49 -38.462 6.679 2.889 423 1HE MET 49 HE1 MET 49 -39.890 8.363 5.660 424 2HE MET 49 HE2 MET 49 -38.617 7.142 5.666 425 3HE MET 49 HE3 MET 49 -40.108 6.867 6.567 426 H LYS 50 HN LYS 50 -39.830 6.745 -1.414 427 HA LYS 50 HA LYS 50 -42.165 7.905 -2.351 428 1HB LYS 50 HB1 LYS 50 -40.675 5.823 -3.998 429 2HB LYS 50 HB2 LYS 50 -39.920 7.360 -3.592 430 1HG LYS 50 HG1 LYS 50 -42.695 7.422 -4.721 431 2HG LYS 50 HG2 LYS 50 -41.372 7.063 -5.824 432 1HD LYS 50 HD1 LYS 50 -41.054 9.373 -3.937 433 2HD LYS 50 HD2 LYS 50 -42.100 9.580 -5.337 434 1HE LYS 50 HE1 LYS 50 -40.273 8.887 -6.833 435 2HE LYS 50 HE2 LYS 50 -39.224 8.610 -5.448 436 1HZ LYS 50 HZ1 LYS 50 -40.109 11.122 -6.638 437 2HZ LYS 50 HZ2 LYS 50 -38.599 10.698 -5.984 438 3HZ LYS 50 HZ3 LYS 50 -39.891 11.090 -4.954 439 H SER 51 HN SER 51 -41.411 4.429 -2.615 440 HA SER 51 HA SER 51 -43.907 3.597 -3.608 441 1HB SER 51 HB1 SER 51 -42.447 1.924 -1.533 442 2HB SER 51 HB2 SER 51 -41.676 2.237 -3.100 443 HG SER 51 HG1 SER 51 -42.956 0.682 -3.742 444 H LYS 52 HN LYS 52 -45.779 2.798 -2.617 445 HA LYS 52 HA LYS 52 -46.510 4.210 -0.182 446 1HB LYS 52 HB1 LYS 52 -48.680 2.860 -0.509 447 2HB LYS 52 HB2 LYS 52 -47.925 2.144 -1.929 448 1HG LYS 52 HG1 LYS 52 -47.689 4.314 -2.982 449 2HG LYS 52 HG2 LYS 52 -48.203 5.138 -1.514 450 1HD LYS 52 HD1 LYS 52 -50.409 3.886 -1.710 451 2HD LYS 52 HD2 LYS 52 -49.881 3.354 -3.301 452 1HE LYS 52 HE1 LYS 52 -51.225 5.361 -3.579 453 2HE LYS 52 HE2 LYS 52 -49.551 5.768 -3.931 454 1HZ LYS 52 HZ1 LYS 52 -51.232 6.583 -1.702 455 2HZ LYS 52 HZ2 LYS 52 -50.016 7.440 -2.521 456 3HZ LYS 52 HZ3 LYS 52 -49.599 6.284 -1.348 457 H ALA 53 HN ALA 53 -44.352 2.460 0.268 458 HA ALA 53 HA ALA 53 -45.107 -0.061 1.353 459 1HB ALA 53 HB1 ALA 53 -42.845 1.860 2.089 460 2HB ALA 53 HB2 ALA 53 -42.746 0.502 0.973 461 3HB ALA 53 HB3 ALA 53 -42.954 0.211 2.697 462 H HIS 54 HN HIS 54 -43.773 2.265 3.598 463 HA HIS 54 HA HIS 54 -46.304 2.304 5.128 464 1HB HIS 54 HB1 HIS 54 -45.382 0.466 6.245 465 2HB HIS 54 HB2 HIS 54 -44.668 1.769 7.187 466 HD1 HIS 54 HD1 HIS 54 -43.723 -1.039 5.199 467 HD2 HIS 54 HD2 HIS 54 -41.902 2.472 6.242 468 HE1 HIS 54 HE1 HIS 54 -41.327 -1.410 4.846 469 H SER 55 HN SER 55 -46.280 4.532 4.614 470 HA SER 55 HA SER 55 -44.686 6.088 6.543 471 1HB SER 55 HB1 SER 55 -43.271 5.985 4.440 472 2HB SER 55 HB2 SER 55 -43.844 7.638 4.739 473 HG SER 55 HG1 SER 55 -45.742 6.248 3.472 474 H LYS 56 HN LYS 56 -47.296 5.744 6.797 475 HA LYS 56 HA LYS 56 -49.069 7.409 5.376 476 1HB LYS 56 HB1 LYS 56 -50.512 7.231 7.336 477 2HB LYS 56 HB2 LYS 56 -49.136 6.939 8.394 478 1HG LYS 56 HG1 LYS 56 -49.240 5.041 6.166 479 2HG LYS 56 HG2 LYS 56 -50.692 4.977 7.158 480 1HD LYS 56 HD1 LYS 56 -47.902 4.947 8.347 481 2HD LYS 56 HD2 LYS 56 -48.761 3.473 7.915 482 1HE LYS 56 HE1 LYS 56 -50.441 5.301 9.460 483 2HE LYS 56 HE2 LYS 56 -48.983 4.853 10.334 484 1HZ LYS 56 HZ1 LYS 56 -51.107 3.374 10.428 485 2HZ LYS 56 HZ2 LYS 56 -49.563 2.668 10.387 486 3HZ LYS 56 HZ3 LYS 56 -50.499 2.751 8.971 487 H LYS 57 HN LYS 57 -46.622 8.231 7.684 488 HA LYS 57 HA LYS 57 -46.786 11.010 7.050 489 1HB LYS 57 HB1 LYS 57 -47.641 10.309 9.890 490 2HB LYS 57 HB2 LYS 57 -48.809 10.641 8.619 491 1HG LYS 57 HG1 LYS 57 -48.067 12.882 8.367 492 2HG LYS 57 HG2 LYS 57 -46.564 12.570 9.226 493 1HD LYS 57 HD1 LYS 57 -48.184 13.802 10.648 494 2HD LYS 57 HD2 LYS 57 -47.812 12.217 11.318 495 1HE LYS 57 HE1 LYS 57 -49.889 11.322 10.691 496 2HE LYS 57 HE2 LYS 57 -50.147 12.537 9.446 497 1HZ LYS 57 HZ1 LYS 57 -49.913 13.861 11.884 498 2HZ LYS 57 HZ2 LYS 57 -50.991 12.570 12.115 499 3HZ LYS 57 LYS 57 -51.287 13.716 10.897 Start of MODEL 14 Raw file had 499 H/Q atoms Start of MODEL 14 1 1H LYS 1 HT1 LYS 1 -10.224 -4.726 -11.840 2 2H LYS 1 HT2 LYS 1 -9.012 -3.593 -12.206 3 3H LYS 1 HT3 LYS 1 -10.545 -3.063 -11.700 4 HA LYS 1 HA LYS 1 -9.185 -4.866 -9.888 5 1HB LYS 1 HB1 LYS 1 -7.961 -2.708 -8.981 6 2HB LYS 1 HB2 LYS 1 -8.172 -2.091 -10.615 7 1HG LYS 1 HG1 LYS 1 -6.941 -3.977 -11.545 8 2HG LYS 1 HG2 LYS 1 -6.863 -4.755 -9.970 9 1HD LYS 1 HD1 LYS 1 -4.732 -3.615 -10.471 10 2HD LYS 1 HD2 LYS 1 -5.527 -2.865 -9.092 11 1HE LYS 1 HE1 LYS 1 -4.574 -1.335 -11.000 12 2HE LYS 1 HE2 LYS 1 -6.147 -0.962 -10.316 13 1HZ LYS 1 HZ1 LYS 1 -5.861 -1.050 -12.854 14 2HZ LYS 1 HZ2 LYS 1 -7.239 -1.755 -12.158 15 3HZ LYS 1 HZ3 LYS 1 -5.944 -2.734 -12.654 16 OH TYR 2 OH TYR 2 -7.661 2.678 -8.575 17 H TYR 2 HN TYR 2 -11.052 -2.023 -10.703 18 HA TYR 2 HA TYR 2 -11.981 -1.748 -7.906 19 1HB TYR 2 HB1 TYR 2 -13.259 0.199 -8.833 20 2HB TYR 2 HB2 TYR 2 -12.721 -0.230 -10.457 21 HD1 TYR 2 HD2 TYR 2 -11.521 0.826 -7.103 22 HD2 TYR 2 HD1 TYR 2 -10.535 0.387 -11.217 23 HE1 TYR 2 HE2 TYR 2 -9.460 2.107 -6.747 24 HE2 TYR 2 HE1 TYR 2 -8.468 1.658 -10.857 25 HH TYR 2 HH TYR 2 -6.919 2.104 -8.783 26 H ILE 3 HN ILE 3 -12.815 -4.080 -8.295 27 HA ILE 3 HA ILE 3 -15.663 -3.871 -9.198 28 HB ILE 3 HB ILE 3 -13.677 -6.174 -9.500 29 1HG1 ILE 3 HG11 ILE 3 -14.225 -4.021 -11.162 30 2HG1 ILE 3 HG12 ILE 3 -15.258 -5.286 -11.816 31 1HG2 ILE 3 HG21 ILE 3 -15.800 -7.189 -8.917 32 2HG2 ILE 3 HG22 ILE 3 -15.749 -7.247 -10.673 33 3HG2 ILE 3 HG23 ILE 3 -16.708 -6.013 -9.863 34 1HD1 ILE 3 HD1 ILE 3 -13.235 -6.827 -11.749 35 2HD1 ILE 3 HD2 ILE 3 -12.261 -5.412 -11.363 36 3HD1 ILE 3 HD3 ILE 3 -13.113 -5.500 -12.903 37 H CYS 4 HN CYS 4 -16.877 -3.930 -7.382 38 HA CYS 4 HA CYS 4 -16.063 -4.851 -4.871 39 1HB CYS 4 HB1 CYS 4 -18.776 -4.684 -6.170 40 2HB CYS 4 HB2 CYS 4 -18.097 -3.623 -4.967 41 H GLU 5 HN GLU 5 -15.730 -6.760 -4.017 42 HA GLU 5 HA GLU 5 -15.883 -9.141 -5.593 43 1HB GLU 5 HB1 GLU 5 -15.220 -10.264 -3.439 44 2HB GLU 5 HB2 GLU 5 -15.495 -8.746 -2.593 45 1HG GLU 5 HG1 GLU 5 -13.718 -7.654 -3.775 46 2HG GLU 5 HG2 GLU 5 -13.599 -8.965 -4.946 47 H GLU 6 HN GLU 6 -18.221 -7.533 -3.706 48 HA GLU 6 HA GLU 6 -19.775 -10.007 -3.321 49 1HB GLU 6 HB1 GLU 6 -20.460 -7.196 -2.387 50 2HB GLU 6 HB2 GLU 6 -19.467 -8.298 -1.443 51 1HG GLU 6 HG1 GLU 6 -21.332 -9.969 -1.504 52 2HG GLU 6 HG2 GLU 6 -22.325 -8.786 -2.352 53 H CYS 7 HN CYS 7 -20.819 -6.702 -4.085 54 HA CYS 7 HA CYS 7 -23.025 -7.680 -5.663 55 1HB CYS 7 HB1 CYS 7 -23.583 -5.426 -5.980 56 2HB CYS 7 HB2 CYS 7 -21.925 -4.909 -6.003 57 H GLY 8 HN GLY 8 -19.786 -6.518 -6.460 58 1HA GLY 8 HA1 GLY 8 -20.199 -7.563 -9.202 59 2HA GLY 8 HA2 GLY 8 -18.647 -7.143 -8.491 60 H ILE 9 HN ILE 9 -20.309 -4.615 -7.556 61 HA ILE 9 HA ILE 9 -21.001 -3.082 -9.785 62 HB ILE 9 HB ILE 9 -21.113 -2.541 -7.211 63 1HG1 ILE 9 HG11 ILE 9 -20.694 -0.668 -9.508 64 2HG1 ILE 9 HG12 ILE 9 -20.762 0.015 -7.887 65 1HG2 ILE 9 HG21 ILE 9 -19.268 -1.284 -6.318 66 2HG2 ILE 9 HG22 ILE 9 -18.550 -1.032 -7.896 67 3HG2 ILE 9 HG23 ILE 9 -18.490 -2.616 -7.141 68 1HD1 ILE 9 HD1 ILE 9 -22.944 -0.927 -7.490 69 2HD1 ILE 9 HD2 ILE 9 -22.850 -1.914 -8.945 70 3HD1 ILE 9 HD3 ILE 9 -23.010 -0.166 -9.077 71 NH1 ARG 10 NH1 ARG 10 -17.378 -3.858 -17.911 72 NH2 ARG 10 NH2 ARG 10 -19.277 -4.422 -16.773 73 H ARG 10 HN ARG 10 -19.913 -1.968 -11.320 74 HA ARG 10 HA ARG 10 -16.935 -2.212 -11.264 75 1HB ARG 10 HB1 ARG 10 -18.736 -1.701 -13.673 76 2HB ARG 10 HB2 ARG 10 -18.302 -3.319 -13.140 77 1HG ARG 10 HG1 ARG 10 -15.832 -2.411 -13.265 78 2HG ARG 10 HG2 ARG 10 -16.532 -1.169 -14.295 79 1HD ARG 10 HD1 ARG 10 -16.706 -4.171 -14.722 80 2HD ARG 10 HD2 ARG 10 -15.767 -3.031 -15.686 81 HE ARG 10 HE ARG 10 -18.403 -2.090 -15.789 82 1HH1 ARG 10 HH11 ARG 10 -16.542 -3.312 -17.964 83 2HH1 ARG 10 HH12 ARG 10 -17.605 -4.498 -18.646 84 1HH2 ARG 10 HH21 ARG 10 -19.863 -4.301 -15.972 85 2HH2 ARG 10 HH22 ARG 10 -19.535 -5.073 -17.488 86 H ABA 11 HN ABU 11 -16.045 -0.387 -10.586 87 HA ABA 11 HA ABU 11 -16.989 2.171 -11.818 88 1HB ABA 11 HB1 ABU 11 -16.599 3.295 -9.665 89 2HB ABA 11 HB2 ABU 11 -15.975 1.817 -8.962 90 1HG ABA 11 HG1 ABU 11 -18.820 2.321 -9.881 91 2HG ABA 11 HG2 ABU 11 -18.275 2.085 -8.224 92 3HG ABA 11 HG3 ABU 11 -18.223 0.749 -9.368 93 H LYS 12 HN LYS 12 -15.357 2.398 -13.261 94 HA LYS 12 HA LYS 12 -12.654 1.708 -12.870 95 1HB LYS 12 HB1 LYS 12 -12.246 3.362 -14.757 96 2HB LYS 12 HB2 LYS 12 -13.919 3.881 -14.599 97 1HG LYS 12 HG1 LYS 12 -14.518 2.186 -15.967 98 2HG LYS 12 HG2 LYS 12 -14.010 1.058 -14.716 99 1HD LYS 12 HD1 LYS 12 -11.640 1.286 -15.628 100 2HD LYS 12 HD2 LYS 12 -12.333 2.161 -16.989 101 1HE LYS 12 HE1 LYS 12 -12.610 0.113 -17.936 102 2HE LYS 12 HE2 LYS 12 -13.964 -0.066 -16.827 103 1HZ LYS 12 HZ1 LYS 12 -11.245 -0.736 -15.935 104 2HZ LYS 12 HZ2 LYS 12 -12.118 -1.842 -16.883 105 3HZ LYS 12 HZ3 LYS 12 -12.737 -1.335 -15.385 106 H LYS 13 HN LYS 13 -14.307 3.901 -11.078 107 HA LYS 13 HA LYS 13 -11.905 5.620 -10.691 108 1HB LYS 13 HB1 LYS 13 -13.624 7.227 -9.645 109 2HB LYS 13 HB2 LYS 13 -14.866 6.141 -10.257 110 1HG LYS 13 HG1 LYS 13 -14.114 6.473 -12.544 111 2HG LYS 13 HG2 LYS 13 -12.729 7.412 -11.995 112 1HD LYS 13 HD1 LYS 13 -14.122 9.202 -11.230 113 2HD LYS 13 HD2 LYS 13 -15.577 8.219 -11.354 114 1HE LYS 13 HE1 LYS 13 -15.454 9.753 -13.263 115 2HE LYS 13 HE2 LYS 13 -15.255 8.098 -13.822 116 1HZ LYS 13 HZ1 LYS 13 -12.778 9.340 -13.103 117 2HZ LYS 13 HZ2 LYS 13 -13.585 10.164 -14.349 118 3HZ LYS 13 HZ3 LYS 13 -13.208 8.517 -14.525 119 HA PRO 14 HA PRO 14 -11.607 3.747 -6.630 120 1HB PRO 14 HB1 PRO 14 -9.553 4.612 -6.031 121 2HB PRO 14 HB2 PRO 14 -10.380 6.029 -5.384 122 1HG PRO 14 HG1 PRO 14 -8.674 5.968 -7.662 123 2HG PRO 14 HG2 PRO 14 -9.695 7.317 -7.158 124 1HD PRO 14 HD1 PRO 14 -10.952 6.972 -9.041 125 2HD PRO 14 HD2 PRO 14 -10.060 5.480 -9.399 126 H SER 15 HN SER 15 -11.969 7.265 -6.154 127 HA SER 15 HA SER 15 -13.419 7.414 -3.866 128 1HB SER 15 HB1 SER 15 -12.897 9.345 -5.492 129 2HB SER 15 HB2 SER 15 -14.522 9.437 -4.784 130 HG SER 15 HG1 SER 15 -14.345 9.562 -7.173 131 H MET 16 HN MET 16 -14.757 6.438 -6.985 132 HA MET 16 HA MET 16 -17.456 6.184 -5.979 133 1HB MET 16 HB1 MET 16 -17.651 4.711 -8.133 134 2HB MET 16 HB2 MET 16 -15.981 5.178 -8.438 135 1HG MET 16 HG1 MET 16 -17.458 6.720 -9.580 136 2HG MET 16 HG2 MET 16 -16.616 7.548 -8.298 137 1HE MET 16 HE1 MET 16 -19.703 5.913 -9.564 138 2HE MET 16 HE2 MET 16 -19.826 7.584 -10.114 139 3HE MET 16 HE3 MET 16 -21.018 6.935 -8.986 140 H LEU 17 HN LEU 17 -14.908 3.778 -6.748 141 HA LEU 17 HA LEU 17 -16.460 1.600 -5.672 142 1HB LEU 17 HB1 LEU 17 -13.429 1.632 -5.831 143 2HB LEU 17 HB2 LEU 17 -14.378 1.559 -7.297 144 HG LEU 17 HG LEU 17 -13.701 -0.712 -6.499 145 1HD1 LEU 17 HD11 LEU 17 -14.425 -1.619 -4.436 146 2HD1 LEU 17 HD12 LEU 17 -15.580 -0.328 -4.159 147 3HD1 LEU 17 HD13 LEU 17 -13.858 -0.006 -4.028 148 1HD2 LEU 17 HD21 LEU 17 -16.676 -0.666 -6.086 149 2HD2 LEU 17 HD22 LEU 17 -15.698 -1.720 -7.093 150 3HD2 LEU 17 HD23 LEU 17 -16.044 -0.080 -7.613 151 H LYS 18 HN LYS 18 -13.500 3.197 -4.487 152 HA LYS 18 HA LYS 18 -13.177 2.131 -2.008 153 1HB LYS 18 HB1 LYS 18 -12.543 4.486 -1.217 154 2HB LYS 18 HB2 LYS 18 -13.179 5.103 -2.735 155 1HG LYS 18 HG1 LYS 18 -11.351 4.415 -3.906 156 2HG LYS 18 HG2 LYS 18 -11.294 2.864 -3.091 157 1HD LYS 18 HD1 LYS 18 -9.291 4.194 -2.549 158 2HD LYS 18 HD2 LYS 18 -10.269 3.947 -1.108 159 1HE LYS 18 HE1 LYS 18 -10.925 6.165 -1.007 160 2HE LYS 18 HE2 LYS 18 -10.845 6.379 -2.750 161 1HZ LYS 18 HZ1 LYS 18 -8.336 6.093 -2.407 162 2HZ LYS 18 HZ2 LYS 18 -8.662 6.447 -0.778 163 3HZ LYS 18 HZ3 LYS 18 -9.052 7.574 -1.986 164 H LYS 19 HN LYS 19 -15.599 4.600 -2.797 165 HA LYS 19 HA LYS 19 -16.667 4.680 -0.137 166 1HB LYS 19 HB1 LYS 19 -18.718 5.642 -1.515 167 2HB LYS 19 HB2 LYS 19 -17.611 5.568 -2.879 168 1HG LYS 19 HG1 LYS 19 -15.995 6.974 -1.678 169 2HG LYS 19 HG2 LYS 19 -17.044 7.003 -0.265 170 1HD LYS 19 HD1 LYS 19 -18.808 8.115 -1.582 171 2HD LYS 19 HD2 LYS 19 -17.787 8.058 -3.014 172 1HE LYS 19 HE1 LYS 19 -16.062 9.393 -1.750 173 2HE LYS 19 HE2 LYS 19 -17.223 9.562 -0.441 174 1HZ LYS 19 HZ1 LYS 19 -17.585 11.456 -1.639 175 2HZ LYS 19 HZ2 LYS 19 -18.750 10.428 -2.324 176 3HZ LYS 19 HZ3 LYS 19 -17.287 10.715 -3.138 177 H HIS 20 HN HIS 20 -17.535 2.974 -3.096 178 HA HIS 20 HA HIS 20 -19.933 1.780 -2.197 179 1HB HIS 20 HB1 HIS 20 -17.809 0.677 -4.077 180 2HB HIS 20 HB2 HIS 20 -19.174 1.676 -4.567 181 HD1 HIS 20 HD1 HIS 20 -21.173 0.293 -5.131 182 HD2 HIS 20 HD2 HIS 20 -18.578 -1.827 -2.828 183 HE1 HIS 20 HE1 HIS 20 -22.132 -1.952 -4.962 184 H ILE 21 HN ILE 21 -16.626 0.433 -2.209 185 HA ILE 21 HA ILE 21 -17.297 -1.976 -0.891 186 HB ILE 21 HB ILE 21 -14.985 -1.046 -1.942 187 1HG1 ILE 21 HG11 ILE 21 -15.284 -3.064 0.310 188 2HG1 ILE 21 HG12 ILE 21 -13.814 -2.889 -0.638 189 1HG2 ILE 21 HG21 ILE 21 -14.430 -0.903 1.059 190 2HG2 ILE 21 HG22 ILE 21 -14.804 0.536 0.130 191 3HG2 ILE 21 HG23 ILE 21 -13.382 -0.401 -0.262 192 1HD1 ILE 21 HD1 ILE 21 -14.709 -4.225 -2.225 193 2HD1 ILE 21 HD2 ILE 21 -15.986 -3.046 -2.490 194 3HD1 ILE 21 HD3 ILE 21 -16.210 -4.334 -1.313 195 NH1 ARG 22 NH2 ARG 22 -14.065 2.940 5.895 196 NH2 ARG 22 NH1 ARG 22 -16.319 2.884 6.268 197 H ARG 22 HN ARG 22 -16.795 1.240 0.382 198 HA ARG 22 HA ARG 22 -16.658 0.324 3.154 199 1HB ARG 22 HB1 ARG 22 -17.217 2.882 3.515 200 2HB ARG 22 HB2 ARG 22 -17.023 3.014 1.772 201 1HG ARG 22 HG1 ARG 22 -14.739 2.279 1.875 202 2HG ARG 22 HG2 ARG 22 -14.907 1.751 3.545 203 1HD ARG 22 HD1 ARG 22 -15.117 4.625 2.589 204 2HD ARG 22 HD2 ARG 22 -13.734 3.923 3.428 205 HE ARG 22 HE ARG 22 -16.029 4.937 4.733 206 1HH1 ARG 22 HH21 ARG 22 -13.293 3.289 5.363 207 2HH1 ARG 22 HH22 ARG 22 -13.904 2.305 6.650 208 1HH2 ARG 22 HH11 ARG 22 -17.236 3.192 6.015 209 2HH2 ARG 22 HH12 ARG 22 -16.196 2.248 7.029 210 H THR 23 HN THR 23 -19.190 0.799 0.903 211 HA THR 23 HA THR 23 -21.205 1.432 2.902 212 HB THR 23 HB THR 23 -21.648 0.182 0.115 213 HG1 THR 23 HG1 THR 23 -20.486 2.453 0.899 214 1HG2 THR 23 HG21 THR 23 -23.548 2.151 0.498 215 2HG2 THR 23 HG22 THR 23 -23.351 1.624 2.166 216 3HG2 THR 23 HG23 THR 23 -23.855 0.476 0.934 217 H HIS 24 HN HIS 24 -19.464 -1.342 2.333 218 HA HIS 24 HA HIS 24 -21.705 -3.178 3.034 219 1HB HIS 24 HB1 HIS 24 -19.724 -4.899 2.871 220 2HB HIS 24 HB2 HIS 24 -18.805 -3.567 2.183 221 HD1 HIS 24 HD1 HIS 24 -22.069 -5.297 1.456 222 HD2 HIS 24 HD2 HIS 24 -19.098 -3.319 -0.514 223 HE1 HIS 24 HE1 HIS 24 -22.587 -5.535 -0.956 224 H THR 25 HN THR 25 -19.825 -1.160 4.723 225 HA THR 25 HA THR 25 -19.022 -3.061 6.839 226 HB THR 25 HB THR 25 -18.327 -0.711 7.908 227 HG1 THR 25 HG1 THR 25 -19.734 -0.045 5.844 228 1HG2 THR 25 HG21 THR 25 -16.487 -1.979 6.969 229 2HG2 THR 25 HG22 THR 25 -16.471 -0.484 6.037 230 3HG2 THR 25 HG23 THR 25 -17.195 -1.938 5.356 231 H ASP 26 HN ASP 26 -20.136 0.088 7.676 232 HA ASP 26 HA ASP 26 -22.759 -0.844 8.563 233 1HB ASP 26 HB1 ASP 26 -22.186 -0.125 10.990 234 2HB ASP 26 HB2 ASP 26 -20.496 -0.189 10.500 235 H VAL 27 HN VAL 27 -21.385 1.207 6.955 236 HA VAL 27 HA VAL 27 -22.207 3.690 8.346 237 HB VAL 27 HB VAL 27 -20.013 3.692 7.256 238 1HG1 VAL 27 HG11 VAL 27 -20.327 1.883 5.683 239 2HG1 VAL 27 HG12 VAL 27 -19.857 3.315 4.777 240 3HG1 VAL 27 HG13 VAL 27 -21.541 2.802 4.798 241 1HG2 VAL 27 HG21 VAL 27 -21.356 5.224 5.143 242 2HG2 VAL 27 HG22 VAL 27 -20.268 5.786 6.407 243 3HG2 VAL 27 HG23 VAL 27 -21.982 5.579 6.750 244 NH1 ARG 28 NH2 ARG 28 -25.410 -2.858 4.841 245 NH2 ARG 28 NH1 ARG 28 -23.131 -2.946 4.964 246 H ARG 28 HN ARG 28 -24.313 2.122 7.773 247 HA ARG 28 HA ARG 28 -25.676 3.555 5.541 248 1HB ARG 28 HB1 ARG 28 -27.010 1.323 5.393 249 2HB ARG 28 HB2 ARG 28 -25.712 0.637 6.362 250 1HG ARG 28 HG1 ARG 28 -24.100 1.583 4.613 251 2HG ARG 28 HG2 ARG 28 -25.512 1.865 3.607 252 1HD ARG 28 HD1 ARG 28 -24.740 -0.295 2.963 253 2HD ARG 28 HD2 ARG 28 -26.095 -0.616 4.041 254 HE ARG 28 HE ARG 28 -23.566 -0.493 5.470 255 1HH1 ARG 28 HH21 ARG 28 -26.244 -2.308 4.789 256 2HH1 ARG 28 HH22 ARG 28 -25.469 -3.856 4.850 257 1HH2 ARG 28 HH11 ARG 28 -22.255 -2.464 5.005 258 2HH2 ARG 28 HH12 ARG 28 -23.151 -3.946 4.975 259 HA PRO 29 HA PRO 29 -27.818 4.243 9.632 260 1HB PRO 29 HB1 PRO 29 -27.830 6.531 9.817 261 2HB PRO 29 HB2 PRO 29 -28.833 6.696 8.374 262 1HG PRO 29 HG1 PRO 29 -25.925 7.040 8.634 263 2HG PRO 29 HG2 PRO 29 -26.966 7.465 7.274 264 1HD PRO 29 HD1 PRO 29 -26.358 5.590 6.141 265 2HD PRO 29 HD2 PRO 29 -25.145 5.276 7.396 266 OH TYR 30 OH TYR 30 -30.507 9.563 4.440 267 H TYR 30 HN TYR 30 -28.866 3.957 6.377 268 HA TYR 30 HA TYR 30 -31.726 4.082 7.142 269 1HB TYR 30 HB1 TYR 30 -32.100 3.646 4.692 270 2HB TYR 30 HB2 TYR 30 -30.375 3.427 4.472 271 HD1 TYR 30 HD1 TYR 30 -32.716 5.931 5.994 272 HD2 TYR 30 HD2 TYR 30 -29.165 5.303 3.738 273 HE1 TYR 30 HE1 TYR 30 -32.450 8.354 5.727 274 HE2 TYR 30 HE2 TYR 30 -28.898 7.722 3.482 275 HH TYR 30 HH TYR 30 -30.033 9.722 3.620 276 H HIS 31 HN HIS 31 -31.736 2.290 8.605 277 HA HIS 31 HA HIS 31 -31.265 -0.392 7.396 278 1HB HIS 31 HB1 HIS 31 -31.532 -1.182 9.781 279 2HB HIS 31 HB2 HIS 31 -31.823 0.485 10.270 280 HD1 HIS 31 HD1 HIS 31 -29.140 -1.771 9.531 281 HD2 HIS 31 HD2 HIS 31 -29.543 2.252 9.856 282 HE1 HIS 31 HE1 HIS 31 -26.871 -0.932 9.734 283 H CYS 32 HN CYS 32 -32.869 -1.925 7.173 284 HA CYS 32 HA CYS 32 -35.571 -0.973 6.912 285 1HB CYS 32 HB1 CYS 32 -34.240 -3.699 6.899 286 2HB CYS 32 HB2 CYS 32 -34.963 -2.847 5.560 287 H THR 33 HN THR 33 -37.406 -1.514 8.168 288 HA THR 33 HA THR 33 -36.816 -1.659 11.029 289 HB THR 33 HB THR 33 -39.514 -1.637 9.538 290 HG1 THR 33 HG1 THR 33 -37.599 0.117 9.737 291 1HG2 THR 33 HG21 THR 33 -38.639 -1.301 12.445 292 2HG2 THR 33 HG22 THR 33 -40.039 -2.176 11.835 293 3HG2 THR 33 HG23 THR 33 -40.042 -0.417 11.856 294 OH TYR 34 OH TYR 34 -43.236 -3.378 9.528 295 H TYR 34 HN TYR 34 -36.557 -3.983 8.968 296 HA TYR 34 HA TYR 34 -37.644 -6.016 10.845 297 1HB TYR 34 HB1 TYR 34 -38.579 -7.321 8.950 298 2HB TYR 34 HB2 TYR 34 -38.023 -6.103 7.809 299 HD1 TYR 34 HD2 TYR 34 -39.057 -3.815 7.848 300 HD2 TYR 34 HD1 TYR 34 -40.593 -6.987 10.229 301 HE1 TYR 34 HE2 TYR 34 -41.150 -2.576 8.146 302 HE2 TYR 34 HE1 TYR 34 -42.689 -5.746 10.524 303 HH TYR 34 HH TYR 34 -43.027 -2.546 9.957 304 H CYS 35 HN CYS 35 -36.079 -5.953 7.655 305 HA CYS 35 HA CYS 35 -34.380 -8.197 8.230 306 1HB CYS 35 HB1 CYS 35 -33.262 -7.608 6.153 307 2HB CYS 35 HB2 CYS 35 -33.848 -5.972 6.236 308 H ASN 36 HN ASN 36 -31.935 -7.836 7.733 309 HA ASN 36 HA ASN 36 -30.962 -5.859 9.748 310 1HB ASN 36 HB1 ASN 36 -29.583 -8.351 8.614 311 2HB ASN 36 HB2 ASN 36 -30.470 -8.326 10.135 312 1HD2 ASN 36 HD21 ASN 36 -29.669 -6.520 11.716 313 2HD2 ASN 36 HD22 ASN 36 -27.990 -6.273 11.791 314 H PHE 37 HN PHE 37 -31.503 -5.943 6.641 315 HA PHE 37 HA PHE 37 -28.868 -5.159 5.614 316 1HB PHE 37 HB1 PHE 37 -31.399 -4.701 4.058 317 2HB PHE 37 HB2 PHE 37 -30.991 -6.374 4.436 318 HD1 PHE 37 HD2 PHE 37 -28.611 -7.181 3.833 319 HD2 PHE 37 HD1 PHE 37 -30.292 -3.581 2.308 320 HE1 PHE 37 HE2 PHE 37 -26.961 -7.181 2.012 321 HE2 PHE 37 HE1 PHE 37 -28.641 -3.584 0.487 322 HZ PHE 37 HZ PHE 37 -26.975 -5.382 0.340 323 H SER 38 HN SER 38 -28.517 -3.102 4.597 324 HA SER 38 HA SER 38 -30.387 -0.955 5.329 325 1HB SER 38 HB1 SER 38 -27.463 -0.836 6.189 326 2HB SER 38 HB2 SER 38 -28.761 -1.330 7.283 327 HG SER 38 HG1 SER 38 -29.512 0.641 7.308 328 H PHE 39 HN PHE 39 -29.521 1.183 4.522 329 HA PHE 39 HA PHE 39 -27.848 0.797 2.087 330 1HB PHE 39 HB1 PHE 39 -29.487 1.976 0.764 331 2HB PHE 39 HB2 PHE 39 -30.355 2.515 2.202 332 HD1 PHE 39 HD2 PHE 39 -31.634 0.857 3.570 333 HD2 PHE 39 HD1 PHE 39 -29.865 -0.243 -0.143 334 HE1 PHE 39 HE2 PHE 39 -32.964 -1.206 3.548 335 HE2 PHE 39 HE1 PHE 39 -31.214 -2.296 -0.170 336 HZ PHE 39 HZ PHE 39 -32.768 -2.777 1.675 337 H LYS 40 HN LYS 40 -26.899 2.749 1.287 338 HA LYS 40 HA LYS 40 -26.156 4.567 3.477 339 1HB LYS 40 HB1 LYS 40 -25.261 4.228 0.574 340 2HB LYS 40 HB2 LYS 40 -24.392 3.717 2.002 341 1HG LYS 40 HG1 LYS 40 -24.941 6.590 1.180 342 2HG LYS 40 HG2 LYS 40 -23.391 5.771 1.141 343 1HD LYS 40 HD1 LYS 40 -23.835 5.340 3.682 344 2HD LYS 40 HD2 LYS 40 -24.974 6.667 3.537 345 1HE LYS 40 HE1 LYS 40 -22.006 6.694 3.385 346 2HE LYS 40 HE2 LYS 40 -23.107 7.926 3.987 347 1HZ LYS 40 HZ1 LYS 40 -23.746 8.195 1.540 348 2HZ LYS 40 HZ2 LYS 40 -22.294 7.378 1.211 349 3HZ LYS 40 HZ3 LYS 40 -22.267 8.846 2.065 350 H THR 41 HN THR 41 -28.416 4.435 0.979 351 HA THR 41 HA THR 41 -28.847 7.388 1.162 352 HB THR 41 HB THR 41 -29.385 7.427 -1.192 353 HG1 THR 41 HG1 THR 41 -30.797 5.714 -1.180 354 1HG2 THR 41 HG21 THR 41 -27.502 6.361 -2.281 355 2HG2 THR 41 HG22 THR 41 -27.515 5.007 -1.154 356 3HG2 THR 41 HG23 THR 41 -26.906 6.577 -0.639 357 H LYS 42 HN LYS 42 -31.032 8.087 0.920 358 HA LYS 42 HA LYS 42 -32.864 6.303 2.296 359 1HB LYS 42 HB1 LYS 42 -33.577 9.013 1.137 360 2HB LYS 42 HB2 LYS 42 -32.574 8.902 2.578 361 1HG LYS 42 HG1 LYS 42 -34.287 7.958 3.862 362 2HG LYS 42 HG2 LYS 42 -35.142 7.342 2.454 363 1HD LYS 42 HD1 LYS 42 -36.061 9.436 1.933 364 2HD LYS 42 HD2 LYS 42 -34.808 10.311 2.805 365 1HE LYS 42 HE1 LYS 42 -36.798 8.498 4.194 366 2HE LYS 42 HE2 LYS 42 -37.093 10.215 3.951 367 1HZ LYS 42 HZ1 LYS 42 -34.661 9.178 5.279 368 2HZ LYS 42 HZ2 LYS 42 -36.076 9.576 6.129 369 3HZ LYS 42 HZ3 LYS 42 -35.241 10.774 5.262 370 H GLY 43 HN GLY 43 -32.062 6.926 -0.899 371 1HA GLY 43 HA1 GLY 43 -33.136 6.445 -2.940 372 2HA GLY 43 HA2 GLY 43 -34.675 6.680 -2.113 373 H ASN 44 HN ASN 44 -31.998 4.379 -1.706 374 HA ASN 44 HA ASN 44 -33.472 2.137 -2.674 375 1HB ASN 44 HB1 ASN 44 -31.611 0.884 -1.289 376 2HB ASN 44 HB2 ASN 44 -30.967 2.495 -0.995 377 1HD2 ASN 44 HD21 ASN 44 -29.354 2.972 -2.464 378 2HD2 ASN 44 HD22 ASN 44 -29.343 2.512 -4.098 379 H LEU 45 HN LEU 45 -33.495 3.812 0.305 380 HA LEU 45 HA LEU 45 -34.291 1.657 2.019 381 1HB LEU 45 HB1 LEU 45 -34.924 4.656 2.182 382 2HB LEU 45 HB2 LEU 45 -33.478 3.906 2.819 383 HG LEU 45 HG LEU 45 -34.951 4.200 4.688 384 1HD1 LEU 45 HD11 LEU 45 -37.225 2.586 3.623 385 2HD1 LEU 45 HD12 LEU 45 -37.033 4.191 2.943 386 3HD1 LEU 45 HD13 LEU 45 -37.234 3.991 4.675 387 1HD2 LEU 45 HD21 LEU 45 -35.072 2.008 5.549 388 2HD2 LEU 45 HD22 LEU 45 -33.810 1.902 4.328 389 3HD2 LEU 45 HD23 LEU 45 -35.422 1.295 3.982 390 H THR 46 HN THR 46 -36.224 4.222 0.473 391 HA THR 46 HA THR 46 -38.744 3.064 1.182 392 HB THR 46 HB THR 46 -38.179 4.792 -1.298 393 HG1 THR 46 HG1 THR 46 -38.802 5.731 1.282 394 1HG2 THR 46 HG21 THR 46 -40.568 4.085 -0.990 395 2HG2 THR 46 HG22 THR 46 -40.412 5.782 -0.546 396 3HG2 THR 46 HG23 THR 46 -40.499 4.548 0.708 397 H LYS 47 HN LYS 47 -36.569 2.585 -1.527 398 HA LYS 47 HA LYS 47 -38.370 1.186 -3.237 399 1HB LYS 47 HB1 LYS 47 -35.371 0.702 -2.874 400 2HB LYS 47 HB2 LYS 47 -36.046 2.000 -3.853 401 1HG LYS 47 HG1 LYS 47 -37.325 -0.480 -4.574 402 2HG LYS 47 HG2 LYS 47 -35.580 -0.697 -4.633 403 1HD LYS 47 HD1 LYS 47 -35.396 1.362 -6.026 404 2HD LYS 47 HD2 LYS 47 -37.148 1.515 -6.001 405 1HE LYS 47 HE1 LYS 47 -37.008 0.284 -7.932 406 2HE LYS 47 HE2 LYS 47 -36.913 -1.069 -6.812 407 1HZ LYS 47 HZ1 LYS 47 -34.479 -0.847 -6.877 408 2HZ LYS 47 HZ2 LYS 47 -34.637 0.355 -8.067 409 3HZ LYS 47 HZ3 LYS 47 -35.151 -1.231 -8.388 410 H HIS 48 HN HIS 48 -36.427 0.109 -0.498 411 HA HIS 48 HA HIS 48 -37.103 -2.703 -0.970 412 1HB HIS 48 HB1 HIS 48 -35.753 -1.232 1.349 413 2HB HIS 48 HB2 HIS 48 -34.970 -2.227 0.126 414 HD1 HIS 48 HD1 HIS 48 -35.916 -4.799 0.229 415 HD2 HIS 48 HD2 HIS 48 -36.385 -2.615 3.654 416 HE1 HIS 48 HE1 HIS 48 -36.302 -6.443 1.999 417 H MET 49 HN MET 49 -38.304 -0.054 0.971 418 HA MET 49 HA MET 49 -40.022 -1.778 2.590 419 1HB MET 49 HB1 MET 49 -40.998 0.467 3.307 420 2HB MET 49 HB2 MET 49 -39.918 1.246 2.156 421 1HG MET 49 HG1 MET 49 -38.984 1.219 4.443 422 2HG MET 49 HG2 MET 49 -37.978 0.381 3.293 423 1HE MET 49 HE1 MET 49 -40.475 0.101 6.221 424 2HE MET 49 HE2 MET 49 -38.827 0.534 6.678 425 3HE MET 49 HE3 MET 49 -39.521 -0.991 7.225 426 H LYS 50 HN LYS 50 -40.283 0.035 -0.374 427 HA LYS 50 HA LYS 50 -43.142 0.113 -0.538 428 1HB LYS 50 HB1 LYS 50 -41.200 -0.129 -2.882 429 2HB LYS 50 HB2 LYS 50 -41.416 1.374 -1.994 430 1HG LYS 50 HG1 LYS 50 -43.855 -0.047 -3.013 431 2HG LYS 50 HG2 LYS 50 -42.874 0.860 -4.157 432 1HD LYS 50 HD1 LYS 50 -43.340 2.899 -3.151 433 2HD LYS 50 HD2 LYS 50 -43.576 2.180 -1.562 434 1HE LYS 50 HE1 LYS 50 -45.472 1.814 -3.905 435 2HE LYS 50 HE2 LYS 50 -45.715 2.973 -2.605 436 1HZ LYS 50 HZ1 LYS 50 -45.373 0.839 -1.150 437 2HZ LYS 50 HZ2 LYS 50 -45.912 0.059 -2.559 438 3HZ LYS 50 HZ3 LYS 50 -46.890 1.227 -1.807 439 H SER 51 HN SER 51 -40.768 -2.173 -1.871 440 HA SER 51 HA SER 51 -42.425 -3.900 -3.262 441 1HB SER 51 HB1 SER 51 -39.881 -4.131 -2.846 442 2HB SER 51 HB2 SER 51 -40.768 -5.663 -2.746 443 HG SER 51 HG1 SER 51 -39.322 -4.688 -0.872 444 H LYS 52 HN LYS 52 -43.403 -5.947 -2.669 445 HA LYS 52 HA LYS 52 -45.137 -5.651 -0.372 446 1HB LYS 52 HB1 LYS 52 -45.453 -8.271 -1.127 447 2HB LYS 52 HB2 LYS 52 -44.713 -7.625 -2.587 448 1HG LYS 52 HG1 LYS 52 -47.157 -6.440 -1.223 449 2HG LYS 52 HG2 LYS 52 -47.207 -7.481 -2.639 450 1HD LYS 52 HD1 LYS 52 -45.847 -5.852 -3.902 451 2HD LYS 52 HD2 LYS 52 -45.762 -4.812 -2.486 452 1HE LYS 52 HE1 LYS 52 -48.008 -4.209 -2.622 453 2HE LYS 52 HE2 LYS 52 -48.458 -5.680 -3.475 454 1HZ LYS 52 HZ1 LYS 52 -48.073 -4.737 -5.430 455 2HZ LYS 52 HZ2 LYS 52 -46.593 -4.070 -4.935 456 3HZ LYS 52 HZ3 LYS 52 -48.044 -3.253 -4.605 457 H ALA 53 HN ALA 53 -42.037 -6.171 -0.255 458 HA ALA 53 HA ALA 53 -41.380 -8.539 0.992 459 1HB ALA 53 HB1 ALA 53 -40.587 -5.695 1.786 460 2HB ALA 53 HB2 ALA 53 -39.723 -6.756 0.677 461 3HB ALA 53 HB3 ALA 53 -39.774 -7.134 2.396 462 H HIS 54 HN HIS 54 -41.625 -5.907 3.281 463 HA HIS 54 HA HIS 54 -43.843 -7.185 4.697 464 1HB HIS 54 HB1 HIS 54 -42.264 -8.509 5.768 465 2HB HIS 54 HB2 HIS 54 -42.149 -7.089 6.800 466 HD1 HIS 54 HD1 HIS 54 -40.170 -9.102 4.596 467 HD2 HIS 54 HD2 HIS 54 -39.903 -5.280 6.027 468 HE1 HIS 54 HE1 HIS 54 -37.846 -8.429 4.232 469 H SER 55 HN SER 55 -44.913 -5.258 4.542 470 HA SER 55 HA SER 55 -43.935 -3.146 6.399 471 1HB SER 55 HB1 SER 55 -45.003 -2.706 3.554 472 2HB SER 55 HB2 SER 55 -43.366 -2.333 4.130 473 HG SER 55 HG1 SER 55 -44.124 -0.574 4.976 474 H LYS 56 HN LYS 56 -45.928 -5.201 6.715 475 HA LYS 56 HA LYS 56 -48.536 -3.912 6.398 476 1HB LYS 56 HB1 LYS 56 -49.416 -5.968 7.208 477 2HB LYS 56 HB2 LYS 56 -47.995 -6.299 8.192 478 1HG LYS 56 HG1 LYS 56 -46.666 -6.788 6.225 479 2HG LYS 56 HG2 LYS 56 -47.955 -6.247 5.159 480 1HD LYS 56 HD1 LYS 56 -49.407 -8.069 5.957 481 2HD LYS 56 HD2 LYS 56 -48.154 -8.593 7.077 482 1HE LYS 56 HE1 LYS 56 -46.637 -8.780 4.982 483 2HE LYS 56 HE2 LYS 56 -48.131 -8.698 4.058 484 1HZ LYS 56 HZ1 LYS 56 -48.923 -10.573 5.527 485 2HZ LYS 56 HZ2 LYS 56 -47.306 -10.746 6.020 486 3HZ LYS 56 HZ3 LYS 56 -47.722 -10.955 4.387 487 H LYS 57 HN LYS 57 -47.172 -2.111 7.759 488 HA LYS 57 HA LYS 57 -46.983 -2.317 10.548 489 1HB LYS 57 HB1 LYS 57 -47.905 0.143 8.992 490 2HB LYS 57 HB2 LYS 57 -46.223 -0.366 9.094 491 1HG LYS 57 HG1 LYS 57 -46.331 -0.192 11.569 492 2HG LYS 57 HG2 LYS 57 -48.003 0.343 11.452 493 1HD LYS 57 HD1 LYS 57 -46.893 2.113 9.756 494 2HD LYS 57 HD2 LYS 57 -45.491 1.808 10.776 495 1HE LYS 57 HE1 LYS 57 -48.235 2.730 11.687 496 2HE LYS 57 HE2 LYS 57 -46.745 3.662 11.729 497 1HZ LYS 57 HZ1 LYS 57 -46.692 2.912 13.826 498 2HZ LYS 57 HZ2 LYS 57 -46.013 1.526 13.116 499 3HZ LYS 57 LYS 57 -47.668 1.561 13.500 Start of MODEL 15 Raw file had 499 H/Q atoms Start of MODEL 15 1 1H LYS 1 HT1 LYS 1 -8.727 -1.921 -10.591 2 2H LYS 1 HT2 LYS 1 -7.811 -3.213 -11.204 3 3H LYS 1 HT3 LYS 1 -7.935 -2.980 -9.525 4 HA LYS 1 HA LYS 1 -10.101 -3.773 -11.390 5 1HB LYS 1 HB1 LYS 1 -10.127 -5.830 -9.974 6 2HB LYS 1 HB2 LYS 1 -8.813 -5.187 -8.996 7 1HG LYS 1 HG1 LYS 1 -8.367 -5.270 -11.945 8 2HG LYS 1 HG2 LYS 1 -8.389 -6.820 -11.112 9 1HD LYS 1 HD1 LYS 1 -6.778 -4.573 -9.933 10 2HD LYS 1 HD2 LYS 1 -6.130 -5.446 -11.317 11 1HE LYS 1 HE1 LYS 1 -7.199 -6.884 -8.879 12 2HE LYS 1 HE2 LYS 1 -5.521 -6.367 -8.992 13 1HZ LYS 1 HZ1 LYS 1 -6.110 -7.635 -11.376 14 2HZ LYS 1 HZ2 LYS 1 -6.767 -8.616 -10.154 15 3HZ LYS 1 HZ3 LYS 1 -5.120 -8.205 -10.118 16 OH TYR 2 OH TYR 2 -7.839 2.598 -8.791 17 H TYR 2 HN TYR 2 -11.435 -2.043 -10.777 18 HA TYR 2 HA TYR 2 -12.136 -1.829 -7.902 19 1HB TYR 2 HB1 TYR 2 -13.461 0.149 -8.676 20 2HB TYR 2 HB2 TYR 2 -13.048 -0.238 -10.345 21 HD1 TYR 2 HD2 TYR 2 -11.574 0.706 -7.063 22 HD2 TYR 2 HD1 TYR 2 -10.946 0.419 -11.259 23 HE1 TYR 2 HE2 TYR 2 -9.479 1.963 -6.837 24 HE2 TYR 2 HE1 TYR 2 -8.848 1.666 -11.032 25 HH TYR 2 HH TYR 2 -7.839 3.024 -7.930 26 H ILE 3 HN ILE 3 -12.886 -4.239 -9.054 27 HA ILE 3 HA ILE 3 -15.825 -3.948 -9.481 28 HB ILE 3 HB ILE 3 -14.081 -6.414 -9.909 29 1HG1 ILE 3 HG11 ILE 3 -14.389 -3.955 -11.520 30 2HG1 ILE 3 HG12 ILE 3 -14.670 -5.445 -12.414 31 1HG2 ILE 3 HG21 ILE 3 -15.987 -7.101 -11.342 32 2HG2 ILE 3 HG22 ILE 3 -16.778 -5.551 -11.080 33 3HG2 ILE 3 HG23 ILE 3 -16.597 -6.683 -9.745 34 1HD1 ILE 3 HD1 ILE 3 -12.242 -4.975 -10.655 35 2HD1 ILE 3 HD2 ILE 3 -12.254 -4.703 -12.394 36 3HD1 ILE 3 HD3 ILE 3 -12.506 -6.325 -11.755 37 H CYS 4 HN CYS 4 -16.756 -3.965 -7.457 38 HA CYS 4 HA CYS 4 -15.788 -5.223 -5.168 39 1HB CYS 4 HB1 CYS 4 -18.648 -4.830 -6.089 40 2HB CYS 4 HB2 CYS 4 -17.746 -3.816 -4.998 41 H GLU 5 HN GLU 5 -15.198 -7.219 -4.875 42 HA GLU 5 HA GLU 5 -15.857 -9.394 -6.553 43 1HB GLU 5 HB1 GLU 5 -14.952 -10.785 -4.609 44 2HB GLU 5 HB2 GLU 5 -14.865 -9.298 -3.671 45 1HG GLU 5 HG1 GLU 5 -12.783 -9.072 -4.566 46 2HG GLU 5 HG2 GLU 5 -13.620 -8.579 -6.036 47 H GLU 6 HN GLU 6 -17.650 -7.989 -3.972 48 HA GLU 6 HA GLU 6 -19.224 -10.403 -3.524 49 1HB GLU 6 HB1 GLU 6 -19.927 -7.629 -2.526 50 2HB GLU 6 HB2 GLU 6 -18.621 -8.539 -1.780 51 1HG GLU 6 HG1 GLU 6 -20.228 -10.436 -1.409 52 2HG GLU 6 HG2 GLU 6 -21.520 -9.415 -2.033 53 H CYS 7 HN CYS 7 -20.216 -7.077 -4.319 54 HA CYS 7 HA CYS 7 -22.661 -8.066 -5.563 55 1HB CYS 7 HB1 CYS 7 -23.174 -5.761 -5.934 56 2HB CYS 7 HB2 CYS 7 -21.500 -5.294 -5.906 57 H GLY 8 HN GLY 8 -19.773 -6.373 -6.738 58 1HA GLY 8 HA1 GLY 8 -20.286 -7.561 -9.434 59 2HA GLY 8 HA2 GLY 8 -18.686 -7.174 -8.813 60 H ILE 9 HN ILE 9 -20.159 -4.673 -7.644 61 HA ILE 9 HA ILE 9 -20.986 -3.078 -9.822 62 HB ILE 9 HB ILE 9 -21.164 -2.645 -7.251 63 1HG1 ILE 9 HG11 ILE 9 -21.948 -1.094 -9.038 64 2HG1 ILE 9 HG12 ILE 9 -20.353 -0.357 -9.077 65 1HG2 ILE 9 HG21 ILE 9 -18.564 -1.123 -7.778 66 2HG2 ILE 9 HG22 ILE 9 -18.554 -2.733 -7.074 67 3HG2 ILE 9 HG23 ILE 9 -19.347 -1.418 -6.238 68 1HD1 ILE 9 HD1 ILE 9 -20.568 0.474 -6.847 69 2HD1 ILE 9 HD2 ILE 9 -21.955 -0.560 -6.519 70 3HD1 ILE 9 HD3 ILE 9 -22.117 0.808 -7.613 71 NH1 ARG 10 NH1 ARG 10 -14.077 -3.835 -15.821 72 NH2 ARG 10 NH2 ARG 10 -14.325 -2.942 -17.910 73 H ARG 10 HN ARG 10 -19.890 -2.172 -11.443 74 HA ARG 10 HA ARG 10 -16.914 -2.255 -11.317 75 1HB ARG 10 HB1 ARG 10 -18.672 -1.658 -13.738 76 2HB ARG 10 HB2 ARG 10 -18.276 -3.301 -13.251 77 1HG ARG 10 HG1 ARG 10 -15.809 -2.561 -13.328 78 2HG ARG 10 HG2 ARG 10 -16.381 -1.128 -14.173 79 1HD ARG 10 HD1 ARG 10 -17.662 -2.934 -15.656 80 2HD ARG 10 HD2 ARG 10 -16.373 -3.987 -15.074 81 HE ARG 10 HE ARG 10 -15.867 -1.448 -16.577 82 1HH1 ARG 10 HH11 ARG 10 -14.390 -3.895 -14.874 83 2HH1 ARG 10 HH12 ARG 10 -13.292 -4.374 -16.124 84 1HH2 ARG 10 HH21 ARG 10 -14.822 -2.333 -18.527 85 2HH2 ARG 10 HH22 ARG 10 -13.543 -3.466 -18.247 86 H ABA 11 HN ABU 11 -16.117 -0.435 -10.472 87 HA ABA 11 HA ABU 11 -17.118 2.166 -11.591 88 1HB ABA 11 HB1 ABU 11 -16.592 3.180 -9.410 89 2HB ABA 11 HB2 ABU 11 -15.947 1.666 -8.812 90 1HG ABA 11 HG1 ABU 11 -18.259 0.661 -9.264 91 2HG ABA 11 HG2 ABU 11 -18.826 2.307 -9.507 92 3HG ABA 11 HG3 ABU 11 -18.180 1.819 -7.944 93 H LYS 12 HN LYS 12 -15.594 2.565 -13.094 94 HA LYS 12 HA LYS 12 -12.849 1.920 -12.914 95 1HB LYS 12 HB1 LYS 12 -12.601 3.640 -14.746 96 2HB LYS 12 HB2 LYS 12 -14.264 4.134 -14.458 97 1HG LYS 12 HG1 LYS 12 -15.087 1.922 -15.041 98 2HG LYS 12 HG2 LYS 12 -13.450 1.293 -15.160 99 1HD LYS 12 HD1 LYS 12 -14.561 3.533 -16.895 100 2HD LYS 12 HD2 LYS 12 -14.465 1.851 -17.398 101 1HE LYS 12 HE1 LYS 12 -11.895 2.258 -16.563 102 2HE LYS 12 HE2 LYS 12 -12.304 3.871 -17.134 103 1HZ LYS 12 HZ1 LYS 12 -11.693 1.572 -18.634 104 2HZ LYS 12 HZ2 LYS 12 -11.970 3.157 -19.178 105 3HZ LYS 12 HZ3 LYS 12 -13.270 2.074 -19.015 106 H LYS 13 HN LYS 13 -14.261 3.807 -10.735 107 HA LYS 13 HA LYS 13 -11.844 5.523 -10.491 108 1HB LYS 13 HB1 LYS 13 -13.448 7.289 -9.512 109 2HB LYS 13 HB2 LYS 13 -14.762 6.288 -10.121 110 1HG LYS 13 HG1 LYS 13 -13.827 6.448 -12.408 111 2HG LYS 13 HG2 LYS 13 -12.507 7.441 -11.801 112 1HD LYS 13 HD1 LYS 13 -15.226 8.375 -11.070 113 2HD LYS 13 HD2 LYS 13 -14.837 8.467 -12.784 114 1HE LYS 13 HE1 LYS 13 -14.192 10.541 -11.548 115 2HE LYS 13 HE2 LYS 13 -12.811 9.747 -12.294 116 1HZ LYS 13 HZ1 LYS 13 -13.568 9.158 -9.508 117 2HZ LYS 13 HZ2 LYS 13 -12.620 10.515 -9.883 118 3HZ LYS 13 HZ3 LYS 13 -12.064 8.958 -10.270 119 HA PRO 14 HA PRO 14 -11.610 3.857 -6.371 120 1HB PRO 14 HB1 PRO 14 -9.618 4.840 -5.748 121 2HB PRO 14 HB2 PRO 14 -10.534 6.219 -5.138 122 1HG PRO 14 HG1 PRO 14 -8.773 6.238 -7.366 123 2HG PRO 14 HG2 PRO 14 -9.904 7.518 -6.928 124 1HD PRO 14 HD1 PRO 14 -11.048 7.044 -8.858 125 2HD PRO 14 HD2 PRO 14 -10.067 5.589 -9.121 126 H SER 15 HN SER 15 -12.136 7.351 -5.914 127 HA SER 15 HA SER 15 -13.656 7.460 -3.678 128 1HB SER 15 HB1 SER 15 -13.245 9.467 -5.095 129 2HB SER 15 HB2 SER 15 -14.992 9.337 -4.801 130 HG SER 15 HG1 SER 15 -13.991 7.844 -6.906 131 H MET 16 HN MET 16 -14.952 6.486 -6.828 132 HA MET 16 HA MET 16 -17.630 6.097 -5.842 133 1HB MET 16 HB1 MET 16 -17.745 4.611 -7.988 134 2HB MET 16 HB2 MET 16 -16.085 5.127 -8.273 135 1HG MET 16 HG1 MET 16 -17.576 6.617 -9.450 136 2HG MET 16 HG2 MET 16 -16.801 7.479 -8.148 137 1HE MET 16 HE1 MET 16 -19.940 6.698 -9.983 138 2HE MET 16 HE2 MET 16 -19.212 8.304 -9.982 139 3HE MET 16 HE3 MET 16 -20.830 8.070 -9.323 140 H LEU 17 HN LEU 17 -14.971 3.794 -6.540 141 HA LEU 17 HA LEU 17 -16.455 1.562 -5.473 142 1HB LEU 17 HB1 LEU 17 -13.421 1.718 -5.620 143 2HB LEU 17 HB2 LEU 17 -14.369 1.584 -7.085 144 HG LEU 17 HG LEU 17 -13.536 -0.639 -6.196 145 1HD1 LEU 17 HD11 LEU 17 -14.414 -1.585 -4.199 146 2HD1 LEU 17 HD12 LEU 17 -15.599 -0.305 -4.010 147 3HD1 LEU 17 HD13 LEU 17 -13.891 0.034 -3.762 148 1HD2 LEU 17 HD21 LEU 17 -16.550 -0.666 -6.050 149 2HD2 LEU 17 HD22 LEU 17 -15.463 -1.823 -6.801 150 3HD2 LEU 17 HD23 LEU 17 -15.741 -0.263 -7.553 151 H LYS 18 HN LYS 18 -13.570 3.274 -4.264 152 HA LYS 18 HA LYS 18 -13.208 2.246 -1.780 153 1HB LYS 18 HB1 LYS 18 -13.193 5.125 -2.738 154 2HB LYS 18 HB2 LYS 18 -11.832 4.104 -2.300 155 1HG LYS 18 HG1 LYS 18 -12.889 4.133 0.102 156 2HG LYS 18 HG2 LYS 18 -13.799 5.520 -0.478 157 1HD LYS 18 HD1 LYS 18 -10.819 5.524 -0.894 158 2HD LYS 18 HD2 LYS 18 -11.437 5.836 0.718 159 1HE LYS 18 HE1 LYS 18 -12.716 7.282 -1.563 160 2HE LYS 18 HE2 LYS 18 -11.123 7.812 -1.046 161 1HZ LYS 18 HZ1 LYS 18 -12.203 8.967 0.488 162 2HZ LYS 18 HZ2 LYS 18 -12.482 7.491 1.281 163 3HZ LYS 18 HZ3 LYS 18 -13.659 8.130 0.237 164 H LYS 19 HN LYS 19 -15.804 4.494 -2.629 165 HA LYS 19 HA LYS 19 -16.837 4.556 0.061 166 1HB LYS 19 HB1 LYS 19 -18.909 5.507 -1.250 167 2HB LYS 19 HB2 LYS 19 -17.863 5.428 -2.664 168 1HG LYS 19 HG1 LYS 19 -16.223 6.884 -1.594 169 2HG LYS 19 HG2 LYS 19 -17.140 6.873 -0.092 170 1HD LYS 19 HD1 LYS 19 -19.030 7.981 -1.204 171 2HD LYS 19 HD2 LYS 19 -18.178 7.934 -2.742 172 1HE LYS 19 HE1 LYS 19 -16.402 9.104 -0.850 173 2HE LYS 19 HE2 LYS 19 -17.963 9.885 -0.634 174 1HZ LYS 19 HZ1 LYS 19 -17.941 10.062 -3.174 175 2HZ LYS 19 HZ2 LYS 19 -16.273 9.770 -3.044 176 3HZ LYS 19 HZ3 LYS 19 -16.960 11.123 -2.282 177 H HIS 20 HN HIS 20 -17.680 2.880 -2.932 178 HA HIS 20 HA HIS 20 -20.020 1.575 -2.029 179 1HB HIS 20 HB1 HIS 20 -17.859 0.612 -3.947 180 2HB HIS 20 HB2 HIS 20 -19.299 1.516 -4.403 181 HD1 HIS 20 HD1 HIS 20 -21.217 0.005 -4.949 182 HD2 HIS 20 HD2 HIS 20 -18.433 -1.963 -2.739 183 HE1 HIS 20 HE1 HIS 20 -22.006 -2.312 -4.823 184 H ILE 21 HN ILE 21 -16.675 0.339 -2.113 185 HA ILE 21 HA ILE 21 -17.233 -2.090 -0.775 186 HB ILE 21 HB ILE 21 -15.068 -1.593 -1.910 187 1HG1 ILE 21 HG11 ILE 21 -15.156 -2.590 0.906 188 2HG1 ILE 21 HG12 ILE 21 -13.573 -2.244 0.233 189 1HG2 ILE 21 HG21 ILE 21 -13.416 -0.137 -0.767 190 2HG2 ILE 21 HG22 ILE 21 -14.564 0.182 0.526 191 3HG2 ILE 21 HG23 ILE 21 -14.886 0.759 -1.101 192 1HD1 ILE 21 HD1 ILE 21 -13.916 -3.753 -1.592 193 2HD1 ILE 21 HD2 ILE 21 -15.637 -3.889 -1.247 194 3HD1 ILE 21 HD3 ILE 21 -14.460 -4.611 -0.154 195 NH1 ARG 22 NH1 ARG 22 -13.166 6.099 2.716 196 NH2 ARG 22 NH2 ARG 22 -11.409 5.149 3.825 197 H ARG 22 HN ARG 22 -16.672 1.150 0.483 198 HA ARG 22 HA ARG 22 -16.488 0.274 3.255 199 1HB ARG 22 HB1 ARG 22 -17.111 2.815 3.599 200 2HB ARG 22 HB2 ARG 22 -16.956 2.930 1.849 201 1HG ARG 22 HG1 ARG 22 -14.660 1.982 2.012 202 2HG ARG 22 HG2 ARG 22 -14.818 1.929 3.760 203 1HD ARG 22 HD1 ARG 22 -15.325 4.447 3.639 204 2HD ARG 22 HD2 ARG 22 -14.754 4.372 1.973 205 HE ARG 22 HE ARG 22 -12.858 3.177 3.819 206 1HH1 ARG 22 HH11 ARG 22 -14.089 6.014 2.341 207 2HH1 ARG 22 HH12 ARG 22 -12.668 6.962 2.625 208 1HH2 ARG 22 HH21 ARG 22 -11.015 4.353 4.283 209 2HH2 ARG 22 HH22 ARG 22 -10.881 5.996 3.753 210 H THR 23 HN THR 23 -19.091 0.671 1.065 211 HA THR 23 HA THR 23 -21.085 1.313 3.063 212 HB THR 23 HB THR 23 -21.481 -0.039 0.320 213 HG1 THR 23 HG1 THR 23 -20.276 2.015 0.518 214 1HG2 THR 23 HG21 THR 23 -23.672 0.013 1.275 215 2HG2 THR 23 HG22 THR 23 -23.583 1.659 0.664 216 3HG2 THR 23 HG23 THR 23 -23.271 1.333 2.365 217 H HIS 24 HN HIS 24 -19.579 -1.642 2.002 218 HA HIS 24 HA HIS 24 -21.675 -3.408 2.953 219 1HB HIS 24 HB1 HIS 24 -19.632 -5.066 3.050 220 2HB HIS 24 HB2 HIS 24 -18.707 -3.743 2.348 221 HD1 HIS 24 HD1 HIS 24 -21.716 -5.810 1.505 222 HD2 HIS 24 HD2 HIS 24 -19.001 -3.423 -0.368 223 HE1 HIS 24 HE1 HIS 24 -22.148 -6.077 -0.913 224 H THR 25 HN THR 25 -20.092 -1.199 4.643 225 HA THR 25 HA THR 25 -19.458 -2.913 6.977 226 HB THR 25 HB THR 25 -18.528 -0.722 7.865 227 HG1 THR 25 HG1 THR 25 -18.681 0.984 6.247 228 1HG2 THR 25 HG21 THR 25 -16.874 -0.241 6.031 229 2HG2 THR 25 HG22 THR 25 -17.856 -1.184 4.914 230 3HG2 THR 25 HG23 THR 25 -17.036 -1.979 6.254 231 H ASP 26 HN ASP 26 -20.256 0.142 7.894 232 HA ASP 26 HA ASP 26 -23.125 -0.364 8.299 233 1HB ASP 26 HB1 ASP 26 -22.722 0.235 10.820 234 2HB ASP 26 HB2 ASP 26 -21.036 -0.176 10.515 235 H VAL 27 HN VAL 27 -21.461 1.426 6.830 236 HA VAL 27 HA VAL 27 -21.752 4.004 8.243 237 HB VAL 27 HB VAL 27 -19.670 3.564 7.003 238 1HG1 VAL 27 HG11 VAL 27 -19.661 3.168 4.594 239 2HG1 VAL 27 HG12 VAL 27 -21.413 3.313 4.533 240 3HG1 VAL 27 HG13 VAL 27 -20.674 1.964 5.370 241 1HG2 VAL 27 HG21 VAL 27 -20.747 5.477 5.067 242 2HG2 VAL 27 HG22 VAL 27 -19.543 5.724 6.325 243 3HG2 VAL 27 HG23 VAL 27 -21.255 5.843 6.713 244 NH1 ARG 28 NH2 ARG 28 -25.651 -2.415 4.363 245 NH2 ARG 28 NH1 ARG 28 -26.440 -2.223 6.498 246 H ARG 28 HN ARG 28 -24.194 2.907 7.781 247 HA ARG 28 HA ARG 28 -25.299 4.476 5.484 248 1HB ARG 28 HB1 ARG 28 -27.293 2.886 5.828 249 2HB ARG 28 HB2 ARG 28 -26.262 1.971 6.922 250 1HG ARG 28 HG1 ARG 28 -24.585 1.810 5.034 251 2HG ARG 28 HG2 ARG 28 -25.806 2.509 3.979 252 1HD ARG 28 HD1 ARG 28 -26.304 0.271 3.657 253 2HD ARG 28 HD2 ARG 28 -27.301 0.566 5.080 254 HE ARG 28 HE ARG 28 -24.712 -0.187 5.979 255 1HH1 ARG 28 HH21 ARG 28 -25.211 -1.992 3.572 256 2HH1 ARG 28 HH22 ARG 28 -25.926 -3.376 4.327 257 1HH2 ARG 28 HH11 ARG 28 -26.592 -1.656 7.308 258 2HH2 ARG 28 HH12 ARG 28 -26.729 -3.181 6.498 259 HA PRO 29 HA PRO 29 -26.792 6.579 9.328 260 1HB PRO 29 HB1 PRO 29 -25.925 8.689 9.048 261 2HB PRO 29 HB2 PRO 29 -27.109 9.012 7.781 262 1HG PRO 29 HG1 PRO 29 -24.265 8.496 7.477 263 2HG PRO 29 HG2 PRO 29 -25.435 8.893 6.217 264 1HD PRO 29 HD1 PRO 29 -25.477 6.729 5.514 265 2HD PRO 29 HD2 PRO 29 -24.201 6.354 6.684 266 OH TYR 30 OH TYR 30 -27.694 11.676 2.610 267 H TYR 30 HN TYR 30 -28.021 7.179 6.033 268 HA TYR 30 HA TYR 30 -30.606 8.040 6.668 269 1HB TYR 30 HB1 TYR 30 -31.254 7.018 4.445 270 2HB TYR 30 HB2 TYR 30 -29.714 6.165 4.418 271 HD1 TYR 30 HD1 TYR 30 -31.019 9.649 4.915 272 HD2 TYR 30 HD2 TYR 30 -27.932 7.210 3.301 273 HE1 TYR 30 HE1 TYR 30 -29.928 11.638 3.991 274 HE2 TYR 30 HE2 TYR 30 -26.838 9.202 2.385 275 HH TYR 30 HH TYR 30 -27.154 11.402 1.864 276 H HIS 31 HN HIS 31 -31.340 6.978 8.537 277 HA HIS 31 HA HIS 31 -31.903 4.060 8.328 278 1HB HIS 31 HB1 HIS 31 -32.742 4.600 10.796 279 2HB HIS 31 HB2 HIS 31 -31.865 6.109 10.570 280 HD1 HIS 31 HD1 HIS 31 -31.176 2.470 10.423 281 HD2 HIS 31 HD2 HIS 31 -29.160 5.943 10.998 282 HE1 HIS 31 HE1 HIS 31 -28.924 1.792 11.028 283 H CYS 32 HN CYS 32 -33.967 3.235 8.198 284 HA CYS 32 HA CYS 32 -36.077 4.948 7.286 285 1HB CYS 32 HB1 CYS 32 -35.898 2.078 8.238 286 2HB CYS 32 HB2 CYS 32 -36.240 2.668 6.634 287 H THR 33 HN THR 33 -38.159 5.278 8.351 288 HA THR 33 HA THR 33 -37.736 6.003 11.178 289 HB THR 33 HB THR 33 -40.099 6.447 9.253 290 HG1 THR 33 HG1 THR 33 -38.545 8.449 10.379 291 1HG2 THR 33 HG21 THR 33 -41.140 6.784 11.371 292 2HG2 THR 33 HG22 THR 33 -40.357 8.348 11.176 293 3HG2 THR 33 HG23 THR 33 -39.605 7.107 12.173 294 OH TYR 34 OH TYR 34 -44.509 6.018 9.900 295 H TYR 34 HN TYR 34 -38.185 3.186 10.017 296 HA TYR 34 HA TYR 34 -40.001 2.341 12.195 297 1HB TYR 34 HB1 TYR 34 -41.268 0.862 10.600 298 2HB TYR 34 HB2 TYR 34 -40.360 1.551 9.259 299 HD1 TYR 34 HD2 TYR 34 -40.630 4.000 8.722 300 HD2 TYR 34 HD1 TYR 34 -43.109 2.054 11.580 301 HE1 TYR 34 HE2 TYR 34 -42.251 5.833 8.566 302 HE2 TYR 34 HE1 TYR 34 -44.727 3.889 11.422 303 HH TYR 34 HH TYR 34 -44.080 6.756 9.460 304 H CYS 35 HN CYS 35 -38.422 0.951 9.335 305 HA CYS 35 HA CYS 35 -37.647 -1.451 10.750 306 1HB CYS 35 HB1 CYS 35 -36.545 -2.044 8.695 307 2HB CYS 35 HB2 CYS 35 -36.393 -0.381 8.208 308 H ASN 36 HN ASN 36 -35.348 -2.170 10.750 309 HA ASN 36 HA ASN 36 -33.689 -0.007 11.929 310 1HB ASN 36 HB1 ASN 36 -32.948 -2.952 11.887 311 2HB ASN 36 HB2 ASN 36 -34.199 -2.397 12.996 312 1HD2 ASN 36 HD21 ASN 36 -31.057 -3.144 13.080 313 2HD2 ASN 36 HD22 ASN 36 -30.472 -1.986 14.174 314 H PHE 37 HN PHE 37 -34.229 -0.978 8.995 315 HA PHE 37 HA PHE 37 -31.494 -1.578 8.102 316 1HB PHE 37 HB1 PHE 37 -33.755 -0.824 6.240 317 2HB PHE 37 HB2 PHE 37 -33.853 -2.359 7.101 318 HD1 PHE 37 HD2 PHE 37 -31.865 -3.976 6.896 319 HD2 PHE 37 HD1 PHE 37 -32.353 -0.604 4.341 320 HE1 PHE 37 HE2 PHE 37 -30.317 -4.978 5.273 321 HE2 PHE 37 HE1 PHE 37 -30.803 -1.610 2.723 322 HZ PHE 37 HZ PHE 37 -29.785 -3.796 3.187 323 H SER 38 HN SER 38 -30.396 -0.246 6.532 324 HA SER 38 HA SER 38 -31.314 2.561 6.403 325 1HB SER 38 HB1 SER 38 -28.532 1.765 7.402 326 2HB SER 38 HB2 SER 38 -29.840 2.367 8.434 327 HG SER 38 HG1 SER 38 -29.065 4.244 7.830 328 H PHE 39 HN PHE 39 -29.742 3.865 5.050 329 HA PHE 39 HA PHE 39 -28.535 2.182 2.909 330 1HB PHE 39 HB1 PHE 39 -29.714 3.446 1.233 331 2HB PHE 39 HB2 PHE 39 -30.175 4.689 2.397 332 HD1 PHE 39 HD2 PHE 39 -31.847 4.149 4.191 333 HD2 PHE 39 HD1 PHE 39 -31.008 1.408 1.036 334 HE1 PHE 39 HE2 PHE 39 -33.865 2.871 4.758 335 HE2 PHE 39 HE1 PHE 39 -33.039 0.147 1.599 336 HZ PHE 39 HZ PHE 39 -34.466 0.877 3.462 337 H LYS 40 HN LYS 40 -26.987 3.325 1.601 338 HA LYS 40 HA LYS 40 -25.429 5.226 3.211 339 1HB LYS 40 HB1 LYS 40 -24.982 3.868 0.510 340 2HB LYS 40 HB2 LYS 40 -24.271 3.408 2.041 341 1HG LYS 40 HG1 LYS 40 -23.727 5.988 0.530 342 2HG LYS 40 HG2 LYS 40 -22.619 4.641 0.727 343 1HD LYS 40 HD1 LYS 40 -23.002 5.014 3.282 344 2HD LYS 40 HD2 LYS 40 -23.563 6.607 2.801 345 1HE LYS 40 HE1 LYS 40 -20.838 5.373 2.345 346 2HE LYS 40 HE2 LYS 40 -21.221 6.857 3.207 347 1HZ LYS 40 HZ1 LYS 40 -21.134 8.007 1.338 348 2HZ LYS 40 HZ2 LYS 40 -22.183 6.939 0.536 349 3HZ LYS 40 HZ3 LYS 40 -20.515 6.624 0.571 350 H THR 41 HN THR 41 -27.733 5.348 0.702 351 HA THR 41 HA THR 41 -27.063 8.230 0.266 352 HB THR 41 HB THR 41 -27.447 7.984 -2.114 353 HG1 THR 41 HG1 THR 41 -28.450 5.416 -1.403 354 1HG2 THR 41 HG21 THR 41 -25.380 6.595 -1.162 355 2HG2 THR 41 HG22 THR 41 -25.939 6.199 -2.785 356 3HG2 THR 41 HG23 THR 41 -26.409 5.189 -1.420 357 H LYS 42 HN LYS 42 -28.817 9.563 -0.322 358 HA LYS 42 HA LYS 42 -31.204 8.954 1.144 359 1HB LYS 42 HB1 LYS 42 -30.824 11.165 -0.916 360 2HB LYS 42 HB2 LYS 42 -30.164 11.274 0.709 361 1HG LYS 42 HG1 LYS 42 -33.005 10.484 0.629 362 2HG LYS 42 HG2 LYS 42 -32.699 12.091 -0.016 363 1HD LYS 42 HD1 LYS 42 -31.450 12.669 2.057 364 2HD LYS 42 HD2 LYS 42 -31.801 11.068 2.701 365 1HE LYS 42 HE1 LYS 42 -33.472 12.534 3.609 366 2HE LYS 42 HE2 LYS 42 -34.272 11.608 2.347 367 1HZ LYS 42 HZ1 LYS 42 -33.028 14.157 1.629 368 2HZ LYS 42 HZ2 LYS 42 -34.502 14.186 2.473 369 3HZ LYS 42 HZ3 LYS 42 -34.398 13.395 0.973 370 H GLY 43 HN GLY 43 -30.169 8.489 -2.097 371 1HA GLY 43 HA1 GLY 43 -31.258 7.482 -3.920 372 2HA GLY 43 HA2 GLY 43 -32.628 8.507 -3.497 373 H ASN 44 HN ASN 44 -31.011 5.491 -2.558 374 HA ASN 44 HA ASN 44 -33.180 3.790 -2.749 375 1HB ASN 44 HB1 ASN 44 -32.007 2.566 -0.729 376 2HB ASN 44 HB2 ASN 44 -30.814 3.857 -0.844 377 1HD2 ASN 44 HD21 ASN 44 -31.713 3.761 -3.924 378 2HD2 ASN 44 HD22 ASN 44 -30.702 2.543 -4.537 379 H LEU 45 HN LEU 45 -32.255 5.684 0.112 380 HA LEU 45 HA LEU 45 -34.241 4.795 1.868 381 1HB LEU 45 HB1 LEU 45 -33.082 7.607 1.477 382 2HB LEU 45 HB2 LEU 45 -32.450 6.369 2.540 383 HG LEU 45 HG LEU 45 -33.649 7.830 3.983 384 1HD1 LEU 45 HD11 LEU 45 -35.092 8.617 1.761 385 2HD1 LEU 45 HD12 LEU 45 -35.457 9.093 3.411 386 3HD1 LEU 45 HD13 LEU 45 -36.305 7.742 2.678 387 1HD2 LEU 45 HD21 LEU 45 -34.167 5.331 4.172 388 2HD2 LEU 45 HD22 LEU 45 -35.708 5.680 3.401 389 3HD2 LEU 45 HD23 LEU 45 -35.312 6.420 4.947 390 H THR 46 HN THR 46 -34.434 7.479 -0.456 391 HA THR 46 HA THR 46 -37.109 8.233 0.080 392 HB THR 46 HB THR 46 -35.642 8.251 -2.630 393 HG1 THR 46 HG1 THR 46 -35.025 9.309 -0.350 394 1HG2 THR 46 HG21 THR 46 -37.978 9.837 -1.423 395 2HG2 THR 46 HG22 THR 46 -37.995 8.930 -2.933 396 3HG2 THR 46 HG23 THR 46 -37.065 10.420 -2.811 397 H LYS 47 HN LYS 47 -35.804 5.643 -1.901 398 HA LYS 47 HA LYS 47 -38.349 4.982 -3.125 399 1HB LYS 47 HB1 LYS 47 -35.958 3.128 -2.722 400 2HB LYS 47 HB2 LYS 47 -35.990 4.366 -3.973 401 1HG LYS 47 HG1 LYS 47 -37.833 3.344 -5.087 402 2HG LYS 47 HG2 LYS 47 -38.219 2.340 -3.696 403 1HD LYS 47 HD1 LYS 47 -37.090 0.973 -5.386 404 2HD LYS 47 HD2 LYS 47 -36.042 1.149 -3.984 405 1HE LYS 47 HE1 LYS 47 -34.935 1.509 -6.269 406 2HE LYS 47 HE2 LYS 47 -34.681 2.781 -5.082 407 1HZ LYS 47 HZ1 LYS 47 -35.505 3.241 -7.549 408 2HZ LYS 47 HZ2 LYS 47 -35.920 4.237 -6.237 409 3HZ LYS 47 HZ3 LYS 47 -37.014 3.062 -6.789 410 H HIS 48 HN HIS 48 -36.507 3.687 -0.378 411 HA HIS 48 HA HIS 48 -38.323 1.555 0.206 412 1HB HIS 48 HB1 HIS 48 -36.451 3.153 2.025 413 2HB HIS 48 HB2 HIS 48 -36.067 1.641 1.209 414 HD1 HIS 48 HD1 HIS 48 -37.497 -0.419 2.093 415 HD2 HIS 48 HD2 HIS 48 -37.756 2.892 4.477 416 HE1 HIS 48 HE1 HIS 48 -38.410 -1.218 4.218 417 H MET 49 HN MET 49 -38.502 4.950 0.727 418 HA MET 49 HA MET 49 -40.677 4.627 2.724 419 1HB MET 49 HB1 MET 49 -40.545 7.226 2.638 420 2HB MET 49 HB2 MET 49 -39.117 7.008 1.632 421 1HG MET 49 HG1 MET 49 -38.448 7.254 3.954 422 2HG MET 49 HG2 MET 49 -38.076 5.649 3.386 423 1HE MET 49 HE1 MET 49 -39.154 7.677 6.164 424 2HE MET 49 HE2 MET 49 -40.616 6.971 6.852 425 3HE MET 49 HE3 MET 49 -40.684 7.795 5.294 426 H LYS 50 HN LYS 50 -40.097 5.932 -0.515 427 HA LYS 50 HA LYS 50 -42.643 7.029 -1.011 428 1HB LYS 50 HB1 LYS 50 -40.943 5.452 -3.004 429 2HB LYS 50 HB2 LYS 50 -40.600 7.112 -2.537 430 1HG LYS 50 HG1 LYS 50 -42.800 7.830 -3.369 431 2HG LYS 50 HG2 LYS 50 -43.215 6.167 -3.763 432 1HD LYS 50 HD1 LYS 50 -42.450 7.336 -5.786 433 2HD LYS 50 HD2 LYS 50 -41.303 6.075 -5.350 434 1HE LYS 50 HE1 LYS 50 -39.683 7.589 -4.670 435 2HE LYS 50 HE2 LYS 50 -40.863 8.811 -4.214 436 1HZ LYS 50 HZ1 LYS 50 -40.810 9.707 -6.226 437 2HZ LYS 50 HZ2 LYS 50 -40.900 8.205 -7.013 438 3HZ LYS 50 HZ3 LYS 50 -39.399 8.800 -6.488 439 H SER 51 HN SER 51 -41.527 3.689 -1.474 440 HA SER 51 HA SER 51 -43.817 2.592 -2.646 441 1HB SER 51 HB1 SER 51 -42.349 1.154 -0.393 442 2HB SER 51 HB2 SER 51 -41.554 1.443 -1.953 443 HG SER 51 HG1 SER 51 -44.121 0.646 -2.267 444 H LYS 52 HN LYS 52 -45.507 1.252 -1.638 445 HA LYS 52 HA LYS 52 -46.862 2.780 0.433 446 1HB LYS 52 HB1 LYS 52 -47.539 0.051 -0.777 447 2HB LYS 52 HB2 LYS 52 -48.062 1.594 -1.441 448 1HG LYS 52 HG1 LYS 52 -48.807 1.761 1.236 449 2HG LYS 52 HG2 LYS 52 -49.148 0.085 0.822 450 1HD LYS 52 HD1 LYS 52 -50.402 0.871 -1.191 451 2HD LYS 52 HD2 LYS 52 -50.118 2.535 -0.691 452 1HE LYS 52 HE1 LYS 52 -52.103 0.635 0.284 453 2HE LYS 52 HE2 LYS 52 -52.015 2.373 0.535 454 1HZ LYS 52 HZ1 LYS 52 -51.858 1.236 2.622 455 2HZ LYS 52 HZ2 LYS 52 -50.367 1.975 2.281 456 3HZ LYS 52 HZ3 LYS 52 -50.553 0.300 2.070 457 H ALA 53 HN ALA 53 -44.293 1.417 1.089 458 HA ALA 53 HA ALA 53 -44.702 -0.858 2.726 459 1HB ALA 53 HB1 ALA 53 -42.718 1.455 2.981 460 2HB ALA 53 HB2 ALA 53 -42.441 -0.076 2.155 461 3HB ALA 53 HB3 ALA 53 -42.598 -0.037 3.908 462 H HIS 54 HN HIS 54 -43.527 1.779 4.588 463 HA HIS 54 HA HIS 54 -46.103 2.023 6.037 464 1HB HIS 54 HB1 HIS 54 -45.161 0.406 7.444 465 2HB HIS 54 HB2 HIS 54 -44.494 1.859 8.178 466 HD1 HIS 54 HD1 HIS 54 -43.456 -1.203 6.667 467 HD2 HIS 54 HD2 HIS 54 -41.723 2.465 7.194 468 HE1 HIS 54 HE1 HIS 54 -41.046 -1.575 6.430 469 H SER 55 HN SER 55 -46.115 4.129 5.166 470 HA SER 55 HA SER 55 -44.689 6.039 6.876 471 1HB SER 55 HB1 SER 55 -44.399 6.454 3.877 472 2HB SER 55 HB2 SER 55 -43.239 5.418 4.731 473 HG SER 55 HG1 SER 55 -42.722 7.081 6.065 474 H LYS 56 HN LYS 56 -47.443 5.269 6.331 475 HA LYS 56 HA LYS 56 -48.752 7.180 4.658 476 1HB LYS 56 HB1 LYS 56 -50.761 6.612 6.155 477 2HB LYS 56 HB2 LYS 56 -49.668 5.632 7.124 478 1HG LYS 56 HG1 LYS 56 -49.096 4.288 5.129 479 2HG LYS 56 HG2 LYS 56 -50.177 5.275 4.150 480 1HD LYS 56 HD1 LYS 56 -51.963 4.062 4.814 481 2HD LYS 56 HD2 LYS 56 -51.570 4.339 6.507 482 1HE LYS 56 HE1 LYS 56 -50.008 2.468 6.502 483 2HE LYS 56 HE2 LYS 56 -50.226 2.244 4.770 484 1HZ LYS 56 HZ1 LYS 56 -52.732 2.212 6.058 485 2HZ LYS 56 HZ2 LYS 56 -51.693 1.106 6.821 486 3HZ LYS 56 HZ3 LYS 56 -51.980 0.988 5.152 487 H LYS 57 HN LYS 57 -49.452 7.211 8.092 488 HA LYS 57 HA LYS 57 -49.919 9.976 8.217 489 1HB LYS 57 HB1 LYS 57 -49.801 9.703 10.665 490 2HB LYS 57 HB2 LYS 57 -48.846 8.238 10.490 491 1HG LYS 57 HG1 LYS 57 -51.146 7.590 10.950 492 2HG LYS 57 HG2 LYS 57 -50.782 7.174 9.284 493 1HD LYS 57 HD1 LYS 57 -51.821 9.909 9.547 494 2HD LYS 57 HD2 LYS 57 -52.949 8.698 10.139 495 1HE LYS 57 HE1 LYS 57 -51.558 8.489 7.453 496 2HE LYS 57 HE2 LYS 57 -53.147 9.213 7.659 497 1HZ LYS 57 HZ1 LYS 57 -53.452 6.962 7.060 498 2HZ LYS 57 HZ2 LYS 57 -53.847 7.086 8.707 499 3HZ LYS 57 LYS 57 -52.356 6.418 8.238 Start of MODEL 16 Raw file had 499 H/Q atoms Start of MODEL 16 1 1H LYS 1 HT1 LYS 1 -10.209 -5.570 -10.350 2 2H LYS 1 HT2 LYS 1 -9.059 -5.391 -9.113 3 3H LYS 1 HT3 LYS 1 -8.558 -5.471 -10.733 4 HA LYS 1 HA LYS 1 -8.460 -3.213 -9.920 5 1HB LYS 1 HB1 LYS 1 -9.797 -2.190 -11.724 6 2HB LYS 1 HB2 LYS 1 -10.790 -3.635 -11.857 7 1HG LYS 1 HG1 LYS 1 -7.837 -4.010 -12.102 8 2HG LYS 1 HG2 LYS 1 -8.638 -3.199 -13.441 9 1HD LYS 1 HD1 LYS 1 -9.869 -5.712 -12.347 10 2HD LYS 1 HD2 LYS 1 -8.458 -5.849 -13.386 11 1HE LYS 1 HE1 LYS 1 -9.571 -4.640 -15.168 12 2HE LYS 1 HE2 LYS 1 -10.928 -4.250 -14.119 13 1HZ LYS 1 HZ1 LYS 1 -11.694 -6.036 -15.319 14 2HZ LYS 1 HZ2 LYS 1 -11.136 -6.786 -13.899 15 3HZ LYS 1 HZ3 LYS 1 -10.197 -6.836 -15.313 16 OH TYR 2 OH TYR 2 -7.780 2.684 -8.874 17 H TYR 2 HN TYR 2 -11.255 -1.986 -10.674 18 HA TYR 2 HA TYR 2 -12.106 -1.813 -7.831 19 1HB TYR 2 HB1 TYR 2 -13.359 0.176 -8.579 20 2HB TYR 2 HB2 TYR 2 -13.005 -0.198 -10.260 21 HD1 TYR 2 HD2 TYR 2 -11.328 0.576 -7.013 22 HD2 TYR 2 HD1 TYR 2 -11.030 0.623 -11.255 23 HE1 TYR 2 HE2 TYR 2 -9.241 1.854 -6.852 24 HE2 TYR 2 HE1 TYR 2 -8.946 1.900 -11.096 25 HH TYR 2 HH TYR 2 -7.062 2.065 -8.720 26 H ILE 3 HN ILE 3 -12.817 -4.196 -8.648 27 HA ILE 3 HA ILE 3 -15.718 -3.963 -9.356 28 HB ILE 3 HB ILE 3 -13.935 -6.401 -9.765 29 1HG1 ILE 3 HG11 ILE 3 -12.975 -4.590 -11.079 30 2HG1 ILE 3 HG12 ILE 3 -14.561 -4.135 -11.691 31 1HG2 ILE 3 HG21 ILE 3 -15.766 -7.218 -11.055 32 2HG2 ILE 3 HG22 ILE 3 -16.411 -5.605 -11.338 33 3HG2 ILE 3 HG23 ILE 3 -16.595 -6.361 -9.758 34 1HD1 ILE 3 HD1 ILE 3 -13.518 -6.939 -12.090 35 2HD1 ILE 3 HD2 ILE 3 -13.043 -5.646 -13.188 36 3HD1 ILE 3 HD3 ILE 3 -14.742 -6.078 -13.019 37 H CYS 4 HN CYS 4 -16.668 -4.003 -7.340 38 HA CYS 4 HA CYS 4 -15.708 -5.398 -5.100 39 1HB CYS 4 HB1 CYS 4 -18.545 -4.762 -5.942 40 2HB CYS 4 HB2 CYS 4 -17.560 -3.884 -4.809 41 H GLU 5 HN GLU 5 -15.197 -7.432 -4.979 42 HA GLU 5 HA GLU 5 -16.082 -9.472 -6.727 43 1HB GLU 5 HB1 GLU 5 -15.134 -11.017 -4.924 44 2HB GLU 5 HB2 GLU 5 -14.899 -9.591 -3.919 45 1HG GLU 5 HG1 GLU 5 -13.437 -8.596 -5.626 46 2HG GLU 5 HG2 GLU 5 -13.718 -9.971 -6.692 47 H GLU 6 HN GLU 6 -17.669 -8.069 -4.044 48 HA GLU 6 HA GLU 6 -19.303 -10.428 -3.536 49 1HB GLU 6 HB1 GLU 6 -19.937 -7.677 -2.470 50 2HB GLU 6 HB2 GLU 6 -18.514 -8.512 -1.866 51 1HG GLU 6 HG1 GLU 6 -21.224 -9.854 -1.960 52 2HG GLU 6 HG2 GLU 6 -20.702 -8.908 -0.569 53 H CYS 7 HN CYS 7 -20.196 -7.058 -4.265 54 HA CYS 7 HA CYS 7 -22.723 -7.962 -5.414 55 1HB CYS 7 HB1 CYS 7 -23.207 -5.641 -5.687 56 2HB CYS 7 HB2 CYS 7 -21.526 -5.203 -5.732 57 H GLY 8 HN GLY 8 -19.821 -6.335 -6.638 58 1HA GLY 8 HA1 GLY 8 -20.459 -7.428 -9.347 59 2HA GLY 8 HA2 GLY 8 -18.826 -7.123 -8.765 60 H ILE 9 HN ILE 9 -20.047 -4.575 -7.496 61 HA ILE 9 HA ILE 9 -20.914 -2.904 -9.610 62 HB ILE 9 HB ILE 9 -20.940 -2.495 -7.026 63 1HG1 ILE 9 HG11 ILE 9 -20.492 -0.535 -9.232 64 2HG1 ILE 9 HG12 ILE 9 -20.439 0.080 -7.584 65 1HG2 ILE 9 HG21 ILE 9 -19.024 -1.360 -6.095 66 2HG2 ILE 9 HG22 ILE 9 -18.304 -1.090 -7.674 67 3HG2 ILE 9 HG23 ILE 9 -18.331 -2.706 -6.977 68 1HD1 ILE 9 HD1 ILE 9 -22.749 -0.020 -8.812 69 2HD1 ILE 9 HD2 ILE 9 -22.661 -0.562 -7.139 70 3HD1 ILE 9 HD3 ILE 9 -22.681 -1.741 -8.446 71 NH1 ARG 10 NH1 ARG 10 -18.981 -1.146 -17.104 72 NH2 ARG 10 NH2 ARG 10 -17.165 -2.240 -17.956 73 H ARG 10 HN ARG 10 -19.878 -2.059 -11.270 74 HA ARG 10 HA ARG 10 -16.906 -2.244 -11.321 75 1HB ARG 10 HB1 ARG 10 -18.904 -1.685 -13.568 76 2HB ARG 10 HB2 ARG 10 -18.282 -3.282 -13.173 77 1HG ARG 10 HG1 ARG 10 -15.929 -2.054 -13.423 78 2HG ARG 10 HG2 ARG 10 -16.866 -0.948 -14.420 79 1HD ARG 10 HD1 ARG 10 -16.691 -3.959 -14.787 80 2HD ARG 10 HD2 ARG 10 -15.930 -2.748 -15.815 81 HE ARG 10 HE ARG 10 -18.833 -3.343 -15.706 82 1HH1 ARG 10 HH11 ARG 10 -19.651 -1.043 -16.369 83 2HH1 ARG 10 HH12 ARG 10 -19.017 -0.544 -17.901 84 1HH2 ARG 10 HH21 ARG 10 -16.474 -2.956 -17.861 85 2HH2 ARG 10 HH22 ARG 10 -17.172 -1.655 -18.768 86 H ABA 11 HN ABU 11 -16.389 -0.371 -10.145 87 HA ABA 11 HA ABU 11 -17.386 2.215 -11.254 88 1HB ABA 11 HB1 ABU 11 -15.935 3.021 -9.175 89 2HB ABA 11 HB2 ABU 11 -16.079 1.349 -8.678 90 1HG ABA 11 HG1 ABU 11 -18.336 3.294 -9.225 91 2HG ABA 11 HG2 ABU 11 -17.943 2.517 -7.693 92 3HG ABA 11 HG3 ABU 11 -18.590 1.562 -9.022 93 H LYS 12 HN LYS 12 -16.219 3.006 -12.841 94 HA LYS 12 HA LYS 12 -13.512 2.269 -13.357 95 1HB LYS 12 HB1 LYS 12 -13.650 3.927 -15.153 96 2HB LYS 12 HB2 LYS 12 -15.012 4.721 -14.371 97 1HG LYS 12 HG1 LYS 12 -16.413 2.753 -14.697 98 2HG LYS 12 HG2 LYS 12 -15.047 1.839 -15.325 99 1HD LYS 12 HD1 LYS 12 -14.849 3.541 -17.174 100 2HD LYS 12 HD2 LYS 12 -16.335 4.279 -16.589 101 1HE LYS 12 HE1 LYS 12 -15.964 1.491 -17.711 102 2HE LYS 12 HE2 LYS 12 -17.002 2.771 -18.327 103 1HZ LYS 12 HZ1 LYS 12 -18.075 2.579 -15.987 104 2HZ LYS 12 HZ2 LYS 12 -17.385 1.027 -16.003 105 3HZ LYS 12 HZ3 LYS 12 -18.490 1.477 -17.212 106 H LYS 13 HN LYS 13 -14.448 3.869 -10.787 107 HA LYS 13 HA LYS 13 -11.975 5.481 -10.736 108 1HB LYS 13 HB1 LYS 13 -13.479 7.284 -9.513 109 2HB LYS 13 HB2 LYS 13 -14.802 6.463 -10.339 110 1HG LYS 13 HG1 LYS 13 -13.673 6.811 -12.509 111 2HG LYS 13 HG2 LYS 13 -12.333 7.608 -11.692 112 1HD LYS 13 HD1 LYS 13 -13.591 9.501 -11.180 113 2HD LYS 13 HD2 LYS 13 -15.115 8.622 -11.212 114 1HE LYS 13 HE1 LYS 13 -13.458 8.987 -13.714 115 2HE LYS 13 HE2 LYS 13 -14.617 10.206 -13.199 116 1HZ LYS 13 HZ1 LYS 13 -15.606 8.670 -14.756 117 2HZ LYS 13 HZ2 LYS 13 -16.350 8.529 -13.235 118 3HZ LYS 13 HZ3 LYS 13 -15.231 7.357 -13.745 119 HA PRO 14 HA PRO 14 -11.724 3.564 -6.686 120 1HB PRO 14 HB1 PRO 14 -9.536 4.095 -6.207 121 2HB PRO 14 HB2 PRO 14 -10.084 5.635 -5.544 122 1HG PRO 14 HG1 PRO 14 -8.557 5.260 -7.922 123 2HG PRO 14 HG2 PRO 14 -9.283 6.769 -7.367 124 1HD PRO 14 HD1 PRO 14 -10.720 6.659 -9.146 125 2HD PRO 14 HD2 PRO 14 -10.111 5.044 -9.566 126 H SER 15 HN SER 15 -12.049 7.127 -6.692 127 HA SER 15 HA SER 15 -13.029 7.535 -4.133 128 1HB SER 15 HB1 SER 15 -12.806 9.191 -6.216 129 2HB SER 15 HB2 SER 15 -14.046 9.542 -4.996 130 HG SER 15 HG1 SER 15 -14.393 8.934 -7.557 131 H MET 16 HN MET 16 -14.925 6.445 -6.939 132 HA MET 16 HA MET 16 -17.386 6.226 -5.439 133 1HB MET 16 HB1 MET 16 -18.103 4.845 -7.462 134 2HB MET 16 HB2 MET 16 -16.458 4.969 -8.061 135 1HG MET 16 HG1 MET 16 -16.607 7.261 -8.429 136 2HG MET 16 HG2 MET 16 -17.917 7.467 -7.301 137 1HE MET 16 HE1 MET 16 -20.995 6.948 -8.731 138 2HE MET 16 HE2 MET 16 -19.941 6.305 -7.472 139 3HE MET 16 HE3 MET 16 -20.408 5.290 -8.835 140 H LEU 17 HN LEU 17 -15.095 3.726 -6.630 141 HA LEU 17 HA LEU 17 -16.424 1.555 -5.392 142 1HB LEU 17 HB1 LEU 17 -13.394 1.802 -5.641 143 2HB LEU 17 HB2 LEU 17 -14.401 1.558 -7.050 144 HG LEU 17 HG LEU 17 -13.383 -0.574 -6.081 145 1HD1 LEU 17 HD11 LEU 17 -13.774 0.141 -3.670 146 2HD1 LEU 17 HD12 LEU 17 -14.206 -1.515 -4.063 147 3HD1 LEU 17 HD13 LEU 17 -15.463 -0.300 -3.912 148 1HD2 LEU 17 HD21 LEU 17 -16.413 -0.641 -6.009 149 2HD2 LEU 17 HD22 LEU 17 -15.314 -1.937 -6.455 150 3HD2 LEU 17 HD23 LEU 17 -15.492 -0.539 -7.499 151 H LYS 18 HN LYS 18 -13.629 3.398 -4.274 152 HA LYS 18 HA LYS 18 -13.114 2.436 -1.803 153 1HB LYS 18 HB1 LYS 18 -12.995 4.975 -1.061 154 2HB LYS 18 HB2 LYS 18 -13.428 5.312 -2.732 155 1HG LYS 18 HG1 LYS 18 -11.483 4.009 -3.513 156 2HG LYS 18 HG2 LYS 18 -11.061 3.627 -1.849 157 1HD LYS 18 HD1 LYS 18 -11.225 6.343 -1.684 158 2HD LYS 18 HD2 LYS 18 -10.708 6.167 -3.355 159 1HE LYS 18 HE1 LYS 18 -8.657 6.211 -2.220 160 2HE LYS 18 HE2 LYS 18 -8.950 4.482 -2.358 161 1HZ LYS 18 HZ1 LYS 18 -9.010 6.198 -0.015 162 2HZ LYS 18 HZ2 LYS 18 -8.552 4.569 -0.164 163 3HZ LYS 18 HZ3 LYS 18 -10.196 4.985 -0.081 164 H LYS 19 HN LYS 19 -15.747 4.755 -2.430 165 HA LYS 19 HA LYS 19 -16.793 4.602 0.221 166 1HB LYS 19 HB1 LYS 19 -18.886 5.564 -0.927 167 2HB LYS 19 HB2 LYS 19 -18.023 5.404 -2.452 168 1HG LYS 19 HG1 LYS 19 -16.276 6.908 -1.691 169 2HG LYS 19 HG2 LYS 19 -16.952 6.945 -0.068 170 1HD LYS 19 HD1 LYS 19 -18.938 8.090 -0.845 171 2HD LYS 19 HD2 LYS 19 -18.472 7.863 -2.526 172 1HE LYS 19 HE1 LYS 19 -16.946 9.505 -0.477 173 2HE LYS 19 HE2 LYS 19 -17.943 10.157 -1.772 174 1HZ LYS 19 HZ1 LYS 19 -15.264 9.190 -1.859 175 2HZ LYS 19 HZ2 LYS 19 -16.113 10.130 -2.989 176 3HZ LYS 19 HZ3 LYS 19 -16.240 8.438 -3.028 177 H HIS 20 HN HIS 20 -17.497 2.856 -2.760 178 HA HIS 20 HA HIS 20 -19.821 1.486 -1.863 179 1HB HIS 20 HB1 HIS 20 -17.652 0.543 -3.778 180 2HB HIS 20 HB2 HIS 20 -19.069 1.474 -4.246 181 HD1 HIS 20 HD1 HIS 20 -20.999 -0.007 -4.810 182 HD2 HIS 20 HD2 HIS 20 -18.264 -2.014 -2.563 183 HE1 HIS 20 HE1 HIS 20 -21.839 -2.303 -4.666 184 H ILE 21 HN ILE 21 -16.411 0.393 -1.879 185 HA ILE 21 HA ILE 21 -16.942 -2.083 -0.616 186 HB ILE 21 HB ILE 21 -14.662 -0.962 -1.576 187 1HG1 ILE 21 HG11 ILE 21 -14.837 -3.037 0.640 188 2HG1 ILE 21 HG12 ILE 21 -13.392 -2.747 -0.319 189 1HG2 ILE 21 HG21 ILE 21 -14.217 -0.844 1.443 190 2HG2 ILE 21 HG22 ILE 21 -14.654 0.584 0.525 191 3HG2 ILE 21 HG23 ILE 21 -13.159 -0.249 0.171 192 1HD1 ILE 21 HD1 ILE 21 -15.492 -3.019 -2.194 193 2HD1 ILE 21 HD2 ILE 21 -15.751 -4.289 -1.004 194 3HD1 ILE 21 HD3 ILE 21 -14.216 -4.183 -1.857 195 NH1 ARG 22 NH2 ARG 22 -13.158 6.063 4.532 196 NH2 ARG 22 NH1 ARG 22 -11.754 5.146 2.981 197 H ARG 22 HN ARG 22 -16.696 1.153 0.694 198 HA ARG 22 HA ARG 22 -16.614 0.233 3.478 199 1HB ARG 22 HB1 ARG 22 -17.294 2.766 3.806 200 2HB ARG 22 HB2 ARG 22 -17.016 2.903 2.074 201 1HG ARG 22 HG1 ARG 22 -14.726 2.035 2.357 202 2HG ARG 22 HG2 ARG 22 -14.999 1.841 4.083 203 1HD ARG 22 HD1 ARG 22 -15.475 4.322 4.210 204 2HD ARG 22 HD2 ARG 22 -14.976 4.446 2.524 205 HE ARG 22 HE ARG 22 -12.985 3.127 4.199 206 1HH1 ARG 22 HH21 ARG 22 -13.943 5.962 5.144 207 2HH1 ARG 22 HH22 ARG 22 -12.667 6.934 4.489 208 1HH2 ARG 22 HH11 ARG 22 -11.486 4.356 2.429 209 2HH2 ARG 22 HH12 ARG 22 -11.240 6.001 2.911 210 H THR 23 HN THR 23 -19.017 0.593 1.102 211 HA THR 23 HA THR 23 -21.200 1.174 2.916 212 HB THR 23 HB THR 23 -21.285 -0.170 0.140 213 HG1 THR 23 HG1 THR 23 -20.319 2.100 0.816 214 1HG2 THR 23 HG21 THR 23 -23.473 1.432 0.276 215 2HG2 THR 23 HG22 THR 23 -23.314 1.116 2.000 216 3HG2 THR 23 HG23 THR 23 -23.552 -0.217 0.881 217 H HIS 24 HN HIS 24 -19.292 -1.544 2.439 218 HA HIS 24 HA HIS 24 -21.450 -3.470 3.054 219 1HB HIS 24 HB1 HIS 24 -19.309 -5.031 3.169 220 2HB HIS 24 HB2 HIS 24 -18.480 -3.654 2.448 221 HD1 HIS 24 HD1 HIS 24 -21.441 -5.828 1.680 222 HD2 HIS 24 HD2 HIS 24 -18.807 -3.395 -0.271 223 HE1 HIS 24 HE1 HIS 24 -21.928 -6.111 -0.726 224 H THR 25 HN THR 25 -20.103 -1.250 4.852 225 HA THR 25 HA THR 25 -19.463 -3.000 7.173 226 HB THR 25 HB THR 25 -18.668 -0.721 8.124 227 HG1 THR 25 HG1 THR 25 -19.976 -0.084 5.828 228 1HG2 THR 25 HG21 THR 25 -16.894 -0.355 6.214 229 2HG2 THR 25 HG22 THR 25 -17.643 -1.751 5.444 230 3HG2 THR 25 HG23 THR 25 -16.867 -1.922 7.016 231 H ASP 26 HN ASP 26 -20.476 0.188 7.767 232 HA ASP 26 HA ASP 26 -23.296 -0.418 8.157 233 1HB ASP 26 HB1 ASP 26 -23.167 0.027 10.664 234 2HB ASP 26 HB2 ASP 26 -21.411 -0.042 10.540 235 H VAL 27 HN VAL 27 -21.562 1.450 6.820 236 HA VAL 27 HA VAL 27 -22.169 3.996 8.227 237 HB VAL 27 HB VAL 27 -19.868 3.669 7.409 238 1HG1 VAL 27 HG11 VAL 27 -21.100 3.373 4.655 239 2HG1 VAL 27 HG12 VAL 27 -20.431 2.056 5.602 240 3HG1 VAL 27 HG13 VAL 27 -19.383 3.345 5.031 241 1HG2 VAL 27 HG21 VAL 27 -21.482 5.874 6.842 242 2HG2 VAL 27 HG22 VAL 27 -20.638 5.566 5.328 243 3HG2 VAL 27 HG23 VAL 27 -19.722 5.846 6.804 244 NH1 ARG 28 NH2 ARG 28 -25.526 -1.604 1.556 245 NH2 ARG 28 NH1 ARG 28 -24.446 -2.702 3.244 246 H ARG 28 HN ARG 28 -24.397 2.772 7.299 247 HA ARG 28 HA ARG 28 -25.143 4.278 4.829 248 1HB ARG 28 HB1 ARG 28 -27.054 2.531 4.853 249 2HB ARG 28 HB2 ARG 28 -26.119 1.710 6.099 250 1HG ARG 28 HG1 ARG 28 -24.166 1.671 4.517 251 2HG ARG 28 HG2 ARG 28 -25.210 2.348 3.273 252 1HD ARG 28 HD1 ARG 28 -26.510 0.400 3.127 253 2HD ARG 28 HD2 ARG 28 -26.057 -0.152 4.734 254 HE ARG 28 HE ARG 28 -23.675 -0.131 3.296 255 1HH1 ARG 28 HH21 ARG 28 -25.828 -0.740 1.153 256 2HH1 ARG 28 HH22 ARG 28 -25.735 -2.469 1.101 257 1HH2 ARG 28 HH11 ARG 28 -23.938 -2.660 4.105 258 2HH2 ARG 28 HH12 ARG 28 -24.636 -3.586 2.818 259 HA PRO 29 HA PRO 29 -27.448 6.293 8.330 260 1HB PRO 29 HB1 PRO 29 -26.798 8.486 8.129 261 2HB PRO 29 HB2 PRO 29 -27.687 8.641 6.613 262 1HG PRO 29 HG1 PRO 29 -24.805 8.357 6.998 263 2HG PRO 29 HG2 PRO 29 -25.681 8.673 5.499 264 1HD PRO 29 HD1 PRO 29 -25.441 6.506 4.843 265 2HD PRO 29 HD2 PRO 29 -24.414 6.228 6.259 266 OH TYR 30 OH TYR 30 -27.879 11.089 1.900 267 H TYR 30 HN TYR 30 -28.136 5.927 4.929 268 HA TYR 30 HA TYR 30 -30.937 6.754 5.216 269 1HB TYR 30 HB1 TYR 30 -31.114 5.968 2.840 270 2HB TYR 30 HB2 TYR 30 -29.507 5.267 2.951 271 HD1 TYR 30 HD1 TYR 30 -31.253 8.536 3.513 272 HD2 TYR 30 HD2 TYR 30 -27.682 6.583 2.273 273 HE1 TYR 30 HE1 TYR 30 -30.277 10.702 2.907 274 HE2 TYR 30 HE2 TYR 30 -26.706 8.749 1.677 275 HH TYR 30 HH TYR 30 -27.164 10.927 1.279 276 H HIS 31 HN HIS 31 -31.695 5.383 6.859 277 HA HIS 31 HA HIS 31 -31.770 2.467 6.242 278 1HB HIS 31 HB1 HIS 31 -32.570 2.292 8.632 279 2HB HIS 31 HB2 HIS 31 -32.472 4.045 8.764 280 HD1 HIS 31 HD1 HIS 31 -30.279 1.126 8.370 281 HD2 HIS 31 HD2 HIS 31 -29.913 5.097 9.104 282 HE1 HIS 31 HE1 HIS 31 -27.951 1.435 8.982 283 H CYS 32 HN CYS 32 -33.670 1.380 5.878 284 HA CYS 32 HA CYS 32 -35.940 2.876 4.980 285 1HB CYS 32 HB1 CYS 32 -35.446 -0.033 5.687 286 2HB CYS 32 HB2 CYS 32 -35.701 0.665 4.109 287 H THR 33 HN THR 33 -38.012 3.087 5.933 288 HA THR 33 HA THR 33 -37.868 3.342 8.857 289 HB THR 33 HB THR 33 -40.382 3.849 7.205 290 HG1 THR 33 HG1 THR 33 -38.779 5.971 7.366 291 1HG2 THR 33 HG21 THR 33 -39.069 5.730 9.182 292 2HG2 THR 33 HG22 THR 33 -39.892 4.318 9.837 293 3HG2 THR 33 HG23 THR 33 -40.787 5.492 8.877 294 OH TYR 34 OH TYR 34 -44.270 3.264 6.132 295 H TYR 34 HN TYR 34 -38.087 0.705 7.269 296 HA TYR 34 HA TYR 34 -40.106 -0.479 9.102 297 1HB TYR 34 HB1 TYR 34 -41.054 -1.831 7.237 298 2HB TYR 34 HB2 TYR 34 -39.950 -1.070 6.102 299 HD1 TYR 34 HD2 TYR 34 -40.132 1.471 5.772 300 HD2 TYR 34 HD1 TYR 34 -43.123 -0.793 7.778 301 HE1 TYR 34 HE2 TYR 34 -41.755 3.265 5.377 302 HE2 TYR 34 HE1 TYR 34 -44.746 1.001 7.375 303 HH TYR 34 HH TYR 34 -44.981 3.167 6.769 304 H CYS 35 HN CYS 35 -38.079 -1.557 6.387 305 HA CYS 35 HA CYS 35 -37.350 -4.030 7.657 306 1HB CYS 35 HB1 CYS 35 -35.781 -4.267 5.820 307 2HB CYS 35 HB2 CYS 35 -35.767 -2.551 5.531 308 H ASN 36 HN ASN 36 -34.739 -4.361 7.373 309 HA ASN 36 HA ASN 36 -33.539 -2.483 9.368 310 1HB ASN 36 HB1 ASN 36 -32.696 -5.372 8.848 311 2HB ASN 36 HB2 ASN 36 -33.965 -4.981 10.007 312 1HD2 ASN 36 HD21 ASN 36 -32.987 -2.679 11.224 313 2HD2 ASN 36 HD22 ASN 36 -31.517 -3.010 12.004 314 H PHE 37 HN PHE 37 -33.619 -3.022 6.244 315 HA PHE 37 HA PHE 37 -30.751 -3.195 5.659 316 1HB PHE 37 HB1 PHE 37 -32.766 -2.349 3.599 317 2HB PHE 37 HB2 PHE 37 -32.955 -3.965 4.275 318 HD1 PHE 37 HD2 PHE 37 -30.831 -5.476 4.299 319 HD2 PHE 37 HD1 PHE 37 -31.186 -1.973 1.908 320 HE1 PHE 37 HE2 PHE 37 -29.033 -6.290 2.836 321 HE2 PHE 37 HE1 PHE 37 -29.387 -2.790 0.446 322 HZ PHE 37 HZ PHE 37 -28.309 -4.948 0.910 323 H SER 38 HN SER 38 -29.677 -1.530 4.375 324 HA SER 38 HA SER 38 -30.886 1.152 4.545 325 1HB SER 38 HB1 SER 38 -28.120 0.641 5.700 326 2HB SER 38 HB2 SER 38 -29.566 0.599 6.708 327 HG SER 38 HG1 SER 38 -28.916 2.711 4.932 328 H PHE 39 HN PHE 39 -29.334 2.801 3.604 329 HA PHE 39 HA PHE 39 -27.650 1.588 1.469 330 1HB PHE 39 HB1 PHE 39 -28.738 2.959 -0.196 331 2HB PHE 39 HB2 PHE 39 -29.569 3.906 1.039 332 HD1 PHE 39 HD2 PHE 39 -31.417 2.893 2.353 333 HD2 PHE 39 HD1 PHE 39 -29.563 0.752 -0.827 334 HE1 PHE 39 HE2 PHE 39 -33.244 1.257 2.386 335 HE2 PHE 39 HE1 PHE 39 -31.411 -0.867 -0.807 336 HZ PHE 39 HZ PHE 39 -33.247 -0.618 0.807 337 H LYS 40 HN LYS 40 -26.081 3.019 0.580 338 HA LYS 40 HA LYS 40 -25.078 4.928 2.581 339 1HB LYS 40 HB1 LYS 40 -23.995 3.806 -0.042 340 2HB LYS 40 HB2 LYS 40 -23.501 3.368 1.574 341 1HG LYS 40 HG1 LYS 40 -23.054 6.080 0.289 342 2HG LYS 40 HG2 LYS 40 -21.832 4.850 0.555 343 1HD LYS 40 HD1 LYS 40 -22.579 4.964 3.049 344 2HD LYS 40 HD2 LYS 40 -23.283 6.513 2.596 345 1HE LYS 40 HE1 LYS 40 -20.991 6.854 3.408 346 2HE LYS 40 HE2 LYS 40 -21.074 7.230 1.693 347 1HZ LYS 40 HZ1 LYS 40 -19.392 5.825 1.468 348 2HZ LYS 40 HZ2 LYS 40 -20.498 4.568 1.758 349 3HZ LYS 40 HZ3 LYS 40 -19.577 5.201 3.038 350 H THR 41 HN THR 41 -26.852 4.985 -0.344 351 HA THR 41 HA THR 41 -26.459 7.949 -0.503 352 HB THR 41 HB THR 41 -26.442 7.816 -2.913 353 HG1 THR 41 HG1 THR 41 -26.987 5.417 -3.554 354 1HG2 THR 41 HG21 THR 41 -24.725 6.194 -3.438 355 2HG2 THR 41 HG22 THR 41 -25.343 5.040 -2.259 356 3HG2 THR 41 HG23 THR 41 -24.464 6.467 -1.719 357 H LYS 42 HN LYS 42 -28.252 9.136 -1.337 358 HA LYS 42 HA LYS 42 -30.747 8.193 -0.260 359 1HB LYS 42 HB1 LYS 42 -30.047 10.631 -1.972 360 2HB LYS 42 HB2 LYS 42 -30.143 10.603 -0.217 361 1HG LYS 42 HG1 LYS 42 -32.449 10.179 -2.154 362 2HG LYS 42 HG2 LYS 42 -32.202 11.566 -1.106 363 1HD LYS 42 HD1 LYS 42 -32.154 9.733 0.804 364 2HD LYS 42 HD2 LYS 42 -33.045 8.781 -0.377 365 1HE LYS 42 HE1 LYS 42 -34.676 9.971 0.946 366 2HE LYS 42 HE2 LYS 42 -34.625 10.749 -0.630 367 1HZ LYS 42 HZ1 LYS 42 -33.013 11.699 1.659 368 2HZ LYS 42 HZ2 LYS 42 -34.589 12.254 1.358 369 3HZ LYS 42 HZ3 LYS 42 -33.364 12.515 0.211 370 H GLY 43 HN GLY 43 -29.189 7.943 -3.280 371 1HA GLY 43 HA1 GLY 43 -29.902 7.077 -5.345 372 2HA GLY 43 HA2 GLY 43 -31.455 7.847 -5.030 373 H ASN 44 HN ASN 44 -29.519 4.999 -4.180 374 HA ASN 44 HA ASN 44 -31.367 3.045 -4.794 375 1HB ASN 44 HB1 ASN 44 -30.269 1.745 -2.817 376 2HB ASN 44 HB2 ASN 44 -29.327 3.206 -2.535 377 1HD2 ASN 44 HD21 ASN 44 -29.567 3.628 -5.642 378 2HD2 ASN 44 HD22 ASN 44 -28.325 2.645 -6.252 379 H LEU 45 HN LEU 45 -31.137 4.833 -1.739 380 HA LEU 45 HA LEU 45 -33.072 3.511 -0.237 381 1HB LEU 45 HB1 LEU 45 -32.499 6.513 -0.496 382 2HB LEU 45 HB2 LEU 45 -31.776 5.410 0.653 383 HG LEU 45 HG LEU 45 -33.418 6.573 1.914 384 1HD1 LEU 45 HD11 LEU 45 -35.812 5.978 0.278 385 2HD1 LEU 45 HD12 LEU 45 -34.694 7.101 -0.477 386 3HD1 LEU 45 HD13 LEU 45 -35.358 7.456 1.110 387 1HD2 LEU 45 HD21 LEU 45 -33.448 4.037 2.091 388 2HD2 LEU 45 HD22 LEU 45 -34.882 4.053 1.076 389 3HD2 LEU 45 HD23 LEU 45 -34.911 4.846 2.641 390 H THR 46 HN THR 46 -33.626 6.158 -2.559 391 HA THR 46 HA THR 46 -36.462 6.180 -2.320 392 HB THR 46 HB THR 46 -34.877 6.776 -4.885 393 HG1 THR 46 HG1 THR 46 -33.916 7.726 -3.061 394 1HG2 THR 46 HG21 THR 46 -37.532 6.983 -4.639 395 2HG2 THR 46 HG22 THR 46 -36.651 8.359 -5.295 396 3HG2 THR 46 HG23 THR 46 -37.153 8.358 -3.607 397 H LYS 47 HN LYS 47 -34.295 4.211 -4.270 398 HA LYS 47 HA LYS 47 -36.317 3.070 -5.953 399 1HB LYS 47 HB1 LYS 47 -33.965 1.391 -5.139 400 2HB LYS 47 HB2 LYS 47 -33.592 2.938 -5.891 401 1HG LYS 47 HG1 LYS 47 -35.066 2.357 -7.802 402 2HG LYS 47 HG2 LYS 47 -35.419 0.805 -7.052 403 1HD LYS 47 HD1 LYS 47 -32.842 0.471 -7.015 404 2HD LYS 47 HD2 LYS 47 -32.795 1.791 -8.175 405 1HE LYS 47 HE1 LYS 47 -34.157 -0.895 -8.465 406 2HE LYS 47 HE2 LYS 47 -32.915 -0.194 -9.495 407 1HZ LYS 47 HZ1 LYS 47 -34.827 1.652 -9.667 408 2HZ LYS 47 HZ2 LYS 47 -35.771 0.254 -9.476 409 3HZ LYS 47 HZ3 LYS 47 -34.658 0.359 -10.753 410 H HIS 48 HN HIS 48 -35.131 2.251 -2.746 411 HA HIS 48 HA HIS 48 -36.497 -0.305 -2.633 412 1HB HIS 48 HB1 HIS 48 -35.453 1.549 -0.432 413 2HB HIS 48 HB2 HIS 48 -34.596 0.177 -1.128 414 HD1 HIS 48 HD1 HIS 48 -36.154 -2.111 -0.830 415 HD2 HIS 48 HD2 HIS 48 -36.787 0.882 1.882 416 HE1 HIS 48 HE1 HIS 48 -37.268 -3.180 1.068 417 H MET 49 HN MET 49 -37.327 2.997 -1.780 418 HA MET 49 HA MET 49 -39.768 2.245 -0.388 419 1HB MET 49 HB1 MET 49 -40.238 4.710 -0.515 420 2HB MET 49 HB2 MET 49 -38.870 4.904 -1.606 421 1HG MET 49 HG1 MET 49 -38.331 5.433 0.772 422 2HG MET 49 HG2 MET 49 -37.322 4.197 0.069 423 1HE MET 49 HE1 MET 49 -40.569 3.805 3.197 424 2HE MET 49 HE2 MET 49 -41.044 3.280 1.580 425 3HE MET 49 HE3 MET 49 -40.454 4.923 1.836 426 H LYS 50 HN LYS 50 -38.961 3.336 -3.656 427 HA LYS 50 HA LYS 50 -41.517 3.805 -4.683 428 1HB LYS 50 HB1 LYS 50 -39.375 2.199 -6.154 429 2HB LYS 50 HB2 LYS 50 -39.241 3.936 -5.904 430 1HG LYS 50 HG1 LYS 50 -41.802 2.885 -7.050 431 2HG LYS 50 HG2 LYS 50 -40.393 2.937 -8.103 432 1HD LYS 50 HD1 LYS 50 -40.085 5.333 -7.593 433 2HD LYS 50 HD2 LYS 50 -41.469 5.288 -6.507 434 1HE LYS 50 HE1 LYS 50 -42.723 4.330 -8.634 435 2HE LYS 50 HE2 LYS 50 -41.409 5.108 -9.508 436 1HZ LYS 50 HZ1 LYS 50 -42.140 7.020 -7.772 437 2HZ LYS 50 HZ2 LYS 50 -43.632 6.278 -8.101 438 3HZ LYS 50 HZ3 LYS 50 -42.696 6.902 -9.373 439 H SER 51 HN SER 51 -39.856 0.694 -4.318 440 HA SER 51 HA SER 51 -41.761 -0.969 -5.537 441 1HB SER 51 HB1 SER 51 -39.432 -1.454 -4.232 442 2HB SER 51 HB2 SER 51 -40.646 -2.736 -4.398 443 HG SER 51 HG1 SER 51 -40.180 -0.989 -2.228 444 H LYS 52 HN LYS 52 -43.641 -1.937 -4.879 445 HA LYS 52 HA LYS 52 -45.212 -0.501 -2.922 446 1HB LYS 52 HB1 LYS 52 -46.258 -1.573 -4.895 447 2HB LYS 52 HB2 LYS 52 -46.920 -2.291 -3.431 448 1HG LYS 52 HG1 LYS 52 -45.389 -4.196 -3.633 449 2HG LYS 52 HG2 LYS 52 -44.623 -3.461 -5.037 450 1HD LYS 52 HD1 LYS 52 -46.936 -3.461 -6.132 451 2HD LYS 52 HD2 LYS 52 -47.464 -4.489 -4.804 452 1HE LYS 52 HE1 LYS 52 -46.816 -6.078 -6.395 453 2HE LYS 52 HE2 LYS 52 -45.350 -5.922 -5.437 454 1HZ LYS 52 HZ1 LYS 52 -45.093 -3.965 -7.288 455 2HZ LYS 52 HZ2 LYS 52 -45.831 -5.214 -8.171 456 3HZ LYS 52 HZ3 LYS 52 -44.364 -5.497 -7.363 457 H ALA 53 HN ALA 53 -42.724 -2.262 -2.209 458 HA ALA 53 HA ALA 53 -43.386 -4.429 -0.614 459 1HB ALA 53 HB1 ALA 53 -41.449 -2.179 0.131 460 2HB ALA 53 HB2 ALA 53 -41.059 -3.527 -0.932 461 3HB ALA 53 HB3 ALA 53 -41.406 -3.819 0.770 462 H HIS 54 HN HIS 54 -42.822 -1.291 0.956 463 HA HIS 54 HA HIS 54 -45.388 -1.521 2.357 464 1HB HIS 54 HB1 HIS 54 -44.245 -2.714 3.991 465 2HB HIS 54 HB2 HIS 54 -43.862 -1.092 4.543 466 HD1 HIS 54 HD1 HIS 54 -42.324 -3.989 2.910 467 HD2 HIS 54 HD2 HIS 54 -41.145 -0.258 4.092 468 HE1 HIS 54 HE1 HIS 54 -39.877 -4.037 2.888 469 H SER 55 HN SER 55 -45.926 0.420 1.430 470 HA SER 55 HA SER 55 -44.584 2.781 2.663 471 1HB SER 55 HB1 SER 55 -43.706 2.894 0.429 472 2HB SER 55 HB2 SER 55 -45.177 3.878 0.286 473 HG SER 55 HG1 SER 55 -45.239 1.072 -0.011 474 H LYS 56 HN LYS 56 -47.211 1.115 2.762 475 HA LYS 56 HA LYS 56 -49.011 3.509 2.812 476 1HB LYS 56 HB1 LYS 56 -50.864 1.875 2.169 477 2HB LYS 56 HB2 LYS 56 -49.628 0.652 1.906 478 1HG LYS 56 HG1 LYS 56 -48.676 1.843 0.085 479 2HG LYS 56 HG2 LYS 56 -49.489 3.339 0.528 480 1HD LYS 56 HD1 LYS 56 -51.204 0.963 -0.072 481 2HD LYS 56 HD2 LYS 56 -50.422 1.763 -1.430 482 1HE LYS 56 HE1 LYS 56 -51.515 3.814 -1.012 483 2HE LYS 56 HE2 LYS 56 -51.895 3.379 0.650 484 1HZ LYS 56 HZ1 LYS 56 -53.394 1.653 -0.239 485 2HZ LYS 56 HZ2 LYS 56 -53.102 2.239 -1.807 486 3HZ LYS 56 HZ3 LYS 56 -53.862 3.231 -0.657 487 H LYS 57 HN LYS 57 -47.974 0.531 4.268 488 HA LYS 57 HA LYS 57 -49.997 0.116 6.161 489 1HB LYS 57 HB1 LYS 57 -47.027 -0.156 6.772 490 2HB LYS 57 HB2 LYS 57 -47.854 -1.275 5.695 491 1HG LYS 57 HG1 LYS 57 -49.121 -2.201 7.401 492 2HG LYS 57 HG2 LYS 57 -49.108 -0.722 8.354 493 1HD LYS 57 HD1 LYS 57 -47.694 -2.469 9.399 494 2HD LYS 57 HD2 LYS 57 -46.728 -1.084 8.905 495 1HE LYS 57 HE1 LYS 57 -45.786 -3.379 8.275 496 2HE LYS 57 HE2 LYS 57 -45.919 -2.219 6.959 497 1HZ LYS 57 HZ1 LYS 57 -46.872 -4.697 6.854 498 2HZ LYS 57 HZ2 LYS 57 -47.509 -3.406 5.952 499 3HZ LYS 57 LYS 57 -48.252 -3.876 7.406 Start of MODEL 17 Raw file had 499 H/Q atoms Start of MODEL 17 1 1H LYS 1 HT1 LYS 1 -10.253 -2.933 -11.214 2 2H LYS 1 HT2 LYS 1 -9.880 -4.491 -10.653 3 3H LYS 1 HT3 LYS 1 -8.797 -3.675 -11.673 4 HA LYS 1 HA LYS 1 -8.400 -3.779 -9.115 5 1HB LYS 1 HB1 LYS 1 -7.518 -1.282 -9.389 6 2HB LYS 1 HB2 LYS 1 -8.031 -1.481 -11.061 7 1HG LYS 1 HG1 LYS 1 -6.596 -3.449 -11.310 8 2HG LYS 1 HG2 LYS 1 -6.158 -3.381 -9.608 9 1HD LYS 1 HD1 LYS 1 -4.383 -2.361 -10.968 10 2HD LYS 1 HD2 LYS 1 -5.152 -1.137 -9.964 11 1HE LYS 1 HE1 LYS 1 -6.253 -1.620 -12.714 12 2HE LYS 1 HE2 LYS 1 -4.755 -0.712 -12.561 13 1HZ LYS 1 HZ1 LYS 1 -5.823 1.047 -11.770 14 2HZ LYS 1 HZ2 LYS 1 -6.771 0.126 -10.705 15 3HZ LYS 1 HZ3 LYS 1 -7.247 0.307 -12.325 16 OH TYR 2 OH TYR 2 -7.238 2.675 -7.990 17 H TYR 2 HN TYR 2 -11.278 -2.639 -10.157 18 HA TYR 2 HA TYR 2 -11.832 -1.469 -7.501 19 1HB TYR 2 HB1 TYR 2 -12.937 0.521 -8.574 20 2HB TYR 2 HB2 TYR 2 -12.319 0.002 -10.137 21 HD1 TYR 2 HD2 TYR 2 -11.301 1.112 -6.745 22 HD2 TYR 2 HD1 TYR 2 -10.045 0.437 -10.750 23 HE1 TYR 2 HE2 TYR 2 -9.200 2.289 -6.286 24 HE2 TYR 2 HE1 TYR 2 -7.937 1.600 -10.287 25 HH TYR 2 HH TYR 2 -6.519 2.059 -8.150 26 H ILE 3 HN ILE 3 -12.696 -3.893 -8.489 27 HA ILE 3 HA ILE 3 -15.591 -3.360 -9.043 28 HB ILE 3 HB ILE 3 -14.110 -5.933 -9.709 29 1HG1 ILE 3 HG11 ILE 3 -12.889 -4.218 -10.885 30 2HG1 ILE 3 HG12 ILE 3 -14.374 -3.414 -11.377 31 1HG2 ILE 3 HG21 ILE 3 -16.011 -6.324 -11.137 32 2HG2 ILE 3 HG22 ILE 3 -16.484 -4.629 -11.109 33 3HG2 ILE 3 HG23 ILE 3 -16.714 -5.629 -9.680 34 1HD1 ILE 3 HD1 ILE 3 -14.938 -5.122 -12.906 35 2HD1 ILE 3 HD2 ILE 3 -13.874 -6.292 -12.132 36 3HD1 ILE 3 HD3 ILE 3 -13.192 -4.985 -13.095 37 H CYS 4 HN CYS 4 -16.891 -3.920 -7.393 38 HA CYS 4 HA CYS 4 -15.850 -5.350 -5.137 39 1HB CYS 4 HB1 CYS 4 -18.664 -4.589 -5.938 40 2HB CYS 4 HB2 CYS 4 -17.645 -3.768 -4.791 41 H GLU 5 HN GLU 5 -15.248 -7.361 -5.466 42 HA GLU 5 HA GLU 5 -16.403 -9.214 -7.243 43 1HB GLU 5 HB1 GLU 5 -15.310 -10.919 -5.574 44 2HB GLU 5 HB2 GLU 5 -14.758 -9.490 -4.708 45 1HG GLU 5 HG1 GLU 5 -13.637 -8.665 -6.739 46 2HG GLU 5 HG2 GLU 5 -14.238 -10.047 -7.651 47 H GLU 6 HN GLU 6 -17.634 -8.058 -4.273 48 HA GLU 6 HA GLU 6 -19.172 -10.447 -3.681 49 1HB GLU 6 HB1 GLU 6 -19.829 -7.730 -2.561 50 2HB GLU 6 HB2 GLU 6 -18.321 -8.490 -2.081 51 1HG GLU 6 HG1 GLU 6 -20.995 -9.911 -1.920 52 2HG GLU 6 HG2 GLU 6 -20.320 -8.995 -0.575 53 H CYS 7 HN CYS 7 -20.185 -7.100 -4.411 54 HA CYS 7 HA CYS 7 -22.828 -8.034 -5.234 55 1HB CYS 7 HB1 CYS 7 -23.229 -5.691 -5.803 56 2HB CYS 7 HB2 CYS 7 -21.527 -5.340 -5.775 57 H GLY 8 HN GLY 8 -20.162 -6.401 -6.890 58 1HA GLY 8 HA1 GLY 8 -21.096 -7.616 -9.458 59 2HA GLY 8 HA2 GLY 8 -19.389 -7.487 -9.041 60 H ILE 9 HN ILE 9 -20.194 -4.814 -7.715 61 HA ILE 9 HA ILE 9 -21.010 -3.105 -9.861 62 HB ILE 9 HB ILE 9 -20.921 -2.763 -7.185 63 1HG1 ILE 9 HG11 ILE 9 -20.511 -0.594 -9.275 64 2HG1 ILE 9 HG12 ILE 9 -20.965 -0.267 -7.608 65 1HG2 ILE 9 HG21 ILE 9 -19.014 -1.485 -6.447 66 2HG2 ILE 9 HG22 ILE 9 -18.456 -1.197 -8.087 67 3HG2 ILE 9 HG23 ILE 9 -18.308 -2.797 -7.373 68 1HD1 ILE 9 HD1 ILE 9 -23.124 -0.613 -8.181 69 2HD1 ILE 9 HD2 ILE 9 -22.737 -2.294 -8.518 70 3HD1 ILE 9 HD3 ILE 9 -22.650 -1.097 -9.805 71 NH1 ARG 10 NH2 ARG 10 -16.701 -2.453 -17.262 72 NH2 ARG 10 NH1 ARG 10 -18.867 -2.379 -16.541 73 H ARG 10 HN ARG 10 -19.801 -1.783 -11.196 74 HA ARG 10 HA ARG 10 -16.864 -2.320 -11.218 75 1HB ARG 10 HB1 ARG 10 -18.538 -1.693 -13.678 76 2HB ARG 10 HB2 ARG 10 -18.430 -3.337 -13.081 77 1HG ARG 10 HG1 ARG 10 -16.630 -3.398 -14.533 78 2HG ARG 10 HG2 ARG 10 -15.782 -2.759 -13.138 79 1HD ARG 10 HD1 ARG 10 -15.295 -1.422 -15.161 80 2HD ARG 10 HD2 ARG 10 -16.150 -0.451 -13.970 81 HE ARG 10 HE ARG 10 -17.784 -0.174 -15.637 82 1HH1 ARG 10 HH21 ARG 10 -15.763 -2.111 -17.192 83 2HH1 ARG 10 HH22 ARG 10 -16.925 -3.167 -17.924 84 1HH2 ARG 10 HH11 ARG 10 -19.554 -1.983 -15.932 85 2HH2 ARG 10 HH12 ARG 10 -19.127 -3.093 -17.192 86 H ABA 11 HN ABU 11 -16.048 -0.484 -10.393 87 HA ABA 11 HA ABU 11 -16.820 2.073 -11.757 88 1HB ABA 11 HB1 ABU 11 -16.522 3.222 -9.611 89 2HB ABA 11 HB2 ABU 11 -15.975 1.747 -8.846 90 1HG ABA 11 HG1 ABU 11 -18.289 2.057 -8.223 91 2HG ABA 11 HG2 ABU 11 -18.234 0.733 -9.379 92 3HG ABA 11 HG3 ABU 11 -18.755 2.329 -9.898 93 H LYS 12 HN LYS 12 -15.055 1.861 -13.158 94 HA LYS 12 HA LYS 12 -12.419 1.244 -12.600 95 1HB LYS 12 HB1 LYS 12 -11.902 3.002 -14.440 96 2HB LYS 12 HB2 LYS 12 -13.629 3.333 -14.448 97 1HG LYS 12 HG1 LYS 12 -14.025 0.866 -14.837 98 2HG LYS 12 HG2 LYS 12 -12.287 0.667 -15.003 99 1HD LYS 12 HD1 LYS 12 -13.234 0.922 -17.231 100 2HD LYS 12 HD2 LYS 12 -12.312 2.371 -16.852 101 1HE LYS 12 HE1 LYS 12 -15.201 2.396 -16.094 102 2HE LYS 12 HE2 LYS 12 -14.835 2.471 -17.811 103 1HZ LYS 12 HZ1 LYS 12 -14.447 4.446 -15.764 104 2HZ LYS 12 HZ2 LYS 12 -14.592 4.633 -17.445 105 3HZ LYS 12 HZ3 LYS 12 -13.090 4.231 -16.761 106 H LYS 13 HN LYS 13 -14.154 3.917 -11.344 107 HA LYS 13 HA LYS 13 -11.653 5.378 -10.744 108 1HB LYS 13 HB1 LYS 13 -13.199 7.188 -9.982 109 2HB LYS 13 HB2 LYS 13 -14.568 6.116 -10.255 110 1HG LYS 13 HG1 LYS 13 -14.039 5.983 -12.641 111 2HG LYS 13 HG2 LYS 13 -12.588 6.948 -12.400 112 1HD LYS 13 HD1 LYS 13 -15.168 8.099 -11.428 113 2HD LYS 13 HD2 LYS 13 -14.912 8.056 -13.169 114 1HE LYS 13 HE1 LYS 13 -12.956 9.228 -11.165 115 2HE LYS 13 HE2 LYS 13 -14.077 10.173 -12.136 116 1HZ LYS 13 HZ1 LYS 13 -12.693 10.094 -13.834 117 2HZ LYS 13 HZ2 LYS 13 -12.615 8.398 -13.778 118 3HZ LYS 13 HZ3 LYS 13 -11.548 9.329 -12.841 119 HA PRO 14 HA PRO 14 -11.557 3.722 -6.596 120 1HB PRO 14 HB1 PRO 14 -9.512 4.593 -5.977 121 2HB PRO 14 HB2 PRO 14 -10.350 6.025 -5.382 122 1HG PRO 14 HG1 PRO 14 -8.575 5.936 -7.590 123 2HG PRO 14 HG2 PRO 14 -9.651 7.274 -7.183 124 1HD PRO 14 HD1 PRO 14 -10.785 6.829 -9.126 125 2HD PRO 14 HD2 PRO 14 -9.877 5.319 -9.351 126 H SER 15 HN SER 15 -11.838 7.241 -6.133 127 HA SER 15 HA SER 15 -13.380 7.515 -3.953 128 1HB SER 15 HB1 SER 15 -12.904 9.478 -5.347 129 2HB SER 15 HB2 SER 15 -14.673 9.384 -5.225 130 HG SER 15 HG1 SER 15 -14.709 8.265 -7.176 131 H MET 16 HN MET 16 -14.728 6.448 -7.061 132 HA MET 16 HA MET 16 -17.433 6.281 -6.063 133 1HB MET 16 HB1 MET 16 -17.600 4.654 -8.128 134 2HB MET 16 HB2 MET 16 -15.939 5.144 -8.450 135 1HG MET 16 HG1 MET 16 -16.896 6.844 -9.582 136 2HG MET 16 HG2 MET 16 -17.054 7.557 -7.999 137 1HE MET 16 HE1 MET 16 -18.536 8.840 -10.124 138 2HE MET 16 HE2 MET 16 -20.090 8.196 -10.655 139 3HE MET 16 HE3 MET 16 -18.593 7.401 -11.143 140 H LEU 17 HN LEU 17 -15.056 3.727 -6.850 141 HA LEU 17 HA LEU 17 -16.545 1.621 -5.646 142 1HB LEU 17 HB1 LEU 17 -13.507 1.762 -5.685 143 2HB LEU 17 HB2 LEU 17 -14.397 1.590 -7.173 144 HG LEU 17 HG LEU 17 -13.633 -0.607 -6.265 145 1HD1 LEU 17 HD11 LEU 17 -14.396 -1.464 -4.200 146 2HD1 LEU 17 HD12 LEU 17 -15.626 -0.223 -4.030 147 3HD1 LEU 17 HD13 LEU 17 -13.930 0.193 -3.844 148 1HD2 LEU 17 HD21 LEU 17 -15.562 -1.765 -6.854 149 2HD2 LEU 17 HD22 LEU 17 -15.919 -0.185 -7.534 150 3HD2 LEU 17 HD23 LEU 17 -16.633 -0.662 -6.003 151 H LYS 18 HN LYS 18 -13.773 3.458 -4.460 152 HA LYS 18 HA LYS 18 -13.341 2.602 -1.943 153 1HB LYS 18 HB1 LYS 18 -13.884 5.560 -2.253 154 2HB LYS 18 HB2 LYS 18 -12.625 4.834 -3.243 155 1HG LYS 18 HG1 LYS 18 -12.630 4.164 -0.334 156 2HG LYS 18 HG2 LYS 18 -12.127 5.790 -0.783 157 1HD LYS 18 HD1 LYS 18 -10.472 4.827 -2.370 158 2HD LYS 18 HD2 LYS 18 -10.963 3.207 -1.884 159 1HE LYS 18 HE1 LYS 18 -10.052 5.234 0.157 160 2HE LYS 18 HE2 LYS 18 -8.888 4.250 -0.721 161 1HZ LYS 18 HZ1 LYS 18 -10.224 2.283 0.033 162 2HZ LYS 18 HZ2 LYS 18 -11.049 3.335 1.080 163 3HZ LYS 18 HZ3 LYS 18 -9.375 3.106 1.251 164 H LYS 19 HN LYS 19 -16.016 4.791 -2.794 165 HA LYS 19 HA LYS 19 -17.099 4.763 -0.134 166 1HB LYS 19 HB1 LYS 19 -19.221 5.505 -1.660 167 2HB LYS 19 HB2 LYS 19 -17.938 5.753 -2.838 168 1HG LYS 19 HG1 LYS 19 -16.708 7.047 -0.982 169 2HG LYS 19 HG2 LYS 19 -18.241 7.038 -0.117 170 1HD LYS 19 HD1 LYS 19 -19.344 8.149 -2.010 171 2HD LYS 19 HD2 LYS 19 -17.847 8.101 -2.934 172 1HE LYS 19 HE1 LYS 19 -16.777 9.409 -1.010 173 2HE LYS 19 HE2 LYS 19 -18.406 9.655 -0.393 174 1HZ LYS 19 HZ1 LYS 19 -17.203 10.658 -2.883 175 2HZ LYS 19 HZ2 LYS 19 -18.042 11.510 -1.678 176 3HZ LYS 19 HZ3 LYS 19 -18.889 10.500 -2.749 177 H HIS 20 HN HIS 20 -17.804 3.008 -3.112 178 HA HIS 20 HA HIS 20 -20.142 1.669 -2.266 179 1HB HIS 20 HB1 HIS 20 -17.884 0.667 -4.051 180 2HB HIS 20 HB2 HIS 20 -19.313 1.534 -4.606 181 HD1 HIS 20 HD1 HIS 20 -21.182 -0.032 -5.176 182 HD2 HIS 20 HD2 HIS 20 -18.497 -1.862 -2.726 183 HE1 HIS 20 HE1 HIS 20 -21.980 -2.336 -4.936 184 H ILE 21 HN ILE 21 -16.739 0.642 -2.022 185 HA ILE 21 HA ILE 21 -17.355 -1.790 -0.665 186 HB ILE 21 HB ILE 21 -15.089 -0.863 -1.778 187 1HG1 ILE 21 HG11 ILE 21 -15.498 -2.837 0.459 188 2HG1 ILE 21 HG12 ILE 21 -13.880 -2.554 -0.169 189 1HG2 ILE 21 HG21 ILE 21 -14.488 -0.546 1.199 190 2HG2 ILE 21 HG22 ILE 21 -14.941 0.833 0.219 191 3HG2 ILE 21 HG23 ILE 21 -13.489 -0.063 -0.165 192 1HD1 ILE 21 HD1 ILE 21 -16.033 -2.963 -2.189 193 2HD1 ILE 21 HD2 ILE 21 -15.554 -4.374 -1.254 194 3HD1 ILE 21 HD3 ILE 21 -14.359 -3.505 -2.211 195 NH1 ARG 22 NH1 ARG 22 -17.310 6.736 3.459 196 NH2 ARG 22 NH2 ARG 22 -15.481 7.201 4.746 197 H ARG 22 HN ARG 22 -16.978 1.484 0.476 198 HA ARG 22 HA ARG 22 -16.677 0.755 3.271 199 1HB ARG 22 HB1 ARG 22 -17.554 3.232 3.523 200 2HB ARG 22 HB2 ARG 22 -17.439 3.285 1.766 201 1HG ARG 22 HG1 ARG 22 -15.058 2.605 1.908 202 2HG ARG 22 HG2 ARG 22 -15.176 2.565 3.662 203 1HD ARG 22 HD1 ARG 22 -15.705 5.024 1.955 204 2HD ARG 22 HD2 ARG 22 -14.209 4.716 2.837 205 HE ARG 22 HE ARG 22 -16.034 4.531 4.839 206 1HH1 ARG 22 HH11 ARG 22 -17.860 6.064 2.964 207 2HH1 ARG 22 HH12 ARG 22 -17.587 7.697 3.472 208 1HH2 ARG 22 HH21 ARG 22 -14.660 6.878 5.217 209 2HH2 ARG 22 HH22 ARG 22 -15.727 8.171 4.781 210 H THR 23 HN THR 23 -19.387 0.944 1.127 211 HA THR 23 HA THR 23 -21.352 1.354 3.215 212 HB THR 23 HB THR 23 -21.754 0.029 0.461 213 HG1 THR 23 HG1 THR 23 -22.255 2.291 -0.012 214 1HG2 THR 23 HG21 THR 23 -23.926 1.641 0.934 215 2HG2 THR 23 HG22 THR 23 -23.550 1.219 2.600 216 3HG2 THR 23 HG23 THR 23 -23.923 -0.044 1.435 217 H HIS 24 HN HIS 24 -19.534 -1.384 2.196 218 HA HIS 24 HA HIS 24 -21.483 -3.362 3.138 219 1HB HIS 24 HB1 HIS 24 -19.328 -4.870 3.011 220 2HB HIS 24 HB2 HIS 24 -18.557 -3.459 2.294 221 HD1 HIS 24 HD1 HIS 24 -21.801 -5.269 1.640 222 HD2 HIS 24 HD2 HIS 24 -18.727 -3.561 -0.415 223 HE1 HIS 24 HE1 HIS 24 -22.345 -5.570 -0.751 224 H THR 25 HN THR 25 -19.957 -1.112 4.817 225 HA THR 25 HA THR 25 -19.000 -2.874 7.003 226 HB THR 25 HB THR 25 -18.280 -0.589 7.966 227 HG1 THR 25 HG1 THR 25 -19.933 0.039 5.909 228 1HG2 THR 25 HG21 THR 25 -16.661 -1.750 6.431 229 2HG2 THR 25 HG22 THR 25 -16.662 -0.020 6.100 230 3HG2 THR 25 HG23 THR 25 -17.541 -1.119 5.041 231 H ASP 26 HN ASP 26 -20.117 0.150 7.936 232 HA ASP 26 HA ASP 26 -22.835 -0.697 8.608 233 1HB ASP 26 HB1 ASP 26 -22.329 -0.156 11.110 234 2HB ASP 26 HB2 ASP 26 -20.629 -0.329 10.684 235 H VAL 27 HN VAL 27 -21.459 1.316 7.107 236 HA VAL 27 HA VAL 27 -22.003 3.789 8.641 237 HB VAL 27 HB VAL 27 -19.887 3.645 7.389 238 1HG1 VAL 27 HG11 VAL 27 -19.858 3.365 4.952 239 2HG1 VAL 27 HG12 VAL 27 -21.613 3.243 4.928 240 3HG1 VAL 27 HG13 VAL 27 -20.657 1.995 5.704 241 1HG2 VAL 27 HG21 VAL 27 -20.017 5.825 6.770 242 2HG2 VAL 27 HG22 VAL 27 -21.728 5.728 7.176 243 3HG2 VAL 27 HG23 VAL 27 -21.200 5.472 5.516 244 NH1 ARG 28 NH2 ARG 28 -26.553 -2.545 4.118 245 NH2 ARG 28 NH1 ARG 28 -24.609 -2.584 2.919 246 H ARG 28 HN ARG 28 -24.292 2.420 8.129 247 HA ARG 28 HA ARG 28 -25.593 3.936 5.903 248 1HB ARG 28 HB1 ARG 28 -27.338 2.054 6.140 249 2HB ARG 28 HB2 ARG 28 -26.185 1.250 7.198 250 1HG ARG 28 HG1 ARG 28 -24.540 1.772 5.142 251 2HG ARG 28 HG2 ARG 28 -26.054 1.711 4.251 252 1HD ARG 28 HD1 ARG 28 -26.464 -0.496 5.619 253 2HD ARG 28 HD2 ARG 28 -24.717 -0.463 5.844 254 HE ARG 28 HE ARG 28 -25.102 -0.072 3.104 255 1HH1 ARG 28 HH21 ARG 28 -27.218 -2.024 4.653 256 2HH1 ARG 28 HH22 ARG 28 -26.692 -3.522 3.962 257 1HH2 ARG 28 HH11 ARG 28 -23.817 -2.093 2.554 258 2HH2 ARG 28 HH12 ARG 28 -24.714 -3.562 2.742 259 HA PRO 29 HA PRO 29 -27.318 5.598 9.886 260 1HB PRO 29 HB1 PRO 29 -26.739 7.816 9.760 261 2HB PRO 29 HB2 PRO 29 -27.900 8.063 8.457 262 1HG PRO 29 HG1 PRO 29 -24.999 7.884 8.267 263 2HG PRO 29 HG2 PRO 29 -26.152 8.253 6.984 264 1HD PRO 29 HD1 PRO 29 -25.948 6.151 6.134 265 2HD PRO 29 HD2 PRO 29 -24.676 5.829 7.322 266 OH TYR 30 OH TYR 30 -29.380 11.022 3.869 267 H TYR 30 HN TYR 30 -28.548 5.652 6.598 268 HA TYR 30 HA TYR 30 -31.266 6.326 7.371 269 1HB TYR 30 HB1 TYR 30 -31.788 5.502 5.015 270 2HB TYR 30 HB2 TYR 30 -30.105 5.014 4.864 271 HD1 TYR 30 HD1 TYR 30 -32.178 8.003 5.751 272 HD2 TYR 30 HD2 TYR 30 -28.545 6.576 4.058 273 HE1 TYR 30 HE1 TYR 30 -31.575 10.292 5.115 274 HE2 TYR 30 HE2 TYR 30 -27.943 8.867 3.422 275 HH TYR 30 HH TYR 30 -30.110 11.599 4.108 276 H HIS 31 HN HIS 31 -32.101 4.962 8.883 277 HA HIS 31 HA HIS 31 -32.117 2.029 8.249 278 1HB HIS 31 HB1 HIS 31 -32.621 1.753 10.693 279 2HB HIS 31 HB2 HIS 31 -32.607 3.502 10.888 280 HD1 HIS 31 HD1 HIS 31 -30.274 0.798 9.940 281 HD2 HIS 31 HD2 HIS 31 -30.126 4.607 11.316 282 HE1 HIS 31 HE1 HIS 31 -27.927 1.196 10.412 283 H CYS 32 HN CYS 32 -34.049 0.997 7.921 284 HA CYS 32 HA CYS 32 -36.389 2.522 7.376 285 1HB CYS 32 HB1 CYS 32 -35.893 -0.413 7.969 286 2HB CYS 32 HB2 CYS 32 -36.293 0.321 6.438 287 H THR 33 HN THR 33 -38.277 2.872 8.573 288 HA THR 33 HA THR 33 -37.828 3.040 11.456 289 HB THR 33 HB THR 33 -40.492 3.575 10.051 290 HG1 THR 33 HG1 THR 33 -39.441 5.004 8.931 291 1HG2 THR 33 HG21 THR 33 -40.698 5.279 11.769 292 2HG2 THR 33 HG22 THR 33 -38.977 5.218 12.133 293 3HG2 THR 33 HG23 THR 33 -40.030 3.899 12.636 294 OH TYR 34 OH TYR 34 -44.482 3.057 9.330 295 H TYR 34 HN TYR 34 -38.322 0.432 9.814 296 HA TYR 34 HA TYR 34 -40.074 -0.777 11.897 297 1HB TYR 34 HB1 TYR 34 -41.271 -2.090 10.171 298 2HB TYR 34 HB2 TYR 34 -40.286 -1.378 8.903 299 HD1 TYR 34 HD2 TYR 34 -40.416 1.202 8.619 300 HD2 TYR 34 HD1 TYR 34 -43.269 -1.031 10.848 301 HE1 TYR 34 HE2 TYR 34 -42.037 3.023 8.373 302 HE2 TYR 34 HE1 TYR 34 -44.888 0.793 10.598 303 HH TYR 34 HH TYR 34 -44.073 3.864 9.649 304 H CYS 35 HN CYS 35 -38.451 -1.868 8.932 305 HA CYS 35 HA CYS 35 -37.561 -4.339 10.056 306 1HB CYS 35 HB1 CYS 35 -36.151 -4.488 8.066 307 2HB CYS 35 HB2 CYS 35 -36.234 -2.770 7.817 308 H ASN 36 HN ASN 36 -34.917 -4.519 9.374 309 HA ASN 36 HA ASN 36 -33.572 -2.700 11.332 310 1HB ASN 36 HB1 ASN 36 -32.680 -5.553 10.769 311 2HB ASN 36 HB2 ASN 36 -33.962 -5.248 11.939 312 1HD2 ASN 36 HD21 ASN 36 -32.625 -5.879 13.760 313 2HD2 ASN 36 HD22 ASN 36 -31.334 -4.916 14.295 314 H PHE 37 HN PHE 37 -33.892 -3.317 8.205 315 HA PHE 37 HA PHE 37 -31.089 -3.504 7.401 316 1HB PHE 37 HB1 PHE 37 -33.318 -2.566 5.581 317 2HB PHE 37 HB2 PHE 37 -33.310 -4.242 6.125 318 HD1 PHE 37 HD2 PHE 37 -31.184 -5.627 5.723 319 HD2 PHE 37 HD1 PHE 37 -31.857 -1.863 3.848 320 HE1 PHE 37 HE2 PHE 37 -29.487 -6.161 4.030 321 HE2 PHE 37 HE1 PHE 37 -30.160 -2.402 2.159 322 HZ PHE 37 HZ PHE 37 -28.974 -4.552 2.248 323 H SER 38 HN SER 38 -30.059 -1.837 6.064 324 HA SER 38 HA SER 38 -31.123 0.888 6.468 325 1HB SER 38 HB1 SER 38 -28.257 0.213 7.238 326 2HB SER 38 HB2 SER 38 -29.568 0.177 8.422 327 HG SER 38 HG1 SER 38 -29.503 2.267 8.431 328 H PHE 39 HN PHE 39 -29.878 2.520 5.271 329 HA PHE 39 HA PHE 39 -28.357 1.361 2.981 330 1HB PHE 39 HB1 PHE 39 -29.691 2.595 1.434 331 2HB PHE 39 HB2 PHE 39 -30.311 3.659 2.696 332 HD1 PHE 39 HD2 PHE 39 -31.862 2.674 4.459 333 HD2 PHE 39 HD1 PHE 39 -30.838 0.558 0.910 334 HE1 PHE 39 HE2 PHE 39 -33.799 1.200 4.776 335 HE2 PHE 39 HE1 PHE 39 -32.787 -0.903 1.224 336 HZ PHE 39 HZ PHE 39 -34.268 -0.582 3.158 337 H LYS 40 HN LYS 40 -27.052 2.944 1.843 338 HA LYS 40 HA LYS 40 -25.819 4.831 3.735 339 1HB LYS 40 HB1 LYS 40 -25.139 3.873 0.913 340 2HB LYS 40 HB2 LYS 40 -24.353 3.398 2.403 341 1HG LYS 40 HG1 LYS 40 -24.271 6.178 1.169 342 2HG LYS 40 HG2 LYS 40 -22.954 5.019 1.206 343 1HD LYS 40 HD1 LYS 40 -23.240 5.035 3.764 344 2HD LYS 40 HD2 LYS 40 -24.191 6.494 3.530 345 1HE LYS 40 HE1 LYS 40 -21.278 6.026 2.908 346 2HE LYS 40 HE2 LYS 40 -22.004 7.321 3.852 347 1HZ LYS 40 HZ1 LYS 40 -22.267 6.950 0.921 348 2HZ LYS 40 HZ2 LYS 40 -21.301 8.111 1.698 349 3HZ LYS 40 HZ3 LYS 40 -22.993 8.190 1.826 350 H THR 41 HN THR 41 -28.073 4.904 1.163 351 HA THR 41 HA THR 41 -27.862 7.889 1.106 352 HB THR 41 HB THR 41 -28.149 7.884 -1.292 353 HG1 THR 41 HG1 THR 41 -29.258 5.406 -0.599 354 1HG2 THR 41 HG21 THR 41 -26.767 5.182 -0.838 355 2HG2 THR 41 HG22 THR 41 -25.929 6.696 -0.517 356 3HG2 THR 41 HG23 THR 41 -26.467 6.317 -2.149 357 H LYS 42 HN LYS 42 -29.794 9.003 0.621 358 HA LYS 42 HA LYS 42 -32.094 7.832 1.897 359 1HB LYS 42 HB1 LYS 42 -31.982 10.390 0.238 360 2HB LYS 42 HB2 LYS 42 -31.411 10.318 1.901 361 1HG LYS 42 HG1 LYS 42 -33.617 9.686 2.697 362 2HG LYS 42 HG2 LYS 42 -34.211 9.518 1.050 363 1HD LYS 42 HD1 LYS 42 -33.654 11.970 0.700 364 2HD LYS 42 HD2 LYS 42 -33.330 12.073 2.426 365 1HE LYS 42 HE1 LYS 42 -35.604 11.466 2.967 366 2HE LYS 42 HE2 LYS 42 -35.954 11.057 1.292 367 1HZ LYS 42 HZ1 LYS 42 -36.280 13.504 2.532 368 2HZ LYS 42 HZ2 LYS 42 -36.487 13.143 0.885 369 3HZ LYS 42 HZ3 LYS 42 -34.985 13.700 1.451 370 H GLY 43 HN GLY 43 -30.920 8.058 -1.321 371 1HA GLY 43 HA1 GLY 43 -31.828 7.316 -3.356 372 2HA GLY 43 HA2 GLY 43 -33.378 7.913 -2.767 373 H ASN 44 HN ASN 44 -31.143 5.265 -1.943 374 HA ASN 44 HA ASN 44 -32.798 3.153 -2.733 375 1HB ASN 44 HB1 ASN 44 -31.495 1.856 -0.912 376 2HB ASN 44 HB2 ASN 44 -30.728 3.389 -0.511 377 1HD2 ASN 44 HD21 ASN 44 -28.708 3.460 -1.476 378 2HD2 ASN 44 HD22 ASN 44 -28.353 2.925 -3.047 379 H LEU 45 HN LEU 45 -32.731 4.933 0.312 380 HA LEU 45 HA LEU 45 -34.451 3.289 1.817 381 1HB LEU 45 HB1 LEU 45 -34.430 6.356 1.787 382 2HB LEU 45 HB2 LEU 45 -33.210 5.399 2.603 383 HG LEU 45 HG LEU 45 -34.839 6.099 4.254 384 1HD1 LEU 45 HD11 LEU 45 -36.686 6.258 2.336 385 2HD1 LEU 45 HD12 LEU 45 -37.140 6.047 4.020 386 3HD1 LEU 45 HD13 LEU 45 -37.127 4.668 2.935 387 1HD2 LEU 45 HD21 LEU 45 -35.644 3.230 3.788 388 2HD2 LEU 45 HD22 LEU 45 -35.231 4.045 5.288 389 3HD2 LEU 45 HD23 LEU 45 -33.971 3.626 4.140 390 H THR 46 HN THR 46 -35.326 6.102 -0.188 391 HA THR 46 HA THR 46 -38.113 5.913 0.065 392 HB THR 46 HB THR 46 -36.351 6.749 -2.313 393 HG1 THR 46 HG1 THR 46 -37.525 8.748 -1.375 394 1HG2 THR 46 HG21 THR 46 -38.569 8.051 -2.879 395 2HG2 THR 46 HG22 THR 46 -39.379 6.863 -1.863 396 3HG2 THR 46 HG23 THR 46 -38.539 6.347 -3.321 397 H LYS 47 HN LYS 47 -35.906 4.091 -1.970 398 HA LYS 47 HA LYS 47 -37.885 2.805 -3.583 399 1HB LYS 47 HB1 LYS 47 -35.668 1.019 -3.039 400 2HB LYS 47 HB2 LYS 47 -35.041 2.655 -3.150 401 1HG LYS 47 HG1 LYS 47 -35.006 1.781 -5.387 402 2HG LYS 47 HG2 LYS 47 -36.353 2.907 -5.324 403 1HD LYS 47 HD1 LYS 47 -37.959 1.143 -5.207 404 2HD LYS 47 HD2 LYS 47 -36.738 -0.052 -4.789 405 1HE LYS 47 HE1 LYS 47 -37.490 -0.164 -7.193 406 2HE LYS 47 HE2 LYS 47 -35.758 0.076 -7.001 407 1HZ LYS 47 HZ1 LYS 47 -36.948 2.590 -7.034 408 2HZ LYS 47 HZ2 LYS 47 -37.615 1.709 -8.324 409 3HZ LYS 47 HZ3 LYS 47 -35.931 1.897 -8.205 410 H HIS 48 HN HIS 48 -36.453 1.951 -0.460 411 HA HIS 48 HA HIS 48 -37.749 -0.604 -0.253 412 1HB HIS 48 HB1 HIS 48 -36.730 1.334 1.889 413 2HB HIS 48 HB2 HIS 48 -35.853 -0.036 1.215 414 HD1 HIS 48 HD1 HIS 48 -37.831 -2.214 1.441 415 HD2 HIS 48 HD2 HIS 48 -37.483 0.552 4.431 416 HE1 HIS 48 HE1 HIS 48 -38.747 -3.294 3.435 417 H MET 49 HN MET 49 -38.632 2.636 0.889 418 HA MET 49 HA MET 49 -41.035 1.803 2.218 419 1HB MET 49 HB1 MET 49 -41.647 4.326 1.731 420 2HB MET 49 HB2 MET 49 -40.016 4.431 1.078 421 1HG MET 49 HG1 MET 49 -39.145 3.509 3.216 422 2HG MET 49 HG2 MET 49 -40.765 3.502 3.856 423 1HE MET 49 HE1 MET 49 -39.253 4.522 5.853 424 2HE MET 49 HE2 MET 49 -40.981 4.871 5.790 425 3HE MET 49 HE3 MET 49 -39.837 6.151 6.196 426 H LYS 50 HN LYS 50 -40.280 2.608 -1.101 427 HA LYS 50 HA LYS 50 -42.766 3.123 -2.216 428 1HB LYS 50 HB1 LYS 50 -40.980 1.053 -3.524 429 2HB LYS 50 HB2 LYS 50 -40.358 2.681 -3.293 430 1HG LYS 50 HG1 LYS 50 -41.411 2.515 -5.502 431 2HG LYS 50 HG2 LYS 50 -42.356 3.590 -4.479 432 1HD LYS 50 HD1 LYS 50 -44.069 2.010 -4.180 433 2HD LYS 50 HD2 LYS 50 -43.024 0.653 -4.583 434 1HE LYS 50 HE1 LYS 50 -44.668 1.261 -6.404 435 2HE LYS 50 HE2 LYS 50 -42.987 1.290 -6.920 436 1HZ LYS 50 HZ1 LYS 50 -43.433 3.328 -7.629 437 2HZ LYS 50 HZ2 LYS 50 -43.405 3.802 -5.998 438 3HZ LYS 50 HZ3 LYS 50 -44.882 3.429 -6.749 439 H SER 51 HN SER 51 -41.376 -0.133 -1.785 440 HA SER 51 HA SER 51 -43.572 -1.642 -2.611 441 1HB SER 51 HB1 SER 51 -41.737 -2.211 -0.215 442 2HB SER 51 HB2 SER 51 -41.390 -2.650 -1.898 443 HG SER 51 HG1 SER 51 -42.560 -4.228 -0.434 444 H LYS 52 HN LYS 52 -45.390 -2.493 -1.587 445 HA LYS 52 HA LYS 52 -46.505 -0.740 0.482 446 1HB LYS 52 HB1 LYS 52 -48.091 -1.403 -1.183 447 2HB LYS 52 HB2 LYS 52 -48.493 -2.433 0.183 448 1HG LYS 52 HG1 LYS 52 -48.287 -4.145 -1.308 449 2HG LYS 52 HG2 LYS 52 -46.556 -3.927 -1.083 450 1HD LYS 52 HD1 LYS 52 -46.526 -2.316 -2.980 451 2HD LYS 52 HD2 LYS 52 -48.252 -2.565 -3.209 452 1HE LYS 52 HE1 LYS 52 -46.537 -5.007 -3.150 453 2HE LYS 52 HE2 LYS 52 -46.410 -3.979 -4.571 454 1HZ LYS 52 HZ1 LYS 52 -48.767 -5.408 -3.532 455 2HZ LYS 52 HZ2 LYS 52 -48.103 -5.434 -5.096 456 3HZ LYS 52 HZ3 LYS 52 -48.949 -4.064 -4.555 457 H ALA 53 HN ALA 53 -44.265 -2.214 1.354 458 HA ALA 53 HA ALA 53 -45.117 -4.547 2.847 459 1HB ALA 53 HB1 ALA 53 -42.757 -4.326 2.285 460 2HB ALA 53 HB2 ALA 53 -42.865 -4.142 4.033 461 3HB ALA 53 HB3 ALA 53 -42.674 -2.723 3.008 462 H HIS 54 HN HIS 54 -43.905 -1.427 4.086 463 HA HIS 54 HA HIS 54 -46.164 -1.234 5.916 464 1HB HIS 54 HB1 HIS 54 -44.947 -2.683 7.324 465 2HB HIS 54 HB2 HIS 54 -44.392 -1.113 7.885 466 HD1 HIS 54 HD1 HIS 54 -43.186 -4.133 6.273 467 HD2 HIS 54 HD2 HIS 54 -41.717 -0.378 6.946 468 HE1 HIS 54 HE1 HIS 54 -40.760 -4.306 5.960 469 H SER 55 HN SER 55 -46.511 0.790 5.088 470 HA SER 55 HA SER 55 -44.576 2.854 6.013 471 1HB SER 55 HB1 SER 55 -44.658 4.001 3.840 472 2HB SER 55 HB2 SER 55 -45.890 2.872 3.241 473 HG SER 55 HG1 SER 55 -44.304 1.190 3.797 474 H LYS 56 HN LYS 56 -46.734 2.375 7.461 475 HA LYS 56 HA LYS 56 -49.122 3.747 6.633 476 1HB LYS 56 HB1 LYS 56 -49.623 3.702 9.134 477 2HB LYS 56 HB2 LYS 56 -48.003 3.063 9.394 478 1HG LYS 56 HG1 LYS 56 -48.520 1.121 7.973 479 2HG LYS 56 HG2 LYS 56 -50.124 1.770 7.645 480 1HD LYS 56 HD1 LYS 56 -50.907 1.278 9.767 481 2HD LYS 56 HD2 LYS 56 -49.322 1.464 10.509 482 1HE LYS 56 HE1 LYS 56 -50.034 -0.822 8.646 483 2HE LYS 56 HE2 LYS 56 -50.157 -0.929 10.397 484 1HZ LYS 56 HZ1 LYS 56 -48.060 -1.633 10.239 485 2HZ LYS 56 HZ2 LYS 56 -47.680 0.018 10.102 486 3HZ LYS 56 HZ3 LYS 56 -47.816 -0.941 8.707 487 H LYS 57 HN LYS 57 -47.796 4.850 9.623 488 HA LYS 57 HA LYS 57 -48.332 7.560 9.137 489 1HB LYS 57 HB1 LYS 57 -46.099 6.480 10.916 490 2HB LYS 57 HB2 LYS 57 -47.796 6.456 11.379 491 1HG LYS 57 HG1 LYS 57 -47.914 8.900 11.183 492 2HG LYS 57 HG2 LYS 57 -46.244 8.957 10.629 493 1HD LYS 57 HD1 LYS 57 -46.799 7.563 13.217 494 2HD LYS 57 HD2 LYS 57 -46.872 9.321 13.206 495 1HE LYS 57 HE1 LYS 57 -44.538 7.911 11.930 496 2HE LYS 57 HE2 LYS 57 -44.572 8.143 13.673 497 1HZ LYS 57 HZ1 LYS 57 -45.283 10.569 12.618 498 2HZ LYS 57 HZ2 LYS 57 -44.024 10.025 11.617 499 3HZ LYS 57 LYS 57 -43.781 10.155 13.293 Start of MODEL 18 Raw file had 499 H/Q atoms Start of MODEL 18 1 1H LYS 1 HT1 LYS 1 -8.802 -3.347 -12.327 2 2H LYS 1 HT2 LYS 1 -9.038 -2.025 -11.288 3 3H LYS 1 HT3 LYS 1 -10.367 -2.738 -12.070 4 HA LYS 1 HA LYS 1 -9.993 -4.800 -10.861 5 1HB LYS 1 HB1 LYS 1 -7.626 -4.662 -10.355 6 2HB LYS 1 HB2 LYS 1 -8.446 -4.518 -8.805 7 1HG LYS 1 HG1 LYS 1 -8.322 -2.016 -9.042 8 2HG LYS 1 HG2 LYS 1 -7.356 -2.244 -10.496 9 1HD LYS 1 HD1 LYS 1 -5.737 -3.604 -9.111 10 2HD LYS 1 HD2 LYS 1 -6.655 -3.143 -7.682 11 1HE LYS 1 HE1 LYS 1 -6.317 -0.706 -8.475 12 2HE LYS 1 HE2 LYS 1 -5.092 -1.357 -9.557 13 1HZ LYS 1 HZ1 LYS 1 -5.068 -1.104 -6.660 14 2HZ LYS 1 HZ2 LYS 1 -3.797 -0.963 -7.777 15 3HZ LYS 1 HZ3 LYS 1 -4.345 -2.499 -7.304 16 OH TYR 2 OH TYR 2 -7.899 2.575 -9.175 17 H TYR 2 HN TYR 2 -11.459 -2.185 -10.935 18 HA TYR 2 HA TYR 2 -12.139 -1.844 -8.064 19 1HB TYR 2 HB1 TYR 2 -13.492 0.086 -8.908 20 2HB TYR 2 HB2 TYR 2 -13.096 -0.366 -10.564 21 HD1 TYR 2 HD2 TYR 2 -11.592 0.713 -7.337 22 HD2 TYR 2 HD1 TYR 2 -11.016 0.289 -11.529 23 HE1 TYR 2 HE2 TYR 2 -9.504 1.986 -7.178 24 HE2 TYR 2 HE1 TYR 2 -8.926 1.559 -11.371 25 HH TYR 2 HH TYR 2 -7.168 1.958 -9.259 26 H ILE 3 HN ILE 3 -12.880 -4.294 -8.810 27 HA ILE 3 HA ILE 3 -15.805 -4.105 -9.401 28 HB ILE 3 HB ILE 3 -14.054 -6.596 -9.491 29 1HG1 ILE 3 HG11 ILE 3 -14.217 -4.317 -11.356 30 2HG1 ILE 3 HG12 ILE 3 -14.502 -5.880 -12.113 31 1HG2 ILE 3 HG21 ILE 3 -16.564 -6.847 -9.439 32 2HG2 ILE 3 HG22 ILE 3 -15.892 -7.394 -10.971 33 3HG2 ILE 3 HG23 ILE 3 -16.682 -5.824 -10.866 34 1HD1 ILE 3 HD1 ILE 3 -12.173 -5.396 -10.240 35 2HD1 ILE 3 HD2 ILE 3 -12.053 -5.122 -11.976 36 3HD1 ILE 3 HD3 ILE 3 -12.397 -6.735 -11.362 37 H CYS 4 HN CYS 4 -16.849 -3.973 -7.454 38 HA CYS 4 HA CYS 4 -15.934 -4.920 -4.996 39 1HB CYS 4 HB1 CYS 4 -18.687 -4.561 -6.137 40 2HB CYS 4 HB2 CYS 4 -17.892 -3.615 -4.916 41 H GLU 5 HN GLU 5 -15.599 -6.837 -4.171 42 HA GLU 5 HA GLU 5 -15.934 -9.226 -5.688 43 1HB GLU 5 HB1 GLU 5 -15.242 -10.347 -3.531 44 2HB GLU 5 HB2 GLU 5 -15.393 -8.794 -2.718 45 1HG GLU 5 HG1 GLU 5 -13.820 -8.130 -4.873 46 2HG GLU 5 HG2 GLU 5 -13.270 -9.768 -4.526 47 H GLU 6 HN GLU 6 -18.124 -7.535 -3.675 48 HA GLU 6 HA GLU 6 -19.724 -9.950 -3.184 49 1HB GLU 6 HB1 GLU 6 -20.384 -7.101 -2.359 50 2HB GLU 6 HB2 GLU 6 -19.313 -8.126 -1.413 51 1HG GLU 6 HG1 GLU 6 -21.121 -9.830 -1.248 52 2HG GLU 6 HG2 GLU 6 -22.192 -8.758 -2.146 53 H CYS 7 HN CYS 7 -20.703 -6.665 -4.094 54 HA CYS 7 HA CYS 7 -22.985 -7.673 -5.556 55 1HB CYS 7 HB1 CYS 7 -23.525 -5.421 -5.930 56 2HB CYS 7 HB2 CYS 7 -21.859 -4.923 -5.980 57 H GLY 8 HN GLY 8 -19.820 -6.379 -6.495 58 1HA GLY 8 HA1 GLY 8 -20.256 -7.550 -9.193 59 2HA GLY 8 HA2 GLY 8 -18.697 -7.107 -8.514 60 H ILE 9 HN ILE 9 -20.246 -4.543 -7.587 61 HA ILE 9 HA ILE 9 -21.006 -3.079 -9.867 62 HB ILE 9 HB ILE 9 -21.140 -2.474 -7.309 63 1HG1 ILE 9 HG11 ILE 9 -21.982 -1.066 -9.189 64 2HG1 ILE 9 HG12 ILE 9 -20.395 -0.322 -9.325 65 1HG2 ILE 9 HG21 ILE 9 -19.305 -1.186 -6.429 66 2HG2 ILE 9 HG22 ILE 9 -18.582 -0.957 -8.010 67 3HG2 ILE 9 HG23 ILE 9 -18.513 -2.526 -7.226 68 1HD1 ILE 9 HD1 ILE 9 -22.116 0.946 -7.910 69 2HD1 ILE 9 HD2 ILE 9 -20.561 0.651 -7.142 70 3HD1 ILE 9 HD3 ILE 9 -21.951 -0.346 -6.727 71 NH1 ARG 10 NH1 ARG 10 -17.113 -3.421 -18.087 72 NH2 ARG 10 NH2 ARG 10 -19.324 -3.258 -17.536 73 H ARG 10 HN ARG 10 -19.915 -1.932 -11.395 74 HA ARG 10 HA ARG 10 -16.938 -2.212 -11.348 75 1HB ARG 10 HB1 ARG 10 -18.702 -1.606 -13.758 76 2HB ARG 10 HB2 ARG 10 -18.365 -3.251 -13.240 77 1HG ARG 10 HG1 ARG 10 -15.864 -2.586 -13.353 78 2HG ARG 10 HG2 ARG 10 -16.408 -1.171 -14.244 79 1HD ARG 10 HD1 ARG 10 -17.048 -4.040 -15.010 80 2HD ARG 10 HD2 ARG 10 -15.779 -3.066 -15.749 81 HE ARG 10 HE ARG 10 -18.156 -1.562 -15.951 82 1HH1 ARG 10 HH11 ARG 10 -16.157 -3.236 -17.858 83 2HH1 ARG 10 HH12 ARG 10 -17.340 -3.897 -18.937 84 1HH2 ARG 10 HH21 ARG 10 -20.026 -2.951 -16.893 85 2HH2 ARG 10 HH22 ARG 10 -19.589 -3.731 -18.377 86 H ABA 11 HN ABU 11 -15.987 -0.418 -10.678 87 HA ABA 11 HA ABU 11 -16.887 2.180 -11.859 88 1HB ABA 11 HB1 ABU 11 -16.461 3.260 -9.690 89 2HB ABA 11 HB2 ABU 11 -15.904 1.752 -9.003 90 1HG ABA 11 HG1 ABU 11 -18.717 2.438 -9.887 91 2HG ABA 11 HG2 ABU 11 -18.175 2.036 -8.262 92 3HG ABA 11 HG3 ABU 11 -18.213 0.796 -9.509 93 H LYS 12 HN LYS 12 -15.231 2.320 -13.302 94 HA LYS 12 HA LYS 12 -12.558 1.588 -12.950 95 1HB LYS 12 HB1 LYS 12 -12.257 3.688 -14.610 96 2HB LYS 12 HB2 LYS 12 -14.013 3.588 -14.657 97 1HG LYS 12 HG1 LYS 12 -12.113 1.290 -15.230 98 2HG LYS 12 HG2 LYS 12 -12.986 2.214 -16.447 99 1HD LYS 12 HD1 LYS 12 -15.135 1.543 -15.307 100 2HD LYS 12 HD2 LYS 12 -14.193 0.485 -14.264 101 1HE LYS 12 HE1 LYS 12 -15.154 -0.699 -16.259 102 2HE LYS 12 HE2 LYS 12 -13.399 -0.785 -16.185 103 1HZ LYS 12 HZ1 LYS 12 -14.500 1.477 -17.630 104 2HZ LYS 12 HZ2 LYS 12 -14.736 -0.045 -18.346 105 3HZ LYS 12 HZ3 LYS 12 -13.164 0.494 -17.995 106 H LYS 13 HN LYS 13 -14.204 4.096 -11.333 107 HA LYS 13 HA LYS 13 -11.650 5.513 -10.796 108 1HB LYS 13 HB1 LYS 13 -13.281 7.217 -9.709 109 2HB LYS 13 HB2 LYS 13 -14.564 6.264 -10.444 110 1HG LYS 13 HG1 LYS 13 -13.500 6.575 -12.669 111 2HG LYS 13 HG2 LYS 13 -12.249 7.561 -11.922 112 1HD LYS 13 HD1 LYS 13 -13.714 9.240 -12.549 113 2HD LYS 13 HD2 LYS 13 -14.377 8.871 -10.961 114 1HE LYS 13 HE1 LYS 13 -16.298 8.744 -12.277 115 2HE LYS 13 HE2 LYS 13 -15.773 7.066 -12.296 116 1HZ LYS 13 HZ1 LYS 13 -14.648 8.777 -14.354 117 2HZ LYS 13 HZ2 LYS 13 -16.310 8.452 -14.484 118 3HZ LYS 13 HZ3 LYS 13 -15.195 7.171 -14.448 119 HA PRO 14 HA PRO 14 -11.448 3.784 -6.698 120 1HB PRO 14 HB1 PRO 14 -9.407 4.706 -6.127 121 2HB PRO 14 HB2 PRO 14 -10.290 6.055 -5.411 122 1HG PRO 14 HG1 PRO 14 -8.588 6.209 -7.663 123 2HG PRO 14 HG2 PRO 14 -9.733 7.451 -7.152 124 1HD PRO 14 HD1 PRO 14 -10.888 7.049 -9.093 125 2HD PRO 14 HD2 PRO 14 -9.894 5.617 -9.427 126 H SER 15 HN SER 15 -11.840 7.280 -6.163 127 HA SER 15 HA SER 15 -13.338 7.412 -3.917 128 1HB SER 15 HB1 SER 15 -12.934 9.476 -5.125 129 2HB SER 15 HB2 SER 15 -14.700 9.303 -5.156 130 HG SER 15 HG1 SER 15 -12.844 8.463 -7.135 131 H MET 16 HN MET 16 -14.654 6.459 -7.062 132 HA MET 16 HA MET 16 -17.362 6.223 -6.092 133 1HB MET 16 HB1 MET 16 -17.523 4.696 -8.214 134 2HB MET 16 HB2 MET 16 -15.850 5.164 -8.506 135 1HG MET 16 HG1 MET 16 -17.329 6.669 -9.703 136 2HG MET 16 HG2 MET 16 -16.499 7.531 -8.435 137 1HE MET 16 HE1 MET 16 -19.221 8.594 -10.103 138 2HE MET 16 HE2 MET 16 -17.921 9.340 -9.171 139 3HE MET 16 HE3 MET 16 -19.603 9.605 -8.709 140 H LEU 17 HN LEU 17 -14.864 3.764 -6.836 141 HA LEU 17 HA LEU 17 -16.413 1.624 -5.707 142 1HB LEU 17 HB1 LEU 17 -13.380 1.660 -5.842 143 2HB LEU 17 HB2 LEU 17 -14.320 1.559 -7.312 144 HG LEU 17 HG LEU 17 -13.614 -0.693 -6.448 145 1HD1 LEU 17 HD11 LEU 17 -14.423 -1.573 -4.399 146 2HD1 LEU 17 HD12 LEU 17 -15.572 -0.265 -4.182 147 3HD1 LEU 17 HD13 LEU 17 -13.851 0.041 -4.003 148 1HD2 LEU 17 HD21 LEU 17 -15.897 -0.148 -7.679 149 2HD2 LEU 17 HD22 LEU 17 -16.610 -0.636 -6.153 150 3HD2 LEU 17 HD23 LEU 17 -15.593 -1.756 -7.046 151 H LYS 18 HN LYS 18 -13.488 3.266 -4.551 152 HA LYS 18 HA LYS 18 -13.066 2.310 -2.066 153 1HB LYS 18 HB1 LYS 18 -13.270 5.235 -2.912 154 2HB LYS 18 HB2 LYS 18 -11.815 4.246 -2.850 155 1HG LYS 18 HG1 LYS 18 -12.632 4.012 -0.276 156 2HG LYS 18 HG2 LYS 18 -13.277 5.607 -0.645 157 1HD LYS 18 HD1 LYS 18 -10.399 4.714 -1.032 158 2HD LYS 18 HD2 LYS 18 -10.981 5.805 0.221 159 1HE LYS 18 HE1 LYS 18 -10.427 7.432 -1.286 160 2HE LYS 18 HE2 LYS 18 -11.980 7.027 -2.004 161 1HZ LYS 18 HZ1 LYS 18 -9.824 7.038 -3.428 162 2HZ LYS 18 HZ2 LYS 18 -11.013 5.853 -3.679 163 3HZ LYS 18 HZ3 LYS 18 -9.618 5.480 -2.786 164 H LYS 19 HN LYS 19 -15.610 4.708 -2.760 165 HA LYS 19 HA LYS 19 -16.621 4.611 -0.066 166 1HB LYS 19 HB1 LYS 19 -18.613 5.828 -1.173 167 2HB LYS 19 HB2 LYS 19 -17.736 5.685 -2.693 168 1HG LYS 19 HG1 LYS 19 -15.890 6.989 -1.841 169 2HG LYS 19 HG2 LYS 19 -16.537 6.944 -0.204 170 1HD LYS 19 HD1 LYS 19 -18.566 8.178 -1.040 171 2HD LYS 19 HD2 LYS 19 -17.771 8.338 -2.601 172 1HE LYS 19 HE1 LYS 19 -17.355 10.363 -1.312 173 2HE LYS 19 HE2 LYS 19 -15.848 9.468 -1.449 174 1HZ LYS 19 HZ1 LYS 19 -15.738 9.257 0.733 175 2HZ LYS 19 HZ2 LYS 19 -17.319 8.645 0.833 176 3HZ LYS 19 HZ3 LYS 19 -17.055 10.322 0.861 177 H HIS 20 HN HIS 20 -17.508 3.077 -3.122 178 HA HIS 20 HA HIS 20 -19.962 1.930 -2.324 179 1HB HIS 20 HB1 HIS 20 -17.784 0.780 -4.117 180 2HB HIS 20 HB2 HIS 20 -19.156 1.739 -4.661 181 HD1 HIS 20 HD1 HIS 20 -21.144 0.310 -5.197 182 HD2 HIS 20 HD2 HIS 20 -18.511 -1.732 -2.864 183 HE1 HIS 20 HE1 HIS 20 -22.065 -1.951 -4.999 184 H ILE 21 HN ILE 21 -16.669 0.607 -2.087 185 HA ILE 21 HA ILE 21 -17.514 -1.773 -0.761 186 HB ILE 21 HB ILE 21 -15.313 -1.667 -1.816 187 1HG1 ILE 21 HG11 ILE 21 -15.746 -2.625 0.801 188 2HG1 ILE 21 HG12 ILE 21 -14.191 -1.810 0.858 189 1HG2 ILE 21 HG21 ILE 21 -14.785 0.524 0.254 190 2HG2 ILE 21 HG22 ILE 21 -14.805 0.707 -1.496 191 3HG2 ILE 21 HG23 ILE 21 -13.523 -0.214 -0.723 192 1HD1 ILE 21 HD1 ILE 21 -15.050 -3.972 -1.089 193 2HD1 ILE 21 HD2 ILE 21 -13.846 -4.123 0.187 194 3HD1 ILE 21 HD3 ILE 21 -13.531 -3.090 -1.203 195 NH1 ARG 22 NH2 ARG 22 -15.794 4.040 5.448 196 NH2 ARG 22 NH1 ARG 22 -14.402 5.774 5.972 197 H ARG 22 HN ARG 22 -16.744 1.439 0.439 198 HA ARG 22 HA ARG 22 -16.520 0.678 3.199 199 1HB ARG 22 HB1 ARG 22 -17.336 3.171 3.505 200 2HB ARG 22 HB2 ARG 22 -17.229 3.253 1.752 201 1HG ARG 22 HG1 ARG 22 -14.866 2.488 1.875 202 2HG ARG 22 HG2 ARG 22 -14.980 2.456 3.630 203 1HD ARG 22 HD1 ARG 22 -15.937 5.002 2.821 204 2HD ARG 22 HD2 ARG 22 -14.459 4.713 1.904 205 HE ARG 22 HE ARG 22 -13.236 4.791 3.938 206 1HH1 ARG 22 HH21 ARG 22 -16.077 3.337 4.796 207 2HH1 ARG 22 HH22 ARG 22 -16.265 4.127 6.325 208 1HH2 ARG 22 HH11 ARG 22 -13.643 6.371 5.714 209 2HH2 ARG 22 HH12 ARG 22 -14.850 5.890 6.859 210 H THR 23 HN THR 23 -19.248 1.027 1.090 211 HA THR 23 HA THR 23 -21.230 1.452 3.138 212 HB THR 23 HB THR 23 -21.436 0.154 0.354 213 HG1 THR 23 HG1 THR 23 -21.728 2.703 1.541 214 1HG2 THR 23 HG21 THR 23 -23.514 -0.467 1.376 215 2HG2 THR 23 HG22 THR 23 -23.893 1.150 0.795 216 3HG2 THR 23 HG23 THR 23 -23.473 0.896 2.488 217 H HIS 24 HN HIS 24 -19.668 -1.447 1.902 218 HA HIS 24 HA HIS 24 -21.546 -3.294 3.099 219 1HB HIS 24 HB1 HIS 24 -19.531 -4.918 2.836 220 2HB HIS 24 HB2 HIS 24 -18.647 -3.551 2.162 221 HD1 HIS 24 HD1 HIS 24 -22.053 -5.033 1.464 222 HD2 HIS 24 HD2 HIS 24 -18.820 -3.591 -0.549 223 HE1 HIS 24 HE1 HIS 24 -22.618 -5.219 -0.939 224 H THR 25 HN THR 25 -20.055 -1.065 4.731 225 HA THR 25 HA THR 25 -18.878 -2.789 6.841 226 HB THR 25 HB THR 25 -18.243 -0.499 7.811 227 HG1 THR 25 HG1 THR 25 -20.038 0.086 5.830 228 1HG2 THR 25 HG21 THR 25 -17.675 -0.976 4.842 229 2HG2 THR 25 HG22 THR 25 -16.611 -1.406 6.179 230 3HG2 THR 25 HG23 THR 25 -16.877 0.288 5.774 231 H ASP 26 HN ASP 26 -20.123 0.137 7.919 232 HA ASP 26 HA ASP 26 -22.709 -0.980 8.759 233 1HB ASP 26 HB1 ASP 26 -22.266 -0.714 11.138 234 2HB ASP 26 HB2 ASP 26 -20.743 0.114 10.823 235 H VAL 27 HN VAL 27 -21.655 1.145 7.101 236 HA VAL 27 HA VAL 27 -22.563 3.572 8.560 237 HB VAL 27 HB VAL 27 -20.382 3.668 7.389 238 1HG1 VAL 27 HG11 VAL 27 -21.945 3.100 4.853 239 2HG1 VAL 27 HG12 VAL 27 -20.955 1.922 5.688 240 3HG1 VAL 27 HG13 VAL 27 -20.208 3.345 4.982 241 1HG2 VAL 27 HG21 VAL 27 -22.496 5.490 7.078 242 2HG2 VAL 27 HG22 VAL 27 -21.800 5.337 5.467 243 3HG2 VAL 27 HG23 VAL 27 -20.787 5.822 6.821 244 NH1 ARG 28 NH2 ARG 28 -25.422 -2.931 2.551 245 NH2 ARG 28 NH1 ARG 28 -23.787 -3.473 4.053 246 H ARG 28 HN ARG 28 -24.544 1.794 7.944 247 HA ARG 28 HA ARG 28 -25.982 3.075 5.658 248 1HB ARG 28 HB1 ARG 28 -27.346 0.883 5.776 249 2HB ARG 28 HB2 ARG 28 -26.107 0.295 6.875 250 1HG ARG 28 HG1 ARG 28 -24.592 1.297 4.809 251 2HG ARG 28 HG2 ARG 28 -25.990 0.662 3.956 252 1HD ARG 28 HD1 ARG 28 -25.681 -1.466 5.403 253 2HD ARG 28 HD2 ARG 28 -24.080 -0.825 5.769 254 HE ARG 28 HE ARG 28 -23.953 -0.721 3.112 255 1HH1 ARG 28 HH21 ARG 28 -25.976 -2.229 2.105 256 2HH1 ARG 28 HH22 ARG 28 -25.546 -3.894 2.311 257 1HH2 ARG 28 HH11 ARG 28 -23.116 -3.176 4.733 258 2HH2 ARG 28 HH12 ARG 28 -23.884 -4.445 3.838 259 HA PRO 29 HA PRO 29 -28.172 4.279 9.566 260 1HB PRO 29 HB1 PRO 29 -28.080 6.571 9.486 261 2HB PRO 29 HB2 PRO 29 -29.181 6.593 8.107 262 1HG PRO 29 HG1 PRO 29 -26.286 6.990 8.118 263 2HG PRO 29 HG2 PRO 29 -27.409 7.176 6.769 264 1HD PRO 29 HD1 PRO 29 -26.781 5.171 5.896 265 2HD PRO 29 HD2 PRO 29 -25.521 5.068 7.137 266 OH TYR 30 OH TYR 30 -31.071 9.090 3.004 267 H TYR 30 HN TYR 30 -29.303 4.309 6.207 268 HA TYR 30 HA TYR 30 -32.106 4.363 6.814 269 1HB TYR 30 HB1 TYR 30 -32.319 3.279 4.504 270 2HB TYR 30 HB2 TYR 30 -30.567 3.154 4.462 271 HD1 TYR 30 HD1 TYR 30 -33.247 5.700 5.068 272 HD2 TYR 30 HD2 TYR 30 -29.346 4.941 3.546 273 HE1 TYR 30 HE1 TYR 30 -33.109 8.011 4.264 274 HE2 TYR 30 HE2 TYR 30 -29.210 7.252 2.746 275 HH TYR 30 HH TYR 30 -30.900 9.069 2.059 276 H HIS 31 HN HIS 31 -32.064 2.929 8.702 277 HA HIS 31 HA HIS 31 -31.743 0.042 8.129 278 1HB HIS 31 HB1 HIS 31 -32.544 0.056 10.692 279 2HB HIS 31 HB2 HIS 31 -32.122 1.762 10.594 280 HD1 HIS 31 HD1 HIS 31 -30.591 -1.501 10.770 281 HD2 HIS 31 HD2 HIS 31 -29.344 2.286 10.012 282 HE1 HIS 31 HE1 HIS 31 -28.173 -1.588 10.969 283 H CYS 32 HN CYS 32 -33.417 -1.391 7.977 284 HA CYS 32 HA CYS 32 -36.020 -0.425 7.326 285 1HB CYS 32 HB1 CYS 32 -34.863 -3.123 8.061 286 2HB CYS 32 HB2 CYS 32 -35.448 -2.585 6.508 287 H THR 33 HN THR 33 -37.941 -0.401 8.510 288 HA THR 33 HA THR 33 -37.581 0.004 11.381 289 HB THR 33 HB THR 33 -40.055 0.085 9.556 290 HG1 THR 33 HG1 THR 33 -38.756 1.798 9.229 291 1HG2 THR 33 HG21 THR 33 -39.678 0.401 12.548 292 2HG2 THR 33 HG22 THR 33 -41.110 -0.141 11.679 293 3HG2 THR 33 HG23 THR 33 -40.714 1.574 11.741 294 OH TYR 34 OH TYR 34 -43.989 -1.468 9.102 295 H TYR 34 HN TYR 34 -37.475 -2.741 9.899 296 HA TYR 34 HA TYR 34 -38.982 -4.165 12.036 297 1HB TYR 34 HB1 TYR 34 -39.847 -5.796 10.394 298 2HB TYR 34 HB2 TYR 34 -38.983 -4.996 9.092 299 HD1 TYR 34 HD2 TYR 34 -39.611 -2.501 8.631 300 HD2 TYR 34 HD1 TYR 34 -42.044 -5.121 10.935 301 HE1 TYR 34 HE2 TYR 34 -41.555 -1.073 8.202 302 HE2 TYR 34 HE1 TYR 34 -43.984 -3.682 10.511 303 HH TYR 34 HH TYR 34 -43.799 -0.930 8.330 304 H CYS 35 HN CYS 35 -37.090 -5.100 9.174 305 HA CYS 35 HA CYS 35 -35.719 -7.216 10.544 306 1HB CYS 35 HB1 CYS 35 -34.349 -7.346 8.556 307 2HB CYS 35 HB2 CYS 35 -34.678 -5.689 8.140 308 H ASN 36 HN ASN 36 -33.090 -6.828 9.727 309 HA ASN 36 HA ASN 36 -32.179 -4.626 11.534 310 1HB ASN 36 HB1 ASN 36 -30.975 -7.409 11.102 311 2HB ASN 36 HB2 ASN 36 -31.817 -6.876 12.554 312 1HD2 ASN 36 HD21 ASN 36 -30.543 -4.108 12.209 313 2HD2 ASN 36 HD22 ASN 36 -28.958 -4.302 12.785 314 H PHE 37 HN PHE 37 -32.372 -5.569 8.439 315 HA PHE 37 HA PHE 37 -29.634 -5.012 7.602 316 1HB PHE 37 HB1 PHE 37 -31.938 -4.903 5.673 317 2HB PHE 37 HB2 PHE 37 -31.627 -6.449 6.466 318 HD1 PHE 37 HD2 PHE 37 -28.997 -7.069 6.571 319 HD2 PHE 37 HD1 PHE 37 -30.788 -4.501 3.686 320 HE1 PHE 37 HE2 PHE 37 -27.102 -7.446 5.057 321 HE2 PHE 37 HE1 PHE 37 -28.890 -4.883 2.172 322 HZ PHE 37 HZ PHE 37 -27.047 -6.355 2.858 323 H SER 38 HN SER 38 -29.154 -3.282 6.073 324 HA SER 38 HA SER 38 -30.967 -0.970 6.119 325 1HB SER 38 HB1 SER 38 -28.143 -0.730 7.258 326 2HB SER 38 HB2 SER 38 -29.589 -0.887 8.270 327 HG SER 38 HG1 SER 38 -29.691 1.204 7.959 328 H PHE 39 HN PHE 39 -29.913 0.919 4.966 329 HA PHE 39 HA PHE 39 -27.993 -0.021 2.893 330 1HB PHE 39 HB1 PHE 39 -29.417 0.818 1.154 331 2HB PHE 39 HB2 PHE 39 -30.426 1.696 2.304 332 HD1 PHE 39 HD2 PHE 39 -31.881 0.403 3.909 333 HD2 PHE 39 HD1 PHE 39 -29.814 -1.530 0.721 334 HE1 PHE 39 HE2 PHE 39 -33.281 -1.593 4.207 335 HE2 PHE 39 HE1 PHE 39 -31.229 -3.517 1.018 336 HZ PHE 39 HZ PHE 39 -32.961 -3.550 2.765 337 H LYS 40 HN LYS 40 -27.135 1.838 1.605 338 HA LYS 40 HA LYS 40 -26.421 4.007 3.475 339 1HB LYS 40 HB1 LYS 40 -25.444 3.262 0.671 340 2HB LYS 40 HB2 LYS 40 -24.644 2.867 2.174 341 1HG LYS 40 HG1 LYS 40 -25.107 5.707 1.183 342 2HG LYS 40 HG2 LYS 40 -23.597 4.828 1.032 343 1HD LYS 40 HD1 LYS 40 -23.778 4.496 3.604 344 2HD LYS 40 HD2 LYS 40 -24.943 5.810 3.542 345 1HE LYS 40 HE1 LYS 40 -22.019 5.853 2.808 346 2HE LYS 40 HE2 LYS 40 -22.889 6.919 3.902 347 1HZ LYS 40 HZ1 LYS 40 -23.902 8.025 2.135 348 2HZ LYS 40 HZ2 LYS 40 -23.492 6.819 1.012 349 3HZ LYS 40 HZ3 LYS 40 -22.287 7.834 1.646 350 H THR 41 HN THR 41 -28.404 3.446 0.706 351 HA THR 41 HA THR 41 -28.982 6.382 0.560 352 HB THR 41 HB THR 41 -29.223 6.171 -1.845 353 HG1 THR 41 HG1 THR 41 -29.847 4.285 -2.658 354 1HG2 THR 41 HG21 THR 41 -26.785 5.654 -0.959 355 2HG2 THR 41 HG22 THR 41 -27.157 5.094 -2.586 356 3HG2 THR 41 HG23 THR 41 -27.186 3.961 -1.239 357 H LYS 42 HN LYS 42 -31.133 6.942 -0.069 358 HA LYS 42 HA LYS 42 -33.097 5.355 1.296 359 1HB LYS 42 HB1 LYS 42 -33.414 7.750 -0.580 360 2HB LYS 42 HB2 LYS 42 -33.194 7.860 1.159 361 1HG LYS 42 HG1 LYS 42 -35.539 6.521 -0.240 362 2HG LYS 42 HG2 LYS 42 -35.582 8.082 0.565 363 1HD LYS 42 HD1 LYS 42 -34.586 6.620 2.588 364 2HD LYS 42 HD2 LYS 42 -35.464 5.345 1.749 365 1HE LYS 42 HE1 LYS 42 -36.923 6.434 3.407 366 2HE LYS 42 HE2 LYS 42 -37.510 6.751 1.779 367 1HZ LYS 42 HZ1 LYS 42 -37.287 8.905 2.113 368 2HZ LYS 42 HZ2 LYS 42 -35.649 8.731 2.525 369 3HZ LYS 42 HZ3 LYS 42 -36.843 8.601 3.724 370 H GLY 43 HN GLY 43 -31.919 5.509 -1.927 371 1HA GLY 43 HA1 GLY 43 -32.530 4.300 -3.849 372 2HA GLY 43 HA2 GLY 43 -34.199 4.603 -3.371 373 H ASN 44 HN ASN 44 -31.423 2.529 -2.607 374 HA ASN 44 HA ASN 44 -32.623 0.069 -2.955 375 1HB ASN 44 HB1 ASN 44 -30.996 -0.741 -1.144 376 2HB ASN 44 HB2 ASN 44 -30.632 0.948 -0.818 377 1HD2 ASN 44 HD21 ASN 44 -31.311 -0.084 -4.125 378 2HD2 ASN 44 HD22 ASN 44 -29.722 0.073 -4.692 379 H LEU 45 HN LEU 45 -32.670 2.018 0.015 380 HA LEU 45 HA LEU 45 -34.020 0.259 1.704 381 1HB LEU 45 HB1 LEU 45 -34.367 3.291 1.379 382 2HB LEU 45 HB2 LEU 45 -33.222 2.490 2.433 383 HG LEU 45 HG LEU 45 -34.997 3.159 3.873 384 1HD1 LEU 45 HD11 LEU 45 -37.191 3.376 3.293 385 2HD1 LEU 45 HD12 LEU 45 -37.255 1.800 2.519 386 3HD1 LEU 45 HD13 LEU 45 -36.620 3.182 1.643 387 1HD2 LEU 45 HD21 LEU 45 -34.226 0.723 4.028 388 2HD2 LEU 45 HD22 LEU 45 -35.734 0.286 3.241 389 3HD2 LEU 45 HD23 LEU 45 -35.762 1.100 4.799 390 H THR 46 HN THR 46 -35.421 2.484 -0.679 391 HA THR 46 HA THR 46 -38.150 1.868 -0.160 392 HB THR 46 HB THR 46 -36.900 2.575 -2.885 393 HG1 THR 46 HG1 THR 46 -37.587 4.030 -0.547 394 1HG2 THR 46 HG21 THR 46 -39.553 3.422 -1.602 395 2HG2 THR 46 HG22 THR 46 -39.453 2.040 -2.687 396 3HG2 THR 46 HG23 THR 46 -39.070 3.652 -3.279 397 H LYS 47 HN LYS 47 -35.779 0.345 -2.297 398 HA LYS 47 HA LYS 47 -37.585 -1.451 -3.581 399 1HB LYS 47 HB1 LYS 47 -34.636 -1.865 -2.876 400 2HB LYS 47 HB2 LYS 47 -35.218 -1.042 -4.318 401 1HG LYS 47 HG1 LYS 47 -36.570 -3.247 -4.730 402 2HG LYS 47 HG2 LYS 47 -35.427 -3.962 -3.598 403 1HD LYS 47 HD1 LYS 47 -33.618 -2.782 -5.093 404 2HD LYS 47 HD2 LYS 47 -34.898 -2.743 -6.300 405 1HE LYS 47 HE1 LYS 47 -34.052 -4.827 -6.795 406 2HE LYS 47 HE2 LYS 47 -35.149 -5.307 -5.507 407 1HZ LYS 47 HZ1 LYS 47 -33.342 -6.180 -4.584 408 2HZ LYS 47 HZ2 LYS 47 -32.930 -4.589 -4.157 409 3HZ LYS 47 HZ3 LYS 47 -32.276 -5.287 -5.560 410 H HIS 48 HN HIS 48 -35.966 -1.576 -0.473 411 HA HIS 48 HA HIS 48 -36.555 -4.377 -0.008 412 1HB HIS 48 HB1 HIS 48 -35.886 -2.084 1.908 413 2HB HIS 48 HB2 HIS 48 -34.751 -3.257 1.251 414 HD1 HIS 48 HD1 HIS 48 -35.532 -5.810 1.939 415 HD2 HIS 48 HD2 HIS 48 -36.894 -2.818 4.368 416 HE1 HIS 48 HE1 HIS 48 -36.179 -6.911 4.025 417 H MET 49 HN MET 49 -38.131 -1.327 0.872 418 HA MET 49 HA MET 49 -40.193 -2.601 2.452 419 1HB MET 49 HB1 MET 49 -41.362 -0.350 2.122 420 2HB MET 49 HB2 MET 49 -40.042 0.115 1.055 421 1HG MET 49 HG1 MET 49 -39.510 0.971 3.213 422 2HG MET 49 HG2 MET 49 -38.449 -0.380 2.918 423 1HE MET 49 HE1 MET 49 -38.660 -0.423 6.704 424 2HE MET 49 HE2 MET 49 -38.649 0.982 5.639 425 3HE MET 49 HE3 MET 49 -37.638 -0.415 5.267 426 H LYS 50 HN LYS 50 -39.839 -1.742 -0.924 427 HA LYS 50 HA LYS 50 -42.449 -1.888 -1.869 428 1HB LYS 50 HB1 LYS 50 -40.108 -3.322 -3.201 429 2HB LYS 50 HB2 LYS 50 -40.249 -1.568 -3.190 430 1HG LYS 50 HG1 LYS 50 -42.258 -1.613 -4.462 431 2HG LYS 50 HG2 LYS 50 -42.510 -3.327 -4.153 432 1HD LYS 50 HD1 LYS 50 -39.944 -2.628 -5.472 433 2HD LYS 50 HD2 LYS 50 -41.389 -2.370 -6.442 434 1HE LYS 50 HE1 LYS 50 -40.508 -4.663 -6.750 435 2HE LYS 50 HE2 LYS 50 -42.104 -4.694 -6.012 436 1HZ LYS 50 HZ1 LYS 50 -40.549 -6.198 -4.922 437 2HZ LYS 50 HZ2 LYS 50 -41.095 -4.989 -3.861 438 3HZ LYS 50 HZ3 LYS 50 -39.539 -4.889 -4.535 439 H SER 51 HN SER 51 -40.237 -4.664 -1.497 440 HA SER 51 HA SER 51 -41.940 -6.723 -2.255 441 1HB SER 51 HB1 SER 51 -40.049 -6.718 0.165 442 2HB SER 51 HB2 SER 51 -39.578 -7.094 -1.504 443 HG SER 51 HG1 SER 51 -40.162 -8.971 -0.265 444 H LYS 52 HN LYS 52 -43.505 -7.974 -1.247 445 HA LYS 52 HA LYS 52 -45.160 -6.552 0.663 446 1HB LYS 52 HB1 LYS 52 -46.672 -7.945 -0.343 447 2HB LYS 52 HB2 LYS 52 -45.980 -9.279 0.570 448 1HG LYS 52 HG1 LYS 52 -44.287 -9.604 -1.229 449 2HG LYS 52 HG2 LYS 52 -45.045 -8.309 -2.152 450 1HD LYS 52 HD1 LYS 52 -47.181 -9.582 -2.150 451 2HD LYS 52 HD2 LYS 52 -46.389 -10.887 -1.275 452 1HE LYS 52 HE1 LYS 52 -44.836 -11.245 -3.122 453 2HE LYS 52 HE2 LYS 52 -45.479 -9.849 -3.978 454 1HZ LYS 52 HZ1 LYS 52 -46.512 -11.685 -4.935 455 2HZ LYS 52 HZ2 LYS 52 -47.685 -11.052 -3.883 456 3HZ LYS 52 HZ3 LYS 52 -46.802 -12.433 -3.438 457 H ALA 53 HN ALA 53 -42.347 -7.672 1.331 458 HA ALA 53 HA ALA 53 -42.536 -9.685 3.284 459 1HB ALA 53 HB1 ALA 53 -40.471 -8.645 4.249 460 2HB ALA 53 HB2 ALA 53 -40.771 -7.184 3.312 461 3HB ALA 53 HB3 ALA 53 -40.381 -8.692 2.491 462 H HIS 54 HN HIS 54 -42.357 -6.200 4.039 463 HA HIS 54 HA HIS 54 -44.607 -6.349 5.843 464 1HB HIS 54 HB1 HIS 54 -43.167 -7.411 7.388 465 2HB HIS 54 HB2 HIS 54 -43.004 -5.721 7.845 466 HD1 HIS 54 HD1 HIS 54 -41.115 -8.461 6.336 467 HD2 HIS 54 HD2 HIS 54 -40.509 -4.489 7.087 468 HE1 HIS 54 HE1 HIS 54 -38.702 -8.108 6.101 469 H SER 55 HN SER 55 -45.343 -4.496 4.908 470 HA SER 55 HA SER 55 -43.929 -2.032 5.733 471 1HB SER 55 HB1 SER 55 -43.078 -2.328 3.456 472 2HB SER 55 HB2 SER 55 -44.378 -1.128 3.319 473 HG SER 55 HG1 SER 55 -44.449 -3.904 2.791 474 H LYS 56 HN LYS 56 -46.316 -1.902 3.238 475 HA LYS 56 HA LYS 56 -48.153 -0.583 5.140 476 1HB LYS 56 HB1 LYS 56 -49.409 0.003 3.031 477 2HB LYS 56 HB2 LYS 56 -48.255 -0.948 2.105 478 1HG LYS 56 HG1 LYS 56 -46.449 0.521 2.665 479 2HG LYS 56 HG2 LYS 56 -47.392 1.319 3.917 480 1HD LYS 56 HD1 LYS 56 -48.641 1.372 1.241 481 2HD LYS 56 HD2 LYS 56 -47.123 2.256 1.348 482 1HE LYS 56 HE1 LYS 56 -49.487 2.603 3.223 483 2HE LYS 56 HE2 LYS 56 -49.060 3.702 1.918 484 1HZ LYS 56 HZ1 LYS 56 -47.823 3.334 4.513 485 2HZ LYS 56 HZ2 LYS 56 -47.951 4.729 3.554 486 3HZ LYS 56 HZ3 LYS 56 -46.753 3.575 3.217 487 H LYS 57 HN LYS 57 -49.761 -1.905 2.502 488 HA LYS 57 HA LYS 57 -51.540 -3.418 4.100 489 1HB LYS 57 HB1 LYS 57 -52.294 -4.367 1.871 490 2HB LYS 57 HB2 LYS 57 -50.908 -3.582 1.117 491 1HG LYS 57 HG1 LYS 57 -51.724 -1.398 1.674 492 2HG LYS 57 HG2 LYS 57 -52.932 -2.054 2.773 493 1HD LYS 57 HD1 LYS 57 -53.953 -1.385 0.615 494 2HD LYS 57 HD2 LYS 57 -54.094 -3.120 0.873 495 1HE LYS 57 HE1 LYS 57 -52.519 -3.629 -0.757 496 2HE LYS 57 HE2 LYS 57 -51.671 -2.101 -0.563 497 1HZ LYS 57 HZ1 LYS 57 -53.120 -1.011 -1.912 498 2HZ LYS 57 HZ2 LYS 57 -54.415 -2.057 -1.581 499 3HZ LYS 57 LYS 57 -53.171 -2.550 -2.627 Start of MODEL 19 Raw file had 499 H/Q atoms Start of MODEL 19 1 1H LYS 1 HT1 LYS 1 -7.522 -2.520 -11.179 2 2H LYS 1 HT2 LYS 1 -7.279 -3.062 -9.589 3 3H LYS 1 HT3 LYS 1 -8.036 -1.569 -9.869 4 HA LYS 1 HA LYS 1 -9.639 -3.167 -11.259 5 1HB LYS 1 HB1 LYS 1 -10.025 -5.197 -9.940 6 2HB LYS 1 HB2 LYS 1 -8.843 -4.699 -8.736 7 1HG LYS 1 HG1 LYS 1 -7.044 -4.851 -10.408 8 2HG LYS 1 HG2 LYS 1 -8.214 -5.285 -11.649 9 1HD LYS 1 HD1 LYS 1 -8.185 -6.921 -9.146 10 2HD LYS 1 HD2 LYS 1 -6.863 -7.154 -10.284 11 1HE LYS 1 HE1 LYS 1 -9.701 -7.101 -11.287 12 2HE LYS 1 HE2 LYS 1 -9.063 -8.571 -10.558 13 1HZ LYS 1 HZ1 LYS 1 -8.655 -7.597 -13.146 14 2HZ LYS 1 HZ2 LYS 1 -8.060 -9.029 -12.451 15 3HZ LYS 1 HZ3 LYS 1 -7.157 -7.595 -12.347 16 OH TYR 2 OH TYR 2 -7.602 2.325 -8.920 17 H TYR 2 HN TYR 2 -11.714 -2.845 -10.562 18 HA TYR 2 HA TYR 2 -12.129 -1.828 -7.809 19 1HB TYR 2 HB1 TYR 2 -13.335 0.168 -8.685 20 2HB TYR 2 HB2 TYR 2 -12.953 -0.314 -10.335 21 HD1 TYR 2 HD2 TYR 2 -11.386 0.642 -7.092 22 HD2 TYR 2 HD1 TYR 2 -10.860 0.266 -11.295 23 HE1 TYR 2 HE2 TYR 2 -9.227 1.790 -6.924 24 HE2 TYR 2 HE1 TYR 2 -8.699 1.411 -11.127 25 HH TYR 2 HH TYR 2 -6.931 1.750 -9.292 26 H ILE 3 HN ILE 3 -12.928 -4.254 -8.819 27 HA ILE 3 HA ILE 3 -15.848 -3.904 -9.331 28 HB ILE 3 HB ILE 3 -14.243 -6.478 -9.581 29 1HG1 ILE 3 HG11 ILE 3 -13.110 -4.832 -10.978 30 2HG1 ILE 3 HG12 ILE 3 -14.642 -4.296 -11.657 31 1HG2 ILE 3 HG21 ILE 3 -16.643 -5.531 -11.203 32 2HG2 ILE 3 HG22 ILE 3 -16.868 -6.281 -9.626 33 3HG2 ILE 3 HG23 ILE 3 -16.104 -7.185 -10.928 34 1HD1 ILE 3 HD1 ILE 3 -13.236 -6.005 -13.028 35 2HD1 ILE 3 HD2 ILE 3 -14.959 -6.320 -12.844 36 3HD1 ILE 3 HD3 ILE 3 -13.794 -7.189 -11.851 37 H CYS 4 HN CYS 4 -16.868 -3.857 -7.378 38 HA CYS 4 HA CYS 4 -15.954 -4.999 -4.996 39 1HB CYS 4 HB1 CYS 4 -18.737 -4.493 -6.035 40 2HB CYS 4 HB2 CYS 4 -17.851 -3.573 -4.855 41 H GLU 5 HN GLU 5 -15.609 -6.980 -4.387 42 HA GLU 5 HA GLU 5 -16.182 -9.237 -6.029 43 1HB GLU 5 HB1 GLU 5 -15.378 -10.538 -4.023 44 2HB GLU 5 HB2 GLU 5 -15.415 -9.053 -3.080 45 1HG GLU 5 HG1 GLU 5 -13.835 -9.293 -5.654 46 2HG GLU 5 HG2 GLU 5 -13.141 -9.680 -4.082 47 H GLU 6 HN GLU 6 -18.126 -7.591 -3.746 48 HA GLU 6 HA GLU 6 -19.797 -9.948 -3.247 49 1HB GLU 6 HB1 GLU 6 -20.359 -7.107 -2.337 50 2HB GLU 6 HB2 GLU 6 -19.200 -8.126 -1.493 51 1HG GLU 6 HG1 GLU 6 -20.926 -9.808 -1.073 52 2HG GLU 6 HG2 GLU 6 -22.091 -8.889 -2.020 53 H CYS 7 HN CYS 7 -20.653 -6.607 -4.098 54 HA CYS 7 HA CYS 7 -23.059 -7.512 -5.439 55 1HB CYS 7 HB1 CYS 7 -23.520 -5.223 -5.772 56 2HB CYS 7 HB2 CYS 7 -21.837 -4.790 -5.830 57 H GLY 8 HN GLY 8 -19.943 -6.189 -6.515 58 1HA GLY 8 HA1 GLY 8 -20.514 -7.316 -9.216 59 2HA GLY 8 HA2 GLY 8 -18.909 -6.978 -8.584 60 H ILE 9 HN ILE 9 -20.264 -4.361 -7.520 61 HA ILE 9 HA ILE 9 -21.020 -2.809 -9.750 62 HB ILE 9 HB ILE 9 -21.094 -2.252 -7.185 63 1HG1 ILE 9 HG11 ILE 9 -20.670 -0.446 -9.513 64 2HG1 ILE 9 HG12 ILE 9 -20.569 0.293 -7.919 65 1HG2 ILE 9 HG21 ILE 9 -18.492 -2.444 -7.071 66 2HG2 ILE 9 HG22 ILE 9 -19.196 -1.036 -6.309 67 3HG2 ILE 9 HG23 ILE 9 -18.447 -0.888 -7.885 68 1HD1 ILE 9 HD1 ILE 9 -22.775 -0.595 -7.327 69 2HD1 ILE 9 HD2 ILE 9 -22.868 -1.456 -8.860 70 3HD1 ILE 9 HD3 ILE 9 -22.901 0.304 -8.836 71 NH1 ARG 10 NH1 ARG 10 -16.823 -4.029 -17.818 72 NH2 ARG 10 NH2 ARG 10 -14.659 -3.348 -18.077 73 H ARG 10 HN ARG 10 -19.921 -2.055 -11.432 74 HA ARG 10 HA ARG 10 -16.961 -2.326 -11.392 75 1HB ARG 10 HB1 ARG 10 -18.871 -1.760 -13.709 76 2HB ARG 10 HB2 ARG 10 -18.316 -3.364 -13.252 77 1HG ARG 10 HG1 ARG 10 -15.917 -2.185 -13.460 78 2HG ARG 10 HG2 ARG 10 -16.804 -1.130 -14.550 79 1HD ARG 10 HD1 ARG 10 -17.706 -3.387 -15.563 80 2HD ARG 10 HD2 ARG 10 -16.283 -4.084 -14.790 81 HE ARG 10 HE ARG 10 -15.367 -1.835 -16.203 82 1HH1 ARG 10 HH11 ARG 10 -17.668 -4.013 -17.283 83 2HH1 ARG 10 HH12 ARG 10 -16.779 -4.558 -18.665 84 1HH2 ARG 10 HH21 ARG 10 -13.880 -2.822 -17.736 85 2HH2 ARG 10 HH22 ARG 10 -14.577 -3.866 -18.929 86 H ABA 11 HN ABU 11 -16.198 -0.494 -10.416 87 HA ABA 11 HA ABU 11 -16.920 2.110 -11.733 88 1HB ABA 11 HB1 ABU 11 -16.464 3.197 -9.579 89 2HB ABA 11 HB2 ABU 11 -15.922 1.692 -8.877 90 1HG ABA 11 HG1 ABU 11 -18.141 1.885 -8.088 91 2HG ABA 11 HG2 ABU 11 -18.308 0.816 -9.474 92 3HG ABA 11 HG3 ABU 11 -18.724 2.516 -9.624 93 H LYS 12 HN LYS 12 -15.251 1.811 -13.241 94 HA LYS 12 HA LYS 12 -12.616 1.131 -12.890 95 1HB LYS 12 HB1 LYS 12 -12.193 3.044 -14.649 96 2HB LYS 12 HB2 LYS 12 -13.937 3.269 -14.582 97 1HG LYS 12 HG1 LYS 12 -13.884 1.659 -16.235 98 2HG LYS 12 HG2 LYS 12 -13.877 0.590 -14.839 99 1HD LYS 12 HD1 LYS 12 -12.069 -0.150 -16.236 100 2HD LYS 12 HD2 LYS 12 -11.328 0.712 -14.895 101 1HE LYS 12 HE1 LYS 12 -10.340 2.121 -16.356 102 2HE LYS 12 HE2 LYS 12 -11.918 2.641 -16.929 103 1HZ LYS 12 HZ1 LYS 12 -11.007 1.810 -18.825 104 2HZ LYS 12 HZ2 LYS 12 -11.799 0.423 -18.250 105 3HZ LYS 12 HZ3 LYS 12 -10.125 0.600 -18.025 106 H LYS 13 HN LYS 13 -14.151 3.944 -11.552 107 HA LYS 13 HA LYS 13 -11.515 5.151 -10.969 108 1HB LYS 13 HB1 LYS 13 -12.923 7.074 -10.109 109 2HB LYS 13 HB2 LYS 13 -14.357 6.146 -10.531 110 1HG LYS 13 HG1 LYS 13 -13.335 5.974 -12.895 111 2HG LYS 13 HG2 LYS 13 -12.238 7.251 -12.385 112 1HD LYS 13 HD1 LYS 13 -15.272 7.402 -12.343 113 2HD LYS 13 HD2 LYS 13 -14.223 8.206 -13.503 114 1HE LYS 13 HE1 LYS 13 -14.467 9.933 -11.985 115 2HE LYS 13 HE2 LYS 13 -13.082 9.126 -11.260 116 1HZ LYS 13 HZ1 LYS 13 -15.825 9.282 -10.344 117 2HZ LYS 13 HZ2 LYS 13 -14.383 9.155 -9.456 118 3HZ LYS 13 HZ3 LYS 13 -15.077 7.769 -10.153 119 HA PRO 14 HA PRO 14 -11.484 3.546 -6.801 120 1HB PRO 14 HB1 PRO 14 -9.395 4.324 -6.198 121 2HB PRO 14 HB2 PRO 14 -10.165 5.800 -5.618 122 1HG PRO 14 HG1 PRO 14 -8.405 5.595 -7.837 123 2HG PRO 14 HG2 PRO 14 -9.391 6.998 -7.419 124 1HD PRO 14 HD1 PRO 14 -10.591 6.623 -9.337 125 2HD PRO 14 HD2 PRO 14 -9.754 5.081 -9.594 126 H SER 15 HN SER 15 -11.632 7.089 -6.488 127 HA SER 15 HA SER 15 -13.085 7.535 -4.279 128 1HB SER 15 HB1 SER 15 -12.545 9.272 -6.079 129 2HB SER 15 HB2 SER 15 -14.184 9.458 -5.424 130 HG SER 15 HG1 SER 15 -15.015 8.644 -7.213 131 H MET 16 HN MET 16 -14.669 6.556 -7.311 132 HA MET 16 HA MET 16 -17.284 6.388 -6.157 133 1HB MET 16 HB1 MET 16 -17.574 4.736 -8.206 134 2HB MET 16 HB2 MET 16 -15.930 5.225 -8.609 135 1HG MET 16 HG1 MET 16 -16.635 7.591 -8.537 136 2HG MET 16 HG2 MET 16 -18.267 7.089 -8.183 137 1HE MET 16 HE1 MET 16 -18.832 8.726 -11.421 138 2HE MET 16 HE2 MET 16 -18.609 8.895 -9.680 139 3HE MET 16 HE3 MET 16 -19.893 7.861 -10.308 140 H LEU 17 HN LEU 17 -14.808 3.890 -6.783 141 HA LEU 17 HA LEU 17 -16.377 1.789 -5.591 142 1HB LEU 17 HB1 LEU 17 -13.342 1.827 -5.753 143 2HB LEU 17 HB2 LEU 17 -14.303 1.649 -7.200 144 HG LEU 17 HG LEU 17 -13.529 -0.548 -6.212 145 1HD1 LEU 17 HD11 LEU 17 -14.399 -1.366 -4.161 146 2HD1 LEU 17 HD12 LEU 17 -15.554 -0.055 -4.025 147 3HD1 LEU 17 HD13 LEU 17 -13.838 0.261 -3.812 148 1HD2 LEU 17 HD21 LEU 17 -15.514 -1.715 -6.700 149 2HD2 LEU 17 HD22 LEU 17 -15.714 -0.211 -7.580 150 3HD2 LEU 17 HD23 LEU 17 -16.546 -0.449 -6.055 151 H LYS 18 HN LYS 18 -13.437 3.440 -4.468 152 HA LYS 18 HA LYS 18 -13.038 2.550 -1.965 153 1HB LYS 18 HB1 LYS 18 -12.598 4.995 -1.289 154 2HB LYS 18 HB2 LYS 18 -13.225 5.451 -2.869 155 1HG LYS 18 HG1 LYS 18 -11.524 4.060 -3.973 156 2HG LYS 18 HG2 LYS 18 -10.910 3.538 -2.411 157 1HD LYS 18 HD1 LYS 18 -10.984 6.422 -3.371 158 2HD LYS 18 HD2 LYS 18 -9.555 5.395 -3.396 159 1HE LYS 18 HE1 LYS 18 -10.211 5.070 -0.814 160 2HE LYS 18 HE2 LYS 18 -10.949 6.645 -1.066 161 1HZ LYS 18 HZ1 LYS 18 -8.125 5.871 -1.248 162 2HZ LYS 18 HZ2 LYS 18 -8.832 7.190 -0.444 163 3HZ LYS 18 HZ3 LYS 18 -8.689 7.204 -2.137 164 H LYS 19 HN LYS 19 -15.646 4.818 -2.782 165 HA LYS 19 HA LYS 19 -16.641 4.850 -0.070 166 1HB LYS 19 HB1 LYS 19 -18.658 5.968 -1.212 167 2HB LYS 19 HB2 LYS 19 -17.833 5.726 -2.745 168 1HG LYS 19 HG1 LYS 19 -16.331 7.411 -2.349 169 2HG LYS 19 HG2 LYS 19 -16.164 7.009 -0.650 170 1HD LYS 19 HD1 LYS 19 -17.229 9.194 -0.857 171 2HD LYS 19 HD2 LYS 19 -18.401 8.047 -0.224 172 1HE LYS 19 HE1 LYS 19 -19.761 8.454 -1.977 173 2HE LYS 19 HE2 LYS 19 -18.497 7.946 -3.089 174 1HZ LYS 19 HZ1 LYS 19 -19.254 10.231 -3.467 175 2HZ LYS 19 HZ2 LYS 19 -17.599 10.148 -3.095 176 3HZ LYS 19 HZ3 LYS 19 -18.711 10.660 -1.916 177 H HIS 20 HN HIS 20 -17.499 3.187 -3.059 178 HA HIS 20 HA HIS 20 -19.892 1.962 -2.182 179 1HB HIS 20 HB1 HIS 20 -17.712 0.857 -3.999 180 2HB HIS 20 HB2 HIS 20 -19.089 1.815 -4.537 181 HD1 HIS 20 HD1 HIS 20 -21.072 0.391 -5.072 182 HD2 HIS 20 HD2 HIS 20 -18.448 -1.647 -2.726 183 HE1 HIS 20 HE1 HIS 20 -22.004 -1.863 -4.860 184 H ILE 21 HN ILE 21 -16.581 0.662 -2.153 185 HA ILE 21 HA ILE 21 -17.234 -1.708 -0.750 186 HB ILE 21 HB ILE 21 -15.067 -1.367 -1.901 187 1HG1 ILE 21 HG11 ILE 21 -15.264 -2.314 0.875 188 2HG1 ILE 21 HG12 ILE 21 -13.642 -1.794 0.450 189 1HG2 ILE 21 HG21 ILE 21 -13.352 0.120 -0.845 190 2HG2 ILE 21 HG22 ILE 21 -14.523 0.605 0.377 191 3HG2 ILE 21 HG23 ILE 21 -14.783 1.027 -1.311 192 1HD1 ILE 21 HD1 ILE 21 -13.646 -3.252 -1.505 193 2HD1 ILE 21 HD2 ILE 21 -15.330 -3.682 -1.222 194 3HD1 ILE 21 HD3 ILE 21 -14.086 -4.202 -0.089 195 NH1 ARG 22 NH2 ARG 22 -12.942 4.658 5.150 196 NH2 ARG 22 NH1 ARG 22 -12.922 6.627 3.992 197 H ARG 22 HN ARG 22 -16.600 1.557 0.406 198 HA ARG 22 HA ARG 22 -16.340 0.798 3.188 199 1HB ARG 22 HB1 ARG 22 -17.087 3.311 3.475 200 2HB ARG 22 HB2 ARG 22 -16.992 3.377 1.720 201 1HG ARG 22 HG1 ARG 22 -14.643 2.432 1.912 202 2HG ARG 22 HG2 ARG 22 -14.767 2.671 3.651 203 1HD ARG 22 HD1 ARG 22 -15.377 5.110 3.125 204 2HD ARG 22 HD2 ARG 22 -14.844 4.779 1.477 205 HE ARG 22 HE ARG 22 -12.589 4.329 2.385 206 1HH1 ARG 22 HH21 ARG 22 -13.053 3.663 5.146 207 2HH1 ARG 22 HH22 ARG 22 -12.744 5.136 6.005 208 1HH2 ARG 22 HH11 ARG 22 -13.015 7.111 3.121 209 2HH2 ARG 22 HH12 ARG 22 -12.722 7.139 4.828 210 H THR 23 HN THR 23 -19.037 1.083 1.073 211 HA THR 23 HA THR 23 -21.024 1.627 3.108 212 HB THR 23 HB THR 23 -21.461 0.105 0.471 213 HG1 THR 23 HG1 THR 23 -20.903 2.785 1.153 214 1HG2 THR 23 HG21 THR 23 -23.114 2.103 2.122 215 2HG2 THR 23 HG22 THR 23 -23.465 0.383 1.986 216 3HG2 THR 23 HG23 THR 23 -23.618 1.428 0.577 217 H HIS 24 HN HIS 24 -19.454 -1.303 1.992 218 HA HIS 24 HA HIS 24 -21.408 -3.081 3.209 219 1HB HIS 24 HB1 HIS 24 -19.437 -4.762 2.992 220 2HB HIS 24 HB2 HIS 24 -18.518 -3.441 2.277 221 HD1 HIS 24 HD1 HIS 24 -21.849 -5.080 1.615 222 HD2 HIS 24 HD2 HIS 24 -18.810 -3.297 -0.430 223 HE1 HIS 24 HE1 HIS 24 -22.433 -5.299 -0.779 224 H THR 25 HN THR 25 -19.856 -0.832 4.724 225 HA THR 25 HA THR 25 -18.565 -2.397 6.857 226 HB THR 25 HB THR 25 -18.287 -0.010 7.833 227 HG1 THR 25 HG1 THR 25 -18.959 1.595 6.349 228 1HG2 THR 25 HG21 THR 25 -16.431 -0.641 6.386 229 2HG2 THR 25 HG22 THR 25 -17.007 0.883 5.720 230 3HG2 THR 25 HG23 THR 25 -17.467 -0.638 4.962 231 H ASP 26 HN ASP 26 -20.163 0.347 7.938 232 HA ASP 26 HA ASP 26 -22.535 -1.144 8.863 233 1HB ASP 26 HB1 ASP 26 -22.109 -0.447 11.229 234 2HB ASP 26 HB2 ASP 26 -20.595 0.305 10.733 235 H VAL 27 HN VAL 27 -21.848 1.065 7.076 236 HA VAL 27 HA VAL 27 -23.130 3.377 8.420 237 HB VAL 27 HB VAL 27 -21.072 3.788 7.125 238 1HG1 VAL 27 HG11 VAL 27 -22.602 2.668 4.762 239 2HG1 VAL 27 HG12 VAL 27 -21.302 1.846 5.603 240 3HG1 VAL 27 HG13 VAL 27 -20.971 3.326 4.719 241 1HG2 VAL 27 HG21 VAL 27 -22.932 4.946 5.166 242 2HG2 VAL 27 HG22 VAL 27 -21.859 5.757 6.303 243 3HG2 VAL 27 HG23 VAL 27 -23.441 5.198 6.833 244 NH1 ARG 28 NH2 ARG 28 -25.267 -3.812 2.569 245 NH2 ARG 28 NH1 ARG 28 -23.492 -4.019 3.994 246 H ARG 28 HN ARG 28 -24.765 1.228 7.997 247 HA ARG 28 HA ARG 28 -26.574 2.082 5.780 248 1HB ARG 28 HB1 ARG 28 -27.500 -0.317 6.209 249 2HB ARG 28 HB2 ARG 28 -26.038 -0.568 7.152 250 1HG ARG 28 HG1 ARG 28 -24.874 0.415 4.974 251 2HG ARG 28 HG2 ARG 28 -26.343 -0.169 4.202 252 1HD ARG 28 HD1 ARG 28 -25.953 -2.399 5.326 253 2HD ARG 28 HD2 ARG 28 -24.390 -1.789 5.864 254 HE ARG 28 HE ARG 28 -24.270 -1.346 3.168 255 1HH1 ARG 28 HH21 ARG 28 -25.982 -3.239 2.169 256 2HH1 ARG 28 HH22 ARG 28 -25.187 -4.772 2.300 257 1HH2 ARG 28 HH11 ARG 28 -22.877 -3.599 4.662 258 2HH2 ARG 28 HH12 ARG 28 -23.382 -4.982 3.749 259 HA PRO 29 HA PRO 29 -28.697 3.154 9.772 260 1HB PRO 29 HB1 PRO 29 -29.039 5.410 9.528 261 2HB PRO 29 HB2 PRO 29 -30.249 5.113 8.279 262 1HG PRO 29 HG1 PRO 29 -27.508 6.052 7.944 263 2HG PRO 29 HG2 PRO 29 -28.760 5.885 6.712 264 1HD PRO 29 HD1 PRO 29 -27.806 3.972 5.929 265 2HD PRO 29 HD2 PRO 29 -26.454 4.232 7.044 266 OH TYR 30 OH TYR 30 -32.488 7.149 3.779 267 H TYR 30 HN TYR 30 -30.040 2.613 6.555 268 HA TYR 30 HA TYR 30 -32.752 2.180 7.492 269 1HB TYR 30 HB1 TYR 30 -33.075 1.209 5.197 270 2HB TYR 30 HB2 TYR 30 -31.331 1.241 4.950 271 HD1 TYR 30 HD1 TYR 30 -34.162 3.507 5.882 272 HD2 TYR 30 HD2 TYR 30 -30.352 3.166 4.022 273 HE1 TYR 30 HE1 TYR 30 -34.302 5.847 5.165 274 HE2 TYR 30 HE2 TYR 30 -30.492 5.507 3.306 275 HH TYR 30 HH TYR 30 -32.639 7.157 2.831 276 H HIS 31 HN HIS 31 -33.407 0.512 8.688 277 HA HIS 31 HA HIS 31 -32.100 -2.153 8.265 278 1HB HIS 31 HB1 HIS 31 -32.393 -2.555 10.709 279 2HB HIS 31 HB2 HIS 31 -33.106 -0.954 10.887 280 HD1 HIS 31 HD1 HIS 31 -29.878 -2.413 9.784 281 HD2 HIS 31 HD2 HIS 31 -31.294 1.045 11.363 282 HE1 HIS 31 HE1 HIS 31 -27.901 -1.083 10.245 283 H CYS 32 HN CYS 32 -33.424 -3.938 8.175 284 HA CYS 32 HA CYS 32 -36.198 -3.480 7.566 285 1HB CYS 32 HB1 CYS 32 -34.539 -5.948 8.169 286 2HB CYS 32 HB2 CYS 32 -35.195 -5.442 6.634 287 H THR 33 HN THR 33 -38.053 -4.080 8.739 288 HA THR 33 HA THR 33 -37.790 -3.613 11.608 289 HB THR 33 HB THR 33 -40.279 -4.420 9.977 290 HG1 THR 33 HG1 THR 33 -40.166 -2.436 9.286 291 1HG2 THR 33 HG21 THR 33 -39.787 -3.055 12.681 292 2HG2 THR 33 HG22 THR 33 -40.807 -4.457 12.375 293 3HG2 THR 33 HG23 THR 33 -41.308 -2.865 11.816 294 OH TYR 34 OH TYR 34 -43.737 -6.820 10.433 295 H TYR 34 HN TYR 34 -36.969 -6.187 10.006 296 HA TYR 34 HA TYR 34 -37.818 -8.022 12.177 297 1HB TYR 34 HB1 TYR 34 -38.373 -9.789 10.494 298 2HB TYR 34 HB2 TYR 34 -38.026 -8.661 9.191 299 HD1 TYR 34 HD2 TYR 34 -39.500 -6.672 8.845 300 HD2 TYR 34 HD1 TYR 34 -40.453 -9.655 11.724 301 HE1 TYR 34 HE2 TYR 34 -41.809 -5.850 8.935 302 HE2 TYR 34 HE1 TYR 34 -42.760 -8.830 11.814 303 HH TYR 34 HH TYR 34 -44.276 -7.389 9.878 304 H CYS 35 HN CYS 35 -36.119 -8.314 9.065 305 HA CYS 35 HA CYS 35 -34.103 -10.071 10.081 306 1HB CYS 35 HB1 CYS 35 -32.948 -9.640 7.988 307 2HB CYS 35 HB2 CYS 35 -33.778 -8.128 7.771 308 H ASN 36 HN ASN 36 -31.764 -9.548 10.024 309 HA ASN 36 HA ASN 36 -31.313 -7.039 11.552 310 1HB ASN 36 HB1 ASN 36 -29.219 -9.187 11.083 311 2HB ASN 36 HB2 ASN 36 -30.523 -9.504 12.225 312 1HD2 ASN 36 HD21 ASN 36 -28.381 -9.485 13.652 313 2HD2 ASN 36 HD22 ASN 36 -27.998 -7.992 14.362 314 H PHE 37 HN PHE 37 -31.491 -7.745 8.505 315 HA PHE 37 HA PHE 37 -28.890 -6.896 7.495 316 1HB PHE 37 HB1 PHE 37 -31.455 -6.822 5.887 317 2HB PHE 37 HB2 PHE 37 -30.787 -8.380 6.367 318 HD1 PHE 37 HD2 PHE 37 -28.368 -8.903 5.728 319 HD2 PHE 37 HD1 PHE 37 -30.492 -5.594 4.089 320 HE1 PHE 37 HE2 PHE 37 -26.750 -8.773 3.886 321 HE2 PHE 37 HE1 PHE 37 -28.868 -5.468 2.251 322 HZ PHE 37 HZ PHE 37 -26.997 -7.056 2.148 323 H SER 38 HN SER 38 -28.464 -4.957 6.387 324 HA SER 38 HA SER 38 -30.416 -2.773 6.833 325 1HB SER 38 HB1 SER 38 -27.454 -2.371 7.324 326 2HB SER 38 HB2 SER 38 -28.513 -2.928 8.624 327 HG SER 38 HG1 SER 38 -29.794 -1.148 8.341 328 H PHE 39 HN PHE 39 -30.323 -1.081 5.394 329 HA PHE 39 HA PHE 39 -28.604 -1.573 2.998 330 1HB PHE 39 HB1 PHE 39 -30.433 -0.852 1.649 331 2HB PHE 39 HB2 PHE 39 -31.234 -0.062 3.004 332 HD1 PHE 39 HD2 PHE 39 -32.199 -1.506 4.863 333 HD2 PHE 39 HD1 PHE 39 -30.812 -3.175 1.198 334 HE1 PHE 39 HE2 PHE 39 -33.435 -3.578 5.333 335 HE2 PHE 39 HE1 PHE 39 -32.063 -5.234 1.665 336 HZ PHE 39 HZ PHE 39 -33.376 -5.437 3.730 337 H LYS 40 HN LYS 40 -27.978 0.291 1.791 338 HA LYS 40 HA LYS 40 -27.266 2.534 3.564 339 1HB LYS 40 HB1 LYS 40 -26.537 1.797 0.694 340 2HB LYS 40 HB2 LYS 40 -25.544 1.542 2.111 341 1HG LYS 40 HG1 LYS 40 -26.357 4.233 0.948 342 2HG LYS 40 HG2 LYS 40 -24.748 3.526 0.923 343 1HD LYS 40 HD1 LYS 40 -25.064 3.412 3.529 344 2HD LYS 40 HD2 LYS 40 -26.268 4.661 3.246 345 1HE LYS 40 HE1 LYS 40 -23.305 4.760 2.855 346 2HE LYS 40 HE2 LYS 40 -24.387 5.992 3.492 347 1HZ LYS 40 HZ1 LYS 40 -23.948 5.230 0.671 348 2HZ LYS 40 HZ2 LYS 40 -23.727 6.748 1.401 349 3HZ LYS 40 HZ3 LYS 40 -25.296 6.141 1.162 350 H THR 41 HN THR 41 -29.582 1.811 1.127 351 HA THR 41 HA THR 41 -30.381 4.694 1.108 352 HB THR 41 HB THR 41 -30.876 4.523 -1.322 353 HG1 THR 41 HG1 THR 41 -30.760 1.912 -0.566 354 1HG2 THR 41 HG21 THR 41 -28.368 4.766 -0.610 355 2HG2 THR 41 HG22 THR 41 -28.629 4.090 -2.214 356 3HG2 THR 41 HG23 THR 41 -28.236 3.029 -0.865 357 H LYS 42 HN LYS 42 -32.597 5.086 0.714 358 HA LYS 42 HA LYS 42 -34.324 3.221 2.024 359 1HB LYS 42 HB1 LYS 42 -34.866 5.729 0.378 360 2HB LYS 42 HB2 LYS 42 -34.787 5.621 2.133 361 1HG LYS 42 HG1 LYS 42 -36.695 3.804 1.772 362 2HG LYS 42 HG2 LYS 42 -36.944 4.685 0.271 363 1HD LYS 42 HD1 LYS 42 -37.164 6.795 1.547 364 2HD LYS 42 HD2 LYS 42 -36.922 5.910 3.049 365 1HE LYS 42 HE1 LYS 42 -38.946 4.619 2.682 366 2HE LYS 42 HE2 LYS 42 -39.144 5.308 1.075 367 1HZ LYS 42 HZ1 LYS 42 -38.919 7.363 2.998 368 2HZ LYS 42 HZ2 LYS 42 -40.147 6.282 3.452 369 3HZ LYS 42 HZ3 LYS 42 -40.195 7.031 1.929 370 H GLY 43 HN GLY 43 -33.494 3.805 -1.294 371 1HA GLY 43 HA1 GLY 43 -34.068 2.593 -3.226 372 2HA GLY 43 HA2 GLY 43 -35.722 2.721 -2.633 373 H ASN 44 HN ASN 44 -32.761 0.934 -1.794 374 HA ASN 44 HA ASN 44 -33.730 -1.628 -2.372 375 1HB ASN 44 HB1 ASN 44 -31.978 -2.371 -0.656 376 2HB ASN 44 HB2 ASN 44 -31.745 -0.671 -0.265 377 1HD2 ASN 44 HD21 ASN 44 -32.389 -1.967 -3.531 378 2HD2 ASN 44 HD22 ASN 44 -30.893 -1.505 -4.186 379 H LEU 45 HN LEU 45 -33.915 0.186 0.672 380 HA LEU 45 HA LEU 45 -35.017 -1.797 2.305 381 1HB LEU 45 HB1 LEU 45 -35.882 1.144 2.215 382 2HB LEU 45 HB2 LEU 45 -34.391 0.604 2.958 383 HG LEU 45 HG LEU 45 -36.034 0.878 4.714 384 1HD1 LEU 45 HD11 LEU 45 -38.239 0.197 4.649 385 2HD1 LEU 45 HD12 LEU 45 -37.918 -1.179 3.609 386 3HD1 LEU 45 HD13 LEU 45 -37.973 0.437 2.929 387 1HD2 LEU 45 HD21 LEU 45 -36.022 -2.120 4.345 388 2HD2 LEU 45 HD22 LEU 45 -35.781 -1.175 5.806 389 3HD2 LEU 45 HD23 LEU 45 -34.514 -1.253 4.591 390 H THR 46 HN THR 46 -36.783 0.531 0.278 391 HA THR 46 HA THR 46 -39.377 -0.489 0.771 392 HB THR 46 HB THR 46 -38.325 0.732 -1.853 393 HG1 THR 46 HG1 THR 46 -38.906 1.651 0.725 394 1HG2 THR 46 HG21 THR 46 -40.699 -0.048 -2.003 395 2HG2 THR 46 HG22 THR 46 -40.692 1.704 -1.833 396 3HG2 THR 46 HG23 THR 46 -41.056 0.685 -0.444 397 H LYS 47 HN LYS 47 -36.898 -1.525 -1.502 398 HA LYS 47 HA LYS 47 -38.608 -3.325 -2.971 399 1HB LYS 47 HB1 LYS 47 -36.390 -4.331 -3.703 400 2HB LYS 47 HB2 LYS 47 -35.581 -3.281 -2.549 401 1HG LYS 47 HG1 LYS 47 -36.532 -1.296 -3.688 402 2HG LYS 47 HG2 LYS 47 -37.340 -2.349 -4.844 403 1HD LYS 47 HD1 LYS 47 -35.396 -2.821 -5.973 404 2HD LYS 47 HD2 LYS 47 -34.416 -2.786 -4.513 405 1HE LYS 47 HE1 LYS 47 -34.083 -0.863 -6.219 406 2HE LYS 47 HE2 LYS 47 -34.267 -0.422 -4.527 407 1HZ LYS 47 HZ1 LYS 47 -36.805 -0.600 -5.715 408 2HZ LYS 47 HZ2 LYS 47 -35.819 0.390 -6.680 409 3HZ LYS 47 HZ3 LYS 47 -36.041 0.756 -5.036 410 H HIS 48 HN HIS 48 -36.566 -3.701 -0.110 411 HA HIS 48 HA HIS 48 -36.882 -6.573 0.022 412 1HB HIS 48 HB1 HIS 48 -36.181 -4.504 2.167 413 2HB HIS 48 HB2 HIS 48 -35.035 -5.443 1.215 414 HD1 HIS 48 HD1 HIS 48 -35.574 -8.159 1.579 415 HD2 HIS 48 HD2 HIS 48 -36.691 -5.657 4.614 416 HE1 HIS 48 HE1 HIS 48 -35.796 -9.588 3.554 417 H MET 49 HN MET 49 -38.708 -3.838 1.218 418 HA MET 49 HA MET 49 -40.430 -5.558 2.869 419 1HB MET 49 HB1 MET 49 -41.712 -3.335 3.136 420 2HB MET 49 HB2 MET 49 -40.466 -2.595 2.138 421 1HG MET 49 HG1 MET 49 -39.893 -2.287 4.466 422 2HG MET 49 HG2 MET 49 -38.746 -3.367 3.722 423 1HE MET 49 HE1 MET 49 -39.812 -2.561 6.839 424 2HE MET 49 HE2 MET 49 -40.832 -3.810 7.554 425 3HE MET 49 HE3 MET 49 -41.470 -2.775 6.277 426 H LYS 50 HN LYS 50 -40.365 -4.284 -0.339 427 HA LYS 50 HA LYS 50 -43.149 -4.300 -0.931 428 1HB LYS 50 HB1 LYS 50 -40.911 -5.119 -2.841 429 2HB LYS 50 HB2 LYS 50 -41.209 -3.443 -2.400 430 1HG LYS 50 HG1 LYS 50 -43.447 -3.524 -3.320 431 2HG LYS 50 HG2 LYS 50 -43.333 -5.262 -3.573 432 1HD LYS 50 HD1 LYS 50 -41.772 -5.025 -5.334 433 2HD LYS 50 HD2 LYS 50 -41.344 -3.386 -4.854 434 1HE LYS 50 HE1 LYS 50 -43.581 -2.590 -5.510 435 2HE LYS 50 HE2 LYS 50 -44.053 -4.229 -5.940 436 1HZ LYS 50 HZ1 LYS 50 -41.873 -3.999 -7.402 437 2HZ LYS 50 HZ2 LYS 50 -42.324 -2.362 -7.351 438 3HZ LYS 50 HZ3 LYS 50 -43.404 -3.523 -7.961 439 H SER 51 HN SER 51 -40.715 -6.867 -1.106 440 HA SER 51 HA SER 51 -42.426 -8.851 -2.244 441 1HB SER 51 HB1 SER 51 -40.074 -9.235 -0.309 442 2HB SER 51 HB2 SER 51 -39.922 -9.086 -2.071 443 HG SER 51 HG1 SER 51 -40.915 -11.163 -0.535 444 H LYS 52 HN LYS 52 -43.113 -10.851 -1.047 445 HA LYS 52 HA LYS 52 -44.672 -9.995 1.305 446 1HB LYS 52 HB1 LYS 52 -45.655 -12.348 1.037 447 2HB LYS 52 HB2 LYS 52 -44.603 -12.556 -0.358 448 1HG LYS 52 HG1 LYS 52 -46.484 -11.733 -1.429 449 2HG LYS 52 HG2 LYS 52 -45.679 -10.212 -1.060 450 1HD LYS 52 HD1 LYS 52 -47.002 -10.033 1.035 451 2HD LYS 52 HD2 LYS 52 -47.821 -11.540 0.638 452 1HE LYS 52 HE1 LYS 52 -47.801 -9.217 -1.294 453 2HE LYS 52 HE2 LYS 52 -49.002 -9.323 -0.013 454 1HZ LYS 52 HZ1 LYS 52 -49.588 -11.543 -0.859 455 2HZ LYS 52 HZ2 LYS 52 -48.518 -11.312 -2.157 456 3HZ LYS 52 HZ3 LYS 52 -49.875 -10.304 -1.985 457 H ALA 53 HN ALA 53 -41.679 -10.540 1.331 458 HA ALA 53 HA ALA 53 -40.938 -12.868 2.633 459 1HB ALA 53 HB1 ALA 53 -39.244 -11.443 3.852 460 2HB ALA 53 HB2 ALA 53 -40.126 -10.005 3.347 461 3HB ALA 53 HB3 ALA 53 -39.346 -11.025 2.143 462 H HIS 54 HN HIS 54 -41.389 -10.011 4.670 463 HA HIS 54 HA HIS 54 -43.290 -11.502 6.344 464 1HB HIS 54 HB1 HIS 54 -41.463 -12.196 7.582 465 2HB HIS 54 HB2 HIS 54 -41.677 -10.622 8.329 466 HD1 HIS 54 HD1 HIS 54 -39.343 -12.502 6.323 467 HD2 HIS 54 HD2 HIS 54 -39.797 -8.565 7.346 468 HE1 HIS 54 HE1 HIS 54 -37.171 -11.461 5.905 469 H SER 55 HN SER 55 -44.772 -9.946 5.814 470 HA SER 55 HA SER 55 -44.421 -7.386 7.292 471 1HB SER 55 HB1 SER 55 -45.362 -6.135 5.365 472 2HB SER 55 HB2 SER 55 -45.571 -7.645 4.457 473 HG SER 55 HG1 SER 55 -43.159 -6.487 5.401 474 H LYS 56 HN LYS 56 -45.752 -8.931 8.688 475 HA LYS 56 HA LYS 56 -48.516 -9.374 7.895 476 1HB LYS 56 HB1 LYS 56 -48.681 -9.916 10.454 477 2HB LYS 56 HB2 LYS 56 -46.937 -9.675 10.479 478 1HG LYS 56 HG1 LYS 56 -46.660 -11.394 8.733 479 2HG LYS 56 HG2 LYS 56 -48.404 -11.617 8.662 480 1HD LYS 56 HD1 LYS 56 -48.396 -12.286 11.060 481 2HD LYS 56 HD2 LYS 56 -46.644 -12.113 11.087 482 1HE LYS 56 HE1 LYS 56 -46.369 -13.878 9.462 483 2HE LYS 56 HE2 LYS 56 -48.100 -13.934 9.149 484 1HZ LYS 56 HZ1 LYS 56 -47.656 -15.714 10.567 485 2HZ LYS 56 HZ2 LYS 56 -48.336 -14.526 11.572 486 3HZ LYS 56 HZ3 LYS 56 -46.657 -14.788 11.581 487 H LYS 57 HN LYS 57 -48.351 -6.845 7.407 488 HA LYS 57 HA LYS 57 -50.055 -5.633 9.431 489 1HB LYS 57 HB1 LYS 57 -47.549 -4.147 8.562 490 2HB LYS 57 HB2 LYS 57 -47.569 -5.146 10.012 491 1HG LYS 57 HG1 LYS 57 -49.089 -3.748 11.113 492 2HG LYS 57 HG2 LYS 57 -49.731 -3.094 9.610 493 1HD LYS 57 HD1 LYS 57 -47.735 -1.789 9.236 494 2HD LYS 57 HD2 LYS 57 -46.894 -2.595 10.557 495 1HE LYS 57 HE1 LYS 57 -48.614 -1.677 12.140 496 2HE LYS 57 HE2 LYS 57 -49.314 -0.778 10.799 497 1HZ LYS 57 HZ1 LYS 57 -47.670 0.433 12.254 498 2HZ LYS 57 HZ2 LYS 57 -47.404 0.519 10.579 499 3HZ LYS 57 LYS 57 -46.463 -0.523 11.535 Start of MODEL 20 Raw file had 499 H/Q atoms Start of MODEL 20 1 1H LYS 1 HT1 LYS 1 -7.334 -1.991 -9.864 2 2H LYS 1 HT2 LYS 1 -7.038 -3.590 -10.356 3 3H LYS 1 HT3 LYS 1 -7.659 -3.278 -8.807 4 HA LYS 1 HA LYS 1 -9.081 -2.551 -11.299 5 1HB LYS 1 HB1 LYS 1 -9.071 -4.929 -11.424 6 2HB LYS 1 HB2 LYS 1 -10.543 -4.610 -10.516 7 1HG LYS 1 HG1 LYS 1 -9.658 -6.085 -9.013 8 2HG LYS 1 HG2 LYS 1 -8.693 -4.709 -8.494 9 1HD LYS 1 HD1 LYS 1 -6.967 -5.384 -10.226 10 2HD LYS 1 HD2 LYS 1 -7.901 -6.850 -10.493 11 1HE LYS 1 HE1 LYS 1 -6.782 -5.980 -7.808 12 2HE LYS 1 HE2 LYS 1 -6.047 -7.187 -8.854 13 1HZ LYS 1 HZ1 LYS 1 -8.030 -8.529 -8.672 14 2HZ LYS 1 HZ2 LYS 1 -8.773 -7.355 -7.696 15 3HZ LYS 1 HZ3 LYS 1 -7.407 -8.190 -7.129 16 OH TYR 2 OH TYR 2 -7.481 2.452 -8.636 17 H TYR 2 HN TYR 2 -11.539 -2.778 -10.618 18 HA TYR 2 HA TYR 2 -11.971 -1.790 -7.863 19 1HB TYR 2 HB1 TYR 2 -13.185 0.220 -8.733 20 2HB TYR 2 HB2 TYR 2 -12.717 -0.218 -10.373 21 HD1 TYR 2 HD2 TYR 2 -11.371 0.760 -7.053 22 HD2 TYR 2 HD1 TYR 2 -10.534 0.305 -11.197 23 HE1 TYR 2 HE2 TYR 2 -9.247 1.947 -6.755 24 HE2 TYR 2 HE1 TYR 2 -8.404 1.481 -10.897 25 HH TYR 2 HH TYR 2 -7.671 3.383 -8.511 26 H ILE 3 HN ILE 3 -12.812 -4.185 -8.798 27 HA ILE 3 HA ILE 3 -15.726 -3.780 -9.342 28 HB ILE 3 HB ILE 3 -14.168 -6.355 -9.780 29 1HG1 ILE 3 HG11 ILE 3 -12.972 -4.737 -11.097 30 2HG1 ILE 3 HG12 ILE 3 -14.464 -3.977 -11.640 31 1HG2 ILE 3 HG21 ILE 3 -16.787 -6.098 -9.802 32 2HG2 ILE 3 HG22 ILE 3 -16.046 -6.926 -11.167 33 3HG2 ILE 3 HG23 ILE 3 -16.550 -5.246 -11.326 34 1HD1 ILE 3 HD1 ILE 3 -13.290 -5.647 -13.256 35 2HD1 ILE 3 HD2 ILE 3 -15.030 -5.803 -13.030 36 3HD1 ILE 3 HD3 ILE 3 -13.932 -6.896 -12.193 37 H CYS 4 HN CYS 4 -16.817 -3.952 -7.435 38 HA CYS 4 HA CYS 4 -15.824 -5.228 -5.129 39 1HB CYS 4 HB1 CYS 4 -18.684 -4.776 -6.022 40 2HB CYS 4 HB2 CYS 4 -17.753 -3.757 -4.965 41 H GLU 5 HN GLU 5 -15.250 -7.239 -4.936 42 HA GLU 5 HA GLU 5 -16.040 -9.349 -6.647 43 1HB GLU 5 HB1 GLU 5 -15.039 -10.820 -4.839 44 2HB GLU 5 HB2 GLU 5 -14.936 -9.402 -3.802 45 1HG GLU 5 HG1 GLU 5 -12.778 -9.708 -4.888 46 2HG GLU 5 HG2 GLU 5 -13.544 -8.285 -5.589 47 H GLU 6 HN GLU 6 -17.701 -7.931 -4.011 48 HA GLU 6 HA GLU 6 -19.294 -10.316 -3.480 49 1HB GLU 6 HB1 GLU 6 -19.954 -7.544 -2.470 50 2HB GLU 6 HB2 GLU 6 -18.570 -8.399 -1.807 51 1HG GLU 6 HG1 GLU 6 -21.318 -9.660 -1.975 52 2HG GLU 6 HG2 GLU 6 -20.789 -8.736 -0.571 53 H CYS 7 HN CYS 7 -20.244 -6.970 -4.272 54 HA CYS 7 HA CYS 7 -22.753 -7.928 -5.417 55 1HB CYS 7 HB1 CYS 7 -23.246 -5.614 -5.779 56 2HB CYS 7 HB2 CYS 7 -21.566 -5.171 -5.791 57 H GLY 8 HN GLY 8 -19.866 -6.302 -6.673 58 1HA GLY 8 HA1 GLY 8 -20.489 -7.447 -9.365 59 2HA GLY 8 HA2 GLY 8 -18.858 -7.130 -8.781 60 H ILE 9 HN ILE 9 -20.200 -4.580 -7.554 61 HA ILE 9 HA ILE 9 -21.035 -2.918 -9.672 62 HB ILE 9 HB ILE 9 -21.031 -2.490 -7.082 63 1HG1 ILE 9 HG11 ILE 9 -20.296 -0.345 -9.103 64 2HG1 ILE 9 HG12 ILE 9 -20.825 0.013 -7.467 65 1HG2 ILE 9 HG21 ILE 9 -18.385 -1.124 -7.761 66 2HG2 ILE 9 HG22 ILE 9 -18.430 -2.734 -7.063 67 3HG2 ILE 9 HG23 ILE 9 -19.093 -1.379 -6.178 68 1HD1 ILE 9 HD1 ILE 9 -22.426 -0.686 -9.782 69 2HD1 ILE 9 HD2 ILE 9 -22.960 -0.118 -8.206 70 3HD1 ILE 9 HD3 ILE 9 -22.717 -1.836 -8.486 71 NH1 ARG 10 NH2 ARG 10 -19.787 -4.281 -16.046 72 NH2 ARG 10 NH1 ARG 10 -18.256 -4.380 -17.740 73 H ARG 10 HN ARG 10 -19.991 -2.063 -11.350 74 HA ARG 10 HA ARG 10 -17.020 -2.287 -11.386 75 1HB ARG 10 HB1 ARG 10 -18.938 -1.691 -13.689 76 2HB ARG 10 HB2 ARG 10 -18.455 -3.318 -13.236 77 1HG ARG 10 HG1 ARG 10 -16.002 -2.311 -13.450 78 2HG ARG 10 HG2 ARG 10 -16.808 -1.126 -14.470 79 1HD ARG 10 HD1 ARG 10 -16.961 -4.141 -14.835 80 2HD ARG 10 HD2 ARG 10 -15.973 -3.049 -15.802 81 HE ARG 10 HE ARG 10 -18.327 -1.930 -16.279 82 1HH1 ARG 10 HH21 ARG 10 -20.101 -3.851 -15.200 83 2HH1 ARG 10 HH22 ARG 10 -20.301 -5.044 -16.440 84 1HH2 ARG 10 HH11 ARG 10 -17.424 -4.024 -18.164 85 2HH2 ARG 10 HH12 ARG 10 -18.745 -5.144 -18.163 86 H ABA 11 HN ABU 11 -16.158 -0.477 -10.545 87 HA ABA 11 HA ABU 11 -17.071 2.135 -11.709 88 1HB ABA 11 HB1 ABU 11 -16.538 3.181 -9.558 89 2HB ABA 11 HB2 ABU 11 -15.890 1.681 -8.932 90 1HG ABA 11 HG1 ABU 11 -18.185 0.658 -9.256 91 2HG ABA 11 HG2 ABU 11 -18.780 2.268 -9.637 92 3HG ABA 11 HG3 ABU 11 -18.125 1.924 -8.039 93 H LYS 12 HN LYS 12 -15.546 2.502 -13.200 94 HA LYS 12 HA LYS 12 -12.823 1.735 -13.010 95 1HB LYS 12 HB1 LYS 12 -12.539 3.467 -14.874 96 2HB LYS 12 HB2 LYS 12 -14.231 3.888 -14.641 97 1HG LYS 12 HG1 LYS 12 -14.949 1.662 -15.233 98 2HG LYS 12 HG2 LYS 12 -13.296 1.058 -15.202 99 1HD LYS 12 HD1 LYS 12 -12.723 2.570 -17.091 100 2HD LYS 12 HD2 LYS 12 -14.389 3.135 -17.133 101 1HE LYS 12 HE1 LYS 12 -15.208 1.047 -17.868 102 2HE LYS 12 HE2 LYS 12 -13.770 0.189 -17.328 103 1HZ LYS 12 HZ1 LYS 12 -14.038 0.613 -19.801 104 2HZ LYS 12 HZ2 LYS 12 -12.532 0.978 -19.106 105 3HZ LYS 12 HZ3 LYS 12 -13.630 2.225 -19.458 106 H LYS 13 HN LYS 13 -14.180 3.717 -10.896 107 HA LYS 13 HA LYS 13 -11.724 5.391 -10.697 108 1HB LYS 13 HB1 LYS 13 -13.338 7.172 -9.699 109 2HB LYS 13 HB2 LYS 13 -14.633 6.193 -10.381 110 1HG LYS 13 HG1 LYS 13 -13.631 6.397 -12.622 111 2HG LYS 13 HG2 LYS 13 -12.295 7.328 -11.954 112 1HD LYS 13 HD1 LYS 13 -13.766 9.134 -11.324 113 2HD LYS 13 HD2 LYS 13 -15.195 8.171 -11.685 114 1HE LYS 13 HE1 LYS 13 -14.937 8.397 -13.980 115 2HE LYS 13 HE2 LYS 13 -13.191 8.577 -13.871 116 1HZ LYS 13 HZ1 LYS 13 -14.250 10.728 -12.520 117 2HZ LYS 13 HZ2 LYS 13 -15.196 10.575 -13.922 118 3HZ LYS 13 HZ3 LYS 13 -13.510 10.740 -14.049 119 HA PRO 14 HA PRO 14 -11.498 3.760 -6.557 120 1HB PRO 14 HB1 PRO 14 -9.466 4.668 -5.960 121 2HB PRO 14 HB2 PRO 14 -10.316 6.099 -5.376 122 1HG PRO 14 HG1 PRO 14 -8.573 5.985 -7.617 123 2HG PRO 14 HG2 PRO 14 -9.638 7.328 -7.196 124 1HD PRO 14 HD1 PRO 14 -10.823 6.868 -9.107 125 2HD PRO 14 HD2 PRO 14 -9.915 5.362 -9.348 126 H SER 15 HN SER 15 -11.891 7.281 -6.158 127 HA SER 15 HA SER 15 -13.365 7.482 -3.895 128 1HB SER 15 HB1 SER 15 -12.851 9.353 -5.620 129 2HB SER 15 HB2 SER 15 -14.445 9.481 -4.850 130 HG SER 15 HG1 SER 15 -15.243 9.231 -6.771 131 H MET 16 HN MET 16 -14.711 6.395 -6.989 132 HA MET 16 HA MET 16 -17.406 6.169 -5.957 133 1HB MET 16 HB1 MET 16 -17.592 4.602 -8.053 134 2HB MET 16 HB2 MET 16 -15.939 5.105 -8.395 135 1HG MET 16 HG1 MET 16 -17.504 6.554 -9.564 136 2HG MET 16 HG2 MET 16 -16.630 7.452 -8.353 137 1HE MET 16 HE1 MET 16 -19.920 6.275 -9.764 138 2HE MET 16 HE2 MET 16 -19.383 7.914 -10.132 139 3HE MET 16 HE3 MET 16 -20.876 7.657 -9.230 140 H LEU 17 HN LEU 17 -14.976 3.674 -6.812 141 HA LEU 17 HA LEU 17 -16.449 1.537 -5.627 142 1HB LEU 17 HB1 LEU 17 -13.417 1.652 -5.732 143 2HB LEU 17 HB2 LEU 17 -14.339 1.522 -7.210 144 HG LEU 17 HG LEU 17 -13.583 -0.706 -6.336 145 1HD1 LEU 17 HD11 LEU 17 -15.571 -0.320 -4.090 146 2HD1 LEU 17 HD12 LEU 17 -13.859 0.029 -3.900 147 3HD1 LEU 17 HD13 LEU 17 -14.387 -1.601 -4.292 148 1HD2 LEU 17 HD21 LEU 17 -16.579 -0.734 -6.072 149 2HD2 LEU 17 HD22 LEU 17 -15.521 -1.820 -6.961 150 3HD2 LEU 17 HD23 LEU 17 -15.869 -0.218 -7.590 151 H LYS 18 HN LYS 18 -13.584 3.266 -4.474 152 HA LYS 18 HA LYS 18 -13.166 2.332 -1.970 153 1HB LYS 18 HB1 LYS 18 -13.499 5.320 -2.509 154 2HB LYS 18 HB2 LYS 18 -12.120 4.395 -3.090 155 1HG LYS 18 HG1 LYS 18 -12.834 4.211 -0.184 156 2HG LYS 18 HG2 LYS 18 -12.016 5.659 -0.756 157 1HD LYS 18 HD1 LYS 18 -10.943 2.994 -1.610 158 2HD LYS 18 HD2 LYS 18 -10.625 3.532 0.036 159 1HE LYS 18 HE1 LYS 18 -9.468 5.467 -0.698 160 2HE LYS 18 HE2 LYS 18 -10.136 5.358 -2.320 161 1HZ LYS 18 HZ1 LYS 18 -8.476 3.162 -1.309 162 2HZ LYS 18 HZ2 LYS 18 -7.725 4.588 -1.846 163 3HZ LYS 18 HZ3 LYS 18 -8.707 3.696 -2.905 164 H LYS 19 HN LYS 19 -15.734 4.691 -2.729 165 HA LYS 19 HA LYS 19 -16.745 4.678 -0.043 166 1HB LYS 19 HB1 LYS 19 -18.791 5.733 -1.184 167 2HB LYS 19 HB2 LYS 19 -17.956 5.503 -2.716 168 1HG LYS 19 HG1 LYS 19 -16.003 6.794 -1.717 169 2HG LYS 19 HG2 LYS 19 -17.057 7.194 -0.366 170 1HD LYS 19 HD1 LYS 19 -18.687 8.195 -1.952 171 2HD LYS 19 HD2 LYS 19 -17.598 7.828 -3.285 172 1HE LYS 19 HE1 LYS 19 -15.866 9.137 -1.695 173 2HE LYS 19 HE2 LYS 19 -17.355 9.903 -1.155 174 1HZ LYS 19 HZ1 LYS 19 -15.903 10.407 -3.478 175 2HZ LYS 19 HZ2 LYS 19 -17.353 11.130 -2.970 176 3HZ LYS 19 HZ3 LYS 19 -17.393 9.744 -3.950 177 H HIS 20 HN HIS 20 -17.595 2.969 -3.006 178 HA HIS 20 HA HIS 20 -19.956 1.711 -2.076 179 1HB HIS 20 HB1 HIS 20 -17.829 0.695 -4.008 180 2HB HIS 20 HB2 HIS 20 -19.271 1.601 -4.456 181 HD1 HIS 20 HD1 HIS 20 -21.215 0.095 -4.925 182 HD2 HIS 20 HD2 HIS 20 -18.389 -1.859 -2.747 183 HE1 HIS 20 HE1 HIS 20 -22.024 -2.210 -4.722 184 H ILE 21 HN ILE 21 -16.591 0.519 -2.056 185 HA ILE 21 HA ILE 21 -17.191 -1.926 -0.756 186 HB ILE 21 HB ILE 21 -14.916 -0.930 -1.827 187 1HG1 ILE 21 HG11 ILE 21 -15.127 -2.959 0.426 188 2HG1 ILE 21 HG12 ILE 21 -13.680 -2.745 -0.552 189 1HG2 ILE 21 HG21 ILE 21 -13.314 -0.243 -0.161 190 2HG2 ILE 21 HG22 ILE 21 -14.335 -0.778 1.167 191 3HG2 ILE 21 HG23 ILE 21 -14.760 0.651 0.247 192 1HD1 ILE 21 HD1 ILE 21 -14.577 -4.123 -2.105 193 2HD1 ILE 21 HD2 ILE 21 -15.861 -2.952 -2.375 194 3HD1 ILE 21 HD3 ILE 21 -16.072 -4.230 -1.186 195 NH1 ARG 22 NH2 ARG 22 -13.113 3.325 4.985 196 NH2 ARG 22 NH1 ARG 22 -11.466 3.385 3.404 197 H ARG 22 HN ARG 22 -16.759 1.306 0.521 198 HA ARG 22 HA ARG 22 -16.530 0.441 3.297 199 1HB ARG 22 HB1 ARG 22 -17.267 2.944 3.648 200 2HB ARG 22 HB2 ARG 22 -17.147 3.074 1.897 201 1HG ARG 22 HG1 ARG 22 -14.806 2.352 1.969 202 2HG ARG 22 HG2 ARG 22 -14.914 2.091 3.707 203 1HD ARG 22 HD1 ARG 22 -15.256 4.454 4.112 204 2HD ARG 22 HD2 ARG 22 -15.429 4.778 2.387 205 HE ARG 22 HE ARG 22 -13.087 4.955 2.344 206 1HH1 ARG 22 HH21 ARG 22 -14.043 3.566 5.262 207 2HH1 ARG 22 HH22 ARG 22 -12.522 2.814 5.609 208 1HH2 ARG 22 HH11 ARG 22 -11.159 3.671 2.496 209 2HH2 ARG 22 HH12 ARG 22 -10.846 2.875 4.003 210 H THR 23 HN THR 23 -19.172 0.878 1.110 211 HA THR 23 HA THR 23 -21.179 1.352 3.118 212 HB THR 23 HB THR 23 -21.522 -0.005 0.371 213 HG1 THR 23 HG1 THR 23 -21.963 2.256 -0.139 214 1HG2 THR 23 HG21 THR 23 -23.715 -0.048 1.305 215 2HG2 THR 23 HG22 THR 23 -23.690 1.618 0.746 216 3HG2 THR 23 HG23 THR 23 -23.365 1.252 2.436 217 H HIS 24 HN HIS 24 -19.459 -1.492 2.184 218 HA HIS 24 HA HIS 24 -21.518 -3.349 3.130 219 1HB HIS 24 HB1 HIS 24 -19.453 -4.966 3.089 220 2HB HIS 24 HB2 HIS 24 -18.574 -3.612 2.386 221 HD1 HIS 24 HD1 HIS 24 -21.734 -5.507 1.625 222 HD2 HIS 24 HD2 HIS 24 -18.815 -3.440 -0.326 223 HE1 HIS 24 HE1 HIS 24 -22.227 -5.766 -0.781 224 H THR 25 HN THR 25 -20.151 -1.116 4.817 225 HA THR 25 HA THR 25 -19.177 -2.799 7.060 226 HB THR 25 HB THR 25 -18.520 -0.489 7.973 227 HG1 THR 25 HG1 THR 25 -20.038 0.080 5.720 228 1HG2 THR 25 HG21 THR 25 -16.818 -1.527 6.496 229 2HG2 THR 25 HG22 THR 25 -16.985 0.159 6.018 230 3HG2 THR 25 HG23 THR 25 -17.765 -1.104 5.073 231 H ASP 26 HN ASP 26 -20.361 0.192 7.948 232 HA ASP 26 HA ASP 26 -23.097 -0.664 8.520 233 1HB ASP 26 HB1 ASP 26 -22.634 -0.091 11.050 234 2HB ASP 26 HB2 ASP 26 -20.940 -0.365 10.650 235 H VAL 27 HN VAL 27 -21.683 1.366 7.072 236 HA VAL 27 HA VAL 27 -22.297 3.827 8.615 237 HB VAL 27 HB VAL 27 -20.118 3.679 7.457 238 1HG1 VAL 27 HG11 VAL 27 -20.888 2.095 5.680 239 2HG1 VAL 27 HG12 VAL 27 -19.965 3.442 5.036 240 3HG1 VAL 27 HG13 VAL 27 -21.717 3.423 4.892 241 1HG2 VAL 27 HG21 VAL 27 -20.215 5.885 6.959 242 2HG2 VAL 27 HG22 VAL 27 -21.952 5.784 7.219 243 3HG2 VAL 27 HG23 VAL 27 -21.292 5.598 5.598 244 NH1 ARG 28 NH2 ARG 28 -25.784 -1.119 8.095 245 NH2 ARG 28 NH1 ARG 28 -25.181 -2.632 6.493 246 H ARG 28 HN ARG 28 -24.535 2.415 7.929 247 HA ARG 28 HA ARG 28 -25.734 3.974 5.677 248 1HB ARG 28 HB1 ARG 28 -27.476 2.066 5.809 249 2HB ARG 28 HB2 ARG 28 -26.350 1.257 6.890 250 1HG ARG 28 HG1 ARG 28 -24.655 1.899 4.882 251 2HG ARG 28 HG2 ARG 28 -26.147 1.741 3.963 252 1HD ARG 28 HD1 ARG 28 -24.981 -0.433 4.091 253 2HD ARG 28 HD2 ARG 28 -26.511 -0.505 4.962 254 HE ARG 28 HE ARG 28 -23.983 0.040 6.452 255 1HH1 ARG 28 HH21 ARG 28 -25.828 -0.168 8.401 256 2HH1 ARG 28 HH22 ARG 28 -26.141 -1.849 8.677 257 1HH2 ARG 28 HH11 ARG 28 -24.773 -2.816 5.598 258 2HH2 ARG 28 HH12 ARG 28 -25.528 -3.388 7.048 259 HA PRO 29 HA PRO 29 -27.725 5.562 9.555 260 1HB PRO 29 HB1 PRO 29 -27.202 7.794 9.449 261 2HB PRO 29 HB2 PRO 29 -28.349 8.011 8.126 262 1HG PRO 29 HG1 PRO 29 -25.445 7.953 7.983 263 2HG PRO 29 HG2 PRO 29 -26.589 8.258 6.675 264 1HD PRO 29 HD1 PRO 29 -26.263 6.165 5.843 265 2HD PRO 29 HD2 PRO 29 -25.008 5.907 7.066 266 OH TYR 30 OH TYR 30 -29.731 11.023 3.363 267 H TYR 30 HN TYR 30 -28.862 5.839 6.205 268 HA TYR 30 HA TYR 30 -31.616 6.332 6.851 269 1HB TYR 30 HB1 TYR 30 -32.008 5.442 4.490 270 2HB TYR 30 HB2 TYR 30 -30.303 5.009 4.427 271 HD1 TYR 30 HD1 TYR 30 -32.555 7.922 5.065 272 HD2 TYR 30 HD2 TYR 30 -28.718 6.629 3.759 273 HE1 TYR 30 HE1 TYR 30 -31.998 10.221 4.423 274 HE2 TYR 30 HE2 TYR 30 -28.161 8.929 3.120 275 HH TYR 30 HH TYR 30 -30.501 11.405 2.935 276 H HIS 31 HN HIS 31 -32.484 4.975 8.357 277 HA HIS 31 HA HIS 31 -32.396 2.035 7.793 278 1HB HIS 31 HB1 HIS 31 -33.416 2.149 10.289 279 2HB HIS 31 HB2 HIS 31 -32.616 3.718 10.281 280 HD1 HIS 31 HD1 HIS 31 -31.867 0.438 11.075 281 HD2 HIS 31 HD2 HIS 31 -29.766 3.344 9.179 282 HE1 HIS 31 HE1 HIS 31 -29.548 -0.264 11.232 283 H CYS 32 HN CYS 32 -34.259 0.901 7.433 284 HA CYS 32 HA CYS 32 -36.605 2.274 6.606 285 1HB CYS 32 HB1 CYS 32 -35.986 -0.580 7.404 286 2HB CYS 32 HB2 CYS 32 -36.384 0.042 5.826 287 H THR 33 HN THR 33 -38.706 2.321 7.586 288 HA THR 33 HA THR 33 -38.526 2.877 10.467 289 HB THR 33 HB THR 33 -40.793 3.130 8.404 290 HG1 THR 33 HG1 THR 33 -39.885 5.018 8.224 291 1HG2 THR 33 HG21 THR 33 -42.066 3.069 10.417 292 2HG2 THR 33 HG22 THR 33 -41.532 4.745 10.461 293 3HG2 THR 33 HG23 THR 33 -40.685 3.527 11.409 294 OH TYR 34 OH TYR 34 -45.071 2.128 8.939 295 H TYR 34 HN TYR 34 -38.473 0.102 9.156 296 HA TYR 34 HA TYR 34 -40.215 -1.142 11.186 297 1HB TYR 34 HB1 TYR 34 -41.261 -2.646 9.474 298 2HB TYR 34 HB2 TYR 34 -40.407 -1.782 8.199 299 HD1 TYR 34 HD2 TYR 34 -40.976 0.618 7.739 300 HD2 TYR 34 HD1 TYR 34 -43.230 -1.701 10.502 301 HE1 TYR 34 HE2 TYR 34 -42.804 2.249 7.621 302 HE2 TYR 34 HE1 TYR 34 -45.051 -0.063 10.387 303 HH TYR 34 HH TYR 34 -45.495 2.158 9.800 304 H CYS 35 HN CYS 35 -38.528 -2.246 8.257 305 HA CYS 35 HA CYS 35 -37.459 -4.595 9.461 306 1HB CYS 35 HB1 CYS 35 -36.005 -4.699 7.512 307 2HB CYS 35 HB2 CYS 35 -36.172 -2.991 7.228 308 H ASN 36 HN ASN 36 -34.897 -4.812 9.138 309 HA ASN 36 HA ASN 36 -33.705 -2.774 10.975 310 1HB ASN 36 HB1 ASN 36 -32.887 -5.689 10.506 311 2HB ASN 36 HB2 ASN 36 -33.883 -5.150 11.855 312 1HD2 ASN 36 HD21 ASN 36 -32.767 -3.110 13.034 313 2HD2 ASN 36 HD22 ASN 36 -31.116 -3.316 13.373 314 H PHE 37 HN PHE 37 -33.903 -3.421 7.872 315 HA PHE 37 HA PHE 37 -31.070 -3.479 7.140 316 1HB PHE 37 HB1 PHE 37 -33.293 -2.735 5.233 317 2HB PHE 37 HB2 PHE 37 -33.224 -4.386 5.842 318 HD1 PHE 37 HD2 PHE 37 -30.963 -5.639 5.605 319 HD2 PHE 37 HD1 PHE 37 -31.880 -2.074 3.462 320 HE1 PHE 37 HE2 PHE 37 -29.191 -6.153 3.985 321 HE2 PHE 37 HE1 PHE 37 -30.106 -2.594 1.843 322 HZ PHE 37 HZ PHE 37 -28.761 -4.633 2.105 323 H SER 38 HN SER 38 -30.087 -1.803 5.836 324 HA SER 38 HA SER 38 -31.329 0.865 6.102 325 1HB SER 38 HB1 SER 38 -28.467 0.317 7.007 326 2HB SER 38 HB2 SER 38 -29.832 0.390 8.133 327 HG SER 38 HG1 SER 38 -30.253 2.459 7.488 328 H PHE 39 HN PHE 39 -30.014 2.540 4.952 329 HA PHE 39 HA PHE 39 -28.495 1.362 2.669 330 1HB PHE 39 HB1 PHE 39 -29.810 2.646 1.115 331 2HB PHE 39 HB2 PHE 39 -30.494 3.635 2.407 332 HD1 PHE 39 HD2 PHE 39 -32.139 2.626 4.007 333 HD2 PHE 39 HD1 PHE 39 -30.747 0.468 0.609 334 HE1 PHE 39 HE2 PHE 39 -33.972 1.014 4.274 335 HE2 PHE 39 HE1 PHE 39 -32.599 -1.124 0.866 336 HZ PHE 39 HZ PHE 39 -34.217 -0.846 2.693 337 H LYS 40 HN LYS 40 -27.105 2.862 1.586 338 HA LYS 40 HA LYS 40 -25.918 4.798 3.458 339 1HB LYS 40 HB1 LYS 40 -25.158 3.820 0.663 340 2HB LYS 40 HB2 LYS 40 -24.452 3.294 2.177 341 1HG LYS 40 HG1 LYS 40 -24.234 6.074 0.973 342 2HG LYS 40 HG2 LYS 40 -22.945 4.891 1.115 343 1HD LYS 40 HD1 LYS 40 -23.524 4.936 3.662 344 2HD LYS 40 HD2 LYS 40 -24.281 6.477 3.293 345 1HE LYS 40 HE1 LYS 40 -21.401 5.719 3.248 346 2HE LYS 40 HE2 LYS 40 -22.146 7.248 3.692 347 1HZ LYS 40 HZ1 LYS 40 -22.652 7.546 1.283 348 2HZ LYS 40 HZ2 LYS 40 -21.670 6.197 0.966 349 3HZ LYS 40 HZ3 LYS 40 -21.001 7.586 1.677 350 H THR 41 HN THR 41 -28.103 4.828 0.833 351 HA THR 41 HA THR 41 -27.904 7.807 0.760 352 HB THR 41 HB THR 41 -27.986 7.812 -1.656 353 HG1 THR 41 HG1 THR 41 -28.309 5.402 -2.410 354 1HG2 THR 41 HG21 THR 41 -25.809 6.682 -0.680 355 2HG2 THR 41 HG22 THR 41 -26.179 6.313 -2.360 356 3HG2 THR 41 HG23 THR 41 -26.567 5.149 -1.098 357 H LYS 42 HN LYS 42 -29.800 8.889 0.139 358 HA LYS 42 HA LYS 42 -32.170 7.763 1.255 359 1HB LYS 42 HB1 LYS 42 -31.554 10.239 -0.392 360 2HB LYS 42 HB2 LYS 42 -31.947 10.153 1.318 361 1HG LYS 42 HG1 LYS 42 -34.222 9.156 0.510 362 2HG LYS 42 HG2 LYS 42 -33.783 9.835 -1.055 363 1HD LYS 42 HD1 LYS 42 -33.492 12.063 0.004 364 2HD LYS 42 HD2 LYS 42 -33.964 11.380 1.555 365 1HE LYS 42 HE1 LYS 42 -35.891 10.708 -0.526 366 2HE LYS 42 HE2 LYS 42 -35.685 12.449 -0.384 367 1HZ LYS 42 HZ1 LYS 42 -37.319 11.053 1.149 368 2HZ LYS 42 HZ2 LYS 42 -36.566 12.484 1.666 369 3HZ LYS 42 HZ3 LYS 42 -35.920 10.975 2.107 370 H GLY 43 HN GLY 43 -30.748 7.611 -1.845 371 1HA GLY 43 HA1 GLY 43 -31.494 6.663 -3.861 372 2HA GLY 43 HA2 GLY 43 -33.080 7.324 -3.475 373 H ASN 44 HN ASN 44 -30.917 4.609 -2.793 374 HA ASN 44 HA ASN 44 -32.687 2.551 -3.267 375 1HB ASN 44 HB1 ASN 44 -31.335 1.264 -1.500 376 2HB ASN 44 HB2 ASN 44 -30.528 2.782 -1.119 377 1HD2 ASN 44 HD21 ASN 44 -28.593 1.379 -1.924 378 2HD2 ASN 44 HD22 ASN 44 -28.258 1.432 -3.588 379 H LEU 45 HN LEU 45 -32.512 4.566 -0.407 380 HA LEU 45 HA LEU 45 -34.211 2.981 1.249 381 1HB LEU 45 HB1 LEU 45 -33.716 6.005 1.130 382 2HB LEU 45 HB2 LEU 45 -32.874 4.856 2.148 383 HG LEU 45 HG LEU 45 -34.446 5.891 3.601 384 1HD1 LEU 45 HD11 LEU 45 -36.462 6.761 2.994 385 2HD1 LEU 45 HD12 LEU 45 -36.942 5.317 2.117 386 3HD1 LEU 45 HD13 LEU 45 -35.915 6.509 1.344 387 1HD2 LEU 45 HD21 LEU 45 -34.393 3.337 3.598 388 2HD2 LEU 45 HD22 LEU 45 -35.921 3.386 2.733 389 3HD2 LEU 45 HD23 LEU 45 -35.805 4.072 4.346 390 H THR 46 HN THR 46 -34.923 5.726 -0.893 391 HA THR 46 HA THR 46 -37.724 5.784 -0.475 392 HB THR 46 HB THR 46 -36.066 6.444 -2.984 393 HG1 THR 46 HG1 THR 46 -37.207 7.942 -0.845 394 1HG2 THR 46 HG21 THR 46 -38.994 6.770 -2.253 395 2HG2 THR 46 HG22 THR 46 -38.286 6.537 -3.849 396 3HG2 THR 46 HG23 THR 46 -38.207 8.115 -3.071 397 H LYS 47 HN LYS 47 -35.737 3.775 -2.569 398 HA LYS 47 HA LYS 47 -37.897 2.667 -4.096 399 1HB LYS 47 HB1 LYS 47 -36.191 0.756 -4.444 400 2HB LYS 47 HB2 LYS 47 -35.116 1.644 -3.370 401 1HG LYS 47 HG1 LYS 47 -35.145 3.576 -4.853 402 2HG LYS 47 HG2 LYS 47 -36.362 2.821 -5.874 403 1HD LYS 47 HD1 LYS 47 -34.708 0.927 -6.261 404 2HD LYS 47 HD2 LYS 47 -33.498 1.919 -5.455 405 1HE LYS 47 HE1 LYS 47 -34.796 2.300 -8.117 406 2HE LYS 47 HE2 LYS 47 -33.137 2.618 -7.628 407 1HZ LYS 47 HZ1 LYS 47 -33.768 4.604 -6.571 408 2HZ LYS 47 HZ2 LYS 47 -35.423 4.241 -6.683 409 3HZ LYS 47 HZ3 LYS 47 -34.541 4.617 -8.084 410 H HIS 48 HN HIS 48 -36.294 1.589 -1.109 411 HA HIS 48 HA HIS 48 -37.720 -0.858 -0.840 412 1HB HIS 48 HB1 HIS 48 -36.659 1.044 1.314 413 2HB HIS 48 HB2 HIS 48 -35.777 -0.299 0.595 414 HD1 HIS 48 HD1 HIS 48 -37.589 -2.551 0.819 415 HD2 HIS 48 HD2 HIS 48 -37.535 0.247 3.800 416 HE1 HIS 48 HE1 HIS 48 -38.500 -3.683 2.788 417 H MET 49 HN MET 49 -38.559 2.438 0.064 418 HA MET 49 HA MET 49 -40.959 1.671 1.502 419 1HB MET 49 HB1 MET 49 -41.490 4.154 1.246 420 2HB MET 49 HB2 MET 49 -40.045 4.308 0.253 421 1HG MET 49 HG1 MET 49 -39.614 4.914 2.604 422 2HG MET 49 HG2 MET 49 -38.643 3.567 2.073 423 1HE MET 49 HE1 MET 49 -39.272 4.776 5.004 424 2HE MET 49 HE2 MET 49 -40.545 3.952 5.905 425 3HE MET 49 HE3 MET 49 -40.964 5.039 4.580 426 H LYS 50 HN LYS 50 -40.188 2.539 -1.806 427 HA LYS 50 HA LYS 50 -42.685 3.099 -2.889 428 1HB LYS 50 HB1 LYS 50 -40.689 1.172 -4.163 429 2HB LYS 50 HB2 LYS 50 -40.413 2.907 -4.091 430 1HG LYS 50 HG1 LYS 50 -43.078 2.082 -5.113 431 2HG LYS 50 HG2 LYS 50 -41.719 1.665 -6.148 432 1HD LYS 50 HD1 LYS 50 -40.943 4.039 -6.042 433 2HD LYS 50 HD2 LYS 50 -42.358 4.436 -5.073 434 1HE LYS 50 HE1 LYS 50 -42.212 3.628 -7.969 435 2HE LYS 50 HE2 LYS 50 -43.075 4.977 -7.244 436 1HZ LYS 50 HZ1 LYS 50 -44.429 3.152 -6.091 437 2HZ LYS 50 HZ2 LYS 50 -43.808 2.127 -7.293 438 3HZ LYS 50 HZ3 LYS 50 -44.736 3.481 -7.728 439 H SER 51 HN SER 51 -41.277 -0.178 -2.722 440 HA SER 51 HA SER 51 -43.518 -1.617 -3.563 441 1HB SER 51 HB1 SER 51 -41.957 -2.700 -1.213 442 2HB SER 51 HB2 SER 51 -41.070 -2.371 -2.714 443 HG SER 51 HG1 SER 51 -41.921 -4.224 -3.290 444 H LYS 52 HN LYS 52 -45.196 -2.698 -2.446 445 HA LYS 52 HA LYS 52 -46.379 -1.073 -0.340 446 1HB LYS 52 HB1 LYS 52 -48.015 -3.233 -0.443 447 2HB LYS 52 HB2 LYS 52 -47.158 -3.512 -1.950 448 1HG LYS 52 HG1 LYS 52 -48.504 -0.875 -1.234 449 2HG LYS 52 HG2 LYS 52 -49.272 -2.131 -2.189 450 1HD LYS 52 HD1 LYS 52 -48.291 -1.257 -4.025 451 2HD LYS 52 HD2 LYS 52 -46.733 -1.738 -3.374 452 1HE LYS 52 HE1 LYS 52 -46.768 0.682 -3.866 453 2HE LYS 52 HE2 LYS 52 -46.583 0.401 -2.140 454 1HZ LYS 52 HZ1 LYS 52 -49.310 0.495 -2.696 455 2HZ LYS 52 HZ2 LYS 52 -48.591 1.827 -3.468 456 3HZ LYS 52 HZ3 LYS 52 -48.384 1.600 -1.798 457 H ALA 53 HN ALA 53 -43.834 -2.625 0.119 458 HA ALA 53 HA ALA 53 -44.069 -4.835 1.764 459 1HB ALA 53 HB1 ALA 53 -41.899 -3.729 1.245 460 2HB ALA 53 HB2 ALA 53 -42.062 -3.931 2.986 461 3HB ALA 53 HB3 ALA 53 -42.341 -2.355 2.253 462 H HIS 54 HN HIS 54 -43.588 -1.742 3.414 463 HA HIS 54 HA HIS 54 -46.057 -2.069 4.935 464 1HB HIS 54 HB1 HIS 54 -44.886 -3.494 6.355 465 2HB HIS 54 HB2 HIS 54 -44.450 -1.958 7.090 466 HD1 HIS 54 HD1 HIS 54 -42.967 -4.818 5.530 467 HD2 HIS 54 HD2 HIS 54 -41.799 -0.948 6.140 468 HE1 HIS 54 HE1 HIS 54 -40.531 -4.823 5.290 469 H SER 55 HN SER 55 -46.569 -0.007 4.302 470 HA SER 55 HA SER 55 -45.221 2.115 5.847 471 1HB SER 55 HB1 SER 55 -43.954 2.401 3.829 472 2HB SER 55 HB2 SER 55 -45.319 3.500 3.549 473 HG SER 55 HG1 SER 55 -44.898 0.881 2.600 474 H LYS 56 HN LYS 56 -47.391 1.771 6.840 475 HA LYS 56 HA LYS 56 -49.736 2.622 5.341 476 1HB LYS 56 HB1 LYS 56 -50.786 2.598 7.676 477 2HB LYS 56 HB2 LYS 56 -49.198 2.193 8.318 478 1HG LYS 56 HG1 LYS 56 -49.142 0.114 7.122 479 2HG LYS 56 HG2 LYS 56 -50.526 0.566 6.134 480 1HD LYS 56 HD1 LYS 56 -51.177 -1.012 7.936 481 2HD LYS 56 HD2 LYS 56 -51.979 0.543 8.121 482 1HE LYS 56 HE1 LYS 56 -50.879 -0.517 10.227 483 2HE LYS 56 HE2 LYS 56 -50.585 1.188 9.914 484 1HZ LYS 56 HZ1 LYS 56 -48.616 -0.336 10.463 485 2HZ LYS 56 HZ2 LYS 56 -48.451 0.780 9.194 486 3HZ LYS 56 HZ3 LYS 56 -48.752 -0.857 8.852 487 H LYS 57 HN LYS 57 -47.825 4.570 5.056 488 HA LYS 57 HA LYS 57 -47.833 6.682 6.897 489 1HB LYS 57 HB1 LYS 57 -47.471 8.127 4.797 490 2HB LYS 57 HB2 LYS 57 -47.732 6.668 3.849 491 1HG LYS 57 HG1 LYS 57 -45.910 5.645 5.460 492 2HG LYS 57 HG2 LYS 57 -45.474 7.330 5.721 493 1HD LYS 57 HD1 LYS 57 -45.425 7.559 3.165 494 2HD LYS 57 HD2 LYS 57 -45.498 5.801 3.107 495 1HE LYS 57 HE1 LYS 57 -43.180 6.240 3.079 496 2HE LYS 57 HE2 LYS 57 -43.498 5.884 4.773 497 1HZ LYS 57 HZ1 LYS 57 -43.948 8.516 4.685 498 2HZ LYS 57 HZ2 LYS 57 -42.720 8.366 3.522 499 3HZ LYS 57 LYS 57 -42.461 7.815 5.106 Start of MODEL 21 Raw file had 499 H/Q atoms Start of MODEL 21 1 1H LYS 1 HT1 LYS 1 -9.186 -2.044 -11.138 2 2H LYS 1 HT2 LYS 1 -10.242 -2.722 -12.283 3 3H LYS 1 HT3 LYS 1 -8.623 -3.229 -12.216 4 HA LYS 1 HA LYS 1 -10.285 -4.789 -11.222 5 1HB LYS 1 HB1 LYS 1 -8.824 -5.288 -9.290 6 2HB LYS 1 HB2 LYS 1 -8.153 -3.664 -9.337 7 1HG LYS 1 HG1 LYS 1 -8.009 -5.242 -11.866 8 2HG LYS 1 HG2 LYS 1 -6.964 -5.771 -10.553 9 1HD LYS 1 HD1 LYS 1 -7.067 -2.842 -11.221 10 2HD LYS 1 HD2 LYS 1 -6.135 -3.915 -12.256 11 1HE LYS 1 HE1 LYS 1 -4.789 -4.667 -10.390 12 2HE LYS 1 HE2 LYS 1 -5.821 -3.828 -9.240 13 1HZ LYS 1 HZ1 LYS 1 -4.370 -2.402 -11.382 14 2HZ LYS 1 HZ2 LYS 1 -3.674 -2.707 -9.864 15 3HZ LYS 1 HZ3 LYS 1 -5.076 -1.757 -9.979 16 OH TYR 2 OH TYR 2 -7.988 2.407 -9.373 17 H TYR 2 HN TYR 2 -11.614 -2.240 -11.035 18 HA TYR 2 HA TYR 2 -12.247 -1.991 -8.148 19 1HB TYR 2 HB1 TYR 2 -13.592 -0.030 -8.903 20 2HB TYR 2 HB2 TYR 2 -13.273 -0.455 -10.582 21 HD1 TYR 2 HD2 TYR 2 -11.615 0.545 -7.404 22 HD2 TYR 2 HD1 TYR 2 -11.232 0.195 -11.624 23 HE1 TYR 2 HE2 TYR 2 -9.507 1.796 -7.316 24 HE2 TYR 2 HE1 TYR 2 -9.125 1.444 -11.538 25 HH TYR 2 HH TYR 2 -7.733 2.496 -8.451 26 H ILE 3 HN ILE 3 -12.987 -4.423 -9.155 27 HA ILE 3 HA ILE 3 -15.931 -4.222 -9.611 28 HB ILE 3 HB ILE 3 -14.136 -6.688 -9.777 29 1HG1 ILE 3 HG11 ILE 3 -13.301 -4.952 -11.330 30 2HG1 ILE 3 HG12 ILE 3 -14.917 -4.767 -12.001 31 1HG2 ILE 3 HG21 ILE 3 -15.985 -7.615 -11.051 32 2HG2 ILE 3 HG22 ILE 3 -16.752 -6.038 -11.214 33 3HG2 ILE 3 HG23 ILE 3 -16.714 -6.843 -9.650 34 1HD1 ILE 3 HD1 ILE 3 -14.879 -6.904 -12.992 35 2HD1 ILE 3 HD2 ILE 3 -13.616 -7.487 -11.916 36 3HD1 ILE 3 HD3 ILE 3 -13.220 -6.360 -13.210 37 H CYS 4 HN CYS 4 -16.767 -3.995 -7.497 38 HA CYS 4 HA CYS 4 -15.771 -5.187 -5.176 39 1HB CYS 4 HB1 CYS 4 -18.618 -4.600 -6.010 40 2HB CYS 4 HB2 CYS 4 -17.614 -3.673 -4.935 41 H GLU 5 HN GLU 5 -15.280 -7.198 -4.821 42 HA GLU 5 HA GLU 5 -16.131 -9.411 -6.339 43 1HB GLU 5 HB1 GLU 5 -15.168 -10.768 -4.476 44 2HB GLU 5 HB2 GLU 5 -15.159 -9.340 -3.446 45 1HG GLU 5 HG1 GLU 5 -13.425 -8.330 -4.636 46 2HG GLU 5 HG2 GLU 5 -13.800 -9.198 -6.122 47 H GLU 6 HN GLU 6 -17.730 -7.812 -3.712 48 HA GLU 6 HA GLU 6 -19.428 -10.088 -3.107 49 1HB GLU 6 HB1 GLU 6 -20.050 -7.235 -2.325 50 2HB GLU 6 HB2 GLU 6 -18.700 -8.066 -1.565 51 1HG GLU 6 HG1 GLU 6 -21.459 -9.304 -1.706 52 2HG GLU 6 HG2 GLU 6 -20.973 -8.261 -0.373 53 H CYS 7 HN CYS 7 -20.255 -6.799 -4.190 54 HA CYS 7 HA CYS 7 -22.749 -7.795 -5.346 55 1HB CYS 7 HB1 CYS 7 -23.233 -5.506 -5.801 56 2HB CYS 7 HB2 CYS 7 -21.550 -5.064 -5.826 57 H GLY 8 HN GLY 8 -19.892 -6.109 -6.615 58 1HA GLY 8 HA1 GLY 8 -20.417 -7.397 -9.267 59 2HA GLY 8 HA2 GLY 8 -18.803 -7.069 -8.647 60 H ILE 9 HN ILE 9 -20.150 -4.481 -7.537 61 HA ILE 9 HA ILE 9 -20.932 -2.873 -9.712 62 HB ILE 9 HB ILE 9 -20.959 -2.394 -7.128 63 1HG1 ILE 9 HG11 ILE 9 -20.510 -0.471 -9.378 64 2HG1 ILE 9 HG12 ILE 9 -20.527 0.163 -7.736 65 1HG2 ILE 9 HG21 ILE 9 -19.051 -1.196 -6.250 66 2HG2 ILE 9 HG22 ILE 9 -18.334 -0.993 -7.839 67 3HG2 ILE 9 HG23 ILE 9 -18.353 -2.575 -7.073 68 1HD1 ILE 9 HD1 ILE 9 -22.748 -0.478 -7.369 69 2HD1 ILE 9 HD2 ILE 9 -22.690 -1.741 -8.595 70 3HD1 ILE 9 HD3 ILE 9 -22.790 -0.050 -9.077 71 NH1 ARG 10 NH1 ARG 10 -15.463 -5.958 -15.661 72 NH2 ARG 10 NH2 ARG 10 -17.273 -6.598 -14.422 73 H ARG 10 HN ARG 10 -19.868 -2.066 -11.387 74 HA ARG 10 HA ARG 10 -16.899 -2.276 -11.384 75 1HB ARG 10 HB1 ARG 10 -18.832 -1.774 -13.698 76 2HB ARG 10 HB2 ARG 10 -18.265 -3.368 -13.223 77 1HG ARG 10 HG1 ARG 10 -15.889 -2.006 -13.437 78 2HG ARG 10 HG2 ARG 10 -16.846 -1.218 -14.683 79 1HD ARG 10 HD1 ARG 10 -15.660 -3.180 -15.603 80 2HD ARG 10 HD2 ARG 10 -17.402 -3.433 -15.648 81 HE ARG 10 HE ARG 10 -16.299 -4.478 -13.202 82 1HH1 ARG 10 HH11 ARG 10 -14.789 -5.255 -15.894 83 2HH1 ARG 10 HH12 ARG 10 -15.435 -6.847 -16.118 84 1HH2 ARG 10 HH21 ARG 10 -17.957 -6.377 -13.728 85 2HH2 ARG 10 HH22 ARG 10 -17.277 -7.498 -14.859 86 H ABA 11 HN ABU 11 -16.183 -0.423 -10.445 87 HA ABA 11 HA ABU 11 -17.089 2.157 -11.685 88 1HB ABA 11 HB1 ABU 11 -16.420 3.204 -9.546 89 2HB ABA 11 HB2 ABU 11 -15.872 1.657 -8.933 90 1HG ABA 11 HG1 ABU 11 -18.260 0.810 -9.345 91 2HG ABA 11 HG2 ABU 11 -18.709 2.497 -9.578 92 3HG ABA 11 HG3 ABU 11 -18.069 1.961 -8.028 93 H LYS 12 HN LYS 12 -15.615 2.505 -13.225 94 HA LYS 12 HA LYS 12 -12.886 1.781 -13.111 95 1HB LYS 12 HB1 LYS 12 -12.651 3.390 -15.020 96 2HB LYS 12 HB2 LYS 12 -14.257 4.013 -14.668 97 1HG LYS 12 HG1 LYS 12 -14.502 1.180 -14.798 98 2HG LYS 12 HG2 LYS 12 -13.512 1.646 -16.173 99 1HD LYS 12 HD1 LYS 12 -16.136 3.029 -15.513 100 2HD LYS 12 HD2 LYS 12 -16.034 1.640 -16.584 101 1HE LYS 12 HE1 LYS 12 -14.471 2.841 -18.051 102 2HE LYS 12 HE2 LYS 12 -14.490 4.227 -16.970 103 1HZ LYS 12 HZ1 LYS 12 -15.982 4.710 -18.690 104 2HZ LYS 12 HZ2 LYS 12 -16.953 4.295 -17.358 105 3HZ LYS 12 HZ3 LYS 12 -16.710 3.177 -18.614 106 H LYS 13 HN LYS 13 -14.188 3.737 -10.937 107 HA LYS 13 HA LYS 13 -11.750 5.431 -10.814 108 1HB LYS 13 HB1 LYS 13 -13.192 7.276 -9.905 109 2HB LYS 13 HB2 LYS 13 -14.604 6.255 -10.150 110 1HG LYS 13 HG1 LYS 13 -14.254 6.221 -12.542 111 2HG LYS 13 HG2 LYS 13 -12.690 7.010 -12.378 112 1HD LYS 13 HD1 LYS 13 -13.706 9.063 -11.640 113 2HD LYS 13 HD2 LYS 13 -15.276 8.289 -11.450 114 1HE LYS 13 HE1 LYS 13 -14.018 8.105 -14.145 115 2HE LYS 13 HE2 LYS 13 -14.610 9.689 -13.661 116 1HZ LYS 13 HZ1 LYS 13 -16.578 7.908 -12.941 117 2HZ LYS 13 HZ2 LYS 13 -16.073 7.411 -14.484 118 3HZ LYS 13 HZ3 LYS 13 -16.610 9.002 -14.238 119 HA PRO 14 HA PRO 14 -11.380 3.739 -6.703 120 1HB PRO 14 HB1 PRO 14 -9.289 4.566 -6.200 121 2HB PRO 14 HB2 PRO 14 -10.056 6.029 -5.579 122 1HG PRO 14 HG1 PRO 14 -8.429 5.839 -7.905 123 2HG PRO 14 HG2 PRO 14 -9.399 7.231 -7.421 124 1HD PRO 14 HD1 PRO 14 -10.719 6.848 -9.255 125 2HD PRO 14 HD2 PRO 14 -9.882 5.317 -9.575 126 H SER 15 HN SER 15 -11.751 7.289 -6.431 127 HA SER 15 HA SER 15 -13.071 7.495 -4.036 128 1HB SER 15 HB1 SER 15 -12.687 9.517 -5.358 129 2HB SER 15 HB2 SER 15 -14.451 9.393 -5.204 130 HG SER 15 HG1 SER 15 -12.796 8.861 -7.386 131 H MET 16 HN MET 16 -14.495 6.370 -7.060 132 HA MET 16 HA MET 16 -17.176 6.226 -5.964 133 1HB MET 16 HB1 MET 16 -17.440 4.655 -8.052 134 2HB MET 16 HB2 MET 16 -15.791 5.142 -8.436 135 1HG MET 16 HG1 MET 16 -17.125 6.700 -9.577 136 2HG MET 16 HG2 MET 16 -16.585 7.541 -8.149 137 1HE MET 16 HE1 MET 16 -18.507 9.552 -8.073 138 2HE MET 16 HE2 MET 16 -19.886 9.160 -9.102 139 3HE MET 16 HE3 MET 16 -18.244 8.877 -9.681 140 H LEU 17 HN LEU 17 -14.857 3.654 -6.913 141 HA LEU 17 HA LEU 17 -16.324 1.556 -5.677 142 1HB LEU 17 HB1 LEU 17 -13.288 1.639 -5.812 143 2HB LEU 17 HB2 LEU 17 -14.229 1.493 -7.278 144 HG LEU 17 HG LEU 17 -13.470 -0.727 -6.369 145 1HD1 LEU 17 HD11 LEU 17 -14.281 -1.598 -4.319 146 2HD1 LEU 17 HD12 LEU 17 -15.458 -0.311 -4.131 147 3HD1 LEU 17 HD13 LEU 17 -13.746 0.031 -3.937 148 1HD2 LEU 17 HD21 LEU 17 -16.472 -0.708 -6.117 149 2HD2 LEU 17 HD22 LEU 17 -15.427 -1.852 -6.944 150 3HD2 LEU 17 HD23 LEU 17 -15.732 -0.274 -7.648 151 H LYS 18 HN LYS 18 -13.484 3.320 -4.560 152 HA LYS 18 HA LYS 18 -13.035 2.399 -2.058 153 1HB LYS 18 HB1 LYS 18 -13.403 5.381 -2.589 154 2HB LYS 18 HB2 LYS 18 -12.032 4.476 -3.216 155 1HG LYS 18 HG1 LYS 18 -12.632 4.162 -0.316 156 2HG LYS 18 HG2 LYS 18 -11.971 5.711 -0.818 157 1HD LYS 18 HD1 LYS 18 -10.743 3.054 -1.631 158 2HD LYS 18 HD2 LYS 18 -10.250 3.918 -0.181 159 1HE LYS 18 HE1 LYS 18 -10.283 5.777 -2.382 160 2HE LYS 18 HE2 LYS 18 -9.368 4.355 -2.860 161 1HZ LYS 18 HZ1 LYS 18 -8.657 5.003 -0.240 162 2HZ LYS 18 HZ2 LYS 18 -8.586 6.428 -1.161 163 3HZ LYS 18 HZ3 LYS 18 -7.696 5.063 -1.639 164 H LYS 19 HN LYS 19 -15.524 4.867 -2.737 165 HA LYS 19 HA LYS 19 -16.572 4.804 -0.083 166 1HB LYS 19 HB1 LYS 19 -18.688 5.614 -1.713 167 2HB LYS 19 HB2 LYS 19 -17.286 5.991 -2.706 168 1HG LYS 19 HG1 LYS 19 -17.584 6.860 0.193 169 2HG LYS 19 HG2 LYS 19 -17.990 7.876 -1.183 170 1HD LYS 19 HD1 LYS 19 -15.693 7.765 -2.006 171 2HD LYS 19 HD2 LYS 19 -15.257 6.636 -0.729 172 1HE LYS 19 HE1 LYS 19 -15.479 8.281 0.961 173 2HE LYS 19 HE2 LYS 19 -16.430 9.341 -0.074 174 1HZ LYS 19 HZ1 LYS 19 -13.531 8.790 -0.194 175 2HZ LYS 19 HZ2 LYS 19 -14.316 10.283 0.003 176 3HZ LYS 19 HZ3 LYS 19 -14.366 9.487 -1.497 177 H HIS 20 HN HIS 20 -17.437 3.101 -3.052 178 HA HIS 20 HA HIS 20 -19.843 1.910 -2.138 179 1HB HIS 20 HB1 HIS 20 -17.728 0.833 -4.046 180 2HB HIS 20 HB2 HIS 20 -19.148 1.756 -4.511 181 HD1 HIS 20 HD1 HIS 20 -21.087 0.262 -5.024 182 HD2 HIS 20 HD2 HIS 20 -18.341 -1.705 -2.752 183 HE1 HIS 20 HE1 HIS 20 -21.936 -2.027 -4.813 184 H ILE 21 HN ILE 21 -16.481 0.706 -1.934 185 HA ILE 21 HA ILE 21 -17.252 -1.734 -0.673 186 HB ILE 21 HB ILE 21 -14.895 -0.921 -1.672 187 1HG1 ILE 21 HG11 ILE 21 -15.548 -2.922 0.472 188 2HG1 ILE 21 HG12 ILE 21 -13.865 -2.699 0.013 189 1HG2 ILE 21 HG21 ILE 21 -14.385 -0.702 1.329 190 2HG2 ILE 21 HG22 ILE 21 -14.733 0.726 0.374 191 3HG2 ILE 21 HG23 ILE 21 -13.317 -0.235 0.012 192 1HD1 ILE 21 HD1 ILE 21 -16.142 -3.368 -1.885 193 2HD1 ILE 21 HD2 ILE 21 -14.897 -4.484 -1.338 194 3HD1 ILE 21 HD3 ILE 21 -14.467 -3.117 -2.359 195 NH1 ARG 22 NH1 ARG 22 -17.703 5.555 5.024 196 NH2 ARG 22 NH2 ARG 22 -16.256 7.183 4.333 197 H ARG 22 HN ARG 22 -16.719 1.483 0.603 198 HA ARG 22 HA ARG 22 -16.542 0.663 3.374 199 1HB ARG 22 HB1 ARG 22 -17.354 3.103 3.755 200 2HB ARG 22 HB2 ARG 22 -17.376 3.264 2.005 201 1HG ARG 22 HG1 ARG 22 -15.019 2.914 1.838 202 2HG ARG 22 HG2 ARG 22 -14.912 2.304 3.484 203 1HD ARG 22 HD1 ARG 22 -14.368 4.900 2.776 204 2HD ARG 22 HD2 ARG 22 -14.864 4.405 4.393 205 HE ARG 22 HE ARG 22 -16.933 5.191 2.390 206 1HH1 ARG 22 HH11 ARG 22 -18.093 4.644 4.893 207 2HH1 ARG 22 HH12 ARG 22 -18.011 6.126 5.786 208 1HH2 ARG 22 HH21 ARG 22 -15.561 7.492 3.683 209 2HH2 ARG 22 HH22 ARG 22 -16.540 7.781 5.083 210 H THR 23 HN THR 23 -19.214 1.180 1.183 211 HA THR 23 HA THR 23 -21.259 1.476 3.138 212 HB THR 23 HB THR 23 -21.650 -0.073 0.513 213 HG1 THR 23 HG1 THR 23 -20.322 1.687 0.099 214 1HG2 THR 23 HG21 THR 23 -23.870 0.485 0.957 215 2HG2 THR 23 HG22 THR 23 -23.416 2.181 0.899 216 3HG2 THR 23 HG23 THR 23 -23.398 1.316 2.431 217 H HIS 24 HN HIS 24 -19.504 -1.360 2.087 218 HA HIS 24 HA HIS 24 -21.432 -3.264 3.170 219 1HB HIS 24 HB1 HIS 24 -19.360 -4.839 2.997 220 2HB HIS 24 HB2 HIS 24 -18.508 -3.458 2.312 221 HD1 HIS 24 HD1 HIS 24 -21.810 -5.131 1.596 222 HD2 HIS 24 HD2 HIS 24 -18.673 -3.461 -0.391 223 HE1 HIS 24 HE1 HIS 24 -22.339 -5.365 -0.805 224 H THR 25 HN THR 25 -20.222 -1.025 4.864 225 HA THR 25 HA THR 25 -18.965 -2.663 6.998 226 HB THR 25 HB THR 25 -18.538 -0.316 7.981 227 HG1 THR 25 HG1 THR 25 -19.002 1.219 6.094 228 1HG2 THR 25 HG21 THR 25 -16.682 -0.951 6.580 229 2HG2 THR 25 HG22 THR 25 -17.239 0.533 5.815 230 3HG2 THR 25 HG23 THR 25 -17.698 -1.030 5.146 231 H ASP 26 HN ASP 26 -20.484 0.185 7.948 232 HA ASP 26 HA ASP 26 -23.063 -0.986 8.619 233 1HB ASP 26 HB1 ASP 26 -22.702 -0.703 11.106 234 2HB ASP 26 HB2 ASP 26 -21.012 -0.315 10.793 235 H VAL 27 HN VAL 27 -21.912 1.234 7.206 236 HA VAL 27 HA VAL 27 -22.812 3.545 8.849 237 HB VAL 27 HB VAL 27 -20.572 3.661 7.790 238 1HG1 VAL 27 HG11 VAL 27 -20.308 3.606 5.372 239 2HG1 VAL 27 HG12 VAL 27 -22.046 3.462 5.145 240 3HG1 VAL 27 HG13 VAL 27 -21.146 2.147 5.876 241 1HG2 VAL 27 HG21 VAL 27 -22.593 5.597 7.624 242 2HG2 VAL 27 HG22 VAL 27 -21.853 5.599 6.027 243 3HG2 VAL 27 HG23 VAL 27 -20.865 5.881 7.455 244 NH1 ARG 28 NH1 ARG 28 -25.357 -2.982 5.265 245 NH2 ARG 28 NH2 ARG 28 -23.341 -2.593 6.266 246 H ARG 28 HN ARG 28 -24.825 1.887 7.913 247 HA ARG 28 HA ARG 28 -26.090 3.538 5.762 248 1HB ARG 28 HB1 ARG 28 -27.492 1.428 5.401 249 2HB ARG 28 HB2 ARG 28 -26.400 0.603 6.505 250 1HG ARG 28 HG1 ARG 28 -24.560 1.669 4.888 251 2HG ARG 28 HG2 ARG 28 -25.894 1.633 3.743 252 1HD ARG 28 HD1 ARG 28 -24.626 -0.468 3.603 253 2HD ARG 28 HD2 ARG 28 -26.231 -0.787 4.255 254 HE ARG 28 HE ARG 28 -24.433 -0.300 6.425 255 1HH1 ARG 28 HH11 ARG 28 -26.199 -2.619 4.865 256 2HH1 ARG 28 HH12 ARG 28 -25.208 -3.970 5.304 257 1HH2 ARG 28 HH21 ARG 28 -22.671 -1.938 6.615 258 2HH2 ARG 28 HH22 ARG 28 -23.158 -3.574 6.322 259 HA PRO 29 HA PRO 29 -28.547 4.129 9.647 260 1HB PRO 29 HB1 PRO 29 -28.173 6.355 10.076 261 2HB PRO 29 HB2 PRO 29 -29.235 6.786 8.736 262 1HG PRO 29 HG1 PRO 29 -26.344 6.985 8.847 263 2HG PRO 29 HG2 PRO 29 -27.409 7.455 7.521 264 1HD PRO 29 HD1 PRO 29 -26.799 5.618 6.324 265 2HD PRO 29 HD2 PRO 29 -25.635 5.214 7.594 266 OH TYR 30 OH TYR 30 -30.180 10.384 4.512 267 H TYR 30 HN TYR 30 -29.230 4.581 6.273 268 HA TYR 30 HA TYR 30 -32.110 4.930 6.664 269 1HB TYR 30 HB1 TYR 30 -32.156 4.594 4.147 270 2HB TYR 30 HB2 TYR 30 -30.429 4.264 4.199 271 HD1 TYR 30 HD1 TYR 30 -32.895 6.851 5.320 272 HD2 TYR 30 HD2 TYR 30 -28.946 6.066 3.946 273 HE1 TYR 30 HE1 TYR 30 -32.440 9.260 5.246 274 HE2 TYR 30 HE2 TYR 30 -28.493 8.474 3.873 275 HH TYR 30 HH TYR 30 -29.309 10.510 4.130 276 H HIS 31 HN HIS 31 -32.766 3.140 7.876 277 HA HIS 31 HA HIS 31 -32.430 0.458 6.605 278 1HB HIS 31 HB1 HIS 31 -33.514 -0.221 8.915 279 2HB HIS 31 HB2 HIS 31 -33.138 1.431 9.396 280 HD1 HIS 31 HD1 HIS 31 -31.642 -1.718 9.373 281 HD2 HIS 31 HD2 HIS 31 -30.224 2.037 8.796 282 HE1 HIS 31 HE1 HIS 31 -29.250 -1.892 9.747 283 H CYS 32 HN CYS 32 -34.142 -0.571 5.682 284 HA CYS 32 HA CYS 32 -36.552 0.790 5.120 285 1HB CYS 32 HB1 CYS 32 -35.744 -2.125 5.158 286 2HB CYS 32 HB2 CYS 32 -36.106 -1.119 3.780 287 H THR 33 HN THR 33 -38.661 0.599 6.000 288 HA THR 33 HA THR 33 -38.628 0.190 8.912 289 HB THR 33 HB THR 33 -41.092 0.878 7.236 290 HG1 THR 33 HG1 THR 33 -39.040 2.061 6.771 291 1HG2 THR 33 HG21 THR 33 -40.330 2.399 9.678 292 2HG2 THR 33 HG22 THR 33 -40.641 0.697 10.004 293 3HG2 THR 33 HG23 THR 33 -41.893 1.696 9.272 294 OH TYR 34 OH TYR 34 -44.795 0.215 5.595 295 H TYR 34 HN TYR 34 -38.536 -2.034 6.803 296 HA TYR 34 HA TYR 34 -40.516 -3.757 8.197 297 1HB TYR 34 HB1 TYR 34 -41.241 -4.754 6.044 298 2HB TYR 34 HB2 TYR 34 -40.130 -3.722 5.159 299 HD1 TYR 34 HD2 TYR 34 -40.480 -1.135 5.443 300 HD2 TYR 34 HD1 TYR 34 -43.442 -4.022 6.428 301 HE1 TYR 34 HE2 TYR 34 -42.223 0.574 5.219 302 HE2 TYR 34 HE1 TYR 34 -45.181 -2.306 6.212 303 HH TYR 34 HH TYR 34 -45.132 0.402 6.474 304 H CYS 35 HN CYS 35 -38.254 -4.038 5.475 305 HA CYS 35 HA CYS 35 -37.307 -6.630 6.258 306 1HB CYS 35 HB1 CYS 35 -35.627 -6.291 4.528 307 2HB CYS 35 HB2 CYS 35 -35.819 -4.564 4.600 308 H ASN 36 HN ASN 36 -34.532 -6.301 5.937 309 HA ASN 36 HA ASN 36 -33.759 -4.837 8.425 310 1HB ASN 36 HB1 ASN 36 -32.512 -7.458 7.485 311 2HB ASN 36 HB2 ASN 36 -33.887 -7.435 8.584 312 1HD2 ASN 36 HD21 ASN 36 -33.369 -7.303 10.763 313 2HD2 ASN 36 HD22 ASN 36 -31.885 -6.757 11.383 314 H PHE 37 HN PHE 37 -33.512 -4.850 5.225 315 HA PHE 37 HA PHE 37 -30.625 -4.593 4.892 316 1HB PHE 37 HB1 PHE 37 -32.630 -3.473 2.932 317 2HB PHE 37 HB2 PHE 37 -32.559 -5.219 3.150 318 HD1 PHE 37 HD2 PHE 37 -30.306 -6.383 2.849 319 HD2 PHE 37 HD1 PHE 37 -30.958 -2.342 1.675 320 HE1 PHE 37 HE2 PHE 37 -28.318 -6.478 1.409 321 HE2 PHE 37 HE1 PHE 37 -28.966 -2.440 0.242 322 HZ PHE 37 HZ PHE 37 -27.645 -4.507 0.108 323 H SER 38 HN SER 38 -29.607 -2.604 4.129 324 HA SER 38 HA SER 38 -31.046 -0.125 4.824 325 1HB SER 38 HB1 SER 38 -28.289 -0.672 5.998 326 2HB SER 38 HB2 SER 38 -29.769 -1.080 6.880 327 HG SER 38 HG1 SER 38 -30.371 1.003 6.888 328 H PHE 39 HN PHE 39 -30.018 1.788 4.051 329 HA PHE 39 HA PHE 39 -27.954 1.274 1.944 330 1HB PHE 39 HB1 PHE 39 -29.176 2.696 0.452 331 2HB PHE 39 HB2 PHE 39 -30.136 3.375 1.766 332 HD1 PHE 39 HD2 PHE 39 -31.845 1.920 2.923 333 HD2 PHE 39 HD1 PHE 39 -29.841 0.641 -0.613 334 HE1 PHE 39 HE2 PHE 39 -33.541 0.177 2.586 335 HE2 PHE 39 HE1 PHE 39 -31.553 -1.087 -0.952 336 HZ PHE 39 HZ PHE 39 -33.406 -1.316 0.645 337 H LYS 40 HN LYS 40 -26.638 3.099 1.397 338 HA LYS 40 HA LYS 40 -25.957 4.697 3.756 339 1HB LYS 40 HB1 LYS 40 -24.765 4.341 0.969 340 2HB LYS 40 HB2 LYS 40 -24.132 3.721 2.478 341 1HG LYS 40 HG1 LYS 40 -24.256 6.662 1.695 342 2HG LYS 40 HG2 LYS 40 -22.815 5.665 1.730 343 1HD LYS 40 HD1 LYS 40 -23.279 5.240 4.185 344 2HD LYS 40 HD2 LYS 40 -24.516 6.486 4.096 345 1HE LYS 40 HE1 LYS 40 -21.556 6.810 3.534 346 2HE LYS 40 HE2 LYS 40 -22.468 7.534 4.852 347 1HZ LYS 40 HZ1 LYS 40 -23.860 8.534 2.940 348 2HZ LYS 40 HZ2 LYS 40 -22.486 8.212 1.996 349 3HZ LYS 40 HZ3 LYS 40 -22.366 9.234 3.347 350 H THR 41 HN THR 41 -27.876 5.056 0.980 351 HA THR 41 HA THR 41 -27.981 8.011 1.447 352 HB THR 41 HB THR 41 -28.013 8.406 -0.935 353 HG1 THR 41 HG1 THR 41 -28.992 6.971 -2.148 354 1HG2 THR 41 HG21 THR 41 -25.781 7.259 -0.090 355 2HG2 THR 41 HG22 THR 41 -26.089 7.184 -1.821 356 3HG2 THR 41 HG23 THR 41 -26.424 5.785 -0.807 357 H LYS 42 HN LYS 42 -29.966 9.019 0.895 358 HA LYS 42 HA LYS 42 -32.241 7.440 1.692 359 1HB LYS 42 HB1 LYS 42 -32.179 10.264 0.537 360 2HB LYS 42 HB2 LYS 42 -31.876 9.907 2.232 361 1HG LYS 42 HG1 LYS 42 -34.098 9.814 2.639 362 2HG LYS 42 HG2 LYS 42 -34.284 8.559 1.426 363 1HD LYS 42 HD1 LYS 42 -35.672 10.515 0.853 364 2HD LYS 42 HD2 LYS 42 -34.412 10.279 -0.350 365 1HE LYS 42 HE1 LYS 42 -34.920 12.665 0.941 366 2HE LYS 42 HE2 LYS 42 -33.402 12.256 0.156 367 1HZ LYS 42 HZ1 LYS 42 -33.945 11.571 2.979 368 2HZ LYS 42 HZ2 LYS 42 -33.272 13.059 2.518 369 3HZ LYS 42 HZ3 LYS 42 -32.451 11.615 2.174 370 H GLY 43 HN GLY 43 -30.781 8.297 -1.294 371 1HA GLY 43 HA1 GLY 43 -31.416 7.837 -3.513 372 2HA GLY 43 HA2 GLY 43 -33.062 8.225 -3.016 373 H ASN 44 HN ASN 44 -30.642 5.636 -2.768 374 HA ASN 44 HA ASN 44 -32.115 3.588 -3.903 375 1HB ASN 44 HB1 ASN 44 -30.791 2.107 -2.161 376 2HB ASN 44 HB2 ASN 44 -30.080 3.632 -1.646 377 1HD2 ASN 44 HD21 ASN 44 -28.303 1.855 -2.716 378 2HD2 ASN 44 HD22 ASN 44 -27.855 2.302 -4.290 379 H LEU 45 HN LEU 45 -32.227 4.705 -0.552 380 HA LEU 45 HA LEU 45 -33.922 2.694 0.474 381 1HB LEU 45 HB1 LEU 45 -33.717 5.679 1.154 382 2HB LEU 45 HB2 LEU 45 -32.822 4.380 1.913 383 HG LEU 45 HG LEU 45 -34.566 4.866 3.454 384 1HD1 LEU 45 HD11 LEU 45 -36.907 4.507 1.674 385 2HD1 LEU 45 HD12 LEU 45 -35.961 5.943 1.331 386 3HD1 LEU 45 HD13 LEU 45 -36.626 5.695 2.937 387 1HD2 LEU 45 HD21 LEU 45 -35.778 2.816 3.606 388 2HD2 LEU 45 HD22 LEU 45 -34.267 2.413 2.800 389 3HD2 LEU 45 HD23 LEU 45 -35.747 2.568 1.867 390 H THR 46 HN THR 46 -34.777 5.850 -0.928 391 HA THR 46 HA THR 46 -37.595 5.515 -0.762 392 HB THR 46 HB THR 46 -35.894 7.071 -2.806 393 HG1 THR 46 HG1 THR 46 -36.775 8.716 -1.228 394 1HG2 THR 46 HG21 THR 46 -38.863 7.139 -2.030 395 2HG2 THR 46 HG22 THR 46 -38.204 6.988 -3.656 396 3HG2 THR 46 HG23 THR 46 -38.067 8.514 -2.788 397 H LYS 47 HN LYS 47 -35.249 4.442 -3.143 398 HA LYS 47 HA LYS 47 -37.165 3.649 -5.135 399 1HB LYS 47 HB1 LYS 47 -34.367 2.563 -4.542 400 2HB LYS 47 HB2 LYS 47 -34.722 3.927 -5.593 401 1HG LYS 47 HG1 LYS 47 -36.340 2.156 -6.759 402 2HG LYS 47 HG2 LYS 47 -35.218 1.006 -6.042 403 1HD LYS 47 HD1 LYS 47 -34.127 1.409 -8.049 404 2HD LYS 47 HD2 LYS 47 -33.404 2.676 -7.065 405 1HE LYS 47 HE1 LYS 47 -35.264 4.215 -7.857 406 2HE LYS 47 HE2 LYS 47 -35.731 2.953 -8.990 407 1HZ LYS 47 HZ1 LYS 47 -33.145 3.111 -9.511 408 2HZ LYS 47 HZ2 LYS 47 -33.424 4.712 -9.022 409 3HZ LYS 47 HZ3 LYS 47 -34.310 4.051 -10.310 410 H HIS 48 HN HIS 48 -35.709 1.990 -2.379 411 HA HIS 48 HA HIS 48 -36.767 -0.606 -3.020 412 1HB HIS 48 HB1 HIS 48 -35.897 0.685 -0.388 413 2HB HIS 48 HB2 HIS 48 -34.963 -0.426 -1.386 414 HD1 HIS 48 HD1 HIS 48 -36.424 -2.796 -1.673 415 HD2 HIS 48 HD2 HIS 48 -37.109 -0.615 1.717 416 HE1 HIS 48 HE1 HIS 48 -37.426 -4.364 -0.086 417 H MET 49 HN MET 49 -38.064 2.186 -1.359 418 HA MET 49 HA MET 49 -40.359 0.749 -0.280 419 1HB MET 49 HB1 MET 49 -41.197 3.149 0.106 420 2HB MET 49 HB2 MET 49 -39.711 3.710 -0.652 421 1HG MET 49 HG1 MET 49 -39.282 3.700 1.679 422 2HG MET 49 HG2 MET 49 -38.440 2.324 1.018 423 1HE MET 49 HE1 MET 49 -38.492 2.814 3.721 424 2HE MET 49 HE2 MET 49 -39.477 1.790 4.766 425 3HE MET 49 HE3 MET 49 -40.109 3.333 4.193 426 H LYS 50 HN LYS 50 -39.651 2.580 -3.184 427 HA LYS 50 HA LYS 50 -42.343 2.936 -4.075 428 1HB LYS 50 HB1 LYS 50 -40.014 2.427 -5.957 429 2HB LYS 50 HB2 LYS 50 -40.072 3.905 -5.002 430 1HG LYS 50 HG1 LYS 50 -41.970 4.699 -6.097 431 2HG LYS 50 HG2 LYS 50 -42.518 3.086 -6.535 432 1HD LYS 50 HD1 LYS 50 -41.640 4.353 -8.500 433 2HD LYS 50 HD2 LYS 50 -40.717 2.887 -8.185 434 1HE LYS 50 HE1 LYS 50 -39.394 5.085 -8.607 435 2HE LYS 50 HE2 LYS 50 -38.908 4.082 -7.247 436 1HZ LYS 50 HZ1 LYS 50 -39.286 6.619 -6.949 437 2HZ LYS 50 HZ2 LYS 50 -39.776 5.533 -5.738 438 3HZ LYS 50 HZ3 LYS 50 -40.919 6.172 -6.819 439 H SER 51 HN SER 51 -40.458 0.134 -3.770 440 HA SER 51 HA SER 51 -41.628 -1.363 -5.965 441 1HB SER 51 HB1 SER 51 -40.145 -2.181 -3.412 442 2HB SER 51 HB2 SER 51 -39.510 -2.172 -5.069 443 HG SER 51 HG1 SER 51 -40.239 -4.258 -4.458 444 H LYS 52 HN LYS 52 -43.285 -2.866 -5.898 445 HA LYS 52 HA LYS 52 -45.479 -2.279 -4.173 446 1HB LYS 52 HB1 LYS 52 -45.921 -3.339 -6.309 447 2HB LYS 52 HB2 LYS 52 -46.356 -4.533 -5.091 448 1HG LYS 52 HG1 LYS 52 -43.957 -5.424 -5.324 449 2HG LYS 52 HG2 LYS 52 -43.837 -4.422 -6.767 450 1HD LYS 52 HD1 LYS 52 -45.979 -5.556 -7.578 451 2HD LYS 52 HD2 LYS 52 -45.775 -6.695 -6.251 452 1HE LYS 52 HE1 LYS 52 -43.873 -6.196 -8.558 453 2HE LYS 52 HE2 LYS 52 -44.732 -7.685 -8.187 454 1HZ LYS 52 HZ1 LYS 52 -42.605 -8.041 -7.390 455 2HZ LYS 52 HZ2 LYS 52 -43.466 -7.597 -5.995 456 3HZ LYS 52 HZ3 LYS 52 -42.454 -6.469 -6.763 457 H ALA 53 HN ALA 53 -42.656 -3.711 -3.357 458 HA ALA 53 HA ALA 53 -43.237 -6.013 -1.897 459 1HB ALA 53 HB1 ALA 53 -41.417 -3.681 -1.116 460 2HB ALA 53 HB2 ALA 53 -40.950 -5.073 -2.089 461 3HB ALA 53 HB3 ALA 53 -41.350 -5.281 -0.386 462 H HIS 54 HN HIS 54 -42.746 -3.037 -0.053 463 HA HIS 54 HA HIS 54 -45.401 -3.269 1.167 464 1HB HIS 54 HB1 HIS 54 -44.401 -4.815 2.627 465 2HB HIS 54 HB2 HIS 54 -44.084 -3.315 3.489 466 HD1 HIS 54 HD1 HIS 54 -42.362 -6.016 1.789 467 HD2 HIS 54 HD2 HIS 54 -41.345 -2.307 3.176 468 HE1 HIS 54 HE1 HIS 54 -39.914 -6.001 1.893 469 H SER 55 HN SER 55 -45.704 -1.145 0.493 470 HA SER 55 HA SER 55 -44.510 0.840 2.310 471 1HB SER 55 HB1 SER 55 -43.837 2.313 0.326 472 2HB SER 55 HB2 SER 55 -44.155 0.926 -0.736 473 HG SER 55 HG1 SER 55 -42.252 1.215 1.320 474 H LYS 56 HN LYS 56 -47.108 -0.004 2.256 475 HA LYS 56 HA LYS 56 -48.752 1.697 0.568 476 1HB LYS 56 HB1 LYS 56 -50.599 0.878 2.083 477 2HB LYS 56 HB2 LYS 56 -49.389 0.124 3.114 478 1HG LYS 56 HG1 LYS 56 -48.688 -1.361 1.350 479 2HG LYS 56 HG2 LYS 56 -49.639 -0.494 0.154 480 1HD LYS 56 HD1 LYS 56 -50.816 -1.934 2.562 481 2HD LYS 56 HD2 LYS 56 -50.724 -2.630 0.951 482 1HE LYS 56 HE1 LYS 56 -52.824 -1.718 0.756 483 2HE LYS 56 HE2 LYS 56 -51.922 -0.265 0.351 484 1HZ LYS 56 HZ1 LYS 56 -52.210 -0.625 3.171 485 2HZ LYS 56 HZ2 LYS 56 -53.708 -0.527 2.377 486 3HZ LYS 56 HZ3 LYS 56 -52.573 0.724 2.206 487 H LYS 57 HN LYS 57 -46.773 3.139 2.062 488 HA LYS 57 HA LYS 57 -47.717 4.390 4.387 489 1HB LYS 57 HB1 LYS 57 -45.434 4.734 3.442 490 2HB LYS 57 HB2 LYS 57 -46.225 6.283 3.710 491 1HG LYS 57 HG1 LYS 57 -46.744 6.530 1.385 492 2HG LYS 57 HG2 LYS 57 -46.346 4.849 1.044 493 1HD LYS 57 HD1 LYS 57 -43.975 5.324 1.702 494 2HD LYS 57 HD2 LYS 57 -44.403 7.019 1.903 495 1HE LYS 57 HE1 LYS 57 -44.531 5.390 -0.653 496 2HE LYS 57 HE2 LYS 57 -43.477 6.758 -0.319 497 1HZ LYS 57 HZ1 LYS 57 -45.075 7.886 -1.373 498 2HZ LYS 57 HZ2 LYS 57 -45.867 7.838 0.128 499 3HZ LYS 57 LYS 57 -46.268 6.714 -1.080 Start of MODEL 22 Raw file had 499 H/Q atoms Start of MODEL 22 1 1H LYS 1 HT1 LYS 1 -8.967 -1.147 -11.767 2 2H LYS 1 HT2 LYS 1 -10.113 -1.935 -12.741 3 3H LYS 1 HT3 LYS 1 -8.487 -2.421 -12.781 4 HA LYS 1 HA LYS 1 -10.005 -3.906 -11.499 5 1HB LYS 1 HB1 LYS 1 -8.399 -3.876 -9.442 6 2HB LYS 1 HB2 LYS 1 -7.589 -2.535 -10.243 7 1HG LYS 1 HG1 LYS 1 -7.494 -4.085 -12.317 8 2HG LYS 1 HG2 LYS 1 -7.879 -5.388 -11.199 9 1HD LYS 1 HD1 LYS 1 -5.611 -5.478 -10.911 10 2HD LYS 1 HD2 LYS 1 -5.887 -4.119 -9.827 11 1HE LYS 1 HE1 LYS 1 -5.657 -2.629 -11.923 12 2HE LYS 1 HE2 LYS 1 -4.991 -4.052 -12.714 13 1HZ LYS 1 HZ1 LYS 1 -3.101 -3.161 -11.901 14 2HZ LYS 1 HZ2 LYS 1 -3.535 -4.075 -10.537 15 3HZ LYS 1 HZ3 LYS 1 -3.866 -2.410 -10.585 16 OH TYR 2 OH TYR 2 -7.979 2.358 -9.849 17 H TYR 2 HN TYR 2 -12.039 -2.947 -11.070 18 HA TYR 2 HA TYR 2 -12.230 -1.960 -8.296 19 1HB TYR 2 HB1 TYR 2 -13.579 0.020 -8.971 20 2HB TYR 2 HB2 TYR 2 -13.388 -0.417 -10.669 21 HD1 TYR 2 HD2 TYR 2 -11.458 0.507 -7.619 22 HD2 TYR 2 HD1 TYR 2 -11.453 0.268 -11.864 23 HE1 TYR 2 HE2 TYR 2 -9.327 1.715 -7.683 24 HE2 TYR 2 HE1 TYR 2 -9.322 1.477 -11.932 25 HH TYR 2 HH TYR 2 -7.400 1.904 -10.465 26 H ILE 3 HN ILE 3 -13.020 -4.395 -9.130 27 HA ILE 3 HA ILE 3 -15.972 -4.194 -9.522 28 HB ILE 3 HB ILE 3 -14.193 -6.675 -9.667 29 1HG1 ILE 3 HG11 ILE 3 -14.281 -6.337 -12.169 30 2HG1 ILE 3 HG12 ILE 3 -13.324 -5.144 -11.307 31 1HG2 ILE 3 HG21 ILE 3 -16.350 -7.562 -9.715 32 2HG2 ILE 3 HG22 ILE 3 -16.311 -7.074 -11.402 33 3HG2 ILE 3 HG23 ILE 3 -17.085 -6.046 -10.209 34 1HD1 ILE 3 HD1 ILE 3 -15.072 -4.357 -13.119 35 2HD1 ILE 3 HD2 ILE 3 -14.885 -3.446 -11.626 36 3HD1 ILE 3 HD3 ILE 3 -16.230 -4.565 -11.814 37 H CYS 4 HN CYS 4 -16.809 -3.949 -7.451 38 HA CYS 4 HA CYS 4 -15.761 -4.987 -5.084 39 1HB CYS 4 HB1 CYS 4 -18.589 -4.490 -5.986 40 2HB CYS 4 HB2 CYS 4 -17.643 -3.579 -4.847 41 H GLU 5 HN GLU 5 -15.311 -6.952 -4.459 42 HA GLU 5 HA GLU 5 -15.899 -9.291 -5.915 43 1HB GLU 5 HB1 GLU 5 -15.323 -10.403 -3.600 44 2HB GLU 5 HB2 GLU 5 -15.025 -8.753 -3.063 45 1HG GLU 5 HG1 GLU 5 -12.907 -9.330 -3.847 46 2HG GLU 5 HG2 GLU 5 -13.603 -8.629 -5.306 47 H GLU 6 HN GLU 6 -17.845 -7.614 -3.587 48 HA GLU 6 HA GLU 6 -19.527 -9.949 -3.102 49 1HB GLU 6 HB1 GLU 6 -20.204 -7.097 -2.331 50 2HB GLU 6 HB2 GLU 6 -18.981 -7.995 -1.442 51 1HG GLU 6 HG1 GLU 6 -20.647 -9.809 -1.036 52 2HG GLU 6 HG2 GLU 6 -21.869 -8.841 -1.856 53 H CYS 7 HN CYS 7 -20.365 -6.660 -4.159 54 HA CYS 7 HA CYS 7 -22.735 -7.663 -5.516 55 1HB CYS 7 HB1 CYS 7 -23.216 -5.386 -5.967 56 2HB CYS 7 HB2 CYS 7 -21.537 -4.929 -5.932 57 H GLY 8 HN GLY 8 -19.712 -6.119 -6.558 58 1HA GLY 8 HA1 GLY 8 -20.073 -7.410 -9.228 59 2HA GLY 8 HA2 GLY 8 -18.518 -6.956 -8.541 60 H ILE 9 HN ILE 9 -20.083 -4.443 -7.577 61 HA ILE 9 HA ILE 9 -20.876 -2.941 -9.808 62 HB ILE 9 HB ILE 9 -21.014 -2.390 -7.255 63 1HG1 ILE 9 HG11 ILE 9 -21.819 -0.920 -9.099 64 2HG1 ILE 9 HG12 ILE 9 -20.224 -0.189 -9.193 65 1HG2 ILE 9 HG21 ILE 9 -18.400 -2.475 -7.114 66 2HG2 ILE 9 HG22 ILE 9 -19.180 -1.120 -6.324 67 3HG2 ILE 9 HG23 ILE 9 -18.419 -0.898 -7.891 68 1HD1 ILE 9 HD1 ILE 9 -21.974 1.039 -7.759 69 2HD1 ILE 9 HD2 ILE 9 -20.412 0.744 -7.003 70 3HD1 ILE 9 HD3 ILE 9 -21.789 -0.277 -6.605 71 NH1 ARG 10 NH1 ARG 10 -16.516 -3.520 -17.979 72 NH2 ARG 10 NH2 ARG 10 -14.896 -1.938 -18.281 73 H ARG 10 HN ARG 10 -19.818 -2.135 -11.484 74 HA ARG 10 HA ARG 10 -16.852 -2.211 -11.431 75 1HB ARG 10 HB1 ARG 10 -18.774 -1.786 -13.766 76 2HB ARG 10 HB2 ARG 10 -18.128 -3.350 -13.289 77 1HG ARG 10 HG1 ARG 10 -15.794 -2.160 -13.509 78 2HG ARG 10 HG2 ARG 10 -16.679 -0.993 -14.485 79 1HD ARG 10 HD1 ARG 10 -17.546 -2.920 -15.868 80 2HD ARG 10 HD2 ARG 10 -16.465 -3.983 -14.968 81 HE ARG 10 HE ARG 10 -14.650 -2.253 -15.831 82 1HH1 ARG 10 HH11 ARG 10 -17.066 -4.074 -17.352 83 2HH1 ARG 10 HH12 ARG 10 -16.641 -3.611 -18.966 84 1HH2 ARG 10 HH21 ARG 10 -14.233 -1.306 -17.883 85 2HH2 ARG 10 HH22 ARG 10 -14.994 -2.002 -19.274 86 H ABA 11 HN ABU 11 -16.174 -0.348 -10.509 87 HA ABA 11 HA ABU 11 -17.166 2.213 -11.717 88 1HB ABA 11 HB1 ABU 11 -16.416 3.265 -9.589 89 2HB ABA 11 HB2 ABU 11 -15.852 1.713 -9.004 90 1HG ABA 11 HG1 ABU 11 -18.499 1.256 -9.826 91 2HG ABA 11 HG2 ABU 11 -18.546 2.802 -8.989 92 3HG ABA 11 HG3 ABU 11 -17.927 1.375 -8.165 93 H LYS 12 HN LYS 12 -15.768 2.696 -13.286 94 HA LYS 12 HA LYS 12 -13.031 1.980 -13.357 95 1HB LYS 12 HB1 LYS 12 -12.890 3.522 -15.246 96 2HB LYS 12 HB2 LYS 12 -14.313 4.399 -14.696 97 1HG LYS 12 HG1 LYS 12 -15.708 2.404 -15.060 98 2HG LYS 12 HG2 LYS 12 -14.291 1.485 -15.552 99 1HD LYS 12 HD1 LYS 12 -14.419 3.949 -17.054 100 2HD LYS 12 HD2 LYS 12 -15.951 3.094 -17.193 101 1HE LYS 12 HE1 LYS 12 -14.401 2.336 -18.947 102 2HE LYS 12 HE2 LYS 12 -14.722 1.026 -17.818 103 1HZ LYS 12 HZ1 LYS 12 -12.652 1.301 -16.804 104 2HZ LYS 12 HZ2 LYS 12 -12.391 2.818 -17.522 105 3HZ LYS 12 HZ3 LYS 12 -12.334 1.409 -18.468 106 H LYS 13 HN LYS 13 -14.244 3.804 -11.030 107 HA LYS 13 HA LYS 13 -11.795 5.470 -10.876 108 1HB LYS 13 HB1 LYS 13 -13.219 7.280 -9.860 109 2HB LYS 13 HB2 LYS 13 -14.640 6.282 -10.162 110 1HG LYS 13 HG1 LYS 13 -14.196 6.321 -12.571 111 2HG LYS 13 HG2 LYS 13 -12.708 7.224 -12.309 112 1HD LYS 13 HD1 LYS 13 -13.886 9.161 -11.577 113 2HD LYS 13 HD2 LYS 13 -15.382 8.261 -11.349 114 1HE LYS 13 HE1 LYS 13 -14.282 8.114 -14.087 115 2HE LYS 13 HE2 LYS 13 -14.782 9.728 -13.595 116 1HZ LYS 13 HZ1 LYS 13 -16.804 8.151 -12.723 117 2HZ LYS 13 HZ2 LYS 13 -16.377 7.429 -14.200 118 3HZ LYS 13 HZ3 LYS 13 -16.810 9.070 -14.150 119 HA PRO 14 HA PRO 14 -11.585 3.365 -6.893 120 1HB PRO 14 HB1 PRO 14 -9.354 3.724 -6.433 121 2HB PRO 14 HB2 PRO 14 -9.772 5.302 -5.764 122 1HG PRO 14 HG1 PRO 14 -8.330 4.790 -8.184 123 2HG PRO 14 HG2 PRO 14 -8.880 6.358 -7.594 124 1HD PRO 14 HD1 PRO 14 -10.395 6.427 -9.300 125 2HD PRO 14 HD2 PRO 14 -9.925 4.792 -9.804 126 H SER 15 HN SER 15 -12.027 6.834 -7.213 127 HA SER 15 HA SER 15 -12.777 7.450 -4.563 128 1HB SER 15 HB1 SER 15 -12.530 9.103 -6.512 129 2HB SER 15 HB2 SER 15 -14.027 9.350 -5.593 130 HG SER 15 HG1 SER 15 -15.138 8.163 -7.100 131 H MET 16 HN MET 16 -14.803 6.350 -7.264 132 HA MET 16 HA MET 16 -17.185 6.197 -5.636 133 1HB MET 16 HB1 MET 16 -17.906 4.708 -7.704 134 2HB MET 16 HB2 MET 16 -16.375 5.237 -8.390 135 1HG MET 16 HG1 MET 16 -17.011 7.582 -8.022 136 2HG MET 16 HG2 MET 16 -18.529 7.072 -7.330 137 1HE MET 16 HE1 MET 16 -19.860 5.030 -9.057 138 2HE MET 16 HE2 MET 16 -20.774 6.108 -10.111 139 3HE MET 16 HE3 MET 16 -20.546 6.521 -8.412 140 H LEU 17 HN LEU 17 -14.850 3.736 -6.796 141 HA LEU 17 HA LEU 17 -16.276 1.541 -5.648 142 1HB LEU 17 HB1 LEU 17 -13.250 1.646 -5.879 143 2HB LEU 17 HB2 LEU 17 -14.240 1.556 -7.321 144 HG LEU 17 HG LEU 17 -13.490 -0.704 -6.563 145 1HD1 LEU 17 HD11 LEU 17 -13.585 -0.010 -4.076 146 2HD1 LEU 17 HD12 LEU 17 -14.099 -1.641 -4.480 147 3HD1 LEU 17 HD13 LEU 17 -15.295 -0.400 -4.155 148 1HD2 LEU 17 HD21 LEU 17 -16.446 -0.737 -6.040 149 2HD2 LEU 17 HD22 LEU 17 -15.480 -1.748 -7.102 150 3HD2 LEU 17 HD23 LEU 17 -15.890 -0.110 -7.579 151 H LYS 18 HN LYS 18 -13.404 3.286 -4.510 152 HA LYS 18 HA LYS 18 -12.970 2.173 -2.057 153 1HB LYS 18 HB1 LYS 18 -12.383 4.538 -1.260 154 2HB LYS 18 HB2 LYS 18 -13.041 5.137 -2.775 155 1HG LYS 18 HG1 LYS 18 -10.845 4.868 -3.449 156 2HG LYS 18 HG2 LYS 18 -11.411 3.232 -3.767 157 1HD LYS 18 HD1 LYS 18 -9.538 2.772 -2.472 158 2HD LYS 18 HD2 LYS 18 -10.765 2.864 -1.213 159 1HE LYS 18 HE1 LYS 18 -10.195 5.274 -0.881 160 2HE LYS 18 HE2 LYS 18 -8.926 5.121 -2.088 161 1HZ LYS 18 HZ1 LYS 18 -9.084 3.582 0.443 162 2HZ LYS 18 HZ2 LYS 18 -8.068 4.911 0.157 163 3HZ LYS 18 HZ3 LYS 18 -7.848 3.471 -0.715 164 H LYS 19 HN LYS 19 -15.363 4.765 -2.634 165 HA LYS 19 HA LYS 19 -16.372 4.648 0.045 166 1HB LYS 19 HB1 LYS 19 -17.683 5.647 -2.527 167 2HB LYS 19 HB2 LYS 19 -16.707 6.623 -1.433 168 1HG LYS 19 HG1 LYS 19 -18.571 5.505 0.276 169 2HG LYS 19 HG2 LYS 19 -19.516 5.779 -1.184 170 1HD LYS 19 HD1 LYS 19 -18.698 8.135 -1.239 171 2HD LYS 19 HD2 LYS 19 -17.823 7.848 0.261 172 1HE LYS 19 HE1 LYS 19 -20.526 6.946 0.604 173 2HE LYS 19 HE2 LYS 19 -20.566 8.576 -0.055 174 1HZ LYS 19 HZ1 LYS 19 -20.189 7.929 2.546 175 2HZ LYS 19 HZ2 LYS 19 -19.824 9.428 1.838 176 3HZ LYS 19 HZ3 LYS 19 -18.610 8.253 2.013 177 H HIS 20 HN HIS 20 -17.299 3.080 -2.969 178 HA HIS 20 HA HIS 20 -19.779 1.999 -2.132 179 1HB HIS 20 HB1 HIS 20 -17.662 0.856 -3.998 180 2HB HIS 20 HB2 HIS 20 -19.046 1.817 -4.486 181 HD1 HIS 20 HD1 HIS 20 -20.998 0.373 -5.065 182 HD2 HIS 20 HD2 HIS 20 -18.365 -1.674 -2.734 183 HE1 HIS 20 HE1 HIS 20 -21.887 -1.902 -4.913 184 H ILE 21 HN ILE 21 -16.482 0.669 -1.829 185 HA ILE 21 HA ILE 21 -17.401 -1.741 -0.586 186 HB ILE 21 HB ILE 21 -15.007 -1.059 -1.607 187 1HG1 ILE 21 HG11 ILE 21 -15.775 -3.038 0.514 188 2HG1 ILE 21 HG12 ILE 21 -14.079 -2.906 0.066 189 1HG2 ILE 21 HG21 ILE 21 -14.470 -0.892 1.395 190 2HG2 ILE 21 HG22 ILE 21 -14.723 0.560 0.444 191 3HG2 ILE 21 HG23 ILE 21 -13.377 -0.495 0.075 192 1HD1 ILE 21 HD1 ILE 21 -15.229 -4.611 -1.312 193 2HD1 ILE 21 HD2 ILE 21 -14.675 -3.269 -2.308 194 3HD1 ILE 21 HD3 ILE 21 -16.374 -3.394 -1.865 195 NH1 ARG 22 NH1 ARG 22 -12.233 3.971 2.095 196 NH2 ARG 22 NH2 ARG 22 -11.645 5.481 3.706 197 H ARG 22 HN ARG 22 -16.669 1.439 0.646 198 HA ARG 22 HA ARG 22 -16.498 0.664 3.424 199 1HB ARG 22 HB1 ARG 22 -17.134 3.155 3.761 200 2HB ARG 22 HB2 ARG 22 -17.204 3.274 2.008 201 1HG ARG 22 HG1 ARG 22 -14.855 2.397 1.906 202 2HG ARG 22 HG2 ARG 22 -14.801 2.446 3.664 203 1HD ARG 22 HD1 ARG 22 -15.726 4.972 3.054 204 2HD ARG 22 HD2 ARG 22 -14.613 4.658 1.724 205 HE ARG 22 HE ARG 22 -13.870 4.751 4.602 206 1HH1 ARG 22 HH11 ARG 22 -12.930 3.381 1.688 207 2HH1 ARG 22 HH12 ARG 22 -11.315 4.006 1.700 208 1HH2 ARG 22 HH21 ARG 22 -11.900 6.022 4.507 209 2HH2 ARG 22 HH22 ARG 22 -10.716 5.541 3.338 210 H THR 23 HN THR 23 -19.160 1.129 1.248 211 HA THR 23 HA THR 23 -21.167 1.592 3.276 212 HB THR 23 HB THR 23 -21.732 0.162 0.627 213 HG1 THR 23 HG1 THR 23 -21.416 2.139 -0.339 214 1HG2 THR 23 HG21 THR 23 -23.536 1.009 2.391 215 2HG2 THR 23 HG22 THR 23 -23.753 1.504 0.714 216 3HG2 THR 23 HG23 THR 23 -23.047 2.622 1.879 217 H HIS 24 HN HIS 24 -19.628 -1.328 2.069 218 HA HIS 24 HA HIS 24 -21.654 -3.144 3.092 219 1HB HIS 24 HB1 HIS 24 -19.646 -4.814 2.970 220 2HB HIS 24 HB2 HIS 24 -18.719 -3.468 2.318 221 HD1 HIS 24 HD1 HIS 24 -22.078 -4.973 1.492 222 HD2 HIS 24 HD2 HIS 24 -18.789 -3.488 -0.387 223 HE1 HIS 24 HE1 HIS 24 -22.537 -5.182 -0.931 224 H THR 25 HN THR 25 -20.081 -0.988 4.778 225 HA THR 25 HA THR 25 -19.056 -2.704 6.940 226 HB THR 25 HB THR 25 -18.587 -0.394 7.979 227 HG1 THR 25 HG1 THR 25 -20.127 0.174 5.729 228 1HG2 THR 25 HG21 THR 25 -16.760 -1.083 6.525 229 2HG2 THR 25 HG22 THR 25 -17.220 0.504 5.921 230 3HG2 THR 25 HG23 THR 25 -17.771 -0.947 5.091 231 H ASP 26 HN ASP 26 -20.440 0.114 8.035 232 HA ASP 26 HA ASP 26 -23.064 -1.059 8.644 233 1HB ASP 26 HB1 ASP 26 -22.595 -0.397 11.150 234 2HB ASP 26 HB2 ASP 26 -20.894 -0.453 10.695 235 H VAL 27 HN VAL 27 -21.955 1.107 7.131 236 HA VAL 27 HA VAL 27 -22.799 3.502 8.654 237 HB VAL 27 HB VAL 27 -20.686 3.600 7.384 238 1HG1 VAL 27 HG11 VAL 27 -22.383 3.041 4.934 239 2HG1 VAL 27 HG12 VAL 27 -21.308 1.882 5.693 240 3HG1 VAL 27 HG13 VAL 27 -20.647 3.331 4.952 241 1HG2 VAL 27 HG21 VAL 27 -22.221 5.287 5.548 242 2HG2 VAL 27 HG22 VAL 27 -21.074 5.756 6.797 243 3HG2 VAL 27 HG23 VAL 27 -22.757 5.459 7.215 244 NH1 ARG 28 NH2 ARG 28 -25.702 -2.185 1.854 245 NH2 ARG 28 NH1 ARG 28 -25.191 -3.334 3.761 246 H ARG 28 HN ARG 28 -24.869 1.800 8.103 247 HA ARG 28 HA ARG 28 -26.400 3.184 5.937 248 1HB ARG 28 HB1 ARG 28 -27.855 1.045 6.153 249 2HB ARG 28 HB2 ARG 28 -26.530 0.376 7.093 250 1HG ARG 28 HG1 ARG 28 -25.118 1.272 4.994 251 2HG ARG 28 HG2 ARG 28 -26.659 1.033 4.182 252 1HD ARG 28 HD1 ARG 28 -26.737 -1.298 5.000 253 2HD ARG 28 HD2 ARG 28 -25.194 -1.064 5.821 254 HE ARG 28 HE ARG 28 -24.420 -0.462 3.345 255 1HH1 ARG 28 HH21 ARG 28 -25.795 -1.309 1.381 256 2HH1 ARG 28 HH22 ARG 28 -25.897 -3.037 1.370 257 1HH2 ARG 28 HH11 ARG 28 -24.900 -3.320 4.718 258 2HH2 ARG 28 HH12 ARG 28 -25.377 -4.206 3.308 259 HA PRO 29 HA PRO 29 -28.262 4.426 10.016 260 1HB PRO 29 HB1 PRO 29 -28.088 6.712 9.944 261 2HB PRO 29 HB2 PRO 29 -29.282 6.792 8.648 262 1HG PRO 29 HG1 PRO 29 -26.383 7.077 8.453 263 2HG PRO 29 HG2 PRO 29 -27.590 7.315 7.189 264 1HD PRO 29 HD1 PRO 29 -27.092 5.299 6.262 265 2HD PRO 29 HD2 PRO 29 -25.761 5.137 7.418 266 OH TYR 30 OH TYR 30 -30.974 9.647 4.322 267 H TYR 30 HN TYR 30 -29.634 4.471 6.766 268 HA TYR 30 HA TYR 30 -32.382 4.604 7.672 269 1HB TYR 30 HB1 TYR 30 -32.889 3.909 5.311 270 2HB TYR 30 HB2 TYR 30 -31.184 3.561 5.057 271 HD1 TYR 30 HD1 TYR 30 -33.447 6.329 6.160 272 HD2 TYR 30 HD2 TYR 30 -29.777 5.279 4.283 273 HE1 TYR 30 HE1 TYR 30 -33.055 8.686 5.610 274 HE2 TYR 30 HE2 TYR 30 -29.386 7.637 3.732 275 HH TYR 30 HH TYR 30 -31.638 9.915 3.681 276 H HIS 31 HN HIS 31 -33.122 3.066 8.999 277 HA HIS 31 HA HIS 31 -32.615 0.194 8.270 278 1HB HIS 31 HB1 HIS 31 -33.321 -0.033 10.841 279 2HB HIS 31 HB2 HIS 31 -32.841 1.659 10.912 280 HD1 HIS 31 HD1 HIS 31 -31.422 -1.525 11.190 281 HD2 HIS 31 HD2 HIS 31 -30.073 2.020 9.753 282 HE1 HIS 31 HE1 HIS 31 -29.004 -1.732 11.189 283 H CYS 32 HN CYS 32 -34.384 -1.121 7.979 284 HA CYS 32 HA CYS 32 -36.949 0.060 7.587 285 1HB CYS 32 HB1 CYS 32 -35.989 -2.784 8.002 286 2HB CYS 32 HB2 CYS 32 -36.575 -2.053 6.534 287 H THR 33 HN THR 33 -38.810 0.072 8.858 288 HA THR 33 HA THR 33 -38.306 0.193 11.728 289 HB THR 33 HB THR 33 -40.849 0.501 10.027 290 HG1 THR 33 HG1 THR 33 -40.199 2.515 10.077 291 1HG2 THR 33 HG21 THR 33 -40.347 0.564 13.022 292 2HG2 THR 33 HG22 THR 33 -41.805 0.058 12.175 293 3HG2 THR 33 HG23 THR 33 -41.433 1.771 12.344 294 OH TYR 34 OH TYR 34 -44.845 -0.698 10.219 295 H TYR 34 HN TYR 34 -38.365 -2.394 9.987 296 HA TYR 34 HA TYR 34 -39.720 -3.996 12.083 297 1HB TYR 34 HB1 TYR 34 -40.883 -5.370 10.391 298 2HB TYR 34 HB2 TYR 34 -40.140 -4.456 9.087 299 HD1 TYR 34 HD2 TYR 34 -40.748 -2.004 8.813 300 HD2 TYR 34 HD1 TYR 34 -42.846 -4.554 11.495 301 HE1 TYR 34 HE2 TYR 34 -42.624 -0.428 8.844 302 HE2 TYR 34 HE1 TYR 34 -44.717 -2.969 11.530 303 HH TYR 34 HH TYR 34 -45.297 -0.795 11.061 304 H CYS 35 HN CYS 35 -38.314 -4.737 8.899 305 HA CYS 35 HA CYS 35 -36.941 -7.065 9.725 306 1HB CYS 35 HB1 CYS 35 -35.583 -6.770 7.702 307 2HB CYS 35 HB2 CYS 35 -35.981 -5.082 7.630 308 H ASN 36 HN ASN 36 -34.342 -6.807 8.996 309 HA ASN 36 HA ASN 36 -33.193 -4.971 11.058 310 1HB ASN 36 HB1 ASN 36 -32.204 -7.755 10.244 311 2HB ASN 36 HB2 ASN 36 -33.133 -7.426 11.706 312 1HD2 ASN 36 HD21 ASN 36 -30.075 -8.068 10.879 313 2HD2 ASN 36 HD22 ASN 36 -29.225 -7.078 11.964 314 H PHE 37 HN PHE 37 -33.568 -5.338 7.926 315 HA PHE 37 HA PHE 37 -30.807 -5.098 6.994 316 1HB PHE 37 HB1 PHE 37 -33.256 -4.354 5.372 317 2HB PHE 37 HB2 PHE 37 -32.941 -6.047 5.742 318 HD1 PHE 37 HD2 PHE 37 -30.575 -6.953 5.161 319 HD2 PHE 37 HD1 PHE 37 -32.125 -3.315 3.576 320 HE1 PHE 37 HE2 PHE 37 -28.927 -7.039 3.341 321 HE2 PHE 37 HE1 PHE 37 -30.475 -3.407 1.760 322 HZ PHE 37 HZ PHE 37 -28.877 -5.269 1.641 323 H SER 38 HN SER 38 -29.964 -3.239 5.913 324 HA SER 38 HA SER 38 -31.365 -0.696 6.508 325 1HB SER 38 HB1 SER 38 -28.396 -1.021 7.077 326 2HB SER 38 HB2 SER 38 -29.606 -1.373 8.319 327 HG SER 38 HG1 SER 38 -29.786 0.965 6.775 328 H PHE 39 HN PHE 39 -30.712 1.056 5.234 329 HA PHE 39 HA PHE 39 -29.107 0.296 2.826 330 1HB PHE 39 HB1 PHE 39 -30.696 1.441 1.478 331 2HB PHE 39 HB2 PHE 39 -31.303 2.381 2.840 332 HD1 PHE 39 HD2 PHE 39 -32.539 1.114 4.708 333 HD2 PHE 39 HD1 PHE 39 -31.731 -0.635 0.911 334 HE1 PHE 39 HE2 PHE 39 -34.300 -0.552 5.099 335 HE2 PHE 39 HE1 PHE 39 -33.502 -2.291 1.302 336 HZ PHE 39 HZ PHE 39 -34.792 -2.247 3.394 337 H LYS 40 HN LYS 40 -27.962 2.013 1.811 338 HA LYS 40 HA LYS 40 -26.867 3.906 3.765 339 1HB LYS 40 HB1 LYS 40 -26.243 3.283 0.844 340 2HB LYS 40 HB2 LYS 40 -25.351 2.724 2.239 341 1HG LYS 40 HG1 LYS 40 -25.573 5.607 1.296 342 2HG LYS 40 HG2 LYS 40 -24.147 4.589 1.204 343 1HD LYS 40 HD1 LYS 40 -24.419 4.338 3.771 344 2HD LYS 40 HD2 LYS 40 -25.453 5.754 3.657 345 1HE LYS 40 HE1 LYS 40 -23.391 6.644 2.184 346 2HE LYS 40 HE2 LYS 40 -22.514 5.513 3.205 347 1HZ LYS 40 HZ1 LYS 40 -22.597 6.956 4.851 348 2HZ LYS 40 HZ2 LYS 40 -24.294 6.987 4.796 349 3HZ LYS 40 HZ3 LYS 40 -23.394 8.069 3.847 350 H THR 41 HN THR 41 -29.243 3.911 1.315 351 HA THR 41 HA THR 41 -29.345 6.900 1.448 352 HB THR 41 HB THR 41 -29.913 6.964 -0.921 353 HG1 THR 41 HG1 THR 41 -31.361 5.200 -0.739 354 1HG2 THR 41 HG21 THR 41 -28.075 4.516 -0.778 355 2HG2 THR 41 HG22 THR 41 -27.462 6.113 -0.358 356 3HG2 THR 41 HG23 THR 41 -28.056 5.799 -1.986 357 H LYS 42 HN LYS 42 -31.430 7.824 1.200 358 HA LYS 42 HA LYS 42 -33.459 6.302 2.582 359 1HB LYS 42 HB1 LYS 42 -33.820 8.994 1.211 360 2HB LYS 42 HB2 LYS 42 -32.989 8.847 2.756 361 1HG LYS 42 HG1 LYS 42 -34.986 7.782 3.741 362 2HG LYS 42 HG2 LYS 42 -35.817 7.893 2.193 363 1HD LYS 42 HD1 LYS 42 -36.065 10.201 2.336 364 2HD LYS 42 HD2 LYS 42 -34.646 10.395 3.359 365 1HE LYS 42 HE1 LYS 42 -35.793 9.806 5.297 366 2HE LYS 42 HE2 LYS 42 -36.976 8.837 4.427 367 1HZ LYS 42 HZ1 LYS 42 -37.912 10.904 5.277 368 2HZ LYS 42 HZ2 LYS 42 -37.983 10.835 3.581 369 3HZ LYS 42 HZ3 LYS 42 -36.810 11.797 4.344 370 H GLY 43 HN GLY 43 -32.649 6.913 -0.690 371 1HA GLY 43 HA1 GLY 43 -33.706 6.273 -2.689 372 2HA GLY 43 HA2 GLY 43 -35.223 6.703 -1.904 373 H ASN 44 HN ASN 44 -32.749 4.171 -1.542 374 HA ASN 44 HA ASN 44 -34.307 2.004 -2.360 375 1HB ASN 44 HB1 ASN 44 -32.774 0.715 -0.660 376 2HB ASN 44 HB2 ASN 44 -32.044 2.287 -0.351 377 1HD2 ASN 44 HD21 ASN 44 -30.318 0.503 -1.434 378 2HD2 ASN 44 HD22 ASN 44 -30.063 0.795 -3.086 379 H LEU 45 HN LEU 45 -34.334 3.724 0.675 380 HA LEU 45 HA LEU 45 -35.684 1.798 2.266 381 1HB LEU 45 HB1 LEU 45 -36.269 4.777 2.399 382 2HB LEU 45 HB2 LEU 45 -34.675 4.191 2.835 383 HG LEU 45 HG LEU 45 -36.184 4.413 4.815 384 1HD1 LEU 45 HD11 LEU 45 -37.783 2.103 3.683 385 2HD1 LEU 45 HD12 LEU 45 -38.264 3.776 3.441 386 3HD1 LEU 45 HD13 LEU 45 -38.161 3.116 5.068 387 1HD2 LEU 45 HD21 LEU 45 -35.281 2.562 5.834 388 2HD2 LEU 45 HD22 LEU 45 -34.406 2.434 4.318 389 3HD2 LEU 45 HD23 LEU 45 -35.836 1.457 4.585 390 H THR 46 HN THR 46 -37.083 4.607 0.565 391 HA THR 46 HA THR 46 -39.783 3.957 0.909 392 HB THR 46 HB THR 46 -38.480 5.151 -1.618 393 HG1 THR 46 HG1 THR 46 -38.120 5.982 0.653 394 1HG2 THR 46 HG21 THR 46 -40.727 6.476 -1.505 395 2HG2 THR 46 HG22 THR 46 -41.277 5.255 -0.361 396 3HG2 THR 46 HG23 THR 46 -40.881 4.797 -2.014 397 H LYS 47 HN LYS 47 -37.438 2.656 -1.345 398 HA LYS 47 HA LYS 47 -39.271 1.265 -3.039 399 1HB LYS 47 HB1 LYS 47 -36.603 0.040 -2.350 400 2HB LYS 47 HB2 LYS 47 -36.596 1.632 -3.099 401 1HG LYS 47 HG1 LYS 47 -37.983 0.771 -4.955 402 2HG LYS 47 HG2 LYS 47 -38.006 -0.821 -4.203 403 1HD LYS 47 HD1 LYS 47 -35.489 -0.839 -4.324 404 2HD LYS 47 HD2 LYS 47 -35.569 0.663 -5.239 405 1HE LYS 47 HE1 LYS 47 -37.332 -0.791 -6.667 406 2HE LYS 47 HE2 LYS 47 -36.330 -2.102 -6.060 407 1HZ LYS 47 HZ1 LYS 47 -34.868 -1.615 -7.616 408 2HZ LYS 47 HZ2 LYS 47 -34.612 -0.096 -6.900 409 3HZ LYS 47 HZ3 LYS 47 -35.779 -0.273 -8.122 410 H HIS 48 HN HIS 48 -37.618 0.299 -0.057 411 HA HIS 48 HA HIS 48 -38.702 -2.378 -0.076 412 1HB HIS 48 HB1 HIS 48 -37.568 -0.646 2.186 413 2HB HIS 48 HB2 HIS 48 -36.687 -1.842 1.245 414 HD1 HIS 48 HD1 HIS 48 -38.494 -4.182 1.390 415 HD2 HIS 48 HD2 HIS 48 -37.930 -1.797 4.659 416 HE1 HIS 48 HE1 HIS 48 -39.046 -5.585 3.319 417 H MET 49 HN MET 49 -39.998 0.686 0.718 418 HA MET 49 HA MET 49 -42.072 -0.445 2.492 419 1HB MET 49 HB1 MET 49 -42.897 1.920 2.566 420 2HB MET 49 HB2 MET 49 -41.731 2.365 1.325 421 1HG MET 49 HG1 MET 49 -41.058 2.853 3.726 422 2HG MET 49 HG2 MET 49 -39.904 1.999 2.744 423 1HE MET 49 HE1 MET 49 -41.050 2.436 6.076 424 2HE MET 49 HE2 MET 49 -41.666 0.904 6.699 425 3HE MET 49 HE3 MET 49 -42.578 1.789 5.475 426 H LYS 50 HN LYS 50 -41.744 0.787 -0.792 427 HA LYS 50 HA LYS 50 -44.371 1.063 -1.614 428 1HB LYS 50 HB1 LYS 50 -42.160 -0.441 -3.104 429 2HB LYS 50 HB2 LYS 50 -42.389 1.303 -3.125 430 1HG LYS 50 HG1 LYS 50 -44.725 0.890 -4.025 431 2HG LYS 50 HG2 LYS 50 -44.288 -0.806 -4.197 432 1HD LYS 50 HD1 LYS 50 -42.844 1.528 -5.498 433 2HD LYS 50 HD2 LYS 50 -43.929 0.412 -6.318 434 1HE LYS 50 HE1 LYS 50 -42.321 -1.426 -5.313 435 2HE LYS 50 HE2 LYS 50 -41.180 -0.090 -5.211 436 1HZ LYS 50 HZ1 LYS 50 -42.637 -0.532 -7.718 437 2HZ LYS 50 HZ2 LYS 50 -41.320 -1.536 -7.341 438 3HZ LYS 50 HZ3 LYS 50 -41.099 0.143 -7.465 439 H SER 51 HN SER 51 -42.570 -1.995 -1.430 440 HA SER 51 HA SER 51 -44.725 -3.662 -2.254 441 1HB SER 51 HB1 SER 51 -42.701 -4.571 -0.175 442 2HB SER 51 HB2 SER 51 -42.152 -4.201 -1.822 443 HG SER 51 HG1 SER 51 -43.132 -5.926 -2.501 444 H LYS 52 HN LYS 52 -46.342 -4.670 -1.131 445 HA LYS 52 HA LYS 52 -47.216 -3.382 1.313 446 1HB LYS 52 HB1 LYS 52 -48.787 -4.309 -0.411 447 2HB LYS 52 HB2 LYS 52 -49.094 -5.008 1.176 448 1HG LYS 52 HG1 LYS 52 -48.191 -7.076 0.588 449 2HG LYS 52 HG2 LYS 52 -47.155 -6.385 -0.655 450 1HD LYS 52 HD1 LYS 52 -49.059 -7.659 -1.633 451 2HD LYS 52 HD2 LYS 52 -49.104 -5.959 -2.084 452 1HE LYS 52 HE1 LYS 52 -50.817 -5.480 -0.481 453 2HE LYS 52 HE2 LYS 52 -50.601 -7.032 0.319 454 1HZ LYS 52 HZ1 LYS 52 -52.526 -6.641 -1.377 455 2HZ LYS 52 HZ2 LYS 52 -51.723 -8.135 -1.298 456 3HZ LYS 52 HZ3 LYS 52 -51.324 -7.020 -2.516 457 H ALA 53 HN ALA 53 -44.638 -4.699 1.516 458 HA ALA 53 HA ALA 53 -44.745 -7.201 2.826 459 1HB ALA 53 HB1 ALA 53 -42.585 -6.368 3.941 460 2HB ALA 53 HB2 ALA 53 -42.878 -4.807 3.181 461 3HB ALA 53 HB3 ALA 53 -42.595 -6.232 2.185 462 H HIS 54 HN HIS 54 -43.789 -4.432 4.764 463 HA HIS 54 HA HIS 54 -46.104 -4.839 6.547 464 1HB HIS 54 HB1 HIS 54 -44.692 -6.403 7.599 465 2HB HIS 54 HB2 HIS 54 -44.282 -4.938 8.480 466 HD1 HIS 54 HD1 HIS 54 -42.714 -7.521 6.652 467 HD2 HIS 54 HD2 HIS 54 -41.878 -3.557 7.199 468 HE1 HIS 54 HE1 HIS 54 -40.331 -7.277 6.143 469 H SER 55 HN SER 55 -46.299 -2.639 5.521 470 HA SER 55 HA SER 55 -44.701 -0.622 7.054 471 1HB SER 55 HB1 SER 55 -46.240 -0.328 4.415 472 2HB SER 55 HB2 SER 55 -44.476 -0.407 4.576 473 HG SER 55 HG1 SER 55 -46.096 1.695 4.936 474 H LYS 56 HN LYS 56 -47.774 -0.269 5.351 475 HA LYS 56 HA LYS 56 -49.139 0.171 7.953 476 1HB LYS 56 HB1 LYS 56 -50.100 2.302 7.108 477 2HB LYS 56 HB2 LYS 56 -49.224 2.118 5.595 478 1HG LYS 56 HG1 LYS 56 -47.078 2.256 6.780 479 2HG LYS 56 HG2 LYS 56 -47.910 2.340 8.326 480 1HD LYS 56 HD1 LYS 56 -47.661 4.602 7.992 481 2HD LYS 56 HD2 LYS 56 -49.132 4.401 7.052 482 1HE LYS 56 HE1 LYS 56 -46.303 4.303 5.950 483 2HE LYS 56 HE2 LYS 56 -47.432 5.637 5.756 484 1HZ LYS 56 HZ1 LYS 56 -47.798 4.531 3.834 485 2HZ LYS 56 HZ2 LYS 56 -48.930 3.723 4.809 486 3HZ LYS 56 HZ3 LYS 56 -47.424 3.009 4.487 487 H LYS 57 HN LYS 57 -50.875 1.461 5.430 488 HA LYS 57 HA LYS 57 -52.804 -0.661 5.519 489 1HB LYS 57 HB1 LYS 57 -53.607 0.811 3.384 490 2HB LYS 57 HB2 LYS 57 -52.491 1.965 4.105 491 1HG LYS 57 HG1 LYS 57 -53.672 1.676 6.296 492 2HG LYS 57 HG2 LYS 57 -54.834 0.624 5.495 493 1HD LYS 57 HD1 LYS 57 -55.357 2.504 3.909 494 2HD LYS 57 HD2 LYS 57 -54.302 3.544 4.859 495 1HE LYS 57 HE1 LYS 57 -56.686 2.047 5.992 496 2HE LYS 57 HE2 LYS 57 -56.725 3.736 5.502 497 1HZ LYS 57 HZ1 LYS 57 -56.114 2.886 7.961 498 2HZ LYS 57 HZ2 LYS 57 -55.616 4.375 7.313 499 3HZ LYS 57 LYS 57 -54.563 3.042 7.287 Start of MODEL 23 Raw file had 499 H/Q atoms Start of MODEL 23 1 1H LYS 1 HT1 LYS 1 -9.475 -2.375 -12.189 2 2H LYS 1 HT2 LYS 1 -10.823 -3.377 -11.943 3 3H LYS 1 HT3 LYS 1 -9.352 -4.044 -12.469 4 HA LYS 1 HA LYS 1 -9.210 -4.584 -10.300 5 1HB LYS 1 HB1 LYS 1 -7.239 -3.259 -10.524 6 2HB LYS 1 HB2 LYS 1 -8.005 -2.574 -9.095 7 1HG LYS 1 HG1 LYS 1 -7.684 -0.610 -10.251 8 2HG LYS 1 HG2 LYS 1 -9.215 -1.070 -10.986 9 1HD LYS 1 HD1 LYS 1 -7.711 -2.397 -12.676 10 2HD LYS 1 HD2 LYS 1 -6.425 -1.346 -12.098 11 1HE LYS 1 HE1 LYS 1 -7.981 0.618 -12.580 12 2HE LYS 1 HE2 LYS 1 -9.027 -0.525 -13.413 13 1HZ LYS 1 HZ1 LYS 1 -6.522 -1.016 -14.396 14 2HZ LYS 1 HZ2 LYS 1 -6.604 0.676 -14.291 15 3HZ LYS 1 HZ3 LYS 1 -7.772 -0.176 -15.182 16 OH TYR 2 OH TYR 2 -7.928 3.018 -8.564 17 H TYR 2 HN TYR 2 -11.083 -1.694 -10.841 18 HA TYR 2 HA TYR 2 -12.024 -1.654 -8.044 19 1HB TYR 2 HB1 TYR 2 -13.396 0.271 -8.840 20 2HB TYR 2 HB2 TYR 2 -12.881 -0.040 -10.494 21 HD1 TYR 2 HD2 TYR 2 -11.597 0.810 -7.103 22 HD2 TYR 2 HD1 TYR 2 -10.803 0.817 -11.282 23 HE1 TYR 2 HE2 TYR 2 -9.589 2.162 -6.720 24 HE2 TYR 2 HE1 TYR 2 -8.792 2.166 -10.896 25 HH TYR 2 HH TYR 2 -8.066 3.528 -7.763 26 H ILE 3 HN ILE 3 -12.819 -3.920 -8.345 27 HA ILE 3 HA ILE 3 -15.651 -3.829 -9.292 28 HB ILE 3 HB ILE 3 -13.785 -6.237 -9.528 29 1HG1 ILE 3 HG11 ILE 3 -12.980 -4.415 -10.981 30 2HG1 ILE 3 HG12 ILE 3 -14.595 -4.218 -11.653 31 1HG2 ILE 3 HG21 ILE 3 -16.427 -5.585 -10.928 32 2HG2 ILE 3 HG22 ILE 3 -16.336 -6.533 -9.448 33 3HG2 ILE 3 HG23 ILE 3 -15.589 -7.134 -10.922 34 1HD1 ILE 3 HD1 ILE 3 -12.831 -5.722 -12.915 35 2HD1 ILE 3 HD2 ILE 3 -14.506 -6.254 -12.806 36 3HD1 ILE 3 HD3 ILE 3 -13.295 -6.930 -11.721 37 H CYS 4 HN CYS 4 -16.782 -3.910 -7.433 38 HA CYS 4 HA CYS 4 -15.895 -4.908 -4.975 39 1HB CYS 4 HB1 CYS 4 -18.633 -4.693 -6.208 40 2HB CYS 4 HB2 CYS 4 -17.929 -3.698 -4.965 41 H GLU 5 HN GLU 5 -15.555 -6.844 -4.150 42 HA GLU 5 HA GLU 5 -15.671 -9.181 -5.790 43 1HB GLU 5 HB1 GLU 5 -14.820 -10.338 -3.821 44 2HB GLU 5 HB2 GLU 5 -15.430 -9.078 -2.754 45 1HG GLU 5 HG1 GLU 5 -13.791 -7.523 -3.451 46 2HG GLU 5 HG2 GLU 5 -13.440 -8.420 -4.927 47 H GLU 6 HN GLU 6 -18.028 -7.659 -3.850 48 HA GLU 6 HA GLU 6 -19.557 -10.158 -3.548 49 1HB GLU 6 HB1 GLU 6 -20.269 -7.383 -2.529 50 2HB GLU 6 HB2 GLU 6 -19.264 -8.506 -1.621 51 1HG GLU 6 HG1 GLU 6 -21.091 -10.176 -1.658 52 2HG GLU 6 HG2 GLU 6 -22.097 -9.056 -2.573 53 H CYS 7 HN CYS 7 -20.636 -6.843 -4.214 54 HA CYS 7 HA CYS 7 -22.825 -7.820 -5.833 55 1HB CYS 7 HB1 CYS 7 -23.480 -5.589 -5.994 56 2HB CYS 7 HB2 CYS 7 -21.847 -4.998 -6.048 57 H GLY 8 HN GLY 8 -19.592 -6.652 -6.554 58 1HA GLY 8 HA1 GLY 8 -19.996 -7.519 -9.345 59 2HA GLY 8 HA2 GLY 8 -18.458 -7.067 -8.625 60 H ILE 9 HN ILE 9 -20.151 -4.654 -7.545 61 HA ILE 9 HA ILE 9 -21.009 -3.030 -9.626 62 HB ILE 9 HB ILE 9 -20.893 -2.601 -7.030 63 1HG1 ILE 9 HG11 ILE 9 -20.737 -0.645 -9.285 64 2HG1 ILE 9 HG12 ILE 9 -20.634 -0.009 -7.648 65 1HG2 ILE 9 HG21 ILE 9 -18.272 -2.623 -7.188 66 2HG2 ILE 9 HG22 ILE 9 -18.998 -1.329 -6.254 67 3HG2 ILE 9 HG23 ILE 9 -18.425 -1.015 -7.886 68 1HD1 ILE 9 HD1 ILE 9 -22.782 -1.998 -8.378 69 2HD1 ILE 9 HD2 ILE 9 -23.000 -0.286 -8.721 70 3HD1 ILE 9 HD3 ILE 9 -22.769 -0.829 -7.062 71 NH1 ARG 10 NH1 ARG 10 -17.601 -1.812 -17.149 72 NH2 ARG 10 NH2 ARG 10 -19.377 -3.239 -17.342 73 H ARG 10 HN ARG 10 -20.098 -1.880 -11.216 74 HA ARG 10 HA ARG 10 -17.149 -2.141 -11.543 75 1HB ARG 10 HB1 ARG 10 -19.257 -1.234 -13.559 76 2HB ARG 10 HB2 ARG 10 -18.740 -2.905 -13.378 77 1HG ARG 10 HG1 ARG 10 -16.415 -1.205 -13.574 78 2HG ARG 10 HG2 ARG 10 -17.495 -0.870 -14.924 79 1HD ARG 10 HD1 ARG 10 -16.497 -3.618 -14.094 80 2HD ARG 10 HD2 ARG 10 -15.954 -2.707 -15.502 81 HE ARG 10 HE ARG 10 -18.388 -4.255 -15.343 82 1HH1 ARG 10 HH11 ARG 10 -16.788 -1.522 -16.646 83 2HH1 ARG 10 HH12 ARG 10 -17.877 -1.327 -17.979 84 1HH2 ARG 10 HH21 ARG 10 -19.892 -4.018 -16.985 85 2HH2 ARG 10 HH22 ARG 10 -19.681 -2.777 -18.175 86 H ABA 11 HN ABU 11 -16.305 -0.469 -10.400 87 HA ABA 11 HA ABU 11 -17.125 2.280 -11.272 88 1HB ABA 11 HB1 ABU 11 -16.263 2.892 -8.884 89 2HB ABA 11 HB2 ABU 11 -16.384 1.177 -8.540 90 1HG ABA 11 HG1 ABU 11 -18.764 1.196 -9.188 91 2HG ABA 11 HG2 ABU 11 -18.654 2.911 -9.567 92 3HG ABA 11 HG3 ABU 11 -18.470 2.364 -7.903 93 H LYS 12 HN LYS 12 -15.452 1.865 -12.891 94 HA LYS 12 HA LYS 12 -12.789 1.329 -12.599 95 1HB LYS 12 HB1 LYS 12 -12.514 3.354 -14.310 96 2HB LYS 12 HB2 LYS 12 -14.270 3.386 -14.246 97 1HG LYS 12 HG1 LYS 12 -13.985 1.862 -15.970 98 2HG LYS 12 HG2 LYS 12 -13.979 0.755 -14.603 99 1HD LYS 12 HD1 LYS 12 -11.516 0.811 -14.544 100 2HD LYS 12 HD2 LYS 12 -11.497 1.963 -15.874 101 1HE LYS 12 HE1 LYS 12 -11.155 -0.535 -16.461 102 2HE LYS 12 HE2 LYS 12 -12.317 0.370 -17.424 103 1HZ LYS 12 HZ1 LYS 12 -12.861 -1.952 -16.273 104 2HZ LYS 12 HZ2 LYS 12 -14.040 -0.770 -16.586 105 3HZ LYS 12 HZ3 LYS 12 -13.361 -0.903 -15.035 106 H LYS 13 HN LYS 13 -14.417 4.131 -11.292 107 HA LYS 13 HA LYS 13 -11.833 5.424 -10.716 108 1HB LYS 13 HB1 LYS 13 -13.145 7.348 -10.059 109 2HB LYS 13 HB2 LYS 13 -14.592 6.368 -9.856 110 1HG LYS 13 HG1 LYS 13 -13.435 6.156 -12.549 111 2HG LYS 13 HG2 LYS 13 -13.930 7.792 -12.140 112 1HD LYS 13 HD1 LYS 13 -16.168 7.015 -11.541 113 2HD LYS 13 HD2 LYS 13 -15.687 5.342 -11.794 114 1HE LYS 13 HE1 LYS 13 -15.028 6.891 -14.137 115 2HE LYS 13 HE2 LYS 13 -16.718 7.149 -13.724 116 1HZ LYS 13 HZ1 LYS 13 -17.251 5.023 -14.155 117 2HZ LYS 13 HZ2 LYS 13 -15.765 4.406 -13.608 118 3HZ LYS 13 HZ3 LYS 13 -15.879 5.098 -15.155 119 HA PRO 14 HA PRO 14 -11.570 3.802 -6.574 120 1HB PRO 14 HB1 PRO 14 -9.552 4.768 -5.995 121 2HB PRO 14 HB2 PRO 14 -10.446 6.158 -5.376 122 1HG PRO 14 HG1 PRO 14 -8.724 6.151 -7.632 123 2HG PRO 14 HG2 PRO 14 -9.831 7.445 -7.172 124 1HD PRO 14 HD1 PRO 14 -11.026 6.986 -9.073 125 2HD PRO 14 HD2 PRO 14 -10.054 5.532 -9.368 126 H SER 15 HN SER 15 -12.134 7.314 -6.292 127 HA SER 15 HA SER 15 -13.581 7.488 -3.990 128 1HB SER 15 HB1 SER 15 -13.243 9.491 -5.351 129 2HB SER 15 HB2 SER 15 -15.002 9.286 -5.244 130 HG SER 15 HG1 SER 15 -14.516 7.790 -7.170 131 H MET 16 HN MET 16 -14.982 6.520 -7.107 132 HA MET 16 HA MET 16 -17.631 6.135 -6.073 133 1HB MET 16 HB1 MET 16 -17.734 4.571 -8.197 134 2HB MET 16 HB2 MET 16 -16.114 5.177 -8.517 135 1HG MET 16 HG1 MET 16 -17.580 6.628 -9.679 136 2HG MET 16 HG2 MET 16 -17.033 7.504 -8.274 137 1HE MET 16 HE1 MET 16 -19.943 4.911 -9.054 138 2HE MET 16 HE2 MET 16 -19.782 6.111 -10.335 139 3HE MET 16 HE3 MET 16 -21.227 6.089 -9.325 140 H LEU 17 HN LEU 17 -14.984 3.822 -6.701 141 HA LEU 17 HA LEU 17 -16.490 1.607 -5.613 142 1HB LEU 17 HB1 LEU 17 -13.459 1.745 -5.851 143 2HB LEU 17 HB2 LEU 17 -14.458 1.592 -7.278 144 HG LEU 17 HG LEU 17 -13.514 -0.602 -6.298 145 1HD1 LEU 17 HD11 LEU 17 -14.039 0.005 -3.918 146 2HD1 LEU 17 HD12 LEU 17 -14.603 -1.584 -4.408 147 3HD1 LEU 17 HD13 LEU 17 -15.741 -0.252 -4.293 148 1HD2 LEU 17 HD21 LEU 17 -15.692 -1.857 -6.583 149 2HD2 LEU 17 HD22 LEU 17 -15.288 -0.783 -7.914 150 3HD2 LEU 17 HD23 LEU 17 -16.501 -0.312 -6.738 151 H LYS 18 HN LYS 18 -13.561 3.247 -4.438 152 HA LYS 18 HA LYS 18 -13.189 2.208 -1.970 153 1HB LYS 18 HB1 LYS 18 -12.629 4.559 -1.165 154 2HB LYS 18 HB2 LYS 18 -13.342 5.184 -2.648 155 1HG LYS 18 HG1 LYS 18 -11.395 4.810 -3.723 156 2HG LYS 18 HG2 LYS 18 -11.552 3.093 -3.391 157 1HD LYS 18 HD1 LYS 18 -9.437 3.888 -2.457 158 2HD LYS 18 HD2 LYS 18 -10.525 3.475 -1.137 159 1HE LYS 18 HE1 LYS 18 -10.443 5.592 -0.354 160 2HE LYS 18 HE2 LYS 18 -10.964 6.223 -1.911 161 1HZ LYS 18 HZ1 LYS 18 -8.881 7.161 -1.521 162 2HZ LYS 18 HZ2 LYS 18 -8.579 5.908 -2.627 163 3HZ LYS 18 HZ3 LYS 18 -8.209 5.697 -0.983 164 H LYS 19 HN LYS 19 -15.743 4.601 -2.662 165 HA LYS 19 HA LYS 19 -16.744 4.527 0.033 166 1HB LYS 19 HB1 LYS 19 -18.859 5.288 -1.700 167 2HB LYS 19 HB2 LYS 19 -17.396 5.860 -2.484 168 1HG LYS 19 HG1 LYS 19 -16.712 7.005 -0.399 169 2HG LYS 19 HG2 LYS 19 -18.149 6.395 0.409 170 1HD LYS 19 HD1 LYS 19 -18.806 8.565 -0.248 171 2HD LYS 19 HD2 LYS 19 -19.474 7.547 -1.516 172 1HE LYS 19 HE1 LYS 19 -18.355 8.839 -2.999 173 2HE LYS 19 HE2 LYS 19 -16.869 8.124 -2.397 174 1HZ LYS 19 HZ1 LYS 19 -17.540 10.051 -0.563 175 2HZ LYS 19 HZ2 LYS 19 -17.850 10.763 -2.074 176 3HZ LYS 19 HZ3 LYS 19 -16.309 10.138 -1.729 177 H HIS 20 HN HIS 20 -17.630 2.925 -2.984 178 HA HIS 20 HA HIS 20 -19.991 1.645 -2.080 179 1HB HIS 20 HB1 HIS 20 -17.876 0.679 -4.053 180 2HB HIS 20 HB2 HIS 20 -19.304 1.623 -4.468 181 HD1 HIS 20 HD1 HIS 20 -21.303 0.186 -4.937 182 HD2 HIS 20 HD2 HIS 20 -18.451 -1.928 -2.943 183 HE1 HIS 20 HE1 HIS 20 -22.187 -2.091 -4.774 184 H ILE 21 HN ILE 21 -16.627 0.452 -2.091 185 HA ILE 21 HA ILE 21 -17.264 -2.038 -0.878 186 HB ILE 21 HB ILE 21 -14.976 -1.044 -1.919 187 1HG1 ILE 21 HG11 ILE 21 -15.222 -3.123 0.285 188 2HG1 ILE 21 HG12 ILE 21 -13.761 -2.897 -0.668 189 1HG2 ILE 21 HG21 ILE 21 -14.805 0.491 0.186 190 2HG2 ILE 21 HG22 ILE 21 -13.369 -0.412 -0.237 191 3HG2 ILE 21 HG23 ILE 21 -14.399 -0.960 1.080 192 1HD1 ILE 21 HD1 ILE 21 -15.953 -3.044 -2.504 193 2HD1 ILE 21 HD2 ILE 21 -16.125 -4.376 -1.366 194 3HD1 ILE 21 HD3 ILE 21 -14.640 -4.194 -2.293 195 NH1 ARG 22 NH1 ARG 22 -13.327 2.883 6.188 196 NH2 ARG 22 NH2 ARG 22 -12.945 4.978 5.360 197 H ARG 22 HN ARG 22 -16.772 1.153 0.480 198 HA ARG 22 HA ARG 22 -16.629 0.180 3.233 199 1HB ARG 22 HB1 ARG 22 -17.175 2.711 3.669 200 2HB ARG 22 HB2 ARG 22 -17.059 2.905 1.925 201 1HG ARG 22 HG1 ARG 22 -14.767 2.133 1.919 202 2HG ARG 22 HG2 ARG 22 -14.865 1.647 3.605 203 1HD ARG 22 HD1 ARG 22 -15.466 4.503 2.901 204 2HD ARG 22 HD2 ARG 22 -13.783 3.981 2.955 205 HE ARG 22 HE ARG 22 -15.660 3.860 5.278 206 1HH1 ARG 22 HH11 ARG 22 -13.916 2.077 6.240 207 2HH1 ARG 22 HH12 ARG 22 -12.467 2.908 6.700 208 1HH2 ARG 22 HH21 ARG 22 -13.246 5.742 4.790 209 2HH2 ARG 22 HH22 ARG 22 -12.078 5.038 5.858 210 H THR 23 HN THR 23 -19.153 0.653 0.985 211 HA THR 23 HA THR 23 -21.200 1.275 2.944 212 HB THR 23 HB THR 23 -21.602 -0.038 0.182 213 HG1 THR 23 HG1 THR 23 -21.517 2.097 -0.540 214 1HG2 THR 23 HG21 THR 23 -23.331 1.436 2.183 215 2HG2 THR 23 HG22 THR 23 -23.820 0.296 0.938 216 3HG2 THR 23 HG23 THR 23 -23.491 1.968 0.513 217 H HIS 24 HN HIS 24 -19.516 -1.569 2.119 218 HA HIS 24 HA HIS 24 -21.693 -3.402 2.879 219 1HB HIS 24 HB1 HIS 24 -19.635 -5.062 2.867 220 2HB HIS 24 HB2 HIS 24 -18.747 -3.710 2.176 221 HD1 HIS 24 HD1 HIS 24 -21.804 -5.734 1.378 222 HD2 HIS 24 HD2 HIS 24 -19.093 -3.354 -0.521 223 HE1 HIS 24 HE1 HIS 24 -22.284 -5.968 -1.039 224 H THR 25 HN THR 25 -20.062 -1.294 4.654 225 HA THR 25 HA THR 25 -19.364 -3.143 6.864 226 HB THR 25 HB THR 25 -18.531 -0.910 7.885 227 HG1 THR 25 HG1 THR 25 -18.500 0.658 6.010 228 1HG2 THR 25 HG21 THR 25 -17.607 -2.089 5.287 229 2HG2 THR 25 HG22 THR 25 -16.656 -1.733 6.726 230 3HG2 THR 25 HG23 THR 25 -17.060 -0.444 5.596 231 H ASP 26 HN ASP 26 -20.307 -0.025 7.721 232 HA ASP 26 HA ASP 26 -23.101 -0.643 8.267 233 1HB ASP 26 HB1 ASP 26 -22.824 -0.398 10.763 234 2HB ASP 26 HB2 ASP 26 -21.076 -0.337 10.546 235 H VAL 27 HN VAL 27 -21.439 1.266 6.905 236 HA VAL 27 HA VAL 27 -21.844 3.744 8.480 237 HB VAL 27 HB VAL 27 -19.676 3.418 7.347 238 1HG1 VAL 27 HG11 VAL 27 -21.293 3.280 4.787 239 2HG1 VAL 27 HG12 VAL 27 -20.506 1.914 5.561 240 3HG1 VAL 27 HG13 VAL 27 -19.538 3.225 4.904 241 1HG2 VAL 27 HG21 VAL 27 -20.712 5.435 5.487 242 2HG2 VAL 27 HG22 VAL 27 -19.540 5.615 6.787 243 3HG2 VAL 27 HG23 VAL 27 -21.263 5.688 7.140 244 NH1 ARG 28 NH1 ARG 28 -26.685 -1.847 5.763 245 NH2 ARG 28 NH2 ARG 28 -24.564 -2.462 6.346 246 H ARG 28 HN ARG 28 -24.194 2.556 7.727 247 HA ARG 28 HA ARG 28 -25.217 4.297 5.526 248 1HB ARG 28 HB1 ARG 28 -27.101 2.530 5.523 249 2HB ARG 28 HB2 ARG 28 -26.069 1.581 6.585 250 1HG ARG 28 HG1 ARG 28 -24.245 2.019 4.740 251 2HG ARG 28 HG2 ARG 28 -25.631 2.342 3.709 252 1HD ARG 28 HD1 ARG 28 -25.022 -0.033 3.553 253 2HD ARG 28 HD2 ARG 28 -26.587 0.126 4.347 254 HE ARG 28 HE ARG 28 -24.327 0.061 6.205 255 1HH1 ARG 28 HH11 ARG 28 -27.312 -1.140 5.432 256 2HH1 ARG 28 HH12 ARG 28 -27.030 -2.760 5.975 257 1HH2 ARG 28 HH21 ARG 28 -23.600 -2.217 6.451 258 2HH2 ARG 28 HH22 ARG 28 -24.873 -3.387 6.568 259 HA PRO 29 HA PRO 29 -27.083 5.838 9.497 260 1HB PRO 29 HB1 PRO 29 -26.347 8.009 9.543 261 2HB PRO 29 HB2 PRO 29 -27.411 8.417 8.197 262 1HG PRO 29 HG1 PRO 29 -24.523 8.050 8.154 263 2HG PRO 29 HG2 PRO 29 -25.573 8.560 6.831 264 1HD PRO 29 HD1 PRO 29 -25.440 6.504 5.875 265 2HD PRO 29 HD2 PRO 29 -24.278 6.028 7.122 266 OH TYR 30 OH TYR 30 -28.147 11.439 3.852 267 H TYR 30 HN TYR 30 -28.163 5.801 6.212 268 HA TYR 30 HA TYR 30 -30.863 6.759 6.913 269 1HB TYR 30 HB1 TYR 30 -31.341 6.247 4.491 270 2HB TYR 30 HB2 TYR 30 -29.741 5.536 4.341 271 HD1 TYR 30 HD1 TYR 30 -31.346 8.712 5.529 272 HD2 TYR 30 HD2 TYR 30 -28.008 6.927 3.591 273 HE1 TYR 30 HE1 TYR 30 -30.408 10.933 5.085 274 HE2 TYR 30 HE2 TYR 30 -27.069 9.143 3.159 275 HH TYR 30 HH TYR 30 -28.877 12.046 3.709 276 H HIS 31 HN HIS 31 -31.582 5.232 8.429 277 HA HIS 31 HA HIS 31 -31.860 2.415 7.468 278 1HB HIS 31 HB1 HIS 31 -32.527 2.041 9.932 279 2HB HIS 31 HB2 HIS 31 -32.093 3.724 10.216 280 HD1 HIS 31 HD1 HIS 31 -30.595 0.492 9.889 281 HD2 HIS 31 HD2 HIS 31 -29.288 4.323 9.655 282 HE1 HIS 31 HE1 HIS 31 -28.180 0.339 10.080 283 H CYS 32 HN CYS 32 -33.854 1.452 7.215 284 HA CYS 32 HA CYS 32 -36.115 3.165 6.766 285 1HB CYS 32 HB1 CYS 32 -35.743 0.159 7.018 286 2HB CYS 32 HB2 CYS 32 -36.061 1.084 5.573 287 H THR 33 HN THR 33 -38.076 3.301 7.950 288 HA THR 33 HA THR 33 -37.638 3.188 10.846 289 HB THR 33 HB THR 33 -40.198 3.950 9.310 290 HG1 THR 33 HG1 THR 33 -38.285 5.084 8.689 291 1HG2 THR 33 HG21 THR 33 -40.631 3.860 11.732 292 2HG2 THR 33 HG22 THR 33 -40.303 5.551 11.374 293 3HG2 THR 33 HG23 THR 33 -39.052 4.547 12.096 294 OH TYR 34 OH TYR 34 -44.289 3.484 8.998 295 H TYR 34 HN TYR 34 -38.116 0.783 8.920 296 HA TYR 34 HA TYR 34 -39.886 -0.648 10.837 297 1HB TYR 34 HB1 TYR 34 -41.079 -1.734 8.940 298 2HB TYR 34 HB2 TYR 34 -40.106 -0.825 7.789 299 HD1 TYR 34 HD2 TYR 34 -40.332 1.693 7.718 300 HD2 TYR 34 HD1 TYR 34 -42.986 -0.736 9.988 301 HE1 TYR 34 HE2 TYR 34 -41.948 3.537 7.805 302 HE2 TYR 34 HE1 TYR 34 -44.600 1.108 10.073 303 HH TYR 34 HH TYR 34 -45.171 3.108 8.966 304 H CYS 35 HN CYS 35 -38.121 -1.246 7.816 305 HA CYS 35 HA CYS 35 -37.289 -3.891 8.643 306 1HB CYS 35 HB1 CYS 35 -35.985 -3.866 6.590 307 2HB CYS 35 HB2 CYS 35 -36.036 -2.128 6.513 308 H ASN 36 HN ASN 36 -34.828 -4.345 8.266 309 HA ASN 36 HA ASN 36 -33.360 -2.570 10.169 310 1HB ASN 36 HB1 ASN 36 -32.840 -5.482 9.363 311 2HB ASN 36 HB2 ASN 36 -33.650 -4.984 10.846 312 1HD2 ASN 36 HD21 ASN 36 -30.598 -5.669 9.474 313 2HD2 ASN 36 HD22 ASN 36 -29.629 -5.023 10.710 314 H PHE 37 HN PHE 37 -33.763 -2.814 7.039 315 HA PHE 37 HA PHE 37 -30.963 -2.996 6.170 316 1HB PHE 37 HB1 PHE 37 -33.179 -1.952 4.407 317 2HB PHE 37 HB2 PHE 37 -33.248 -3.643 4.901 318 HD1 PHE 37 HD2 PHE 37 -31.168 -5.098 4.475 319 HD2 PHE 37 HD1 PHE 37 -31.701 -1.270 2.689 320 HE1 PHE 37 HE2 PHE 37 -29.490 -5.658 2.771 321 HE2 PHE 37 HE1 PHE 37 -30.024 -1.835 0.984 322 HZ PHE 37 HZ PHE 37 -28.917 -4.027 1.025 323 H SER 38 HN SER 38 -29.883 -1.266 5.090 324 HA SER 38 HA SER 38 -31.018 1.428 5.531 325 1HB SER 38 HB1 SER 38 -28.206 0.695 6.465 326 2HB SER 38 HB2 SER 38 -29.598 0.713 7.555 327 HG SER 38 HG1 SER 38 -29.039 2.865 5.818 328 H PHE 39 HN PHE 39 -29.587 3.119 4.544 329 HA PHE 39 HA PHE 39 -28.069 2.032 2.215 330 1HB PHE 39 HB1 PHE 39 -29.255 3.522 0.744 331 2HB PHE 39 HB2 PHE 39 -29.918 4.441 2.093 332 HD1 PHE 39 HD2 PHE 39 -31.634 3.365 3.588 333 HD2 PHE 39 HD1 PHE 39 -30.330 1.495 -0.010 334 HE1 PHE 39 HE2 PHE 39 -33.561 1.848 3.677 335 HE2 PHE 39 HE1 PHE 39 -32.271 -0.009 0.077 336 HZ PHE 39 HZ PHE 39 -33.884 0.164 1.922 337 H LYS 40 HN LYS 40 -26.521 3.469 1.328 338 HA LYS 40 HA LYS 40 -25.286 5.183 3.363 339 1HB LYS 40 HB1 LYS 40 -24.521 4.352 0.521 340 2HB LYS 40 HB2 LYS 40 -23.863 3.710 2.011 341 1HG LYS 40 HG1 LYS 40 -23.484 6.538 0.965 342 2HG LYS 40 HG2 LYS 40 -22.263 5.280 1.045 343 1HD LYS 40 HD1 LYS 40 -22.817 5.206 3.583 344 2HD LYS 40 HD2 LYS 40 -23.546 6.780 3.322 345 1HE LYS 40 HE1 LYS 40 -21.266 7.191 3.948 346 2HE LYS 40 HE2 LYS 40 -21.364 7.481 2.217 347 1HZ LYS 40 HZ1 LYS 40 -19.960 5.415 3.667 348 2HZ LYS 40 HZ2 LYS 40 -19.622 6.109 2.154 349 3HZ LYS 40 HZ3 LYS 40 -20.783 4.876 2.282 350 H THR 41 HN THR 41 -27.480 5.567 0.816 351 HA THR 41 HA THR 41 -27.005 8.519 0.863 352 HB THR 41 HB THR 41 -27.293 8.629 -1.533 353 HG1 THR 41 HG1 THR 41 -29.021 7.431 -1.931 354 1HG2 THR 41 HG21 THR 41 -25.720 7.001 -2.436 355 2HG2 THR 41 HG22 THR 41 -26.178 5.789 -1.243 356 3HG2 THR 41 HG23 THR 41 -25.203 7.174 -0.762 357 H LYS 42 HN LYS 42 -28.828 9.820 0.435 358 HA LYS 42 HA LYS 42 -31.227 8.789 1.662 359 1HB LYS 42 HB1 LYS 42 -30.594 11.450 0.305 360 2HB LYS 42 HB2 LYS 42 -30.522 11.129 2.033 361 1HG LYS 42 HG1 LYS 42 -33.007 10.481 1.851 362 2HG LYS 42 HG2 LYS 42 -32.969 11.229 0.259 363 1HD LYS 42 HD1 LYS 42 -32.236 12.587 2.876 364 2HD LYS 42 HD2 LYS 42 -33.709 12.860 1.955 365 1HE LYS 42 HE1 LYS 42 -31.963 13.339 -0.009 366 2HE LYS 42 HE2 LYS 42 -30.904 13.713 1.345 367 1HZ LYS 42 HZ1 LYS 42 -32.598 15.450 0.239 368 2HZ LYS 42 HZ2 LYS 42 -32.038 15.556 1.838 369 3HZ LYS 42 HZ3 LYS 42 -33.552 14.858 1.513 370 H GLY 43 HN GLY 43 -30.027 8.992 -1.520 371 1HA GLY 43 HA1 GLY 43 -31.025 8.518 -3.597 372 2HA GLY 43 HA2 GLY 43 -32.490 9.270 -2.966 373 H ASN 44 HN ASN 44 -30.580 6.313 -2.467 374 HA ASN 44 HA ASN 44 -32.534 4.483 -3.263 375 1HB ASN 44 HB1 ASN 44 -31.292 2.917 -1.596 376 2HB ASN 44 HB2 ASN 44 -30.313 4.321 -1.184 377 1HD2 ASN 44 HD21 ASN 44 -31.588 3.477 -4.422 378 2HD2 ASN 44 HD22 ASN 44 -30.064 3.296 -5.147 379 H LEU 45 HN LEU 45 -32.012 5.967 -0.105 380 HA LEU 45 HA LEU 45 -33.816 4.476 1.430 381 1HB LEU 45 HB1 LEU 45 -33.195 7.479 1.487 382 2HB LEU 45 HB2 LEU 45 -32.360 6.233 2.388 383 HG LEU 45 HG LEU 45 -33.827 7.220 3.977 384 1HD1 LEU 45 HD11 LEU 45 -35.356 8.072 1.844 385 2HD1 LEU 45 HD12 LEU 45 -35.833 8.207 3.529 386 3HD1 LEU 45 HD13 LEU 45 -36.403 6.860 2.558 387 1HD2 LEU 45 HD21 LEU 45 -35.450 4.851 3.003 388 2HD2 LEU 45 HD22 LEU 45 -35.225 5.410 4.655 389 3HD2 LEU 45 HD23 LEU 45 -33.884 4.672 3.785 390 H THR 46 HN THR 46 -34.483 7.414 -0.467 391 HA THR 46 HA THR 46 -37.287 7.468 0.053 392 HB THR 46 HB THR 46 -35.849 8.410 -2.505 393 HG1 THR 46 HG1 THR 46 -35.649 9.063 0.114 394 1HG2 THR 46 HG21 THR 46 -38.535 8.505 -2.024 395 2HG2 THR 46 HG22 THR 46 -37.706 9.873 -2.761 396 3HG2 THR 46 HG23 THR 46 -38.054 9.880 -1.034 397 H LYS 47 HN LYS 47 -35.345 5.749 -2.295 398 HA LYS 47 HA LYS 47 -37.473 4.876 -3.994 399 1HB LYS 47 HB1 LYS 47 -35.047 3.157 -3.399 400 2HB LYS 47 HB2 LYS 47 -34.825 4.704 -4.210 401 1HG LYS 47 HG1 LYS 47 -36.997 2.962 -5.265 402 2HG LYS 47 HG2 LYS 47 -35.349 2.417 -5.554 403 1HD LYS 47 HD1 LYS 47 -34.783 4.586 -6.561 404 2HD LYS 47 HD2 LYS 47 -36.400 5.188 -6.216 405 1HE LYS 47 HE1 LYS 47 -37.379 3.910 -7.877 406 2HE LYS 47 HE2 LYS 47 -36.180 2.630 -7.745 407 1HZ LYS 47 HZ1 LYS 47 -35.040 3.521 -9.389 408 2HZ LYS 47 HZ2 LYS 47 -34.944 5.016 -8.592 409 3HZ LYS 47 HZ3 LYS 47 -36.266 4.675 -9.600 410 H HIS 48 HN HIS 48 -36.155 3.595 -0.985 411 HA HIS 48 HA HIS 48 -37.729 1.143 -1.144 412 1HB HIS 48 HB1 HIS 48 -36.213 2.477 1.158 413 2HB HIS 48 HB2 HIS 48 -35.629 1.160 0.147 414 HD1 HIS 48 HD1 HIS 48 -37.413 -0.975 0.318 415 HD2 HIS 48 HD2 HIS 48 -37.313 1.573 3.513 416 HE1 HIS 48 HE1 HIS 48 -38.364 -2.236 2.187 417 H MET 49 HN MET 49 -37.990 4.224 0.595 418 HA MET 49 HA MET 49 -40.344 3.496 2.073 419 1HB MET 49 HB1 MET 49 -40.614 6.124 2.066 420 2HB MET 49 HB2 MET 49 -39.052 6.120 1.254 421 1HG MET 49 HG1 MET 49 -38.500 6.282 3.527 422 2HG MET 49 HG2 MET 49 -38.245 4.601 3.137 423 1HE MET 49 HE1 MET 49 -38.051 4.120 5.771 424 2HE MET 49 HE2 MET 49 -39.198 4.823 6.911 425 3HE MET 49 HE3 MET 49 -38.223 5.872 5.880 426 H LYS 50 HN LYS 50 -39.830 4.828 -1.127 427 HA LYS 50 HA LYS 50 -42.485 5.679 -1.668 428 1HB LYS 50 HB1 LYS 50 -40.589 4.362 -3.664 429 2HB LYS 50 HB2 LYS 50 -40.364 6.013 -3.098 430 1HG LYS 50 HG1 LYS 50 -42.706 6.527 -3.870 431 2HG LYS 50 HG2 LYS 50 -42.778 4.914 -4.573 432 1HD LYS 50 HD1 LYS 50 -40.758 5.449 -5.935 433 2HD LYS 50 HD2 LYS 50 -40.771 7.082 -5.278 434 1HE LYS 50 HE1 LYS 50 -43.096 7.369 -6.173 435 2HE LYS 50 HE2 LYS 50 -42.966 5.785 -6.925 436 1HZ LYS 50 HZ1 LYS 50 -42.141 6.889 -8.648 437 2HZ LYS 50 HZ2 LYS 50 -40.713 7.032 -7.741 438 3HZ LYS 50 HZ3 LYS 50 -41.849 8.295 -7.743 439 H SER 51 HN SER 51 -40.937 2.520 -2.044 440 HA SER 51 HA SER 51 -42.977 1.143 -3.384 441 1HB SER 51 HB1 SER 51 -42.066 -0.898 -2.204 442 2HB SER 51 HB2 SER 51 -41.168 0.167 -1.105 443 HG SER 51 HG1 SER 51 -39.810 -0.225 -2.799 444 H LYS 52 HN LYS 52 -44.818 0.054 -2.757 445 HA LYS 52 HA LYS 52 -46.255 1.196 -0.523 446 1HB LYS 52 HB1 LYS 52 -47.107 -1.387 -1.839 447 2HB LYS 52 HB2 LYS 52 -47.077 0.076 -2.819 448 1HG LYS 52 HG1 LYS 52 -48.578 1.207 -1.271 449 2HG LYS 52 HG2 LYS 52 -48.508 -0.148 -0.151 450 1HD LYS 52 HD1 LYS 52 -49.525 -1.614 -1.877 451 2HD LYS 52 HD2 LYS 52 -49.616 -0.245 -2.978 452 1HE LYS 52 HE1 LYS 52 -51.172 0.909 -1.561 453 2HE LYS 52 HE2 LYS 52 -50.895 -0.212 -0.233 454 1HZ LYS 52 HZ1 LYS 52 -51.899 -1.225 -2.800 455 2HZ LYS 52 HZ2 LYS 52 -52.971 -0.467 -1.722 456 3HZ LYS 52 HZ3 LYS 52 -52.114 -1.851 -1.236 457 H ALA 53 HN ALA 53 -43.746 -0.657 -0.241 458 HA ALA 53 HA ALA 53 -44.334 -3.025 1.077 459 1HB ALA 53 HB1 ALA 53 -42.017 -2.246 0.729 460 2HB ALA 53 HB2 ALA 53 -42.252 -2.550 2.446 461 3HB ALA 53 HB3 ALA 53 -42.269 -0.899 1.834 462 H HIS 54 HN HIS 54 -43.454 -0.260 3.100 463 HA HIS 54 HA HIS 54 -45.946 -0.588 4.637 464 1HB HIS 54 HB1 HIS 54 -44.739 -2.066 5.960 465 2HB HIS 54 HB2 HIS 54 -44.229 -0.567 6.724 466 HD1 HIS 54 HD1 HIS 54 -42.948 -3.317 4.729 467 HD2 HIS 54 HD2 HIS 54 -41.554 0.333 5.945 468 HE1 HIS 54 HE1 HIS 54 -40.521 -3.406 4.422 469 H SER 55 HN SER 55 -46.405 1.514 3.976 470 HA SER 55 HA SER 55 -45.263 3.556 5.730 471 1HB SER 55 HB1 SER 55 -45.071 3.940 2.694 472 2HB SER 55 HB2 SER 55 -43.691 3.470 3.705 473 HG SER 55 HG1 SER 55 -44.159 5.831 3.362 474 H LYS 56 HN LYS 56 -47.658 3.054 6.150 475 HA LYS 56 HA LYS 56 -49.479 4.421 4.265 476 1HB LYS 56 HB1 LYS 56 -51.238 3.648 5.914 477 2HB LYS 56 HB2 LYS 56 -49.963 2.995 6.929 478 1HG LYS 56 HG1 LYS 56 -49.956 2.158 4.056 479 2HG LYS 56 HG2 LYS 56 -51.244 1.509 5.059 480 1HD LYS 56 HD1 LYS 56 -48.460 1.426 6.165 481 2HD LYS 56 HD2 LYS 56 -48.863 0.297 4.877 482 1HE LYS 56 HE1 LYS 56 -49.322 -0.674 7.119 483 2HE LYS 56 HE2 LYS 56 -50.788 -0.529 6.159 484 1HZ LYS 56 HZ1 LYS 56 -50.891 0.236 8.546 485 2HZ LYS 56 HZ2 LYS 56 -51.491 1.311 7.375 486 3HZ LYS 56 HZ3 LYS 56 -49.959 1.572 8.061 487 H LYS 57 HN LYS 57 -50.467 4.649 7.480 488 HA LYS 57 HA LYS 57 -50.798 7.435 7.446 489 1HB LYS 57 HB1 LYS 57 -51.491 7.182 9.693 490 2HB LYS 57 HB2 LYS 57 -50.263 5.968 10.036 491 1HG LYS 57 HG1 LYS 57 -51.474 4.255 8.996 492 2HG LYS 57 HG2 LYS 57 -52.386 5.376 7.991 493 1HD LYS 57 HD1 LYS 57 -53.877 5.907 9.692 494 2HD LYS 57 HD2 LYS 57 -52.711 5.560 10.963 495 1HE LYS 57 HE1 LYS 57 -54.671 3.869 10.556 496 2HE LYS 57 HE2 LYS 57 -53.050 3.239 10.820 497 1HZ LYS 57 HZ1 LYS 57 -52.814 2.653 8.651 498 2HZ LYS 57 HZ2 LYS 57 -53.879 3.847 8.079 499 3HZ LYS 57 LYS 57 -54.492 2.444 8.816 Start of MODEL 24 Raw file had 499 H/Q atoms Start of MODEL 24 1 1H LYS 1 HT1 LYS 1 -8.155 -3.316 -8.197 2 2H LYS 1 HT2 LYS 1 -7.268 -3.366 -9.644 3 3H LYS 1 HT3 LYS 1 -7.672 -4.809 -8.846 4 HA LYS 1 HA LYS 1 -9.149 -3.328 -10.756 5 1HB LYS 1 HB1 LYS 1 -10.475 -5.430 -10.788 6 2HB LYS 1 HB2 LYS 1 -9.735 -5.942 -9.276 7 1HG LYS 1 HG1 LYS 1 -7.490 -5.840 -10.417 8 2HG LYS 1 HG2 LYS 1 -8.328 -5.515 -11.931 9 1HD LYS 1 HD1 LYS 1 -9.554 -7.641 -11.728 10 2HD LYS 1 HD2 LYS 1 -8.770 -7.961 -10.186 11 1HE LYS 1 HE1 LYS 1 -6.600 -8.112 -11.235 12 2HE LYS 1 HE2 LYS 1 -7.238 -7.525 -12.765 13 1HZ LYS 1 HZ1 LYS 1 -7.230 -9.746 -13.148 14 2HZ LYS 1 HZ2 LYS 1 -8.788 -9.596 -12.488 15 3HZ LYS 1 HZ3 LYS 1 -7.508 -10.158 -11.524 16 OH TYR 2 OH TYR 2 -7.478 2.665 -8.459 17 H TYR 2 HN TYR 2 -10.706 -1.919 -10.373 18 HA TYR 2 HA TYR 2 -11.926 -1.720 -7.712 19 1HB TYR 2 HB1 TYR 2 -13.087 0.232 -8.692 20 2HB TYR 2 HB2 TYR 2 -12.553 -0.228 -10.304 21 HD1 TYR 2 HD2 TYR 2 -11.373 0.896 -6.975 22 HD2 TYR 2 HD1 TYR 2 -10.338 0.304 -11.055 23 HE1 TYR 2 HE2 TYR 2 -9.310 2.180 -6.638 24 HE2 TYR 2 HE1 TYR 2 -8.264 1.567 -10.714 25 HH TYR 2 HH TYR 2 -6.797 2.048 -8.182 26 H ILE 3 HN ILE 3 -12.721 -4.068 -8.190 27 HA ILE 3 HA ILE 3 -15.518 -3.827 -9.220 28 HB ILE 3 HB ILE 3 -13.764 -6.311 -9.482 29 1HG1 ILE 3 HG11 ILE 3 -12.731 -4.510 -10.784 30 2HG1 ILE 3 HG12 ILE 3 -14.282 -4.113 -11.517 31 1HG2 ILE 3 HG21 ILE 3 -16.198 -5.469 -11.115 32 2HG2 ILE 3 HG22 ILE 3 -16.381 -6.331 -9.591 33 3HG2 ILE 3 HG23 ILE 3 -15.527 -7.087 -10.932 34 1HD1 ILE 3 HD1 ILE 3 -13.222 -6.924 -11.719 35 2HD1 ILE 3 HD2 ILE 3 -12.613 -5.684 -12.812 36 3HD1 ILE 3 HD3 ILE 3 -14.329 -6.079 -12.796 37 H CYS 4 HN CYS 4 -16.734 -3.959 -7.396 38 HA CYS 4 HA CYS 4 -15.937 -5.191 -4.993 39 1HB CYS 4 HB1 CYS 4 -18.649 -4.619 -6.177 40 2HB CYS 4 HB2 CYS 4 -17.835 -3.756 -4.905 41 H GLU 5 HN GLU 5 -15.606 -7.209 -4.499 42 HA GLU 5 HA GLU 5 -16.230 -9.351 -6.301 43 1HB GLU 5 HB1 GLU 5 -15.136 -10.762 -4.670 44 2HB GLU 5 HB2 GLU 5 -15.466 -9.624 -3.369 45 1HG GLU 5 HG1 GLU 5 -13.934 -7.995 -4.323 46 2HG GLU 5 HG2 GLU 5 -13.713 -8.985 -5.764 47 H GLU 6 HN GLU 6 -18.091 -7.788 -3.949 48 HA GLU 6 HA GLU 6 -19.697 -10.166 -3.366 49 1HB GLU 6 HB1 GLU 6 -20.361 -7.335 -2.503 50 2HB GLU 6 HB2 GLU 6 -19.074 -8.226 -1.704 51 1HG GLU 6 HG1 GLU 6 -21.143 -8.580 -0.464 52 2HG GLU 6 HG2 GLU 6 -20.713 -10.088 -1.265 53 H CYS 7 HN CYS 7 -20.666 -6.866 -4.259 54 HA CYS 7 HA CYS 7 -23.070 -7.854 -5.544 55 1HB CYS 7 HB1 CYS 7 -23.572 -5.576 -5.952 56 2HB CYS 7 HB2 CYS 7 -21.896 -5.120 -6.024 57 H GLY 8 HN GLY 8 -19.963 -6.583 -6.656 58 1HA GLY 8 HA1 GLY 8 -20.562 -7.724 -9.343 59 2HA GLY 8 HA2 GLY 8 -18.951 -7.402 -8.719 60 H ILE 9 HN ILE 9 -20.210 -4.758 -7.665 61 HA ILE 9 HA ILE 9 -20.940 -3.221 -9.941 62 HB ILE 9 HB ILE 9 -21.042 -2.700 -7.317 63 1HG1 ILE 9 HG11 ILE 9 -20.776 -0.857 -9.664 64 2HG1 ILE 9 HG12 ILE 9 -20.847 -0.151 -8.054 65 1HG2 ILE 9 HG21 ILE 9 -18.406 -2.637 -7.341 66 2HG2 ILE 9 HG22 ILE 9 -19.234 -1.337 -6.504 67 3HG2 ILE 9 HG23 ILE 9 -18.588 -1.069 -8.117 68 1HD1 ILE 9 HD1 ILE 9 -23.106 -0.434 -9.148 69 2HD1 ILE 9 HD2 ILE 9 -22.959 -1.247 -7.592 70 3HD1 ILE 9 HD3 ILE 9 -22.855 -2.175 -9.084 71 NH1 ARG 10 NH2 ARG 10 -16.881 -3.586 -17.846 72 NH2 ARG 10 NH1 ARG 10 -17.134 -1.323 -18.045 73 H ARG 10 HN ARG 10 -19.752 -1.856 -11.261 74 HA ARG 10 HA ARG 10 -16.796 -2.291 -11.182 75 1HB ARG 10 HB1 ARG 10 -18.425 -1.622 -13.657 76 2HB ARG 10 HB2 ARG 10 -18.247 -3.284 -13.117 77 1HG ARG 10 HG1 ARG 10 -15.715 -2.883 -13.128 78 2HG ARG 10 HG2 ARG 10 -16.048 -1.370 -13.960 79 1HD ARG 10 HD1 ARG 10 -16.997 -4.085 -14.932 80 2HD ARG 10 HD2 ARG 10 -15.542 -3.281 -15.518 81 HE ARG 10 HE ARG 10 -18.060 -1.741 -15.709 82 1HH1 ARG 10 HH21 ARG 10 -16.877 -4.399 -17.265 83 2HH1 ARG 10 HH22 ARG 10 -16.702 -3.671 -18.827 84 1HH2 ARG 10 HH11 ARG 10 -17.320 -0.442 -17.612 85 2HH2 ARG 10 HH12 ARG 10 -16.959 -1.371 -19.028 86 H ABA 11 HN ABU 11 -16.119 -0.473 -10.188 87 HA ABA 11 HA ABU 11 -16.891 2.131 -11.460 88 1HB ABA 11 HB1 ABU 11 -16.139 2.999 -9.087 89 2HB ABA 11 HB2 ABU 11 -16.372 1.339 -8.585 90 1HG ABA 11 HG1 ABU 11 -18.689 1.429 -9.554 91 2HG ABA 11 HG2 ABU 11 -18.446 3.149 -9.837 92 3HG ABA 11 HG3 ABU 11 -18.447 2.518 -8.193 93 H LYS 12 HN LYS 12 -15.159 2.043 -12.909 94 HA LYS 12 HA LYS 12 -12.494 1.437 -12.423 95 1HB LYS 12 HB1 LYS 12 -11.981 2.933 -14.320 96 2HB LYS 12 HB2 LYS 12 -13.519 3.760 -14.116 97 1HG LYS 12 HG1 LYS 12 -14.732 1.685 -14.633 98 2HG LYS 12 HG2 LYS 12 -13.210 0.811 -14.770 99 1HD LYS 12 HD1 LYS 12 -12.542 2.124 -16.686 100 2HD LYS 12 HD2 LYS 12 -13.891 3.232 -16.465 101 1HE LYS 12 HE1 LYS 12 -14.324 1.567 -18.273 102 2HE LYS 12 HE2 LYS 12 -15.488 1.443 -16.960 103 1HZ LYS 12 HZ1 LYS 12 -14.317 -0.415 -16.070 104 2HZ LYS 12 HZ2 LYS 12 -13.064 -0.245 -17.204 105 3HZ LYS 12 HZ3 LYS 12 -14.614 -0.713 -17.715 106 H LYS 13 HN LYS 13 -14.240 4.236 -11.292 107 HA LYS 13 HA LYS 13 -11.730 5.620 -10.633 108 1HB LYS 13 HB1 LYS 13 -13.417 7.332 -9.647 109 2HB LYS 13 HB2 LYS 13 -14.672 6.310 -10.340 110 1HG LYS 13 HG1 LYS 13 -13.702 6.571 -12.573 111 2HG LYS 13 HG2 LYS 13 -12.359 7.496 -11.911 112 1HD LYS 13 HD1 LYS 13 -13.680 9.369 -11.493 113 2HD LYS 13 HD2 LYS 13 -15.155 8.421 -11.337 114 1HE LYS 13 HE1 LYS 13 -15.127 9.724 -13.452 115 2HE LYS 13 HE2 LYS 13 -15.158 7.992 -13.760 116 1HZ LYS 13 HZ1 LYS 13 -12.775 9.754 -13.844 117 2HZ LYS 13 HZ2 LYS 13 -13.554 9.037 -15.171 118 3HZ LYS 13 HZ3 LYS 13 -12.739 8.067 -14.040 119 HA PRO 14 HA PRO 14 -11.523 3.962 -6.493 120 1HB PRO 14 HB1 PRO 14 -9.528 4.920 -5.846 121 2HB PRO 14 HB2 PRO 14 -10.422 6.339 -5.298 122 1HG PRO 14 HG1 PRO 14 -8.632 6.226 -7.507 123 2HG PRO 14 HG2 PRO 14 -9.709 7.563 -7.102 124 1HD PRO 14 HD1 PRO 14 -10.879 7.093 -9.018 125 2HD PRO 14 HD2 PRO 14 -9.943 5.605 -9.259 126 H SER 15 HN SER 15 -12.084 7.476 -6.222 127 HA SER 15 HA SER 15 -13.596 7.628 -3.951 128 1HB SER 15 HB1 SER 15 -13.275 9.685 -5.155 129 2HB SER 15 HB2 SER 15 -15.017 9.405 -5.340 130 HG SER 15 HG1 SER 15 -14.716 8.980 -7.376 131 H MET 16 HN MET 16 -14.796 6.539 -7.095 132 HA MET 16 HA MET 16 -17.521 6.242 -6.189 133 1HB MET 16 HB1 MET 16 -17.555 4.681 -8.309 134 2HB MET 16 HB2 MET 16 -15.910 5.252 -8.562 135 1HG MET 16 HG1 MET 16 -17.428 6.674 -9.792 136 2HG MET 16 HG2 MET 16 -16.714 7.577 -8.484 137 1HE MET 16 HE1 MET 16 -20.942 7.314 -9.664 138 2HE MET 16 HE2 MET 16 -19.796 6.037 -10.073 139 3HE MET 16 HE3 MET 16 -19.451 7.708 -10.521 140 H LEU 17 HN LEU 17 -14.983 3.800 -6.895 141 HA LEU 17 HA LEU 17 -16.511 1.651 -5.755 142 1HB LEU 17 HB1 LEU 17 -13.463 1.797 -5.895 143 2HB LEU 17 HB2 LEU 17 -14.423 1.538 -7.328 144 HG LEU 17 HG LEU 17 -13.485 -0.587 -6.247 145 1HD1 LEU 17 HD11 LEU 17 -14.447 -1.456 -4.260 146 2HD1 LEU 17 HD12 LEU 17 -15.669 -0.200 -4.206 147 3HD1 LEU 17 HD13 LEU 17 -13.980 0.193 -3.884 148 1HD2 LEU 17 HD21 LEU 17 -15.467 -1.924 -6.608 149 2HD2 LEU 17 HD22 LEU 17 -15.471 -0.620 -7.784 150 3HD2 LEU 17 HD23 LEU 17 -16.516 -0.536 -6.374 151 H LYS 18 HN LYS 18 -13.651 3.360 -4.527 152 HA LYS 18 HA LYS 18 -13.328 2.428 -2.009 153 1HB LYS 18 HB1 LYS 18 -12.947 4.882 -1.291 154 2HB LYS 18 HB2 LYS 18 -13.504 5.342 -2.894 155 1HG LYS 18 HG1 LYS 18 -11.382 5.028 -3.611 156 2HG LYS 18 HG2 LYS 18 -11.632 3.305 -3.361 157 1HD LYS 18 HD1 LYS 18 -10.876 3.541 -1.013 158 2HD LYS 18 HD2 LYS 18 -10.623 5.264 -1.269 159 1HE LYS 18 HE1 LYS 18 -8.477 4.250 -1.575 160 2HE LYS 18 HE2 LYS 18 -9.064 4.609 -3.194 161 1HZ LYS 18 HZ1 LYS 18 -8.867 2.485 -3.688 162 2HZ LYS 18 HZ2 LYS 18 -9.999 2.081 -2.489 163 3HZ LYS 18 HZ3 LYS 18 -8.344 2.131 -2.112 164 H LYS 19 HN LYS 19 -15.880 4.754 -2.874 165 HA LYS 19 HA LYS 19 -16.999 4.757 -0.234 166 1HB LYS 19 HB1 LYS 19 -18.376 5.395 -2.884 167 2HB LYS 19 HB2 LYS 19 -17.373 6.545 -2.007 168 1HG LYS 19 HG1 LYS 19 -18.874 6.333 -0.038 169 2HG LYS 19 HG2 LYS 19 -19.888 5.214 -0.943 170 1HD LYS 19 HD1 LYS 19 -21.014 7.186 -1.398 171 2HD LYS 19 HD2 LYS 19 -19.860 7.206 -2.727 172 1HE LYS 19 HE1 LYS 19 -19.536 9.337 -1.838 173 2HE LYS 19 HE2 LYS 19 -18.314 8.426 -0.960 174 1HZ LYS 19 HZ1 LYS 19 -20.800 8.268 0.375 175 2HZ LYS 19 HZ2 LYS 19 -20.393 9.894 0.102 176 3HZ LYS 19 HZ3 LYS 19 -19.318 8.878 0.937 177 H HIS 20 HN HIS 20 -17.704 3.002 -3.212 178 HA HIS 20 HA HIS 20 -20.077 1.702 -2.373 179 1HB HIS 20 HB1 HIS 20 -17.849 0.667 -4.181 180 2HB HIS 20 HB2 HIS 20 -19.239 1.602 -4.724 181 HD1 HIS 20 HD1 HIS 20 -21.171 0.130 -5.322 182 HD2 HIS 20 HD2 HIS 20 -18.552 -1.857 -2.921 183 HE1 HIS 20 HE1 HIS 20 -22.071 -2.138 -5.113 184 H ILE 21 HN ILE 21 -16.696 0.576 -2.194 185 HA ILE 21 HA ILE 21 -17.372 -1.848 -0.860 186 HB ILE 21 HB ILE 21 -15.087 -0.997 -1.962 187 1HG1 ILE 21 HG11 ILE 21 -15.595 -2.965 0.246 188 2HG1 ILE 21 HG12 ILE 21 -13.936 -2.695 -0.271 189 1HG2 ILE 21 HG21 ILE 21 -13.471 -0.205 -0.368 190 2HG2 ILE 21 HG22 ILE 21 -14.464 -0.674 1.007 191 3HG2 ILE 21 HG23 ILE 21 -14.908 0.712 0.028 192 1HD1 ILE 21 HD1 ILE 21 -14.589 -3.189 -2.612 193 2HD1 ILE 21 HD2 ILE 21 -16.246 -3.470 -2.090 194 3HD1 ILE 21 HD3 ILE 21 -14.962 -4.543 -1.551 195 NH1 ARG 22 NH1 ARG 22 -15.277 6.961 3.390 196 NH2 ARG 22 NH2 ARG 22 -16.248 6.454 5.396 197 H ARG 22 HN ARG 22 -16.948 1.397 0.316 198 HA ARG 22 HA ARG 22 -16.661 0.612 3.106 199 1HB ARG 22 HB1 ARG 22 -17.436 3.119 3.392 200 2HB ARG 22 HB2 ARG 22 -17.305 3.196 1.639 201 1HG ARG 22 HG1 ARG 22 -14.954 2.417 1.788 202 2HG ARG 22 HG2 ARG 22 -15.089 2.358 3.539 203 1HD ARG 22 HD1 ARG 22 -15.711 4.896 2.022 204 2HD ARG 22 HD2 ARG 22 -14.058 4.500 2.491 205 HE ARG 22 HE ARG 22 -15.363 4.209 4.861 206 1HH1 ARG 22 HH11 ARG 22 -14.812 6.651 2.561 207 2HH1 ARG 22 HH12 ARG 22 -15.469 7.934 3.522 208 1HH2 ARG 22 HH21 ARG 22 -16.509 5.764 6.071 209 2HH2 ARG 22 HH22 ARG 22 -16.456 7.418 5.561 210 H THR 23 HN THR 23 -19.339 0.907 0.944 211 HA THR 23 HA THR 23 -21.285 1.364 3.053 212 HB THR 23 HB THR 23 -21.740 0.180 0.243 213 HG1 THR 23 HG1 THR 23 -20.941 2.113 -0.165 214 1HG2 THR 23 HG21 THR 23 -23.891 0.092 1.292 215 2HG2 THR 23 HG22 THR 23 -23.885 1.771 0.766 216 3HG2 THR 23 HG23 THR 23 -23.492 1.367 2.433 217 H HIS 24 HN HIS 24 -19.495 -1.357 2.111 218 HA HIS 24 HA HIS 24 -21.555 -3.310 2.921 219 1HB HIS 24 HB1 HIS 24 -19.438 -4.883 2.746 220 2HB HIS 24 HB2 HIS 24 -18.648 -3.480 2.033 221 HD1 HIS 24 HD1 HIS 24 -21.932 -5.233 1.417 222 HD2 HIS 24 HD2 HIS 24 -18.888 -3.505 -0.661 223 HE1 HIS 24 HE1 HIS 24 -22.514 -5.499 -0.971 224 H THR 25 HN THR 25 -19.893 -1.177 4.650 225 HA THR 25 HA THR 25 -18.993 -3.058 6.761 226 HB THR 25 HB THR 25 -18.264 -0.766 7.814 227 HG1 THR 25 HG1 THR 25 -18.288 0.567 5.605 228 1HG2 THR 25 HG21 THR 25 -16.516 -1.950 6.552 229 2HG2 THR 25 HG22 THR 25 -16.554 -0.311 5.909 230 3HG2 THR 25 HG23 THR 25 -17.336 -1.620 5.028 231 H ASP 26 HN ASP 26 -20.049 0.008 7.737 232 HA ASP 26 HA ASP 26 -22.753 -0.825 8.454 233 1HB ASP 26 HB1 ASP 26 -22.350 -0.583 10.913 234 2HB ASP 26 HB2 ASP 26 -20.641 -0.291 10.605 235 H VAL 27 HN VAL 27 -21.381 1.233 6.979 236 HA VAL 27 HA VAL 27 -21.902 3.659 8.599 237 HB VAL 27 HB VAL 27 -19.804 3.572 7.337 238 1HG1 VAL 27 HG11 VAL 27 -20.417 1.936 5.658 239 2HG1 VAL 27 HG12 VAL 27 -19.865 3.391 4.840 240 3HG1 VAL 27 HG13 VAL 27 -21.586 3.040 4.949 241 1HG2 VAL 27 HG21 VAL 27 -21.619 5.653 7.170 242 2HG2 VAL 27 HG22 VAL 27 -21.191 5.385 5.483 243 3HG2 VAL 27 HG23 VAL 27 -19.935 5.743 6.663 244 NH1 ARG 28 NH2 ARG 28 -26.245 -1.728 2.639 245 NH2 ARG 28 NH1 ARG 28 -24.566 -2.856 3.703 246 H ARG 28 HN ARG 28 -24.178 2.279 8.052 247 HA ARG 28 HA ARG 28 -25.539 3.877 5.923 248 1HB ARG 28 HB1 ARG 28 -27.254 1.945 6.113 249 2HB ARG 28 HB2 ARG 28 -26.048 1.112 7.087 250 1HG ARG 28 HG1 ARG 28 -24.574 1.943 4.907 251 2HG ARG 28 HG2 ARG 28 -26.126 1.541 4.185 252 1HD ARG 28 HD1 ARG 28 -26.044 -0.649 5.465 253 2HD ARG 28 HD2 ARG 28 -24.381 -0.254 5.892 254 HE ARG 28 HE ARG 28 -24.049 -0.109 3.313 255 1HH1 ARG 28 HH21 ARG 28 -26.686 -0.858 2.418 256 2HH1 ARG 28 HH22 ARG 28 -26.622 -2.583 2.286 257 1HH2 ARG 28 HH11 ARG 28 -23.750 -2.832 4.280 258 2HH2 ARG 28 HH12 ARG 28 -24.915 -3.731 3.368 259 HA PRO 29 HA PRO 29 -27.180 5.312 10.025 260 1HB PRO 29 HB1 PRO 29 -26.716 7.557 9.968 261 2HB PRO 29 HB2 PRO 29 -27.901 7.800 8.685 262 1HG PRO 29 HG1 PRO 29 -24.988 7.692 8.466 263 2HG PRO 29 HG2 PRO 29 -26.162 8.121 7.222 264 1HD PRO 29 HD1 PRO 29 -25.981 6.064 6.260 265 2HD PRO 29 HD2 PRO 29 -24.652 5.711 7.377 266 OH TYR 30 OH TYR 30 -29.602 10.682 3.913 267 H TYR 30 HN TYR 30 -28.589 5.547 6.792 268 HA TYR 30 HA TYR 30 -31.274 6.095 7.671 269 1HB TYR 30 HB1 TYR 30 -31.886 5.181 5.370 270 2HB TYR 30 HB2 TYR 30 -30.209 4.704 5.162 271 HD1 TYR 30 HD1 TYR 30 -32.182 7.729 6.177 272 HD2 TYR 30 HD2 TYR 30 -28.799 6.231 4.075 273 HE1 TYR 30 HE1 TYR 30 -31.637 10.000 5.432 274 HE2 TYR 30 HE2 TYR 30 -28.255 8.502 3.333 275 HH TYR 30 HH TYR 30 -28.646 10.757 3.863 276 H HIS 31 HN HIS 31 -31.233 4.582 9.534 277 HA HIS 31 HA HIS 31 -31.534 1.715 8.877 278 1HB HIS 31 HB1 HIS 31 -32.019 1.738 11.497 279 2HB HIS 31 HB2 HIS 31 -31.378 3.375 11.415 280 HD1 HIS 31 HD1 HIS 31 -30.297 -0.057 11.358 281 HD2 HIS 31 HD2 HIS 31 -28.639 3.543 10.495 282 HE1 HIS 31 HE1 HIS 31 -27.906 -0.476 11.271 283 H CYS 32 HN CYS 32 -33.451 0.616 8.889 284 HA CYS 32 HA CYS 32 -35.880 2.089 8.587 285 1HB CYS 32 HB1 CYS 32 -35.196 -0.825 9.070 286 2HB CYS 32 HB2 CYS 32 -35.843 -0.090 7.624 287 H THR 33 HN THR 33 -37.501 2.565 10.023 288 HA THR 33 HA THR 33 -36.808 2.785 12.799 289 HB THR 33 HB THR 33 -39.528 2.965 11.365 290 HG1 THR 33 HG1 THR 33 -38.125 5.093 12.475 291 1HG2 THR 33 HG21 THR 33 -39.934 4.498 13.470 292 2HG2 THR 33 HG22 THR 33 -38.587 3.632 14.202 293 3HG2 THR 33 HG23 THR 33 -40.047 2.762 13.740 294 OH TYR 34 OH TYR 34 -43.902 2.341 10.826 295 H TYR 34 HN TYR 34 -38.288 0.291 10.939 296 HA TYR 34 HA TYR 34 -39.192 -1.125 13.383 297 1HB TYR 34 HB1 TYR 34 -40.401 -2.596 11.839 298 2HB TYR 34 HB2 TYR 34 -39.529 -1.943 10.459 299 HD1 TYR 34 HD2 TYR 34 -39.793 0.626 10.027 300 HD2 TYR 34 HD1 TYR 34 -42.451 -1.619 12.474 301 HE1 TYR 34 HE2 TYR 34 -41.496 2.367 9.773 302 HE2 TYR 34 HE1 TYR 34 -44.161 0.120 12.205 303 HH TYR 34 HH TYR 34 -44.764 1.930 10.922 304 H CYS 35 HN CYS 35 -37.797 -2.403 10.372 305 HA CYS 35 HA CYS 35 -36.490 -4.577 11.670 306 1HB CYS 35 HB1 CYS 35 -35.485 -3.284 9.128 307 2HB CYS 35 HB2 CYS 35 -35.430 -4.963 9.565 308 H ASN 36 HN ASN 36 -33.956 -4.557 10.593 309 HA ASN 36 HA ASN 36 -32.588 -2.417 12.174 310 1HB ASN 36 HB1 ASN 36 -32.073 -5.407 11.910 311 2HB ASN 36 HB2 ASN 36 -32.178 -4.446 13.384 312 1HD2 ASN 36 HD21 ASN 36 -30.309 -3.130 13.975 313 2HD2 ASN 36 HD22 ASN 36 -28.788 -3.397 13.272 314 H PHE 37 HN PHE 37 -33.139 -3.731 9.168 315 HA PHE 37 HA PHE 37 -30.521 -3.524 7.998 316 1HB PHE 37 HB1 PHE 37 -33.023 -3.014 6.389 317 2HB PHE 37 HB2 PHE 37 -32.835 -4.601 7.137 318 HD1 PHE 37 HD2 PHE 37 -30.328 -5.599 6.856 319 HD2 PHE 37 HD1 PHE 37 -32.144 -2.768 4.245 320 HE1 PHE 37 HE2 PHE 37 -28.774 -6.248 5.066 321 HE2 PHE 37 HE1 PHE 37 -30.589 -3.423 2.458 322 HZ PHE 37 HZ PHE 37 -28.904 -5.162 2.868 323 H SER 38 HN SER 38 -29.695 -1.875 6.678 324 HA SER 38 HA SER 38 -31.122 0.721 6.772 325 1HB SER 38 HB1 SER 38 -28.200 0.433 7.604 326 2HB SER 38 HB2 SER 38 -29.530 0.508 8.766 327 HG SER 38 HG1 SER 38 -29.481 2.581 8.453 328 H PHE 39 HN PHE 39 -29.888 2.393 5.519 329 HA PHE 39 HA PHE 39 -28.396 1.175 3.248 330 1HB PHE 39 HB1 PHE 39 -29.836 2.297 1.682 331 2HB PHE 39 HB2 PHE 39 -30.501 3.346 2.936 332 HD1 PHE 39 HD2 PHE 39 -32.029 2.387 4.676 333 HD2 PHE 39 HD1 PHE 39 -30.720 0.064 1.352 334 HE1 PHE 39 HE2 PHE 39 -33.778 0.725 5.145 335 HE2 PHE 39 HE1 PHE 39 -32.488 -1.579 1.811 336 HZ PHE 39 HZ PHE 39 -34.017 -1.250 3.708 337 H LYS 40 HN LYS 40 -27.276 2.856 1.949 338 HA LYS 40 HA LYS 40 -26.047 4.804 3.788 339 1HB LYS 40 HB1 LYS 40 -25.442 4.059 0.883 340 2HB LYS 40 HB2 LYS 40 -24.635 3.388 2.281 341 1HG LYS 40 HG1 LYS 40 -24.596 6.347 1.565 342 2HG LYS 40 HG2 LYS 40 -23.321 5.217 1.153 343 1HD LYS 40 HD1 LYS 40 -23.273 4.653 3.685 344 2HD LYS 40 HD2 LYS 40 -24.168 6.153 3.891 345 1HE LYS 40 HE1 LYS 40 -22.041 7.024 4.001 346 2HE LYS 40 HE2 LYS 40 -22.242 7.059 2.254 347 1HZ LYS 40 HZ1 LYS 40 -21.032 4.794 3.733 348 2HZ LYS 40 HZ2 LYS 40 -20.138 6.048 3.016 349 3HZ LYS 40 HZ3 LYS 40 -21.077 5.014 2.050 350 H THR 41 HN THR 41 -28.296 4.693 1.188 351 HA THR 41 HA THR 41 -28.341 7.685 1.119 352 HB THR 41 HB THR 41 -28.888 7.556 -1.238 353 HG1 THR 41 HG1 THR 41 -29.165 4.781 -1.123 354 1HG2 THR 41 HG21 THR 41 -27.313 4.953 -0.939 355 2HG2 THR 41 HG22 THR 41 -26.525 6.483 -0.570 356 3HG2 THR 41 HG23 THR 41 -27.141 6.179 -2.191 357 H LYS 42 HN LYS 42 -30.400 8.656 0.769 358 HA LYS 42 HA LYS 42 -32.455 7.406 2.353 359 1HB LYS 42 HB1 LYS 42 -32.540 9.921 0.625 360 2HB LYS 42 HB2 LYS 42 -32.050 9.883 2.314 361 1HG LYS 42 HG1 LYS 42 -34.235 10.219 2.818 362 2HG LYS 42 HG2 LYS 42 -34.501 8.554 2.316 363 1HD LYS 42 HD1 LYS 42 -34.891 9.317 -0.008 364 2HD LYS 42 HD2 LYS 42 -34.624 10.983 0.495 365 1HE LYS 42 HE1 LYS 42 -36.532 10.818 2.059 366 2HE LYS 42 HE2 LYS 42 -36.801 9.153 1.559 367 1HZ LYS 42 HZ1 LYS 42 -36.756 11.308 -0.444 368 2HZ LYS 42 HZ2 LYS 42 -38.157 11.026 0.475 369 3HZ LYS 42 HZ3 LYS 42 -37.526 9.795 -0.510 370 H GLY 43 HN GLY 43 -31.610 7.353 -0.930 371 1HA GLY 43 HA1 GLY 43 -32.697 6.468 -2.817 372 2HA GLY 43 HA2 GLY 43 -34.199 7.084 -2.132 373 H ASN 44 HN ASN 44 -31.851 4.453 -1.661 374 HA ASN 44 HA ASN 44 -33.623 2.334 -1.979 375 1HB ASN 44 HB1 ASN 44 -31.991 1.160 -0.269 376 2HB ASN 44 HB2 ASN 44 -31.114 2.686 -0.309 377 1HD2 ASN 44 HD21 ASN 44 -29.703 3.000 -2.046 378 2HD2 ASN 44 HD22 ASN 44 -29.642 2.017 -3.428 379 H LEU 45 HN LEU 45 -33.112 4.343 0.853 380 HA LEU 45 HA LEU 45 -34.474 2.710 2.743 381 1HB LEU 45 HB1 LEU 45 -34.219 5.762 2.524 382 2HB LEU 45 HB2 LEU 45 -33.143 4.696 3.403 383 HG LEU 45 HG LEU 45 -34.547 5.644 5.075 384 1HD1 LEU 45 HD11 LEU 45 -36.707 6.322 4.794 385 2HD1 LEU 45 HD12 LEU 45 -37.187 4.830 4.003 386 3HD1 LEU 45 HD13 LEU 45 -36.399 6.096 3.080 387 1HD2 LEU 45 HD21 LEU 45 -35.581 3.738 6.057 388 2HD2 LEU 45 HD22 LEU 45 -34.275 3.096 5.068 389 3HD2 LEU 45 HD23 LEU 45 -35.936 3.011 4.495 390 H THR 46 HN THR 46 -35.662 5.291 0.613 391 HA THR 46 HA THR 46 -38.375 5.206 1.460 392 HB THR 46 HB THR 46 -37.187 5.867 -1.306 393 HG1 THR 46 HG1 THR 46 -36.556 7.527 -0.183 394 1HG2 THR 46 HG21 THR 46 -39.722 5.554 -1.317 395 2HG2 THR 46 HG22 THR 46 -39.273 7.241 -1.541 396 3HG2 THR 46 HG23 THR 46 -39.834 6.680 0.032 397 H LYS 47 HN LYS 47 -36.591 3.274 -0.881 398 HA LYS 47 HA LYS 47 -38.867 1.969 -2.032 399 1HB LYS 47 HB1 LYS 47 -35.962 1.060 -1.679 400 2HB LYS 47 HB2 LYS 47 -36.637 1.853 -3.094 401 1HG LYS 47 HG1 LYS 47 -37.328 -0.926 -2.069 402 2HG LYS 47 HG2 LYS 47 -36.487 -0.530 -3.561 403 1HD LYS 47 HD1 LYS 47 -38.642 0.874 -4.094 404 2HD LYS 47 HD2 LYS 47 -39.395 -0.155 -2.881 405 1HE LYS 47 HE1 LYS 47 -39.649 -1.135 -5.135 406 2HE LYS 47 HE2 LYS 47 -38.647 -2.164 -4.119 407 1HZ LYS 47 HZ1 LYS 47 -37.020 -1.985 -5.574 408 2HZ LYS 47 HZ2 LYS 47 -37.005 -0.294 -5.409 409 3HZ LYS 47 HZ3 LYS 47 -38.002 -1.025 -6.574 410 H HIS 48 HN HIS 48 -36.829 1.198 0.761 411 HA HIS 48 HA HIS 48 -38.015 -1.354 1.296 412 1HB HIS 48 HB1 HIS 48 -36.706 0.679 3.175 413 2HB HIS 48 HB2 HIS 48 -35.897 -0.661 2.372 414 HD1 HIS 48 HD1 HIS 48 -37.203 -3.034 3.047 415 HD2 HIS 48 HD2 HIS 48 -37.479 0.032 5.738 416 HE1 HIS 48 HE1 HIS 48 -37.831 -4.085 5.164 417 H MET 49 HN MET 49 -38.943 1.922 2.102 418 HA MET 49 HA MET 49 -41.091 0.975 3.889 419 1HB MET 49 HB1 MET 49 -41.585 3.440 4.077 420 2HB MET 49 HB2 MET 49 -40.354 3.760 2.861 421 1HG MET 49 HG1 MET 49 -39.303 4.088 4.967 422 2HG MET 49 HG2 MET 49 -38.701 2.581 4.334 423 1HE MET 49 HE1 MET 49 -37.979 3.456 6.816 424 2HE MET 49 HE2 MET 49 -38.631 2.642 8.239 425 3HE MET 49 HE3 MET 49 -39.377 4.129 7.655 426 H LYS 50 HN LYS 50 -40.646 1.850 0.589 427 HA LYS 50 HA LYS 50 -43.329 2.626 -0.043 428 1HB LYS 50 HB1 LYS 50 -41.366 1.148 -1.857 429 2HB LYS 50 HB2 LYS 50 -41.238 2.869 -1.513 430 1HG LYS 50 HG1 LYS 50 -43.438 3.280 -2.469 431 2HG LYS 50 HG2 LYS 50 -43.715 1.553 -2.671 432 1HD LYS 50 HD1 LYS 50 -41.948 1.385 -4.311 433 2HD LYS 50 HD2 LYS 50 -41.414 3.031 -3.982 434 1HE LYS 50 HE1 LYS 50 -43.601 3.887 -4.790 435 2HE LYS 50 HE2 LYS 50 -44.104 2.241 -5.149 436 1HZ LYS 50 HZ1 LYS 50 -42.998 2.274 -7.047 437 2HZ LYS 50 HZ2 LYS 50 -41.576 2.836 -6.307 438 3HZ LYS 50 HZ3 LYS 50 -42.761 3.940 -6.818 439 H SER 51 HN SER 51 -41.685 -0.509 -0.489 440 HA SER 51 HA SER 51 -43.822 -2.009 -1.451 441 1HB SER 51 HB1 SER 51 -41.634 -2.771 0.552 442 2HB SER 51 HB2 SER 51 -41.650 -3.085 -1.194 443 HG SER 51 HG1 SER 51 -42.377 -4.900 0.023 444 H LYS 52 HN LYS 52 -44.953 -3.796 -0.100 445 HA LYS 52 HA LYS 52 -46.679 -2.411 1.780 446 1HB LYS 52 HB1 LYS 52 -47.595 -4.181 0.335 447 2HB LYS 52 HB2 LYS 52 -47.731 -4.715 2.006 448 1HG LYS 52 HG1 LYS 52 -45.605 -5.994 1.745 449 2HG LYS 52 HG2 LYS 52 -45.533 -5.497 0.059 450 1HD LYS 52 HD1 LYS 52 -47.545 -6.690 -0.474 451 2HD LYS 52 HD2 LYS 52 -47.922 -6.946 1.225 452 1HE LYS 52 HE1 LYS 52 -46.284 -8.592 1.480 453 2HE LYS 52 HE2 LYS 52 -45.317 -7.979 0.144 454 1HZ LYS 52 HZ1 LYS 52 -47.124 -8.725 -1.359 455 2HZ LYS 52 HZ2 LYS 52 -47.869 -9.474 -0.028 456 3HZ LYS 52 HZ3 LYS 52 -46.334 -9.987 -0.542 457 H ALA 53 HN ALA 53 -43.766 -2.832 2.437 458 HA ALA 53 HA ALA 53 -43.467 -4.730 4.517 459 1HB ALA 53 HB1 ALA 53 -42.202 -1.979 4.104 460 2HB ALA 53 HB2 ALA 53 -41.528 -3.531 3.619 461 3HB ALA 53 HB3 ALA 53 -41.649 -3.120 5.326 462 H HIS 54 HN HIS 54 -42.829 -1.750 5.916 463 HA HIS 54 HA HIS 54 -45.429 -1.607 7.311 464 1HB HIS 54 HB1 HIS 54 -44.424 -2.989 8.899 465 2HB HIS 54 HB2 HIS 54 -43.820 -1.440 9.477 466 HD1 HIS 54 HD1 HIS 54 -42.632 -4.594 8.356 467 HD2 HIS 54 HD2 HIS 54 -41.117 -0.797 8.286 468 HE1 HIS 54 HE1 HIS 54 -40.219 -4.858 8.025 469 H SER 55 HN SER 55 -45.594 0.412 6.273 470 HA SER 55 HA SER 55 -44.358 2.573 7.809 471 1HB SER 55 HB1 SER 55 -43.908 2.496 4.778 472 2HB SER 55 HB2 SER 55 -42.673 1.995 5.949 473 HG SER 55 HG1 SER 55 -43.612 4.198 6.910 474 H LYS 56 HN LYS 56 -46.392 1.534 5.145 475 HA LYS 56 HA LYS 56 -48.099 3.959 5.589 476 1HB LYS 56 HB1 LYS 56 -48.710 3.818 3.210 477 2HB LYS 56 HB2 LYS 56 -47.816 2.312 3.030 478 1HG LYS 56 HG1 LYS 56 -45.711 3.486 3.557 479 2HG LYS 56 HG2 LYS 56 -46.596 4.991 3.776 480 1HD LYS 56 HD1 LYS 56 -46.976 3.515 1.201 481 2HD LYS 56 HD2 LYS 56 -45.460 4.378 1.434 482 1HE LYS 56 HE1 LYS 56 -48.233 5.580 1.726 483 2HE LYS 56 HE2 LYS 56 -47.153 5.830 0.360 484 1HZ LYS 56 HZ1 LYS 56 -46.172 7.451 1.459 485 2HZ LYS 56 HZ2 LYS 56 -45.764 6.397 2.727 486 3HZ LYS 56 HZ3 LYS 56 -47.240 7.235 2.761 487 H LYS 57 HN LYS 57 -47.950 0.836 6.313 488 HA LYS 57 HA LYS 57 -50.309 -0.365 5.392 489 1HB LYS 57 HB1 LYS 57 -48.656 -1.609 6.719 490 2HB LYS 57 HB2 LYS 57 -50.195 -1.669 7.572 491 1HG LYS 57 HG1 LYS 57 -49.476 0.231 8.993 492 2HG LYS 57 HG2 LYS 57 -47.935 0.280 8.143 493 1HD LYS 57 HD1 LYS 57 -47.599 -2.144 8.828 494 2HD LYS 57 HD2 LYS 57 -49.018 -1.978 9.856 495 1HE LYS 57 HE1 LYS 57 -46.494 -0.295 10.022 496 2HE LYS 57 HE2 LYS 57 -46.968 -1.554 11.156 497 1HZ LYS 57 HZ1 LYS 57 -47.579 0.527 12.070 498 2HZ LYS 57 HZ2 LYS 57 -49.012 -0.243 11.582 499 3HZ LYS 57 LYS 57 -48.359 1.011 10.640 Start of MODEL 25 Raw file had 499 H/Q atoms Start of MODEL 25 1 1H LYS 1 HT1 LYS 1 -7.836 -3.269 -8.395 2 2H LYS 1 HT2 LYS 1 -7.695 -2.505 -9.905 3 3H LYS 1 HT3 LYS 1 -7.153 -4.102 -9.708 4 HA LYS 1 HA LYS 1 -9.413 -3.643 -10.842 5 1HB LYS 1 HB1 LYS 1 -10.250 -5.710 -9.223 6 2HB LYS 1 HB2 LYS 1 -8.518 -5.744 -8.914 7 1HG LYS 1 HG1 LYS 1 -8.140 -5.756 -11.404 8 2HG LYS 1 HG2 LYS 1 -9.880 -5.902 -11.622 9 1HD LYS 1 HD1 LYS 1 -9.666 -7.937 -9.990 10 2HD LYS 1 HD2 LYS 1 -7.959 -7.886 -10.415 11 1HE LYS 1 HE1 LYS 1 -8.844 -7.788 -12.883 12 2HE LYS 1 HE2 LYS 1 -10.331 -8.424 -12.190 13 1HZ LYS 1 HZ1 LYS 1 -8.618 -10.074 -13.031 14 2HZ LYS 1 HZ2 LYS 1 -9.274 -10.350 -11.489 15 3HZ LYS 1 HZ3 LYS 1 -7.720 -9.685 -11.643 16 OH TYR 2 OH TYR 2 -7.298 2.463 -8.181 17 H TYR 2 HN TYR 2 -10.904 -2.147 -10.443 18 HA TYR 2 HA TYR 2 -11.857 -1.757 -7.652 19 1HB TYR 2 HB1 TYR 2 -12.985 0.247 -8.619 20 2HB TYR 2 HB2 TYR 2 -12.418 -0.209 -10.223 21 HD1 TYR 2 HD2 TYR 2 -11.290 0.804 -6.838 22 HD2 TYR 2 HD1 TYR 2 -10.174 0.272 -10.904 23 HE1 TYR 2 HE2 TYR 2 -9.190 1.997 -6.417 24 HE2 TYR 2 HE1 TYR 2 -8.067 1.451 -10.482 25 HH TYR 2 HH TYR 2 -6.666 1.826 -7.836 26 H ILE 3 HN ILE 3 -12.758 -4.090 -8.259 27 HA ILE 3 HA ILE 3 -15.599 -3.648 -9.075 28 HB ILE 3 HB ILE 3 -13.944 -6.169 -9.573 29 1HG1 ILE 3 HG11 ILE 3 -14.186 -3.655 -11.095 30 2HG1 ILE 3 HG12 ILE 3 -14.548 -5.094 -12.041 31 1HG2 ILE 3 HG21 ILE 3 -16.451 -6.419 -9.402 32 2HG2 ILE 3 HG22 ILE 3 -15.881 -6.747 -11.035 33 3HG2 ILE 3 HG23 ILE 3 -16.643 -5.204 -10.662 34 1HD1 ILE 3 HD1 ILE 3 -12.121 -4.538 -12.100 35 2HD1 ILE 3 HD2 ILE 3 -12.411 -6.107 -11.356 36 3HD1 ILE 3 HD3 ILE 3 -12.054 -4.707 -10.349 37 H CYS 4 HN CYS 4 -16.840 -3.930 -7.323 38 HA CYS 4 HA CYS 4 -15.947 -5.201 -4.953 39 1HB CYS 4 HB1 CYS 4 -18.708 -4.596 -6.014 40 2HB CYS 4 HB2 CYS 4 -17.820 -3.710 -4.809 41 H GLU 5 HN GLU 5 -15.574 -7.237 -4.586 42 HA GLU 5 HA GLU 5 -16.336 -9.315 -6.401 43 1HB GLU 5 HB1 GLU 5 -15.429 -10.808 -4.515 44 2HB GLU 5 HB2 GLU 5 -15.177 -9.335 -3.584 45 1HG GLU 5 HG1 GLU 5 -13.946 -8.536 -5.802 46 2HG GLU 5 HG2 GLU 5 -13.776 -10.270 -6.068 47 H GLU 6 HN GLU 6 -18.045 -7.809 -3.892 48 HA GLU 6 HA GLU 6 -19.654 -10.179 -3.296 49 1HB GLU 6 HB1 GLU 6 -20.244 -7.353 -2.368 50 2HB GLU 6 HB2 GLU 6 -18.962 -8.293 -1.617 51 1HG GLU 6 HG1 GLU 6 -20.614 -10.103 -1.141 52 2HG GLU 6 HG2 GLU 6 -21.885 -9.094 -1.826 53 H CYS 7 HN CYS 7 -20.590 -6.850 -4.143 54 HA CYS 7 HA CYS 7 -23.076 -7.793 -5.307 55 1HB CYS 7 HB1 CYS 7 -23.526 -5.496 -5.751 56 2HB CYS 7 HB2 CYS 7 -21.837 -5.086 -5.814 57 H GLY 8 HN GLY 8 -20.056 -6.444 -6.576 58 1HA GLY 8 HA1 GLY 8 -20.731 -7.641 -9.227 59 2HA GLY 8 HA2 GLY 8 -19.096 -7.333 -8.654 60 H ILE 9 HN ILE 9 -20.231 -4.678 -7.558 61 HA ILE 9 HA ILE 9 -21.047 -3.130 -9.805 62 HB ILE 9 HB ILE 9 -21.097 -2.593 -7.208 63 1HG1 ILE 9 HG11 ILE 9 -20.732 -0.753 -9.541 64 2HG1 ILE 9 HG12 ILE 9 -20.742 -0.048 -7.928 65 1HG2 ILE 9 HG21 ILE 9 -18.455 -2.679 -7.264 66 2HG2 ILE 9 HG22 ILE 9 -19.213 -1.373 -6.370 67 3HG2 ILE 9 HG23 ILE 9 -18.567 -1.079 -7.980 68 1HD1 ILE 9 HD1 ILE 9 -22.909 -1.058 -7.450 69 2HD1 ILE 9 HD2 ILE 9 -22.882 -1.923 -8.984 70 3HD1 ILE 9 HD3 ILE 9 -23.024 -0.167 -8.965 71 NH1 ARG 10 NH2 ARG 10 -17.020 -4.643 -17.228 72 NH2 ARG 10 NH1 ARG 10 -19.106 -3.790 -17.609 73 H ARG 10 HN ARG 10 -19.916 -1.829 -11.194 74 HA ARG 10 HA ARG 10 -16.959 -2.259 -11.240 75 1HB ARG 10 HB1 ARG 10 -18.792 -1.606 -13.592 76 2HB ARG 10 HB2 ARG 10 -18.413 -3.253 -13.120 77 1HG ARG 10 HG1 ARG 10 -15.895 -2.259 -13.255 78 2HG ARG 10 HG2 ARG 10 -16.677 -1.204 -14.422 79 1HD ARG 10 HD1 ARG 10 -16.640 -4.240 -14.453 80 2HD ARG 10 HD2 ARG 10 -15.864 -3.160 -15.610 81 HE ARG 10 HE ARG 10 -18.737 -2.722 -15.437 82 1HH1 ARG 10 HH21 ARG 10 -16.214 -4.702 -16.640 83 2HH1 ARG 10 HH22 ARG 10 -17.051 -5.155 -18.087 84 1HH2 ARG 10 HH11 ARG 10 -19.862 -3.210 -17.307 85 2HH2 ARG 10 HH12 ARG 10 -19.172 -4.287 -18.474 86 H ABA 11 HN ABU 11 -15.877 -0.490 -10.717 87 HA ABA 11 HA ABU 11 -16.894 2.147 -11.707 88 1HB ABA 11 HB1 ABU 11 -15.955 3.081 -9.524 89 2HB ABA 11 HB2 ABU 11 -15.777 1.434 -8.968 90 1HG ABA 11 HG1 ABU 11 -17.905 2.266 -8.150 91 2HG ABA 11 HG2 ABU 11 -18.234 1.087 -9.414 92 3HG ABA 11 HG3 ABU 11 -18.358 2.808 -9.762 93 H LYS 12 HN LYS 12 -15.454 2.685 -13.208 94 HA LYS 12 HA LYS 12 -12.742 1.836 -13.261 95 1HB LYS 12 HB1 LYS 12 -12.590 3.842 -14.948 96 2HB LYS 12 HB2 LYS 12 -14.322 3.999 -14.675 97 1HG LYS 12 HG1 LYS 12 -14.306 1.386 -15.124 98 2HG LYS 12 HG2 LYS 12 -12.802 1.753 -15.961 99 1HD LYS 12 HD1 LYS 12 -15.490 3.071 -16.488 100 2HD LYS 12 HD2 LYS 12 -14.713 1.875 -17.521 101 1HE LYS 12 HE1 LYS 12 -13.766 4.683 -16.902 102 2HE LYS 12 HE2 LYS 12 -14.180 4.009 -18.473 103 1HZ LYS 12 HZ1 LYS 12 -11.736 3.780 -16.950 104 2HZ LYS 12 HZ2 LYS 12 -11.987 3.711 -18.629 105 3HZ LYS 12 HZ3 LYS 12 -12.262 2.335 -17.670 106 H LYS 13 HN LYS 13 -13.913 3.675 -10.924 107 HA LYS 13 HA LYS 13 -11.364 5.175 -10.698 108 1HB LYS 13 HB1 LYS 13 -12.890 7.078 -9.687 109 2HB LYS 13 HB2 LYS 13 -14.180 6.268 -10.573 110 1HG LYS 13 HG1 LYS 13 -12.646 6.389 -12.626 111 2HG LYS 13 HG2 LYS 13 -11.646 7.496 -11.693 112 1HD LYS 13 HD1 LYS 13 -14.587 7.866 -12.357 113 2HD LYS 13 HD2 LYS 13 -13.245 8.774 -13.046 114 1HE LYS 13 HE1 LYS 13 -14.328 8.857 -10.233 115 2HE LYS 13 HE2 LYS 13 -14.016 10.195 -11.331 116 1HZ LYS 13 HZ1 LYS 13 -11.576 9.230 -11.108 117 2HZ LYS 13 HZ2 LYS 13 -12.184 8.747 -9.597 118 3HZ LYS 13 HZ3 LYS 13 -12.204 10.388 -10.037 119 HA PRO 14 HA PRO 14 -11.380 3.682 -6.526 120 1HB PRO 14 HB1 PRO 14 -9.356 4.569 -5.867 121 2HB PRO 14 HB2 PRO 14 -10.212 6.005 -5.309 122 1HG PRO 14 HG1 PRO 14 -8.388 5.893 -7.477 123 2HG PRO 14 HG2 PRO 14 -9.473 7.235 -7.106 124 1HD PRO 14 HD1 PRO 14 -10.567 6.768 -9.068 125 2HD PRO 14 HD2 PRO 14 -9.652 5.258 -9.256 126 H SER 15 HN SER 15 -11.705 7.208 -6.126 127 HA SER 15 HA SER 15 -13.298 7.453 -3.952 128 1HB SER 15 HB1 SER 15 -12.752 9.432 -5.307 129 2HB SER 15 HB2 SER 15 -14.523 9.357 -5.229 130 HG SER 15 HG1 SER 15 -13.041 8.005 -7.219 131 H MET 16 HN MET 16 -14.498 6.417 -7.119 132 HA MET 16 HA MET 16 -17.254 6.269 -6.289 133 1HB MET 16 HB1 MET 16 -17.283 4.624 -8.360 134 2HB MET 16 HB2 MET 16 -15.609 5.131 -8.566 135 1HG MET 16 HG1 MET 16 -18.116 6.726 -8.815 136 2HG MET 16 HG2 MET 16 -16.725 6.688 -9.865 137 1HE MET 16 HE1 MET 16 -18.538 9.447 -8.136 138 2HE MET 16 HE2 MET 16 -18.084 8.903 -9.751 139 3HE MET 16 HE3 MET 16 -17.294 10.310 -9.040 140 H LEU 17 HN LEU 17 -14.826 3.700 -6.864 141 HA LEU 17 HA LEU 17 -16.437 1.638 -5.694 142 1HB LEU 17 HB1 LEU 17 -13.389 1.686 -5.708 143 2HB LEU 17 HB2 LEU 17 -14.284 1.477 -7.191 144 HG LEU 17 HG LEU 17 -13.535 -0.696 -6.144 145 1HD1 LEU 17 HD11 LEU 17 -13.944 0.158 -3.779 146 2HD1 LEU 17 HD12 LEU 17 -14.469 -1.485 -4.116 147 3HD1 LEU 17 HD13 LEU 17 -15.648 -0.185 -4.052 148 1HD2 LEU 17 HD21 LEU 17 -16.559 -0.615 -6.109 149 2HD2 LEU 17 HD22 LEU 17 -15.496 -1.897 -6.666 150 3HD2 LEU 17 HD23 LEU 17 -15.662 -0.424 -7.604 151 H LYS 18 HN LYS 18 -13.573 3.322 -4.483 152 HA LYS 18 HA LYS 18 -13.222 2.528 -1.944 153 1HB LYS 18 HB1 LYS 18 -13.561 5.432 -2.832 154 2HB LYS 18 HB2 LYS 18 -12.079 4.495 -2.941 155 1HG LYS 18 HG1 LYS 18 -12.169 4.225 -0.428 156 2HG LYS 18 HG2 LYS 18 -13.518 5.354 -0.409 157 1HD LYS 18 HD1 LYS 18 -12.175 7.143 -1.231 158 2HD LYS 18 HD2 LYS 18 -10.880 6.055 -1.717 159 1HE LYS 18 HE1 LYS 18 -11.563 5.854 1.137 160 2HE LYS 18 HE2 LYS 18 -10.964 7.440 0.670 161 1HZ LYS 18 HZ1 LYS 18 -9.306 5.617 1.342 162 2HZ LYS 18 HZ2 LYS 18 -8.958 6.588 -0.006 163 3HZ LYS 18 HZ3 LYS 18 -9.562 5.016 -0.225 164 H LYS 19 HN LYS 19 -15.841 4.753 -2.875 165 HA LYS 19 HA LYS 19 -16.932 4.810 -0.212 166 1HB LYS 19 HB1 LYS 19 -18.542 5.402 -2.710 167 2HB LYS 19 HB2 LYS 19 -17.244 6.493 -2.236 168 1HG LYS 19 HG1 LYS 19 -18.355 7.215 -0.349 169 2HG LYS 19 HG2 LYS 19 -19.142 5.662 -0.092 170 1HD LYS 19 HD1 LYS 19 -20.674 6.098 -1.961 171 2HD LYS 19 HD2 LYS 19 -19.855 7.618 -2.302 172 1HE LYS 19 HE1 LYS 19 -20.719 8.667 -0.414 173 2HE LYS 19 HE2 LYS 19 -20.892 7.156 0.472 174 1HZ LYS 19 HZ1 LYS 19 -22.621 8.225 -1.672 175 2HZ LYS 19 HZ2 LYS 19 -23.046 7.808 -0.081 176 3HZ LYS 19 HZ3 LYS 19 -22.671 6.593 -1.206 177 H HIS 20 HN HIS 20 -17.710 3.089 -3.198 178 HA HIS 20 HA HIS 20 -20.083 1.825 -2.346 179 1HB HIS 20 HB1 HIS 20 -17.848 0.743 -4.120 180 2HB HIS 20 HB2 HIS 20 -19.250 1.649 -4.687 181 HD1 HIS 20 HD1 HIS 20 -21.181 0.154 -5.227 182 HD2 HIS 20 HD2 HIS 20 -18.537 -1.758 -2.795 183 HE1 HIS 20 HE1 HIS 20 -22.063 -2.115 -4.961 184 H ILE 21 HN ILE 21 -16.732 0.641 -2.172 185 HA ILE 21 HA ILE 21 -17.399 -1.729 -0.761 186 HB ILE 21 HB ILE 21 -15.215 -1.432 -1.865 187 1HG1 ILE 21 HG11 ILE 21 -15.549 -2.404 0.821 188 2HG1 ILE 21 HG12 ILE 21 -13.961 -1.669 0.686 189 1HG2 ILE 21 HG21 ILE 21 -13.518 0.091 -0.781 190 2HG2 ILE 21 HG22 ILE 21 -14.764 0.666 0.318 191 3HG2 ILE 21 HG23 ILE 21 -14.902 0.971 -1.408 192 1HD1 ILE 21 HD1 ILE 21 -13.907 -4.053 0.027 193 2HD1 ILE 21 HD2 ILE 21 -13.524 -3.016 -1.344 194 3HD1 ILE 21 HD3 ILE 21 -15.123 -3.740 -1.208 195 NH1 ARG 22 NH2 ARG 22 -13.637 6.906 2.121 196 NH2 ARG 22 NH1 ARG 22 -12.670 6.509 4.154 197 H ARG 22 HN ARG 22 -16.846 1.550 0.347 198 HA ARG 22 HA ARG 22 -16.620 0.847 3.150 199 1HB ARG 22 HB1 ARG 22 -17.418 3.353 3.372 200 2HB ARG 22 HB2 ARG 22 -17.295 3.389 1.618 201 1HG ARG 22 HG1 ARG 22 -14.924 2.492 1.877 202 2HG ARG 22 HG2 ARG 22 -15.087 2.789 3.604 203 1HD ARG 22 HD1 ARG 22 -15.856 5.195 2.818 204 2HD ARG 22 HD2 ARG 22 -14.983 4.773 1.346 205 HE ARG 22 HE ARG 22 -13.262 4.161 3.495 206 1HH1 ARG 22 HH21 ARG 22 -14.168 6.567 1.345 207 2HH1 ARG 22 HH22 ARG 22 -13.318 7.854 2.134 208 1HH2 ARG 22 HH11 ARG 22 -12.476 5.873 4.900 209 2HH2 ARG 22 HH12 ARG 22 -12.335 7.451 4.199 210 H THR 23 HN THR 23 -19.270 0.975 0.970 211 HA THR 23 HA THR 23 -21.251 1.489 3.046 212 HB THR 23 HB THR 23 -21.884 0.115 0.392 213 HG1 THR 23 HG1 THR 23 -20.807 1.747 -0.432 214 1HG2 THR 23 HG21 THR 23 -23.572 0.994 2.319 215 2HG2 THR 23 HG22 THR 23 -23.941 1.328 0.629 216 3HG2 THR 23 HG23 THR 23 -23.189 2.570 1.629 217 H HIS 24 HN HIS 24 -19.373 -1.193 2.304 218 HA HIS 24 HA HIS 24 -21.442 -3.151 3.126 219 1HB HIS 24 HB1 HIS 24 -19.344 -4.736 2.931 220 2HB HIS 24 HB2 HIS 24 -18.547 -3.351 2.194 221 HD1 HIS 24 HD1 HIS 24 -21.882 -5.028 1.625 222 HD2 HIS 24 HD2 HIS 24 -18.778 -3.475 -0.502 223 HE1 HIS 24 HE1 HIS 24 -22.487 -5.319 -0.758 224 H THR 25 HN THR 25 -19.671 -0.981 4.746 225 HA THR 25 HA THR 25 -18.663 -2.778 6.859 226 HB THR 25 HB THR 25 -18.242 -0.356 7.922 227 HG1 THR 25 HG1 THR 25 -18.135 0.830 5.648 228 1HG2 THR 25 HG21 THR 25 -16.341 0.057 6.268 229 2HG2 THR 25 HG22 THR 25 -17.000 -1.228 5.261 230 3HG2 THR 25 HG23 THR 25 -16.356 -1.602 6.856 231 H ASP 26 HN ASP 26 -20.082 0.198 7.771 232 HA ASP 26 HA ASP 26 -22.603 -0.999 8.640 233 1HB ASP 26 HB1 ASP 26 -22.138 -0.396 11.070 234 2HB ASP 26 HB2 ASP 26 -20.468 -0.058 10.621 235 H VAL 27 HN VAL 27 -21.596 1.142 6.983 236 HA VAL 27 HA VAL 27 -22.452 3.569 8.437 237 HB VAL 27 HB VAL 27 -20.423 3.723 7.098 238 1HG1 VAL 27 HG11 VAL 27 -22.140 2.501 4.942 239 2HG1 VAL 27 HG12 VAL 27 -20.642 1.873 5.626 240 3HG1 VAL 27 HG13 VAL 27 -20.609 3.292 4.583 241 1HG2 VAL 27 HG21 VAL 27 -22.544 5.453 6.773 242 2HG2 VAL 27 HG22 VAL 27 -22.144 5.046 5.106 243 3HG2 VAL 27 HG23 VAL 27 -20.917 5.738 6.162 244 NH1 ARG 28 NH1 ARG 28 -24.891 -1.739 8.346 245 NH2 ARG 28 NH2 ARG 28 -25.462 -3.259 6.738 246 H ARG 28 HN ARG 28 -24.506 1.818 8.115 247 HA ARG 28 HA ARG 28 -26.210 3.053 5.982 248 1HB ARG 28 HB1 ARG 28 -27.539 0.838 6.307 249 2HB ARG 28 HB2 ARG 28 -26.137 0.264 7.202 250 1HG ARG 28 HG1 ARG 28 -24.835 1.138 5.051 251 2HG ARG 28 HG2 ARG 28 -26.395 0.885 4.283 252 1HD ARG 28 HD1 ARG 28 -25.049 -1.165 4.116 253 2HD ARG 28 HD2 ARG 28 -26.428 -1.446 5.176 254 HE ARG 28 HE ARG 28 -23.671 -0.898 6.204 255 1HH1 ARG 28 HH11 ARG 28 -24.517 -0.843 8.582 256 2HH1 ARG 28 HH12 ARG 28 -25.196 -2.360 9.068 257 1HH2 ARG 28 HH21 ARG 28 -25.516 -3.502 5.769 258 2HH2 ARG 28 HH22 ARG 28 -25.778 -3.905 7.433 259 HA PRO 29 HA PRO 29 -27.869 4.261 10.169 260 1HB PRO 29 HB1 PRO 29 -27.737 6.547 10.100 261 2HB PRO 29 HB2 PRO 29 -28.988 6.613 8.857 262 1HG PRO 29 HG1 PRO 29 -26.103 6.939 8.538 263 2HG PRO 29 HG2 PRO 29 -27.368 7.168 7.330 264 1HD PRO 29 HD1 PRO 29 -26.888 5.162 6.370 265 2HD PRO 29 HD2 PRO 29 -25.503 5.012 7.463 266 OH TYR 30 OH TYR 30 -31.177 9.035 4.567 267 H TYR 30 HN TYR 30 -29.303 3.691 7.094 268 HA TYR 30 HA TYR 30 -32.045 4.043 8.139 269 1HB TYR 30 HB1 TYR 30 -32.704 3.236 5.837 270 2HB TYR 30 HB2 TYR 30 -31.007 2.970 5.470 271 HD1 TYR 30 HD1 TYR 30 -33.254 5.671 6.768 272 HD2 TYR 30 HD2 TYR 30 -29.822 4.717 4.442 273 HE1 TYR 30 HE1 TYR 30 -33.031 8.026 6.132 274 HE2 TYR 30 HE2 TYR 30 -29.598 7.075 3.809 275 HH TYR 30 HH TYR 30 -32.028 9.335 4.241 276 H HIS 31 HN HIS 31 -31.987 2.480 9.832 277 HA HIS 31 HA HIS 31 -31.747 -0.362 8.975 278 1HB HIS 31 HB1 HIS 31 -31.539 -0.871 11.331 279 2HB HIS 31 HB2 HIS 31 -32.204 0.691 11.798 280 HD1 HIS 31 HD1 HIS 31 -29.102 -0.810 10.594 281 HD2 HIS 31 HD2 HIS 31 -30.418 2.870 11.677 282 HE1 HIS 31 HE1 HIS 31 -27.095 0.540 10.774 283 H CYS 32 HN CYS 32 -33.457 -1.759 8.971 284 HA CYS 32 HA CYS 32 -36.098 -0.744 8.779 285 1HB CYS 32 HB1 CYS 32 -34.931 -3.491 9.294 286 2HB CYS 32 HB2 CYS 32 -35.701 -2.903 7.846 287 H THR 33 HN THR 33 -37.866 -0.865 10.216 288 HA THR 33 HA THR 33 -37.098 -0.417 12.999 289 HB THR 33 HB THR 33 -39.956 -0.661 11.909 290 HG1 THR 33 HG1 THR 33 -39.529 1.082 10.812 291 1HG2 THR 33 HG21 THR 33 -39.616 -0.239 14.402 292 2HG2 THR 33 HG22 THR 33 -40.326 1.158 13.599 293 3HG2 THR 33 HG23 THR 33 -38.611 1.149 13.996 294 OH TYR 34 OH TYR 34 -43.672 -2.032 12.545 295 H TYR 34 HN TYR 34 -37.078 -3.147 11.499 296 HA TYR 34 HA TYR 34 -38.094 -4.651 13.844 297 1HB TYR 34 HB1 TYR 34 -39.259 -6.276 12.361 298 2HB TYR 34 HB2 TYR 34 -38.777 -5.351 10.944 299 HD1 TYR 34 HD2 TYR 34 -39.802 -3.153 10.486 300 HD2 TYR 34 HD1 TYR 34 -41.022 -5.465 13.840 301 HE1 TYR 34 HE2 TYR 34 -41.802 -1.756 10.722 302 HE2 TYR 34 HE1 TYR 34 -43.023 -4.067 14.073 303 HH TYR 34 HH TYR 34 -44.401 -2.486 12.116 304 H CYS 35 HN CYS 35 -36.887 -5.449 10.598 305 HA CYS 35 HA CYS 35 -35.270 -7.626 11.464 306 1HB CYS 35 HB1 CYS 35 -34.218 -7.456 9.264 307 2HB CYS 35 HB2 CYS 35 -34.746 -5.809 9.088 308 H ASN 36 HN ASN 36 -32.813 -7.259 10.387 309 HA ASN 36 HA ASN 36 -31.583 -5.160 12.130 310 1HB ASN 36 HB1 ASN 36 -30.526 -7.943 11.403 311 2HB ASN 36 HB2 ASN 36 -31.171 -7.484 12.977 312 1HD2 ASN 36 HD21 ASN 36 -28.481 -8.424 12.657 313 2HD2 ASN 36 HD22 ASN 36 -27.423 -7.144 13.014 314 H PHE 37 HN PHE 37 -32.290 -5.846 9.084 315 HA PHE 37 HA PHE 37 -29.667 -5.347 7.860 316 1HB PHE 37 HB1 PHE 37 -32.294 -5.169 6.369 317 2HB PHE 37 HB2 PHE 37 -31.752 -6.747 6.943 318 HD1 PHE 37 HD2 PHE 37 -29.305 -7.426 6.336 319 HD2 PHE 37 HD1 PHE 37 -31.422 -4.302 4.366 320 HE1 PHE 37 HE2 PHE 37 -27.761 -7.577 4.431 321 HE2 PHE 37 HE1 PHE 37 -29.877 -4.456 2.464 322 HZ PHE 37 HZ PHE 37 -28.046 -6.092 2.496 323 H SER 38 HN SER 38 -29.180 -3.502 6.605 324 HA SER 38 HA SER 38 -30.998 -1.192 6.942 325 1HB SER 38 HB1 SER 38 -28.023 -1.038 7.619 326 2HB SER 38 HB2 SER 38 -29.287 -1.229 8.847 327 HG SER 38 HG1 SER 38 -29.272 0.904 8.635 328 H PHE 39 HN PHE 39 -30.413 0.636 5.621 329 HA PHE 39 HA PHE 39 -28.819 -0.158 3.221 330 1HB PHE 39 HB1 PHE 39 -30.531 0.779 1.833 331 2HB PHE 39 HB2 PHE 39 -31.242 1.673 3.178 332 HD1 PHE 39 HD2 PHE 39 -32.390 0.380 5.032 333 HD2 PHE 39 HD1 PHE 39 -31.190 -1.498 1.403 334 HE1 PHE 39 HE2 PHE 39 -33.804 -1.554 5.565 335 HE2 PHE 39 HE1 PHE 39 -32.630 -3.419 1.929 336 HZ PHE 39 HZ PHE 39 -33.934 -3.449 4.013 337 H LYS 40 HN LYS 40 -28.003 1.677 1.984 338 HA LYS 40 HA LYS 40 -26.968 3.737 3.813 339 1HB LYS 40 HB1 LYS 40 -26.434 3.033 0.895 340 2HB LYS 40 HB2 LYS 40 -25.428 2.627 2.263 341 1HG LYS 40 HG1 LYS 40 -25.964 5.425 1.200 342 2HG LYS 40 HG2 LYS 40 -24.452 4.540 1.097 343 1HD LYS 40 HD1 LYS 40 -24.713 4.390 3.718 344 2HD LYS 40 HD2 LYS 40 -25.728 5.803 3.494 345 1HE LYS 40 HE1 LYS 40 -23.463 6.577 3.868 346 2HE LYS 40 HE2 LYS 40 -23.850 6.849 2.173 347 1HZ LYS 40 HZ1 LYS 40 -21.724 5.429 3.190 348 2HZ LYS 40 HZ2 LYS 40 -22.207 5.529 1.566 349 3HZ LYS 40 HZ3 LYS 40 -22.771 4.260 2.542 350 H THR 41 HN THR 41 -29.491 3.403 1.549 351 HA THR 41 HA THR 41 -29.858 6.374 1.555 352 HB THR 41 HB THR 41 -30.555 6.290 -0.778 353 HG1 THR 41 HG1 THR 41 -31.644 4.555 -1.255 354 1HG2 THR 41 HG21 THR 41 -28.482 4.036 -0.649 355 2HG2 THR 41 HG22 THR 41 -28.009 5.702 -0.332 356 3HG2 THR 41 HG23 THR 41 -28.657 5.256 -1.907 357 H LYS 42 HN LYS 42 -32.019 7.099 1.422 358 HA LYS 42 HA LYS 42 -33.822 5.516 3.002 359 1HB LYS 42 HB1 LYS 42 -34.582 7.970 1.378 360 2HB LYS 42 HB2 LYS 42 -33.609 8.117 2.838 361 1HG LYS 42 HG1 LYS 42 -35.355 7.082 4.175 362 2HG LYS 42 HG2 LYS 42 -36.298 6.711 2.736 363 1HD LYS 42 HD1 LYS 42 -36.900 8.946 2.394 364 2HD LYS 42 HD2 LYS 42 -35.508 9.561 3.277 365 1HE LYS 42 HE1 LYS 42 -36.476 8.796 5.396 366 2HE LYS 42 HE2 LYS 42 -37.831 8.071 4.542 367 1HZ LYS 42 HZ1 LYS 42 -38.865 10.006 4.483 368 2HZ LYS 42 HZ2 LYS 42 -37.516 10.795 3.818 369 3HZ LYS 42 HZ3 LYS 42 -37.664 10.637 5.503 370 H GLY 43 HN GLY 43 -33.197 5.790 -0.337 371 1HA GLY 43 HA1 GLY 43 -34.280 4.885 -2.216 372 2HA GLY 43 HA2 GLY 43 -35.800 5.165 -1.372 373 H ASN 44 HN ASN 44 -32.994 2.981 -1.296 374 HA ASN 44 HA ASN 44 -34.351 0.596 -1.697 375 1HB ASN 44 HB1 ASN 44 -32.446 -0.409 -0.240 376 2HB ASN 44 HB2 ASN 44 -31.908 1.251 0.002 377 1HD2 ASN 44 HD21 ASN 44 -32.790 2.072 -2.744 378 2HD2 ASN 44 HD22 ASN 44 -31.642 1.412 -3.807 379 H LEU 45 HN LEU 45 -34.044 2.442 1.274 380 HA LEU 45 HA LEU 45 -35.020 0.454 3.059 381 1HB LEU 45 HB1 LEU 45 -35.255 3.513 3.098 382 2HB LEU 45 HB2 LEU 45 -33.998 2.561 3.858 383 HG LEU 45 HG LEU 45 -35.464 3.141 5.641 384 1HD1 LEU 45 HD11 LEU 45 -37.703 3.520 5.465 385 2HD1 LEU 45 HD12 LEU 45 -37.995 2.036 4.573 386 3HD1 LEU 45 HD13 LEU 45 -37.432 3.469 3.731 387 1HD2 LEU 45 HD21 LEU 45 -36.463 0.388 4.852 388 2HD2 LEU 45 HD22 LEU 45 -36.198 1.027 6.468 389 3HD2 LEU 45 HD23 LEU 45 -34.826 0.675 5.424 390 H THR 46 HN THR 46 -36.724 3.021 1.285 391 HA THR 46 HA THR 46 -39.337 2.411 2.187 392 HB THR 46 HB THR 46 -38.460 3.421 -0.590 393 HG1 THR 46 HG1 THR 46 -38.623 4.426 1.993 394 1HG2 THR 46 HG21 THR 46 -40.734 3.705 -0.962 395 2HG2 THR 46 HG22 THR 46 -40.860 4.612 0.542 396 3HG2 THR 46 HG23 THR 46 -41.071 2.864 0.548 397 H LYS 47 HN LYS 47 -37.365 0.956 -0.329 398 HA LYS 47 HA LYS 47 -39.419 -0.583 -1.577 399 1HB LYS 47 HB1 LYS 47 -37.062 -2.130 -1.682 400 2HB LYS 47 HB2 LYS 47 -36.478 -0.478 -1.543 401 1HG LYS 47 HG1 LYS 47 -38.139 0.114 -3.406 402 2HG LYS 47 HG2 LYS 47 -38.323 -1.620 -3.652 403 1HD LYS 47 HD1 LYS 47 -35.725 -0.054 -3.803 404 2HD LYS 47 HD2 LYS 47 -36.598 -0.745 -5.165 405 1HE LYS 47 HE1 LYS 47 -36.379 -2.994 -3.835 406 2HE LYS 47 HE2 LYS 47 -35.087 -2.162 -2.979 407 1HZ LYS 47 HZ1 LYS 47 -33.799 -2.038 -4.837 408 2HZ LYS 47 HZ2 LYS 47 -35.117 -2.094 -5.909 409 3HZ LYS 47 HZ3 LYS 47 -34.596 -3.509 -5.126 410 H HIS 48 HN HIS 48 -37.277 -1.300 1.161 411 HA HIS 48 HA HIS 48 -38.243 -3.992 1.517 412 1HB HIS 48 HB1 HIS 48 -36.928 -2.029 3.468 413 2HB HIS 48 HB2 HIS 48 -36.107 -3.269 2.527 414 HD1 HIS 48 HD1 HIS 48 -37.537 -5.711 3.088 415 HD2 HIS 48 HD2 HIS 48 -37.190 -2.924 6.057 416 HE1 HIS 48 HE1 HIS 48 -37.875 -6.942 5.175 417 H MET 49 HN MET 49 -39.410 -0.870 2.462 418 HA MET 49 HA MET 49 -41.279 -1.987 4.443 419 1HB MET 49 HB1 MET 49 -42.124 0.493 4.340 420 2HB MET 49 HB2 MET 49 -40.722 0.785 3.316 421 1HG MET 49 HG1 MET 49 -40.109 1.277 5.591 422 2HG MET 49 HG2 MET 49 -39.266 -0.160 5.079 423 1HE MET 49 HE1 MET 49 -39.523 -0.486 8.843 424 2HE MET 49 HE2 MET 49 -38.836 0.519 7.567 425 3HE MET 49 HE3 MET 49 -38.597 -1.228 7.538 426 H LYS 50 HN LYS 50 -41.301 -0.888 1.120 427 HA LYS 50 HA LYS 50 -44.062 -0.572 0.691 428 1HB LYS 50 HB1 LYS 50 -41.950 -1.820 -1.139 429 2HB LYS 50 HB2 LYS 50 -42.358 -0.111 -1.053 430 1HG LYS 50 HG1 LYS 50 -44.747 -0.780 -1.670 431 2HG LYS 50 HG2 LYS 50 -44.109 -2.379 -2.034 432 1HD LYS 50 HD1 LYS 50 -43.769 -1.495 -4.115 433 2HD LYS 50 HD2 LYS 50 -42.324 -0.813 -3.378 434 1HE LYS 50 HE1 LYS 50 -43.389 1.057 -4.370 435 2HE LYS 50 HE2 LYS 50 -43.851 1.159 -2.676 436 1HZ LYS 50 HZ1 LYS 50 -45.755 -0.436 -3.796 437 2HZ LYS 50 HZ2 LYS 50 -45.482 0.753 -4.978 438 3HZ LYS 50 HZ3 LYS 50 -45.926 1.208 -3.404 439 H SER 51 HN SER 51 -42.223 -3.540 -0.051 440 HA SER 51 HA SER 51 -44.332 -5.253 -0.570 441 1HB SER 51 HB1 SER 51 -42.013 -6.104 1.228 442 2HB SER 51 HB2 SER 51 -41.779 -5.779 -0.500 443 HG SER 51 HG1 SER 51 -43.742 -7.171 -0.731 444 H LYS 52 HN LYS 52 -45.282 -6.961 0.819 445 HA LYS 52 HA LYS 52 -46.511 -5.726 3.144 446 1HB LYS 52 HB1 LYS 52 -46.730 -8.684 2.731 447 2HB LYS 52 HB2 LYS 52 -47.288 -7.683 1.394 448 1HG LYS 52 HG1 LYS 52 -48.757 -6.431 2.927 449 2HG LYS 52 HG2 LYS 52 -48.180 -7.393 4.283 450 1HD LYS 52 HD1 LYS 52 -49.046 -9.443 3.198 451 2HD LYS 52 HD2 LYS 52 -49.621 -8.481 1.840 452 1HE LYS 52 HE1 LYS 52 -50.872 -7.100 3.691 453 2HE LYS 52 HE2 LYS 52 -50.627 -8.535 4.678 454 1HZ LYS 52 HZ1 LYS 52 -51.537 -9.477 2.274 455 2HZ LYS 52 HZ2 LYS 52 -52.477 -8.094 2.568 456 3HZ LYS 52 HZ3 LYS 52 -52.428 -9.345 3.714 457 H ALA 53 HN ALA 53 -43.681 -5.960 3.393 458 HA ALA 53 HA ALA 53 -42.781 -8.169 4.892 459 1HB ALA 53 HB1 ALA 53 -42.072 -5.205 5.145 460 2HB ALA 53 HB2 ALA 53 -41.253 -6.388 4.130 461 3HB ALA 53 HB3 ALA 53 -41.140 -6.504 5.883 462 H HIS 54 HN HIS 54 -42.586 -5.433 6.893 463 HA HIS 54 HA HIS 54 -44.892 -6.227 8.538 464 1HB HIS 54 HB1 HIS 54 -43.428 -7.674 9.624 465 2HB HIS 54 HB2 HIS 54 -43.051 -6.207 10.516 466 HD1 HIS 54 HD1 HIS 54 -41.379 -8.739 8.805 467 HD2 HIS 54 HD2 HIS 54 -40.778 -4.701 9.017 468 HE1 HIS 54 HE1 HIS 54 -39.045 -8.390 8.158 469 H SER 55 HN SER 55 -45.633 -4.133 8.134 470 HA SER 55 HA SER 55 -44.151 -2.002 9.635 471 1HB SER 55 HB1 SER 55 -45.345 -0.430 7.914 472 2HB SER 55 HB2 SER 55 -45.632 -1.903 6.967 473 HG SER 55 HG1 SER 55 -43.116 -1.742 8.029 474 H LYS 56 HN LYS 56 -46.444 -3.924 10.240 475 HA LYS 56 HA LYS 56 -48.161 -1.840 11.467 476 1HB LYS 56 HB1 LYS 56 -50.182 -3.326 10.766 477 2HB LYS 56 HB2 LYS 56 -49.083 -4.084 9.619 478 1HG LYS 56 HG1 LYS 56 -48.620 -1.898 8.588 479 2HG LYS 56 HG2 LYS 56 -49.662 -1.105 9.766 480 1HD LYS 56 HD1 LYS 56 -51.614 -2.262 8.923 481 2HD LYS 56 HD2 LYS 56 -50.623 -3.294 7.898 482 1HE LYS 56 HE1 LYS 56 -51.552 -1.546 6.501 483 2HE LYS 56 HE2 LYS 56 -49.836 -1.214 6.700 484 1HZ LYS 56 HZ1 LYS 56 -51.499 -0.030 8.727 485 2HZ LYS 56 HZ2 LYS 56 -51.815 0.546 7.161 486 3HZ LYS 56 HZ3 LYS 56 -50.248 0.657 7.806 487 H LYS 57 HN LYS 57 -49.123 -5.172 11.217 488 HA LYS 57 HA LYS 57 -49.435 -5.542 13.980 489 1HB LYS 57 HB1 LYS 57 -48.793 -7.621 11.835 490 2HB LYS 57 HB2 LYS 57 -50.405 -7.052 12.251 491 1HG LYS 57 HG1 LYS 57 -50.486 -8.715 13.784 492 2HG LYS 57 HG2 LYS 57 -49.282 -7.818 14.703 493 1HD LYS 57 HD1 LYS 57 -47.475 -8.967 13.461 494 2HD LYS 57 HD2 LYS 57 -48.676 -9.857 12.532 495 1HE LYS 57 HE1 LYS 57 -48.830 -9.966 15.524 496 2HE LYS 57 HE2 LYS 57 -47.588 -10.915 14.718 497 1HZ LYS 57 HZ1 LYS 57 -49.902 -11.331 13.285 498 2HZ LYS 57 HZ2 LYS 57 -50.366 -11.410 14.917 499 3HZ LYS 57 LYS 57 -49.133 -12.423 14.334 Start of MODEL 26 Raw file had 499 H/Q atoms Start of MODEL 26 1 1H LYS 1 HT1 LYS 1 -8.143 -4.333 -9.216 2 2H LYS 1 HT2 LYS 1 -7.849 -2.702 -9.584 3 3H LYS 1 HT3 LYS 1 -7.354 -3.919 -10.662 4 HA LYS 1 HA LYS 1 -9.322 -2.826 -11.484 5 1HB LYS 1 HB1 LYS 1 -10.811 -4.918 -11.557 6 2HB LYS 1 HB2 LYS 1 -9.686 -5.674 -10.434 7 1HG LYS 1 HG1 LYS 1 -8.727 -6.367 -12.422 8 2HG LYS 1 HG2 LYS 1 -7.902 -4.822 -12.247 9 1HD LYS 1 HD1 LYS 1 -9.943 -3.841 -13.539 10 2HD LYS 1 HD2 LYS 1 -10.254 -5.508 -14.009 11 1HE LYS 1 HE1 LYS 1 -8.826 -4.967 -15.728 12 2HE LYS 1 HE2 LYS 1 -7.605 -5.395 -14.535 13 1HZ LYS 1 HZ1 LYS 1 -7.567 -3.110 -15.800 14 2HZ LYS 1 HZ2 LYS 1 -7.042 -3.247 -14.191 15 3HZ LYS 1 HZ3 LYS 1 -8.595 -2.650 -14.529 16 OH TYR 2 OH TYR 2 -7.761 2.727 -9.106 17 H TYR 2 HN TYR 2 -11.189 -1.809 -11.046 18 HA TYR 2 HA TYR 2 -12.057 -1.780 -8.212 19 1HB TYR 2 HB1 TYR 2 -13.343 0.213 -8.886 20 2HB TYR 2 HB2 TYR 2 -12.996 -0.099 -10.586 21 HD1 TYR 2 HD2 TYR 2 -11.423 0.744 -7.330 22 HD2 TYR 2 HD1 TYR 2 -10.920 0.594 -11.547 23 HE1 TYR 2 HE2 TYR 2 -9.336 2.017 -7.126 24 HE2 TYR 2 HE1 TYR 2 -8.826 1.853 -11.345 25 HH TYR 2 HH TYR 2 -7.924 3.481 -8.534 26 H ILE 3 HN ILE 3 -12.995 -3.926 -8.340 27 HA ILE 3 HA ILE 3 -15.796 -3.769 -9.292 28 HB ILE 3 HB ILE 3 -14.053 -6.223 -9.776 29 1HG1 ILE 3 HG11 ILE 3 -13.100 -4.405 -11.090 30 2HG1 ILE 3 HG12 ILE 3 -14.696 -3.932 -11.665 31 1HG2 ILE 3 HG21 ILE 3 -16.560 -5.365 -11.268 32 2HG2 ILE 3 HG22 ILE 3 -16.702 -6.172 -9.710 33 3HG2 ILE 3 HG23 ILE 3 -15.917 -6.991 -11.056 34 1HD1 ILE 3 HD1 ILE 3 -14.917 -5.847 -13.014 35 2HD1 ILE 3 HD2 ILE 3 -13.710 -6.747 -12.099 36 3HD1 ILE 3 HD3 ILE 3 -13.208 -5.460 -13.190 37 H CYS 4 HN CYS 4 -16.843 -3.969 -7.366 38 HA CYS 4 HA CYS 4 -15.775 -5.353 -5.132 39 1HB CYS 4 HB1 CYS 4 -18.651 -4.748 -5.868 40 2HB CYS 4 HB2 CYS 4 -17.621 -3.787 -4.848 41 H GLU 5 HN GLU 5 -15.162 -7.376 -5.284 42 HA GLU 5 HA GLU 5 -16.189 -9.369 -6.959 43 1HB GLU 5 HB1 GLU 5 -15.257 -10.939 -5.063 44 2HB GLU 5 HB2 GLU 5 -14.765 -9.442 -4.280 45 1HG GLU 5 HG1 GLU 5 -13.422 -8.810 -6.216 46 2HG GLU 5 HG2 GLU 5 -14.012 -10.198 -7.126 47 H GLU 6 HN GLU 6 -17.542 -8.107 -4.039 48 HA GLU 6 HA GLU 6 -19.210 -10.424 -3.547 49 1HB GLU 6 HB1 GLU 6 -19.776 -7.672 -2.443 50 2HB GLU 6 HB2 GLU 6 -18.353 -8.539 -1.884 51 1HG GLU 6 HG1 GLU 6 -19.795 -10.477 -1.276 52 2HG GLU 6 HG2 GLU 6 -21.213 -9.562 -1.786 53 H CYS 7 HN CYS 7 -20.070 -7.036 -4.271 54 HA CYS 7 HA CYS 7 -22.675 -7.913 -5.293 55 1HB CYS 7 HB1 CYS 7 -23.094 -5.565 -5.658 56 2HB CYS 7 HB2 CYS 7 -21.398 -5.185 -5.638 57 H GLY 8 HN GLY 8 -19.848 -6.272 -6.652 58 1HA GLY 8 HA1 GLY 8 -20.583 -7.383 -9.329 59 2HA GLY 8 HA2 GLY 8 -18.928 -7.088 -8.809 60 H ILE 9 HN ILE 9 -20.185 -4.565 -7.470 61 HA ILE 9 HA ILE 9 -21.106 -2.851 -9.510 62 HB ILE 9 HB ILE 9 -21.005 -2.483 -6.925 63 1HG1 ILE 9 HG11 ILE 9 -20.645 -0.494 -9.113 64 2HG1 ILE 9 HG12 ILE 9 -20.453 0.097 -7.467 65 1HG2 ILE 9 HG21 ILE 9 -18.372 -1.115 -7.657 66 2HG2 ILE 9 HG22 ILE 9 -18.400 -2.748 -7.003 67 3HG2 ILE 9 HG23 ILE 9 -19.026 -1.413 -6.056 68 1HD1 ILE 9 HD1 ILE 9 -22.820 0.247 -8.256 69 2HD1 ILE 9 HD2 ILE 9 -22.650 -0.803 -6.852 70 3HD1 ILE 9 HD3 ILE 9 -22.837 -1.503 -8.457 71 NH1 ARG 10 NH1 ARG 10 -14.254 -3.149 -16.028 72 NH2 ARG 10 NH2 ARG 10 -15.374 -3.413 -18.004 73 H ARG 10 HN ARG 10 -20.139 -1.954 -11.196 74 HA ARG 10 HA ARG 10 -17.181 -2.186 -11.397 75 1HB ARG 10 HB1 ARG 10 -19.298 -1.547 -13.505 76 2HB ARG 10 HB2 ARG 10 -18.613 -3.140 -13.217 77 1HG ARG 10 HG1 ARG 10 -16.333 -1.654 -13.508 78 2HG ARG 10 HG2 ARG 10 -17.425 -0.789 -14.582 79 1HD ARG 10 HD1 ARG 10 -18.042 -3.165 -15.485 80 2HD ARG 10 HD2 ARG 10 -16.532 -3.667 -14.724 81 HE ARG 10 HE ARG 10 -16.560 -1.419 -16.693 82 1HH1 ARG 10 HH11 ARG 10 -14.234 -2.783 -15.098 83 2HH1 ARG 10 HH12 ARG 10 -13.473 -3.665 -16.380 84 1HH2 ARG 10 HH21 ARG 10 -16.192 -3.242 -18.554 85 2HH2 ARG 10 HH22 ARG 10 -14.611 -3.932 -18.389 86 H ABA 11 HN ABU 11 -16.224 -0.423 -10.573 87 HA ABA 11 HA ABU 11 -17.101 2.230 -11.639 88 1HB ABA 11 HB1 ABU 11 -16.693 3.217 -9.445 89 2HB ABA 11 HB2 ABU 11 -16.043 1.714 -8.831 90 1HG ABA 11 HG1 ABU 11 -18.324 1.950 -8.014 91 2HG ABA 11 HG2 ABU 11 -18.295 0.652 -9.201 92 3HG ABA 11 HG3 ABU 11 -18.916 2.237 -9.646 93 H LYS 12 HN LYS 12 -15.425 2.114 -13.165 94 HA LYS 12 HA LYS 12 -12.753 1.456 -12.740 95 1HB LYS 12 HB1 LYS 12 -12.278 2.928 -14.681 96 2HB LYS 12 HB2 LYS 12 -13.828 3.733 -14.467 97 1HG LYS 12 HG1 LYS 12 -14.973 1.537 -14.824 98 2HG LYS 12 HG2 LYS 12 -13.405 0.800 -15.135 99 1HD LYS 12 HD1 LYS 12 -13.991 1.328 -17.309 100 2HD LYS 12 HD2 LYS 12 -13.216 2.843 -16.861 101 1HE LYS 12 HE1 LYS 12 -15.469 3.709 -16.145 102 2HE LYS 12 HE2 LYS 12 -16.189 2.234 -16.776 103 1HZ LYS 12 HZ1 LYS 12 -15.827 4.470 -18.193 104 2HZ LYS 12 HZ2 LYS 12 -15.963 2.919 -18.873 105 3HZ LYS 12 HZ3 LYS 12 -14.430 3.600 -18.612 106 H LYS 13 HN LYS 13 -14.440 4.000 -11.274 107 HA LYS 13 HA LYS 13 -11.963 5.567 -10.851 108 1HB LYS 13 HB1 LYS 13 -13.573 7.249 -9.840 109 2HB LYS 13 HB2 LYS 13 -14.885 6.139 -10.219 110 1HG LYS 13 HG1 LYS 13 -14.919 7.419 -12.147 111 2HG LYS 13 HG2 LYS 13 -13.741 6.205 -12.638 112 1HD LYS 13 HD1 LYS 13 -11.921 7.721 -11.777 113 2HD LYS 13 HD2 LYS 13 -13.145 8.951 -11.488 114 1HE LYS 13 HE1 LYS 13 -12.486 7.682 -14.166 115 2HE LYS 13 HE2 LYS 13 -12.086 9.323 -13.673 116 1HZ LYS 13 HZ1 LYS 13 -14.369 9.894 -13.586 117 2HZ LYS 13 HZ2 LYS 13 -14.857 8.282 -13.810 118 3HZ LYS 13 HZ3 LYS 13 -14.101 9.124 -15.076 119 HA PRO 14 HA PRO 14 -11.497 3.779 -6.771 120 1HB PRO 14 HB1 PRO 14 -9.423 4.663 -6.286 121 2HB PRO 14 HB2 PRO 14 -10.232 6.075 -5.605 122 1HG PRO 14 HG1 PRO 14 -8.633 6.030 -7.954 123 2HG PRO 14 HG2 PRO 14 -9.660 7.362 -7.421 124 1HD PRO 14 HD1 PRO 14 -10.977 6.972 -9.256 125 2HD PRO 14 HD2 PRO 14 -10.079 5.486 -9.623 126 H SER 15 HN SER 15 -11.833 7.291 -6.275 127 HA SER 15 HA SER 15 -13.170 7.468 -3.932 128 1HB SER 15 HB1 SER 15 -12.762 9.413 -5.505 129 2HB SER 15 HB2 SER 15 -14.423 9.438 -4.880 130 HG SER 15 HG1 SER 15 -14.830 7.996 -6.793 131 H MET 16 HN MET 16 -14.655 6.310 -6.919 132 HA MET 16 HA MET 16 -17.308 6.141 -5.735 133 1HB MET 16 HB1 MET 16 -17.639 4.603 -7.835 134 2HB MET 16 HB2 MET 16 -16.005 5.095 -8.270 135 1HG MET 16 HG1 MET 16 -17.599 6.583 -9.329 136 2HG MET 16 HG2 MET 16 -16.673 7.451 -8.137 137 1HE MET 16 HE1 MET 16 -19.979 6.839 -9.655 138 2HE MET 16 HE2 MET 16 -19.171 8.406 -9.673 139 3HE MET 16 HE3 MET 16 -20.736 8.230 -8.882 140 H LEU 17 HN LEU 17 -15.043 3.598 -6.862 141 HA LEU 17 HA LEU 17 -16.403 1.461 -5.597 142 1HB LEU 17 HB1 LEU 17 -13.378 1.615 -5.817 143 2HB LEU 17 HB2 LEU 17 -14.353 1.493 -7.259 144 HG LEU 17 HG LEU 17 -13.548 -0.736 -6.459 145 1HD1 LEU 17 HD11 LEU 17 -15.423 -0.415 -4.112 146 2HD1 LEU 17 HD12 LEU 17 -13.716 -0.022 -3.998 147 3HD1 LEU 17 HD13 LEU 17 -14.218 -1.661 -4.387 148 1HD2 LEU 17 HD21 LEU 17 -15.501 -1.847 -7.024 149 2HD2 LEU 17 HD22 LEU 17 -15.921 -0.231 -7.564 150 3HD2 LEU 17 HD23 LEU 17 -16.521 -0.822 -6.026 151 H LYS 18 HN LYS 18 -13.600 3.320 -4.550 152 HA LYS 18 HA LYS 18 -13.025 2.372 -2.078 153 1HB LYS 18 HB1 LYS 18 -13.516 5.348 -2.576 154 2HB LYS 18 HB2 LYS 18 -12.144 4.494 -3.261 155 1HG LYS 18 HG1 LYS 18 -11.361 5.494 -1.223 156 2HG LYS 18 HG2 LYS 18 -11.525 3.774 -0.909 157 1HD LYS 18 HD1 LYS 18 -13.329 4.065 0.515 158 2HD LYS 18 HD2 LYS 18 -13.908 5.494 -0.331 159 1HE LYS 18 HE1 LYS 18 -12.877 5.894 1.978 160 2HE LYS 18 HE2 LYS 18 -12.254 6.887 0.668 161 1HZ LYS 18 HZ1 LYS 18 -10.933 4.873 2.236 162 2HZ LYS 18 HZ2 LYS 18 -10.281 6.171 1.354 163 3HZ LYS 18 HZ3 LYS 18 -10.665 4.717 0.565 164 H LYS 19 HN LYS 19 -15.596 4.794 -2.628 165 HA LYS 19 HA LYS 19 -16.571 4.654 0.046 166 1HB LYS 19 HB1 LYS 19 -18.066 5.423 -2.503 167 2HB LYS 19 HB2 LYS 19 -17.060 6.525 -1.568 168 1HG LYS 19 HG1 LYS 19 -18.558 5.855 0.445 169 2HG LYS 19 HG2 LYS 19 -19.668 5.228 -0.768 170 1HD LYS 19 HD1 LYS 19 -20.456 7.397 -0.654 171 2HD LYS 19 HD2 LYS 19 -19.206 7.627 -1.872 172 1HE LYS 19 HE1 LYS 19 -18.986 9.343 -0.134 173 2HE LYS 19 HE2 LYS 19 -17.603 8.257 -0.071 174 1HZ LYS 19 HZ1 LYS 19 -18.435 7.190 1.808 175 2HZ LYS 19 HZ2 LYS 19 -19.994 7.835 1.610 176 3HZ LYS 19 HZ3 LYS 19 -18.717 8.840 2.104 177 H HIS 20 HN HIS 20 -17.458 2.953 -2.915 178 HA HIS 20 HA HIS 20 -19.811 1.695 -1.961 179 1HB HIS 20 HB1 HIS 20 -17.715 0.664 -3.911 180 2HB HIS 20 HB2 HIS 20 -19.155 1.573 -4.345 181 HD1 HIS 20 HD1 HIS 20 -21.115 0.073 -4.773 182 HD2 HIS 20 HD2 HIS 20 -18.257 -1.882 -2.631 183 HE1 HIS 20 HE1 HIS 20 -21.928 -2.225 -4.547 184 H ILE 21 HN ILE 21 -16.430 0.545 -1.887 185 HA ILE 21 HA ILE 21 -17.047 -1.922 -0.623 186 HB ILE 21 HB ILE 21 -14.737 -0.899 -1.623 187 1HG1 ILE 21 HG11 ILE 21 -14.969 -2.940 0.622 188 2HG1 ILE 21 HG12 ILE 21 -13.528 -2.723 -0.360 189 1HG2 ILE 21 HG21 ILE 21 -14.641 0.658 0.479 190 2HG2 ILE 21 HG22 ILE 21 -13.186 -0.231 0.101 191 3HG2 ILE 21 HG23 ILE 21 -14.246 -0.783 1.391 192 1HD1 ILE 21 HD1 ILE 21 -15.623 -2.936 -2.225 193 2HD1 ILE 21 HD2 ILE 21 -15.990 -4.144 -1.000 194 3HD1 ILE 21 HD3 ILE 21 -14.441 -4.179 -1.836 195 NH1 ARG 22 NH1 ARG 22 -17.337 5.024 5.270 196 NH2 ARG 22 NH2 ARG 22 -15.499 6.378 5.361 197 H ARG 22 HN ARG 22 -16.637 1.308 0.667 198 HA ARG 22 HA ARG 22 -16.502 0.437 3.444 199 1HB ARG 22 HB1 ARG 22 -17.110 2.913 3.847 200 2HB ARG 22 HB2 ARG 22 -17.169 3.099 2.099 201 1HG ARG 22 HG1 ARG 22 -14.848 2.585 1.864 202 2HG ARG 22 HG2 ARG 22 -14.743 1.946 3.498 203 1HD ARG 22 HD1 ARG 22 -15.315 4.845 2.797 204 2HD ARG 22 HD2 ARG 22 -13.765 4.221 3.359 205 HE ARG 22 HE ARG 22 -15.030 3.541 5.476 206 1HH1 ARG 22 HH11 ARG 22 -17.726 4.118 5.100 207 2HH1 ARG 22 HH12 ARG 22 -17.934 5.783 5.531 208 1HH2 ARG 22 HH21 ARG 22 -14.511 6.487 5.259 209 2HH2 ARG 22 HH22 ARG 22 -16.064 7.160 5.622 210 H THR 23 HN THR 23 -19.062 0.853 1.174 211 HA THR 23 HA THR 23 -21.142 1.375 3.096 212 HB THR 23 HB THR 23 -21.353 -0.034 0.360 213 HG1 THR 23 HG1 THR 23 -21.596 2.078 -0.343 214 1HG2 THR 23 HG21 THR 23 -23.316 1.163 2.344 215 2HG2 THR 23 HG22 THR 23 -23.579 -0.147 1.200 216 3HG2 THR 23 HG23 THR 23 -23.588 1.522 0.642 217 H HIS 24 HN HIS 24 -19.388 -1.484 2.282 218 HA HIS 24 HA HIS 24 -21.464 -3.329 3.218 219 1HB HIS 24 HB1 HIS 24 -19.394 -4.939 3.246 220 2HB HIS 24 HB2 HIS 24 -18.503 -3.594 2.540 221 HD1 HIS 24 HD1 HIS 24 -21.597 -5.565 1.755 222 HD2 HIS 24 HD2 HIS 24 -18.744 -3.390 -0.180 223 HE1 HIS 24 HE1 HIS 24 -22.070 -5.840 -0.650 224 H THR 25 HN THR 25 -20.130 -1.063 4.889 225 HA THR 25 HA THR 25 -19.195 -2.701 7.179 226 HB THR 25 HB THR 25 -18.575 -0.374 8.073 227 HG1 THR 25 HG1 THR 25 -18.827 1.115 6.105 228 1HG2 THR 25 HG21 THR 25 -16.995 0.249 6.148 229 2HG2 THR 25 HG22 THR 25 -17.756 -1.022 5.197 230 3HG2 THR 25 HG23 THR 25 -16.841 -1.433 6.644 231 H ASP 26 HN ASP 26 -20.437 0.303 7.976 232 HA ASP 26 HA ASP 26 -23.159 -0.620 8.537 233 1HB ASP 26 HB1 ASP 26 -22.791 0.037 11.035 234 2HB ASP 26 HB2 ASP 26 -21.066 -0.083 10.692 235 H VAL 27 HN VAL 27 -21.809 1.395 7.013 236 HA VAL 27 HA VAL 27 -22.561 3.899 8.419 237 HB VAL 27 HB VAL 27 -20.344 3.801 7.340 238 1HG1 VAL 27 HG11 VAL 27 -21.840 3.302 4.749 239 2HG1 VAL 27 HG12 VAL 27 -20.959 2.079 5.641 240 3HG1 VAL 27 HG13 VAL 27 -20.097 3.436 4.939 241 1HG2 VAL 27 HG21 VAL 27 -22.260 5.795 6.923 242 2HG2 VAL 27 HG22 VAL 27 -21.559 5.540 5.329 243 3HG2 VAL 27 HG23 VAL 27 -20.523 5.965 6.687 244 NH1 ARG 28 NH1 ARG 28 -25.625 -2.855 3.804 245 NH2 ARG 28 NH2 ARG 28 -24.283 -3.149 5.629 246 H ARG 28 HN ARG 28 -24.717 2.379 7.761 247 HA ARG 28 HA ARG 28 -25.913 3.759 5.394 248 1HB ARG 28 HB1 ARG 28 -27.559 1.763 5.567 249 2HB ARG 28 HB2 ARG 28 -26.412 1.063 6.702 250 1HG ARG 28 HG1 ARG 28 -24.628 1.327 4.939 251 2HG ARG 28 HG2 ARG 28 -25.887 1.806 3.811 252 1HD ARG 28 HD1 ARG 28 -26.090 -0.419 3.375 253 2HD ARG 28 HD2 ARG 28 -26.930 -0.503 4.922 254 HE ARG 28 HE ARG 28 -24.165 -0.677 5.482 255 1HH1 ARG 28 HH11 ARG 28 -26.115 -2.234 3.192 256 2HH1 ARG 28 HH12 ARG 28 -25.662 -3.842 3.647 257 1HH2 ARG 28 HH21 ARG 28 -23.767 -2.746 6.386 258 2HH2 ARG 28 HH22 ARG 28 -24.296 -4.141 5.505 259 HA PRO 29 HA PRO 29 -28.065 5.398 9.172 260 1HB PRO 29 HB1 PRO 29 -27.589 7.638 9.040 261 2HB PRO 29 HB2 PRO 29 -28.664 7.799 7.651 262 1HG PRO 29 HG1 PRO 29 -25.754 7.784 7.672 263 2HG PRO 29 HG2 PRO 29 -26.829 8.051 6.299 264 1HD PRO 29 HD1 PRO 29 -26.436 5.948 5.526 265 2HD PRO 29 HD2 PRO 29 -25.243 5.730 6.815 266 OH TYR 30 OH TYR 30 -30.164 10.400 2.785 267 H TYR 30 HN TYR 30 -29.027 5.051 5.849 268 HA TYR 30 HA TYR 30 -31.836 5.704 6.390 269 1HB TYR 30 HB1 TYR 30 -32.146 4.743 4.036 270 2HB TYR 30 HB2 TYR 30 -30.426 4.398 4.013 271 HD1 TYR 30 HD1 TYR 30 -32.788 7.225 4.661 272 HD2 TYR 30 HD2 TYR 30 -28.960 6.058 3.217 273 HE1 TYR 30 HE1 TYR 30 -32.353 9.530 3.949 274 HE2 TYR 30 HE2 TYR 30 -28.522 8.365 2.515 275 HH TYR 30 HH TYR 30 -30.454 10.489 1.874 276 H HIS 31 HN HIS 31 -32.492 4.303 8.034 277 HA HIS 31 HA HIS 31 -32.359 1.374 7.447 278 1HB HIS 31 HB1 HIS 31 -32.894 1.084 9.837 279 2HB HIS 31 HB2 HIS 31 -33.215 2.806 10.010 280 HD1 HIS 31 HD1 HIS 31 -30.395 0.508 9.488 281 HD2 HIS 31 HD2 HIS 31 -30.978 4.422 10.373 282 HE1 HIS 31 HE1 HIS 31 -28.195 1.347 10.074 283 H CYS 32 HN CYS 32 -34.189 0.146 7.177 284 HA CYS 32 HA CYS 32 -36.605 1.470 6.387 285 1HB CYS 32 HB1 CYS 32 -35.845 -1.392 7.038 286 2HB CYS 32 HB2 CYS 32 -36.248 -0.709 5.486 287 H THR 33 HN THR 33 -38.665 1.448 7.427 288 HA THR 33 HA THR 33 -38.423 1.799 10.328 289 HB THR 33 HB THR 33 -41.018 1.903 8.697 290 HG1 THR 33 HG1 THR 33 -39.858 3.308 7.600 291 1HG2 THR 33 HG21 THR 33 -40.223 3.973 10.706 292 2HG2 THR 33 HG22 THR 33 -40.499 2.378 11.397 293 3HG2 THR 33 HG23 THR 33 -41.784 3.186 10.505 294 OH TYR 34 OH TYR 34 -44.899 0.867 8.221 295 H TYR 34 HN TYR 34 -38.384 -0.896 8.786 296 HA TYR 34 HA TYR 34 -40.065 -2.292 10.798 297 1HB TYR 34 HB1 TYR 34 -40.995 -3.784 9.036 298 2HB TYR 34 HB2 TYR 34 -40.096 -2.912 7.801 299 HD1 TYR 34 HD2 TYR 34 -40.702 -0.539 7.278 300 HD2 TYR 34 HD1 TYR 34 -43.038 -2.879 9.951 301 HE1 TYR 34 HE2 TYR 34 -42.559 1.042 7.038 302 HE2 TYR 34 HE1 TYR 34 -44.897 -1.297 9.706 303 HH TYR 34 HH TYR 34 -44.537 1.756 8.224 304 H CYS 35 HN CYS 35 -38.060 -3.029 7.959 305 HA CYS 35 HA CYS 35 -36.916 -5.379 9.214 306 1HB CYS 35 HB1 CYS 35 -35.591 -5.533 7.198 307 2HB CYS 35 HB2 CYS 35 -35.801 -3.842 6.849 308 H ASN 36 HN ASN 36 -34.501 -5.631 9.263 309 HA ASN 36 HA ASN 36 -33.373 -3.325 10.760 310 1HB ASN 36 HB1 ASN 36 -32.134 -6.096 10.468 311 2HB ASN 36 HB2 ASN 36 -33.422 -5.800 11.632 312 1HD2 ASN 36 HD21 ASN 36 -32.106 -5.987 13.528 313 2HD2 ASN 36 HD22 ASN 36 -30.870 -4.885 13.899 314 H PHE 37 HN PHE 37 -33.564 -4.043 7.710 315 HA PHE 37 HA PHE 37 -30.723 -3.998 6.960 316 1HB PHE 37 HB1 PHE 37 -32.971 -3.459 5.016 317 2HB PHE 37 HB2 PHE 37 -32.845 -5.073 5.714 318 HD1 PHE 37 HD2 PHE 37 -30.623 -6.312 5.496 319 HD2 PHE 37 HD1 PHE 37 -31.474 -2.765 3.307 320 HE1 PHE 37 HE2 PHE 37 -28.818 -6.850 3.918 321 HE2 PHE 37 HE1 PHE 37 -29.668 -3.302 1.732 322 HZ PHE 37 HZ PHE 37 -28.339 -5.345 2.038 323 H SER 38 HN SER 38 -29.835 -2.303 5.618 324 HA SER 38 HA SER 38 -31.283 0.265 5.695 325 1HB SER 38 HB1 SER 38 -28.458 0.002 6.818 326 2HB SER 38 HB2 SER 38 -29.900 0.005 7.842 327 HG SER 38 HG1 SER 38 -29.558 1.945 5.835 328 H PHE 39 HN PHE 39 -30.077 1.969 4.515 329 HA PHE 39 HA PHE 39 -28.275 0.821 2.431 330 1HB PHE 39 HB1 PHE 39 -29.584 1.866 0.715 331 2HB PHE 39 HB2 PHE 39 -30.426 2.887 1.878 332 HD1 PHE 39 HD2 PHE 39 -31.999 1.798 3.536 333 HD2 PHE 39 HD1 PHE 39 -30.410 -0.347 0.225 334 HE1 PHE 39 HE2 PHE 39 -33.760 0.110 3.790 335 HE2 PHE 39 HE1 PHE 39 -32.176 -2.038 0.481 336 HZ PHE 39 HZ PHE 39 -33.850 -1.810 2.266 337 H LYS 40 HN LYS 40 -27.030 2.463 1.288 338 HA LYS 40 HA LYS 40 -26.124 4.547 3.159 339 1HB LYS 40 HB1 LYS 40 -25.126 3.509 0.463 340 2HB LYS 40 HB2 LYS 40 -24.434 3.184 2.036 341 1HG LYS 40 HG1 LYS 40 -24.475 5.882 0.636 342 2HG LYS 40 HG2 LYS 40 -23.072 4.858 0.882 343 1HD LYS 40 HD1 LYS 40 -23.846 5.022 3.428 344 2HD LYS 40 HD2 LYS 40 -24.550 6.529 2.866 345 1HE LYS 40 HE1 LYS 40 -22.300 7.009 3.614 346 2HE LYS 40 HE2 LYS 40 -22.311 7.109 1.858 347 1HZ LYS 40 HZ1 LYS 40 -21.438 4.866 1.756 348 2HZ LYS 40 HZ2 LYS 40 -21.430 4.768 3.451 349 3HZ LYS 40 HZ3 LYS 40 -20.412 5.872 2.659 350 H THR 41 HN THR 41 -28.219 4.282 0.497 351 HA THR 41 HA THR 41 -28.207 7.262 0.207 352 HB THR 41 HB THR 41 -28.464 7.039 -2.193 353 HG1 THR 41 HG1 THR 41 -29.631 4.764 -1.293 354 1HG2 THR 41 HG21 THR 41 -26.168 6.098 -1.239 355 2HG2 THR 41 HG22 THR 41 -26.601 5.626 -2.879 356 3HG2 THR 41 HG23 THR 41 -26.862 4.508 -1.544 357 H LYS 42 HN LYS 42 -30.193 8.209 -0.383 358 HA LYS 42 HA LYS 42 -32.439 6.993 0.942 359 1HB LYS 42 HB1 LYS 42 -32.125 9.503 -0.762 360 2HB LYS 42 HB2 LYS 42 -32.187 9.424 0.995 361 1HG LYS 42 HG1 LYS 42 -34.524 8.360 0.683 362 2HG LYS 42 HG2 LYS 42 -34.426 8.935 -0.979 363 1HD LYS 42 HD1 LYS 42 -33.822 11.233 0.061 364 2HD LYS 42 HD2 LYS 42 -34.433 10.560 1.569 365 1HE LYS 42 HE1 LYS 42 -36.584 10.029 0.437 366 2HE LYS 42 HE2 LYS 42 -35.971 10.753 -1.044 367 1HZ LYS 42 HZ1 LYS 42 -36.275 12.811 -0.269 368 2HZ LYS 42 HZ2 LYS 42 -35.774 12.423 1.307 369 3HZ LYS 42 HZ3 LYS 42 -37.360 12.073 0.810 370 H GLY 43 HN GLY 43 -31.228 7.007 -2.263 371 1HA GLY 43 HA1 GLY 43 -32.055 6.019 -4.227 372 2HA GLY 43 HA2 GLY 43 -33.626 6.662 -3.753 373 H ASN 44 HN ASN 44 -31.395 4.096 -2.690 374 HA ASN 44 HA ASN 44 -33.031 1.916 -3.278 375 1HB ASN 44 HB1 ASN 44 -31.773 0.841 -1.259 376 2HB ASN 44 HB2 ASN 44 -30.985 2.402 -1.081 377 1HD2 ASN 44 HD21 ASN 44 -28.916 2.078 -1.920 378 2HD2 ASN 44 HD22 ASN 44 -28.589 1.414 -3.448 379 H LEU 45 HN LEU 45 -33.123 4.055 -0.492 380 HA LEU 45 HA LEU 45 -34.844 2.522 1.159 381 1HB LEU 45 HB1 LEU 45 -35.031 5.547 0.864 382 2HB LEU 45 HB2 LEU 45 -33.601 4.816 1.572 383 HG LEU 45 HG LEU 45 -35.240 5.505 3.309 384 1HD1 LEU 45 HD11 LEU 45 -37.244 5.018 1.747 385 2HD1 LEU 45 HD12 LEU 45 -37.436 4.637 3.452 386 3HD1 LEU 45 HD13 LEU 45 -37.114 3.355 2.295 387 1HD2 LEU 45 HD21 LEU 45 -34.821 3.676 4.639 388 2HD2 LEU 45 HD22 LEU 45 -33.783 3.250 3.291 389 3HD2 LEU 45 HD23 LEU 45 -35.370 2.519 3.434 390 H THR 46 HN THR 46 -35.705 5.171 -1.058 391 HA THR 46 HA THR 46 -38.495 4.891 -0.893 392 HB THR 46 HB THR 46 -36.760 5.649 -3.324 393 HG1 THR 46 HG1 THR 46 -37.681 7.735 -2.337 394 1HG2 THR 46 HG21 THR 46 -39.191 7.128 -3.206 395 2HG2 THR 46 HG22 THR 46 -39.684 5.462 -2.914 396 3HG2 THR 46 HG23 THR 46 -38.818 5.879 -4.390 397 H LYS 47 HN LYS 47 -36.147 3.052 -2.743 398 HA LYS 47 HA LYS 47 -38.117 1.663 -4.348 399 1HB LYS 47 HB1 LYS 47 -35.233 0.996 -3.593 400 2HB LYS 47 HB2 LYS 47 -35.774 1.772 -5.077 401 1HG LYS 47 HG1 LYS 47 -37.226 -0.377 -5.389 402 2HG LYS 47 HG2 LYS 47 -36.136 -1.093 -4.208 403 1HD LYS 47 HD1 LYS 47 -34.219 -0.215 -5.689 404 2HD LYS 47 HD2 LYS 47 -35.448 0.062 -6.919 405 1HE LYS 47 HE1 LYS 47 -36.119 -2.327 -6.765 406 2HE LYS 47 HE2 LYS 47 -34.854 -2.594 -5.572 407 1HZ LYS 47 HZ1 LYS 47 -33.656 -3.131 -7.362 408 2HZ LYS 47 HZ2 LYS 47 -33.473 -1.453 -7.545 409 3HZ LYS 47 HZ3 LYS 47 -34.656 -2.281 -8.438 410 H HIS 48 HN HIS 48 -36.451 0.904 -1.307 411 HA HIS 48 HA HIS 48 -37.634 -1.742 -1.128 412 1HB HIS 48 HB1 HIS 48 -36.318 0.067 0.961 413 2HB HIS 48 HB2 HIS 48 -35.555 -1.261 0.090 414 HD1 HIS 48 HD1 HIS 48 -36.733 -3.632 0.643 415 HD2 HIS 48 HD2 HIS 48 -37.534 -0.667 3.341 416 HE1 HIS 48 HE1 HIS 48 -37.589 -4.775 2.630 417 H MET 49 HN MET 49 -38.795 1.401 -0.531 418 HA MET 49 HA MET 49 -40.881 0.403 1.343 419 1HB MET 49 HB1 MET 49 -41.474 2.961 1.288 420 2HB MET 49 HB2 MET 49 -39.932 3.154 0.461 421 1HG MET 49 HG1 MET 49 -39.419 3.443 2.741 422 2HG MET 49 HG2 MET 49 -38.894 1.826 2.356 423 1HE MET 49 HE1 MET 49 -38.476 1.189 4.565 424 2HE MET 49 HE2 MET 49 -39.606 1.097 5.914 425 3HE MET 49 HE3 MET 49 -39.004 2.664 5.375 426 H LYS 50 HN LYS 50 -40.515 1.901 -1.840 427 HA LYS 50 HA LYS 50 -43.242 2.309 -2.442 428 1HB LYS 50 HB1 LYS 50 -41.196 1.258 -4.443 429 2HB LYS 50 HB2 LYS 50 -41.142 2.912 -3.845 430 1HG LYS 50 HG1 LYS 50 -43.225 3.461 -4.813 431 2HG LYS 50 HG2 LYS 50 -43.695 1.773 -4.979 432 1HD LYS 50 HD1 LYS 50 -41.208 2.548 -6.401 433 2HD LYS 50 HD2 LYS 50 -42.690 3.257 -7.030 434 1HE LYS 50 HE1 LYS 50 -42.115 1.028 -8.061 435 2HE LYS 50 HE2 LYS 50 -43.699 1.069 -7.300 436 1HZ LYS 50 HZ1 LYS 50 -42.290 -0.915 -6.790 437 2HZ LYS 50 HZ2 LYS 50 -42.898 -0.088 -5.436 438 3HZ LYS 50 HZ3 LYS 50 -41.276 0.113 -5.899 439 H SER 51 HN SER 51 -41.253 -0.572 -3.113 440 HA SER 51 HA SER 51 -43.108 -2.201 -4.359 441 1HB SER 51 HB1 SER 51 -41.451 -3.297 -2.045 442 2HB SER 51 HB2 SER 51 -40.663 -2.744 -3.536 443 HG SER 51 HG1 SER 51 -42.720 -4.067 -4.354 444 H LYS 52 HN LYS 52 -44.408 -4.007 -3.454 445 HA LYS 52 HA LYS 52 -46.285 -2.949 -1.512 446 1HB LYS 52 HB1 LYS 52 -47.239 -4.381 -3.171 447 2HB LYS 52 HB2 LYS 52 -47.198 -5.403 -1.739 448 1HG LYS 52 HG1 LYS 52 -44.819 -6.085 -2.609 449 2HG LYS 52 HG2 LYS 52 -45.394 -5.460 -4.150 450 1HD LYS 52 HD1 LYS 52 -47.407 -6.951 -3.939 451 2HD LYS 52 HD2 LYS 52 -46.694 -7.641 -2.486 452 1HE LYS 52 HE1 LYS 52 -45.249 -7.581 -5.148 453 2HE LYS 52 HE2 LYS 52 -46.254 -8.932 -4.645 454 1HZ LYS 52 HZ1 LYS 52 -43.646 -8.109 -3.692 455 2HZ LYS 52 HZ2 LYS 52 -44.336 -9.658 -3.783 456 3HZ LYS 52 HZ3 LYS 52 -44.731 -8.627 -2.493 457 H ALA 53 HN ALA 53 -43.419 -3.587 -0.719 458 HA ALA 53 HA ALA 53 -43.294 -5.800 1.013 459 1HB ALA 53 HB1 ALA 53 -41.315 -4.419 0.531 460 2HB ALA 53 HB2 ALA 53 -41.586 -4.393 2.270 461 3HB ALA 53 HB3 ALA 53 -42.064 -3.015 1.285 462 H HIS 54 HN HIS 54 -42.974 -2.968 2.885 463 HA HIS 54 HA HIS 54 -45.646 -3.302 4.108 464 1HB HIS 54 HB1 HIS 54 -44.538 -4.756 5.568 465 2HB HIS 54 HB2 HIS 54 -44.217 -3.231 6.385 466 HD1 HIS 54 HD1 HIS 54 -42.493 -5.993 4.921 467 HD2 HIS 54 HD2 HIS 54 -41.554 -2.072 5.597 468 HE1 HIS 54 HE1 HIS 54 -40.046 -5.877 4.832 469 H SER 55 HN SER 55 -45.998 -1.188 3.298 470 HA SER 55 HA SER 55 -44.975 0.876 5.142 471 1HB SER 55 HB1 SER 55 -44.636 1.001 2.095 472 2HB SER 55 HB2 SER 55 -43.337 1.012 3.305 473 HG SER 55 HG1 SER 55 -45.433 2.913 3.034 474 H LYS 56 HN LYS 56 -46.968 0.209 2.289 475 HA LYS 56 HA LYS 56 -48.863 2.332 3.177 476 1HB LYS 56 HB1 LYS 56 -49.897 1.853 0.874 477 2HB LYS 56 HB2 LYS 56 -48.551 0.757 0.581 478 1HG LYS 56 HG1 LYS 56 -46.953 2.603 0.930 479 2HG LYS 56 HG2 LYS 56 -48.284 3.704 1.266 480 1HD LYS 56 HD1 LYS 56 -48.685 2.262 -1.240 481 2HD LYS 56 HD2 LYS 56 -47.180 3.173 -1.249 482 1HE LYS 56 HE1 LYS 56 -48.344 5.220 -0.662 483 2HE LYS 56 HE2 LYS 56 -49.849 4.346 -0.407 484 1HZ LYS 56 HZ1 LYS 56 -49.742 5.487 -2.559 485 2HZ LYS 56 HZ2 LYS 56 -49.941 3.808 -2.722 486 3HZ LYS 56 HZ3 LYS 56 -48.422 4.515 -3.001 487 H LYS 57 HN LYS 57 -50.090 -0.153 1.181 488 HA LYS 57 HA LYS 57 -51.001 -1.994 3.137 489 1HB LYS 57 HB1 LYS 57 -53.487 -0.694 2.457 490 2HB LYS 57 HB2 LYS 57 -52.398 0.527 3.106 491 1HG LYS 57 HG1 LYS 57 -52.004 -0.834 5.103 492 2HG LYS 57 HG2 LYS 57 -52.982 -2.139 4.439 493 1HD LYS 57 HD1 LYS 57 -54.987 -0.885 4.626 494 2HD LYS 57 HD2 LYS 57 -54.119 0.636 4.800 495 1HE LYS 57 HE1 LYS 57 -55.058 -0.235 6.968 496 2HE LYS 57 HE2 LYS 57 -53.313 -0.007 7.001 497 1HZ LYS 57 HZ1 LYS 57 -53.858 -2.590 6.069 498 2HZ LYS 57 HZ2 LYS 57 -54.757 -2.340 7.488 499 3HZ LYS 57 LYS 57 -53.073 -2.126 7.501 Start of MODEL 27 Raw file had 499 H/Q atoms Start of MODEL 27 1 1H LYS 1 HT1 LYS 1 -10.835 -4.898 -12.136 2 2H LYS 1 HT2 LYS 1 -9.568 -3.914 -12.694 3 3H LYS 1 HT3 LYS 1 -10.965 -3.207 -12.035 4 HA LYS 1 HA LYS 1 -9.507 -5.082 -10.351 5 1HB LYS 1 HB1 LYS 1 -8.541 -2.286 -10.141 6 2HB LYS 1 HB2 LYS 1 -8.078 -3.049 -11.655 7 1HG LYS 1 HG1 LYS 1 -6.336 -3.501 -10.028 8 2HG LYS 1 HG2 LYS 1 -7.195 -5.006 -10.320 9 1HD LYS 1 HD1 LYS 1 -8.496 -4.720 -8.278 10 2HD LYS 1 HD2 LYS 1 -7.826 -3.112 -8.031 11 1HE LYS 1 HE1 LYS 1 -6.314 -5.743 -7.959 12 2HE LYS 1 HE2 LYS 1 -6.627 -4.671 -6.599 13 1HZ LYS 1 HZ1 LYS 1 -4.659 -4.457 -8.711 14 2HZ LYS 1 HZ2 LYS 1 -4.601 -3.908 -7.106 15 3HZ LYS 1 HZ3 LYS 1 -5.424 -3.003 -8.283 16 OH TYR 2 OH TYR 2 -7.438 2.283 -8.969 17 H TYR 2 HN TYR 2 -11.336 -2.166 -10.974 18 HA TYR 2 HA TYR 2 -11.976 -1.899 -8.091 19 1HB TYR 2 HB1 TYR 2 -13.181 0.160 -8.861 20 2HB TYR 2 HB2 TYR 2 -12.793 -0.253 -10.529 21 HD1 TYR 2 HD2 TYR 2 -11.280 0.616 -7.251 22 HD2 TYR 2 HD1 TYR 2 -10.640 0.249 -11.438 23 HE1 TYR 2 HE2 TYR 2 -9.124 1.761 -7.021 24 HE2 TYR 2 HE1 TYR 2 -8.478 1.380 -11.207 25 HH TYR 2 HH TYR 2 -6.831 1.896 -9.603 26 H ILE 3 HN ILE 3 -12.973 -4.213 -8.743 27 HA ILE 3 HA ILE 3 -15.882 -3.715 -9.243 28 HB ILE 3 HB ILE 3 -14.323 -6.274 -9.834 29 1HG1 ILE 3 HG11 ILE 3 -14.611 -3.772 -11.368 30 2HG1 ILE 3 HG12 ILE 3 -15.071 -5.213 -12.267 31 1HG2 ILE 3 HG21 ILE 3 -17.072 -5.249 -10.723 32 2HG2 ILE 3 HG22 ILE 3 -16.809 -6.471 -9.482 33 3HG2 ILE 3 HG23 ILE 3 -16.377 -6.809 -11.154 34 1HD1 ILE 3 HD1 ILE 3 -12.921 -6.266 -11.756 35 2HD1 ILE 3 HD2 ILE 3 -12.466 -4.904 -10.738 36 3HD1 ILE 3 HD3 ILE 3 -12.631 -4.686 -12.477 37 H CYS 4 HN CYS 4 -16.978 -3.962 -7.378 38 HA CYS 4 HA CYS 4 -15.896 -5.210 -5.081 39 1HB CYS 4 HB1 CYS 4 -18.782 -4.756 -5.889 40 2HB CYS 4 HB2 CYS 4 -17.809 -3.711 -4.894 41 H GLU 5 HN GLU 5 -15.334 -7.230 -4.898 42 HA GLU 5 HA GLU 5 -16.166 -9.344 -6.569 43 1HB GLU 5 HB1 GLU 5 -15.316 -10.765 -4.517 44 2HB GLU 5 HB2 GLU 5 -14.900 -9.205 -3.816 45 1HG GLU 5 HG1 GLU 5 -12.939 -9.971 -4.991 46 2HG GLU 5 HG2 GLU 5 -13.648 -8.700 -5.983 47 H GLU 6 HN GLU 6 -17.765 -7.917 -3.879 48 HA GLU 6 HA GLU 6 -19.422 -10.268 -3.390 49 1HB GLU 6 HB1 GLU 6 -19.943 -7.485 -2.306 50 2HB GLU 6 HB2 GLU 6 -18.646 -8.471 -1.646 51 1HG GLU 6 HG1 GLU 6 -20.238 -10.258 -1.102 52 2HG GLU 6 HG2 GLU 6 -21.548 -9.346 -1.848 53 H CYS 7 HN CYS 7 -20.299 -6.878 -4.072 54 HA CYS 7 HA CYS 7 -22.855 -7.729 -5.182 55 1HB CYS 7 HB1 CYS 7 -23.253 -5.394 -5.557 56 2HB CYS 7 HB2 CYS 7 -21.555 -5.024 -5.578 57 H GLY 8 HN GLY 8 -19.946 -6.213 -6.520 58 1HA GLY 8 HA1 GLY 8 -20.652 -7.390 -9.174 59 2HA GLY 8 HA2 GLY 8 -19.008 -7.047 -8.644 60 H ILE 9 HN ILE 9 -20.296 -4.490 -7.425 61 HA ILE 9 HA ILE 9 -21.220 -2.872 -9.547 62 HB ILE 9 HB ILE 9 -21.210 -2.395 -7.000 63 1HG1 ILE 9 HG11 ILE 9 -21.912 -0.771 -8.785 64 2HG1 ILE 9 HG12 ILE 9 -20.267 -0.152 -8.825 65 1HG2 ILE 9 HG21 ILE 9 -18.518 -1.096 -7.638 66 2HG2 ILE 9 HG22 ILE 9 -18.601 -2.728 -6.997 67 3HG2 ILE 9 HG23 ILE 9 -19.235 -1.389 -6.063 68 1HD1 ILE 9 HD1 ILE 9 -21.926 -0.278 -6.290 69 2HD1 ILE 9 HD2 ILE 9 -21.868 1.142 -7.329 70 3HD1 ILE 9 HD3 ILE 9 -20.406 0.579 -6.528 71 NH1 ARG 10 NH2 ARG 10 -18.175 -2.507 -17.136 72 NH2 ARG 10 NH1 ARG 10 -16.687 -4.221 -17.402 73 H ARG 10 HN ARG 10 -20.223 -1.873 -11.186 74 HA ARG 10 HA ARG 10 -17.259 -2.154 -11.354 75 1HB ARG 10 HB1 ARG 10 -19.217 -1.353 -13.551 76 2HB ARG 10 HB2 ARG 10 -18.819 -3.030 -13.200 77 1HG ARG 10 HG1 ARG 10 -16.418 -1.392 -13.411 78 2HG ARG 10 HG2 ARG 10 -17.386 -1.300 -14.878 79 1HD ARG 10 HD1 ARG 10 -16.677 -3.925 -13.531 80 2HD ARG 10 HD2 ARG 10 -15.713 -3.216 -14.826 81 HE ARG 10 HE ARG 10 -18.364 -4.443 -15.128 82 1HH1 ARG 10 HH21 ARG 10 -18.790 -1.993 -16.538 83 2HH1 ARG 10 HH22 ARG 10 -18.078 -2.248 -18.097 84 1HH2 ARG 10 HH11 ARG 10 -16.186 -4.990 -17.005 85 2HH2 ARG 10 HH12 ARG 10 -16.564 -3.990 -18.367 86 H ABA 11 HN ABU 11 -16.122 -0.424 -10.792 87 HA ABA 11 HA ABU 11 -17.137 2.265 -11.620 88 1HB ABA 11 HB1 ABU 11 -16.401 3.166 -9.466 89 2HB ABA 11 HB2 ABU 11 -15.755 1.615 -8.985 90 1HG ABA 11 HG1 ABU 11 -18.056 0.647 -9.131 91 2HG ABA 11 HG2 ABU 11 -18.675 2.251 -9.504 92 3HG ABA 11 HG3 ABU 11 -17.946 1.934 -7.934 93 H LYS 12 HN LYS 12 -15.740 2.738 -13.187 94 HA LYS 12 HA LYS 12 -13.036 1.914 -13.322 95 1HB LYS 12 HB1 LYS 12 -12.857 3.676 -15.092 96 2HB LYS 12 HB2 LYS 12 -14.404 4.334 -14.576 97 1HG LYS 12 HG1 LYS 12 -15.503 2.185 -15.106 98 2HG LYS 12 HG2 LYS 12 -13.955 1.511 -15.605 99 1HD LYS 12 HD1 LYS 12 -14.820 4.083 -16.867 100 2HD LYS 12 HD2 LYS 12 -15.631 2.608 -17.380 101 1HE LYS 12 HE1 LYS 12 -13.639 1.643 -18.184 102 2HE LYS 12 HE2 LYS 12 -12.623 2.703 -17.215 103 1HZ LYS 12 HZ1 LYS 12 -14.361 3.882 -19.261 104 2HZ LYS 12 HZ2 LYS 12 -12.924 3.117 -19.744 105 3HZ LYS 12 HZ3 LYS 12 -12.868 4.428 -18.665 106 H LYS 13 HN LYS 13 -14.118 3.716 -10.900 107 HA LYS 13 HA LYS 13 -11.552 5.192 -10.741 108 1HB LYS 13 HB1 LYS 13 -13.021 7.088 -9.637 109 2HB LYS 13 HB2 LYS 13 -14.354 6.301 -10.477 110 1HG LYS 13 HG1 LYS 13 -13.157 6.536 -12.621 111 2HG LYS 13 HG2 LYS 13 -11.799 7.288 -11.792 112 1HD LYS 13 HD1 LYS 13 -14.501 8.478 -11.340 113 2HD LYS 13 HD2 LYS 13 -13.761 8.744 -12.914 114 1HE LYS 13 HE1 LYS 13 -11.805 9.743 -11.913 115 2HE LYS 13 HE2 LYS 13 -12.316 9.261 -10.299 116 1HZ LYS 13 HZ1 LYS 13 -13.252 11.248 -10.166 117 2HZ LYS 13 HZ2 LYS 13 -14.418 10.701 -11.273 118 3HZ LYS 13 HZ3 LYS 13 -13.057 11.553 -11.826 119 HA PRO 14 HA PRO 14 -11.402 3.654 -6.589 120 1HB PRO 14 HB1 PRO 14 -9.349 4.553 -6.038 121 2HB PRO 14 HB2 PRO 14 -10.203 5.942 -5.366 122 1HG PRO 14 HG1 PRO 14 -8.494 5.996 -7.614 123 2HG PRO 14 HG2 PRO 14 -9.626 7.270 -7.156 124 1HD PRO 14 HD1 PRO 14 -10.758 6.814 -9.099 125 2HD PRO 14 HD2 PRO 14 -9.805 5.341 -9.355 126 H SER 15 HN SER 15 -11.744 7.170 -6.143 127 HA SER 15 HA SER 15 -13.215 7.391 -3.887 128 1HB SER 15 HB1 SER 15 -12.818 9.410 -5.181 129 2HB SER 15 HB2 SER 15 -14.584 9.246 -5.168 130 HG SER 15 HG1 SER 15 -12.739 8.673 -7.197 131 H MET 16 HN MET 16 -14.582 6.345 -6.980 132 HA MET 16 HA MET 16 -17.267 6.127 -5.911 133 1HB MET 16 HB1 MET 16 -17.500 4.631 -8.060 134 2HB MET 16 HB2 MET 16 -15.852 5.147 -8.410 135 1HG MET 16 HG1 MET 16 -17.425 6.642 -9.500 136 2HG MET 16 HG2 MET 16 -16.543 7.491 -8.260 137 1HE MET 16 HE1 MET 16 -19.667 5.967 -9.526 138 2HE MET 16 HE2 MET 16 -20.967 6.456 -8.439 139 3HE MET 16 HE3 MET 16 -19.850 5.179 -7.959 140 H LEU 17 HN LEU 17 -14.757 3.701 -6.745 141 HA LEU 17 HA LEU 17 -16.277 1.520 -5.633 142 1HB LEU 17 HB1 LEU 17 -13.245 1.588 -5.808 143 2HB LEU 17 HB2 LEU 17 -14.205 1.490 -7.264 144 HG LEU 17 HG LEU 17 -13.486 -0.766 -6.448 145 1HD1 LEU 17 HD11 LEU 17 -15.359 -0.382 -4.104 146 2HD1 LEU 17 HD12 LEU 17 -13.639 -0.043 -3.986 147 3HD1 LEU 17 HD13 LEU 17 -14.194 -1.664 -4.375 148 1HD2 LEU 17 HD21 LEU 17 -15.469 -1.818 -7.015 149 2HD2 LEU 17 HD22 LEU 17 -15.841 -0.194 -7.561 150 3HD2 LEU 17 HD23 LEU 17 -16.461 -0.760 -6.023 151 H LYS 18 HN LYS 18 -13.317 3.135 -4.501 152 HA LYS 18 HA LYS 18 -12.963 2.100 -2.012 153 1HB LYS 18 HB1 LYS 18 -12.812 4.948 -3.032 154 2HB LYS 18 HB2 LYS 18 -11.494 3.874 -2.581 155 1HG LYS 18 HG1 LYS 18 -12.508 4.012 -0.181 156 2HG LYS 18 HG2 LYS 18 -13.345 5.438 -0.785 157 1HD LYS 18 HD1 LYS 18 -11.423 6.503 -0.136 158 2HD LYS 18 HD2 LYS 18 -10.835 5.941 -1.697 159 1HE LYS 18 HE1 LYS 18 -10.508 4.504 0.955 160 2HE LYS 18 HE2 LYS 18 -9.239 5.341 0.073 161 1HZ LYS 18 HZ1 LYS 18 -9.739 3.780 -1.808 162 2HZ LYS 18 HZ2 LYS 18 -10.681 2.883 -0.715 163 3HZ LYS 18 HZ3 LYS 18 -9.017 3.081 -0.440 164 H LYS 19 HN LYS 19 -15.320 4.662 -2.756 165 HA LYS 19 HA LYS 19 -16.345 4.765 -0.094 166 1HB LYS 19 HB1 LYS 19 -17.853 5.421 -2.666 167 2HB LYS 19 HB2 LYS 19 -16.666 6.512 -1.959 168 1HG LYS 19 HG1 LYS 19 -18.693 5.499 -0.055 169 2HG LYS 19 HG2 LYS 19 -19.336 6.530 -1.329 170 1HD LYS 19 HD1 LYS 19 -17.721 8.286 -0.770 171 2HD LYS 19 HD2 LYS 19 -16.972 7.248 0.437 172 1HE LYS 19 HE1 LYS 19 -19.890 8.071 0.512 173 2HE LYS 19 HE2 LYS 19 -18.619 8.916 1.388 174 1HZ LYS 19 HZ1 LYS 19 -18.731 6.037 1.748 175 2HZ LYS 19 HZ2 LYS 19 -20.015 6.922 2.417 176 3HZ LYS 19 HZ3 LYS 19 -18.417 7.265 2.877 177 H HIS 20 HN HIS 20 -17.237 2.953 -2.980 178 HA HIS 20 HA HIS 20 -19.652 1.831 -1.959 179 1HB HIS 20 HB1 HIS 20 -17.650 0.725 -3.975 180 2HB HIS 20 HB2 HIS 20 -19.075 1.679 -4.363 181 HD1 HIS 20 HD1 HIS 20 -21.059 0.227 -4.793 182 HD2 HIS 20 HD2 HIS 20 -18.258 -1.797 -2.659 183 HE1 HIS 20 HE1 HIS 20 -21.936 -2.046 -4.553 184 H ILE 21 HN ILE 21 -16.340 0.468 -2.054 185 HA ILE 21 HA ILE 21 -16.982 -1.940 -0.748 186 HB ILE 21 HB ILE 21 -14.667 -0.987 -1.764 187 1HG1 ILE 21 HG11 ILE 21 -14.920 -3.001 0.504 188 2HG1 ILE 21 HG12 ILE 21 -13.486 -2.825 -0.494 189 1HG2 ILE 21 HG21 ILE 21 -14.142 -0.846 1.241 190 2HG2 ILE 21 HG22 ILE 21 -14.541 0.591 0.323 191 3HG2 ILE 21 HG23 ILE 21 -13.096 -0.312 -0.068 192 1HD1 ILE 21 HD1 ILE 21 -14.435 -4.256 -1.967 193 2HD1 ILE 21 HD2 ILE 21 -15.632 -3.016 -2.320 194 3HD1 ILE 21 HD3 ILE 21 -15.959 -4.230 -1.088 195 NH1 ARG 22 NH2 ARG 22 -15.879 3.218 6.172 196 NH2 ARG 22 NH1 ARG 22 -16.459 5.281 5.379 197 H ARG 22 HN ARG 22 -16.552 1.272 0.553 198 HA ARG 22 HA ARG 22 -16.374 0.360 3.311 199 1HB ARG 22 HB1 ARG 22 -17.079 2.841 3.726 200 2HB ARG 22 HB2 ARG 22 -17.003 3.024 1.978 201 1HG ARG 22 HG1 ARG 22 -14.664 2.298 1.965 202 2HG ARG 22 HG2 ARG 22 -14.725 1.985 3.695 203 1HD ARG 22 HD1 ARG 22 -15.541 4.712 2.813 204 2HD ARG 22 HD2 ARG 22 -13.827 4.322 2.682 205 HE ARG 22 HE ARG 22 -13.709 4.387 5.036 206 1HH1 ARG 22 HH21 ARG 22 -15.242 2.448 6.167 207 2HH1 ARG 22 HH22 ARG 22 -16.686 3.197 6.762 208 1HH2 ARG 22 HH11 ARG 22 -16.258 6.056 4.781 209 2HH2 ARG 22 HH12 ARG 22 -17.276 5.294 5.956 210 H THR 23 HN THR 23 -19.012 1.323 1.180 211 HA THR 23 HA THR 23 -21.082 1.619 3.025 212 HB THR 23 HB THR 23 -21.482 -0.056 0.491 213 HG1 THR 23 HG1 THR 23 -21.574 2.236 -0.362 214 1HG2 THR 23 HG21 THR 23 -23.007 2.443 1.243 215 2HG2 THR 23 HG22 THR 23 -23.310 1.021 2.240 216 3HG2 THR 23 HG23 THR 23 -23.620 0.964 0.508 217 H HIS 24 HN HIS 24 -19.318 -1.258 2.209 218 HA HIS 24 HA HIS 24 -21.336 -3.060 3.342 219 1HB HIS 24 HB1 HIS 24 -19.299 -4.694 3.277 220 2HB HIS 24 HB2 HIS 24 -18.412 -3.378 2.517 221 HD1 HIS 24 HD1 HIS 24 -21.527 -5.373 1.854 222 HD2 HIS 24 HD2 HIS 24 -18.798 -3.145 -0.190 223 HE1 HIS 24 HE1 HIS 24 -22.062 -5.690 -0.542 224 H THR 25 HN THR 25 -19.992 -0.734 4.854 225 HA THR 25 HA THR 25 -18.788 -2.214 7.118 226 HB THR 25 HB THR 25 -18.479 0.243 7.960 227 HG1 THR 25 HG1 THR 25 -20.022 0.444 5.725 228 1HG2 THR 25 HG21 THR 25 -16.470 -0.354 6.867 229 2HG2 THR 25 HG22 THR 25 -17.076 0.796 5.679 230 3HG2 THR 25 HG23 THR 25 -17.325 -0.930 5.440 231 H ASP 26 HN ASP 26 -20.313 0.682 7.931 232 HA ASP 26 HA ASP 26 -22.782 -0.656 8.851 233 1HB ASP 26 HB1 ASP 26 -22.373 0.453 11.161 234 2HB ASP 26 HB2 ASP 26 -20.711 0.701 10.634 235 H VAL 27 HN VAL 27 -21.924 1.414 6.954 236 HA VAL 27 HA VAL 27 -23.241 3.829 8.067 237 HB VAL 27 HB VAL 27 -21.085 4.136 6.917 238 1HG1 VAL 27 HG11 VAL 27 -22.440 2.871 4.522 239 2HG1 VAL 27 HG12 VAL 27 -21.203 2.111 5.506 240 3HG1 VAL 27 HG13 VAL 27 -20.809 3.531 4.549 241 1HG2 VAL 27 HG21 VAL 27 -21.772 6.056 5.916 242 2HG2 VAL 27 HG22 VAL 27 -23.402 5.546 6.343 243 3HG2 VAL 27 HG23 VAL 27 -22.755 5.185 4.746 244 NH1 ARG 28 NH1 ARG 28 -25.631 -1.269 1.307 245 NH2 ARG 28 NH2 ARG 28 -26.106 -3.017 2.700 246 H ARG 28 HN ARG 28 -24.946 1.764 7.704 247 HA ARG 28 HA ARG 28 -26.564 2.583 5.327 248 1HB ARG 28 HB1 ARG 28 -27.459 0.155 5.556 249 2HB ARG 28 HB2 ARG 28 -26.086 -0.124 6.621 250 1HG ARG 28 HG1 ARG 28 -24.762 1.015 4.599 251 2HG ARG 28 HG2 ARG 28 -26.120 0.388 3.680 252 1HD ARG 28 HD1 ARG 28 -25.657 -1.834 5.003 253 2HD ARG 28 HD2 ARG 28 -24.063 -1.127 5.271 254 HE ARG 28 HE ARG 28 -23.586 -1.458 2.974 255 1HH1 ARG 28 HH11 ARG 28 -25.095 -0.447 1.118 256 2HH1 ARG 28 HH12 ARG 28 -26.322 -1.578 0.652 257 1HH2 ARG 28 HH21 ARG 28 -25.927 -3.505 3.553 258 2HH2 ARG 28 HH22 ARG 28 -26.805 -3.355 2.069 259 HA PRO 29 HA PRO 29 -28.919 3.493 9.225 260 1HB PRO 29 HB1 PRO 29 -29.280 5.748 9.047 261 2HB PRO 29 HB2 PRO 29 -30.369 5.500 7.682 262 1HG PRO 29 HG1 PRO 29 -27.595 6.428 7.646 263 2HG PRO 29 HG2 PRO 29 -28.746 6.363 6.309 264 1HD PRO 29 HD1 PRO 29 -27.787 4.468 5.492 265 2HD PRO 29 HD2 PRO 29 -26.498 4.655 6.697 266 OH TYR 30 OH TYR 30 -32.579 7.376 3.002 267 H TYR 30 HN TYR 30 -29.960 2.768 5.971 268 HA TYR 30 HA TYR 30 -32.771 2.449 6.732 269 1HB TYR 30 HB1 TYR 30 -32.958 1.424 4.425 270 2HB TYR 30 HB2 TYR 30 -31.211 1.529 4.266 271 HD1 TYR 30 HD1 TYR 30 -34.151 3.687 5.099 272 HD2 TYR 30 HD2 TYR 30 -30.295 3.482 3.315 273 HE1 TYR 30 HE1 TYR 30 -34.369 6.010 4.356 274 HE2 TYR 30 HE2 TYR 30 -30.513 5.808 2.577 275 HH TYR 30 HH TYR 30 -32.440 7.401 2.053 276 H HIS 31 HN HIS 31 -32.561 1.003 8.531 277 HA HIS 31 HA HIS 31 -31.581 -1.731 7.924 278 1HB HIS 31 HB1 HIS 31 -31.637 -2.081 10.301 279 2HB HIS 31 HB2 HIS 31 -32.796 -0.778 10.547 280 HD1 HIS 31 HD1 HIS 31 -29.236 -1.244 9.712 281 HD2 HIS 31 HD2 HIS 31 -31.709 1.755 10.870 282 HE1 HIS 31 HE1 HIS 31 -27.765 0.625 10.192 283 H CYS 32 HN CYS 32 -32.868 -3.537 7.840 284 HA CYS 32 HA CYS 32 -35.611 -3.211 7.108 285 1HB CYS 32 HB1 CYS 32 -33.880 -5.566 7.914 286 2HB CYS 32 HB2 CYS 32 -34.526 -5.190 6.338 287 H THR 33 HN THR 33 -37.506 -3.887 8.233 288 HA THR 33 HA THR 33 -37.394 -3.209 11.079 289 HB THR 33 HB THR 33 -39.849 -4.258 9.577 290 HG1 THR 33 HG1 THR 33 -39.720 -1.651 9.492 291 1HG2 THR 33 HG21 THR 33 -40.983 -2.588 11.038 292 2HG2 THR 33 HG22 THR 33 -39.428 -2.021 11.637 293 3HG2 THR 33 HG23 THR 33 -40.001 -3.631 12.063 294 OH TYR 34 OH TYR 34 -43.134 -6.804 9.495 295 H TYR 34 HN TYR 34 -36.407 -5.847 9.713 296 HA TYR 34 HA TYR 34 -37.375 -7.575 11.932 297 1HB TYR 34 HB1 TYR 34 -37.685 -9.468 10.330 298 2HB TYR 34 HB2 TYR 34 -37.249 -8.417 8.990 299 HD1 TYR 34 HD2 TYR 34 -38.743 -6.435 8.461 300 HD2 TYR 34 HD1 TYR 34 -39.900 -9.460 11.216 301 HE1 TYR 34 HE2 TYR 34 -41.085 -5.740 8.241 302 HE2 TYR 34 HE1 TYR 34 -42.240 -8.761 10.998 303 HH TYR 34 HH TYR 34 -43.357 -6.293 10.277 304 H CYS 35 HN CYS 35 -35.352 -7.850 9.030 305 HA CYS 35 HA CYS 35 -33.368 -9.472 10.350 306 1HB CYS 35 HB1 CYS 35 -32.108 -9.203 8.296 307 2HB CYS 35 HB2 CYS 35 -32.979 -7.756 7.879 308 H ASN 36 HN ASN 36 -31.009 -8.751 10.106 309 HA ASN 36 HA ASN 36 -30.755 -6.157 11.546 310 1HB ASN 36 HB1 ASN 36 -28.701 -8.406 11.225 311 2HB ASN 36 HB2 ASN 36 -29.833 -8.321 12.573 312 1HD2 ASN 36 HD21 ASN 36 -29.726 -6.225 13.891 313 2HD2 ASN 36 HD22 ASN 36 -28.211 -5.478 14.069 314 H PHE 37 HN PHE 37 -30.761 -7.159 8.525 315 HA PHE 37 HA PHE 37 -28.229 -6.044 7.575 316 1HB PHE 37 HB1 PHE 37 -30.601 -6.539 5.773 317 2HB PHE 37 HB2 PHE 37 -29.818 -7.931 6.523 318 HD1 PHE 37 HD2 PHE 37 -27.288 -8.202 6.208 319 HD2 PHE 37 HD1 PHE 37 -29.594 -5.448 3.925 320 HE1 PHE 37 HE2 PHE 37 -25.487 -8.071 4.542 321 HE2 PHE 37 HE1 PHE 37 -27.793 -5.322 2.259 322 HZ PHE 37 HZ PHE 37 -25.739 -6.631 2.568 323 H SER 38 HN SER 38 -28.281 -4.347 5.865 324 HA SER 38 HA SER 38 -30.528 -2.488 6.000 325 1HB SER 38 HB1 SER 38 -27.778 -1.632 7.026 326 2HB SER 38 HB2 SER 38 -29.162 -1.980 8.074 327 HG SER 38 HG1 SER 38 -29.766 -0.394 5.934 328 H PHE 39 HN PHE 39 -30.033 -0.478 4.725 329 HA PHE 39 HA PHE 39 -28.057 -1.037 2.566 330 1HB PHE 39 HB1 PHE 39 -29.737 -0.588 0.905 331 2HB PHE 39 HB2 PHE 39 -30.831 0.117 2.099 332 HD1 PHE 39 HD2 PHE 39 -31.868 -1.376 3.847 333 HD2 PHE 39 HD1 PHE 39 -29.675 -2.982 0.569 334 HE1 PHE 39 HE2 PHE 39 -32.753 -3.609 4.350 335 HE2 PHE 39 HE1 PHE 39 -30.587 -5.211 1.061 336 HZ PHE 39 HZ PHE 39 -32.116 -5.526 2.959 337 H LYS 40 HN LYS 40 -27.520 0.871 1.303 338 HA LYS 40 HA LYS 40 -27.233 3.199 3.068 339 1HB LYS 40 HB1 LYS 40 -26.185 2.507 0.283 340 2HB LYS 40 HB2 LYS 40 -25.292 2.406 1.786 341 1HG LYS 40 HG1 LYS 40 -26.301 4.953 0.472 342 2HG LYS 40 HG2 LYS 40 -24.631 4.432 0.591 343 1HD LYS 40 HD1 LYS 40 -25.209 4.340 3.189 344 2HD LYS 40 HD2 LYS 40 -26.420 5.526 2.719 345 1HE LYS 40 HE1 LYS 40 -24.396 6.623 1.419 346 2HE LYS 40 HE2 LYS 40 -23.425 5.707 2.563 347 1HZ LYS 40 HZ1 LYS 40 -23.790 7.290 4.031 348 2HZ LYS 40 HZ2 LYS 40 -25.448 6.918 4.017 349 3HZ LYS 40 HZ3 LYS 40 -24.834 8.107 2.970 350 H THR 41 HN THR 41 -29.340 2.196 0.595 351 HA THR 41 HA THR 41 -30.350 5.004 0.354 352 HB THR 41 HB THR 41 -30.654 4.714 -2.039 353 HG1 THR 41 HG1 THR 41 -30.074 2.363 -2.661 354 1HG2 THR 41 HG21 THR 41 -28.224 2.925 -1.516 355 2HG2 THR 41 HG22 THR 41 -28.129 4.662 -1.236 356 3HG2 THR 41 HG23 THR 41 -28.455 4.047 -2.854 357 H LYS 42 HN LYS 42 -32.587 5.189 -0.164 358 HA LYS 42 HA LYS 42 -34.193 3.289 1.281 359 1HB LYS 42 HB1 LYS 42 -35.005 5.608 -0.533 360 2HB LYS 42 HB2 LYS 42 -34.715 5.735 1.197 361 1HG LYS 42 HG1 LYS 42 -36.505 3.646 1.080 362 2HG LYS 42 HG2 LYS 42 -37.062 4.672 -0.238 363 1HD LYS 42 HD1 LYS 42 -36.893 6.630 1.418 364 2HD LYS 42 HD2 LYS 42 -36.723 5.413 2.678 365 1HE LYS 42 HE1 LYS 42 -39.008 5.494 2.717 366 2HE LYS 42 HE2 LYS 42 -38.877 4.429 1.324 367 1HZ LYS 42 HZ1 LYS 42 -39.827 5.967 0.089 368 2HZ LYS 42 HZ2 LYS 42 -38.592 7.075 0.453 369 3HZ LYS 42 HZ3 LYS 42 -39.973 6.987 1.439 370 H GLY 43 HN GLY 43 -33.129 3.536 -1.936 371 1HA GLY 43 HA1 GLY 43 -33.758 2.394 -3.900 372 2HA GLY 43 HA2 GLY 43 -35.378 2.241 -3.221 373 H ASN 44 HN ASN 44 -32.093 0.980 -2.674 374 HA ASN 44 HA ASN 44 -32.601 -1.702 -3.140 375 1HB ASN 44 HB1 ASN 44 -30.788 -2.045 -1.261 376 2HB ASN 44 HB2 ASN 44 -30.760 -0.286 -1.181 377 1HD2 ASN 44 HD21 ASN 44 -29.098 0.526 -2.436 378 2HD2 ASN 44 HD22 ASN 44 -28.595 -0.104 -3.930 379 H LEU 45 HN LEU 45 -33.358 0.178 -0.275 380 HA LEU 45 HA LEU 45 -33.990 -1.955 1.479 381 1HB LEU 45 HB1 LEU 45 -35.198 0.851 1.193 382 2HB LEU 45 HB2 LEU 45 -33.865 0.401 2.235 383 HG LEU 45 HG LEU 45 -35.744 0.520 3.690 384 1HD1 LEU 45 HD11 LEU 45 -37.540 -1.405 2.334 385 2HD1 LEU 45 HD12 LEU 45 -37.325 0.103 1.463 386 3HD1 LEU 45 HD13 LEU 45 -37.914 0.123 3.117 387 1HD2 LEU 45 HD21 LEU 45 -35.635 -2.435 3.014 388 2HD2 LEU 45 HD22 LEU 45 -35.895 -1.687 4.584 389 3HD2 LEU 45 HD23 LEU 45 -34.316 -1.594 3.816 390 H THR 46 HN THR 46 -36.061 -0.162 -0.784 391 HA THR 46 HA THR 46 -38.468 -1.561 -0.269 392 HB THR 46 HB THR 46 -37.354 -0.188 -2.777 393 HG1 THR 46 HG1 THR 46 -38.843 1.332 -2.048 394 1HG2 THR 46 HG21 THR 46 -39.830 -0.224 -3.490 395 2HG2 THR 46 HG22 THR 46 -40.116 -1.422 -2.232 396 3HG2 THR 46 HG23 THR 46 -39.062 -1.805 -3.589 397 H LYS 47 HN LYS 47 -35.755 -2.339 -2.382 398 HA LYS 47 HA LYS 47 -36.957 -4.510 -3.766 399 1HB LYS 47 HB1 LYS 47 -34.044 -4.281 -2.857 400 2HB LYS 47 HB2 LYS 47 -34.687 -3.457 -4.270 401 1HG LYS 47 HG1 LYS 47 -34.717 -6.472 -3.846 402 2HG LYS 47 HG2 LYS 47 -33.560 -5.614 -4.854 403 1HD LYS 47 HD1 LYS 47 -35.836 -4.628 -5.915 404 2HD LYS 47 HD2 LYS 47 -36.449 -6.176 -5.346 405 1HE LYS 47 HE1 LYS 47 -34.324 -5.617 -7.395 406 2HE LYS 47 HE2 LYS 47 -35.671 -6.747 -7.474 407 1HZ LYS 47 HZ1 LYS 47 -33.862 -8.106 -7.148 408 2HZ LYS 47 HZ2 LYS 47 -34.453 -7.923 -5.567 409 3HZ LYS 47 HZ3 LYS 47 -33.099 -7.033 -6.075 410 H HIS 48 HN HIS 48 -35.301 -4.376 -0.646 411 HA HIS 48 HA HIS 48 -35.397 -7.234 -0.210 412 1HB HIS 48 HB1 HIS 48 -35.149 -4.881 1.735 413 2HB HIS 48 HB2 HIS 48 -33.819 -5.811 1.051 414 HD1 HIS 48 HD1 HIS 48 -34.354 -8.544 1.623 415 HD2 HIS 48 HD2 HIS 48 -35.694 -5.747 4.285 416 HE1 HIS 48 HE1 HIS 48 -34.687 -9.754 3.723 417 H MET 49 HN MET 49 -37.608 -4.600 0.338 418 HA MET 49 HA MET 49 -39.373 -6.264 2.011 419 1HB MET 49 HB1 MET 49 -40.875 -4.128 1.677 420 2HB MET 49 HB2 MET 49 -39.440 -3.416 0.949 421 1HG MET 49 HG1 MET 49 -39.246 -2.812 3.197 422 2HG MET 49 HG2 MET 49 -38.197 -4.196 3.050 423 1HE MET 49 HE1 MET 49 -38.038 -5.917 4.722 424 2HE MET 49 HE2 MET 49 -38.846 -5.639 6.263 425 3HE MET 49 HE3 MET 49 -37.931 -4.339 5.502 426 H LYS 50 HN LYS 50 -38.966 -5.429 -1.306 427 HA LYS 50 HA LYS 50 -41.631 -5.785 -2.242 428 1HB LYS 50 HB1 LYS 50 -39.024 -6.550 -3.649 429 2HB LYS 50 HB2 LYS 50 -39.678 -4.916 -3.605 430 1HG LYS 50 HG1 LYS 50 -41.796 -5.824 -4.645 431 2HG LYS 50 HG2 LYS 50 -40.970 -7.365 -4.846 432 1HD LYS 50 HD1 LYS 50 -39.120 -5.985 -6.037 433 2HD LYS 50 HD2 LYS 50 -40.332 -4.712 -6.142 434 1HE LYS 50 HE1 LYS 50 -41.882 -6.535 -7.133 435 2HE LYS 50 HE2 LYS 50 -40.414 -7.480 -7.353 436 1HZ LYS 50 HZ1 LYS 50 -41.263 -5.915 -9.220 437 2HZ LYS 50 HZ2 LYS 50 -39.599 -6.038 -8.902 438 3HZ LYS 50 HZ3 LYS 50 -40.480 -4.710 -8.314 439 H SER 51 HN SER 51 -38.974 -8.119 -1.889 440 HA SER 51 HA SER 51 -40.397 -10.378 -2.870 441 1HB SER 51 HB1 SER 51 -38.187 -10.204 -0.745 442 2HB SER 51 HB2 SER 51 -37.945 -10.450 -2.485 443 HG SER 51 HG1 SER 51 -38.295 -12.327 -0.784 444 H LYS 52 HN LYS 52 -41.171 -12.219 -1.571 445 HA LYS 52 HA LYS 52 -43.055 -11.273 0.439 446 1HB LYS 52 HB1 LYS 52 -42.551 -14.211 0.075 447 2HB LYS 52 HB2 LYS 52 -43.094 -13.336 -1.352 448 1HG LYS 52 HG1 LYS 52 -45.016 -12.434 -0.024 449 2HG LYS 52 HG2 LYS 52 -44.490 -13.407 1.347 450 1HD LYS 52 HD1 LYS 52 -45.967 -14.913 0.416 451 2HD LYS 52 HD2 LYS 52 -44.548 -15.333 -0.539 452 1HE LYS 52 HE1 LYS 52 -46.483 -14.975 -2.018 453 2HE LYS 52 HE2 LYS 52 -45.275 -13.725 -2.292 454 1HZ LYS 52 HZ1 LYS 52 -46.848 -12.717 -0.308 455 2HZ LYS 52 HZ2 LYS 52 -47.953 -13.478 -1.348 456 3HZ LYS 52 HZ3 LYS 52 -46.902 -12.287 -1.950 457 H ALA 53 HN ALA 53 -40.120 -11.164 0.995 458 HA ALA 53 HA ALA 53 -39.189 -13.060 2.797 459 1HB ALA 53 HB1 ALA 53 -37.822 -11.117 2.244 460 2HB ALA 53 HB2 ALA 53 -38.098 -11.050 3.982 461 3HB ALA 53 HB3 ALA 53 -39.024 -10.011 2.903 462 H HIS 54 HN HIS 54 -40.124 -10.116 4.394 463 HA HIS 54 HA HIS 54 -42.257 -11.486 5.883 464 1HB HIS 54 HB1 HIS 54 -40.612 -12.091 7.401 465 2HB HIS 54 HB2 HIS 54 -40.918 -10.469 8.005 466 HD1 HIS 54 HD1 HIS 54 -38.312 -12.474 6.579 467 HD2 HIS 54 HD2 HIS 54 -38.977 -8.455 6.956 468 HE1 HIS 54 HE1 HIS 54 -36.133 -11.417 6.244 469 H SER 55 HN SER 55 -43.609 -9.931 4.996 470 HA SER 55 HA SER 55 -43.411 -7.272 6.335 471 1HB SER 55 HB1 SER 55 -43.767 -6.107 4.283 472 2HB SER 55 HB2 SER 55 -44.456 -7.534 3.486 473 HG SER 55 HG1 SER 55 -42.079 -6.869 3.166 474 H LYS 56 HN LYS 56 -45.090 -10.009 6.015 475 HA LYS 56 HA LYS 56 -47.601 -8.678 6.827 476 1HB LYS 56 HB1 LYS 56 -48.852 -10.300 5.245 477 2HB LYS 56 HB2 LYS 56 -47.299 -10.595 4.474 478 1HG LYS 56 HG1 LYS 56 -47.085 -8.281 3.834 479 2HG LYS 56 HG2 LYS 56 -48.459 -7.816 4.831 480 1HD LYS 56 HD1 LYS 56 -49.963 -9.159 3.417 481 2HD LYS 56 HD2 LYS 56 -48.597 -9.684 2.439 482 1HE LYS 56 HE1 LYS 56 -49.616 -7.856 1.255 483 2HE LYS 56 HE2 LYS 56 -48.138 -7.222 1.967 484 1HZ LYS 56 HZ1 LYS 56 -49.907 -5.694 2.353 485 2HZ LYS 56 HZ2 LYS 56 -49.489 -6.404 3.837 486 3HZ LYS 56 HZ3 LYS 56 -50.891 -6.907 3.020 487 H LYS 57 HN LYS 57 -46.006 -11.778 6.188 488 HA LYS 57 HA LYS 57 -47.639 -13.415 7.775 489 1HB LYS 57 HB1 LYS 57 -44.619 -13.731 7.697 490 2HB LYS 57 HB2 LYS 57 -45.580 -13.995 6.246 491 1HG LYS 57 HG1 LYS 57 -46.932 -15.685 7.434 492 2HG LYS 57 HG2 LYS 57 -46.000 -15.407 8.902 493 1HD LYS 57 HD1 LYS 57 -44.487 -16.062 6.406 494 2HD LYS 57 HD2 LYS 57 -45.363 -17.370 7.193 495 1HE LYS 57 HE1 LYS 57 -44.209 -16.910 9.308 496 2HE LYS 57 HE2 LYS 57 -43.391 -15.530 8.588 497 1HZ LYS 57 HZ1 LYS 57 -43.006 -17.865 7.026 498 2HZ LYS 57 HZ2 LYS 57 -42.518 -18.132 8.631 499 3HZ LYS 57 LYS 57 -41.851 -16.847 7.744 Start of MODEL 28 Raw file had 499 H/Q atoms Start of MODEL 28 1 1H LYS 1 HT1 LYS 1 -8.429 -3.704 -9.306 2 2H LYS 1 HT2 LYS 1 -7.642 -3.925 -10.795 3 3H LYS 1 HT3 LYS 1 -9.118 -4.708 -10.491 4 HA LYS 1 HA LYS 1 -8.581 -1.895 -11.129 5 1HB LYS 1 HB1 LYS 1 -10.640 -2.261 -12.521 6 2HB LYS 1 HB2 LYS 1 -10.779 -3.892 -11.876 7 1HG LYS 1 HG1 LYS 1 -8.131 -3.191 -13.025 8 2HG LYS 1 HG2 LYS 1 -9.453 -3.305 -14.180 9 1HD LYS 1 HD1 LYS 1 -9.983 -5.558 -13.437 10 2HD LYS 1 HD2 LYS 1 -8.818 -5.445 -12.124 11 1HE LYS 1 HE1 LYS 1 -8.200 -5.403 -15.096 12 2HE LYS 1 HE2 LYS 1 -7.812 -6.693 -13.966 13 1HZ LYS 1 HZ1 LYS 1 -5.853 -5.509 -14.150 14 2HZ LYS 1 HZ2 LYS 1 -6.530 -4.889 -12.721 15 3HZ LYS 1 HZ3 LYS 1 -6.632 -4.000 -14.165 16 OH TYR 2 OH TYR 2 -7.936 2.661 -9.093 17 H TYR 2 HN TYR 2 -11.816 -2.594 -11.035 18 HA TYR 2 HA TYR 2 -12.195 -1.822 -8.210 19 1HB TYR 2 HB1 TYR 2 -13.533 0.176 -8.838 20 2HB TYR 2 HB2 TYR 2 -13.206 -0.124 -10.543 21 HD1 TYR 2 HD2 TYR 2 -11.544 0.609 -7.292 22 HD2 TYR 2 HD1 TYR 2 -11.171 0.642 -11.528 23 HE1 TYR 2 HE2 TYR 2 -9.441 1.850 -7.098 24 HE2 TYR 2 HE1 TYR 2 -9.071 1.891 -11.333 25 HH TYR 2 HH TYR 2 -8.053 3.504 -9.538 26 H ILE 3 HN ILE 3 -12.983 -4.120 -8.722 27 HA ILE 3 HA ILE 3 -15.887 -3.968 -9.432 28 HB ILE 3 HB ILE 3 -14.093 -6.413 -9.748 29 1HG1 ILE 3 HG11 ILE 3 -13.179 -4.636 -11.168 30 2HG1 ILE 3 HG12 ILE 3 -14.782 -4.292 -11.813 31 1HG2 ILE 3 HG21 ILE 3 -16.694 -6.514 -9.688 32 2HG2 ILE 3 HG22 ILE 3 -15.927 -7.245 -11.092 33 3HG2 ILE 3 HG23 ILE 3 -16.657 -5.647 -11.220 34 1HD1 ILE 3 HD1 ILE 3 -14.850 -6.259 -13.059 35 2HD1 ILE 3 HD2 ILE 3 -13.743 -7.102 -11.981 36 3HD1 ILE 3 HD3 ILE 3 -13.126 -5.907 -13.118 37 H CYS 4 HN CYS 4 -16.872 -4.000 -7.447 38 HA CYS 4 HA CYS 4 -15.814 -5.179 -5.125 39 1HB CYS 4 HB1 CYS 4 -18.693 -4.804 -5.981 40 2HB CYS 4 HB2 CYS 4 -17.762 -3.759 -4.945 41 H GLU 5 HN GLU 5 -15.223 -7.168 -4.814 42 HA GLU 5 HA GLU 5 -15.910 -9.375 -6.429 43 1HB GLU 5 HB1 GLU 5 -15.131 -10.685 -4.274 44 2HB GLU 5 HB2 GLU 5 -14.784 -9.084 -3.630 45 1HG GLU 5 HG1 GLU 5 -13.414 -8.632 -5.711 46 2HG GLU 5 HG2 GLU 5 -13.638 -10.323 -6.154 47 H GLU 6 HN GLU 6 -17.686 -7.913 -3.863 48 HA GLU 6 HA GLU 6 -19.299 -10.304 -3.401 49 1HB GLU 6 HB1 GLU 6 -19.927 -7.517 -2.384 50 2HB GLU 6 HB2 GLU 6 -18.647 -8.471 -1.648 51 1HG GLU 6 HG1 GLU 6 -20.249 -10.287 -1.184 52 2HG GLU 6 HG2 GLU 6 -21.533 -9.366 -1.962 53 H CYS 7 HN CYS 7 -20.232 -6.952 -4.164 54 HA CYS 7 HA CYS 7 -22.701 -7.890 -5.404 55 1HB CYS 7 HB1 CYS 7 -23.205 -5.581 -5.707 56 2HB CYS 7 HB2 CYS 7 -21.528 -5.123 -5.722 57 H GLY 8 HN GLY 8 -19.786 -6.236 -6.567 58 1HA GLY 8 HA1 GLY 8 -20.355 -7.340 -9.289 59 2HA GLY 8 HA2 GLY 8 -18.739 -7.008 -8.674 60 H ILE 9 HN ILE 9 -20.234 -4.533 -7.428 61 HA ILE 9 HA ILE 9 -21.093 -2.798 -9.426 62 HB ILE 9 HB ILE 9 -20.926 -2.433 -6.856 63 1HG1 ILE 9 HG11 ILE 9 -20.533 -0.434 -9.033 64 2HG1 ILE 9 HG12 ILE 9 -20.318 0.135 -7.383 65 1HG2 ILE 9 HG21 ILE 9 -18.326 -2.775 -7.017 66 2HG2 ILE 9 HG22 ILE 9 -18.897 -1.462 -6.004 67 3HG2 ILE 9 HG23 ILE 9 -18.277 -1.123 -7.612 68 1HD1 ILE 9 HD1 ILE 9 -22.718 -1.546 -8.090 69 2HD1 ILE 9 HD2 ILE 9 -22.722 0.181 -8.436 70 3HD1 ILE 9 HD3 ILE 9 -22.532 -0.385 -6.779 71 NH1 ARG 10 NH1 ARG 10 -16.341 -3.491 -16.914 72 NH2 ARG 10 NH2 ARG 10 -15.914 -5.122 -15.374 73 H ARG 10 HN ARG 10 -20.180 -1.815 -11.097 74 HA ARG 10 HA ARG 10 -17.231 -2.074 -11.419 75 1HB ARG 10 HB1 ARG 10 -19.375 -1.358 -13.475 76 2HB ARG 10 HB2 ARG 10 -18.813 -2.997 -13.187 77 1HG ARG 10 HG1 ARG 10 -17.046 -0.673 -14.048 78 2HG ARG 10 HG2 ARG 10 -17.646 -1.930 -15.121 79 1HD ARG 10 HD1 ARG 10 -16.538 -3.506 -13.234 80 2HD ARG 10 HD2 ARG 10 -15.521 -2.083 -13.029 81 HE ARG 10 HE ARG 10 -14.548 -2.550 -15.128 82 1HH1 ARG 10 HH11 ARG 10 -16.308 -2.524 -17.170 83 2HH1 ARG 10 HH12 ARG 10 -16.715 -4.164 -17.552 84 1HH2 ARG 10 HH21 ARG 10 -15.562 -5.380 -14.474 85 2HH2 ARG 10 HH22 ARG 10 -16.282 -5.823 -15.986 86 H ABA 11 HN ABU 11 -16.272 -0.319 -10.579 87 HA ABA 11 HA ABU 11 -17.174 2.342 -11.597 88 1HB ABA 11 HB1 ABU 11 -16.760 3.303 -9.401 89 2HB ABA 11 HB2 ABU 11 -16.055 1.810 -8.814 90 1HG ABA 11 HG1 ABU 11 -18.953 2.203 -9.629 91 2HG ABA 11 HG2 ABU 11 -18.359 2.047 -7.978 92 3HG ABA 11 HG3 ABU 11 -18.254 0.683 -9.086 93 H LYS 12 HN LYS 12 -15.540 2.352 -13.138 94 HA LYS 12 HA LYS 12 -12.854 1.669 -12.774 95 1HB LYS 12 HB1 LYS 12 -12.462 3.446 -14.610 96 2HB LYS 12 HB2 LYS 12 -14.184 3.794 -14.497 97 1HG LYS 12 HG1 LYS 12 -14.694 1.420 -14.990 98 2HG LYS 12 HG2 LYS 12 -12.972 1.076 -15.104 99 1HD LYS 12 HD1 LYS 12 -12.726 2.481 -17.035 100 2HD LYS 12 HD2 LYS 12 -14.327 3.177 -16.814 101 1HE LYS 12 HE1 LYS 12 -13.889 0.220 -17.308 102 2HE LYS 12 HE2 LYS 12 -14.146 1.369 -18.614 103 1HZ LYS 12 HZ1 LYS 12 -16.056 0.129 -17.014 104 2HZ LYS 12 HZ2 LYS 12 -16.304 1.261 -18.254 105 3HZ LYS 12 HZ3 LYS 12 -16.101 1.787 -16.652 106 H LYS 13 HN LYS 13 -14.502 4.014 -11.086 107 HA LYS 13 HA LYS 13 -12.071 5.675 -10.709 108 1HB LYS 13 HB1 LYS 13 -13.715 7.261 -9.589 109 2HB LYS 13 HB2 LYS 13 -14.997 6.138 -10.029 110 1HG LYS 13 HG1 LYS 13 -14.407 6.375 -12.411 111 2HG LYS 13 HG2 LYS 13 -13.093 7.466 -11.988 112 1HD LYS 13 HD1 LYS 13 -15.827 8.122 -10.966 113 2HD LYS 13 HD2 LYS 13 -15.507 8.393 -12.674 114 1HE LYS 13 HE1 LYS 13 -13.565 9.787 -12.121 115 2HE LYS 13 HE2 LYS 13 -13.788 9.456 -10.408 116 1HZ LYS 13 HZ1 LYS 13 -16.001 10.494 -10.587 117 2HZ LYS 13 HZ2 LYS 13 -15.645 10.925 -12.190 118 3HZ LYS 13 HZ3 LYS 13 -14.726 11.567 -10.913 119 HA PRO 14 HA PRO 14 -11.625 3.527 -6.749 120 1HB PRO 14 HB1 PRO 14 -9.428 4.051 -6.292 121 2HB PRO 14 HB2 PRO 14 -9.946 5.612 -5.655 122 1HG PRO 14 HG1 PRO 14 -8.512 5.124 -8.098 123 2HG PRO 14 HG2 PRO 14 -9.113 6.673 -7.507 124 1HD PRO 14 HD1 PRO 14 -10.687 6.668 -9.158 125 2HD PRO 14 HD2 PRO 14 -10.136 5.067 -9.691 126 H SER 15 HN SER 15 -12.134 7.027 -6.915 127 HA SER 15 HA SER 15 -12.990 7.491 -4.283 128 1HB SER 15 HB1 SER 15 -12.760 9.316 -5.975 129 2HB SER 15 HB2 SER 15 -14.420 9.332 -5.348 130 HG SER 15 HG1 SER 15 -13.668 7.731 -7.550 131 H MET 16 HN MET 16 -14.937 6.457 -7.070 132 HA MET 16 HA MET 16 -17.365 6.204 -5.541 133 1HB MET 16 HB1 MET 16 -17.946 4.688 -7.632 134 2HB MET 16 HB2 MET 16 -16.400 5.262 -8.247 135 1HG MET 16 HG1 MET 16 -17.130 7.592 -7.877 136 2HG MET 16 HG2 MET 16 -18.674 7.014 -7.312 137 1HE MET 16 HE1 MET 16 -18.302 9.262 -10.145 138 2HE MET 16 HE2 MET 16 -19.066 8.982 -8.580 139 3HE MET 16 HE3 MET 16 -19.995 8.772 -10.065 140 H LEU 17 HN LEU 17 -15.000 3.762 -6.693 141 HA LEU 17 HA LEU 17 -16.389 1.557 -5.525 142 1HB LEU 17 HB1 LEU 17 -13.368 1.709 -5.785 143 2HB LEU 17 HB2 LEU 17 -14.370 1.605 -7.213 144 HG LEU 17 HG LEU 17 -13.531 -0.640 -6.415 145 1HD1 LEU 17 HD11 LEU 17 -13.745 0.004 -3.945 146 2HD1 LEU 17 HD12 LEU 17 -14.275 -1.612 -4.380 147 3HD1 LEU 17 HD13 LEU 17 -15.461 -0.350 -4.101 148 1HD2 LEU 17 HD21 LEU 17 -15.840 -0.179 -7.607 149 2HD2 LEU 17 HD22 LEU 17 -16.525 -0.685 -6.071 150 3HD2 LEU 17 HD23 LEU 17 -15.486 -1.778 -6.973 151 H LYS 18 HN LYS 18 -13.482 3.258 -4.414 152 HA LYS 18 HA LYS 18 -13.028 2.165 -1.966 153 1HB LYS 18 HB1 LYS 18 -12.486 4.529 -1.148 154 2HB LYS 18 HB2 LYS 18 -13.163 5.137 -2.651 155 1HG LYS 18 HG1 LYS 18 -11.044 4.885 -3.464 156 2HG LYS 18 HG2 LYS 18 -11.467 3.182 -3.570 157 1HD LYS 18 HD1 LYS 18 -9.385 3.312 -2.352 158 2HD LYS 18 HD2 LYS 18 -10.641 2.914 -1.187 159 1HE LYS 18 HE1 LYS 18 -10.526 5.766 -1.374 160 2HE LYS 18 HE2 LYS 18 -8.878 5.180 -1.192 161 1HZ LYS 18 HZ1 LYS 18 -9.475 5.246 0.967 162 2HZ LYS 18 HZ2 LYS 18 -10.057 3.689 0.618 163 3HZ LYS 18 HZ3 LYS 18 -11.127 5.008 0.651 164 H LYS 19 HN LYS 19 -15.521 4.628 -2.586 165 HA LYS 19 HA LYS 19 -16.499 4.568 0.105 166 1HB LYS 19 HB1 LYS 19 -18.651 5.397 -1.450 167 2HB LYS 19 HB2 LYS 19 -17.290 5.764 -2.500 168 1HG LYS 19 HG1 LYS 19 -17.487 6.648 0.403 169 2HG LYS 19 HG2 LYS 19 -17.897 7.664 -0.973 170 1HD LYS 19 HD1 LYS 19 -15.593 7.400 -1.852 171 2HD LYS 19 HD2 LYS 19 -15.180 6.405 -0.463 172 1HE LYS 19 HE1 LYS 19 -16.206 9.253 -0.262 173 2HE LYS 19 HE2 LYS 19 -14.502 8.819 -0.216 174 1HZ LYS 19 HZ1 LYS 19 -16.490 8.617 1.830 175 2HZ LYS 19 HZ2 LYS 19 -14.796 8.609 1.956 176 3HZ LYS 19 HZ3 LYS 19 -15.629 7.169 1.617 177 H HIS 20 HN HIS 20 -17.404 2.903 -2.871 178 HA HIS 20 HA HIS 20 -19.775 1.672 -1.915 179 1HB HIS 20 HB1 HIS 20 -17.710 0.652 -3.905 180 2HB HIS 20 HB2 HIS 20 -19.142 1.591 -4.309 181 HD1 HIS 20 HD1 HIS 20 -21.146 0.142 -4.714 182 HD2 HIS 20 HD2 HIS 20 -18.269 -1.912 -2.701 183 HE1 HIS 20 HE1 HIS 20 -21.999 -2.143 -4.506 184 H ILE 21 HN ILE 21 -16.440 0.383 -2.021 185 HA ILE 21 HA ILE 21 -17.063 -2.052 -0.721 186 HB ILE 21 HB ILE 21 -14.774 -1.084 -1.804 187 1HG1 ILE 21 HG11 ILE 21 -14.939 -3.119 0.453 188 2HG1 ILE 21 HG12 ILE 21 -13.550 -2.933 -0.609 189 1HG2 ILE 21 HG21 ILE 21 -14.170 -0.966 1.186 190 2HG2 ILE 21 HG22 ILE 21 -14.571 0.475 0.275 191 3HG2 ILE 21 HG23 ILE 21 -13.146 -0.445 -0.146 192 1HD1 ILE 21 HD1 ILE 21 -14.573 -4.373 -2.026 193 2HD1 ILE 21 HD2 ILE 21 -15.747 -3.104 -2.355 194 3HD1 ILE 21 HD3 ILE 21 -16.074 -4.302 -1.109 195 NH1 ARG 22 NH1 ARG 22 -12.257 5.760 2.485 196 NH2 ARG 22 NH2 ARG 22 -11.994 5.413 4.728 197 H ARG 22 HN ARG 22 -16.549 1.161 0.554 198 HA ARG 22 HA ARG 22 -16.367 0.266 3.331 199 1HB ARG 22 HB1 ARG 22 -16.928 2.820 3.674 200 2HB ARG 22 HB2 ARG 22 -16.766 2.937 1.925 201 1HG ARG 22 HG1 ARG 22 -14.490 1.982 2.069 202 2HG ARG 22 HG2 ARG 22 -14.651 1.847 3.816 203 1HD ARG 22 HD1 ARG 22 -15.059 4.349 3.882 204 2HD ARG 22 HD2 ARG 22 -14.641 4.398 2.170 205 HE ARG 22 HE ARG 22 -12.561 3.049 3.607 206 1HH1 ARG 22 HH11 ARG 22 -12.599 5.436 1.603 207 2HH1 ARG 22 HH12 ARG 22 -11.786 6.640 2.547 208 1HH2 ARG 22 HH21 ARG 22 -12.138 4.831 5.528 209 2HH2 ARG 22 HH22 ARG 22 -11.519 6.287 4.826 210 H THR 23 HN THR 23 -18.900 0.731 1.094 211 HA THR 23 HA THR 23 -20.952 1.422 3.013 212 HB THR 23 HB THR 23 -21.492 -0.111 0.418 213 HG1 THR 23 HG1 THR 23 -19.815 1.606 0.303 214 1HG2 THR 23 HG21 THR 23 -22.721 2.360 1.776 215 2HG2 THR 23 HG22 THR 23 -23.423 0.746 1.850 216 3HG2 THR 23 HG23 THR 23 -23.338 1.599 0.312 217 H HIS 24 HN HIS 24 -19.341 -1.521 2.186 218 HA HIS 24 HA HIS 24 -21.496 -3.269 3.118 219 1HB HIS 24 HB1 HIS 24 -19.478 -4.954 3.196 220 2HB HIS 24 HB2 HIS 24 -18.540 -3.651 2.475 221 HD1 HIS 24 HD1 HIS 24 -21.548 -5.723 1.681 222 HD2 HIS 24 HD2 HIS 24 -18.908 -3.281 -0.233 223 HE1 HIS 24 HE1 HIS 24 -22.018 -5.992 -0.727 224 H THR 25 HN THR 25 -20.020 -1.039 4.747 225 HA THR 25 HA THR 25 -19.149 -2.638 7.075 226 HB THR 25 HB THR 25 -18.588 -0.285 7.951 227 HG1 THR 25 HG1 THR 25 -18.883 1.273 6.158 228 1HG2 THR 25 HG21 THR 25 -16.770 -1.229 6.599 229 2HG2 THR 25 HG22 THR 25 -17.061 0.381 5.948 230 3HG2 THR 25 HG23 THR 25 -17.706 -1.033 5.122 231 H ASP 26 HN ASP 26 -20.419 0.330 7.881 232 HA ASP 26 HA ASP 26 -23.141 -0.630 8.425 233 1HB ASP 26 HB1 ASP 26 -22.913 -0.115 10.876 234 2HB ASP 26 HB2 ASP 26 -21.204 0.240 10.636 235 H VAL 27 HN VAL 27 -21.841 1.348 6.830 236 HA VAL 27 HA VAL 27 -22.581 3.893 8.148 237 HB VAL 27 HB VAL 27 -20.418 3.772 6.971 238 1HG1 VAL 27 HG11 VAL 27 -21.067 1.971 5.383 239 2HG1 VAL 27 HG12 VAL 27 -20.294 3.319 4.567 240 3HG1 VAL 27 HG13 VAL 27 -22.042 3.124 4.493 241 1HG2 VAL 27 HG21 VAL 27 -21.762 5.398 4.943 242 2HG2 VAL 27 HG22 VAL 27 -20.647 5.896 6.210 243 3HG2 VAL 27 HG23 VAL 27 -22.364 5.729 6.564 244 NH1 ARG 28 NH1 ARG 28 -24.317 -2.053 6.050 245 NH2 ARG 28 NH2 ARG 28 -25.478 -3.352 4.570 246 H ARG 28 HN ARG 28 -24.754 2.328 7.655 247 HA ARG 28 HA ARG 28 -26.090 3.628 5.309 248 1HB ARG 28 HB1 ARG 28 -27.726 1.624 5.687 249 2HB ARG 28 HB2 ARG 28 -26.444 0.943 6.681 250 1HG ARG 28 HG1 ARG 28 -24.884 1.160 4.739 251 2HG ARG 28 HG2 ARG 28 -26.222 1.742 3.759 252 1HD ARG 28 HD1 ARG 28 -26.944 -0.369 3.392 253 2HD ARG 28 HD2 ARG 28 -26.967 -0.711 5.120 254 HE ARG 28 HE ARG 28 -24.472 -0.943 3.481 255 1HH1 ARG 28 HH11 ARG 28 -23.948 -1.157 6.296 256 2HH1 ARG 28 HH12 ARG 28 -24.180 -2.835 6.658 257 1HH2 ARG 28 HH21 ARG 28 -25.979 -3.429 3.708 258 2HH2 ARG 28 HH22 ARG 28 -25.361 -4.156 5.154 259 HA PRO 29 HA PRO 29 -28.025 5.334 9.173 260 1HB PRO 29 HB1 PRO 29 -27.621 7.581 8.953 261 2HB PRO 29 HB2 PRO 29 -28.763 7.678 7.611 262 1HG PRO 29 HG1 PRO 29 -25.849 7.703 7.502 263 2HG PRO 29 HG2 PRO 29 -26.991 7.935 6.177 264 1HD PRO 29 HD1 PRO 29 -26.627 5.818 5.425 265 2HD PRO 29 HD2 PRO 29 -25.357 5.641 6.647 266 OH TYR 30 OH TYR 30 -29.968 10.116 2.857 267 H TYR 30 HN TYR 30 -29.204 5.050 5.887 268 HA TYR 30 HA TYR 30 -31.979 5.592 6.595 269 1HB TYR 30 HB1 TYR 30 -32.435 4.685 4.290 270 2HB TYR 30 HB2 TYR 30 -30.755 4.175 4.174 271 HD1 TYR 30 HD1 TYR 30 -32.759 7.242 4.963 272 HD2 TYR 30 HD2 TYR 30 -29.221 5.665 3.205 273 HE1 TYR 30 HE1 TYR 30 -32.133 9.488 4.211 274 HE2 TYR 30 HE2 TYR 30 -28.594 7.912 2.454 275 HH TYR 30 HH TYR 30 -30.702 10.475 2.353 276 H HIS 31 HN HIS 31 -32.548 4.239 8.282 277 HA HIS 31 HA HIS 31 -32.410 1.297 7.779 278 1HB HIS 31 HB1 HIS 31 -32.897 1.125 10.236 279 2HB HIS 31 HB2 HIS 31 -33.014 2.880 10.327 280 HD1 HIS 31 HD1 HIS 31 -30.494 0.293 9.560 281 HD2 HIS 31 HD2 HIS 31 -30.612 4.207 10.614 282 HE1 HIS 31 HE1 HIS 31 -28.179 0.896 9.973 283 H CYS 32 HN CYS 32 -34.233 0.129 7.433 284 HA CYS 32 HA CYS 32 -36.681 1.345 6.772 285 1HB CYS 32 HB1 CYS 32 -35.867 -1.432 7.635 286 2HB CYS 32 HB2 CYS 32 -36.472 -0.905 6.088 287 H THR 33 HN THR 33 -38.698 1.427 7.891 288 HA THR 33 HA THR 33 -38.322 2.051 10.745 289 HB THR 33 HB THR 33 -40.725 2.313 8.839 290 HG1 THR 33 HG1 THR 33 -38.665 3.896 9.916 291 1HG2 THR 33 HG21 THR 33 -40.411 2.695 11.814 292 2HG2 THR 33 HG22 THR 33 -41.888 2.415 10.896 293 3HG2 THR 33 HG23 THR 33 -41.177 4.025 10.950 294 OH TYR 34 OH TYR 34 -44.613 1.523 9.067 295 H TYR 34 HN TYR 34 -38.270 -0.734 9.625 296 HA TYR 34 HA TYR 34 -39.974 -1.914 11.713 297 1HB TYR 34 HB1 TYR 34 -41.148 -3.420 10.150 298 2HB TYR 34 HB2 TYR 34 -40.243 -2.772 8.789 299 HD1 TYR 34 HD2 TYR 34 -40.723 -0.490 7.949 300 HD2 TYR 34 HD1 TYR 34 -42.971 -2.142 11.157 301 HE1 TYR 34 HE2 TYR 34 -42.423 1.245 7.647 302 HE2 TYR 34 HE1 TYR 34 -44.672 -0.400 10.852 303 HH TYR 34 HH TYR 34 -44.241 2.206 8.505 304 H CYS 35 HN CYS 35 -38.436 -3.194 8.775 305 HA CYS 35 HA CYS 35 -37.286 -5.457 10.045 306 1HB CYS 35 HB1 CYS 35 -35.932 -5.665 8.039 307 2HB CYS 35 HB2 CYS 35 -36.084 -3.967 7.688 308 H ASN 36 HN ASN 36 -34.629 -5.401 9.228 309 HA ASN 36 HA ASN 36 -33.411 -3.391 11.075 310 1HB ASN 36 HB1 ASN 36 -32.685 -6.336 10.641 311 2HB ASN 36 HB2 ASN 36 -33.375 -5.648 12.109 312 1HD2 ASN 36 HD21 ASN 36 -30.485 -6.665 10.852 313 2HD2 ASN 36 HD22 ASN 36 -29.423 -5.679 11.736 314 H PHE 37 HN PHE 37 -33.748 -4.245 7.981 315 HA PHE 37 HA PHE 37 -30.975 -4.190 7.091 316 1HB PHE 37 HB1 PHE 37 -33.312 -3.507 5.300 317 2HB PHE 37 HB2 PHE 37 -33.192 -5.148 5.931 318 HD1 PHE 37 HD2 PHE 37 -30.970 -6.405 5.567 319 HD2 PHE 37 HD1 PHE 37 -31.965 -2.831 3.477 320 HE1 PHE 37 HE2 PHE 37 -29.276 -6.925 3.867 321 HE2 PHE 37 HE1 PHE 37 -30.268 -3.357 1.778 322 HZ PHE 37 HZ PHE 37 -28.924 -5.403 1.974 323 H SER 38 HN SER 38 -30.030 -2.493 5.825 324 HA SER 38 HA SER 38 -31.360 0.141 6.056 325 1HB SER 38 HB1 SER 38 -28.451 -0.228 6.871 326 2HB SER 38 HB2 SER 38 -29.761 -0.345 8.049 327 HG SER 38 HG1 SER 38 -30.299 1.703 7.709 328 H PHE 39 HN PHE 39 -30.559 1.715 4.644 329 HA PHE 39 HA PHE 39 -28.883 0.617 2.423 330 1HB PHE 39 HB1 PHE 39 -30.302 1.789 0.880 331 2HB PHE 39 HB2 PHE 39 -30.993 2.790 2.157 332 HD1 PHE 39 HD2 PHE 39 -32.491 1.710 3.888 333 HD2 PHE 39 HD1 PHE 39 -31.212 -0.387 0.407 334 HE1 PHE 39 HE2 PHE 39 -34.233 0.021 4.261 335 HE2 PHE 39 HE1 PHE 39 -32.967 -2.065 0.779 336 HZ PHE 39 HZ PHE 39 -34.475 -1.864 2.709 337 H LYS 40 HN LYS 40 -27.692 2.220 1.211 338 HA LYS 40 HA LYS 40 -26.516 4.217 3.030 339 1HB LYS 40 HB1 LYS 40 -25.793 3.184 0.253 340 2HB LYS 40 HB2 LYS 40 -25.020 2.748 1.758 341 1HG LYS 40 HG1 LYS 40 -24.970 5.494 0.449 342 2HG LYS 40 HG2 LYS 40 -23.625 4.373 0.573 343 1HD LYS 40 HD1 LYS 40 -24.049 4.478 3.133 344 2HD LYS 40 HD2 LYS 40 -24.955 5.941 2.774 345 1HE LYS 40 HE1 LYS 40 -22.031 5.385 2.226 346 2HE LYS 40 HE2 LYS 40 -22.719 6.666 3.217 347 1HZ LYS 40 HZ1 LYS 40 -22.126 6.709 0.483 348 2HZ LYS 40 HZ2 LYS 40 -22.751 7.958 1.448 349 3HZ LYS 40 HZ3 LYS 40 -23.806 6.886 0.660 350 H THR 41 HN THR 41 -28.782 4.095 0.476 351 HA THR 41 HA THR 41 -28.653 7.079 0.258 352 HB THR 41 HB THR 41 -29.068 6.921 -2.140 353 HG1 THR 41 HG1 THR 41 -30.573 5.376 -2.269 354 1HG2 THR 41 HG21 THR 41 -26.741 5.891 -1.222 355 2HG2 THR 41 HG22 THR 41 -27.177 5.662 -2.912 356 3HG2 THR 41 HG23 THR 41 -27.453 4.369 -1.748 357 H LYS 42 HN LYS 42 -30.631 8.116 -0.237 358 HA LYS 42 HA LYS 42 -32.851 6.973 1.180 359 1HB LYS 42 HB1 LYS 42 -32.701 9.437 -0.628 360 2HB LYS 42 HB2 LYS 42 -32.371 9.438 1.099 361 1HG LYS 42 HG1 LYS 42 -35.028 8.710 -0.192 362 2HG LYS 42 HG2 LYS 42 -34.675 10.211 0.650 363 1HD LYS 42 HD1 LYS 42 -33.940 8.527 2.590 364 2HD LYS 42 HD2 LYS 42 -35.076 7.466 1.766 365 1HE LYS 42 HE1 LYS 42 -36.745 9.396 1.846 366 2HE LYS 42 HE2 LYS 42 -35.625 10.208 2.933 367 1HZ LYS 42 HZ1 LYS 42 -35.782 7.828 4.089 368 2HZ LYS 42 HZ2 LYS 42 -37.333 7.913 3.405 369 3HZ LYS 42 HZ3 LYS 42 -36.809 9.123 4.477 370 H GLY 43 HN GLY 43 -31.810 6.967 -2.092 371 1HA GLY 43 HA1 GLY 43 -32.779 6.055 -4.028 372 2HA GLY 43 HA2 GLY 43 -34.328 6.615 -3.402 373 H ASN 44 HN ASN 44 -31.911 4.073 -2.800 374 HA ASN 44 HA ASN 44 -33.507 1.861 -3.258 375 1HB ASN 44 HB1 ASN 44 -32.024 0.721 -1.487 376 2HB ASN 44 HB2 ASN 44 -31.338 2.309 -1.158 377 1HD2 ASN 44 HD21 ASN 44 -30.752 3.490 -3.428 378 2HD2 ASN 44 HD22 ASN 44 -29.856 2.520 -4.495 379 H LEU 45 HN LEU 45 -33.207 3.666 -0.217 380 HA LEU 45 HA LEU 45 -34.769 2.077 1.446 381 1HB LEU 45 HB1 LEU 45 -34.677 5.133 1.207 382 2HB LEU 45 HB2 LEU 45 -33.658 4.142 2.228 383 HG LEU 45 HG LEU 45 -35.297 5.013 3.711 384 1HD1 LEU 45 HD11 LEU 45 -36.909 5.396 1.514 385 2HD1 LEU 45 HD12 LEU 45 -37.442 5.581 3.178 386 3HD1 LEU 45 HD13 LEU 45 -37.744 4.081 2.319 387 1HD2 LEU 45 HD21 LEU 45 -36.385 3.066 4.563 388 2HD2 LEU 45 HD22 LEU 45 -34.921 2.487 3.777 389 3HD2 LEU 45 HD23 LEU 45 -36.476 2.316 2.974 390 H THR 46 HN THR 46 -35.952 4.667 -0.703 391 HA THR 46 HA THR 46 -38.711 4.308 -0.171 392 HB THR 46 HB THR 46 -37.194 5.241 -2.673 393 HG1 THR 46 HG1 THR 46 -38.917 6.833 -1.246 394 1HG2 THR 46 HG21 THR 46 -40.195 5.116 -2.051 395 2HG2 THR 46 HG22 THR 46 -39.399 4.559 -3.519 396 3HG2 THR 46 HG23 THR 46 -39.533 6.283 -3.190 397 H LYS 47 HN LYS 47 -36.545 2.618 -2.362 398 HA LYS 47 HA LYS 47 -38.512 1.154 -3.808 399 1HB LYS 47 HB1 LYS 47 -35.873 -0.108 -3.045 400 2HB LYS 47 HB2 LYS 47 -35.846 1.350 -4.029 401 1HG LYS 47 HG1 LYS 47 -37.218 0.309 -5.732 402 2HG LYS 47 HG2 LYS 47 -37.504 -1.097 -4.711 403 1HD LYS 47 HD1 LYS 47 -35.120 -1.672 -4.783 404 2HD LYS 47 HD2 LYS 47 -34.777 -0.225 -5.724 405 1HE LYS 47 HE1 LYS 47 -36.879 -2.064 -6.778 406 2HE LYS 47 HE2 LYS 47 -35.211 -2.610 -6.888 407 1HZ LYS 47 HZ1 LYS 47 -36.558 -0.655 -8.430 408 2HZ LYS 47 HZ2 LYS 47 -35.031 -1.355 -8.678 409 3HZ LYS 47 HZ3 LYS 47 -35.185 0.019 -7.692 410 H HIS 48 HN HIS 48 -37.021 0.609 -0.671 411 HA HIS 48 HA HIS 48 -38.088 -2.071 -0.367 412 1HB HIS 48 HB1 HIS 48 -37.075 -0.027 1.674 413 2HB HIS 48 HB2 HIS 48 -36.140 -1.337 0.960 414 HD1 HIS 48 HD1 HIS 48 -37.696 -3.716 1.391 415 HD2 HIS 48 HD2 HIS 48 -37.851 -0.757 4.207 416 HE1 HIS 48 HE1 HIS 48 -38.436 -4.816 3.446 417 H MET 49 HN MET 49 -39.211 1.159 0.395 418 HA MET 49 HA MET 49 -41.502 0.125 1.926 419 1HB MET 49 HB1 MET 49 -42.129 2.565 2.028 420 2HB MET 49 HB2 MET 49 -40.795 2.935 0.942 421 1HG MET 49 HG1 MET 49 -39.205 1.998 2.555 422 2HG MET 49 HG2 MET 49 -40.514 1.566 3.623 423 1HE MET 49 HE1 MET 49 -41.465 4.489 5.560 424 2HE MET 49 HE2 MET 49 -40.753 2.895 5.819 425 3HE MET 49 HE3 MET 49 -42.074 3.095 4.668 426 H LYS 50 HN LYS 50 -40.750 0.786 -1.332 427 HA LYS 50 HA LYS 50 -43.400 1.498 -2.237 428 1HB LYS 50 HB1 LYS 50 -41.209 0.093 -3.834 429 2HB LYS 50 HB2 LYS 50 -41.186 1.822 -3.505 430 1HG LYS 50 HG1 LYS 50 -43.419 2.037 -4.585 431 2HG LYS 50 HG2 LYS 50 -43.391 0.319 -4.959 432 1HD LYS 50 HD1 LYS 50 -41.324 2.341 -5.901 433 2HD LYS 50 HD2 LYS 50 -42.637 1.715 -6.889 434 1HE LYS 50 HE1 LYS 50 -41.031 0.188 -7.508 435 2HE LYS 50 HE2 LYS 50 -41.573 -0.628 -6.048 436 1HZ LYS 50 HZ1 LYS 50 -39.684 1.275 -5.300 437 2HZ LYS 50 HZ2 LYS 50 -39.044 0.423 -6.623 438 3HZ LYS 50 HZ3 LYS 50 -39.551 -0.417 -5.237 439 H SER 51 HN SER 51 -41.565 -1.554 -2.497 440 HA SER 51 HA SER 51 -43.587 -3.148 -3.594 441 1HB SER 51 HB1 SER 51 -41.505 -3.897 -1.466 442 2HB SER 51 HB2 SER 51 -41.297 -4.021 -3.224 443 HG SER 51 HG1 SER 51 -42.028 -5.995 -2.230 444 H LYS 52 HN LYS 52 -44.525 -5.087 -2.188 445 HA LYS 52 HA LYS 52 -46.483 -3.831 -0.447 446 1HB LYS 52 HB1 LYS 52 -47.128 -5.760 -1.834 447 2HB LYS 52 HB2 LYS 52 -47.264 -6.234 -0.145 448 1HG LYS 52 HG1 LYS 52 -44.987 -7.254 -0.276 449 2HG LYS 52 HG2 LYS 52 -44.921 -6.834 -1.984 450 1HD LYS 52 HD1 LYS 52 -47.148 -8.134 -2.196 451 2HD LYS 52 HD2 LYS 52 -46.766 -8.791 -0.609 452 1HE LYS 52 HE1 LYS 52 -44.996 -8.958 -3.071 453 2HE LYS 52 HE2 LYS 52 -45.925 -10.284 -2.382 454 1HZ LYS 52 HZ1 LYS 52 -43.505 -10.161 -1.765 455 2HZ LYS 52 HZ2 LYS 52 -44.599 -10.312 -0.475 456 3HZ LYS 52 HZ3 LYS 52 -43.897 -8.805 -0.821 457 H ALA 53 HN ALA 53 -43.778 -3.557 0.464 458 HA ALA 53 HA ALA 53 -43.135 -5.398 2.544 459 1HB ALA 53 HB1 ALA 53 -41.473 -3.786 1.744 460 2HB ALA 53 HB2 ALA 53 -41.780 -3.421 3.439 461 3HB ALA 53 HB3 ALA 53 -42.508 -2.431 2.179 462 H HIS 54 HN HIS 54 -43.195 -2.447 4.056 463 HA HIS 54 HA HIS 54 -45.896 -2.694 5.158 464 1HB HIS 54 HB1 HIS 54 -45.019 -4.187 6.701 465 2HB HIS 54 HB2 HIS 54 -44.586 -2.695 7.523 466 HD1 HIS 54 HD1 HIS 54 -43.071 -5.659 6.657 467 HD2 HIS 54 HD2 HIS 54 -41.798 -1.787 6.318 468 HE1 HIS 54 HE1 HIS 54 -40.638 -5.788 6.486 469 H SER 55 HN SER 55 -46.187 -0.590 4.456 470 HA SER 55 HA SER 55 -44.806 1.457 6.144 471 1HB SER 55 HB1 SER 55 -45.383 1.546 3.135 472 2HB SER 55 HB2 SER 55 -43.803 1.689 3.929 473 HG SER 55 HG1 SER 55 -45.846 3.535 3.675 474 H LYS 56 HN LYS 56 -47.693 0.175 4.885 475 HA LYS 56 HA LYS 56 -49.219 2.651 5.514 476 1HB LYS 56 HB1 LYS 56 -51.100 1.497 4.402 477 2HB LYS 56 HB2 LYS 56 -50.184 0.000 4.328 478 1HG LYS 56 HG1 LYS 56 -48.897 2.418 3.135 479 2HG LYS 56 HG2 LYS 56 -50.280 1.762 2.269 480 1HD LYS 56 HD1 LYS 56 -48.189 -0.176 3.194 481 2HD LYS 56 HD2 LYS 56 -47.795 0.859 1.831 482 1HE LYS 56 HE1 LYS 56 -48.832 -1.278 1.093 483 2HE LYS 56 HE2 LYS 56 -49.806 0.114 0.639 484 1HZ LYS 56 HZ1 LYS 56 -51.161 -1.641 1.563 485 2HZ LYS 56 HZ2 LYS 56 -51.203 -0.271 2.564 486 3HZ LYS 56 HZ3 LYS 56 -50.264 -1.616 3.004 487 H LYS 57 HN LYS 57 -48.179 1.600 7.756 488 HA LYS 57 HA LYS 57 -50.584 0.691 9.149 489 1HB LYS 57 HB1 LYS 57 -49.051 -1.073 10.339 490 2HB LYS 57 HB2 LYS 57 -47.982 -0.862 8.958 491 1HG LYS 57 HG1 LYS 57 -49.763 -1.517 7.421 492 2HG LYS 57 HG2 LYS 57 -50.921 -1.594 8.744 493 1HD LYS 57 HD1 LYS 57 -49.469 -3.360 9.814 494 2HD LYS 57 HD2 LYS 57 -48.479 -3.356 8.360 495 1HE LYS 57 HE1 LYS 57 -50.836 -3.672 7.164 496 2HE LYS 57 HE2 LYS 57 -51.294 -4.318 8.735 497 1HZ LYS 57 HZ1 LYS 57 -50.347 -5.901 6.986 498 2HZ LYS 57 HZ2 LYS 57 -49.769 -6.023 8.578 499 3HZ LYS 57 LYS 57 -48.838 -5.238 7.394 Start of MODEL 29 Raw file had 499 H/Q atoms Start of MODEL 29 1 1H LYS 1 HT1 LYS 1 -8.162 -2.513 -10.833 2 2H LYS 1 HT2 LYS 1 -7.415 -3.768 -9.966 3 3H LYS 1 HT3 LYS 1 -8.243 -2.539 -9.137 4 HA LYS 1 HA LYS 1 -9.859 -3.890 -11.090 5 1HB LYS 1 HB1 LYS 1 -9.049 -5.394 -8.558 6 2HB LYS 1 HB2 LYS 1 -8.332 -5.739 -10.129 7 1HG LYS 1 HG1 LYS 1 -10.566 -6.227 -11.055 8 2HG LYS 1 HG2 LYS 1 -11.303 -5.845 -9.503 9 1HD LYS 1 HD1 LYS 1 -10.817 -7.897 -8.682 10 2HD LYS 1 HD2 LYS 1 -9.137 -7.769 -9.192 11 1HE LYS 1 HE1 LYS 1 -10.299 -9.652 -10.327 12 2HE LYS 1 HE2 LYS 1 -9.757 -8.436 -11.476 13 1HZ LYS 1 HZ1 LYS 1 -11.870 -7.728 -11.876 14 2HZ LYS 1 HZ2 LYS 1 -12.459 -8.222 -10.361 15 3HZ LYS 1 HZ3 LYS 1 -12.163 -9.373 -11.575 16 OH TYR 2 OH TYR 2 -7.467 2.574 -8.440 17 H TYR 2 HN TYR 2 -11.001 -1.948 -10.505 18 HA TYR 2 HA TYR 2 -11.940 -1.725 -7.721 19 1HB TYR 2 HB1 TYR 2 -13.144 0.281 -8.600 20 2HB TYR 2 HB2 TYR 2 -12.656 -0.148 -10.236 21 HD1 TYR 2 HD2 TYR 2 -11.330 0.792 -6.891 22 HD2 TYR 2 HD1 TYR 2 -10.489 0.435 -11.044 23 HE1 TYR 2 HE2 TYR 2 -9.221 2.001 -6.569 24 HE2 TYR 2 HE1 TYR 2 -8.376 1.634 -10.720 25 HH TYR 2 HH TYR 2 -7.087 2.288 -7.607 26 H ILE 3 HN ILE 3 -12.744 -4.115 -8.603 27 HA ILE 3 HA ILE 3 -15.643 -3.743 -9.233 28 HB ILE 3 HB ILE 3 -13.990 -6.262 -9.682 29 1HG1 ILE 3 HG11 ILE 3 -12.964 -4.508 -11.014 30 2HG1 ILE 3 HG12 ILE 3 -14.535 -3.953 -11.579 31 1HG2 ILE 3 HG21 ILE 3 -16.631 -6.137 -9.625 32 2HG2 ILE 3 HG22 ILE 3 -15.874 -6.966 -10.981 33 3HG2 ILE 3 HG23 ILE 3 -16.469 -5.321 -11.178 34 1HD1 ILE 3 HD1 ILE 3 -14.836 -5.801 -12.973 35 2HD1 ILE 3 HD2 ILE 3 -13.768 -6.823 -12.018 36 3HD1 ILE 3 HD3 ILE 3 -13.091 -5.591 -13.077 37 H CYS 4 HN CYS 4 -16.792 -3.959 -7.391 38 HA CYS 4 HA CYS 4 -15.848 -5.199 -5.044 39 1HB CYS 4 HB1 CYS 4 -18.662 -4.777 -6.065 40 2HB CYS 4 HB2 CYS 4 -17.796 -3.782 -4.929 41 H GLU 5 HN GLU 5 -15.344 -7.206 -4.691 42 HA GLU 5 HA GLU 5 -15.942 -9.345 -6.454 43 1HB GLU 5 HB1 GLU 5 -15.220 -10.734 -4.332 44 2HB GLU 5 HB2 GLU 5 -14.897 -9.158 -3.617 45 1HG GLU 5 HG1 GLU 5 -12.835 -9.874 -4.633 46 2HG GLU 5 HG2 GLU 5 -13.504 -8.638 -5.695 47 H GLU 6 HN GLU 6 -17.831 -7.957 -3.937 48 HA GLU 6 HA GLU 6 -19.424 -10.387 -3.604 49 1HB GLU 6 HB1 GLU 6 -19.972 -7.606 -2.486 50 2HB GLU 6 HB2 GLU 6 -18.907 -8.759 -1.696 51 1HG GLU 6 HG1 GLU 6 -20.720 -9.698 -0.716 52 2HG GLU 6 HG2 GLU 6 -21.318 -10.154 -2.308 53 H CYS 7 HN CYS 7 -20.374 -7.012 -4.276 54 HA CYS 7 HA CYS 7 -22.808 -7.912 -5.590 55 1HB CYS 7 HB1 CYS 7 -23.262 -5.598 -5.941 56 2HB CYS 7 HB2 CYS 7 -21.577 -5.171 -5.902 57 H GLY 8 HN GLY 8 -19.807 -6.379 -6.703 58 1HA GLY 8 HA1 GLY 8 -20.347 -7.506 -9.417 59 2HA GLY 8 HA2 GLY 8 -18.744 -7.152 -8.785 60 H ILE 9 HN ILE 9 -20.132 -4.610 -7.625 61 HA ILE 9 HA ILE 9 -20.947 -2.992 -9.791 62 HB ILE 9 HB ILE 9 -21.046 -2.534 -7.217 63 1HG1 ILE 9 HG11 ILE 9 -20.606 -0.627 -9.456 64 2HG1 ILE 9 HG12 ILE 9 -20.504 0.045 -7.833 65 1HG2 ILE 9 HG21 ILE 9 -18.436 -2.721 -7.098 66 2HG2 ILE 9 HG22 ILE 9 -19.167 -1.373 -6.248 67 3HG2 ILE 9 HG23 ILE 9 -18.405 -1.114 -7.810 68 1HD1 ILE 9 HD1 ILE 9 -22.844 -0.008 -8.919 69 2HD1 ILE 9 HD2 ILE 9 -22.716 -0.660 -7.288 70 3HD1 ILE 9 HD3 ILE 9 -22.792 -1.751 -8.669 71 NH1 ARG 10 NH1 ARG 10 -17.632 -5.821 -15.385 72 NH2 ARG 10 NH2 ARG 10 -18.256 -4.971 -17.412 73 H ARG 10 HN ARG 10 -19.872 -2.155 -11.445 74 HA ARG 10 HA ARG 10 -16.903 -2.312 -11.410 75 1HB ARG 10 HB1 ARG 10 -18.844 -1.787 -13.712 76 2HB ARG 10 HB2 ARG 10 -18.206 -3.371 -13.293 77 1HG ARG 10 HG1 ARG 10 -15.900 -1.874 -13.460 78 2HG ARG 10 HG2 ARG 10 -16.897 -1.128 -14.702 79 1HD ARG 10 HD1 ARG 10 -16.093 -4.040 -14.474 80 2HD ARG 10 HD2 ARG 10 -15.752 -2.924 -15.796 81 HE ARG 10 HE ARG 10 -18.483 -2.956 -15.789 82 1HH1 ARG 10 HH11 ARG 10 -17.346 -5.660 -14.440 83 2HH1 ARG 10 HH12 ARG 10 -17.728 -6.757 -15.727 84 1HH2 ARG 10 HH21 ARG 10 -18.438 -4.172 -17.986 85 2HH2 ARG 10 HH22 ARG 10 -18.362 -5.891 -17.787 86 H ABA 11 HN ABU 11 -16.178 -0.473 -10.441 87 HA ABA 11 HA ABU 11 -17.144 2.131 -11.581 88 1HB ABA 11 HB1 ABU 11 -16.387 3.127 -9.443 89 2HB ABA 11 HB2 ABU 11 -15.807 1.570 -8.895 90 1HG ABA 11 HG1 ABU 11 -17.965 1.819 -7.898 91 2HG ABA 11 HG2 ABU 11 -18.210 0.724 -9.254 92 3HG ABA 11 HG3 ABU 11 -18.668 2.417 -9.398 93 H LYS 12 HN LYS 12 -15.775 2.699 -13.117 94 HA LYS 12 HA LYS 12 -13.050 1.947 -13.284 95 1HB LYS 12 HB1 LYS 12 -12.998 3.986 -14.916 96 2HB LYS 12 HB2 LYS 12 -14.710 4.150 -14.548 97 1HG LYS 12 HG1 LYS 12 -14.857 2.713 -16.359 98 2HG LYS 12 HG2 LYS 12 -14.699 1.527 -15.068 99 1HD LYS 12 HD1 LYS 12 -13.021 0.792 -16.499 100 2HD LYS 12 HD2 LYS 12 -12.098 1.906 -15.498 101 1HE LYS 12 HE1 LYS 12 -12.752 3.712 -17.232 102 2HE LYS 12 HE2 LYS 12 -13.219 2.370 -18.268 103 1HZ LYS 12 HZ1 LYS 12 -11.109 2.255 -18.864 104 2HZ LYS 12 HZ2 LYS 12 -10.741 1.702 -17.301 105 3HZ LYS 12 HZ3 LYS 12 -10.627 3.357 -17.665 106 H LYS 13 HN LYS 13 -14.171 3.687 -10.839 107 HA LYS 13 HA LYS 13 -11.637 5.199 -10.642 108 1HB LYS 13 HB1 LYS 13 -13.149 7.090 -9.585 109 2HB LYS 13 HB2 LYS 13 -14.452 6.286 -10.461 110 1HG LYS 13 HG1 LYS 13 -13.138 6.496 -12.565 111 2HG LYS 13 HG2 LYS 13 -11.877 7.349 -11.680 112 1HD LYS 13 HD1 LYS 13 -13.467 9.124 -11.077 113 2HD LYS 13 HD2 LYS 13 -14.769 8.258 -11.886 114 1HE LYS 13 HE1 LYS 13 -13.535 8.424 -14.033 115 2HE LYS 13 HE2 LYS 13 -12.253 9.314 -13.219 116 1HZ LYS 13 HZ1 LYS 13 -14.998 10.162 -13.832 117 2HZ LYS 13 HZ2 LYS 13 -13.534 10.985 -14.082 118 3HZ LYS 13 HZ3 LYS 13 -14.180 10.859 -12.516 119 HA PRO 14 HA PRO 14 -11.594 3.678 -6.479 120 1HB PRO 14 HB1 PRO 14 -9.570 4.591 -5.850 121 2HB PRO 14 HB2 PRO 14 -10.449 5.992 -5.239 122 1HG PRO 14 HG1 PRO 14 -8.660 5.987 -7.435 123 2HG PRO 14 HG2 PRO 14 -9.779 7.287 -7.017 124 1HD PRO 14 HD1 PRO 14 -10.887 6.834 -8.974 125 2HD PRO 14 HD2 PRO 14 -9.930 5.359 -9.213 126 H SER 15 HN SER 15 -11.973 7.195 -6.059 127 HA SER 15 HA SER 15 -13.516 7.430 -3.864 128 1HB SER 15 HB1 SER 15 -13.018 9.350 -5.411 129 2HB SER 15 HB2 SER 15 -14.745 9.333 -5.006 130 HG SER 15 HG1 SER 15 -13.589 9.012 -7.395 131 H MET 16 HN MET 16 -14.862 6.460 -7.001 132 HA MET 16 HA MET 16 -17.539 6.154 -6.007 133 1HB MET 16 HB1 MET 16 -17.646 4.585 -8.127 134 2HB MET 16 HB2 MET 16 -16.006 5.155 -8.422 135 1HG MET 16 HG1 MET 16 -17.415 6.636 -9.613 136 2HG MET 16 HG2 MET 16 -16.872 7.502 -8.201 137 1HE MET 16 HE1 MET 16 -19.369 7.632 -10.477 138 2HE MET 16 HE2 MET 16 -20.935 7.175 -9.807 139 3HE MET 16 HE3 MET 16 -19.732 5.936 -10.161 140 H LEU 17 HN LEU 17 -14.917 3.797 -6.603 141 HA LEU 17 HA LEU 17 -16.449 1.593 -5.532 142 1HB LEU 17 HB1 LEU 17 -13.411 1.737 -5.618 143 2HB LEU 17 HB2 LEU 17 -14.332 1.576 -7.095 144 HG LEU 17 HG LEU 17 -13.530 -0.630 -6.178 145 1HD1 LEU 17 HD11 LEU 17 -15.572 -0.262 -3.981 146 2HD1 LEU 17 HD12 LEU 17 -13.868 0.108 -3.755 147 3HD1 LEU 17 HD13 LEU 17 -14.369 -1.528 -4.152 148 1HD2 LEU 17 HD21 LEU 17 -15.460 -1.820 -6.751 149 2HD2 LEU 17 HD22 LEU 17 -15.756 -0.269 -7.513 150 3HD2 LEU 17 HD23 LEU 17 -16.541 -0.660 -5.996 151 H LYS 18 HN LYS 18 -13.573 3.301 -4.303 152 HA LYS 18 HA LYS 18 -13.213 2.346 -1.803 153 1HB LYS 18 HB1 LYS 18 -12.789 4.774 -1.066 154 2HB LYS 18 HB2 LYS 18 -13.422 5.279 -2.629 155 1HG LYS 18 HG1 LYS 18 -11.676 4.099 -3.803 156 2HG LYS 18 HG2 LYS 18 -11.137 3.313 -2.326 157 1HD LYS 18 HD1 LYS 18 -10.621 5.602 -1.387 158 2HD LYS 18 HD2 LYS 18 -10.977 6.272 -2.974 159 1HE LYS 18 HE1 LYS 18 -8.796 5.877 -3.459 160 2HE LYS 18 HE2 LYS 18 -9.248 4.180 -3.555 161 1HZ LYS 18 HZ1 LYS 18 -8.875 4.905 -0.862 162 2HZ LYS 18 HZ2 LYS 18 -7.510 5.371 -1.759 163 3HZ LYS 18 HZ3 LYS 18 -8.031 3.755 -1.785 164 H LYS 19 HN LYS 19 -15.822 4.593 -2.655 165 HA LYS 19 HA LYS 19 -16.876 4.636 0.021 166 1HB LYS 19 HB1 LYS 19 -18.392 5.240 -2.553 167 2HB LYS 19 HB2 LYS 19 -17.249 6.383 -1.856 168 1HG LYS 19 HG1 LYS 19 -18.560 6.248 0.305 169 2HG LYS 19 HG2 LYS 19 -19.765 5.294 -0.553 170 1HD LYS 19 HD1 LYS 19 -18.880 8.104 -1.297 171 2HD LYS 19 HD2 LYS 19 -20.400 7.685 -0.518 172 1HE LYS 19 HE1 LYS 19 -20.609 6.039 -2.608 173 2HE LYS 19 HE2 LYS 19 -19.525 7.213 -3.343 174 1HZ LYS 19 HZ1 LYS 19 -22.256 7.612 -2.317 175 2HZ LYS 19 HZ2 LYS 19 -21.609 8.027 -3.831 176 3HZ LYS 19 HZ3 LYS 19 -21.187 8.925 -2.452 177 H HIS 20 HN HIS 20 -17.689 2.934 -2.960 178 HA HIS 20 HA HIS 20 -20.024 1.615 -2.067 179 1HB HIS 20 HB1 HIS 20 -17.833 0.648 -3.959 180 2HB HIS 20 HB2 HIS 20 -19.260 1.563 -4.439 181 HD1 HIS 20 HD1 HIS 20 -21.159 0.063 -5.045 182 HD2 HIS 20 HD2 HIS 20 -18.473 -1.915 -2.723 183 HE1 HIS 20 HE1 HIS 20 -21.998 -2.232 -4.887 184 H ILE 21 HN ILE 21 -16.673 0.402 -2.124 185 HA ILE 21 HA ILE 21 -17.235 -2.020 -0.771 186 HB ILE 21 HB ILE 21 -15.080 -1.550 -1.920 187 1HG1 ILE 21 HG11 ILE 21 -15.150 -2.506 0.904 188 2HG1 ILE 21 HG12 ILE 21 -13.567 -2.131 0.248 189 1HG2 ILE 21 HG21 ILE 21 -13.416 -0.064 -0.809 190 2HG2 ILE 21 HG22 ILE 21 -14.579 0.308 0.457 191 3HG2 ILE 21 HG23 ILE 21 -14.881 0.818 -1.197 192 1HD1 ILE 21 HD1 ILE 21 -14.452 -4.524 -0.121 193 2HD1 ILE 21 HD2 ILE 21 -13.821 -3.682 -1.533 194 3HD1 ILE 21 HD3 ILE 21 -15.559 -3.805 -1.285 195 NH1 ARG 22 NH1 ARG 22 -15.546 6.683 2.831 196 NH2 ARG 22 NH2 ARG 22 -14.469 6.665 0.816 197 H ARG 22 HN ARG 22 -16.697 1.229 0.466 198 HA ARG 22 HA ARG 22 -16.480 0.356 3.241 199 1HB ARG 22 HB1 ARG 22 -17.088 2.902 3.584 200 2HB ARG 22 HB2 ARG 22 -16.934 3.012 1.835 201 1HG ARG 22 HG1 ARG 22 -14.645 2.095 1.971 202 2HG ARG 22 HG2 ARG 22 -14.799 1.952 3.717 203 1HD ARG 22 HD1 ARG 22 -13.596 4.029 3.112 204 2HD ARG 22 HD2 ARG 22 -15.137 4.407 3.880 205 HE ARG 22 HE ARG 22 -15.394 4.269 0.997 206 1HH1 ARG 22 HH11 ARG 22 -15.970 6.174 3.580 207 2HH1 ARG 22 HH12 ARG 22 -15.516 7.681 2.861 208 1HH2 ARG 22 HH21 ARG 22 -14.086 6.144 0.054 209 2HH2 ARG 22 HH22 ARG 22 -14.421 7.664 0.812 210 H THR 23 HN THR 23 -19.101 0.756 1.077 211 HA THR 23 HA THR 23 -21.055 1.401 3.118 212 HB THR 23 HB THR 23 -21.604 0.067 0.397 213 HG1 THR 23 HG1 THR 23 -20.549 1.800 -0.223 214 1HG2 THR 23 HG21 THR 23 -23.175 1.715 2.418 215 2HG2 THR 23 HG22 THR 23 -23.755 0.422 1.379 216 3HG2 THR 23 HG23 THR 23 -23.477 2.028 0.714 217 H HIS 24 HN HIS 24 -19.536 -1.525 2.059 218 HA HIS 24 HA HIS 24 -21.662 -3.300 2.974 219 1HB HIS 24 HB1 HIS 24 -19.626 -4.978 3.009 220 2HB HIS 24 HB2 HIS 24 -18.711 -3.652 2.301 221 HD1 HIS 24 HD1 HIS 24 -21.872 -5.535 1.514 222 HD2 HIS 24 HD2 HIS 24 -18.939 -3.466 -0.409 223 HE1 HIS 24 HE1 HIS 24 -22.340 -5.797 -0.900 224 H THR 25 HN THR 25 -19.996 -1.146 4.654 225 HA THR 25 HA THR 25 -19.267 -2.873 6.934 226 HB THR 25 HB THR 25 -18.470 -0.632 7.861 227 HG1 THR 25 HG1 THR 25 -19.900 0.095 5.575 228 1HG2 THR 25 HG21 THR 25 -16.864 -0.045 6.007 229 2HG2 THR 25 HG22 THR 25 -17.793 -1.057 4.905 230 3HG2 THR 25 HG23 THR 25 -16.912 -1.790 6.242 231 H ASP 26 HN ASP 26 -20.235 0.123 7.917 232 HA ASP 26 HA ASP 26 -23.046 -0.588 8.415 233 1HB ASP 26 HB1 ASP 26 -22.616 0.002 10.924 234 2HB ASP 26 HB2 ASP 26 -20.908 -0.248 10.567 235 H VAL 27 HN VAL 27 -21.515 1.323 6.929 236 HA VAL 27 HA VAL 27 -21.937 3.868 8.359 237 HB VAL 27 HB VAL 27 -19.885 3.565 7.028 238 1HG1 VAL 27 HG11 VAL 27 -20.843 1.910 5.429 239 2HG1 VAL 27 HG12 VAL 27 -19.968 3.192 4.611 240 3HG1 VAL 27 HG13 VAL 27 -21.725 3.205 4.644 241 1HG2 VAL 27 HG21 VAL 27 -21.167 5.411 5.156 242 2HG2 VAL 27 HG22 VAL 27 -19.925 5.730 6.360 243 3HG2 VAL 27 HG23 VAL 27 -21.623 5.737 6.824 244 NH1 ARG 28 NH1 ARG 28 -25.545 -2.503 4.463 245 NH2 ARG 28 NH2 ARG 28 -25.506 -2.111 2.212 246 H ARG 28 HN ARG 28 -24.307 2.605 7.989 247 HA ARG 28 HA ARG 28 -25.641 4.119 5.776 248 1HB ARG 28 HB1 ARG 28 -27.463 2.316 6.191 249 2HB ARG 28 HB2 ARG 28 -26.249 1.479 7.153 250 1HG ARG 28 HG1 ARG 28 -24.741 1.832 5.018 251 2HG ARG 28 HG2 ARG 28 -26.283 2.009 4.196 252 1HD ARG 28 HD1 ARG 28 -26.937 -0.186 5.458 253 2HD ARG 28 HD2 ARG 28 -25.198 -0.390 5.660 254 HE ARG 28 HE ARG 28 -25.966 0.190 2.905 255 1HH1 ARG 28 HH11 ARG 28 -25.650 -2.150 5.392 256 2HH1 ARG 28 HH12 ARG 28 -25.371 -3.477 4.315 257 1HH2 ARG 28 HH21 ARG 28 -25.582 -1.463 1.454 258 2HH2 ARG 28 HH22 ARG 28 -25.332 -3.078 2.028 259 HA PRO 29 HA PRO 29 -27.045 5.938 9.830 260 1HB PRO 29 HB1 PRO 29 -26.329 8.106 9.643 261 2HB PRO 29 HB2 PRO 29 -27.551 8.420 8.411 262 1HG PRO 29 HG1 PRO 29 -24.689 8.077 8.042 263 2HG PRO 29 HG2 PRO 29 -25.900 8.474 6.822 264 1HD PRO 29 HD1 PRO 29 -25.828 6.353 6.005 265 2HD PRO 29 HD2 PRO 29 -24.527 5.985 7.147 266 OH TYR 30 OH TYR 30 -28.777 11.076 3.988 267 H TYR 30 HN TYR 30 -28.474 5.606 6.721 268 HA TYR 30 HA TYR 30 -31.086 6.628 7.635 269 1HB TYR 30 HB1 TYR 30 -31.825 5.928 5.332 270 2HB TYR 30 HB2 TYR 30 -30.243 5.214 5.056 271 HD1 TYR 30 HD1 TYR 30 -31.745 8.457 6.183 272 HD2 TYR 30 HD2 TYR 30 -28.617 6.552 4.021 273 HE1 TYR 30 HE1 TYR 30 -30.883 10.648 5.501 274 HE2 TYR 30 HE2 TYR 30 -27.755 8.743 3.341 275 HH TYR 30 HH TYR 30 -28.185 11.390 4.674 276 H HIS 31 HN HIS 31 -31.494 5.196 9.373 277 HA HIS 31 HA HIS 31 -31.940 2.339 8.636 278 1HB HIS 31 HB1 HIS 31 -31.963 1.928 11.062 279 2HB HIS 31 HB2 HIS 31 -31.996 3.659 11.391 280 HD1 HIS 31 HD1 HIS 31 -29.701 1.036 10.288 281 HD2 HIS 31 HD2 HIS 31 -29.540 5.001 11.123 282 HE1 HIS 31 HE1 HIS 31 -27.333 1.560 10.369 283 H CYS 32 HN CYS 32 -33.966 1.579 8.366 284 HA CYS 32 HA CYS 32 -36.235 3.253 8.358 285 1HB CYS 32 HB1 CYS 32 -35.861 0.254 8.639 286 2HB CYS 32 HB2 CYS 32 -36.453 1.143 7.258 287 H THR 33 HN THR 33 -37.901 3.609 9.853 288 HA THR 33 HA THR 33 -37.017 3.538 12.635 289 HB THR 33 HB THR 33 -39.840 4.278 11.727 290 HG1 THR 33 HG1 THR 33 -38.672 6.377 11.420 291 1HG2 THR 33 HG21 THR 33 -39.169 4.492 14.179 292 2HG2 THR 33 HG22 THR 33 -39.475 6.065 13.448 293 3HG2 THR 33 HG23 THR 33 -37.820 5.512 13.685 294 OH TYR 34 OH TYR 34 -43.889 4.027 11.680 295 H TYR 34 HN TYR 34 -37.903 1.075 10.927 296 HA TYR 34 HA TYR 34 -39.377 -0.194 13.183 297 1HB TYR 34 HB1 TYR 34 -40.903 -1.323 11.584 298 2HB TYR 34 HB2 TYR 34 -40.092 -0.554 10.227 299 HD1 TYR 34 HD2 TYR 34 -40.164 2.013 10.089 300 HD2 TYR 34 HD1 TYR 34 -42.659 -0.203 12.724 301 HE1 TYR 34 HE2 TYR 34 -41.685 3.926 10.256 302 HE2 TYR 34 HE1 TYR 34 -44.182 1.713 12.887 303 HH TYR 34 HH TYR 34 -44.744 3.703 11.973 304 H CYS 35 HN CYS 35 -38.252 -1.109 9.940 305 HA CYS 35 HA CYS 35 -37.328 -3.695 10.807 306 1HB CYS 35 HB1 CYS 35 -36.434 -3.884 8.567 307 2HB CYS 35 HB2 CYS 35 -36.378 -2.156 8.373 308 H ASN 36 HN ASN 36 -34.984 -4.303 10.132 309 HA ASN 36 HA ASN 36 -33.180 -2.452 11.626 310 1HB ASN 36 HB1 ASN 36 -32.690 -5.378 10.892 311 2HB ASN 36 HB2 ASN 36 -33.519 -4.905 12.373 312 1HD2 ASN 36 HD21 ASN 36 -32.258 -3.977 14.081 313 2HD2 ASN 36 HD22 ASN 36 -30.564 -3.884 14.023 314 H PHE 37 HN PHE 37 -34.057 -2.802 8.617 315 HA PHE 37 HA PHE 37 -31.437 -3.163 7.341 316 1HB PHE 37 HB1 PHE 37 -33.834 -2.070 5.884 317 2HB PHE 37 HB2 PHE 37 -33.939 -3.720 6.488 318 HD1 PHE 37 HD2 PHE 37 -31.779 -5.211 5.984 319 HD2 PHE 37 HD1 PHE 37 -32.877 -1.740 3.779 320 HE1 PHE 37 HE2 PHE 37 -30.435 -5.992 4.083 321 HE2 PHE 37 HE1 PHE 37 -31.534 -2.525 1.878 322 HZ PHE 37 HZ PHE 37 -30.311 -4.650 2.029 323 H SER 38 HN SER 38 -30.201 -1.560 6.445 324 HA SER 38 HA SER 38 -31.207 1.226 6.752 325 1HB SER 38 HB1 SER 38 -28.323 0.458 7.322 326 2HB SER 38 HB2 SER 38 -29.543 0.423 8.599 327 HG SER 38 HG1 SER 38 -30.091 2.572 8.010 328 H PHE 39 HN PHE 39 -30.347 2.743 5.354 329 HA PHE 39 HA PHE 39 -28.974 1.573 2.970 330 1HB PHE 39 HB1 PHE 39 -30.322 3.009 1.601 331 2HB PHE 39 HB2 PHE 39 -30.774 4.021 2.969 332 HD1 PHE 39 HD2 PHE 39 -32.339 3.118 4.710 333 HD2 PHE 39 HD1 PHE 39 -31.512 0.946 1.142 334 HE1 PHE 39 HE2 PHE 39 -34.309 1.710 5.109 335 HE2 PHE 39 HE1 PHE 39 -33.505 -0.439 1.532 336 HZ PHE 39 HZ PHE 39 -34.908 -0.050 3.510 337 H LYS 40 HN LYS 40 -27.650 3.059 1.764 338 HA LYS 40 HA LYS 40 -26.094 4.780 3.578 339 1HB LYS 40 HB1 LYS 40 -25.724 3.824 0.705 340 2HB LYS 40 HB2 LYS 40 -24.908 3.210 2.120 341 1HG LYS 40 HG1 LYS 40 -24.580 5.992 0.942 342 2HG LYS 40 HG2 LYS 40 -23.397 4.698 0.897 343 1HD LYS 40 HD1 LYS 40 -23.592 4.703 3.477 344 2HD LYS 40 HD2 LYS 40 -24.334 6.284 3.282 345 1HE LYS 40 HE1 LYS 40 -21.532 5.415 2.630 346 2HE LYS 40 HE2 LYS 40 -22.073 6.851 3.487 347 1HZ LYS 40 HZ1 LYS 40 -21.550 7.758 1.497 348 2HZ LYS 40 HZ2 LYS 40 -23.166 7.350 1.172 349 3HZ LYS 40 HZ3 LYS 40 -21.910 6.352 0.616 350 H THR 41 HN THR 41 -28.537 5.092 1.236 351 HA THR 41 HA THR 41 -28.034 8.038 1.125 352 HB THR 41 HB THR 41 -28.554 8.049 -1.236 353 HG1 THR 41 HG1 THR 41 -30.382 6.796 -1.129 354 1HG2 THR 41 HG21 THR 41 -27.023 6.431 -2.190 355 2HG2 THR 41 HG22 THR 41 -27.421 5.220 -0.976 356 3HG2 THR 41 HG23 THR 41 -26.405 6.594 -0.549 357 H LYS 42 HN LYS 42 -29.905 9.332 0.788 358 HA LYS 42 HA LYS 42 -32.156 8.387 2.322 359 1HB LYS 42 HB1 LYS 42 -31.696 10.938 0.712 360 2HB LYS 42 HB2 LYS 42 -31.452 10.748 2.445 361 1HG LYS 42 HG1 LYS 42 -33.959 10.020 2.480 362 2HG LYS 42 HG2 LYS 42 -34.042 10.795 0.902 363 1HD LYS 42 HD1 LYS 42 -32.848 12.794 2.122 364 2HD LYS 42 HD2 LYS 42 -33.457 12.028 3.584 365 1HE LYS 42 HE1 LYS 42 -35.713 11.939 2.146 366 2HE LYS 42 HE2 LYS 42 -34.967 13.315 1.345 367 1HZ LYS 42 HZ1 LYS 42 -36.289 13.257 3.798 368 2HZ LYS 42 HZ2 LYS 42 -35.553 14.583 3.032 369 3HZ LYS 42 HZ3 LYS 42 -34.659 13.621 4.110 370 H GLY 43 HN GLY 43 -31.300 8.242 -0.949 371 1HA GLY 43 HA1 GLY 43 -32.513 7.596 -2.858 372 2HA GLY 43 HA2 GLY 43 -33.879 8.477 -2.178 373 H ASN 44 HN ASN 44 -32.055 5.481 -1.584 374 HA ASN 44 HA ASN 44 -34.144 3.689 -2.004 375 1HB ASN 44 HB1 ASN 44 -32.834 2.267 -0.234 376 2HB ASN 44 HB2 ASN 44 -31.732 3.637 -0.160 377 1HD2 ASN 44 HD21 ASN 44 -30.282 1.744 -1.076 378 2HD2 ASN 44 HD22 ASN 44 -30.207 1.627 -2.768 379 H LEU 45 HN LEU 45 -33.643 5.823 0.672 380 HA LEU 45 HA LEU 45 -35.247 4.439 2.603 381 1HB LEU 45 HB1 LEU 45 -35.092 7.467 2.359 382 2HB LEU 45 HB2 LEU 45 -33.664 6.559 2.823 383 HG LEU 45 HG LEU 45 -34.922 7.381 4.803 384 1HD1 LEU 45 HD11 LEU 45 -37.163 5.486 4.057 385 2HD1 LEU 45 HD12 LEU 45 -37.182 7.172 3.566 386 3HD1 LEU 45 HD13 LEU 45 -37.158 6.752 5.274 387 1HD2 LEU 45 HD21 LEU 45 -33.777 4.945 4.504 388 2HD2 LEU 45 HD22 LEU 45 -35.395 4.436 4.947 389 3HD2 LEU 45 HD23 LEU 45 -34.480 5.484 6.020 390 H THR 46 HN THR 46 -36.036 7.222 0.524 391 HA THR 46 HA THR 46 -38.783 7.336 1.071 392 HB THR 46 HB THR 46 -37.442 7.786 -1.666 393 HG1 THR 46 HG1 THR 46 -37.888 9.494 0.569 394 1HG2 THR 46 HG21 THR 46 -39.227 9.659 -1.679 395 2HG2 THR 46 HG22 THR 46 -39.940 8.894 -0.263 396 3HG2 THR 46 HG23 THR 46 -39.905 8.039 -1.801 397 H LYS 47 HN LYS 47 -36.984 5.164 -1.008 398 HA LYS 47 HA LYS 47 -39.285 4.062 -2.354 399 1HB LYS 47 HB1 LYS 47 -36.551 2.822 -1.776 400 2HB LYS 47 HB2 LYS 47 -36.948 3.784 -3.194 401 1HG LYS 47 HG1 LYS 47 -38.846 2.053 -3.579 402 2HG LYS 47 HG2 LYS 47 -37.965 1.042 -2.439 403 1HD LYS 47 HD1 LYS 47 -35.889 1.603 -3.939 404 2HD LYS 47 HD2 LYS 47 -37.095 2.029 -5.148 405 1HE LYS 47 HE1 LYS 47 -36.472 -0.324 -5.416 406 2HE LYS 47 HE2 LYS 47 -38.136 -0.219 -4.858 407 1HZ LYS 47 HZ1 LYS 47 -35.821 -0.621 -3.054 408 2HZ LYS 47 HZ2 LYS 47 -36.761 -1.888 -3.683 409 3HZ LYS 47 HZ3 LYS 47 -37.468 -0.736 -2.657 410 H HIS 48 HN HIS 48 -37.421 2.996 0.490 411 HA HIS 48 HA HIS 48 -39.060 0.661 0.928 412 1HB HIS 48 HB1 HIS 48 -37.293 2.258 2.857 413 2HB HIS 48 HB2 HIS 48 -36.793 0.854 1.921 414 HD1 HIS 48 HD1 HIS 48 -38.697 -1.194 2.463 415 HD2 HIS 48 HD2 HIS 48 -37.891 1.494 5.438 416 HE1 HIS 48 HE1 HIS 48 -39.398 -2.289 4.533 417 H MET 49 HN MET 49 -39.477 3.999 1.598 418 HA MET 49 HA MET 49 -41.570 3.444 3.627 419 1HB MET 49 HB1 MET 49 -41.670 6.078 3.515 420 2HB MET 49 HB2 MET 49 -40.176 5.937 2.594 421 1HG MET 49 HG1 MET 49 -39.522 6.192 4.863 422 2HG MET 49 HG2 MET 49 -39.261 4.517 4.456 423 1HE MET 49 HE1 MET 49 -40.275 6.698 7.330 424 2HE MET 49 HE2 MET 49 -38.926 5.595 7.055 425 3HE MET 49 HE3 MET 49 -40.127 5.229 8.294 426 H LYS 50 HN LYS 50 -41.195 4.472 0.309 427 HA LYS 50 HA LYS 50 -43.720 5.612 -0.177 428 1HB LYS 50 HB1 LYS 50 -42.203 3.694 -2.015 429 2HB LYS 50 HB2 LYS 50 -41.826 5.405 -1.851 430 1HG LYS 50 HG1 LYS 50 -44.199 5.924 -2.521 431 2HG LYS 50 HG2 LYS 50 -44.436 4.210 -2.839 432 1HD LYS 50 HD1 LYS 50 -42.763 4.213 -4.570 433 2HD LYS 50 HD2 LYS 50 -42.217 5.825 -4.126 434 1HE LYS 50 HE1 LYS 50 -44.507 6.693 -4.716 435 2HE LYS 50 HE2 LYS 50 -44.916 5.087 -5.304 436 1HZ LYS 50 HZ1 LYS 50 -43.703 5.356 -7.143 437 2HZ LYS 50 HZ2 LYS 50 -42.450 6.177 -6.344 438 3HZ LYS 50 HZ3 LYS 50 -43.852 7.015 -6.809 439 H SER 51 HN SER 51 -42.774 2.201 -0.148 440 HA SER 51 HA SER 51 -45.304 1.158 -0.952 441 1HB SER 51 HB1 SER 51 -43.246 -0.116 0.937 442 2HB SER 51 HB2 SER 51 -43.162 -0.189 -0.834 443 HG SER 51 HG1 SER 51 -44.369 -1.920 0.422 444 H LYS 52 HN LYS 52 -46.954 0.198 0.319 445 HA LYS 52 HA LYS 52 -47.612 1.763 2.676 446 1HB LYS 52 HB1 LYS 52 -49.375 0.961 1.126 447 2HB LYS 52 HB2 LYS 52 -49.644 0.271 2.723 448 1HG LYS 52 HG1 LYS 52 -48.593 -1.825 2.045 449 2HG LYS 52 HG2 LYS 52 -48.156 -1.140 0.484 450 1HD LYS 52 HD1 LYS 52 -51.029 -0.945 1.196 451 2HD LYS 52 HD2 LYS 52 -50.433 -2.576 0.908 452 1HE LYS 52 HE1 LYS 52 -51.255 -1.505 -1.184 453 2HE LYS 52 HE2 LYS 52 -49.542 -1.892 -1.275 454 1HZ LYS 52 HZ1 LYS 52 -50.516 0.770 -0.437 455 2HZ LYS 52 HZ2 LYS 52 -50.223 0.379 -2.064 456 3HZ LYS 52 HZ3 LYS 52 -48.954 0.332 -0.936 457 H ALA 53 HN ALA 53 -45.215 -0.010 2.758 458 HA ALA 53 HA ALA 53 -45.603 -2.311 4.324 459 1HB ALA 53 HB1 ALA 53 -43.382 -1.709 3.466 460 2HB ALA 53 HB2 ALA 53 -43.273 -1.778 5.222 461 3HB ALA 53 HB3 ALA 53 -43.374 -0.221 4.407 462 H HIS 54 HN HIS 54 -44.013 0.273 6.036 463 HA HIS 54 HA HIS 54 -46.267 0.481 7.940 464 1HB HIS 54 HB1 HIS 54 -45.146 -1.252 9.065 465 2HB HIS 54 HB2 HIS 54 -44.347 0.147 9.771 466 HD1 HIS 54 HD1 HIS 54 -43.620 -2.802 7.858 467 HD2 HIS 54 HD2 HIS 54 -41.736 0.772 8.481 468 HE1 HIS 54 HE1 HIS 54 -41.278 -3.171 7.226 469 H SER 55 HN SER 55 -46.345 2.646 7.182 470 HA SER 55 HA SER 55 -44.403 4.369 8.608 471 1HB SER 55 HB1 SER 55 -45.111 4.901 5.678 472 2HB SER 55 HB2 SER 55 -43.647 4.019 6.153 473 HG SER 55 HG1 SER 55 -42.863 5.773 7.088 474 H LYS 56 HN LYS 56 -46.483 4.463 9.849 475 HA LYS 56 HA LYS 56 -48.699 5.926 8.640 476 1HB LYS 56 HB1 LYS 56 -49.494 5.989 11.081 477 2HB LYS 56 HB2 LYS 56 -48.012 5.141 11.510 478 1HG LYS 56 HG1 LYS 56 -48.769 3.485 9.588 479 2HG LYS 56 HG2 LYS 56 -50.360 4.161 9.914 480 1HD LYS 56 HD1 LYS 56 -50.363 2.446 11.469 481 2HD LYS 56 HD2 LYS 56 -49.622 3.710 12.446 482 1HE LYS 56 HE1 LYS 56 -47.373 2.889 11.763 483 2HE LYS 56 HE2 LYS 56 -48.137 1.599 10.845 484 1HZ LYS 56 HZ1 LYS 56 -47.394 0.913 13.067 485 2HZ LYS 56 HZ2 LYS 56 -49.065 0.707 12.842 486 3HZ LYS 56 HZ3 LYS 56 -48.486 2.014 13.759 487 H LYS 57 HN LYS 57 -47.292 6.846 11.722 488 HA LYS 57 HA LYS 57 -47.703 9.597 11.373 489 1HB LYS 57 HB1 LYS 57 -45.618 9.639 13.081 490 2HB LYS 57 HB2 LYS 57 -45.926 7.906 13.119 491 1HG LYS 57 HG1 LYS 57 -47.991 10.067 13.655 492 2HG LYS 57 HG2 LYS 57 -47.207 9.084 14.885 493 1HD LYS 57 HD1 LYS 57 -48.103 7.037 13.678 494 2HD LYS 57 HD2 LYS 57 -49.051 8.129 12.676 495 1HE LYS 57 HE1 LYS 57 -50.361 7.286 14.617 496 2HE LYS 57 HE2 LYS 57 -50.166 9.033 14.669 497 1HZ LYS 57 HZ1 LYS 57 -48.185 7.356 16.028 498 2HZ LYS 57 HZ2 LYS 57 -49.702 7.578 16.758 499 3HZ LYS 57 LYS 57 -48.723 8.921 16.409 Start of MODEL 30 Raw file had 499 H/Q atoms Start of MODEL 30 1 1H LYS 1 HT1 LYS 1 -9.270 -4.997 -9.399 2 2H LYS 1 HT2 LYS 1 -8.907 -4.916 -11.055 3 3H LYS 1 HT3 LYS 1 -10.490 -4.618 -10.519 4 HA LYS 1 HA LYS 1 -8.176 -2.965 -9.699 5 1HB LYS 1 HB1 LYS 1 -8.620 -1.467 -11.493 6 2HB LYS 1 HB2 LYS 1 -10.228 -2.123 -11.772 7 1HG LYS 1 HG1 LYS 1 -8.630 -2.813 -13.551 8 2HG LYS 1 HG2 LYS 1 -9.251 -4.199 -12.666 9 1HD LYS 1 HD1 LYS 1 -7.221 -4.337 -11.336 10 2HD LYS 1 HD2 LYS 1 -6.629 -2.819 -12.002 11 1HE LYS 1 HE1 LYS 1 -7.275 -5.185 -13.771 12 2HE LYS 1 HE2 LYS 1 -5.691 -4.993 -13.030 13 1HZ LYS 1 HZ1 LYS 1 -6.752 -3.712 -15.309 14 2HZ LYS 1 HZ2 LYS 1 -5.170 -3.666 -14.692 15 3HZ LYS 1 HZ3 LYS 1 -6.326 -2.549 -14.146 16 OH TYR 2 OH TYR 2 -7.816 2.597 -8.826 17 H TYR 2 HN TYR 2 -11.640 -2.800 -10.535 18 HA TYR 2 HA TYR 2 -12.165 -1.764 -7.808 19 1HB TYR 2 HB1 TYR 2 -13.443 0.158 -8.762 20 2HB TYR 2 HB2 TYR 2 -12.973 -0.332 -10.385 21 HD1 TYR 2 HD2 TYR 2 -11.591 0.783 -7.106 22 HD2 TYR 2 HD1 TYR 2 -10.860 0.306 -11.269 23 HE1 TYR 2 HE2 TYR 2 -9.499 2.046 -6.885 24 HE2 TYR 2 HE1 TYR 2 -8.768 1.564 -11.046 25 HH TYR 2 HH TYR 2 -7.248 2.124 -8.214 26 H ILE 3 HN ILE 3 -12.842 -4.246 -8.838 27 HA ILE 3 HA ILE 3 -15.764 -4.006 -9.403 28 HB ILE 3 HB ILE 3 -14.081 -6.531 -9.603 29 1HG1 ILE 3 HG11 ILE 3 -14.066 -4.128 -11.336 30 2HG1 ILE 3 HG12 ILE 3 -14.295 -5.653 -12.185 31 1HG2 ILE 3 HG21 ILE 3 -16.639 -6.571 -9.714 32 2HG2 ILE 3 HG22 ILE 3 -15.864 -7.185 -11.170 33 3HG2 ILE 3 HG23 ILE 3 -16.539 -5.558 -11.151 34 1HD1 ILE 3 HD1 ILE 3 -12.251 -6.549 -11.349 35 2HD1 ILE 3 HD2 ILE 3 -12.119 -5.304 -10.111 36 3HD1 ILE 3 HD3 ILE 3 -11.859 -4.893 -11.804 37 H CYS 4 HN CYS 4 -16.731 -3.891 -7.405 38 HA CYS 4 HA CYS 4 -15.888 -5.007 -5.012 39 1HB CYS 4 HB1 CYS 4 -18.625 -4.569 -6.174 40 2HB CYS 4 HB2 CYS 4 -17.842 -3.696 -4.890 41 H GLU 5 HN GLU 5 -15.559 -6.969 -4.295 42 HA GLU 5 HA GLU 5 -15.947 -9.268 -5.947 43 1HB GLU 5 HB1 GLU 5 -14.959 -10.494 -4.118 44 2HB GLU 5 HB2 GLU 5 -15.482 -9.294 -2.942 45 1HG GLU 5 HG1 GLU 5 -13.869 -7.721 -3.645 46 2HG GLU 5 HG2 GLU 5 -13.640 -8.514 -5.201 47 H GLU 6 HN GLU 6 -18.071 -7.662 -3.811 48 HA GLU 6 HA GLU 6 -19.663 -10.085 -3.349 49 1HB GLU 6 HB1 GLU 6 -20.344 -7.254 -2.479 50 2HB GLU 6 HB2 GLU 6 -19.221 -8.257 -1.571 51 1HG GLU 6 HG1 GLU 6 -21.002 -10.016 -1.402 52 2HG GLU 6 HG2 GLU 6 -22.120 -8.913 -2.200 53 H CYS 7 HN CYS 7 -20.651 -6.791 -4.216 54 HA CYS 7 HA CYS 7 -22.932 -7.804 -5.690 55 1HB CYS 7 HB1 CYS 7 -23.524 -5.554 -5.970 56 2HB CYS 7 HB2 CYS 7 -21.874 -5.016 -6.039 57 H GLY 8 HN GLY 8 -19.780 -6.448 -6.591 58 1HA GLY 8 HA1 GLY 8 -20.228 -7.516 -9.333 59 2HA GLY 8 HA2 GLY 8 -18.662 -7.117 -8.644 60 H ILE 9 HN ILE 9 -20.160 -4.566 -7.614 61 HA ILE 9 HA ILE 9 -20.902 -3.025 -9.854 62 HB ILE 9 HB ILE 9 -21.027 -2.520 -7.254 63 1HG1 ILE 9 HG11 ILE 9 -20.708 -0.625 -9.550 64 2HG1 ILE 9 HG12 ILE 9 -20.830 0.041 -7.926 65 1HG2 ILE 9 HG21 ILE 9 -18.503 -0.944 -7.992 66 2HG2 ILE 9 HG22 ILE 9 -18.433 -2.466 -7.114 67 3HG2 ILE 9 HG23 ILE 9 -19.250 -1.087 -6.414 68 1HD1 ILE 9 HD1 ILE 9 -22.773 -2.085 -8.792 69 2HD1 ILE 9 HD2 ILE 9 -23.027 -0.422 -9.315 70 3HD1 ILE 9 HD3 ILE 9 -22.986 -0.809 -7.598 71 NH1 ARG 10 NH2 ARG 10 -17.257 -2.341 -18.123 72 NH2 ARG 10 NH1 ARG 10 -15.219 -3.361 -18.291 73 H ARG 10 HN ARG 10 -19.783 -2.187 -11.491 74 HA ARG 10 HA ARG 10 -16.811 -2.333 -11.346 75 1HB ARG 10 HB1 ARG 10 -18.573 -1.821 -13.786 76 2HB ARG 10 HB2 ARG 10 -18.138 -3.438 -13.248 77 1HG ARG 10 HG1 ARG 10 -15.687 -2.634 -13.355 78 2HG ARG 10 HG2 ARG 10 -16.301 -1.250 -14.252 79 1HD ARG 10 HD1 ARG 10 -17.551 -3.327 -15.544 80 2HD ARG 10 HD2 ARG 10 -16.013 -4.066 -15.103 81 HE ARG 10 HE ARG 10 -15.220 -1.663 -16.164 82 1HH1 ARG 10 HH21 ARG 10 -17.917 -1.834 -17.570 83 2HH1 ARG 10 HH22 ARG 10 -17.473 -2.573 -19.071 84 1HH2 ARG 10 HH11 ARG 10 -14.353 -3.619 -17.863 85 2HH2 ARG 10 HH12 ARG 10 -15.401 -3.610 -19.242 86 H ABA 11 HN ABU 11 -16.093 -0.481 -10.452 87 HA ABA 11 HA ABU 11 -16.934 2.082 -11.771 88 1HB ABA 11 HB1 ABU 11 -16.556 3.196 -9.609 89 2HB ABA 11 HB2 ABU 11 -15.979 1.708 -8.896 90 1HG ABA 11 HG1 ABU 11 -18.342 0.770 -9.581 91 2HG ABA 11 HG2 ABU 11 -18.789 2.469 -9.647 92 3HG ABA 11 HG3 ABU 11 -18.201 1.772 -8.142 93 H LYS 12 HN LYS 12 -15.259 2.259 -13.192 94 HA LYS 12 HA LYS 12 -12.573 1.571 -12.765 95 1HB LYS 12 HB1 LYS 12 -12.097 3.158 -14.629 96 2HB LYS 12 HB2 LYS 12 -13.693 3.871 -14.428 97 1HG LYS 12 HG1 LYS 12 -14.793 1.930 -15.194 98 2HG LYS 12 HG2 LYS 12 -13.393 0.907 -14.894 99 1HD LYS 12 HD1 LYS 12 -12.221 1.767 -16.774 100 2HD LYS 12 HD2 LYS 12 -13.290 3.158 -16.908 101 1HE LYS 12 HE1 LYS 12 -14.248 0.306 -17.271 102 2HE LYS 12 HE2 LYS 12 -13.701 1.305 -18.611 103 1HZ LYS 12 HZ1 LYS 12 -15.914 1.983 -16.758 104 2HZ LYS 12 HZ2 LYS 12 -16.097 1.392 -18.338 105 3HZ LYS 12 HZ3 LYS 12 -15.398 2.917 -18.079 106 H LYS 13 HN LYS 13 -14.323 4.079 -11.270 107 HA LYS 13 HA LYS 13 -11.837 5.601 -10.715 108 1HB LYS 13 HB1 LYS 13 -13.427 7.336 -9.817 109 2HB LYS 13 HB2 LYS 13 -14.765 6.257 -10.193 110 1HG LYS 13 HG1 LYS 13 -13.913 6.224 -12.594 111 2HG LYS 13 HG2 LYS 13 -12.818 7.525 -12.141 112 1HD LYS 13 HD1 LYS 13 -15.845 7.593 -11.904 113 2HD LYS 13 HD2 LYS 13 -14.891 8.441 -13.116 114 1HE LYS 13 HE1 LYS 13 -15.135 10.127 -11.535 115 2HE LYS 13 HE2 LYS 13 -13.635 9.397 -10.978 116 1HZ LYS 13 HZ1 LYS 13 -15.583 7.921 -9.776 117 2HZ LYS 13 HZ2 LYS 13 -16.181 9.508 -9.701 118 3HZ LYS 13 HZ3 LYS 13 -14.657 9.145 -9.048 119 HA PRO 14 HA PRO 14 -11.614 3.808 -6.623 120 1HB PRO 14 HB1 PRO 14 -9.583 4.708 -6.002 121 2HB PRO 14 HB2 PRO 14 -10.447 6.111 -5.369 122 1HG PRO 14 HG1 PRO 14 -8.700 6.092 -7.610 123 2HG PRO 14 HG2 PRO 14 -9.774 7.410 -7.139 124 1HD PRO 14 HD1 PRO 14 -10.962 7.015 -9.060 125 2HD PRO 14 HD2 PRO 14 -10.033 5.535 -9.368 126 H SER 15 HN SER 15 -12.033 7.322 -6.178 127 HA SER 15 HA SER 15 -13.512 7.491 -3.914 128 1HB SER 15 HB1 SER 15 -13.075 9.475 -5.359 129 2HB SER 15 HB2 SER 15 -14.817 9.393 -5.032 130 HG SER 15 HG1 SER 15 -14.174 7.783 -7.082 131 H MET 16 HN MET 16 -14.850 6.466 -7.031 132 HA MET 16 HA MET 16 -17.541 6.181 -6.029 133 1HB MET 16 HB1 MET 16 -17.667 4.596 -8.126 134 2HB MET 16 HB2 MET 16 -16.023 5.140 -8.446 135 1HG MET 16 HG1 MET 16 -16.793 7.478 -8.388 136 2HG MET 16 HG2 MET 16 -18.420 6.940 -8.065 137 1HE MET 16 HE1 MET 16 -18.801 8.814 -9.791 138 2HE MET 16 HE2 MET 16 -20.032 7.552 -9.842 139 3HE MET 16 HE3 MET 16 -19.401 8.230 -11.343 140 H LEU 17 HN LEU 17 -14.993 3.770 -6.755 141 HA LEU 17 HA LEU 17 -16.491 1.608 -5.604 142 1HB LEU 17 HB1 LEU 17 -13.460 1.711 -5.746 143 2HB LEU 17 HB2 LEU 17 -14.400 1.575 -7.210 144 HG LEU 17 HG LEU 17 -13.635 -0.651 -6.323 145 1HD1 LEU 17 HD11 LEU 17 -14.437 -1.536 -4.274 146 2HD1 LEU 17 HD12 LEU 17 -15.618 -0.252 -4.077 147 3HD1 LEU 17 HD13 LEU 17 -13.905 0.094 -3.888 148 1HD2 LEU 17 HD21 LEU 17 -15.592 -1.784 -6.890 149 2HD2 LEU 17 HD22 LEU 17 -15.901 -0.206 -7.593 150 3HD2 LEU 17 HD23 LEU 17 -16.637 -0.643 -6.062 151 H LYS 18 HN LYS 18 -13.594 3.310 -4.464 152 HA LYS 18 HA LYS 18 -13.177 2.373 -1.968 153 1HB LYS 18 HB1 LYS 18 -13.516 5.359 -2.528 154 2HB LYS 18 HB2 LYS 18 -12.100 4.440 -3.020 155 1HG LYS 18 HG1 LYS 18 -13.085 4.686 -0.150 156 2HG LYS 18 HG2 LYS 18 -11.781 5.645 -0.837 157 1HD LYS 18 HD1 LYS 18 -11.000 3.085 -1.506 158 2HD LYS 18 HD2 LYS 18 -11.770 2.832 0.056 159 1HE LYS 18 HE1 LYS 18 -10.394 4.823 0.894 160 2HE LYS 18 HE2 LYS 18 -9.482 4.700 -0.605 161 1HZ LYS 18 HZ1 LYS 18 -9.432 3.008 1.729 162 2HZ LYS 18 HZ2 LYS 18 -8.238 3.277 0.551 163 3HZ LYS 18 HZ3 LYS 18 -9.484 2.160 0.259 164 H LYS 19 HN LYS 19 -15.776 4.667 -2.753 165 HA LYS 19 HA LYS 19 -16.794 4.664 -0.063 166 1HB LYS 19 HB1 LYS 19 -18.383 5.321 -2.575 167 2HB LYS 19 HB2 LYS 19 -17.172 6.431 -1.942 168 1HG LYS 19 HG1 LYS 19 -18.389 6.861 0.007 169 2HG LYS 19 HG2 LYS 19 -19.253 5.331 -0.075 170 1HD LYS 19 HD1 LYS 19 -20.749 7.208 -0.664 171 2HD LYS 19 HD2 LYS 19 -20.512 6.146 -2.046 172 1HE LYS 19 HE1 LYS 19 -19.131 7.675 -3.154 173 2HE LYS 19 HE2 LYS 19 -18.661 8.483 -1.665 174 1HZ LYS 19 HZ1 LYS 19 -21.196 9.053 -1.601 175 2HZ LYS 19 HZ2 LYS 19 -21.077 8.818 -3.279 176 3HZ LYS 19 HZ3 LYS 19 -20.111 9.987 -2.514 177 H HIS 20 HN HIS 20 -17.614 2.977 -3.048 178 HA HIS 20 HA HIS 20 -19.974 1.688 -2.176 179 1HB HIS 20 HB1 HIS 20 -17.791 0.640 -4.018 180 2HB HIS 20 HB2 HIS 20 -19.163 1.615 -4.538 181 HD1 HIS 20 HD1 HIS 20 -21.143 0.197 -5.124 182 HD2 HIS 20 HD2 HIS 20 -18.532 -1.880 -2.791 183 HE1 HIS 20 HE1 HIS 20 -22.049 -2.075 -4.997 184 H ILE 21 HN ILE 21 -16.613 0.494 -2.120 185 HA ILE 21 HA ILE 21 -17.260 -1.932 -0.787 186 HB ILE 21 HB ILE 21 -15.000 -1.080 -1.924 187 1HG1 ILE 21 HG11 ILE 21 -15.425 -3.027 0.327 188 2HG1 ILE 21 HG12 ILE 21 -13.801 -2.777 -0.302 189 1HG2 ILE 21 HG21 ILE 21 -13.348 -0.293 -0.365 190 2HG2 ILE 21 HG22 ILE 21 -14.322 -0.737 1.030 191 3HG2 ILE 21 HG23 ILE 21 -14.773 0.637 0.039 192 1HD1 ILE 21 HD1 ILE 21 -15.980 -3.160 -2.305 193 2HD1 ILE 21 HD2 ILE 21 -15.486 -4.575 -1.381 194 3HD1 ILE 21 HD3 ILE 21 -14.306 -3.702 -2.354 195 NH1 ARG 22 NH2 ARG 22 -13.682 6.046 5.034 196 NH2 ARG 22 NH1 ARG 22 -15.867 6.662 4.773 197 H ARG 22 HN ARG 22 -16.709 1.303 0.434 198 HA ARG 22 HA ARG 22 -16.457 0.444 3.209 199 1HB ARG 22 HB1 ARG 22 -17.085 2.985 3.550 200 2HB ARG 22 HB2 ARG 22 -16.961 3.093 1.798 201 1HG ARG 22 HG1 ARG 22 -14.656 2.245 1.881 202 2HG ARG 22 HG2 ARG 22 -14.775 2.041 3.625 203 1HD ARG 22 HD1 ARG 22 -15.116 4.701 2.196 204 2HD ARG 22 HD2 ARG 22 -13.620 4.175 2.965 205 HE ARG 22 HE ARG 22 -15.757 3.975 4.858 206 1HH1 ARG 22 HH21 ARG 22 -12.979 5.338 4.971 207 2HH1 ARG 22 HH22 ARG 22 -13.441 6.964 5.346 208 1HH2 ARG 22 HH11 ARG 22 -16.801 6.415 4.515 209 2HH2 ARG 22 HH12 ARG 22 -15.662 7.591 5.081 210 H THR 23 HN THR 23 -19.073 0.845 1.041 211 HA THR 23 HA THR 23 -21.047 1.438 3.087 212 HB THR 23 HB THR 23 -21.710 0.113 0.408 213 HG1 THR 23 HG1 THR 23 -20.204 1.671 -0.077 214 1HG2 THR 23 HG21 THR 23 -22.856 2.451 2.045 215 2HG2 THR 23 HG22 THR 23 -23.594 0.857 1.938 216 3HG2 THR 23 HG23 THR 23 -23.520 1.893 0.515 217 H HIS 24 HN HIS 24 -19.460 -1.423 2.011 218 HA HIS 24 HA HIS 24 -21.577 -3.254 2.866 219 1HB HIS 24 HB1 HIS 24 -19.484 -4.891 2.824 220 2HB HIS 24 HB2 HIS 24 -18.649 -3.531 2.086 221 HD1 HIS 24 HD1 HIS 24 -21.727 -5.584 1.415 222 HD2 HIS 24 HD2 HIS 24 -19.055 -3.269 -0.600 223 HE1 HIS 24 HE1 HIS 24 -22.271 -5.859 -0.985 224 H THR 25 HN THR 25 -19.936 -1.133 4.602 225 HA THR 25 HA THR 25 -19.094 -2.927 6.793 226 HB THR 25 HB THR 25 -18.427 -0.662 7.820 227 HG1 THR 25 HG1 THR 25 -20.091 0.000 5.790 228 1HG2 THR 25 HG21 THR 25 -16.833 -1.808 6.172 229 2HG2 THR 25 HG22 THR 25 -16.738 -0.051 6.094 230 3HG2 THR 25 HG23 THR 25 -17.645 -0.939 4.873 231 H ASP 26 HN ASP 26 -20.227 0.024 7.830 232 HA ASP 26 HA ASP 26 -22.971 -0.846 8.372 233 1HB ASP 26 HB1 ASP 26 -22.528 -0.354 10.903 234 2HB ASP 26 HB2 ASP 26 -20.819 -0.535 10.511 235 H VAL 27 HN VAL 27 -21.537 1.213 6.969 236 HA VAL 27 HA VAL 27 -22.088 3.654 8.546 237 HB VAL 27 HB VAL 27 -20.000 3.526 7.239 238 1HG1 VAL 27 HG11 VAL 27 -20.828 1.925 5.532 239 2HG1 VAL 27 HG12 VAL 27 -20.038 3.308 4.796 240 3HG1 VAL 27 HG13 VAL 27 -21.793 3.203 4.816 241 1HG2 VAL 27 HG21 VAL 27 -21.829 5.623 7.132 242 2HG2 VAL 27 HG22 VAL 27 -21.349 5.410 5.453 243 3HG2 VAL 27 HG23 VAL 27 -20.130 5.719 6.683 244 NH1 ARG 28 NH2 ARG 28 -26.338 -2.116 6.777 245 NH2 ARG 28 NH1 ARG 28 -24.111 -2.625 6.747 246 H ARG 28 HN ARG 28 -24.368 2.261 8.025 247 HA ARG 28 HA ARG 28 -25.749 3.860 5.908 248 1HB ARG 28 HB1 ARG 28 -27.453 1.914 6.122 249 2HB ARG 28 HB2 ARG 28 -26.200 1.073 7.024 250 1HG ARG 28 HG1 ARG 28 -24.728 1.807 4.910 251 2HG ARG 28 HG2 ARG 28 -26.302 1.787 4.125 252 1HD ARG 28 HD1 ARG 28 -25.238 -0.429 3.943 253 2HD ARG 28 HD2 ARG 28 -26.670 -0.529 4.966 254 HE ARG 28 HE ARG 28 -24.096 -0.094 6.354 255 1HH1 ARG 28 HH21 ARG 28 -27.069 -1.461 6.585 256 2HH1 ARG 28 HH22 ARG 28 -26.558 -3.009 7.170 257 1HH2 ARG 28 HH11 ARG 28 -23.174 -2.352 6.532 258 2HH2 ARG 28 HH12 ARG 28 -24.292 -3.527 7.139 259 HA PRO 29 HA PRO 29 -27.394 5.218 10.032 260 1HB PRO 29 HB1 PRO 29 -26.959 7.473 10.005 261 2HB PRO 29 HB2 PRO 29 -28.150 7.717 8.729 262 1HG PRO 29 HG1 PRO 29 -25.236 7.658 8.498 263 2HG PRO 29 HG2 PRO 29 -26.422 8.081 7.261 264 1HD PRO 29 HD1 PRO 29 -26.204 6.040 6.276 265 2HD PRO 29 HD2 PRO 29 -24.869 5.689 7.388 266 OH TYR 30 OH TYR 30 -29.726 10.914 4.385 267 H TYR 30 HN TYR 30 -28.806 5.638 6.806 268 HA TYR 30 HA TYR 30 -31.508 6.012 7.715 269 1HB TYR 30 HB1 TYR 30 -32.084 5.336 5.345 270 2HB TYR 30 HB2 TYR 30 -30.408 4.860 5.102 271 HD1 TYR 30 HD1 TYR 30 -32.398 7.803 6.300 272 HD2 TYR 30 HD2 TYR 30 -28.926 6.461 4.241 273 HE1 TYR 30 HE1 TYR 30 -31.823 10.123 5.758 274 HE2 TYR 30 HE2 TYR 30 -28.352 8.781 3.698 275 HH TYR 30 HH TYR 30 -30.494 11.460 4.568 276 H HIS 31 HN HIS 31 -32.510 4.571 8.980 277 HA HIS 31 HA HIS 31 -32.308 1.665 8.255 278 1HB HIS 31 HB1 HIS 31 -32.732 1.234 10.702 279 2HB HIS 31 HB2 HIS 31 -32.714 2.971 10.989 280 HD1 HIS 31 HD1 HIS 31 -30.403 0.445 9.552 281 HD2 HIS 31 HD2 HIS 31 -30.238 3.949 11.583 282 HE1 HIS 31 HE1 HIS 31 -28.040 0.806 9.979 283 H CYS 32 HN CYS 32 -34.193 0.562 7.935 284 HA CYS 32 HA CYS 32 -36.616 2.008 7.552 285 1HB CYS 32 HB1 CYS 32 -35.963 -0.929 7.939 286 2HB CYS 32 HB2 CYS 32 -36.453 -0.118 6.475 287 H THR 33 HN THR 33 -38.471 2.214 8.815 288 HA THR 33 HA THR 33 -37.964 2.253 11.686 289 HB THR 33 HB THR 33 -40.615 2.739 10.202 290 HG1 THR 33 HG1 THR 33 -39.510 4.349 9.426 291 1HG2 THR 33 HG21 THR 33 -40.790 4.447 12.156 292 2HG2 THR 33 HG22 THR 33 -39.420 3.620 12.888 293 3HG2 THR 33 HG23 THR 33 -40.940 2.764 12.649 294 OH TYR 34 OH TYR 34 -44.674 1.999 9.802 295 H TYR 34 HN TYR 34 -38.378 -0.289 9.893 296 HA TYR 34 HA TYR 34 -39.959 -1.722 11.969 297 1HB TYR 34 HB1 TYR 34 -41.157 -2.998 10.220 298 2HB TYR 34 HB2 TYR 34 -40.268 -2.165 8.956 299 HD1 TYR 34 HD2 TYR 34 -40.562 0.404 8.791 300 HD2 TYR 34 HD1 TYR 34 -43.165 -2.077 11.067 301 HE1 TYR 34 HE2 TYR 34 -42.294 2.137 8.704 302 HE2 TYR 34 HE1 TYR 34 -44.890 -0.336 10.982 303 HH TYR 34 HH TYR 34 -44.451 2.607 9.094 304 H CYS 35 HN CYS 35 -38.449 -2.588 8.870 305 HA CYS 35 HA CYS 35 -37.361 -5.048 9.798 306 1HB CYS 35 HB1 CYS 35 -35.978 -4.970 7.781 307 2HB CYS 35 HB2 CYS 35 -36.179 -3.248 7.653 308 H ASN 36 HN ASN 36 -34.758 -5.079 9.095 309 HA ASN 36 HA ASN 36 -33.440 -3.296 11.102 310 1HB ASN 36 HB1 ASN 36 -32.609 -6.140 10.340 311 2HB ASN 36 HB2 ASN 36 -33.641 -5.792 11.725 312 1HD2 ASN 36 HD21 ASN 36 -32.604 -3.828 13.119 313 2HD2 ASN 36 HD22 ASN 36 -30.955 -4.025 13.468 314 H PHE 37 HN PHE 37 -33.851 -3.777 7.963 315 HA PHE 37 HA PHE 37 -31.104 -3.826 7.011 316 1HB PHE 37 HB1 PHE 37 -33.418 -2.745 5.390 317 2HB PHE 37 HB2 PHE 37 -33.398 -4.460 5.798 318 HD1 PHE 37 HD2 PHE 37 -31.301 -5.815 5.183 319 HD2 PHE 37 HD1 PHE 37 -32.043 -1.915 3.645 320 HE1 PHE 37 HE2 PHE 37 -29.690 -6.220 3.372 321 HE2 PHE 37 HE1 PHE 37 -30.432 -2.324 1.837 322 HZ PHE 37 HZ PHE 37 -29.255 -4.475 1.700 323 H SER 38 HN SER 38 -30.069 -2.075 5.898 324 HA SER 38 HA SER 38 -31.120 0.612 6.568 325 1HB SER 38 HB1 SER 38 -28.202 -0.084 7.023 326 2HB SER 38 HB2 SER 38 -29.396 -0.340 8.299 327 HG SER 38 HG1 SER 38 -29.143 2.065 6.826 328 H PHE 39 HN PHE 39 -30.221 2.307 5.341 329 HA PHE 39 HA PHE 39 -28.818 1.408 2.860 330 1HB PHE 39 HB1 PHE 39 -30.264 2.843 1.578 331 2HB PHE 39 HB2 PHE 39 -30.826 3.687 3.020 332 HD1 PHE 39 HD2 PHE 39 -32.330 2.503 4.642 333 HD2 PHE 39 HD1 PHE 39 -31.265 0.742 0.912 334 HE1 PHE 39 HE2 PHE 39 -34.179 0.903 4.866 335 HE2 PHE 39 HE1 PHE 39 -33.127 -0.844 1.134 336 HZ PHE 39 HZ PHE 39 -34.584 -0.765 3.111 337 H LYS 40 HN LYS 40 -27.618 3.093 1.784 338 HA LYS 40 HA LYS 40 -26.254 4.824 3.745 339 1HB LYS 40 HB1 LYS 40 -25.730 4.075 0.834 340 2HB LYS 40 HB2 LYS 40 -24.905 3.440 2.235 341 1HG LYS 40 HG1 LYS 40 -24.776 6.303 1.225 342 2HG LYS 40 HG2 LYS 40 -23.483 5.117 1.166 343 1HD LYS 40 HD1 LYS 40 -23.775 4.973 3.739 344 2HD LYS 40 HD2 LYS 40 -24.636 6.498 3.582 345 1HE LYS 40 HE1 LYS 40 -22.300 6.996 4.012 346 2HE LYS 40 HE2 LYS 40 -22.652 7.419 2.341 347 1HZ LYS 40 HZ1 LYS 40 -21.564 4.774 3.077 348 2HZ LYS 40 HZ2 LYS 40 -20.555 6.110 2.789 349 3HZ LYS 40 HZ3 LYS 40 -21.570 5.531 1.556 350 H THR 41 HN THR 41 -28.659 5.042 1.355 351 HA THR 41 HA THR 41 -28.408 8.024 1.381 352 HB THR 41 HB THR 41 -28.905 8.093 -0.982 353 HG1 THR 41 HG1 THR 41 -29.738 5.420 -0.470 354 1HG2 THR 41 HG21 THR 41 -26.650 6.822 -0.395 355 2HG2 THR 41 HG22 THR 41 -27.298 6.568 -2.012 356 3HG2 THR 41 HG23 THR 41 -27.546 5.351 -0.763 357 H LYS 42 HN LYS 42 -30.368 9.174 1.089 358 HA LYS 42 HA LYS 42 -32.562 7.972 2.536 359 1HB LYS 42 HB1 LYS 42 -32.664 10.611 1.038 360 2HB LYS 42 HB2 LYS 42 -31.733 10.465 2.524 361 1HG LYS 42 HG1 LYS 42 -33.784 9.632 3.686 362 2HG LYS 42 HG2 LYS 42 -34.698 9.896 2.204 363 1HD LYS 42 HD1 LYS 42 -34.081 12.297 2.257 364 2HD LYS 42 HD2 LYS 42 -33.179 12.029 3.744 365 1HE LYS 42 HE1 LYS 42 -35.674 10.903 4.275 366 2HE LYS 42 HE2 LYS 42 -36.060 12.353 3.357 367 1HZ LYS 42 HZ1 LYS 42 -34.274 13.363 4.985 368 2HZ LYS 42 HZ2 LYS 42 -34.802 12.088 5.974 369 3HZ LYS 42 HZ3 LYS 42 -35.913 13.242 5.413 370 H GLY 43 HN GLY 43 -31.665 8.229 -0.735 371 1HA GLY 43 HA1 GLY 43 -32.809 7.706 -2.722 372 2HA GLY 43 HA2 GLY 43 -34.271 8.307 -1.945 373 H ASN 44 HN ASN 44 -32.069 5.539 -1.508 374 HA ASN 44 HA ASN 44 -33.831 3.521 -2.286 375 1HB ASN 44 HB1 ASN 44 -32.483 2.136 -0.504 376 2HB ASN 44 HB2 ASN 44 -31.583 3.628 -0.248 377 1HD2 ASN 44 HD21 ASN 44 -29.643 2.644 -1.183 378 2HD2 ASN 44 HD22 ASN 44 -29.507 2.406 -2.858 379 H LEU 45 HN LEU 45 -33.730 5.316 0.710 380 HA LEU 45 HA LEU 45 -35.288 3.578 2.320 381 1HB LEU 45 HB1 LEU 45 -35.575 6.603 2.369 382 2HB LEU 45 HB2 LEU 45 -34.060 5.867 2.853 383 HG LEU 45 HG LEU 45 -35.577 6.297 4.793 384 1HD1 LEU 45 HD11 LEU 45 -37.380 4.119 3.698 385 2HD1 LEU 45 HD12 LEU 45 -37.686 5.823 3.394 386 3HD1 LEU 45 HD13 LEU 45 -37.677 5.211 5.043 387 1HD2 LEU 45 HD21 LEU 45 -35.489 3.307 4.622 388 2HD2 LEU 45 HD22 LEU 45 -34.923 4.379 5.893 389 3HD2 LEU 45 HD23 LEU 45 -33.969 4.167 4.432 390 H THR 46 HN THR 46 -36.398 6.449 0.501 391 HA THR 46 HA THR 46 -39.157 6.011 0.823 392 HB THR 46 HB THR 46 -37.808 7.065 -1.735 393 HG1 THR 46 HG1 THR 46 -37.871 9.026 -0.526 394 1HG2 THR 46 HG21 THR 46 -40.331 6.922 -1.798 395 2HG2 THR 46 HG22 THR 46 -39.823 8.602 -1.671 396 3HG2 THR 46 HG23 THR 46 -40.411 7.750 -0.247 397 H LYS 47 HN LYS 47 -36.865 4.529 -1.360 398 HA LYS 47 HA LYS 47 -38.778 3.265 -3.085 399 1HB LYS 47 HB1 LYS 47 -36.075 2.071 -2.379 400 2HB LYS 47 HB2 LYS 47 -36.167 3.555 -3.320 401 1HG LYS 47 HG1 LYS 47 -37.659 2.385 -4.951 402 2HG LYS 47 HG2 LYS 47 -37.451 0.896 -4.034 403 1HD LYS 47 HD1 LYS 47 -35.640 0.527 -5.355 404 2HD LYS 47 HD2 LYS 47 -34.842 1.767 -4.394 405 1HE LYS 47 HE1 LYS 47 -36.257 2.090 -7.048 406 2HE LYS 47 HE2 LYS 47 -34.587 2.479 -6.655 407 1HZ LYS 47 HZ1 LYS 47 -37.040 3.902 -5.832 408 2HZ LYS 47 HZ2 LYS 47 -35.697 4.508 -6.678 409 3HZ LYS 47 HZ3 LYS 47 -35.562 4.131 -5.027 410 H HIS 48 HN HIS 48 -37.228 2.263 -0.068 411 HA HIS 48 HA HIS 48 -38.399 -0.401 -0.161 412 1HB HIS 48 HB1 HIS 48 -37.094 1.219 2.081 413 2HB HIS 48 HB2 HIS 48 -36.345 -0.058 1.128 414 HD1 HIS 48 HD1 HIS 48 -38.103 -2.319 1.354 415 HD2 HIS 48 HD2 HIS 48 -37.786 0.218 4.545 416 HE1 HIS 48 HE1 HIS 48 -38.842 -3.617 3.292 417 H MET 49 HN MET 49 -39.033 2.494 1.822 418 HA MET 49 HA MET 49 -41.270 1.452 3.209 419 1HB MET 49 HB1 MET 49 -41.949 4.001 3.219 420 2HB MET 49 HB2 MET 49 -40.426 4.248 2.374 421 1HG MET 49 HG1 MET 49 -39.885 4.502 4.652 422 2HG MET 49 HG2 MET 49 -39.325 2.907 4.225 423 1HE MET 49 HE1 MET 49 -42.197 4.231 7.387 424 2HE MET 49 HE2 MET 49 -41.753 5.118 5.928 425 3HE MET 49 HE3 MET 49 -40.522 4.718 7.127 426 H LYS 50 HN LYS 50 -40.957 2.569 -0.055 427 HA LYS 50 HA LYS 50 -43.679 3.179 -0.609 428 1HB LYS 50 HB1 LYS 50 -41.456 2.007 -2.356 429 2HB LYS 50 HB2 LYS 50 -41.906 3.701 -2.230 430 1HG LYS 50 HG1 LYS 50 -43.551 1.456 -3.452 431 2HG LYS 50 HG2 LYS 50 -42.867 2.847 -4.280 432 1HD LYS 50 HD1 LYS 50 -44.288 4.254 -2.599 433 2HD LYS 50 HD2 LYS 50 -45.186 2.760 -2.358 434 1HE LYS 50 HE1 LYS 50 -46.246 4.082 -4.133 435 2HE LYS 50 HE2 LYS 50 -45.559 2.614 -4.817 436 1HZ LYS 50 HZ1 LYS 50 -45.135 4.901 -5.928 437 2HZ LYS 50 HZ2 LYS 50 -43.885 3.754 -5.838 438 3HZ LYS 50 HZ3 LYS 50 -43.929 5.051 -4.742 439 H SER 51 HN SER 51 -41.898 0.125 -1.038 440 HA SER 51 HA SER 51 -43.896 -1.502 -2.046 441 1HB SER 51 HB1 SER 51 -42.127 -2.392 0.284 442 2HB SER 51 HB2 SER 51 -41.481 -2.155 -1.352 443 HG SER 51 HG1 SER 51 -43.209 -4.077 -0.382 444 H LYS 52 HN LYS 52 -45.547 -2.770 -1.178 445 HA LYS 52 HA LYS 52 -46.952 -1.542 1.051 446 1HB LYS 52 HB1 LYS 52 -48.707 -3.129 0.524 447 2HB LYS 52 HB2 LYS 52 -47.574 -4.224 -0.263 448 1HG LYS 52 HG1 LYS 52 -47.230 -2.678 -2.087 449 2HG LYS 52 HG2 LYS 52 -48.115 -1.408 -1.250 450 1HD LYS 52 HD1 LYS 52 -50.189 -2.678 -1.413 451 2HD LYS 52 HD2 LYS 52 -49.334 -4.057 -2.094 452 1HE LYS 52 HE1 LYS 52 -49.555 -1.307 -3.365 453 2HE LYS 52 HE2 LYS 52 -50.426 -2.747 -3.879 454 1HZ LYS 52 HZ1 LYS 52 -48.273 -3.811 -4.307 455 2HZ LYS 52 HZ2 LYS 52 -47.487 -2.357 -3.914 456 3HZ LYS 52 HZ3 LYS 52 -48.519 -2.427 -5.261 457 H ALA 53 HN ALA 53 -44.298 -2.942 1.461 458 HA ALA 53 HA ALA 53 -44.688 -5.343 2.932 459 1HB ALA 53 HB1 ALA 53 -42.447 -4.482 2.230 460 2HB ALA 53 HB2 ALA 53 -42.477 -4.777 3.966 461 3HB ALA 53 HB3 ALA 53 -42.611 -3.134 3.350 462 H HIS 54 HN HIS 54 -44.046 -2.123 4.333 463 HA HIS 54 HA HIS 54 -46.221 -2.402 6.220 464 1HB HIS 54 HB1 HIS 54 -44.851 -3.811 7.496 465 2HB HIS 54 HB2 HIS 54 -44.396 -2.249 8.162 466 HD1 HIS 54 HD1 HIS 54 -43.034 -5.032 6.281 467 HD2 HIS 54 HD2 HIS 54 -41.840 -1.220 7.147 468 HE1 HIS 54 HE1 HIS 54 -40.627 -4.978 5.831 469 H SER 55 HN SER 55 -46.833 -0.364 5.684 470 HA SER 55 HA SER 55 -44.935 1.833 6.425 471 1HB SER 55 HB1 SER 55 -46.268 3.209 4.722 472 2HB SER 55 HB2 SER 55 -47.083 1.706 4.247 473 HG SER 55 HG1 SER 55 -44.877 0.827 4.084 474 H LYS 56 HN LYS 56 -48.394 1.809 5.684 475 HA LYS 56 HA LYS 56 -48.947 2.627 8.499 476 1HB LYS 56 HB1 LYS 56 -50.614 4.331 7.391 477 2HB LYS 56 HB2 LYS 56 -49.659 4.101 5.931 478 1HG LYS 56 HG1 LYS 56 -48.505 5.878 6.876 479 2HG LYS 56 HG2 LYS 56 -47.635 4.539 7.614 480 1HD LYS 56 HD1 LYS 56 -49.425 4.695 9.497 481 2HD LYS 56 HD2 LYS 56 -49.776 6.285 8.830 482 1HE LYS 56 HE1 LYS 56 -47.423 6.947 9.117 483 2HE LYS 56 HE2 LYS 56 -47.032 5.346 9.730 484 1HZ LYS 56 HZ1 LYS 56 -47.363 6.426 11.671 485 2HZ LYS 56 HZ2 LYS 56 -48.966 5.944 11.384 486 3HZ LYS 56 HZ3 LYS 56 -48.477 7.529 11.017 487 H LYS 57 HN LYS 57 -49.399 0.114 7.303 488 HA LYS 57 HA LYS 57 -51.952 -0.294 6.218 489 1HB LYS 57 HB1 LYS 57 -51.759 -2.592 7.306 490 2HB LYS 57 HB2 LYS 57 -50.327 -2.012 8.147 491 1HG LYS 57 HG1 LYS 57 -49.362 -1.411 5.874 492 2HG LYS 57 HG2 LYS 57 -50.718 -2.269 5.151 493 1HD LYS 57 HD1 LYS 57 -48.714 -3.466 7.096 494 2HD LYS 57 HD2 LYS 57 -48.741 -3.747 5.359 495 1HE LYS 57 HE1 LYS 57 -51.241 -4.459 5.803 496 2HE LYS 57 HE2 LYS 57 -50.683 -4.680 7.456 497 1HZ LYS 57 HZ1 LYS 57 -48.758 -5.930 6.152 498 2HZ LYS 57 HZ2 LYS 57 -50.033 -6.186 5.060 499 3HZ LYS 57 LYS 57 -50.176 -6.706 6.671 Start of MODEL 31 Raw file had 499 H/Q atoms Start of MODEL 31 1 1H LYS 1 HT1 LYS 1 -7.660 -0.979 -10.303 2 2H LYS 1 HT2 LYS 1 -6.722 -2.393 -10.362 3 3H LYS 1 HT3 LYS 1 -7.217 -1.764 -8.864 4 HA LYS 1 HA LYS 1 -9.052 -2.779 -10.961 5 1HB LYS 1 HB1 LYS 1 -7.825 -4.675 -10.039 6 2HB LYS 1 HB2 LYS 1 -9.387 -4.653 -9.234 7 1HG LYS 1 HG1 LYS 1 -8.336 -3.365 -7.349 8 2HG LYS 1 HG2 LYS 1 -6.776 -3.556 -8.139 9 1HD LYS 1 HD1 LYS 1 -8.584 -5.841 -7.270 10 2HD LYS 1 HD2 LYS 1 -7.154 -5.300 -6.398 11 1HE LYS 1 HE1 LYS 1 -6.197 -6.989 -7.665 12 2HE LYS 1 HE2 LYS 1 -6.012 -5.655 -8.797 13 1HZ LYS 1 HZ1 LYS 1 -7.330 -6.665 -10.225 14 2HZ LYS 1 HZ2 LYS 1 -8.568 -6.819 -9.074 15 3HZ LYS 1 HZ3 LYS 1 -7.372 -8.018 -9.199 16 OH TYR 2 OH TYR 2 -7.537 2.814 -8.411 17 H TYR 2 HN TYR 2 -11.201 -2.645 -10.417 18 HA TYR 2 HA TYR 2 -11.953 -1.612 -7.761 19 1HB TYR 2 HB1 TYR 2 -13.124 0.344 -8.718 20 2HB TYR 2 HB2 TYR 2 -12.578 -0.089 -10.333 21 HD1 TYR 2 HD2 TYR 2 -11.402 0.950 -6.969 22 HD2 TYR 2 HD1 TYR 2 -10.388 0.515 -11.074 23 HE1 TYR 2 HE2 TYR 2 -9.351 2.238 -6.597 24 HE2 TYR 2 HE1 TYR 2 -8.324 1.786 -10.700 25 HH TYR 2 HH TYR 2 -6.809 2.192 -8.340 26 H ILE 3 HN ILE 3 -12.789 -3.926 -8.197 27 HA ILE 3 HA ILE 3 -15.597 -3.654 -9.186 28 HB ILE 3 HB ILE 3 -13.571 -5.869 -9.775 29 1HG1 ILE 3 HG11 ILE 3 -14.098 -3.660 -11.228 30 2HG1 ILE 3 HG12 ILE 3 -15.388 -4.693 -11.827 31 1HG2 ILE 3 HG21 ILE 3 -16.615 -5.827 -9.924 32 2HG2 ILE 3 HG22 ILE 3 -15.583 -7.065 -9.216 33 3HG2 ILE 3 HG23 ILE 3 -15.675 -6.891 -10.965 34 1HD1 ILE 3 HD1 ILE 3 -13.395 -5.013 -13.210 35 2HD1 ILE 3 HD2 ILE 3 -13.695 -6.478 -12.281 36 3HD1 ILE 3 HD3 ILE 3 -12.427 -5.363 -11.782 37 H CYS 4 HN CYS 4 -16.803 -3.915 -7.395 38 HA CYS 4 HA CYS 4 -15.905 -5.170 -5.028 39 1HB CYS 4 HB1 CYS 4 -18.672 -4.666 -6.132 40 2HB CYS 4 HB2 CYS 4 -17.839 -3.765 -4.894 41 H GLU 5 HN GLU 5 -15.526 -7.201 -4.588 42 HA GLU 5 HA GLU 5 -16.130 -9.307 -6.436 43 1HB GLU 5 HB1 GLU 5 -15.357 -10.730 -4.356 44 2HB GLU 5 HB2 GLU 5 -14.995 -9.168 -3.632 45 1HG GLU 5 HG1 GLU 5 -12.973 -9.890 -4.715 46 2HG GLU 5 HG2 GLU 5 -13.659 -8.636 -5.745 47 H GLU 6 HN GLU 6 -17.979 -7.866 -3.976 48 HA GLU 6 HA GLU 6 -19.556 -10.281 -3.493 49 1HB GLU 6 HB1 GLU 6 -20.198 -7.483 -2.505 50 2HB GLU 6 HB2 GLU 6 -18.958 -8.460 -1.729 51 1HG GLU 6 HG1 GLU 6 -21.784 -9.452 -2.191 52 2HG GLU 6 HG2 GLU 6 -21.281 -8.654 -0.704 53 H CYS 7 HN CYS 7 -20.558 -6.955 -4.240 54 HA CYS 7 HA CYS 7 -22.978 -7.913 -5.525 55 1HB CYS 7 HB1 CYS 7 -23.506 -5.625 -5.822 56 2HB CYS 7 HB2 CYS 7 -21.837 -5.149 -5.904 57 H GLY 8 HN GLY 8 -19.887 -6.613 -6.641 58 1HA GLY 8 HA1 GLY 8 -20.532 -7.658 -9.353 59 2HA GLY 8 HA2 GLY 8 -18.914 -7.295 -8.763 60 H ILE 9 HN ILE 9 -20.191 -4.755 -7.576 61 HA ILE 9 HA ILE 9 -21.095 -3.137 -9.712 62 HB ILE 9 HB ILE 9 -21.018 -2.751 -7.066 63 1HG1 ILE 9 HG11 ILE 9 -20.766 -0.617 -9.209 64 2HG1 ILE 9 HG12 ILE 9 -21.134 -0.232 -7.533 65 1HG2 ILE 9 HG21 ILE 9 -18.407 -2.637 -7.242 66 2HG2 ILE 9 HG22 ILE 9 -19.192 -1.370 -6.319 67 3HG2 ILE 9 HG23 ILE 9 -18.644 -1.046 -7.956 68 1HD1 ILE 9 HD1 ILE 9 -22.952 -1.068 -9.554 69 2HD1 ILE 9 HD2 ILE 9 -23.303 -0.780 -7.854 70 3HD1 ILE 9 HD3 ILE 9 -22.852 -2.390 -8.399 71 NH1 ARG 10 NH1 ARG 10 -16.284 -2.614 -18.228 72 NH2 ARG 10 NH2 ARG 10 -15.430 -4.415 -17.110 73 H ARG 10 HN ARG 10 -20.098 -1.844 -11.156 74 HA ARG 10 HA ARG 10 -17.143 -2.183 -11.402 75 1HB ARG 10 HB1 ARG 10 -19.184 -1.289 -13.496 76 2HB ARG 10 HB2 ARG 10 -18.682 -2.959 -13.281 77 1HG ARG 10 HG1 ARG 10 -16.274 -1.509 -13.439 78 2HG ARG 10 HG2 ARG 10 -17.309 -0.789 -14.664 79 1HD ARG 10 HD1 ARG 10 -17.832 -3.164 -15.447 80 2HD ARG 10 HD2 ARG 10 -16.531 -3.707 -14.389 81 HE ARG 10 HE ARG 10 -15.284 -1.772 -15.863 82 1HH1 ARG 10 HH11 ARG 10 -16.618 -1.672 -18.205 83 2HH1 ARG 10 HH12 ARG 10 -16.264 -3.117 -19.092 84 1HH2 ARG 10 HH21 ARG 10 -15.124 -4.822 -16.250 85 2HH2 ARG 10 HH22 ARG 10 -15.396 -4.948 -17.955 86 H ABA 11 HN ABU 11 -16.133 -0.490 -10.512 87 HA ABA 11 HA ABU 11 -17.011 2.241 -11.349 88 1HB ABA 11 HB1 ABU 11 -16.212 2.887 -8.927 89 2HB ABA 11 HB2 ABU 11 -16.432 1.187 -8.566 90 1HG ABA 11 HG1 ABU 11 -18.555 3.035 -9.692 91 2HG ABA 11 HG2 ABU 11 -18.484 2.439 -8.036 92 3HG ABA 11 HG3 ABU 11 -18.773 1.320 -9.363 93 H LYS 12 HN LYS 12 -15.256 1.943 -12.877 94 HA LYS 12 HA LYS 12 -12.600 1.380 -12.383 95 1HB LYS 12 HB1 LYS 12 -12.099 2.997 -14.257 96 2HB LYS 12 HB2 LYS 12 -13.749 3.600 -14.134 97 1HG LYS 12 HG1 LYS 12 -14.535 1.208 -14.498 98 2HG LYS 12 HG2 LYS 12 -12.867 0.796 -14.878 99 1HD LYS 12 HD1 LYS 12 -13.096 2.903 -16.504 100 2HD LYS 12 HD2 LYS 12 -14.803 2.481 -16.420 101 1HE LYS 12 HE1 LYS 12 -12.548 0.600 -17.195 102 2HE LYS 12 HE2 LYS 12 -13.719 1.309 -18.300 103 1HZ LYS 12 HZ1 LYS 12 -14.456 -0.854 -17.796 104 2HZ LYS 12 HZ2 LYS 12 -15.471 0.203 -16.937 105 3HZ LYS 12 HZ3 LYS 12 -14.234 -0.633 -16.127 106 H LYS 13 HN LYS 13 -14.330 4.198 -11.275 107 HA LYS 13 HA LYS 13 -11.811 5.577 -10.640 108 1HB LYS 13 HB1 LYS 13 -13.325 7.402 -9.818 109 2HB LYS 13 HB2 LYS 13 -14.703 6.336 -10.036 110 1HG LYS 13 HG1 LYS 13 -14.656 7.685 -12.003 111 2HG LYS 13 HG2 LYS 13 -14.000 6.132 -12.494 112 1HD LYS 13 HD1 LYS 13 -11.820 7.724 -11.523 113 2HD LYS 13 HD2 LYS 13 -12.750 8.709 -12.641 114 1HE LYS 13 HE1 LYS 13 -12.662 6.858 -14.307 115 2HE LYS 13 HE2 LYS 13 -11.670 5.925 -13.193 116 1HZ LYS 13 HZ1 LYS 13 -10.187 6.964 -14.644 117 2HZ LYS 13 HZ2 LYS 13 -10.113 7.889 -13.222 118 3HZ LYS 13 HZ3 LYS 13 -10.993 8.457 -14.559 119 HA PRO 14 HA PRO 14 -11.545 3.929 -6.515 120 1HB PRO 14 HB1 PRO 14 -9.577 4.939 -5.873 121 2HB PRO 14 HB2 PRO 14 -10.510 6.321 -5.297 122 1HG PRO 14 HG1 PRO 14 -8.730 6.304 -7.512 123 2HG PRO 14 HG2 PRO 14 -9.862 7.592 -7.098 124 1HD PRO 14 HD1 PRO 14 -10.997 7.089 -9.026 125 2HD PRO 14 HD2 PRO 14 -10.017 5.628 -9.263 126 H SER 15 HN SER 15 -12.137 7.421 -6.091 127 HA SER 15 HA SER 15 -13.668 7.504 -3.851 128 1HB SER 15 HB1 SER 15 -13.247 9.510 -5.290 129 2HB SER 15 HB2 SER 15 -14.983 9.390 -4.944 130 HG SER 15 HG1 SER 15 -14.040 9.500 -7.282 131 H MET 16 HN MET 16 -14.919 6.542 -7.023 132 HA MET 16 HA MET 16 -17.612 6.146 -6.111 133 1HB MET 16 HB1 MET 16 -17.640 4.613 -8.234 134 2HB MET 16 HB2 MET 16 -15.984 5.153 -8.475 135 1HG MET 16 HG1 MET 16 -18.528 6.714 -8.576 136 2HG MET 16 HG2 MET 16 -17.191 6.719 -9.694 137 1HE MET 16 HE1 MET 16 -18.987 9.057 -8.656 138 2HE MET 16 HE2 MET 16 -18.321 10.070 -7.375 139 3HE MET 16 HE3 MET 16 -19.040 8.509 -6.980 140 H LEU 17 HN LEU 17 -14.973 3.813 -6.745 141 HA LEU 17 HA LEU 17 -16.482 1.626 -5.606 142 1HB LEU 17 HB1 LEU 17 -13.449 1.754 -5.915 143 2HB LEU 17 HB2 LEU 17 -14.490 1.541 -7.302 144 HG LEU 17 HG LEU 17 -13.497 -0.610 -6.271 145 1HD1 LEU 17 HD11 LEU 17 -13.968 0.073 -3.897 146 2HD1 LEU 17 HD12 LEU 17 -14.523 -1.536 -4.325 147 3HD1 LEU 17 HD13 LEU 17 -15.676 -0.220 -4.222 148 1HD2 LEU 17 HD21 LEU 17 -15.378 -0.739 -7.833 149 2HD2 LEU 17 HD22 LEU 17 -16.517 -0.428 -6.535 150 3HD2 LEU 17 HD23 LEU 17 -15.587 -1.915 -6.547 151 H LYS 18 HN LYS 18 -13.522 3.267 -4.501 152 HA LYS 18 HA LYS 18 -13.131 2.286 -2.005 153 1HB LYS 18 HB1 LYS 18 -13.080 5.124 -3.058 154 2HB LYS 18 HB2 LYS 18 -11.734 4.111 -2.552 155 1HG LYS 18 HG1 LYS 18 -12.750 4.282 -0.170 156 2HG LYS 18 HG2 LYS 18 -13.704 5.615 -0.812 157 1HD LYS 18 HD1 LYS 18 -11.155 6.201 -1.732 158 2HD LYS 18 HD2 LYS 18 -10.846 5.531 -0.135 159 1HE LYS 18 HE1 LYS 18 -12.520 7.096 0.828 160 2HE LYS 18 HE2 LYS 18 -12.790 7.777 -0.772 161 1HZ LYS 18 HZ1 LYS 18 -11.266 9.192 0.235 162 2HZ LYS 18 HZ2 LYS 18 -10.309 8.220 -0.776 163 3HZ LYS 18 HZ3 LYS 18 -10.357 7.919 0.895 164 H LYS 19 HN LYS 19 -15.755 4.480 -2.879 165 HA LYS 19 HA LYS 19 -16.741 4.625 -0.166 166 1HB LYS 19 HB1 LYS 19 -18.860 5.466 -1.568 167 2HB LYS 19 HB2 LYS 19 -17.705 5.503 -2.894 168 1HG LYS 19 HG1 LYS 19 -16.193 6.912 -1.468 169 2HG LYS 19 HG2 LYS 19 -17.455 6.958 -0.242 170 1HD LYS 19 HD1 LYS 19 -19.006 7.855 -2.081 171 2HD LYS 19 HD2 LYS 19 -17.554 8.087 -3.050 172 1HE LYS 19 HE1 LYS 19 -17.705 10.160 -1.996 173 2HE LYS 19 HE2 LYS 19 -16.665 9.297 -0.871 174 1HZ LYS 19 HZ1 LYS 19 -18.171 9.524 0.705 175 2HZ LYS 19 HZ2 LYS 19 -19.370 8.797 -0.253 176 3HZ LYS 19 HZ3 LYS 19 -19.110 10.473 -0.345 177 H HIS 20 HN HIS 20 -17.658 2.922 -3.123 178 HA HIS 20 HA HIS 20 -19.974 1.628 -2.159 179 1HB HIS 20 HB1 HIS 20 -17.857 0.616 -4.099 180 2HB HIS 20 HB2 HIS 20 -19.283 1.548 -4.547 181 HD1 HIS 20 HD1 HIS 20 -21.251 0.086 -5.022 182 HD2 HIS 20 HD2 HIS 20 -18.456 -1.936 -2.863 183 HE1 HIS 20 HE1 HIS 20 -22.119 -2.194 -4.817 184 H ILE 21 HN ILE 21 -16.612 0.444 -2.218 185 HA ILE 21 HA ILE 21 -17.188 -1.995 -0.886 186 HB ILE 21 HB ILE 21 -15.026 -1.500 -2.047 187 1HG1 ILE 21 HG11 ILE 21 -15.139 -2.569 0.732 188 2HG1 ILE 21 HG12 ILE 21 -13.542 -2.210 0.096 189 1HG2 ILE 21 HG21 ILE 21 -14.793 0.832 -1.186 190 2HG2 ILE 21 HG22 ILE 21 -13.339 -0.099 -0.892 191 3HG2 ILE 21 HG23 ILE 21 -14.464 0.214 0.424 192 1HD1 ILE 21 HD1 ILE 21 -13.859 -3.664 -1.777 193 2HD1 ILE 21 HD2 ILE 21 -15.588 -3.795 -1.475 194 3HD1 ILE 21 HD3 ILE 21 -14.442 -4.562 -0.380 195 NH1 ARG 22 NH1 ARG 22 -14.280 6.428 4.411 196 NH2 ARG 22 NH2 ARG 22 -14.871 5.286 6.300 197 H ARG 22 HN ARG 22 -16.554 1.248 0.376 198 HA ARG 22 HA ARG 22 -16.355 0.360 3.139 199 1HB ARG 22 HB1 ARG 22 -17.018 2.890 3.512 200 2HB ARG 22 HB2 ARG 22 -16.868 3.022 1.764 201 1HG ARG 22 HG1 ARG 22 -14.557 2.211 1.869 202 2HG ARG 22 HG2 ARG 22 -14.700 1.953 3.604 203 1HD ARG 22 HD1 ARG 22 -15.480 4.666 2.817 204 2HD ARG 22 HD2 ARG 22 -13.812 4.297 2.384 205 HE ARG 22 HE ARG 22 -13.798 3.442 4.924 206 1HH1 ARG 22 HH11 ARG 22 -13.968 6.409 3.461 207 2HH1 ARG 22 HH12 ARG 22 -14.452 7.304 4.863 208 1HH2 ARG 22 HH21 ARG 22 -15.000 4.411 6.767 209 2HH2 ARG 22 HH22 ARG 22 -15.052 6.143 6.784 210 H THR 23 HN THR 23 -19.001 0.776 0.992 211 HA THR 23 HA THR 23 -20.979 1.378 3.013 212 HB THR 23 HB THR 23 -21.343 0.012 0.274 213 HG1 THR 23 HG1 THR 23 -20.869 2.580 1.233 214 1HG2 THR 23 HG21 THR 23 -23.519 -0.097 1.258 215 2HG2 THR 23 HG22 THR 23 -23.549 1.557 0.658 216 3HG2 THR 23 HG23 THR 23 -23.194 1.239 2.353 217 H HIS 24 HN HIS 24 -19.462 -1.569 1.927 218 HA HIS 24 HA HIS 24 -21.505 -3.345 2.974 219 1HB HIS 24 HB1 HIS 24 -19.462 -4.999 2.952 220 2HB HIS 24 HB2 HIS 24 -18.571 -3.668 2.219 221 HD1 HIS 24 HD1 HIS 24 -21.686 -5.641 1.517 222 HD2 HIS 24 HD2 HIS 24 -18.938 -3.399 -0.492 223 HE1 HIS 24 HE1 HIS 24 -22.235 -5.900 -0.876 224 H THR 25 HN THR 25 -19.979 -1.127 4.622 225 HA THR 25 HA THR 25 -19.087 -2.824 6.879 226 HB THR 25 HB THR 25 -18.358 -0.542 7.784 227 HG1 THR 25 HG1 THR 25 -19.799 0.106 5.478 228 1HG2 THR 25 HG21 THR 25 -17.670 -1.107 4.855 229 2HG2 THR 25 HG22 THR 25 -16.719 -1.618 6.244 230 3HG2 THR 25 HG23 THR 25 -16.828 0.090 5.832 231 H ASP 26 HN ASP 26 -20.149 0.167 7.836 232 HA ASP 26 HA ASP 26 -22.913 -0.650 8.427 233 1HB ASP 26 HB1 ASP 26 -22.569 -0.200 10.890 234 2HB ASP 26 HB2 ASP 26 -20.845 0.005 10.593 235 H VAL 27 HN VAL 27 -21.561 1.305 6.855 236 HA VAL 27 HA VAL 27 -22.113 3.838 8.285 237 HB VAL 27 HB VAL 27 -19.998 3.639 7.035 238 1HG1 VAL 27 HG11 VAL 27 -20.813 1.934 5.405 239 2HG1 VAL 27 HG12 VAL 27 -19.958 3.252 4.624 240 3HG1 VAL 27 HG13 VAL 27 -21.714 3.187 4.576 241 1HG2 VAL 27 HG21 VAL 27 -21.849 5.713 6.748 242 2HG2 VAL 27 HG22 VAL 27 -21.287 5.414 5.107 243 3HG2 VAL 27 HG23 VAL 27 -20.131 5.801 6.376 244 NH1 ARG 28 NH2 ARG 28 -27.634 -1.559 2.292 245 NH2 ARG 28 NH1 ARG 28 -26.522 -2.835 3.826 246 H ARG 28 HN ARG 28 -24.396 2.438 7.829 247 HA ARG 28 HA ARG 28 -25.709 3.866 5.550 248 1HB ARG 28 HB1 ARG 28 -27.440 1.975 5.852 249 2HB ARG 28 HB2 ARG 28 -26.283 1.221 6.942 250 1HG ARG 28 HG1 ARG 28 -24.599 1.542 4.962 251 2HG ARG 28 HG2 ARG 28 -26.046 1.706 3.980 252 1HD ARG 28 HD1 ARG 28 -26.709 -0.503 5.421 253 2HD ARG 28 HD2 ARG 28 -24.959 -0.696 5.350 254 HE ARG 28 HE ARG 28 -25.419 -0.251 2.761 255 1HH1 ARG 28 HH21 ARG 28 -27.744 -0.680 1.827 256 2HH1 ARG 28 HH22 ARG 28 -28.239 -2.323 2.066 257 1HH2 ARG 28 HH11 ARG 28 -25.797 -2.914 4.511 258 2HH2 ARG 28 HH12 ARG 28 -27.108 -3.621 3.626 259 HA PRO 29 HA PRO 29 -27.465 5.637 9.470 260 1HB PRO 29 HB1 PRO 29 -26.822 7.833 9.301 261 2HB PRO 29 HB2 PRO 29 -28.009 8.089 8.022 262 1HG PRO 29 HG1 PRO 29 -25.123 7.885 7.765 263 2HG PRO 29 HG2 PRO 29 -26.303 8.217 6.496 264 1HD PRO 29 HD1 PRO 29 -26.107 6.093 5.697 265 2HD PRO 29 HD2 PRO 29 -24.818 5.803 6.876 266 OH TYR 30 OH TYR 30 -29.104 10.635 3.136 267 H TYR 30 HN TYR 30 -28.687 5.447 6.208 268 HA TYR 30 HA TYR 30 -31.395 6.282 6.929 269 1HB TYR 30 HB1 TYR 30 -31.947 5.409 4.623 270 2HB TYR 30 HB2 TYR 30 -30.314 4.774 4.494 271 HD1 TYR 30 HD1 TYR 30 -32.052 7.991 5.331 272 HD2 TYR 30 HD2 TYR 30 -28.704 6.141 3.469 273 HE1 TYR 30 HE1 TYR 30 -31.272 10.180 4.550 274 HE2 TYR 30 HE2 TYR 30 -27.923 8.329 2.695 275 HH TYR 30 HH TYR 30 -29.738 10.968 2.496 276 H HIS 31 HN HIS 31 -32.008 4.940 8.657 277 HA HIS 31 HA HIS 31 -32.148 2.012 8.108 278 1HB HIS 31 HB1 HIS 31 -32.489 1.765 10.501 279 2HB HIS 31 HB2 HIS 31 -32.879 3.473 10.686 280 HD1 HIS 31 HD1 HIS 31 -29.972 1.316 10.004 281 HD2 HIS 31 HD2 HIS 31 -30.711 5.178 10.994 282 HE1 HIS 31 HE1 HIS 31 -27.793 2.255 10.513 283 H CYS 32 HN CYS 32 -34.052 0.941 7.834 284 HA CYS 32 HA CYS 32 -36.395 2.363 7.093 285 1HB CYS 32 HB1 CYS 32 -35.832 -0.496 7.933 286 2HB CYS 32 HB2 CYS 32 -36.235 0.104 6.345 287 H THR 33 HN THR 33 -38.418 2.572 8.173 288 HA THR 33 HA THR 33 -38.080 3.134 11.032 289 HB THR 33 HB THR 33 -40.697 3.297 9.444 290 HG1 THR 33 HG1 THR 33 -39.786 5.487 9.084 291 1HG2 THR 33 HG21 THR 33 -40.657 3.871 11.949 292 2HG2 THR 33 HG22 THR 33 -41.040 5.261 10.939 293 3HG2 THR 33 HG23 THR 33 -39.419 5.071 11.599 294 OH TYR 34 OH TYR 34 -44.762 2.420 9.215 295 H TYR 34 HN TYR 34 -38.281 0.334 9.699 296 HA TYR 34 HA TYR 34 -39.995 -0.784 11.853 297 1HB TYR 34 HB1 TYR 34 -41.060 -2.350 10.225 298 2HB TYR 34 HB2 TYR 34 -40.163 -1.608 8.909 299 HD1 TYR 34 HD2 TYR 34 -40.610 0.836 8.358 300 HD2 TYR 34 HD1 TYR 34 -43.078 -1.370 11.029 301 HE1 TYR 34 HE2 TYR 34 -42.404 2.482 8.063 302 HE2 TYR 34 HE1 TYR 34 -44.870 0.278 10.731 303 HH TYR 34 HH TYR 34 -45.602 1.957 9.263 304 H CYS 35 HN CYS 35 -38.208 -1.942 9.009 305 HA CYS 35 HA CYS 35 -37.199 -4.280 10.339 306 1HB CYS 35 HB1 CYS 35 -35.792 -4.522 8.361 307 2HB CYS 35 HB2 CYS 35 -35.981 -2.839 7.960 308 H ASN 36 HN ASN 36 -34.662 -4.567 9.966 309 HA ASN 36 HA ASN 36 -33.374 -2.431 11.614 310 1HB ASN 36 HB1 ASN 36 -32.278 -5.243 11.319 311 2HB ASN 36 HB2 ASN 36 -33.651 -4.980 12.392 312 1HD2 ASN 36 HD21 ASN 36 -30.382 -5.218 12.505 313 2HD2 ASN 36 HD22 ASN 36 -30.044 -4.169 13.796 314 H PHE 37 HN PHE 37 -33.697 -3.274 8.571 315 HA PHE 37 HA PHE 37 -30.880 -3.406 7.754 316 1HB PHE 37 HB1 PHE 37 -33.167 -2.827 5.859 317 2HB PHE 37 HB2 PHE 37 -33.071 -4.424 6.600 318 HD1 PHE 37 HD2 PHE 37 -30.902 -5.748 6.339 319 HD2 PHE 37 HD1 PHE 37 -31.716 -2.240 4.069 320 HE1 PHE 37 HE2 PHE 37 -29.176 -6.395 4.714 321 HE2 PHE 37 HE1 PHE 37 -29.987 -2.889 2.449 322 HZ PHE 37 HZ PHE 37 -28.716 -4.965 2.772 323 H SER 38 HN SER 38 -30.015 -1.825 6.200 324 HA SER 38 HA SER 38 -31.292 0.823 6.294 325 1HB SER 38 HB1 SER 38 -28.428 0.411 7.274 326 2HB SER 38 HB2 SER 38 -29.814 0.628 8.356 327 HG SER 38 HG1 SER 38 -29.399 2.676 7.985 328 H PHE 39 HN PHE 39 -29.989 2.436 5.033 329 HA PHE 39 HA PHE 39 -28.450 1.117 2.847 330 1HB PHE 39 HB1 PHE 39 -29.799 2.250 1.200 331 2HB PHE 39 HB2 PHE 39 -30.514 3.306 2.416 332 HD1 PHE 39 HD2 PHE 39 -32.061 2.318 4.142 333 HD2 PHE 39 HD1 PHE 39 -30.715 0.046 0.805 334 HE1 PHE 39 HE2 PHE 39 -33.860 0.695 4.525 335 HE2 PHE 39 HE1 PHE 39 -32.522 -1.576 1.189 336 HZ PHE 39 HZ PHE 39 -34.087 -1.257 3.059 337 H LYS 40 HN LYS 40 -27.148 2.598 1.608 338 HA LYS 40 HA LYS 40 -25.954 4.659 3.332 339 1HB LYS 40 HB1 LYS 40 -25.283 3.536 0.568 340 2HB LYS 40 HB2 LYS 40 -24.485 3.151 2.077 341 1HG LYS 40 HG1 LYS 40 -24.439 5.851 0.681 342 2HG LYS 40 HG2 LYS 40 -23.103 4.721 0.810 343 1HD LYS 40 HD1 LYS 40 -23.482 4.904 3.373 344 2HD LYS 40 HD2 LYS 40 -24.367 6.371 2.987 345 1HE LYS 40 HE1 LYS 40 -22.006 6.898 3.440 346 2HE LYS 40 HE2 LYS 40 -22.386 7.221 1.754 347 1HZ LYS 40 HZ1 LYS 40 -20.511 5.401 2.851 348 2HZ LYS 40 HZ2 LYS 40 -20.711 5.900 1.240 349 3HZ LYS 40 HZ3 LYS 40 -21.607 4.588 1.839 350 H THR 41 HN THR 41 -28.239 4.482 0.815 351 HA THR 41 HA THR 41 -28.087 7.453 0.483 352 HB THR 41 HB THR 41 -28.505 7.205 -1.890 353 HG1 THR 41 HG1 THR 41 -29.077 4.948 -2.526 354 1HG2 THR 41 HG21 THR 41 -27.057 4.566 -1.342 355 2HG2 THR 41 HG22 THR 41 -26.227 6.088 -1.034 356 3HG2 THR 41 HG23 THR 41 -26.770 5.696 -2.662 357 H LYS 42 HN LYS 42 -30.080 8.478 -0.017 358 HA LYS 42 HA LYS 42 -32.277 7.358 1.482 359 1HB LYS 42 HB1 LYS 42 -31.986 9.874 -0.219 360 2HB LYS 42 HB2 LYS 42 -31.885 9.780 1.535 361 1HG LYS 42 HG1 LYS 42 -34.286 8.837 1.451 362 2HG LYS 42 HG2 LYS 42 -34.322 9.401 -0.217 363 1HD LYS 42 HD1 LYS 42 -33.782 11.688 0.532 364 2HD LYS 42 HD2 LYS 42 -33.702 11.133 2.200 365 1HE LYS 42 HE1 LYS 42 -35.918 12.206 1.456 366 2HE LYS 42 HE2 LYS 42 -36.035 10.647 2.261 367 1HZ LYS 42 HZ1 LYS 42 -35.799 10.727 -0.662 368 2HZ LYS 42 HZ2 LYS 42 -37.297 11.083 0.055 369 3HZ LYS 42 HZ3 LYS 42 -36.560 9.578 0.331 370 H GLY 43 HN GLY 43 -31.271 7.340 -1.787 371 1HA GLY 43 HA1 GLY 43 -32.274 6.434 -3.709 372 2HA GLY 43 HA2 GLY 43 -33.781 7.129 -3.120 373 H ASN 44 HN ASN 44 -31.595 4.484 -2.168 374 HA ASN 44 HA ASN 44 -33.319 2.356 -2.708 375 1HB ASN 44 HB1 ASN 44 -32.021 1.262 -0.696 376 2HB ASN 44 HB2 ASN 44 -31.144 2.787 -0.636 377 1HD2 ASN 44 HD21 ASN 44 -30.689 3.482 -3.217 378 2HD2 ASN 44 HD22 ASN 44 -29.861 2.264 -4.060 379 H LEU 45 HN LEU 45 -33.260 4.509 0.062 380 HA LEU 45 HA LEU 45 -34.893 3.048 1.838 381 1HB LEU 45 HB1 LEU 45 -35.192 6.039 1.406 382 2HB LEU 45 HB2 LEU 45 -33.691 5.399 2.050 383 HG LEU 45 HG LEU 45 -35.285 6.118 3.845 384 1HD1 LEU 45 HD11 LEU 45 -37.032 3.773 3.040 385 2HD1 LEU 45 HD12 LEU 45 -37.342 5.410 2.477 386 3HD1 LEU 45 HD13 LEU 45 -37.381 5.047 4.197 387 1HD2 LEU 45 HD21 LEU 45 -34.656 4.407 5.255 388 2HD2 LEU 45 HD22 LEU 45 -33.654 3.982 3.879 389 3HD2 LEU 45 HD23 LEU 45 -35.169 3.141 4.150 390 H THR 46 HN THR 46 -35.960 5.625 -0.388 391 HA THR 46 HA THR 46 -38.724 5.196 -0.098 392 HB THR 46 HB THR 46 -37.259 5.974 -2.694 393 HG1 THR 46 HG1 THR 46 -36.625 7.158 -0.842 394 1HG2 THR 46 HG21 THR 46 -39.311 7.031 -3.298 395 2HG2 THR 46 HG22 THR 46 -39.839 7.165 -1.624 396 3HG2 THR 46 HG23 THR 46 -39.938 5.617 -2.458 397 H LYS 47 HN LYS 47 -36.357 3.495 -2.039 398 HA LYS 47 HA LYS 47 -38.238 2.006 -3.624 399 1HB LYS 47 HB1 LYS 47 -35.501 0.989 -2.762 400 2HB LYS 47 HB2 LYS 47 -35.651 2.301 -3.925 401 1HG LYS 47 HG1 LYS 47 -37.395 -0.018 -4.479 402 2HG LYS 47 HG2 LYS 47 -35.673 -0.366 -4.586 403 1HD LYS 47 HD1 LYS 47 -35.352 1.474 -6.158 404 2HD LYS 47 HD2 LYS 47 -37.031 1.968 -5.974 405 1HE LYS 47 HE1 LYS 47 -36.373 0.471 -8.021 406 2HE LYS 47 HE2 LYS 47 -37.844 0.094 -7.134 407 1HZ LYS 47 HZ1 LYS 47 -36.883 -1.708 -6.120 408 2HZ LYS 47 HZ2 LYS 47 -35.298 -1.141 -6.339 409 3HZ LYS 47 HZ3 LYS 47 -36.166 -1.765 -7.658 410 H HIS 48 HN HIS 48 -36.872 1.540 -0.428 411 HA HIS 48 HA HIS 48 -37.980 -1.178 -0.241 412 1HB HIS 48 HB1 HIS 48 -36.557 0.654 1.752 413 2HB HIS 48 HB2 HIS 48 -35.899 -0.776 0.962 414 HD1 HIS 48 HD1 HIS 48 -37.468 -2.975 1.597 415 HD2 HIS 48 HD2 HIS 48 -37.525 0.115 4.274 416 HE1 HIS 48 HE1 HIS 48 -38.298 -3.939 3.685 417 H MET 49 HN MET 49 -38.985 2.036 0.420 418 HA MET 49 HA MET 49 -41.071 1.138 2.314 419 1HB MET 49 HB1 MET 49 -41.673 3.696 2.087 420 2HB MET 49 HB2 MET 49 -40.129 3.823 1.252 421 1HG MET 49 HG1 MET 49 -39.653 4.265 3.529 422 2HG MET 49 HG2 MET 49 -39.080 2.648 3.220 423 1HE MET 49 HE1 MET 49 -40.057 4.004 6.554 424 2HE MET 49 HE2 MET 49 -38.747 3.391 5.545 425 3HE MET 49 HE3 MET 49 -39.535 2.326 6.710 426 H LYS 50 HN LYS 50 -40.707 2.090 -1.021 427 HA LYS 50 HA LYS 50 -43.458 2.608 -1.594 428 1HB LYS 50 HB1 LYS 50 -41.570 1.263 -3.560 429 2HB LYS 50 HB2 LYS 50 -41.288 2.929 -3.067 430 1HG LYS 50 HG1 LYS 50 -44.066 2.205 -3.895 431 2HG LYS 50 HG2 LYS 50 -42.853 2.317 -5.165 432 1HD LYS 50 HD1 LYS 50 -42.265 4.588 -4.449 433 2HD LYS 50 HD2 LYS 50 -43.391 4.479 -3.101 434 1HE LYS 50 HE1 LYS 50 -45.173 4.950 -4.423 435 2HE LYS 50 HE2 LYS 50 -44.648 3.819 -5.664 436 1HZ LYS 50 HZ1 LYS 50 -44.706 6.205 -6.337 437 2HZ LYS 50 HZ2 LYS 50 -43.221 5.425 -6.596 438 3HZ LYS 50 HZ3 LYS 50 -43.408 6.479 -5.277 439 H SER 51 HN SER 51 -41.628 -0.344 -1.264 440 HA SER 51 HA SER 51 -43.478 -2.108 -2.540 441 1HB SER 51 HB1 SER 51 -41.454 -2.507 -0.277 442 2HB SER 51 HB2 SER 51 -41.277 -2.978 -1.978 443 HG SER 51 HG1 SER 51 -42.153 -4.781 -1.328 444 H LYS 52 HN LYS 52 -45.031 -3.507 -1.597 445 HA LYS 52 HA LYS 52 -46.687 -2.185 0.377 446 1HB LYS 52 HB1 LYS 52 -47.728 -3.545 -1.381 447 2HB LYS 52 HB2 LYS 52 -48.064 -4.318 0.163 448 1HG LYS 52 HG1 LYS 52 -46.109 -5.829 -0.200 449 2HG LYS 52 HG2 LYS 52 -45.860 -5.091 -1.778 450 1HD LYS 52 HD1 LYS 52 -47.232 -6.775 -2.497 451 2HD LYS 52 HD2 LYS 52 -48.511 -5.705 -1.935 452 1HE LYS 52 HE1 LYS 52 -47.251 -8.026 -0.452 453 2HE LYS 52 HE2 LYS 52 -48.937 -7.836 -0.918 454 1HZ LYS 52 HZ1 LYS 52 -48.729 -7.350 1.382 455 2HZ LYS 52 HZ2 LYS 52 -49.025 -5.886 0.575 456 3HZ LYS 52 HZ3 LYS 52 -47.457 -6.260 1.108 457 H ALA 53 HN ALA 53 -43.897 -3.329 1.045 458 HA ALA 53 HA ALA 53 -44.106 -5.473 2.850 459 1HB ALA 53 HB1 ALA 53 -42.367 -2.961 2.947 460 2HB ALA 53 HB2 ALA 53 -41.924 -4.524 2.268 461 3HB ALA 53 HB3 ALA 53 -42.121 -4.344 4.008 462 H HIS 54 HN HIS 54 -43.492 -2.318 4.270 463 HA HIS 54 HA HIS 54 -45.967 -2.530 5.866 464 1HB HIS 54 HB1 HIS 54 -44.638 -3.578 7.455 465 2HB HIS 54 HB2 HIS 54 -44.263 -1.913 7.872 466 HD1 HIS 54 HD1 HIS 54 -42.746 -4.901 6.474 467 HD2 HIS 54 HD2 HIS 54 -41.665 -0.980 6.904 468 HE1 HIS 54 HE1 HIS 54 -40.319 -4.854 6.169 469 H SER 55 HN SER 55 -46.613 -0.673 4.784 470 HA SER 55 HA SER 55 -45.486 1.794 5.966 471 1HB SER 55 HB1 SER 55 -45.687 1.187 2.972 472 2HB SER 55 HB2 SER 55 -44.273 1.775 3.868 473 HG SER 55 HG1 SER 55 -45.527 3.431 2.743 474 H LYS 56 HN LYS 56 -47.665 1.205 7.001 475 HA LYS 56 HA LYS 56 -50.048 1.745 5.415 476 1HB LYS 56 HB1 LYS 56 -51.209 1.587 7.605 477 2HB LYS 56 HB2 LYS 56 -49.668 1.684 8.449 478 1HG LYS 56 HG1 LYS 56 -48.948 -0.405 7.239 479 2HG LYS 56 HG2 LYS 56 -50.575 -0.528 6.578 480 1HD LYS 56 HD1 LYS 56 -50.845 -1.832 8.473 481 2HD LYS 56 HD2 LYS 56 -51.245 -0.259 9.153 482 1HE LYS 56 HE1 LYS 56 -49.649 -0.987 10.684 483 2HE LYS 56 HE2 LYS 56 -48.627 -0.117 9.547 484 1HZ LYS 56 HZ1 LYS 56 -48.517 -2.812 10.257 485 2HZ LYS 56 HZ2 LYS 56 -47.533 -1.973 9.156 486 3HZ LYS 56 HZ3 LYS 56 -48.952 -2.734 8.618 487 H LYS 57 HN LYS 57 -48.399 3.858 5.002 488 HA LYS 57 HA LYS 57 -48.590 6.049 6.740 489 1HB LYS 57 HB1 LYS 57 -48.860 6.369 3.735 490 2HB LYS 57 HB2 LYS 57 -47.360 5.755 4.422 491 1HG LYS 57 HG1 LYS 57 -47.238 7.769 5.888 492 2HG LYS 57 HG2 LYS 57 -48.696 8.391 5.123 493 1HD LYS 57 HD1 LYS 57 -47.444 8.137 2.891 494 2HD LYS 57 HD2 LYS 57 -45.989 7.913 3.856 495 1HE LYS 57 HE1 LYS 57 -47.665 10.359 3.490 496 2HE LYS 57 HE2 LYS 57 -45.917 10.212 3.614 497 1HZ LYS 57 HZ1 LYS 57 -45.997 10.101 5.898 498 2HZ LYS 57 HZ2 LYS 57 -47.626 9.623 5.937 499 3HZ LYS 57 LYS 57 -47.220 11.227 5.555 Start of MODEL 32 Raw file had 499 H/Q atoms Start of MODEL 32 1 1H LYS 1 HT1 LYS 1 -14.673 -11.742 -7.756 2 2H LYS 1 HT2 LYS 1 -13.526 -12.291 -6.630 3 3H LYS 1 HT3 LYS 1 -13.285 -12.564 -8.289 4 HA LYS 1 HA LYS 1 -11.952 -10.717 -7.235 5 1HB LYS 1 HB1 LYS 1 -12.180 -9.327 -9.249 6 2HB LYS 1 HB2 LYS 1 -13.790 -9.966 -9.561 7 1HG LYS 1 HG1 LYS 1 -12.984 -12.020 -10.291 8 2HG LYS 1 HG2 LYS 1 -11.517 -11.905 -9.326 9 1HD LYS 1 HD1 LYS 1 -11.074 -11.609 -11.768 10 2HD LYS 1 HD2 LYS 1 -10.619 -10.193 -10.829 11 1HE LYS 1 HE1 LYS 1 -12.011 -9.823 -12.996 12 2HE LYS 1 HE2 LYS 1 -12.504 -8.963 -11.542 13 1HZ LYS 1 HZ1 LYS 1 -13.652 -11.603 -11.927 14 2HZ LYS 1 HZ2 LYS 1 -14.164 -10.399 -13.009 15 3HZ LYS 1 HZ3 LYS 1 -14.365 -10.179 -11.337 16 OH TYR 2 OH TYR 2 -8.661 -5.060 -7.046 17 H TYR 2 HN TYR 2 -13.571 -8.309 -8.524 18 HA TYR 2 HA TYR 2 -14.389 -7.279 -5.894 19 1HB TYR 2 HB1 TYR 2 -14.782 -5.171 -7.171 20 2HB TYR 2 HB2 TYR 2 -14.485 -6.030 -8.679 21 HD1 TYR 2 HD2 TYR 2 -12.908 -5.008 -5.477 22 HD2 TYR 2 HD1 TYR 2 -12.254 -6.450 -9.423 23 HE1 TYR 2 HE2 TYR 2 -10.504 -4.586 -5.233 24 HE2 TYR 2 HE1 TYR 2 -9.850 -6.041 -9.175 25 HH TYR 2 HH TYR 2 -8.195 -5.673 -7.620 26 H ILE 3 HN ILE 3 -16.011 -9.336 -6.417 27 HA ILE 3 HA ILE 3 -18.586 -8.037 -7.221 28 HB ILE 3 HB ILE 3 -17.945 -11.017 -7.349 29 1HG1 ILE 3 HG11 ILE 3 -16.397 -9.834 -8.839 30 2HG1 ILE 3 HG12 ILE 3 -17.730 -8.924 -9.543 31 1HG2 ILE 3 HG21 ILE 3 -19.970 -9.418 -8.969 32 2HG2 ILE 3 HG22 ILE 3 -20.368 -9.986 -7.350 33 3HG2 ILE 3 HG23 ILE 3 -19.978 -11.144 -8.618 34 1HD1 ILE 3 HD1 ILE 3 -18.663 -10.863 -10.557 35 2HD1 ILE 3 HD2 ILE 3 -17.714 -11.949 -9.546 36 3HD1 ILE 3 HD3 ILE 3 -16.930 -11.026 -10.825 37 H CYS 4 HN CYS 4 -19.812 -7.696 -5.460 38 HA CYS 4 HA CYS 4 -19.285 -8.957 -2.963 39 1HB CYS 4 HB1 CYS 4 -21.745 -7.536 -4.007 40 2HB CYS 4 HB2 CYS 4 -20.489 -6.855 -3.013 41 H GLU 5 HN GLU 5 -19.492 -11.018 -2.603 42 HA GLU 5 HA GLU 5 -21.087 -12.813 -4.102 43 1HB GLU 5 HB1 GLU 5 -20.739 -14.278 -1.938 44 2HB GLU 5 HB2 GLU 5 -19.752 -12.932 -1.382 45 1HG GLU 5 HG1 GLU 5 -19.336 -14.637 -3.852 46 2HG GLU 5 HG2 GLU 5 -18.240 -14.426 -2.490 47 H GLU 6 HN GLU 6 -21.962 -10.669 -1.562 48 HA GLU 6 HA GLU 6 -24.299 -12.208 -0.777 49 1HB GLU 6 HB1 GLU 6 -23.861 -9.280 -0.144 50 2HB GLU 6 HB2 GLU 6 -22.887 -10.507 0.657 51 1HG GLU 6 HG1 GLU 6 -24.917 -11.621 1.480 52 2HG GLU 6 HG2 GLU 6 -25.926 -10.459 0.621 53 H CYS 7 HN CYS 7 -24.018 -8.872 -2.003 54 HA CYS 7 HA CYS 7 -26.749 -8.981 -3.018 55 1HB CYS 7 HB1 CYS 7 -26.350 -6.732 -3.774 56 2HB CYS 7 HB2 CYS 7 -24.627 -6.960 -3.790 57 H GLY 8 HN GLY 8 -23.558 -8.651 -4.525 58 1HA GLY 8 HA1 GLY 8 -24.686 -9.909 -6.994 59 2HA GLY 8 HA2 GLY 8 -23.022 -10.127 -6.458 60 H ILE 9 HN ILE 9 -23.151 -7.151 -5.643 61 HA ILE 9 HA ILE 9 -23.476 -5.642 -8.029 62 HB ILE 9 HB ILE 9 -23.249 -4.847 -5.533 63 1HG1 ILE 9 HG11 ILE 9 -22.220 -3.520 -8.013 64 2HG1 ILE 9 HG12 ILE 9 -21.969 -2.709 -6.471 65 1HG2 ILE 9 HG21 ILE 9 -20.329 -4.554 -6.384 66 2HG2 ILE 9 HG22 ILE 9 -20.869 -5.933 -5.434 67 3HG2 ILE 9 HG23 ILE 9 -21.019 -4.310 -4.787 68 1HD1 ILE 9 HD1 ILE 9 -24.683 -3.826 -7.138 69 2HD1 ILE 9 HD2 ILE 9 -24.193 -2.273 -7.808 70 3HD1 ILE 9 HD3 ILE 9 -24.269 -2.495 -6.063 71 NH1 ARG 10 NH2 ARG 10 -20.340 -9.154 -15.571 72 NH2 ARG 10 NH1 ARG 10 -19.608 -10.819 -14.188 73 H ARG 10 HN ARG 10 -22.185 -5.317 -9.731 74 HA ARG 10 HA ARG 10 -19.517 -6.662 -9.695 75 1HB ARG 10 HB1 ARG 10 -21.084 -5.664 -12.113 76 2HB ARG 10 HB2 ARG 10 -21.324 -7.269 -11.434 77 1HG ARG 10 HG1 ARG 10 -18.489 -6.640 -11.820 78 2HG ARG 10 HG2 ARG 10 -19.396 -6.568 -13.326 79 1HD ARG 10 HD1 ARG 10 -19.639 -8.896 -11.399 80 2HD ARG 10 HD2 ARG 10 -18.459 -8.870 -12.707 81 HE ARG 10 HE ARG 10 -21.407 -8.675 -13.192 82 1HH1 ARG 10 HH21 ARG 10 -20.747 -8.247 -15.678 83 2HH1 ARG 10 HH22 ARG 10 -20.088 -9.687 -16.379 84 1HH2 ARG 10 HH11 ARG 10 -19.467 -11.161 -13.260 85 2HH2 ARG 10 HH12 ARG 10 -19.344 -11.380 -14.973 86 H ABA 11 HN ABU 11 -18.048 -5.192 -9.047 87 HA ABA 11 HA ABU 11 -18.009 -2.576 -10.520 88 1HB ABA 11 HB1 ABU 11 -16.932 -1.636 -8.496 89 2HB ABA 11 HB2 ABU 11 -16.993 -3.198 -7.713 90 1HG ABA 11 HG1 ABU 11 -18.893 -1.991 -6.889 91 2HG ABA 11 HG2 ABU 11 -19.531 -3.128 -8.073 92 3HG ABA 11 HG3 ABU 11 -19.320 -1.432 -8.503 93 H LYS 12 HN LYS 12 -16.565 -2.932 -12.071 94 HA LYS 12 HA LYS 12 -14.291 -4.610 -11.878 95 1HB LYS 12 HB1 LYS 12 -13.594 -3.490 -13.982 96 2HB LYS 12 HB2 LYS 12 -14.758 -2.203 -13.691 97 1HG LYS 12 HG1 LYS 12 -16.606 -3.834 -13.785 98 2HG LYS 12 HG2 LYS 12 -15.454 -5.140 -14.033 99 1HD LYS 12 HD1 LYS 12 -14.665 -3.974 -16.116 100 2HD LYS 12 HD2 LYS 12 -15.946 -2.788 -15.889 101 1HE LYS 12 HE1 LYS 12 -16.201 -5.734 -16.504 102 2HE LYS 12 HE2 LYS 12 -16.902 -4.372 -17.369 103 1HZ LYS 12 HZ1 LYS 12 -18.105 -3.965 -15.135 104 2HZ LYS 12 HZ2 LYS 12 -17.751 -5.600 -14.841 105 3HZ LYS 12 HZ3 LYS 12 -18.680 -5.162 -16.193 106 H LYS 13 HN LYS 13 -14.696 -2.091 -9.956 107 HA LYS 13 HA LYS 13 -11.789 -1.498 -9.948 108 1HB LYS 13 HB1 LYS 13 -12.472 0.933 -9.364 109 2HB LYS 13 HB2 LYS 13 -14.087 0.488 -9.906 110 1HG LYS 13 HG1 LYS 13 -13.156 -0.175 -12.109 111 2HG LYS 13 HG2 LYS 13 -11.549 0.286 -11.565 112 1HD LYS 13 HD1 LYS 13 -13.672 2.349 -11.248 113 2HD LYS 13 HD2 LYS 13 -13.195 1.981 -12.899 114 1HE LYS 13 HE1 LYS 13 -11.171 2.550 -10.721 115 2HE LYS 13 HE2 LYS 13 -11.856 3.823 -11.722 116 1HZ LYS 13 HZ1 LYS 13 -11.108 1.963 -13.533 117 2HZ LYS 13 HZ2 LYS 13 -9.876 1.851 -12.368 118 3HZ LYS 13 HZ3 LYS 13 -10.209 3.341 -13.110 119 HA PRO 14 HA PRO 14 -12.136 -2.231 -5.585 120 1HB PRO 14 HB1 PRO 14 -9.904 -1.979 -5.050 121 2HB PRO 14 HB2 PRO 14 -10.215 -0.271 -4.744 122 1HG PRO 14 HG1 PRO 14 -8.618 -1.321 -6.836 123 2HG PRO 14 HG2 PRO 14 -9.182 0.346 -6.700 124 1HD PRO 14 HD1 PRO 14 -10.446 -0.026 -8.577 125 2HD PRO 14 HD2 PRO 14 -10.090 -1.764 -8.512 126 H SER 15 HN SER 15 -11.249 1.209 -5.759 127 HA SER 15 HA SER 15 -12.558 2.335 -3.698 128 1HB SER 15 HB1 SER 15 -11.471 3.476 -5.817 129 2HB SER 15 HB2 SER 15 -12.771 4.364 -5.001 130 HG SER 15 HG1 SER 15 -14.117 3.882 -6.575 131 H MET 16 HN MET 16 -14.243 1.318 -6.647 132 HA MET 16 HA MET 16 -16.832 2.176 -5.721 133 1HB MET 16 HB1 MET 16 -17.548 0.395 -7.533 134 2HB MET 16 HB2 MET 16 -15.821 0.283 -7.863 135 1HG MET 16 HG1 MET 16 -15.745 2.735 -8.180 136 2HG MET 16 HG2 MET 16 -17.463 2.819 -7.902 137 1HE MET 16 HE1 MET 16 -19.063 1.481 -9.047 138 2HE MET 16 HE2 MET 16 -19.128 1.263 -10.797 139 3HE MET 16 HE3 MET 16 -19.210 2.885 -10.107 140 H LEU 17 HN LEU 17 -15.318 -1.062 -5.900 141 HA LEU 17 HA LEU 17 -17.458 -2.357 -4.488 142 1HB LEU 17 HB1 LEU 17 -14.548 -3.263 -4.478 143 2HB LEU 17 HB2 LEU 17 -15.509 -3.373 -5.932 144 HG LEU 17 HG LEU 17 -15.445 -5.519 -4.600 145 1HD1 LEU 17 HD11 LEU 17 -15.487 -4.281 -2.370 146 2HD1 LEU 17 HD12 LEU 17 -16.499 -5.712 -2.491 147 3HD1 LEU 17 HD13 LEU 17 -17.222 -4.118 -2.606 148 1HD2 LEU 17 HD21 LEU 17 -18.290 -4.497 -4.590 149 2HD2 LEU 17 HD22 LEU 17 -17.696 -6.103 -4.978 150 3HD2 LEU 17 HD23 LEU 17 -17.435 -4.776 -6.094 151 H LYS 18 HN LYS 18 -14.179 -1.440 -3.460 152 HA LYS 18 HA LYS 18 -14.081 -2.017 -0.828 153 1HB LYS 18 HB1 LYS 18 -13.097 0.438 -0.545 154 2HB LYS 18 HB2 LYS 18 -13.345 0.543 -2.282 155 1HG LYS 18 HG1 LYS 18 -11.902 -1.362 -2.673 156 2HG LYS 18 HG2 LYS 18 -11.796 -1.700 -0.950 157 1HD LYS 18 HD1 LYS 18 -11.048 1.058 -1.557 158 2HD LYS 18 HD2 LYS 18 -10.039 -0.096 -2.420 159 1HE LYS 18 HE1 LYS 18 -9.611 -1.293 -0.272 160 2HE LYS 18 HE2 LYS 18 -10.563 -0.076 0.572 161 1HZ LYS 18 HZ1 LYS 18 -8.943 1.558 -0.547 162 2HZ LYS 18 HZ2 LYS 18 -7.946 0.198 -0.739 163 3HZ LYS 18 HZ3 LYS 18 -8.426 0.685 0.815 164 H LYS 19 HN LYS 19 -15.756 0.895 -2.032 165 HA LYS 19 HA LYS 19 -16.785 1.576 0.545 166 1HB LYS 19 HB1 LYS 19 -18.576 2.710 -1.208 167 2HB LYS 19 HB2 LYS 19 -17.212 2.428 -2.284 168 1HG LYS 19 HG1 LYS 19 -15.720 3.615 -0.695 169 2HG LYS 19 HG2 LYS 19 -17.093 3.909 0.367 170 1HD LYS 19 HD1 LYS 19 -18.037 4.826 -2.057 171 2HD LYS 19 HD2 LYS 19 -16.336 5.269 -2.135 172 1HE LYS 19 HE1 LYS 19 -16.629 6.223 0.230 173 2HE LYS 19 HE2 LYS 19 -18.361 6.039 -0.017 174 1HZ LYS 19 HZ1 LYS 19 -16.507 7.657 -1.672 175 2HZ LYS 19 HZ2 LYS 19 -17.687 8.245 -0.601 176 3HZ LYS 19 HZ3 LYS 19 -18.155 7.423 -2.012 177 H HIS 20 HN HIS 20 -18.043 -0.325 -2.145 178 HA HIS 20 HA HIS 20 -20.693 -0.636 -1.146 179 1HB HIS 20 HB1 HIS 20 -19.010 -2.567 -2.803 180 2HB HIS 20 HB2 HIS 20 -20.056 -1.312 -3.463 181 HD1 HIS 20 HD1 HIS 20 -22.386 -2.138 -3.823 182 HD2 HIS 20 HD2 HIS 20 -20.427 -4.524 -1.174 183 HE1 HIS 20 HE1 HIS 20 -23.952 -3.943 -3.287 184 H ILE 21 HN ILE 21 -17.871 -2.812 -0.848 185 HA ILE 21 HA ILE 21 -19.163 -4.716 0.779 186 HB ILE 21 HB ILE 21 -16.655 -4.566 -0.252 187 1HG1 ILE 21 HG11 ILE 21 -17.483 -6.092 2.246 188 2HG1 ILE 21 HG12 ILE 21 -16.028 -6.442 1.324 189 1HG2 ILE 21 HG21 ILE 21 -16.122 -2.793 1.589 190 2HG2 ILE 21 HG22 ILE 21 -14.984 -4.111 1.428 191 3HG2 ILE 21 HG23 ILE 21 -16.165 -4.122 2.730 192 1HD1 ILE 21 HD1 ILE 21 -17.280 -7.755 -0.028 193 2HD1 ILE 21 HD2 ILE 21 -18.127 -6.315 -0.579 194 3HD1 ILE 21 HD3 ILE 21 -18.760 -7.242 0.775 195 NH1 ARG 22 NH1 ARG 22 -13.601 -0.274 5.623 196 NH2 ARG 22 NH2 ARG 22 -12.259 -0.787 3.845 197 H ARG 22 HN ARG 22 -17.873 -1.561 1.556 198 HA ARG 22 HA ARG 22 -18.016 -1.972 4.444 199 1HB ARG 22 HB1 ARG 22 -17.956 0.670 4.330 200 2HB ARG 22 HB2 ARG 22 -17.678 0.429 2.610 201 1HG ARG 22 HG1 ARG 22 -15.702 -0.935 3.078 202 2HG ARG 22 HG2 ARG 22 -16.005 -0.827 4.808 203 1HD ARG 22 HD1 ARG 22 -15.429 1.452 4.896 204 2HD ARG 22 HD2 ARG 22 -15.718 1.690 3.174 205 HE ARG 22 HE ARG 22 -13.435 1.209 2.907 206 1HH1 ARG 22 HH11 ARG 22 -14.361 0.258 5.996 207 2HH1 ARG 22 HH12 ARG 22 -13.115 -0.928 6.203 208 1HH2 ARG 22 HH21 ARG 22 -12.014 -0.638 2.887 209 2HH2 ARG 22 HH22 ARG 22 -11.750 -1.449 4.395 210 H THR 23 HN THR 23 -20.293 -1.189 1.971 211 HA THR 23 HA THR 23 -22.135 0.186 3.730 212 HB THR 23 HB THR 23 -22.889 -1.358 1.173 213 HG1 THR 23 HG1 THR 23 -21.182 -0.126 0.612 214 1HG2 THR 23 HG21 THR 23 -24.898 -0.256 1.826 215 2HG2 THR 23 HG22 THR 23 -24.106 1.111 1.057 216 3HG2 THR 23 HG23 THR 23 -24.051 0.934 2.804 217 H HIS 24 HN HIS 24 -21.037 -2.836 3.980 218 HA HIS 24 HA HIS 24 -23.693 -4.003 4.744 219 1HB HIS 24 HB1 HIS 24 -22.161 -6.140 4.942 220 2HB HIS 24 HB2 HIS 24 -20.978 -5.189 4.052 221 HD1 HIS 24 HD1 HIS 24 -24.609 -6.078 3.583 222 HD2 HIS 24 HD2 HIS 24 -21.260 -5.427 1.351 223 HE1 HIS 24 HE1 HIS 24 -25.267 -6.529 1.245 224 H THR 25 HN THR 25 -21.409 -2.221 6.145 225 HA THR 25 HA THR 25 -21.150 -3.837 8.615 226 HB THR 25 HB THR 25 -19.807 -1.584 9.236 227 HG1 THR 25 HG1 THR 25 -20.835 -1.206 6.813 228 1HG2 THR 25 HG21 THR 25 -18.765 -3.180 6.851 229 2HG2 THR 25 HG22 THR 25 -18.806 -3.898 8.458 230 3HG2 THR 25 HG23 THR 25 -17.818 -2.473 8.156 231 H ASP 26 HN ASP 26 -21.327 -0.374 8.697 232 HA ASP 26 HA ASP 26 -24.091 -0.336 9.639 233 1HB ASP 26 HB1 ASP 26 -23.233 0.775 11.870 234 2HB ASP 26 HB2 ASP 26 -21.710 -0.030 11.500 235 H VAL 27 HN VAL 27 -22.233 0.878 7.702 236 HA VAL 27 HA VAL 27 -22.340 3.727 8.500 237 HB VAL 27 HB VAL 27 -20.231 2.929 7.556 238 1HG1 VAL 27 HG11 VAL 27 -21.968 1.888 5.312 239 2HG1 VAL 27 HG12 VAL 27 -20.982 0.946 6.423 240 3HG1 VAL 27 HG13 VAL 27 -20.213 1.973 5.218 241 1HG2 VAL 27 HG21 VAL 27 -19.927 4.753 6.229 242 2HG2 VAL 27 HG22 VAL 27 -21.630 5.088 6.524 243 3HG2 VAL 27 HG23 VAL 27 -21.142 4.214 5.074 244 NH1 ARG 28 NH1 ARG 28 -27.257 -2.666 5.201 245 NH2 ARG 28 NH2 ARG 28 -27.658 -1.813 7.283 246 H ARG 28 HN ARG 28 -24.797 2.742 8.187 247 HA ARG 28 HA ARG 28 -25.738 3.974 5.646 248 1HB ARG 28 HB1 ARG 28 -27.596 2.154 5.838 249 2HB ARG 28 HB2 ARG 28 -26.504 1.364 6.971 250 1HG ARG 28 HG1 ARG 28 -24.723 1.733 5.057 251 2HG ARG 28 HG2 ARG 28 -26.141 1.842 4.027 252 1HD ARG 28 HD1 ARG 28 -25.088 -0.503 5.550 253 2HD ARG 28 HD2 ARG 28 -25.836 -0.446 3.956 254 HE ARG 28 HE ARG 28 -27.913 0.208 5.609 255 1HH1 ARG 28 HH11 ARG 28 -27.037 -2.507 4.238 256 2HH1 ARG 28 HH12 ARG 28 -27.391 -3.599 5.536 257 1HH2 ARG 28 HH21 ARG 28 -27.738 -1.015 7.881 258 2HH2 ARG 28 HH22 ARG 28 -27.799 -2.732 7.653 259 HA PRO 29 HA PRO 29 -27.687 5.975 9.370 260 1HB PRO 29 HB1 PRO 29 -27.144 8.183 9.083 261 2HB PRO 29 HB2 PRO 29 -28.123 8.284 7.620 262 1HG PRO 29 HG1 PRO 29 -25.211 8.005 7.854 263 2HG PRO 29 HG2 PRO 29 -26.169 8.352 6.412 264 1HD PRO 29 HD1 PRO 29 -26.023 6.192 5.717 265 2HD PRO 29 HD2 PRO 29 -24.874 5.892 7.033 266 OH TYR 30 OH TYR 30 -29.198 10.778 3.143 267 H TYR 30 HN TYR 30 -28.829 5.473 6.112 268 HA TYR 30 HA TYR 30 -31.560 6.328 6.825 269 1HB TYR 30 HB1 TYR 30 -32.110 5.557 4.499 270 2HB TYR 30 HB2 TYR 30 -30.495 4.898 4.337 271 HD1 TYR 30 HD1 TYR 30 -32.252 8.098 5.139 272 HD2 TYR 30 HD2 TYR 30 -28.782 6.284 3.472 273 HE1 TYR 30 HE1 TYR 30 -31.445 10.297 4.414 274 HE2 TYR 30 HE2 TYR 30 -27.973 8.487 2.765 275 HH TYR 30 HH TYR 30 -28.890 11.247 3.923 276 H HIS 31 HN HIS 31 -31.854 4.862 8.619 277 HA HIS 31 HA HIS 31 -32.044 1.981 7.947 278 1HB HIS 31 HB1 HIS 31 -32.289 1.644 10.346 279 2HB HIS 31 HB2 HIS 31 -32.676 3.341 10.603 280 HD1 HIS 31 HD1 HIS 31 -29.812 1.165 9.947 281 HD2 HIS 31 HD2 HIS 31 -30.486 5.101 10.657 282 HE1 HIS 31 HE1 HIS 31 -27.616 2.106 10.371 283 H CYS 32 HN CYS 32 -33.950 0.810 7.918 284 HA CYS 32 HA CYS 32 -36.350 2.254 7.290 285 1HB CYS 32 HB1 CYS 32 -35.732 -0.645 7.966 286 2HB CYS 32 HB2 CYS 32 -36.151 0.027 6.411 287 H THR 33 HN THR 33 -38.055 2.843 8.551 288 HA THR 33 HA THR 33 -37.655 3.106 11.377 289 HB THR 33 HB THR 33 -40.393 3.197 10.003 290 HG1 THR 33 HG1 THR 33 -38.562 4.219 8.853 291 1HG2 THR 33 HG21 THR 33 -39.751 3.784 12.587 292 2HG2 THR 33 HG22 THR 33 -40.885 4.794 11.695 293 3HG2 THR 33 HG23 THR 33 -39.201 5.285 11.846 294 OH TYR 34 OH TYR 34 -44.408 2.604 9.165 295 H TYR 34 HN TYR 34 -38.490 0.412 9.607 296 HA TYR 34 HA TYR 34 -39.840 -0.837 11.970 297 1HB TYR 34 HB1 TYR 34 -40.983 -2.334 10.389 298 2HB TYR 34 HB2 TYR 34 -40.043 -1.698 9.045 299 HD1 TYR 34 HD2 TYR 34 -40.270 0.867 8.588 300 HD2 TYR 34 HD1 TYR 34 -43.054 -1.342 10.924 301 HE1 TYR 34 HE2 TYR 34 -41.955 2.608 8.224 302 HE2 TYR 34 HE1 TYR 34 -44.740 0.402 10.559 303 HH TYR 34 HH TYR 34 -44.606 2.635 8.226 304 H CYS 35 HN CYS 35 -38.285 -2.146 9.061 305 HA CYS 35 HA CYS 35 -37.159 -4.392 10.392 306 1HB CYS 35 HB1 CYS 35 -35.783 -4.654 8.407 307 2HB CYS 35 HB2 CYS 35 -35.948 -2.973 7.999 308 H ASN 36 HN ASN 36 -34.578 -4.571 9.827 309 HA ASN 36 HA ASN 36 -33.308 -2.471 11.537 310 1HB ASN 36 HB1 ASN 36 -32.478 -5.395 11.163 311 2HB ASN 36 HB2 ASN 36 -33.436 -4.818 12.525 312 1HD2 ASN 36 HD21 ASN 36 -31.120 -5.914 13.328 313 2HD2 ASN 36 HD22 ASN 36 -29.951 -4.746 13.717 314 H PHE 37 HN PHE 37 -33.632 -3.462 8.472 315 HA PHE 37 HA PHE 37 -30.826 -3.405 7.645 316 1HB PHE 37 HB1 PHE 37 -33.130 -2.996 5.731 317 2HB PHE 37 HB2 PHE 37 -32.970 -4.566 6.519 318 HD1 PHE 37 HD2 PHE 37 -30.680 -5.749 6.356 319 HD2 PHE 37 HD1 PHE 37 -31.752 -2.443 3.897 320 HE1 PHE 37 HE2 PHE 37 -28.906 -6.352 4.768 321 HE2 PHE 37 HE1 PHE 37 -29.976 -3.051 2.309 322 HZ PHE 37 HZ PHE 37 -28.553 -5.004 2.746 323 H SER 38 HN SER 38 -30.030 -1.813 6.112 324 HA SER 38 HA SER 38 -31.469 0.750 6.079 325 1HB SER 38 HB1 SER 38 -28.639 0.528 7.221 326 2HB SER 38 HB2 SER 38 -30.089 0.726 8.216 327 HG SER 38 HG1 SER 38 -30.044 2.755 7.705 328 H PHE 39 HN PHE 39 -30.148 2.410 4.870 329 HA PHE 39 HA PHE 39 -28.470 1.117 2.775 330 1HB PHE 39 HB1 PHE 39 -29.791 2.158 1.056 331 2HB PHE 39 HB2 PHE 39 -30.573 3.235 2.212 332 HD1 PHE 39 HD2 PHE 39 -32.104 2.223 3.960 333 HD2 PHE 39 HD1 PHE 39 -30.699 -0.029 0.640 334 HE1 PHE 39 HE2 PHE 39 -33.862 0.563 4.351 335 HE2 PHE 39 HE1 PHE 39 -32.456 -1.701 1.039 336 HZ PHE 39 HZ PHE 39 -34.036 -1.407 2.904 337 H LYS 40 HN LYS 40 -27.055 2.571 1.690 338 HA LYS 40 HA LYS 40 -26.103 4.688 3.460 339 1HB LYS 40 HB1 LYS 40 -25.172 3.863 0.667 340 2HB LYS 40 HB2 LYS 40 -24.584 3.137 2.144 341 1HG LYS 40 HG1 LYS 40 -24.378 6.125 1.721 342 2HG LYS 40 HG2 LYS 40 -23.168 5.045 1.065 343 1HD LYS 40 HD1 LYS 40 -22.863 4.089 3.379 344 2HD LYS 40 HD2 LYS 40 -23.944 5.339 3.983 345 1HE LYS 40 HE1 LYS 40 -21.142 5.555 3.088 346 2HE LYS 40 HE2 LYS 40 -22.040 6.564 4.215 347 1HZ LYS 40 HZ1 LYS 40 -22.062 6.690 1.258 348 2HZ LYS 40 HZ2 LYS 40 -21.554 7.887 2.351 349 3HZ LYS 40 HZ3 LYS 40 -23.202 7.498 2.223 350 H THR 41 HN THR 41 -28.125 4.426 0.703 351 HA THR 41 HA THR 41 -28.077 7.403 0.385 352 HB THR 41 HB THR 41 -28.572 7.072 -1.955 353 HG1 THR 41 HG1 THR 41 -29.006 4.352 -1.668 354 1HG2 THR 41 HG21 THR 41 -27.148 4.438 -1.311 355 2HG2 THR 41 HG22 THR 41 -26.285 5.966 -1.180 356 3HG2 THR 41 HG23 THR 41 -26.928 5.450 -2.735 357 H LYS 42 HN LYS 42 -30.060 8.447 -0.060 358 HA LYS 42 HA LYS 42 -32.240 7.381 1.517 359 1HB LYS 42 HB1 LYS 42 -32.192 9.862 -0.263 360 2HB LYS 42 HB2 LYS 42 -31.591 9.847 1.391 361 1HG LYS 42 HG1 LYS 42 -33.839 9.093 2.172 362 2HG LYS 42 HG2 LYS 42 -34.428 9.206 0.518 363 1HD LYS 42 HD1 LYS 42 -33.080 11.658 1.182 364 2HD LYS 42 HD2 LYS 42 -34.248 11.296 2.448 365 1HE LYS 42 HE1 LYS 42 -34.821 11.404 -0.535 366 2HE LYS 42 HE2 LYS 42 -35.331 12.590 0.660 367 1HZ LYS 42 HZ1 LYS 42 -36.839 11.135 1.592 368 2HZ LYS 42 HZ2 LYS 42 -36.088 9.757 0.945 369 3HZ LYS 42 HZ3 LYS 42 -36.976 10.793 -0.066 370 H GLY 43 HN GLY 43 -31.326 7.364 -1.781 371 1HA GLY 43 HA1 GLY 43 -32.413 6.531 -3.690 372 2HA GLY 43 HA2 GLY 43 -33.896 7.213 -3.027 373 H ASN 44 HN ASN 44 -31.681 4.550 -2.200 374 HA ASN 44 HA ASN 44 -33.379 2.420 -2.750 375 1HB ASN 44 HB1 ASN 44 -32.095 1.317 -0.733 376 2HB ASN 44 HB2 ASN 44 -31.236 2.850 -0.645 377 1HD2 ASN 44 HD21 ASN 44 -29.536 0.913 -1.261 378 2HD2 ASN 44 HD22 ASN 44 -29.195 0.823 -2.921 379 H LEU 45 HN LEU 45 -33.262 4.421 0.158 380 HA LEU 45 HA LEU 45 -35.004 2.953 1.803 381 1HB LEU 45 HB1 LEU 45 -35.132 5.980 1.538 382 2HB LEU 45 HB2 LEU 45 -33.689 5.218 2.178 383 HG LEU 45 HG LEU 45 -35.320 5.969 3.956 384 1HD1 LEU 45 HD11 LEU 45 -37.081 3.681 3.037 385 2HD1 LEU 45 HD12 LEU 45 -37.367 5.349 2.557 386 3HD1 LEU 45 HD13 LEU 45 -37.429 4.897 4.255 387 1HD2 LEU 45 HD21 LEU 45 -35.190 2.964 4.101 388 2HD2 LEU 45 HD22 LEU 45 -34.877 4.156 5.351 389 3HD2 LEU 45 HD23 LEU 45 -33.702 3.893 4.077 390 H THR 46 HN THR 46 -35.881 5.659 -0.343 391 HA THR 46 HA THR 46 -38.659 5.487 -0.107 392 HB THR 46 HB THR 46 -37.116 6.017 -2.719 393 HG1 THR 46 HG1 THR 46 -36.844 7.100 -0.389 394 1HG2 THR 46 HG21 THR 46 -39.794 6.963 -1.543 395 2HG2 THR 46 HG22 THR 46 -39.580 6.069 -3.044 396 3HG2 THR 46 HG23 THR 46 -39.029 7.738 -2.928 397 H LYS 47 HN LYS 47 -36.462 3.468 -1.937 398 HA LYS 47 HA LYS 47 -38.555 2.124 -3.432 399 1HB LYS 47 HB1 LYS 47 -36.342 0.381 -3.248 400 2HB LYS 47 HB2 LYS 47 -35.638 1.990 -3.147 401 1HG LYS 47 HG1 LYS 47 -37.060 2.609 -5.174 402 2HG LYS 47 HG2 LYS 47 -37.422 0.895 -5.336 403 1HD LYS 47 HD1 LYS 47 -34.980 0.414 -5.451 404 2HD LYS 47 HD2 LYS 47 -34.655 2.142 -5.363 405 1HE LYS 47 HE1 LYS 47 -36.438 2.138 -7.393 406 2HE LYS 47 HE2 LYS 47 -35.753 0.533 -7.616 407 1HZ LYS 47 HZ1 LYS 47 -34.674 2.927 -8.429 408 2HZ LYS 47 HZ2 LYS 47 -33.923 1.404 -8.454 409 3HZ LYS 47 HZ3 LYS 47 -33.712 2.432 -7.120 410 H HIS 48 HN HIS 48 -36.617 1.187 -0.574 411 HA HIS 48 HA HIS 48 -37.915 -1.332 -0.203 412 1HB HIS 48 HB1 HIS 48 -36.549 0.560 1.776 413 2HB HIS 48 HB2 HIS 48 -35.850 -0.866 1.016 414 HD1 HIS 48 HD1 HIS 48 -37.450 -3.076 1.647 415 HD2 HIS 48 HD2 HIS 48 -37.461 0.017 4.323 416 HE1 HIS 48 HE1 HIS 48 -38.274 -4.033 3.742 417 H MET 49 HN MET 49 -39.048 1.834 0.249 418 HA MET 49 HA MET 49 -41.089 0.994 2.224 419 1HB MET 49 HB1 MET 49 -41.780 3.506 1.838 420 2HB MET 49 HB2 MET 49 -40.252 3.635 0.974 421 1HG MET 49 HG1 MET 49 -39.471 4.133 3.053 422 2HG MET 49 HG2 MET 49 -39.347 2.397 3.147 423 1HE MET 49 HE1 MET 49 -40.825 1.547 6.277 424 2HE MET 49 HE2 MET 49 -39.271 1.923 5.533 425 3HE MET 49 HE3 MET 49 -40.436 0.912 4.677 426 H LYS 50 HN LYS 50 -40.846 2.116 -1.120 427 HA LYS 50 HA LYS 50 -43.543 2.396 -1.773 428 1HB LYS 50 HB1 LYS 50 -41.451 0.984 -3.498 429 2HB LYS 50 HB2 LYS 50 -41.543 2.732 -3.318 430 1HG LYS 50 HG1 LYS 50 -43.907 2.644 -4.149 431 2HG LYS 50 HG2 LYS 50 -43.708 0.919 -4.435 432 1HD LYS 50 HD1 LYS 50 -41.915 1.337 -6.030 433 2HD LYS 50 HD2 LYS 50 -41.933 3.057 -5.657 434 1HE LYS 50 HE1 LYS 50 -44.366 3.080 -6.408 435 2HE LYS 50 HE2 LYS 50 -44.118 1.443 -7.003 436 1HZ LYS 50 HZ1 LYS 50 -42.507 2.184 -8.527 437 2HZ LYS 50 HZ2 LYS 50 -42.416 3.723 -7.815 438 3HZ LYS 50 HZ3 LYS 50 -43.812 3.262 -8.665 439 H SER 51 HN SER 51 -41.651 -0.599 -1.627 440 HA SER 51 HA SER 51 -43.562 -2.398 -2.616 441 1HB SER 51 HB1 SER 51 -41.760 -2.903 -0.188 442 2HB SER 51 HB2 SER 51 -41.185 -2.967 -1.865 443 HG SER 51 HG1 SER 51 -41.890 -5.009 -1.349 444 H LYS 52 HN LYS 52 -45.098 -3.753 -1.565 445 HA LYS 52 HA LYS 52 -46.789 -2.330 0.286 446 1HB LYS 52 HB1 LYS 52 -48.055 -4.531 0.326 447 2HB LYS 52 HB2 LYS 52 -46.751 -5.256 -0.605 448 1HG LYS 52 HG1 LYS 52 -47.178 -3.856 -2.491 449 2HG LYS 52 HG2 LYS 52 -48.194 -2.770 -1.549 450 1HD LYS 52 HD1 LYS 52 -49.562 -4.279 -2.966 451 2HD LYS 52 HD2 LYS 52 -49.862 -4.563 -1.255 452 1HE LYS 52 HE1 LYS 52 -47.707 -6.147 -2.616 453 2HE LYS 52 HE2 LYS 52 -49.386 -6.596 -2.896 454 1HZ LYS 52 HZ1 LYS 52 -49.723 -6.899 -0.579 455 2HZ LYS 52 HZ2 LYS 52 -48.193 -6.268 -0.204 456 3HZ LYS 52 HZ3 LYS 52 -48.322 -7.757 -1.010 457 H ALA 53 HN ALA 53 -43.909 -3.537 0.934 458 HA ALA 53 HA ALA 53 -44.011 -5.350 3.022 459 1HB ALA 53 HB1 ALA 53 -42.048 -4.032 3.993 460 2HB ALA 53 HB2 ALA 53 -42.375 -2.778 2.801 461 3HB ALA 53 HB3 ALA 53 -41.883 -4.385 2.275 462 H HIS 54 HN HIS 54 -43.310 -2.185 4.247 463 HA HIS 54 HA HIS 54 -45.854 -2.082 5.738 464 1HB HIS 54 HB1 HIS 54 -44.704 -3.290 7.379 465 2HB HIS 54 HB2 HIS 54 -44.221 -1.660 7.834 466 HD1 HIS 54 HD1 HIS 54 -42.838 -4.772 6.628 467 HD2 HIS 54 HD2 HIS 54 -41.549 -0.899 6.865 468 HE1 HIS 54 HE1 HIS 54 -40.404 -4.873 6.362 469 H SER 55 HN SER 55 -46.177 -0.155 4.569 470 HA SER 55 HA SER 55 -44.923 2.168 5.857 471 1HB SER 55 HB1 SER 55 -43.324 1.902 4.047 472 2HB SER 55 HB2 SER 55 -44.458 3.125 3.442 473 HG SER 55 HG1 SER 55 -44.316 0.370 2.873 474 H LYS 56 HN LYS 56 -47.083 0.980 3.329 475 HA LYS 56 HA LYS 56 -48.823 3.371 3.764 476 1HB LYS 56 HB1 LYS 56 -49.861 2.681 1.584 477 2HB LYS 56 HB2 LYS 56 -48.777 1.295 1.518 478 1HG LYS 56 HG1 LYS 56 -46.857 3.007 1.729 479 2HG LYS 56 HG2 LYS 56 -48.065 4.231 1.354 480 1HD LYS 56 HD1 LYS 56 -48.622 3.048 -0.743 481 2HD LYS 56 HD2 LYS 56 -47.432 1.808 -0.365 482 1HE LYS 56 HE1 LYS 56 -45.661 3.577 -0.327 483 2HE LYS 56 HE2 LYS 56 -46.869 4.756 -0.822 484 1HZ LYS 56 HZ1 LYS 56 -47.289 3.267 -2.778 485 2HZ LYS 56 HZ2 LYS 56 -45.884 2.419 -2.341 486 3HZ LYS 56 HZ3 LYS 56 -45.787 4.061 -2.764 487 H LYS 57 HN LYS 57 -48.742 1.154 5.619 488 HA LYS 57 HA LYS 57 -51.557 0.704 5.866 489 1HB LYS 57 HB1 LYS 57 -50.051 -1.880 5.447 490 2HB LYS 57 HB2 LYS 57 -50.584 -0.988 4.027 491 1HG LYS 57 HG1 LYS 57 -52.306 -2.613 4.697 492 2HG LYS 57 HG2 LYS 57 -52.903 -0.973 4.921 493 1HD LYS 57 HD1 LYS 57 -52.664 -1.075 7.266 494 2HD LYS 57 HD2 LYS 57 -51.528 -2.417 7.186 495 1HE LYS 57 HE1 LYS 57 -53.313 -3.922 6.431 496 2HE LYS 57 HE2 LYS 57 -54.457 -2.585 6.400 497 1HZ LYS 57 HZ1 LYS 57 -53.332 -2.571 8.918 498 2HZ LYS 57 HZ2 LYS 57 -53.664 -4.201 8.578 499 3HZ LYS 57 LYS 57 -54.907 -3.046 8.496 Start of MODEL 33 Raw file had 499 H/Q atoms Start of MODEL 33 1 1H LYS 1 HT1 LYS 1 -8.857 -6.491 -9.950 2 2H LYS 1 HT2 LYS 1 -9.205 -5.071 -10.813 3 3H LYS 1 HT3 LYS 1 -10.321 -5.674 -9.685 4 HA LYS 1 HA LYS 1 -8.121 -5.421 -8.170 5 1HB LYS 1 HB1 LYS 1 -7.226 -3.159 -8.678 6 2HB LYS 1 HB2 LYS 1 -8.294 -3.025 -10.069 7 1HG LYS 1 HG1 LYS 1 -7.155 -4.792 -11.228 8 2HG LYS 1 HG2 LYS 1 -6.272 -5.262 -9.780 9 1HD LYS 1 HD1 LYS 1 -5.921 -2.432 -10.552 10 2HD LYS 1 HD2 LYS 1 -5.282 -3.586 -11.718 11 1HE LYS 1 HE1 LYS 1 -3.846 -4.587 -10.103 12 2HE LYS 1 HE2 LYS 1 -4.703 -3.841 -8.761 13 1HZ LYS 1 HZ1 LYS 1 -3.900 -1.692 -9.456 14 2HZ LYS 1 HZ2 LYS 1 -3.119 -2.378 -10.800 15 3HZ LYS 1 HZ3 LYS 1 -2.593 -2.750 -9.230 16 OH TYR 2 OH TYR 2 -7.932 1.069 -8.320 17 H TYR 2 HN TYR 2 -11.171 -5.082 -8.876 18 HA TYR 2 HA TYR 2 -11.706 -3.486 -6.469 19 1HB TYR 2 HB1 TYR 2 -13.247 -1.933 -7.699 20 2HB TYR 2 HB2 TYR 2 -12.729 -2.648 -9.225 21 HD1 TYR 2 HD2 TYR 2 -11.492 -0.800 -6.238 22 HD2 TYR 2 HD1 TYR 2 -10.691 -1.957 -10.252 23 HE1 TYR 2 HE2 TYR 2 -9.555 0.701 -6.284 24 HE2 TYR 2 HE1 TYR 2 -8.752 -0.457 -10.298 25 HH TYR 2 HH TYR 2 -8.251 1.967 -8.211 26 H ILE 3 HN ILE 3 -12.141 -6.157 -6.925 27 HA ILE 3 HA ILE 3 -15.081 -6.361 -7.390 28 HB ILE 3 HB ILE 3 -12.864 -8.470 -7.338 29 1HG1 ILE 3 HG11 ILE 3 -14.616 -7.345 -9.562 30 2HG1 ILE 3 HG12 ILE 3 -13.597 -8.765 -9.747 31 1HG2 ILE 3 HG21 ILE 3 -15.900 -8.660 -7.617 32 2HG2 ILE 3 HG22 ILE 3 -14.873 -9.518 -6.472 33 3HG2 ILE 3 HG23 ILE 3 -14.838 -9.946 -8.178 34 1HD1 ILE 3 HD1 ILE 3 -12.827 -5.900 -9.594 35 2HD1 ILE 3 HD2 ILE 3 -12.055 -7.222 -10.455 36 3HD1 ILE 3 HD3 ILE 3 -11.771 -7.012 -8.734 37 H CYS 4 HN CYS 4 -16.131 -6.072 -5.466 38 HA CYS 4 HA CYS 4 -15.023 -6.482 -2.922 39 1HB CYS 4 HB1 CYS 4 -17.884 -6.750 -3.875 40 2HB CYS 4 HB2 CYS 4 -17.159 -5.368 -3.103 41 H GLU 5 HN GLU 5 -14.162 -8.233 -2.128 42 HA GLU 5 HA GLU 5 -14.462 -10.840 -3.147 43 1HB GLU 5 HB1 GLU 5 -13.547 -11.486 -0.794 44 2HB GLU 5 HB2 GLU 5 -13.559 -9.759 -0.453 45 1HG GLU 5 HG1 GLU 5 -12.100 -9.347 -2.398 46 2HG GLU 5 HG2 GLU 5 -12.115 -11.066 -2.787 47 H GLU 6 HN GLU 6 -16.527 -9.074 -1.022 48 HA GLU 6 HA GLU 6 -17.796 -11.489 0.011 49 1HB GLU 6 HB1 GLU 6 -18.896 -8.680 0.282 50 2HB GLU 6 HB2 GLU 6 -17.495 -9.176 1.222 51 1HG GLU 6 HG1 GLU 6 -18.799 -11.106 2.107 52 2HG GLU 6 HG2 GLU 6 -20.207 -10.546 1.209 53 H CYS 7 HN CYS 7 -19.173 -8.624 -1.597 54 HA CYS 7 HA CYS 7 -21.406 -10.225 -2.579 55 1HB CYS 7 HB1 CYS 7 -22.253 -8.179 -3.451 56 2HB CYS 7 HB2 CYS 7 -20.671 -7.470 -3.572 57 H GLY 8 HN GLY 8 -18.748 -8.424 -4.102 58 1HA GLY 8 HA1 GLY 8 -18.990 -10.246 -6.465 59 2HA GLY 8 HA2 GLY 8 -17.477 -9.524 -5.931 60 H ILE 9 HN ILE 9 -19.369 -7.059 -5.384 61 HA ILE 9 HA ILE 9 -20.341 -6.067 -7.808 62 HB ILE 9 HB ILE 9 -20.465 -5.030 -5.430 63 1HG1 ILE 9 HG11 ILE 9 -20.117 -3.581 -8.024 64 2HG1 ILE 9 HG12 ILE 9 -20.215 -2.618 -6.553 65 1HG2 ILE 9 HG21 ILE 9 -17.837 -4.978 -5.359 66 2HG2 ILE 9 HG22 ILE 9 -18.684 -3.566 -4.760 67 3HG2 ILE 9 HG23 ILE 9 -17.973 -3.543 -6.364 68 1HD1 ILE 9 HD1 ILE 9 -22.211 -4.820 -7.086 69 2HD1 ILE 9 HD2 ILE 9 -22.439 -3.215 -7.774 70 3HD1 ILE 9 HD3 ILE 9 -22.376 -3.423 -6.027 71 NH1 ARG 10 NH2 ARG 10 -15.868 -7.416 -15.491 72 NH2 ARG 10 NH1 ARG 10 -14.250 -5.817 -15.695 73 H ARG 10 HN ARG 10 -19.417 -5.475 -9.659 74 HA ARG 10 HA ARG 10 -16.447 -5.313 -9.742 75 1HB ARG 10 HB1 ARG 10 -18.467 -5.444 -12.030 76 2HB ARG 10 HB2 ARG 10 -17.716 -6.860 -11.303 77 1HG ARG 10 HG1 ARG 10 -15.633 -4.998 -11.914 78 2HG ARG 10 HG2 ARG 10 -16.656 -5.136 -13.340 79 1HD ARG 10 HD1 ARG 10 -16.494 -7.637 -13.152 80 2HD ARG 10 HD2 ARG 10 -15.351 -7.423 -11.825 81 HE ARG 10 HE ARG 10 -13.706 -6.776 -13.409 82 1HH1 ARG 10 HH21 ARG 10 -16.363 -8.065 -14.913 83 2HH1 ARG 10 HH22 ARG 10 -16.099 -7.334 -16.460 84 1HH2 ARG 10 HH11 ARG 10 -13.531 -5.267 -15.269 85 2HH2 ARG 10 HH12 ARG 10 -14.452 -5.709 -16.667 86 H ABA 11 HN ABU 11 -15.834 -3.268 -9.270 87 HA ABA 11 HA ABU 11 -16.990 -1.094 -10.988 88 1HB ABA 11 HB1 ABU 11 -16.780 0.437 -9.103 89 2HB ABA 11 HB2 ABU 11 -15.959 -0.768 -8.141 90 1HG ABA 11 HG1 ABU 11 -18.050 -2.186 -8.265 91 2HG ABA 11 HG2 ABU 11 -18.853 -0.828 -9.046 92 3HG ABA 11 HG3 ABU 11 -18.266 -0.673 -7.393 93 H LYS 12 HN LYS 12 -15.339 -1.149 -12.459 94 HA LYS 12 HA LYS 12 -12.605 -1.430 -12.024 95 1HB LYS 12 HB1 LYS 12 -12.351 -0.110 -14.153 96 2HB LYS 12 HB2 LYS 12 -14.040 0.367 -14.029 97 1HG LYS 12 HG1 LYS 12 -14.746 -1.977 -14.149 98 2HG LYS 12 HG2 LYS 12 -13.068 -2.506 -14.165 99 1HD LYS 12 HD1 LYS 12 -12.717 -1.228 -16.281 100 2HD LYS 12 HD2 LYS 12 -14.424 -0.796 -16.276 101 1HE LYS 12 HE1 LYS 12 -14.251 -2.718 -17.692 102 2HE LYS 12 HE2 LYS 12 -14.920 -3.304 -16.174 103 1HZ LYS 12 HZ1 LYS 12 -13.109 -4.689 -17.069 104 2HZ LYS 12 HZ2 LYS 12 -12.789 -4.093 -15.511 105 3HZ LYS 12 HZ3 LYS 12 -12.038 -3.388 -16.861 106 H LYS 13 HN LYS 13 -14.579 1.263 -11.123 107 HA LYS 13 HA LYS 13 -12.177 2.976 -10.840 108 1HB LYS 13 HB1 LYS 13 -13.933 4.754 -10.271 109 2HB LYS 13 HB2 LYS 13 -15.156 3.540 -10.631 110 1HG LYS 13 HG1 LYS 13 -14.987 4.328 -12.766 111 2HG LYS 13 HG2 LYS 13 -13.539 3.330 -12.833 112 1HD LYS 13 HD1 LYS 13 -12.278 5.357 -11.888 113 2HD LYS 13 HD2 LYS 13 -13.725 6.294 -12.245 114 1HE LYS 13 HE1 LYS 13 -12.123 4.667 -14.247 115 2HE LYS 13 HE2 LYS 13 -12.139 6.421 -14.127 116 1HZ LYS 13 HZ1 LYS 13 -13.992 6.520 -15.301 117 2HZ LYS 13 HZ2 LYS 13 -14.774 5.378 -14.317 118 3HZ LYS 13 HZ3 LYS 13 -13.821 4.861 -15.624 119 HA PRO 14 HA PRO 14 -11.966 2.197 -6.444 120 1HB PRO 14 HB1 PRO 14 -10.025 3.378 -6.031 121 2HB PRO 14 HB2 PRO 14 -11.013 4.806 -5.727 122 1HG PRO 14 HG1 PRO 14 -9.215 4.450 -7.894 123 2HG PRO 14 HG2 PRO 14 -10.406 5.743 -7.733 124 1HD PRO 14 HD1 PRO 14 -11.509 4.839 -9.526 125 2HD PRO 14 HD2 PRO 14 -10.447 3.419 -9.500 126 H SER 15 HN SER 15 -12.720 5.656 -6.903 127 HA SER 15 HA SER 15 -14.238 6.284 -4.755 128 1HB SER 15 HB1 SER 15 -13.932 7.693 -6.889 129 2HB SER 15 HB2 SER 15 -15.568 7.786 -6.207 130 HG SER 15 HG1 SER 15 -15.690 7.253 -8.401 131 H MET 16 HN MET 16 -15.459 4.355 -7.466 132 HA MET 16 HA MET 16 -18.093 4.050 -6.315 133 1HB MET 16 HB1 MET 16 -18.077 2.025 -8.004 134 2HB MET 16 HB2 MET 16 -16.513 2.659 -8.503 135 1HG MET 16 HG1 MET 16 -17.781 3.896 -9.918 136 2HG MET 16 HG2 MET 16 -17.892 4.944 -8.529 137 1HE MET 16 HE1 MET 16 -19.297 2.199 -10.551 138 2HE MET 16 HE2 MET 16 -19.961 3.604 -11.383 139 3HE MET 16 HE3 MET 16 -21.040 2.458 -10.590 140 H LEU 17 HN LEU 17 -15.301 1.805 -6.563 141 HA LEU 17 HA LEU 17 -16.530 -0.215 -4.946 142 1HB LEU 17 HB1 LEU 17 -13.532 0.276 -5.084 143 2HB LEU 17 HB2 LEU 17 -14.389 -0.314 -6.489 144 HG LEU 17 HG LEU 17 -13.356 -2.152 -5.104 145 1HD1 LEU 17 HD11 LEU 17 -15.494 -1.557 -3.051 146 2HD1 LEU 17 HD12 LEU 17 -13.849 -0.952 -2.904 147 3HD1 LEU 17 HD13 LEU 17 -14.152 -2.683 -2.932 148 1HD2 LEU 17 HD21 LEU 17 -15.116 -3.659 -5.420 149 2HD2 LEU 17 HD22 LEU 17 -15.569 -2.353 -6.499 150 3HD2 LEU 17 HD23 LEU 17 -16.347 -2.505 -4.935 151 H LYS 18 HN LYS 18 -13.929 2.075 -4.185 152 HA LYS 18 HA LYS 18 -13.522 1.752 -1.530 153 1HB LYS 18 HB1 LYS 18 -13.350 4.295 -1.363 154 2HB LYS 18 HB2 LYS 18 -14.052 4.391 -2.974 155 1HG LYS 18 HG1 LYS 18 -11.833 4.344 -3.586 156 2HG LYS 18 HG2 LYS 18 -12.096 2.609 -3.480 157 1HD LYS 18 HD1 LYS 18 -11.315 2.660 -1.114 158 2HD LYS 18 HD2 LYS 18 -11.002 4.384 -1.271 159 1HE LYS 18 HE1 LYS 18 -9.265 4.041 -2.852 160 2HE LYS 18 HE2 LYS 18 -9.778 2.391 -3.184 161 1HZ LYS 18 HZ1 LYS 18 -8.219 3.441 -0.954 162 2HZ LYS 18 HZ2 LYS 18 -8.059 1.978 -1.802 163 3HZ LYS 18 HZ3 LYS 18 -9.274 2.151 -0.627 164 H LYS 19 HN LYS 19 -16.283 3.562 -2.852 165 HA LYS 19 HA LYS 19 -17.449 4.063 -0.294 166 1HB LYS 19 HB1 LYS 19 -19.526 4.533 -1.688 167 2HB LYS 19 HB2 LYS 19 -18.654 3.940 -3.097 168 1HG LYS 19 HG1 LYS 19 -18.076 6.151 -3.312 169 2HG LYS 19 HG2 LYS 19 -16.834 5.713 -2.146 170 1HD LYS 19 HD1 LYS 19 -18.380 6.372 -0.302 171 2HD LYS 19 HD2 LYS 19 -19.560 6.882 -1.504 172 1HE LYS 19 HE1 LYS 19 -18.516 8.870 -1.716 173 2HE LYS 19 HE2 LYS 19 -17.023 8.055 -2.163 174 1HZ LYS 19 HZ1 LYS 19 -16.914 9.504 -0.146 175 2HZ LYS 19 HZ2 LYS 19 -16.365 7.913 0.072 176 3HZ LYS 19 HZ3 LYS 19 -17.897 8.369 0.646 177 H HIS 20 HN HIS 20 -17.942 1.566 -2.739 178 HA HIS 20 HA HIS 20 -20.137 0.251 -1.514 179 1HB HIS 20 HB1 HIS 20 -17.861 -0.872 -3.197 180 2HB HIS 20 HB2 HIS 20 -19.405 -0.294 -3.815 181 HD1 HIS 20 HD1 HIS 20 -21.115 -2.121 -3.920 182 HD2 HIS 20 HD2 HIS 20 -18.097 -3.133 -1.386 183 HE1 HIS 20 HE1 HIS 20 -21.619 -4.404 -3.182 184 H ILE 21 HN ILE 21 -16.639 -0.401 -1.217 185 HA ILE 21 HA ILE 21 -16.911 -2.590 0.548 186 HB ILE 21 HB ILE 21 -14.761 -1.440 -0.635 187 1HG1 ILE 21 HG11 ILE 21 -14.719 -2.977 1.992 188 2HG1 ILE 21 HG12 ILE 21 -13.316 -2.750 0.958 189 1HG2 ILE 21 HG21 ILE 21 -14.993 0.510 1.091 190 2HG2 ILE 21 HG22 ILE 21 -13.401 -0.182 0.907 191 3HG2 ILE 21 HG23 ILE 21 -14.401 -0.623 2.285 192 1HD1 ILE 21 HD1 ILE 21 -15.613 -4.572 0.628 193 2HD1 ILE 21 HD2 ILE 21 -13.988 -4.691 -0.036 194 3HD1 ILE 21 HD3 ILE 21 -15.195 -3.695 -0.837 195 NH1 ARG 22 NH2 ARG 22 -17.679 6.080 5.235 196 NH2 ARG 22 NH1 ARG 22 -15.540 6.856 5.447 197 H ARG 22 HN ARG 22 -17.072 0.859 1.156 198 HA ARG 22 HA ARG 22 -16.910 0.570 4.063 199 1HB ARG 22 HB1 ARG 22 -17.961 2.967 3.905 200 2HB ARG 22 HB2 ARG 22 -17.786 2.788 2.164 201 1HG ARG 22 HG1 ARG 22 -15.397 2.549 2.343 202 2HG ARG 22 HG2 ARG 22 -15.478 2.380 4.092 203 1HD ARG 22 HD1 ARG 22 -16.612 4.861 2.841 204 2HD ARG 22 HD2 ARG 22 -14.863 4.721 3.010 205 HE ARG 22 HE ARG 22 -15.658 4.083 5.520 206 1HH1 ARG 22 HH21 ARG 22 -18.298 5.324 5.021 207 2HH1 ARG 22 HH22 ARG 22 -18.048 6.972 5.496 208 1HH2 ARG 22 HH11 ARG 22 -14.556 6.683 5.392 209 2HH2 ARG 22 HH12 ARG 22 -15.874 7.761 5.712 210 H THR 23 HN THR 23 -19.516 0.427 1.724 211 HA THR 23 HA THR 23 -21.603 0.911 3.626 212 HB THR 23 HB THR 23 -21.884 -0.949 1.190 213 HG1 THR 23 HG1 THR 23 -20.626 1.075 0.916 214 1HG2 THR 23 HG21 THR 23 -23.915 0.942 1.112 215 2HG2 THR 23 HG22 THR 23 -23.697 0.827 2.852 216 3HG2 THR 23 HG23 THR 23 -24.114 -0.604 1.924 217 H HIS 24 HN HIS 24 -19.368 -1.516 3.632 218 HA HIS 24 HA HIS 24 -21.246 -3.613 4.599 219 1HB HIS 24 HB1 HIS 24 -18.884 -4.789 4.972 220 2HB HIS 24 HB2 HIS 24 -18.288 -3.492 3.944 221 HD1 HIS 24 HD1 HIS 24 -20.932 -6.161 3.751 222 HD2 HIS 24 HD2 HIS 24 -18.556 -3.964 1.277 223 HE1 HIS 24 HE1 HIS 24 -21.275 -7.098 1.487 224 H THR 25 HN THR 25 -19.789 -0.964 5.897 225 HA THR 25 HA THR 25 -19.072 -2.242 8.464 226 HB THR 25 HB THR 25 -18.582 0.314 8.988 227 HG1 THR 25 HG1 THR 25 -18.312 0.871 6.428 228 1HG2 THR 25 HG21 THR 25 -16.613 0.324 7.283 229 2HG2 THR 25 HG22 THR 25 -17.221 -1.235 6.735 230 3HG2 THR 25 HG23 THR 25 -16.636 -1.048 8.385 231 H ASP 26 HN ASP 26 -20.364 0.902 8.520 232 HA ASP 26 HA ASP 26 -23.078 0.116 9.207 233 1HB ASP 26 HB1 ASP 26 -22.764 1.236 11.563 234 2HB ASP 26 HB2 ASP 26 -21.042 0.956 11.312 235 H VAL 27 HN VAL 27 -21.577 1.838 7.438 236 HA VAL 27 HA VAL 27 -22.269 4.552 8.370 237 HB VAL 27 HB VAL 27 -20.115 4.235 7.259 238 1HG1 VAL 27 HG11 VAL 27 -20.520 2.219 6.030 239 2HG1 VAL 27 HG12 VAL 27 -20.093 3.450 4.850 240 3HG1 VAL 27 HG13 VAL 27 -21.774 2.983 5.065 241 1HG2 VAL 27 HG21 VAL 27 -21.446 5.460 4.941 242 2HG2 VAL 27 HG22 VAL 27 -20.254 6.147 6.039 243 3HG2 VAL 27 HG23 VAL 27 -21.957 6.140 6.483 244 NH1 ARG 28 NH2 ARG 28 -25.407 -2.635 6.128 245 NH2 ARG 28 NH1 ARG 28 -23.201 -2.243 6.579 246 H ARG 28 HN ARG 28 -24.502 3.023 8.081 247 HA ARG 28 HA ARG 28 -25.788 4.084 5.601 248 1HB ARG 28 HB1 ARG 28 -27.429 2.140 6.056 249 2HB ARG 28 HB2 ARG 28 -26.250 1.556 7.223 250 1HG ARG 28 HG1 ARG 28 -24.550 1.781 5.253 251 2HG ARG 28 HG2 ARG 28 -25.981 1.802 4.232 252 1HD ARG 28 HD1 ARG 28 -25.576 -0.489 4.320 253 2HD ARG 28 HD2 ARG 28 -26.650 -0.312 5.707 254 HE ARG 28 HE ARG 28 -24.059 0.099 6.702 255 1HH1 ARG 28 HH21 ARG 28 -26.314 -2.273 5.917 256 2HH1 ARG 28 HH22 ARG 28 -25.267 -3.622 6.206 257 1HH2 ARG 28 HH11 ARG 28 -22.456 -1.588 6.705 258 2HH2 ARG 28 HH12 ARG 28 -23.024 -3.224 6.664 259 HA PRO 29 HA PRO 29 -27.721 6.132 9.302 260 1HB PRO 29 HB1 PRO 29 -27.156 8.330 8.970 261 2HB PRO 29 HB2 PRO 29 -28.268 8.424 7.605 262 1HG PRO 29 HG1 PRO 29 -25.362 8.291 7.543 263 2HG PRO 29 HG2 PRO 29 -26.469 8.485 6.184 264 1HD PRO 29 HD1 PRO 29 -26.181 6.310 5.577 265 2HD PRO 29 HD2 PRO 29 -24.957 6.155 6.847 266 OH TYR 30 OH TYR 30 -28.969 10.426 2.851 267 H TYR 30 HN TYR 30 -28.772 5.340 6.142 268 HA TYR 30 HA TYR 30 -31.546 6.212 6.668 269 1HB TYR 30 HB1 TYR 30 -31.972 5.306 4.377 270 2HB TYR 30 HB2 TYR 30 -30.349 4.633 4.334 271 HD1 TYR 30 HD1 TYR 30 -31.994 7.914 5.092 272 HD2 TYR 30 HD2 TYR 30 -28.728 5.923 3.233 273 HE1 TYR 30 HE1 TYR 30 -31.141 10.066 4.284 274 HE2 TYR 30 HE2 TYR 30 -27.874 8.075 2.430 275 HH TYR 30 HH TYR 30 -28.151 10.613 3.317 276 H HIS 31 HN HIS 31 -32.165 4.933 8.409 277 HA HIS 31 HA HIS 31 -32.204 1.978 7.956 278 1HB HIS 31 HB1 HIS 31 -32.498 1.798 10.388 279 2HB HIS 31 HB2 HIS 31 -32.749 3.536 10.526 280 HD1 HIS 31 HD1 HIS 31 -30.077 1.102 9.996 281 HD2 HIS 31 HD2 HIS 31 -30.425 5.123 10.397 282 HE1 HIS 31 HE1 HIS 31 -27.803 1.898 10.284 283 H CYS 32 HN CYS 32 -34.105 0.856 7.878 284 HA CYS 32 HA CYS 32 -36.502 2.312 7.261 285 1HB CYS 32 HB1 CYS 32 -35.903 -0.589 7.941 286 2HB CYS 32 HB2 CYS 32 -36.295 0.088 6.380 287 H THR 33 HN THR 33 -38.503 2.309 8.455 288 HA THR 33 HA THR 33 -37.996 2.633 11.355 289 HB THR 33 HB THR 33 -40.404 3.336 9.571 290 HG1 THR 33 HG1 THR 33 -39.090 5.261 10.951 291 1HG2 THR 33 HG21 THR 33 -39.909 3.453 12.559 292 2HG2 THR 33 HG22 THR 33 -41.441 3.268 11.713 293 3HG2 THR 33 HG23 THR 33 -40.679 4.852 11.818 294 OH TYR 34 OH TYR 34 -44.622 2.587 9.255 295 H TYR 34 HN TYR 34 -38.379 0.021 9.789 296 HA TYR 34 HA TYR 34 -40.244 -1.170 11.781 297 1HB TYR 34 HB1 TYR 34 -41.305 -2.519 9.967 298 2HB TYR 34 HB2 TYR 34 -40.292 -1.722 8.771 299 HD1 TYR 34 HD2 TYR 34 -40.536 0.806 8.472 300 HD2 TYR 34 HD1 TYR 34 -43.324 -1.497 10.711 301 HE1 TYR 34 HE2 TYR 34 -42.192 2.602 8.258 302 HE2 TYR 34 HE1 TYR 34 -44.977 0.302 10.496 303 HH TYR 34 HH TYR 34 -45.054 2.689 10.106 304 H CYS 35 HN CYS 35 -37.937 -1.759 9.185 305 HA CYS 35 HA CYS 35 -37.228 -4.379 10.342 306 1HB CYS 35 HB1 CYS 35 -35.883 -4.630 8.317 307 2HB CYS 35 HB2 CYS 35 -36.050 -2.940 7.940 308 H ASN 36 HN ASN 36 -34.674 -4.691 9.853 309 HA ASN 36 HA ASN 36 -33.319 -2.611 11.526 310 1HB ASN 36 HB1 ASN 36 -32.721 -5.598 11.201 311 2HB ASN 36 HB2 ASN 36 -33.485 -4.863 12.607 312 1HD2 ASN 36 HD21 ASN 36 -31.597 -2.437 12.175 313 2HD2 ASN 36 HD22 ASN 36 -30.130 -2.948 12.859 314 H PHE 37 HN PHE 37 -33.697 -3.320 8.479 315 HA PHE 37 HA PHE 37 -30.885 -3.531 7.644 316 1HB PHE 37 HB1 PHE 37 -33.147 -2.867 5.758 317 2HB PHE 37 HB2 PHE 37 -33.120 -4.468 6.492 318 HD1 PHE 37 HD2 PHE 37 -30.978 -5.861 6.253 319 HD2 PHE 37 HD1 PHE 37 -31.697 -2.349 3.954 320 HE1 PHE 37 HE2 PHE 37 -29.273 -6.569 4.635 321 HE2 PHE 37 HE1 PHE 37 -29.990 -3.062 2.337 322 HZ PHE 37 HZ PHE 37 -28.777 -5.170 2.677 323 H SER 38 HN SER 38 -29.842 -1.941 6.346 324 HA SER 38 HA SER 38 -31.084 0.743 6.356 325 1HB SER 38 HB1 SER 38 -28.225 0.350 7.317 326 2HB SER 38 HB2 SER 38 -29.583 0.328 8.449 327 HG SER 38 HG1 SER 38 -29.300 2.338 6.489 328 H PHE 39 HN PHE 39 -30.201 2.186 4.873 329 HA PHE 39 HA PHE 39 -28.461 0.907 2.798 330 1HB PHE 39 HB1 PHE 39 -29.797 2.015 1.133 331 2HB PHE 39 HB2 PHE 39 -30.503 3.108 2.320 332 HD1 PHE 39 HD2 PHE 39 -32.051 2.148 4.085 333 HD2 PHE 39 HD1 PHE 39 -30.771 -0.147 0.739 334 HE1 PHE 39 HE2 PHE 39 -33.887 0.566 4.470 335 HE2 PHE 39 HE1 PHE 39 -32.606 -1.733 1.133 336 HZ PHE 39 HZ PHE 39 -34.162 -1.377 3.001 337 H LYS 40 HN LYS 40 -27.079 2.332 1.616 338 HA LYS 40 HA LYS 40 -25.966 4.444 3.319 339 1HB LYS 40 HB1 LYS 40 -25.180 3.195 0.649 340 2HB LYS 40 HB2 LYS 40 -24.411 2.942 2.197 341 1HG LYS 40 HG1 LYS 40 -24.394 5.546 0.623 342 2HG LYS 40 HG2 LYS 40 -23.044 4.445 0.812 343 1HD LYS 40 HD1 LYS 40 -23.279 4.772 3.327 344 2HD LYS 40 HD2 LYS 40 -24.371 6.100 2.969 345 1HE LYS 40 HE1 LYS 40 -22.088 6.954 3.258 346 2HE LYS 40 HE2 LYS 40 -22.598 7.161 1.588 347 1HZ LYS 40 HZ1 LYS 40 -20.311 5.995 2.360 348 2HZ LYS 40 HZ2 LYS 40 -21.065 5.742 0.859 349 3HZ LYS 40 HZ3 LYS 40 -21.310 4.642 2.129 350 H THR 41 HN THR 41 -28.174 4.188 0.767 351 HA THR 41 HA THR 41 -27.939 7.126 0.243 352 HB THR 41 HB THR 41 -28.473 6.706 -2.070 353 HG1 THR 41 HG1 THR 41 -30.254 5.370 -1.476 354 1HG2 THR 41 HG21 THR 41 -26.913 4.974 -2.776 355 2HG2 THR 41 HG22 THR 41 -27.204 4.017 -1.326 356 3HG2 THR 41 HG23 THR 41 -26.248 5.493 -1.230 357 H LYS 42 HN LYS 42 -29.881 8.232 -0.211 358 HA LYS 42 HA LYS 42 -32.071 7.327 1.454 359 1HB LYS 42 HB1 LYS 42 -31.717 9.768 -0.343 360 2HB LYS 42 HB2 LYS 42 -31.470 9.718 1.399 361 1HG LYS 42 HG1 LYS 42 -33.921 8.966 1.572 362 2HG LYS 42 HG2 LYS 42 -34.076 9.430 -0.118 363 1HD LYS 42 HD1 LYS 42 -32.786 11.615 1.010 364 2HD LYS 42 HD2 LYS 42 -33.912 11.127 2.271 365 1HE LYS 42 HE1 LYS 42 -35.127 12.639 0.866 366 2HE LYS 42 HE2 LYS 42 -35.703 11.031 0.448 367 1HZ LYS 42 HZ1 LYS 42 -33.470 12.270 -1.025 368 2HZ LYS 42 HZ2 LYS 42 -35.083 12.618 -1.428 369 3HZ LYS 42 HZ3 LYS 42 -34.510 11.022 -1.517 370 H GLY 43 HN GLY 43 -31.206 7.044 -1.816 371 1HA GLY 43 HA1 GLY 43 -32.383 6.253 -3.692 372 2HA GLY 43 HA2 GLY 43 -33.823 7.006 -3.010 373 H ASN 44 HN ASN 44 -31.679 4.250 -2.316 374 HA ASN 44 HA ASN 44 -33.481 2.189 -2.693 375 1HB ASN 44 HB1 ASN 44 -32.148 1.085 -0.701 376 2HB ASN 44 HB2 ASN 44 -31.225 2.582 -0.695 377 1HD2 ASN 44 HD21 ASN 44 -31.648 2.848 -3.707 378 2HD2 ASN 44 HD22 ASN 44 -30.550 1.749 -4.390 379 H LEU 45 HN LEU 45 -33.300 4.407 0.002 380 HA LEU 45 HA LEU 45 -34.956 3.008 1.836 381 1HB LEU 45 HB1 LEU 45 -35.034 6.024 1.434 382 2HB LEU 45 HB2 LEU 45 -33.583 5.258 2.057 383 HG LEU 45 HG LEU 45 -35.059 6.084 3.885 384 1HD1 LEU 45 HD11 LEU 45 -37.261 5.283 4.237 385 2HD1 LEU 45 HD12 LEU 45 -37.069 3.963 3.097 386 3HD1 LEU 45 HD13 LEU 45 -37.193 5.613 2.510 387 1HD2 LEU 45 HD21 LEU 45 -35.271 3.108 4.140 388 2HD2 LEU 45 HD22 LEU 45 -34.607 4.290 5.258 389 3HD2 LEU 45 HD23 LEU 45 -33.677 3.782 3.858 390 H THR 46 HN THR 46 -35.873 5.641 -0.385 391 HA THR 46 HA THR 46 -38.654 5.460 -0.021 392 HB THR 46 HB THR 46 -37.181 6.064 -2.657 393 HG1 THR 46 HG1 THR 46 -37.048 7.142 -0.245 394 1HG2 THR 46 HG21 THR 46 -39.870 6.899 -1.429 395 2HG2 THR 46 HG22 THR 46 -39.640 6.067 -2.964 396 3HG2 THR 46 HG23 THR 46 -39.143 7.747 -2.790 397 H LYS 47 HN LYS 47 -36.496 3.497 -1.955 398 HA LYS 47 HA LYS 47 -38.597 2.165 -3.436 399 1HB LYS 47 HB1 LYS 47 -35.755 1.248 -2.781 400 2HB LYS 47 HB2 LYS 47 -36.203 2.222 -4.178 401 1HG LYS 47 HG1 LYS 47 -37.890 0.287 -4.679 402 2HG LYS 47 HG2 LYS 47 -36.878 -0.657 -3.591 403 1HD LYS 47 HD1 LYS 47 -34.895 -0.123 -4.966 404 2HD LYS 47 HD2 LYS 47 -35.899 0.835 -6.049 405 1HE LYS 47 HE1 LYS 47 -37.299 -1.256 -6.422 406 2HE LYS 47 HE2 LYS 47 -36.060 -2.151 -5.552 407 1HZ LYS 47 HZ1 LYS 47 -36.072 -1.569 -8.218 408 2HZ LYS 47 HZ2 LYS 47 -34.753 -2.150 -7.320 409 3HZ LYS 47 HZ3 LYS 47 -34.942 -0.480 -7.570 410 H HIS 48 HN HIS 48 -36.743 1.321 -0.519 411 HA HIS 48 HA HIS 48 -38.011 -1.245 -0.192 412 1HB HIS 48 HB1 HIS 48 -36.582 0.614 1.770 413 2HB HIS 48 HB2 HIS 48 -35.912 -0.807 0.973 414 HD1 HIS 48 HD1 HIS 48 -37.260 -3.061 1.690 415 HD2 HIS 48 HD2 HIS 48 -37.684 0.096 4.252 416 HE1 HIS 48 HE1 HIS 48 -38.095 -4.028 3.776 417 H MET 49 HN MET 49 -39.047 1.963 0.446 418 HA MET 49 HA MET 49 -41.078 1.071 2.402 419 1HB MET 49 HB1 MET 49 -41.731 3.612 2.125 420 2HB MET 49 HB2 MET 49 -40.209 3.744 1.250 421 1HG MET 49 HG1 MET 49 -39.774 4.265 3.551 422 2HG MET 49 HG2 MET 49 -39.050 2.720 3.194 423 1HE MET 49 HE1 MET 49 -38.835 3.524 5.691 424 2HE MET 49 HE2 MET 49 -39.852 2.825 6.950 425 3HE MET 49 HE3 MET 49 -40.296 4.363 6.211 426 H LYS 50 HN LYS 50 -40.919 2.397 -0.880 427 HA LYS 50 HA LYS 50 -43.659 2.667 -1.404 428 1HB LYS 50 HB1 LYS 50 -41.793 1.419 -3.446 429 2HB LYS 50 HB2 LYS 50 -41.529 3.078 -2.921 430 1HG LYS 50 HG1 LYS 50 -43.832 3.666 -3.574 431 2HG LYS 50 HG2 LYS 50 -44.131 2.002 -4.061 432 1HD LYS 50 HD1 LYS 50 -42.577 2.139 -5.863 433 2HD LYS 50 HD2 LYS 50 -41.860 3.618 -5.235 434 1HE LYS 50 HE1 LYS 50 -43.348 4.144 -7.119 435 2HE LYS 50 HE2 LYS 50 -44.007 4.807 -5.629 436 1HZ LYS 50 HZ1 LYS 50 -44.821 2.237 -6.868 437 2HZ LYS 50 HZ2 LYS 50 -45.691 3.694 -6.957 438 3HZ LYS 50 HZ3 LYS 50 -45.480 2.921 -5.460 439 H SER 51 HN SER 51 -41.668 -0.247 -1.472 440 HA SER 51 HA SER 51 -43.508 -2.027 -2.643 441 1HB SER 51 HB1 SER 51 -41.434 -2.434 -0.429 442 2HB SER 51 HB2 SER 51 -41.270 -2.838 -2.149 443 HG SER 51 HG1 SER 51 -42.483 -4.551 -1.875 444 H LYS 52 HN LYS 52 -44.809 -3.691 -1.575 445 HA LYS 52 HA LYS 52 -46.667 -2.483 0.284 446 1HB LYS 52 HB1 LYS 52 -47.684 -4.827 0.249 447 2HB LYS 52 HB2 LYS 52 -46.320 -5.343 -0.732 448 1HG LYS 52 HG1 LYS 52 -48.163 -4.793 -2.226 449 2HG LYS 52 HG2 LYS 52 -46.909 -3.575 -2.413 450 1HD LYS 52 HD1 LYS 52 -48.232 -1.914 -1.578 451 2HD LYS 52 HD2 LYS 52 -48.885 -2.939 -0.309 452 1HE LYS 52 HE1 LYS 52 -49.699 -3.046 -3.232 453 2HE LYS 52 HE2 LYS 52 -50.635 -2.292 -1.948 454 1HZ LYS 52 HZ1 LYS 52 -51.554 -4.389 -2.163 455 2HZ LYS 52 HZ2 LYS 52 -50.508 -4.568 -0.838 456 3HZ LYS 52 HZ3 LYS 52 -50.050 -5.151 -2.365 457 H ALA 53 HN ALA 53 -43.681 -3.421 0.912 458 HA ALA 53 HA ALA 53 -43.657 -5.304 2.959 459 1HB ALA 53 HB1 ALA 53 -42.064 -2.894 2.255 460 2HB ALA 53 HB2 ALA 53 -41.506 -4.501 2.707 461 3HB ALA 53 HB3 ALA 53 -41.961 -3.345 3.954 462 H HIS 54 HN HIS 54 -43.576 -1.870 3.835 463 HA HIS 54 HA HIS 54 -45.942 -1.981 5.432 464 1HB HIS 54 HB1 HIS 54 -44.850 -3.232 7.062 465 2HB HIS 54 HB2 HIS 54 -44.388 -1.624 7.596 466 HD1 HIS 54 HD1 HIS 54 -42.960 -4.708 6.428 467 HD2 HIS 54 HD2 HIS 54 -41.678 -0.832 6.670 468 HE1 HIS 54 HE1 HIS 54 -40.515 -4.814 6.267 469 H SER 55 HN SER 55 -46.535 0.000 4.916 470 HA SER 55 HA SER 55 -44.865 2.242 5.836 471 1HB SER 55 HB1 SER 55 -45.283 3.418 3.586 472 2HB SER 55 HB2 SER 55 -45.862 1.862 2.960 473 HG SER 55 HG1 SER 55 -43.543 2.265 2.722 474 H LYS 56 HN LYS 56 -46.333 2.819 7.317 475 HA LYS 56 HA LYS 56 -49.177 2.937 6.843 476 1HB LYS 56 HB1 LYS 56 -49.250 4.004 9.064 477 2HB LYS 56 HB2 LYS 56 -47.529 4.362 8.987 478 1HG LYS 56 HG1 LYS 56 -47.045 1.919 8.887 479 2HG LYS 56 HG2 LYS 56 -48.765 1.584 9.032 480 1HD LYS 56 HD1 LYS 56 -47.426 3.344 11.080 481 2HD LYS 56 HD2 LYS 56 -47.241 1.599 11.194 482 1HE LYS 56 HE1 LYS 56 -50.017 2.559 10.727 483 2HE LYS 56 HE2 LYS 56 -49.329 2.960 12.293 484 1HZ LYS 56 HZ1 LYS 56 -49.301 0.228 11.154 485 2HZ LYS 56 HZ2 LYS 56 -50.515 0.801 12.194 486 3HZ LYS 56 HZ3 LYS 56 -48.911 0.692 12.740 487 H LYS 57 HN LYS 57 -48.471 4.244 4.750 488 HA LYS 57 HA LYS 57 -47.830 6.964 4.855 489 1HB LYS 57 HB1 LYS 57 -48.054 5.611 2.751 490 2HB LYS 57 HB2 LYS 57 -48.973 7.108 2.650 491 1HG LYS 57 HG1 LYS 57 -50.995 6.026 2.674 492 2HG LYS 57 HG2 LYS 57 -50.438 4.800 3.807 493 1HD LYS 57 HD1 LYS 57 -50.872 3.787 1.605 494 2HD LYS 57 HD2 LYS 57 -49.154 3.709 1.976 495 1HE LYS 57 HE1 LYS 57 -48.637 5.482 0.487 496 2HE LYS 57 HE2 LYS 57 -50.306 6.031 0.425 497 1HZ LYS 57 HZ1 LYS 57 -50.838 3.869 -0.662 498 2HZ LYS 57 HZ2 LYS 57 -49.169 3.579 -0.781 499 3HZ LYS 57 LYS 57 -49.859 4.909 -1.582 Start of MODEL 34 Raw file had 499 H/Q atoms Start of MODEL 34 1 1H LYS 1 HT1 LYS 1 -10.884 -10.490 -10.089 2 2H LYS 1 HT2 LYS 1 -10.797 -9.383 -8.803 3 3H LYS 1 HT3 LYS 1 -11.269 -8.856 -10.347 4 HA LYS 1 HA LYS 1 -13.295 -10.044 -10.253 5 1HB LYS 1 HB1 LYS 1 -13.684 -11.772 -8.761 6 2HB LYS 1 HB2 LYS 1 -12.924 -10.914 -7.425 7 1HG LYS 1 HG1 LYS 1 -10.705 -11.492 -8.240 8 2HG LYS 1 HG2 LYS 1 -11.383 -12.196 -9.705 9 1HD LYS 1 HD1 LYS 1 -12.434 -13.974 -8.461 10 2HD LYS 1 HD2 LYS 1 -12.073 -13.194 -6.926 11 1HE LYS 1 HE1 LYS 1 -9.776 -13.689 -7.068 12 2HE LYS 1 HE2 LYS 1 -9.837 -13.919 -8.811 13 1HZ LYS 1 HZ1 LYS 1 -10.988 -15.959 -8.537 14 2HZ LYS 1 HZ2 LYS 1 -11.183 -15.706 -6.869 15 3HZ LYS 1 HZ3 LYS 1 -9.636 -15.996 -7.509 16 OH TYR 2 OH TYR 2 -8.953 -5.297 -8.523 17 H TYR 2 HN TYR 2 -14.820 -8.596 -9.844 18 HA TYR 2 HA TYR 2 -14.779 -7.128 -7.264 19 1HB TYR 2 HB1 TYR 2 -15.064 -4.961 -8.465 20 2HB TYR 2 HB2 TYR 2 -14.876 -5.791 -10.008 21 HD1 TYR 2 HD2 TYR 2 -13.143 -4.948 -6.844 22 HD2 TYR 2 HD1 TYR 2 -12.699 -6.388 -10.818 23 HE1 TYR 2 HE2 TYR 2 -10.710 -4.703 -6.661 24 HE2 TYR 2 HE1 TYR 2 -10.265 -6.163 -10.630 25 HH TYR 2 HH TYR 2 -8.762 -4.806 -7.721 26 H ILE 3 HN ILE 3 -16.609 -8.782 -7.260 27 HA ILE 3 HA ILE 3 -19.075 -7.357 -8.118 28 HB ILE 3 HB ILE 3 -18.735 -10.378 -8.382 29 1HG1 ILE 3 HG11 ILE 3 -17.101 -9.341 -9.873 30 2HG1 ILE 3 HG12 ILE 3 -18.318 -8.229 -10.490 31 1HG2 ILE 3 HG21 ILE 3 -20.809 -10.252 -9.560 32 2HG2 ILE 3 HG22 ILE 3 -20.604 -8.541 -9.927 33 3HG2 ILE 3 HG23 ILE 3 -21.027 -9.048 -8.294 34 1HD1 ILE 3 HD1 ILE 3 -17.805 -10.387 -11.868 35 2HD1 ILE 3 HD2 ILE 3 -19.489 -9.942 -11.616 36 3HD1 ILE 3 HD3 ILE 3 -18.759 -11.210 -10.638 37 H CYS 4 HN CYS 4 -20.363 -7.108 -6.403 38 HA CYS 4 HA CYS 4 -19.769 -8.376 -3.912 39 1HB CYS 4 HB1 CYS 4 -22.218 -6.903 -4.896 40 2HB CYS 4 HB2 CYS 4 -20.923 -6.248 -3.935 41 H GLU 5 HN GLU 5 -20.135 -10.367 -3.379 42 HA GLU 5 HA GLU 5 -21.754 -12.150 -4.902 43 1HB GLU 5 HB1 GLU 5 -21.305 -13.743 -3.029 44 2HB GLU 5 HB2 GLU 5 -20.714 -12.410 -2.044 45 1HG GLU 5 HG1 GLU 5 -18.688 -12.451 -3.061 46 2HG GLU 5 HG2 GLU 5 -19.422 -12.466 -4.663 47 H GLU 6 HN GLU 6 -22.582 -9.889 -2.495 48 HA GLU 6 HA GLU 6 -24.976 -11.359 -1.679 49 1HB GLU 6 HB1 GLU 6 -24.307 -8.490 -0.950 50 2HB GLU 6 HB2 GLU 6 -23.499 -9.835 -0.155 51 1HG GLU 6 HG1 GLU 6 -25.702 -10.754 0.516 52 2HG GLU 6 HG2 GLU 6 -26.504 -9.399 -0.271 53 H CYS 7 HN CYS 7 -24.540 -7.985 -2.734 54 HA CYS 7 HA CYS 7 -27.258 -7.878 -3.735 55 1HB CYS 7 HB1 CYS 7 -26.717 -5.652 -4.428 56 2HB CYS 7 HB2 CYS 7 -25.020 -6.008 -4.536 57 H GLY 8 HN GLY 8 -24.063 -8.003 -5.260 58 1HA GLY 8 HA1 GLY 8 -25.374 -9.052 -7.730 59 2HA GLY 8 HA2 GLY 8 -23.706 -9.375 -7.265 60 H ILE 9 HN ILE 9 -23.639 -6.407 -6.421 61 HA ILE 9 HA ILE 9 -23.970 -4.814 -8.736 62 HB ILE 9 HB ILE 9 -23.520 -4.128 -6.245 63 1HG1 ILE 9 HG11 ILE 9 -22.539 -2.804 -8.744 64 2HG1 ILE 9 HG12 ILE 9 -22.106 -2.078 -7.199 65 1HG2 ILE 9 HG21 ILE 9 -21.234 -5.428 -6.377 66 2HG2 ILE 9 HG22 ILE 9 -21.224 -3.854 -5.600 67 3HG2 ILE 9 HG23 ILE 9 -20.645 -4.023 -7.251 68 1HD1 ILE 9 HD1 ILE 9 -24.389 -1.793 -6.573 69 2HD1 ILE 9 HD2 ILE 9 -24.951 -2.886 -7.833 70 3HD1 ILE 9 HD3 ILE 9 -24.323 -1.299 -8.263 71 NH1 ARG 10 NH2 ARG 10 -18.423 -6.521 -16.136 72 NH2 ARG 10 NH1 ARG 10 -20.298 -7.669 -16.758 73 H ARG 10 HN ARG 10 -22.704 -4.378 -10.450 74 HA ARG 10 HA ARG 10 -20.191 -5.971 -10.701 75 1HB ARG 10 HB1 ARG 10 -21.883 -4.692 -12.894 76 2HB ARG 10 HB2 ARG 10 -22.120 -6.342 -12.332 77 1HG ARG 10 HG1 ARG 10 -19.317 -5.911 -12.873 78 2HG ARG 10 HG2 ARG 10 -20.259 -5.428 -14.277 79 1HD ARG 10 HD1 ARG 10 -21.462 -7.616 -14.188 80 2HD ARG 10 HD2 ARG 10 -20.429 -8.100 -12.844 81 HE ARG 10 HE ARG 10 -18.789 -8.611 -14.447 82 1HH1 ARG 10 HH21 ARG 10 -17.741 -6.310 -15.435 83 2HH1 ARG 10 HH22 ARG 10 -18.368 -6.085 -17.034 84 1HH2 ARG 10 HH11 ARG 10 -21.021 -8.319 -16.524 85 2HH2 ARG 10 HH12 ARG 10 -20.274 -7.253 -17.666 86 H ABA 11 HN ABU 11 -18.461 -4.759 -10.263 87 HA ABA 11 HA ABU 11 -18.248 -2.109 -11.626 88 1HB ABA 11 HB1 ABU 11 -17.246 -1.165 -9.597 89 2HB ABA 11 HB2 ABU 11 -17.318 -2.714 -8.793 90 1HG ABA 11 HG1 ABU 11 -19.702 -1.080 -9.706 91 2HG ABA 11 HG2 ABU 11 -19.185 -1.312 -8.037 92 3HG ABA 11 HG3 ABU 11 -19.801 -2.674 -8.967 93 H LYS 12 HN LYS 12 -16.822 -2.809 -13.142 94 HA LYS 12 HA LYS 12 -14.700 -4.611 -12.800 95 1HB LYS 12 HB1 LYS 12 -13.719 -3.390 -14.825 96 2HB LYS 12 HB2 LYS 12 -15.026 -2.222 -14.661 97 1HG LYS 12 HG1 LYS 12 -16.682 -4.062 -14.880 98 2HG LYS 12 HG2 LYS 12 -15.367 -5.215 -15.071 99 1HD LYS 12 HD1 LYS 12 -15.414 -2.827 -16.882 100 2HD LYS 12 HD2 LYS 12 -16.561 -4.123 -17.195 101 1HE LYS 12 HE1 LYS 12 -14.882 -5.683 -17.643 102 2HE LYS 12 HE2 LYS 12 -13.684 -4.821 -16.686 103 1HZ LYS 12 HZ1 LYS 12 -14.746 -3.426 -19.007 104 2HZ LYS 12 HZ2 LYS 12 -13.736 -4.754 -19.320 105 3HZ LYS 12 HZ3 LYS 12 -13.168 -3.457 -18.383 106 H LYS 13 HN LYS 13 -14.964 -1.454 -11.512 107 HA LYS 13 HA LYS 13 -12.006 -1.283 -11.220 108 1HB LYS 13 HB1 LYS 13 -12.595 1.127 -10.466 109 2HB LYS 13 HB2 LYS 13 -14.227 0.777 -11.021 110 1HG LYS 13 HG1 LYS 13 -13.432 1.542 -13.027 111 2HG LYS 13 HG2 LYS 13 -12.778 -0.087 -13.166 112 1HD LYS 13 HD1 LYS 13 -10.667 0.703 -12.089 113 2HD LYS 13 HD2 LYS 13 -11.324 2.336 -12.049 114 1HE LYS 13 HE1 LYS 13 -9.942 2.158 -14.028 115 2HE LYS 13 HE2 LYS 13 -11.619 2.189 -14.557 116 1HZ LYS 13 HZ1 LYS 13 -9.705 -0.018 -14.569 117 2HZ LYS 13 HZ2 LYS 13 -10.860 0.425 -15.732 118 3HZ LYS 13 HZ3 LYS 13 -11.343 -0.392 -14.323 119 HA PRO 14 HA PRO 14 -12.303 -2.255 -6.889 120 1HB PRO 14 HB1 PRO 14 -10.046 -2.185 -6.415 121 2HB PRO 14 HB2 PRO 14 -10.237 -0.483 -5.995 122 1HG PRO 14 HG1 PRO 14 -8.763 -1.495 -8.192 123 2HG PRO 14 HG2 PRO 14 -9.220 0.191 -7.944 124 1HD PRO 14 HD1 PRO 14 -10.551 0.004 -9.804 125 2HD PRO 14 HD2 PRO 14 -10.302 -1.754 -9.845 126 H SER 15 HN SER 15 -11.204 1.134 -6.965 127 HA SER 15 HA SER 15 -12.333 2.260 -4.797 128 1HB SER 15 HB1 SER 15 -11.274 3.693 -6.484 129 2HB SER 15 HB2 SER 15 -12.933 4.297 -6.305 130 HG SER 15 HG1 SER 15 -13.490 3.387 -8.161 131 H MET 16 HN MET 16 -14.219 1.458 -7.689 132 HA MET 16 HA MET 16 -16.698 2.423 -6.573 133 1HB MET 16 HB1 MET 16 -17.626 0.809 -8.436 134 2HB MET 16 HB2 MET 16 -15.932 0.604 -8.878 135 1HG MET 16 HG1 MET 16 -15.811 3.168 -8.863 136 2HG MET 16 HG2 MET 16 -17.555 3.142 -8.833 137 1HE MET 16 HE1 MET 16 -18.713 2.078 -12.198 138 2HE MET 16 HE2 MET 16 -19.051 2.993 -10.729 139 3HE MET 16 HE3 MET 16 -18.713 1.265 -10.633 140 H LEU 17 HN LEU 17 -15.369 -0.883 -6.989 141 HA LEU 17 HA LEU 17 -17.525 -2.102 -5.521 142 1HB LEU 17 HB1 LEU 17 -14.713 -3.243 -5.751 143 2HB LEU 17 HB2 LEU 17 -15.758 -3.184 -7.149 144 HG LEU 17 HG LEU 17 -15.835 -5.398 -5.955 145 1HD1 LEU 17 HD11 LEU 17 -17.304 -3.970 -3.738 146 2HD1 LEU 17 HD12 LEU 17 -15.579 -4.301 -3.662 147 3HD1 LEU 17 HD13 LEU 17 -16.726 -5.626 -3.777 148 1HD2 LEU 17 HD21 LEU 17 -18.135 -5.737 -6.237 149 2HD2 LEU 17 HD22 LEU 17 -17.861 -4.307 -7.213 150 3HD2 LEU 17 HD23 LEU 17 -18.565 -4.151 -5.615 151 H LYS 18 HN LYS 18 -14.107 -1.588 -4.681 152 HA LYS 18 HA LYS 18 -13.959 -2.303 -2.071 153 1HB LYS 18 HB1 LYS 18 -12.910 0.147 -3.515 154 2HB LYS 18 HB2 LYS 18 -12.012 -1.246 -2.923 155 1HG LYS 18 HG1 LYS 18 -12.762 -0.429 -0.557 156 2HG LYS 18 HG2 LYS 18 -13.093 1.101 -1.364 157 1HD LYS 18 HD1 LYS 18 -10.749 1.073 -2.258 158 2HD LYS 18 HD2 LYS 18 -10.440 -0.371 -1.298 159 1HE LYS 18 HE1 LYS 18 -9.997 0.941 0.483 160 2HE LYS 18 HE2 LYS 18 -11.656 1.524 0.439 161 1HZ LYS 18 HZ1 LYS 18 -10.999 3.228 -1.117 162 2HZ LYS 18 HZ2 LYS 18 -9.402 2.651 -1.124 163 3HZ LYS 18 HZ3 LYS 18 -10.054 3.326 0.291 164 H LYS 19 HN LYS 19 -15.419 0.736 -3.188 165 HA LYS 19 HA LYS 19 -16.137 1.565 -0.535 166 1HB LYS 19 HB1 LYS 19 -17.886 2.922 -2.136 167 2HB LYS 19 HB2 LYS 19 -16.709 2.431 -3.347 168 1HG LYS 19 HG1 LYS 19 -14.893 3.424 -1.994 169 2HG LYS 19 HG2 LYS 19 -16.065 3.907 -0.771 170 1HD LYS 19 HD1 LYS 19 -17.272 5.213 -2.582 171 2HD LYS 19 HD2 LYS 19 -15.909 4.872 -3.644 172 1HE LYS 19 HE1 LYS 19 -14.477 5.819 -1.646 173 2HE LYS 19 HE2 LYS 19 -15.993 6.567 -1.160 174 1HZ LYS 19 HZ1 LYS 19 -15.235 8.172 -2.522 175 2HZ LYS 19 HZ2 LYS 19 -15.989 7.216 -3.708 176 3HZ LYS 19 HZ3 LYS 19 -14.310 7.109 -3.471 177 H HIS 20 HN HIS 20 -17.798 -0.090 -3.165 178 HA HIS 20 HA HIS 20 -20.386 -0.165 -2.017 179 1HB HIS 20 HB1 HIS 20 -18.987 -2.233 -3.764 180 2HB HIS 20 HB2 HIS 20 -19.936 -0.876 -4.363 181 HD1 HIS 20 HD1 HIS 20 -22.356 -1.454 -4.590 182 HD2 HIS 20 HD2 HIS 20 -20.491 -4.076 -2.102 183 HE1 HIS 20 HE1 HIS 20 -24.057 -3.106 -3.988 184 H ILE 21 HN ILE 21 -17.813 -2.634 -1.925 185 HA ILE 21 HA ILE 21 -19.188 -4.400 -0.199 186 HB ILE 21 HB ILE 21 -16.810 -4.559 -1.491 187 1HG1 ILE 21 HG11 ILE 21 -17.567 -6.001 1.077 188 2HG1 ILE 21 HG12 ILE 21 -16.262 -6.518 0.019 189 1HG2 ILE 21 HG21 ILE 21 -14.919 -4.343 -0.009 190 2HG2 ILE 21 HG22 ILE 21 -15.940 -4.225 1.419 191 3HG2 ILE 21 HG23 ILE 21 -15.855 -2.894 0.280 192 1HD1 ILE 21 HD1 ILE 21 -18.520 -6.092 -1.660 193 2HD1 ILE 21 HD2 ILE 21 -19.100 -6.987 -0.261 194 3HD1 ILE 21 HD3 ILE 21 -17.782 -7.631 -1.233 195 NH1 ARG 22 NH2 ARG 22 -12.783 -1.952 3.462 196 NH2 ARG 22 NH1 ARG 22 -11.746 -0.971 1.676 197 H ARG 22 HN ARG 22 -17.425 -1.456 0.485 198 HA ARG 22 HA ARG 22 -17.309 -1.935 3.361 199 1HB ARG 22 HB1 ARG 22 -16.920 0.676 3.291 200 2HB ARG 22 HB2 ARG 22 -16.873 0.461 1.544 201 1HG ARG 22 HG1 ARG 22 -15.066 -1.190 1.768 202 2HG ARG 22 HG2 ARG 22 -15.142 -1.063 3.522 203 1HD ARG 22 HD1 ARG 22 -14.718 1.475 3.155 204 2HD ARG 22 HD2 ARG 22 -14.210 1.011 1.531 205 HE ARG 22 HE ARG 22 -12.503 0.842 3.692 206 1HH1 ARG 22 HH21 ARG 22 -13.366 -1.862 4.268 207 2HH1 ARG 22 HH22 ARG 22 -12.411 -2.846 3.209 208 1HH2 ARG 22 HH11 ARG 22 -11.555 -0.146 1.144 209 2HH2 ARG 22 HH12 ARG 22 -11.359 -1.849 1.394 210 H THR 23 HN THR 23 -19.748 -0.905 1.198 211 HA THR 23 HA THR 23 -21.225 0.720 3.094 212 HB THR 23 HB THR 23 -22.514 -0.831 0.788 213 HG1 THR 23 HG1 THR 23 -20.301 0.565 0.689 214 1HG2 THR 23 HG21 THR 23 -22.778 2.130 1.168 215 2HG2 THR 23 HG22 THR 23 -23.459 1.179 2.485 216 3HG2 THR 23 HG23 THR 23 -24.045 0.952 0.840 217 H HIS 24 HN HIS 24 -20.784 -2.669 2.724 218 HA HIS 24 HA HIS 24 -23.327 -3.360 4.052 219 1HB HIS 24 HB1 HIS 24 -22.166 -5.693 4.114 220 2HB HIS 24 HB2 HIS 24 -20.869 -4.948 3.185 221 HD1 HIS 24 HD1 HIS 24 -24.598 -5.312 2.850 222 HD2 HIS 24 HD2 HIS 24 -21.286 -5.021 0.486 223 HE1 HIS 24 HE1 HIS 24 -25.402 -5.618 0.532 224 H THR 25 HN THR 25 -20.830 -1.807 5.195 225 HA THR 25 HA THR 25 -20.203 -3.444 7.548 226 HB THR 25 HB THR 25 -18.943 -1.241 8.160 227 HG1 THR 25 HG1 THR 25 -18.919 0.063 6.123 228 1HG2 THR 25 HG21 THR 25 -17.339 -1.397 6.221 229 2HG2 THR 25 HG22 THR 25 -18.522 -2.354 5.334 230 3HG2 THR 25 HG23 THR 25 -17.764 -3.010 6.783 231 H ASP 26 HN ASP 26 -20.614 -0.108 8.038 232 HA ASP 26 HA ASP 26 -23.292 -0.370 9.214 233 1HB ASP 26 HB1 ASP 26 -22.473 0.452 11.454 234 2HB ASP 26 HB2 ASP 26 -20.815 0.349 10.867 235 H VAL 27 HN VAL 27 -21.874 1.047 7.126 236 HA VAL 27 HA VAL 27 -22.047 3.858 8.061 237 HB VAL 27 HB VAL 27 -20.006 3.179 6.854 238 1HG1 VAL 27 HG11 VAL 27 -21.847 2.463 4.554 239 2HG1 VAL 27 HG12 VAL 27 -21.056 1.298 5.601 240 3HG1 VAL 27 HG13 VAL 27 -20.092 2.336 4.562 241 1HG2 VAL 27 HG21 VAL 27 -19.905 5.155 5.733 242 2HG2 VAL 27 HG22 VAL 27 -21.579 5.377 6.229 243 3HG2 VAL 27 HG23 VAL 27 -21.213 4.699 4.647 244 NH1 ARG 28 NH1 ARG 28 -27.327 -1.968 3.229 245 NH2 ARG 28 NH2 ARG 28 -25.263 -2.803 2.714 246 H ARG 28 HN ARG 28 -24.455 2.588 7.880 247 HA ARG 28 HA ARG 28 -25.721 3.901 5.507 248 1HB ARG 28 HB1 ARG 28 -27.466 2.001 5.797 249 2HB ARG 28 HB2 ARG 28 -26.272 1.212 6.820 250 1HG ARG 28 HG1 ARG 28 -24.695 1.766 4.723 251 2HG ARG 28 HG2 ARG 28 -26.235 1.686 3.876 252 1HD ARG 28 HD1 ARG 28 -26.575 -0.531 5.242 253 2HD ARG 28 HD2 ARG 28 -24.824 -0.474 5.430 254 HE ARG 28 HE ARG 28 -24.981 -0.183 2.771 255 1HH1 ARG 28 HH11 ARG 28 -27.885 -1.201 3.546 256 2HH1 ARG 28 HH12 ARG 28 -27.760 -2.837 2.993 257 1HH2 ARG 28 HH21 ARG 28 -24.276 -2.663 2.645 258 2HH2 ARG 28 HH22 ARG 28 -25.661 -3.687 2.469 259 HA PRO 29 HA PRO 29 -27.487 5.607 9.440 260 1HB PRO 29 HB1 PRO 29 -26.979 7.836 9.248 261 2HB PRO 29 HB2 PRO 29 -28.150 8.014 7.941 262 1HG PRO 29 HG1 PRO 29 -25.239 7.882 7.753 263 2HG PRO 29 HG2 PRO 29 -26.401 8.219 6.469 264 1HD PRO 29 HD1 PRO 29 -26.207 6.103 5.655 265 2HD PRO 29 HD2 PRO 29 -24.889 5.825 6.810 266 OH TYR 30 OH TYR 30 -29.721 10.843 3.213 267 H TYR 30 HN TYR 30 -28.818 5.746 6.155 268 HA TYR 30 HA TYR 30 -31.521 6.306 6.966 269 1HB TYR 30 HB1 TYR 30 -32.086 5.370 4.670 270 2HB TYR 30 HB2 TYR 30 -30.404 4.883 4.502 271 HD1 TYR 30 HD1 TYR 30 -32.470 7.906 5.290 272 HD2 TYR 30 HD2 TYR 30 -28.871 6.411 3.582 273 HE1 TYR 30 HE1 TYR 30 -31.887 10.165 4.539 274 HE2 TYR 30 HE2 TYR 30 -28.291 8.671 2.831 275 HH TYR 30 HH TYR 30 -29.746 10.853 2.254 276 H HIS 31 HN HIS 31 -32.173 4.979 8.643 277 HA HIS 31 HA HIS 31 -32.167 2.032 8.158 278 1HB HIS 31 HB1 HIS 31 -32.751 1.905 10.597 279 2HB HIS 31 HB2 HIS 31 -32.810 3.664 10.668 280 HD1 HIS 31 HD1 HIS 31 -30.330 1.015 9.935 281 HD2 HIS 31 HD2 HIS 31 -30.400 4.879 11.162 282 HE1 HIS 31 HE1 HIS 31 -28.023 1.537 10.477 283 H CYS 32 HN CYS 32 -34.054 0.892 7.870 284 HA CYS 32 HA CYS 32 -36.423 2.256 7.098 285 1HB CYS 32 HB1 CYS 32 -35.794 -0.579 7.959 286 2HB CYS 32 HB2 CYS 32 -36.257 -0.003 6.379 287 H THR 33 HN THR 33 -38.435 2.504 8.176 288 HA THR 33 HA THR 33 -38.108 3.066 11.034 289 HB THR 33 HB THR 33 -40.641 3.267 9.304 290 HG1 THR 33 HG1 THR 33 -38.795 4.397 8.508 291 1HG2 THR 33 HG21 THR 33 -41.538 4.251 11.206 292 2HG2 THR 33 HG22 THR 33 -40.169 5.357 11.280 293 3HG2 THR 33 HG23 THR 33 -40.086 3.797 12.091 294 OH TYR 34 OH TYR 34 -44.658 2.417 9.015 295 H TYR 34 HN TYR 34 -38.268 0.259 9.765 296 HA TYR 34 HA TYR 34 -40.008 -0.842 11.900 297 1HB TYR 34 HB1 TYR 34 -41.099 -2.400 10.304 298 2HB TYR 34 HB2 TYR 34 -40.160 -1.735 8.975 299 HD1 TYR 34 HD2 TYR 34 -40.536 0.688 8.309 300 HD2 TYR 34 HD1 TYR 34 -43.103 -1.323 11.038 301 HE1 TYR 34 HE2 TYR 34 -42.280 2.361 7.902 302 HE2 TYR 34 HE1 TYR 34 -44.846 0.354 10.628 303 HH TYR 34 HH TYR 34 -44.776 2.498 8.066 304 H CYS 35 HN CYS 35 -38.306 -2.114 9.058 305 HA CYS 35 HA CYS 35 -37.270 -4.413 10.383 306 1HB CYS 35 HB1 CYS 35 -35.800 -4.610 8.437 307 2HB CYS 35 HB2 CYS 35 -36.006 -2.927 8.054 308 H ASN 36 HN ASN 36 -34.639 -4.523 9.806 309 HA ASN 36 HA ASN 36 -33.416 -2.473 11.607 310 1HB ASN 36 HB1 ASN 36 -32.641 -5.417 11.258 311 2HB ASN 36 HB2 ASN 36 -33.587 -4.798 12.610 312 1HD2 ASN 36 HD21 ASN 36 -32.114 -2.294 12.909 313 2HD2 ASN 36 HD22 ASN 36 -30.576 -2.686 13.512 314 H PHE 37 HN PHE 37 -33.685 -3.375 8.540 315 HA PHE 37 HA PHE 37 -30.870 -3.430 7.747 316 1HB PHE 37 HB1 PHE 37 -33.175 -2.853 5.867 317 2HB PHE 37 HB2 PHE 37 -33.005 -4.467 6.552 318 HD1 PHE 37 HD2 PHE 37 -30.763 -5.677 6.239 319 HD2 PHE 37 HD1 PHE 37 -31.790 -2.161 4.062 320 HE1 PHE 37 HE2 PHE 37 -29.027 -6.191 4.581 321 HE2 PHE 37 HE1 PHE 37 -30.052 -2.682 2.408 322 HZ PHE 37 HZ PHE 37 -28.670 -4.696 2.666 323 H SER 38 HN SER 38 -30.084 -1.831 6.104 324 HA SER 38 HA SER 38 -31.325 0.826 6.343 325 1HB SER 38 HB1 SER 38 -28.414 0.364 7.146 326 2HB SER 38 HB2 SER 38 -29.733 0.530 8.313 327 HG SER 38 HG1 SER 38 -29.210 2.366 6.219 328 H PHE 39 HN PHE 39 -30.074 2.460 5.053 329 HA PHE 39 HA PHE 39 -28.649 1.190 2.763 330 1HB PHE 39 HB1 PHE 39 -30.064 2.363 1.206 331 2HB PHE 39 HB2 PHE 39 -30.716 3.401 2.476 332 HD1 PHE 39 HD2 PHE 39 -32.217 2.407 4.235 333 HD2 PHE 39 HD1 PHE 39 -30.996 0.168 0.823 334 HE1 PHE 39 HE2 PHE 39 -33.970 0.750 4.691 335 HE2 PHE 39 HE1 PHE 39 -32.762 -1.478 1.277 336 HZ PHE 39 HZ PHE 39 -34.246 -1.190 3.214 337 H LYS 40 HN LYS 40 -27.397 2.706 1.499 338 HA LYS 40 HA LYS 40 -26.136 4.721 3.233 339 1HB LYS 40 HB1 LYS 40 -25.533 3.651 0.437 340 2HB LYS 40 HB2 LYS 40 -24.712 3.211 1.919 341 1HG LYS 40 HG1 LYS 40 -24.658 5.942 0.583 342 2HG LYS 40 HG2 LYS 40 -23.328 4.800 0.680 343 1HD LYS 40 HD1 LYS 40 -23.793 4.960 3.279 344 2HD LYS 40 HD2 LYS 40 -24.509 6.503 2.844 345 1HE LYS 40 HE1 LYS 40 -21.661 5.587 2.519 346 2HE LYS 40 HE2 LYS 40 -22.263 7.083 3.220 347 1HZ LYS 40 HZ1 LYS 40 -21.689 6.437 0.476 348 2HZ LYS 40 HZ2 LYS 40 -21.750 7.947 1.250 349 3HZ LYS 40 HZ3 LYS 40 -23.181 7.219 0.697 350 H THR 41 HN THR 41 -28.486 4.621 0.757 351 HA THR 41 HA THR 41 -28.336 7.602 0.535 352 HB THR 41 HB THR 41 -28.718 7.467 -1.861 353 HG1 THR 41 HG1 THR 41 -29.649 5.685 -2.687 354 1HG2 THR 41 HG21 THR 41 -26.948 5.985 -2.681 355 2HG2 THR 41 HG22 THR 41 -27.145 4.890 -1.316 356 3HG2 THR 41 HG23 THR 41 -26.403 6.469 -1.078 357 H LYS 42 HN LYS 42 -30.327 8.637 0.036 358 HA LYS 42 HA LYS 42 -32.540 7.491 1.463 359 1HB LYS 42 HB1 LYS 42 -32.479 9.913 -0.394 360 2HB LYS 42 HB2 LYS 42 -32.050 9.966 1.310 361 1HG LYS 42 HG1 LYS 42 -34.381 8.945 1.747 362 2HG LYS 42 HG2 LYS 42 -34.750 9.379 0.082 363 1HD LYS 42 HD1 LYS 42 -33.637 11.707 0.964 364 2HD LYS 42 HD2 LYS 42 -34.378 11.126 2.451 365 1HE LYS 42 HE1 LYS 42 -35.991 12.495 1.215 366 2HE LYS 42 HE2 LYS 42 -36.529 10.820 1.227 367 1HZ LYS 42 HZ1 LYS 42 -34.954 11.008 -0.990 368 2HZ LYS 42 HZ2 LYS 42 -35.806 12.477 -0.977 369 3HZ LYS 42 HZ3 LYS 42 -36.651 11.005 -0.962 370 H GLY 43 HN GLY 43 -31.468 7.365 -1.776 371 1HA GLY 43 HA1 GLY 43 -32.430 6.424 -3.703 372 2HA GLY 43 HA2 GLY 43 -33.979 7.028 -3.116 373 H ASN 44 HN ASN 44 -31.622 4.434 -2.531 374 HA ASN 44 HA ASN 44 -33.327 2.279 -2.875 375 1HB ASN 44 HB1 ASN 44 -31.784 1.102 -1.173 376 2HB ASN 44 HB2 ASN 44 -31.013 2.667 -0.922 377 1HD2 ASN 44 HD21 ASN 44 -29.660 0.363 -2.061 378 2HD2 ASN 44 HD22 ASN 44 -29.238 0.757 -3.657 379 H LEU 45 HN LEU 45 -32.981 4.329 -0.043 380 HA LEU 45 HA LEU 45 -34.489 2.728 1.762 381 1HB LEU 45 HB1 LEU 45 -34.131 5.768 1.546 382 2HB LEU 45 HB2 LEU 45 -33.165 4.676 2.516 383 HG LEU 45 HG LEU 45 -34.660 5.682 4.070 384 1HD1 LEU 45 HD11 LEU 45 -37.239 4.972 2.802 385 2HD1 LEU 45 HD12 LEU 45 -36.328 6.191 1.930 386 3HD1 LEU 45 HD13 LEU 45 -36.753 6.453 3.612 387 1HD2 LEU 45 HD21 LEU 45 -34.497 3.134 4.115 388 2HD2 LEU 45 HD22 LEU 45 -36.090 3.100 3.372 389 3HD2 LEU 45 HD23 LEU 45 -35.877 3.828 4.957 390 H THR 46 HN THR 46 -35.493 5.404 -0.354 391 HA THR 46 HA THR 46 -38.259 5.305 0.289 392 HB THR 46 HB THR 46 -36.878 6.083 -2.353 393 HG1 THR 46 HG1 THR 46 -37.222 8.162 -1.295 394 1HG2 THR 46 HG21 THR 46 -39.676 6.508 -1.190 395 2HG2 THR 46 HG22 THR 46 -39.261 6.020 -2.830 396 3HG2 THR 46 HG23 THR 46 -38.989 7.680 -2.310 397 H LYS 47 HN LYS 47 -36.322 3.452 -1.986 398 HA LYS 47 HA LYS 47 -38.512 2.248 -3.387 399 1HB LYS 47 HB1 LYS 47 -36.759 0.457 -3.919 400 2HB LYS 47 HB2 LYS 47 -35.660 1.300 -2.834 401 1HG LYS 47 HG1 LYS 47 -35.069 2.479 -4.696 402 2HG LYS 47 HG2 LYS 47 -36.562 3.366 -4.403 403 1HD LYS 47 HD1 LYS 47 -37.778 1.725 -5.844 404 2HD LYS 47 HD2 LYS 47 -36.247 0.930 -6.190 405 1HE LYS 47 HE1 LYS 47 -36.641 2.450 -8.009 406 2HE LYS 47 HE2 LYS 47 -35.394 3.188 -7.011 407 1HZ LYS 47 HZ1 LYS 47 -37.333 4.627 -7.765 408 2HZ LYS 47 HZ2 LYS 47 -36.881 4.708 -6.130 409 3HZ LYS 47 HZ3 LYS 47 -38.246 3.808 -6.590 410 H HIS 48 HN HIS 48 -36.730 1.306 -0.475 411 HA HIS 48 HA HIS 48 -38.036 -1.236 -0.171 412 1HB HIS 48 HB1 HIS 48 -36.700 0.640 1.844 413 2HB HIS 48 HB2 HIS 48 -35.979 -0.772 1.077 414 HD1 HIS 48 HD1 HIS 48 -37.690 -2.970 1.623 415 HD2 HIS 48 HD2 HIS 48 -37.517 0.028 4.398 416 HE1 HIS 48 HE1 HIS 48 -38.496 -3.966 3.706 417 H MET 49 HN MET 49 -38.899 2.030 0.703 418 HA MET 49 HA MET 49 -41.068 1.208 2.475 419 1HB MET 49 HB1 MET 49 -41.703 3.718 2.131 420 2HB MET 49 HB2 MET 49 -40.225 3.835 1.183 421 1HG MET 49 HG1 MET 49 -39.635 4.459 3.397 422 2HG MET 49 HG2 MET 49 -38.990 2.860 3.140 423 1HE MET 49 HE1 MET 49 -38.782 1.855 5.859 424 2HE MET 49 HE2 MET 49 -39.439 3.176 6.824 425 3HE MET 49 HE3 MET 49 -38.460 3.527 5.400 426 H LYS 50 HN LYS 50 -40.714 2.034 -0.910 427 HA LYS 50 HA LYS 50 -43.450 2.442 -1.553 428 1HB LYS 50 HB1 LYS 50 -41.310 1.085 -3.267 429 2HB LYS 50 HB2 LYS 50 -41.479 2.829 -3.100 430 1HG LYS 50 HG1 LYS 50 -43.812 2.660 -3.970 431 2HG LYS 50 HG2 LYS 50 -43.580 0.930 -4.199 432 1HD LYS 50 HD1 LYS 50 -42.953 1.620 -6.305 433 2HD LYS 50 HD2 LYS 50 -41.398 1.822 -5.507 434 1HE LYS 50 HE1 LYS 50 -42.056 4.202 -4.988 435 2HE LYS 50 HE2 LYS 50 -43.495 3.966 -5.972 436 1HZ LYS 50 HZ1 LYS 50 -40.788 3.448 -7.032 437 2HZ LYS 50 HZ2 LYS 50 -41.487 4.995 -7.080 438 3HZ LYS 50 HZ3 LYS 50 -42.231 3.702 -7.891 439 H SER 51 HN SER 51 -41.521 -0.549 -1.650 440 HA SER 51 HA SER 51 -43.394 -2.350 -2.596 441 1HB SER 51 HB1 SER 51 -41.820 -3.056 -0.092 442 2HB SER 51 HB2 SER 51 -40.960 -2.735 -1.612 443 HG SER 51 HG1 SER 51 -42.505 -4.859 -0.910 444 H LYS 52 HN LYS 52 -44.926 -3.748 -1.586 445 HA LYS 52 HA LYS 52 -46.677 -2.355 0.234 446 1HB LYS 52 HB1 LYS 52 -47.779 -4.743 0.290 447 2HB LYS 52 HB2 LYS 52 -46.570 -5.165 -0.917 448 1HG LYS 52 HG1 LYS 52 -47.340 -3.243 -2.314 449 2HG LYS 52 HG2 LYS 52 -48.600 -2.918 -1.130 450 1HD LYS 52 HD1 LYS 52 -49.809 -4.289 -2.536 451 2HD LYS 52 HD2 LYS 52 -49.084 -5.535 -1.526 452 1HE LYS 52 HE1 LYS 52 -47.212 -5.738 -3.153 453 2HE LYS 52 HE2 LYS 52 -47.980 -4.528 -4.171 454 1HZ LYS 52 HZ1 LYS 52 -49.571 -6.843 -3.371 455 2HZ LYS 52 HZ2 LYS 52 -48.361 -7.080 -4.540 456 3HZ LYS 52 HZ3 LYS 52 -49.599 -5.951 -4.816 457 H ALA 53 HN ALA 53 -43.806 -3.500 0.956 458 HA ALA 53 HA ALA 53 -43.953 -5.354 3.016 459 1HB ALA 53 HB1 ALA 53 -41.810 -4.371 2.335 460 2HB ALA 53 HB2 ALA 53 -42.022 -4.038 4.051 461 3HB ALA 53 HB3 ALA 53 -42.321 -2.773 2.865 462 H HIS 54 HN HIS 54 -43.331 -2.167 4.260 463 HA HIS 54 HA HIS 54 -45.909 -2.114 5.685 464 1HB HIS 54 HB1 HIS 54 -44.803 -3.315 7.353 465 2HB HIS 54 HB2 HIS 54 -44.335 -1.688 7.828 466 HD1 HIS 54 HD1 HIS 54 -42.897 -4.805 6.843 467 HD2 HIS 54 HD2 HIS 54 -41.657 -0.911 6.717 468 HE1 HIS 54 HE1 HIS 54 -40.463 -4.901 6.605 469 H SER 55 HN SER 55 -46.247 -0.180 4.558 470 HA SER 55 HA SER 55 -45.157 2.155 5.922 471 1HB SER 55 HB1 SER 55 -44.521 1.652 2.960 472 2HB SER 55 HB2 SER 55 -43.339 1.787 4.278 473 HG SER 55 HG1 SER 55 -45.245 3.802 4.046 474 H LYS 56 HN LYS 56 -47.659 1.650 6.065 475 HA LYS 56 HA LYS 56 -49.448 2.203 3.992 476 1HB LYS 56 HB1 LYS 56 -50.958 3.085 5.840 477 2HB LYS 56 HB2 LYS 56 -49.581 3.020 6.934 478 1HG LYS 56 HG1 LYS 56 -49.395 0.528 6.074 479 2HG LYS 56 HG2 LYS 56 -51.087 0.758 5.650 480 1HD LYS 56 HD1 LYS 56 -49.883 1.214 8.401 481 2HD LYS 56 HD2 LYS 56 -50.871 -0.166 7.935 482 1HE LYS 56 HE1 LYS 56 -52.633 1.613 7.222 483 2HE LYS 56 HE2 LYS 56 -51.692 2.726 8.206 484 1HZ LYS 56 HZ1 LYS 56 -53.152 1.940 9.737 485 2HZ LYS 56 HZ2 LYS 56 -51.903 0.807 9.941 486 3HZ LYS 56 HZ3 LYS 56 -53.273 0.403 9.022 487 H LYS 57 HN LYS 57 -49.228 4.719 6.416 488 HA LYS 57 HA LYS 57 -48.057 6.701 4.725 489 1HB LYS 57 HB1 LYS 57 -51.097 6.769 5.026 490 2HB LYS 57 HB2 LYS 57 -50.248 6.385 3.534 491 1HG LYS 57 HG1 LYS 57 -49.072 8.665 3.823 492 2HG LYS 57 HG2 LYS 57 -50.312 9.018 5.020 493 1HD LYS 57 HD1 LYS 57 -50.789 8.263 2.116 494 2HD LYS 57 HD2 LYS 57 -51.022 9.857 2.825 495 1HE LYS 57 HE1 LYS 57 -53.195 9.008 2.917 496 2HE LYS 57 HE2 LYS 57 -52.590 8.554 4.505 497 1HZ LYS 57 HZ1 LYS 57 -53.708 6.852 2.795 498 2HZ LYS 57 HZ2 LYS 57 -52.590 6.393 3.987 499 3HZ LYS 57 LYS 57 -52.072 6.647 2.390 Start of MODEL 35 Raw file had 499 H/Q atoms Start of MODEL 35 1 1H LYS 1 HT1 LYS 1 -10.993 -6.650 -11.477 2 2H LYS 1 HT2 LYS 1 -11.896 -6.578 -10.041 3 3H LYS 1 HT3 LYS 1 -10.746 -5.375 -10.383 4 HA LYS 1 HA LYS 1 -12.007 -4.519 -12.167 5 1HB LYS 1 HB1 LYS 1 -14.241 -6.476 -11.612 6 2HB LYS 1 HB2 LYS 1 -12.890 -7.020 -12.600 7 1HG LYS 1 HG1 LYS 1 -14.099 -4.355 -13.228 8 2HG LYS 1 HG2 LYS 1 -14.993 -5.796 -13.698 9 1HD LYS 1 HD1 LYS 1 -13.099 -6.625 -14.976 10 2HD LYS 1 HD2 LYS 1 -12.074 -5.325 -14.380 11 1HE LYS 1 HE1 LYS 1 -14.605 -4.855 -15.981 12 2HE LYS 1 HE2 LYS 1 -13.003 -4.940 -16.704 13 1HZ LYS 1 HZ1 LYS 1 -12.349 -3.133 -15.139 14 2HZ LYS 1 HZ2 LYS 1 -13.988 -2.972 -14.725 15 3HZ LYS 1 HZ3 LYS 1 -13.483 -2.680 -16.319 16 OH TYR 2 OH TYR 2 -10.345 0.283 -10.554 17 H TYR 2 HN TYR 2 -14.955 -4.617 -11.587 18 HA TYR 2 HA TYR 2 -15.000 -3.524 -8.823 19 1HB TYR 2 HB1 TYR 2 -16.147 -1.465 -9.633 20 2HB TYR 2 HB2 TYR 2 -15.979 -2.020 -11.297 21 HD1 TYR 2 HD2 TYR 2 -14.035 -1.031 -8.282 22 HD2 TYR 2 HD1 TYR 2 -13.933 -1.693 -12.483 23 HE1 TYR 2 HE2 TYR 2 -11.806 -0.011 -8.390 24 HE2 TYR 2 HE1 TYR 2 -11.699 -0.689 -12.588 25 HH TYR 2 HH TYR 2 -10.217 0.629 -11.440 26 H ILE 3 HN ILE 3 -16.106 -5.908 -9.563 27 HA ILE 3 HA ILE 3 -19.036 -5.318 -9.756 28 HB ILE 3 HB ILE 3 -17.418 -7.824 -10.427 29 1HG1 ILE 3 HG11 ILE 3 -17.811 -5.599 -11.953 30 2HG1 ILE 3 HG12 ILE 3 -19.229 -6.541 -12.394 31 1HG2 ILE 3 HG21 ILE 3 -20.424 -7.267 -10.348 32 2HG2 ILE 3 HG22 ILE 3 -19.557 -8.569 -9.538 33 3HG2 ILE 3 HG23 ILE 3 -19.746 -8.593 -11.288 34 1HD1 ILE 3 HD1 ILE 3 -16.325 -7.386 -12.588 35 2HD1 ILE 3 HD2 ILE 3 -17.477 -7.200 -13.907 36 3HD1 ILE 3 HD3 ILE 3 -17.662 -8.519 -12.755 37 H CYS 4 HN CYS 4 -19.787 -5.210 -7.676 38 HA CYS 4 HA CYS 4 -18.648 -6.445 -5.440 39 1HB CYS 4 HB1 CYS 4 -21.524 -5.760 -6.064 40 2HB CYS 4 HB2 CYS 4 -20.408 -4.857 -5.080 41 H GLU 5 HN GLU 5 -18.289 -8.466 -5.013 42 HA GLU 5 HA GLU 5 -19.318 -10.638 -6.521 43 1HB GLU 5 HB1 GLU 5 -18.369 -12.011 -4.557 44 2HB GLU 5 HB2 GLU 5 -17.969 -10.474 -3.798 45 1HG GLU 5 HG1 GLU 5 -16.001 -10.733 -4.953 46 2HG GLU 5 HG2 GLU 5 -16.939 -10.061 -6.284 47 H GLU 6 HN GLU 6 -20.718 -8.905 -3.923 48 HA GLU 6 HA GLU 6 -22.450 -11.141 -3.164 49 1HB GLU 6 HB1 GLU 6 -22.706 -8.278 -2.192 50 2HB GLU 6 HB2 GLU 6 -21.456 -9.339 -1.556 51 1HG GLU 6 HG1 GLU 6 -23.215 -10.995 -0.936 52 2HG GLU 6 HG2 GLU 6 -24.446 -9.873 -1.509 53 H CYS 7 HN CYS 7 -23.200 -7.745 -3.915 54 HA CYS 7 HA CYS 7 -25.854 -8.481 -4.834 55 1HB CYS 7 HB1 CYS 7 -26.171 -6.154 -5.210 56 2HB CYS 7 HB2 CYS 7 -24.475 -5.871 -5.464 57 H GLY 8 HN GLY 8 -22.905 -7.306 -6.414 58 1HA GLY 8 HA1 GLY 8 -23.924 -8.470 -8.969 59 2HA GLY 8 HA2 GLY 8 -22.223 -8.240 -8.581 60 H ILE 9 HN ILE 9 -23.216 -5.533 -7.377 61 HA ILE 9 HA ILE 9 -24.167 -3.951 -9.518 62 HB ILE 9 HB ILE 9 -23.907 -3.385 -6.967 63 1HG1 ILE 9 HG11 ILE 9 -24.807 -1.850 -8.724 64 2HG1 ILE 9 HG12 ILE 9 -23.174 -1.279 -9.033 65 1HG2 ILE 9 HG21 ILE 9 -21.848 -2.283 -6.333 66 2HG2 ILE 9 HG22 ILE 9 -21.285 -2.180 -7.989 67 3HG2 ILE 9 HG23 ILE 9 -21.327 -3.730 -7.161 68 1HD1 ILE 9 HD1 ILE 9 -24.608 0.114 -7.399 69 2HD1 ILE 9 HD2 ILE 9 -22.988 -0.314 -6.860 70 3HD1 ILE 9 HD3 ILE 9 -24.381 -1.207 -6.259 71 NH1 ARG 10 NH1 ARG 10 -22.635 -5.413 -17.246 72 NH2 ARG 10 NH2 ARG 10 -22.214 -3.508 -18.436 73 H ARG 10 HN ARG 10 -23.216 -3.218 -11.310 74 HA ARG 10 HA ARG 10 -20.274 -3.643 -11.572 75 1HB ARG 10 HB1 ARG 10 -22.229 -3.007 -13.816 76 2HB ARG 10 HB2 ARG 10 -22.030 -4.650 -13.217 77 1HG ARG 10 HG1 ARG 10 -19.543 -4.413 -13.641 78 2HG ARG 10 HG2 ARG 10 -19.884 -2.876 -14.427 79 1HD ARG 10 HD1 ARG 10 -21.181 -5.496 -15.238 80 2HD ARG 10 HD2 ARG 10 -19.744 -4.837 -16.017 81 HE ARG 10 HE ARG 10 -21.601 -2.759 -16.096 82 1HH1 ARG 10 HH11 ARG 10 -22.546 -5.926 -16.393 83 2HH1 ARG 10 HH12 ARG 10 -23.116 -5.817 -18.025 84 1HH2 ARG 10 HH21 ARG 10 -21.811 -2.594 -18.475 85 2HH2 ARG 10 HH22 ARG 10 -22.687 -3.880 -19.235 86 H ABA 11 HN ABU 11 -19.273 -1.841 -10.892 87 HA ABA 11 HA ABU 11 -20.199 0.773 -12.043 88 1HB ABA 11 HB1 ABU 11 -19.030 1.798 -10.101 89 2HB ABA 11 HB2 ABU 11 -18.550 0.215 -9.535 90 1HG ABA 11 HG1 ABU 11 -21.304 1.431 -9.614 91 2HG ABA 11 HG2 ABU 11 -20.490 0.636 -8.270 92 3HG ABA 11 HG3 ABU 11 -21.113 -0.319 -9.612 93 H LYS 12 HN LYS 12 -19.006 1.235 -13.748 94 HA LYS 12 HA LYS 12 -16.408 0.212 -14.260 95 1HB LYS 12 HB1 LYS 12 -16.409 1.788 -16.148 96 2HB LYS 12 HB2 LYS 12 -17.687 2.737 -15.397 97 1HG LYS 12 HG1 LYS 12 -19.203 0.767 -15.525 98 2HG LYS 12 HG2 LYS 12 -17.927 -0.150 -16.316 99 1HD LYS 12 HD1 LYS 12 -17.960 1.276 -18.235 100 2HD LYS 12 HD2 LYS 12 -18.925 2.492 -17.404 101 1HE LYS 12 HE1 LYS 12 -19.840 -0.310 -18.138 102 2HE LYS 12 HE2 LYS 12 -20.341 1.177 -18.933 103 1HZ LYS 12 HZ1 LYS 12 -22.028 1.031 -17.487 104 2HZ LYS 12 HZ2 LYS 12 -20.930 1.752 -16.410 105 3HZ LYS 12 HZ3 LYS 12 -21.164 0.070 -16.384 106 H LYS 13 HN LYS 13 -17.037 2.109 -11.773 107 HA LYS 13 HA LYS 13 -14.395 3.432 -11.988 108 1HB LYS 13 HB1 LYS 13 -15.599 5.440 -10.767 109 2HB LYS 13 HB2 LYS 13 -17.073 4.713 -11.402 110 1HG LYS 13 HG1 LYS 13 -16.168 4.841 -13.692 111 2HG LYS 13 HG2 LYS 13 -14.664 5.515 -13.074 112 1HD LYS 13 HD1 LYS 13 -15.569 7.590 -12.798 113 2HD LYS 13 HD2 LYS 13 -17.078 6.946 -12.163 114 1HE LYS 13 HE1 LYS 13 -17.161 8.137 -14.464 115 2HE LYS 13 HE2 LYS 13 -17.970 6.581 -14.326 116 1HZ LYS 13 HZ1 LYS 13 -16.078 7.250 -16.159 117 2HZ LYS 13 HZ2 LYS 13 -16.595 5.675 -15.788 118 3HZ LYS 13 HZ3 LYS 13 -15.216 6.315 -15.033 119 HA PRO 14 HA PRO 14 -13.851 1.955 -7.837 120 1HB PRO 14 HB1 PRO 14 -11.679 2.697 -7.568 121 2HB PRO 14 HB2 PRO 14 -12.333 4.161 -6.834 122 1HG PRO 14 HG1 PRO 14 -10.919 4.031 -9.279 123 2HG PRO 14 HG2 PRO 14 -11.868 5.407 -8.714 124 1HD PRO 14 HD1 PRO 14 -13.287 5.028 -10.476 125 2HD PRO 14 HD2 PRO 14 -12.486 3.486 -10.834 126 H SER 15 HN SER 15 -13.855 5.493 -7.460 127 HA SER 15 HA SER 15 -15.026 5.884 -5.064 128 1HB SER 15 HB1 SER 15 -14.568 7.659 -6.893 129 2HB SER 15 HB2 SER 15 -16.049 7.946 -5.959 130 HG SER 15 HG1 SER 15 -17.148 7.598 -7.707 131 H MET 16 HN MET 16 -16.857 4.953 -7.946 132 HA MET 16 HA MET 16 -19.398 4.936 -6.583 133 1HB MET 16 HB1 MET 16 -19.945 3.366 -8.637 134 2HB MET 16 HB2 MET 16 -18.318 3.781 -9.170 135 1HG MET 16 HG1 MET 16 -18.864 6.163 -9.034 136 2HG MET 16 HG2 MET 16 -19.907 5.326 -10.152 137 1HE MET 16 HE1 MET 16 -22.298 5.618 -10.305 138 2HE MET 16 HE2 MET 16 -21.471 7.170 -10.437 139 3HE MET 16 HE3 MET 16 -22.974 7.047 -9.522 140 H LEU 17 HN LEU 17 -17.081 2.356 -7.457 141 HA LEU 17 HA LEU 17 -18.653 0.312 -6.136 142 1HB LEU 17 HB1 LEU 17 -15.666 0.141 -6.685 143 2HB LEU 17 HB2 LEU 17 -16.811 0.062 -8.003 144 HG LEU 17 HG LEU 17 -16.115 -2.207 -7.170 145 1HD1 LEU 17 HD11 LEU 17 -17.723 -1.619 -4.678 146 2HD1 LEU 17 HD12 LEU 17 -15.977 -1.412 -4.739 147 3HD1 LEU 17 HD13 LEU 17 -16.687 -2.996 -5.010 148 1HD2 LEU 17 HD21 LEU 17 -19.041 -1.928 -6.494 149 2HD2 LEU 17 HD22 LEU 17 -18.222 -3.187 -7.404 150 3HD2 LEU 17 HD23 LEU 17 -18.488 -1.612 -8.127 151 H LYS 18 HN LYS 18 -15.460 1.724 -5.391 152 HA LYS 18 HA LYS 18 -14.891 0.719 -2.938 153 1HB LYS 18 HB1 LYS 18 -13.990 3.026 -2.319 154 2HB LYS 18 HB2 LYS 18 -14.803 3.667 -3.741 155 1HG LYS 18 HG1 LYS 18 -13.366 2.569 -5.224 156 2HG LYS 18 HG2 LYS 18 -12.979 1.302 -4.079 157 1HD LYS 18 HD1 LYS 18 -11.038 2.755 -4.333 158 2HD LYS 18 HD2 LYS 18 -11.697 2.965 -2.718 159 1HE LYS 18 HE1 LYS 18 -12.959 4.782 -4.624 160 2HE LYS 18 HE2 LYS 18 -11.214 4.994 -4.595 161 1HZ LYS 18 HZ1 LYS 18 -13.131 5.782 -2.678 162 2HZ LYS 18 HZ2 LYS 18 -11.471 6.137 -2.741 163 3HZ LYS 18 HZ3 LYS 18 -12.010 4.727 -1.961 164 H LYS 19 HN LYS 19 -17.228 3.345 -3.462 165 HA LYS 19 HA LYS 19 -17.910 3.525 -0.685 166 1HB LYS 19 HB1 LYS 19 -20.042 4.647 -1.713 167 2HB LYS 19 HB2 LYS 19 -19.260 4.400 -3.269 168 1HG LYS 19 HG1 LYS 19 -17.386 5.777 -2.641 169 2HG LYS 19 HG2 LYS 19 -17.908 5.832 -0.960 170 1HD LYS 19 HD1 LYS 19 -19.761 7.223 -1.456 171 2HD LYS 19 HD2 LYS 19 -19.694 6.847 -3.173 172 1HE LYS 19 HE1 LYS 19 -17.218 8.043 -2.090 173 2HE LYS 19 HE2 LYS 19 -18.618 9.106 -2.044 174 1HZ LYS 19 HZ1 LYS 19 -17.797 7.614 -4.465 175 2HZ LYS 19 HZ2 LYS 19 -17.279 9.194 -4.124 176 3HZ LYS 19 HZ3 LYS 19 -18.930 8.874 -4.355 177 H HIS 20 HN HIS 20 -19.258 1.806 -3.448 178 HA HIS 20 HA HIS 20 -21.583 0.792 -2.173 179 1HB HIS 20 HB1 HIS 20 -19.844 -0.465 -4.338 180 2HB HIS 20 HB2 HIS 20 -21.213 0.602 -4.628 181 HD1 HIS 20 HD1 HIS 20 -23.342 -0.675 -4.858 182 HD2 HIS 20 HD2 HIS 20 -20.551 -2.905 -2.917 183 HE1 HIS 20 HE1 HIS 20 -24.385 -2.862 -4.503 184 H ILE 21 HN ILE 21 -18.389 -0.757 -2.623 185 HA ILE 21 HA ILE 21 -19.028 -3.091 -1.162 186 HB ILE 21 HB ILE 21 -16.815 -2.336 -2.530 187 1HG1 ILE 21 HG11 ILE 21 -16.867 -4.272 -0.182 188 2HG1 ILE 21 HG12 ILE 21 -15.593 -4.226 -1.391 189 1HG2 ILE 21 HG21 ILE 21 -14.972 -1.750 -1.092 190 2HG2 ILE 21 HG22 ILE 21 -15.867 -2.155 0.367 191 3HG2 ILE 21 HG23 ILE 21 -16.278 -0.720 -0.551 192 1HD1 ILE 21 HD1 ILE 21 -18.240 -5.432 -1.562 193 2HD1 ILE 21 HD2 ILE 21 -16.859 -5.635 -2.635 194 3HD1 ILE 21 HD3 ILE 21 -17.979 -4.300 -2.883 195 NH1 ARG 22 NH2 ARG 22 -16.803 5.457 3.028 196 NH2 ARG 22 NH1 ARG 22 -14.837 5.147 4.150 197 H ARG 22 HN ARG 22 -18.180 0.117 -0.076 198 HA ARG 22 HA ARG 22 -17.740 -0.709 2.696 199 1HB ARG 22 HB1 ARG 22 -18.095 1.883 3.010 200 2HB ARG 22 HB2 ARG 22 -18.122 1.942 1.252 201 1HG ARG 22 HG1 ARG 22 -15.915 0.813 1.187 202 2HG ARG 22 HG2 ARG 22 -15.885 0.784 2.946 203 1HD ARG 22 HD1 ARG 22 -16.115 3.321 1.291 204 2HD ARG 22 HD2 ARG 22 -14.606 2.718 1.973 205 HE ARG 22 HE ARG 22 -16.328 2.842 4.149 206 1HH1 ARG 22 HH21 ARG 22 -17.592 5.061 2.555 207 2HH1 ARG 22 HH22 ARG 22 -16.720 6.449 3.117 208 1HH2 ARG 22 HH11 ARG 22 -14.152 4.519 4.519 209 2HH2 ARG 22 HH12 ARG 22 -14.721 6.135 4.259 210 H THR 23 HN THR 23 -20.485 -0.134 0.740 211 HA THR 23 HA THR 23 -22.237 0.718 2.887 212 HB THR 23 HB THR 23 -22.909 -0.617 0.191 213 HG1 THR 23 HG1 THR 23 -22.216 1.916 1.127 214 1HG2 THR 23 HG21 THR 23 -24.960 1.081 0.723 215 2HG2 THR 23 HG22 THR 23 -24.515 0.727 2.389 216 3HG2 THR 23 HG23 THR 23 -25.011 -0.576 1.314 217 H HIS 24 HN HIS 24 -20.776 -2.242 2.197 218 HA HIS 24 HA HIS 24 -23.010 -3.853 3.298 219 1HB HIS 24 HB1 HIS 24 -21.162 -5.711 3.060 220 2HB HIS 24 HB2 HIS 24 -20.240 -4.486 2.196 221 HD1 HIS 24 HD1 HIS 24 -23.631 -6.083 1.923 222 HD2 HIS 24 HD2 HIS 24 -20.858 -4.280 -0.463 223 HE1 HIS 24 HE1 HIS 24 -24.467 -6.346 -0.386 224 H THR 25 HN THR 25 -20.984 -1.824 4.697 225 HA THR 25 HA THR 25 -20.107 -3.630 6.884 226 HB THR 25 HB THR 25 -18.975 -1.397 7.645 227 HG1 THR 25 HG1 THR 25 -19.039 -0.200 5.382 228 1HG2 THR 25 HG21 THR 25 -18.326 -2.005 4.739 229 2HG2 THR 25 HG22 THR 25 -17.927 -3.193 5.976 230 3HG2 THR 25 HG23 THR 25 -17.202 -1.589 6.028 231 H ASP 26 HN ASP 26 -20.723 -0.341 7.577 232 HA ASP 26 HA ASP 26 -23.395 -0.787 8.661 233 1HB ASP 26 HB1 ASP 26 -22.728 -0.347 11.020 234 2HB ASP 26 HB2 ASP 26 -21.040 -0.220 10.532 235 H VAL 27 HN VAL 27 -21.944 0.932 6.840 236 HA VAL 27 HA VAL 27 -22.199 3.577 8.172 237 HB VAL 27 HB VAL 27 -20.100 3.123 6.962 238 1HG1 VAL 27 HG11 VAL 27 -20.117 2.648 4.541 239 2HG1 VAL 27 HG12 VAL 27 -21.877 2.632 4.557 240 3HG1 VAL 27 HG13 VAL 27 -20.978 1.403 5.434 241 1HG2 VAL 27 HG21 VAL 27 -20.019 5.234 6.128 242 2HG2 VAL 27 HG22 VAL 27 -21.724 5.344 6.553 243 3HG2 VAL 27 HG23 VAL 27 -21.252 4.883 4.922 244 NH1 ARG 28 NH1 ARG 28 -27.580 -2.377 3.670 245 NH2 ARG 28 NH2 ARG 28 -27.272 -1.821 1.475 246 H ARG 28 HN ARG 28 -24.573 2.328 7.744 247 HA ARG 28 HA ARG 28 -25.761 3.782 5.414 248 1HB ARG 28 HB1 ARG 28 -27.575 1.961 5.677 249 2HB ARG 28 HB2 ARG 28 -26.458 1.155 6.771 250 1HG ARG 28 HG1 ARG 28 -24.733 1.258 4.915 251 2HG ARG 28 HG2 ARG 28 -26.018 1.794 3.847 252 1HD ARG 28 HD1 ARG 28 -27.099 -0.429 5.163 253 2HD ARG 28 HD2 ARG 28 -25.437 -0.894 4.807 254 HE ARG 28 HE ARG 28 -26.432 0.271 2.451 255 1HH1 ARG 28 HH11 ARG 28 -27.477 -2.140 4.636 256 2HH1 ARG 28 HH12 ARG 28 -28.006 -3.243 3.410 257 1HH2 ARG 28 HH21 ARG 28 -26.937 -1.166 0.796 258 2HH2 ARG 28 HH22 ARG 28 -27.694 -2.677 1.179 259 HA PRO 29 HA PRO 29 -27.483 5.614 9.314 260 1HB PRO 29 HB1 PRO 29 -26.763 7.783 9.157 261 2HB PRO 29 HB2 PRO 29 -27.894 8.081 7.838 262 1HG PRO 29 HG1 PRO 29 -25.007 7.717 7.681 263 2HG PRO 29 HG2 PRO 29 -26.123 8.143 6.383 264 1HD PRO 29 HD1 PRO 29 -26.070 6.021 5.563 265 2HD PRO 29 HD2 PRO 29 -24.800 5.639 6.741 266 OH TYR 30 OH TYR 30 -29.118 10.712 3.133 267 H TYR 30 HN TYR 30 -28.712 5.262 6.106 268 HA TYR 30 HA TYR 30 -31.380 6.291 6.826 269 1HB TYR 30 HB1 TYR 30 -31.970 5.469 4.505 270 2HB TYR 30 HB2 TYR 30 -30.345 4.825 4.350 271 HD1 TYR 30 HD1 TYR 30 -32.088 8.017 5.234 272 HD2 TYR 30 HD2 TYR 30 -28.698 6.214 3.404 273 HE1 TYR 30 HE1 TYR 30 -31.309 10.220 4.499 274 HE2 TYR 30 HE2 TYR 30 -27.914 8.420 2.681 275 HH TYR 30 HH TYR 30 -29.875 11.199 2.801 276 H HIS 31 HN HIS 31 -31.930 4.899 8.567 277 HA HIS 31 HA HIS 31 -32.202 2.008 7.949 278 1HB HIS 31 HB1 HIS 31 -32.651 1.763 10.346 279 2HB HIS 31 HB2 HIS 31 -32.889 3.498 10.526 280 HD1 HIS 31 HD1 HIS 31 -30.208 1.050 10.052 281 HD2 HIS 31 HD2 HIS 31 -30.548 5.047 10.658 282 HE1 HIS 31 HE1 HIS 31 -27.954 1.798 10.551 283 H CYS 32 HN CYS 32 -34.147 0.928 7.837 284 HA CYS 32 HA CYS 32 -36.438 2.384 6.956 285 1HB CYS 32 HB1 CYS 32 -35.918 -0.445 7.892 286 2HB CYS 32 HB2 CYS 32 -36.309 0.106 6.286 287 H THR 33 HN THR 33 -38.491 2.639 7.992 288 HA THR 33 HA THR 33 -38.197 3.318 10.829 289 HB THR 33 HB THR 33 -40.727 3.440 9.080 290 HG1 THR 33 HG1 THR 33 -39.248 5.691 9.519 291 1HG2 THR 33 HG21 THR 33 -41.069 5.503 10.605 292 2HG2 THR 33 HG22 THR 33 -39.724 4.919 11.578 293 3HG2 THR 33 HG23 THR 33 -41.200 3.969 11.455 294 OH TYR 34 OH TYR 34 -44.786 2.610 8.859 295 H TYR 34 HN TYR 34 -38.394 0.469 9.591 296 HA TYR 34 HA TYR 34 -40.129 -0.571 11.765 297 1HB TYR 34 HB1 TYR 34 -41.203 -2.175 10.196 298 2HB TYR 34 HB2 TYR 34 -40.267 -1.523 8.858 299 HD1 TYR 34 HD2 TYR 34 -40.663 0.883 8.150 300 HD2 TYR 34 HD1 TYR 34 -43.208 -1.094 10.925 301 HE1 TYR 34 HE2 TYR 34 -42.416 2.547 7.730 302 HE2 TYR 34 HE1 TYR 34 -44.959 0.569 10.502 303 HH TYR 34 HH TYR 34 -44.685 3.313 9.506 304 H CYS 35 HN CYS 35 -38.358 -1.878 8.973 305 HA CYS 35 HA CYS 35 -37.355 -4.155 10.386 306 1HB CYS 35 HB1 CYS 35 -35.876 -4.434 8.462 307 2HB CYS 35 HB2 CYS 35 -36.063 -2.766 8.014 308 H ASN 36 HN ASN 36 -34.732 -4.306 9.851 309 HA ASN 36 HA ASN 36 -33.513 -2.181 11.566 310 1HB ASN 36 HB1 ASN 36 -32.591 -5.086 11.342 311 2HB ASN 36 HB2 ASN 36 -33.753 -4.569 12.561 312 1HD2 ASN 36 HD21 ASN 36 -31.735 -1.961 11.969 313 2HD2 ASN 36 HD22 ASN 36 -30.602 -2.210 13.209 314 H PHE 37 HN PHE 37 -33.766 -3.200 8.539 315 HA PHE 37 HA PHE 37 -30.943 -3.295 7.778 316 1HB PHE 37 HB1 PHE 37 -33.182 -2.798 5.812 317 2HB PHE 37 HB2 PHE 37 -33.113 -4.363 6.620 318 HD1 PHE 37 HD2 PHE 37 -30.923 -5.689 6.485 319 HD2 PHE 37 HD1 PHE 37 -31.701 -2.301 4.026 320 HE1 PHE 37 HE2 PHE 37 -29.149 -6.399 4.943 321 HE2 PHE 37 HE1 PHE 37 -29.924 -3.014 2.487 322 HZ PHE 37 HZ PHE 37 -28.647 -5.063 2.945 323 H SER 38 HN SER 38 -30.194 -1.775 6.020 324 HA SER 38 HA SER 38 -31.448 0.865 6.061 325 1HB SER 38 HB1 SER 38 -28.620 0.492 7.159 326 2HB SER 38 HB2 SER 38 -30.045 0.776 8.171 327 HG SER 38 HG1 SER 38 -29.409 2.790 7.723 328 H PHE 39 HN PHE 39 -30.081 2.452 4.789 329 HA PHE 39 HA PHE 39 -28.489 1.053 2.694 330 1HB PHE 39 HB1 PHE 39 -29.787 2.110 0.968 331 2HB PHE 39 HB2 PHE 39 -30.512 3.242 2.112 332 HD1 PHE 39 HD2 PHE 39 -32.080 2.343 3.891 333 HD2 PHE 39 HD1 PHE 39 -30.769 -0.058 0.624 334 HE1 PHE 39 HE2 PHE 39 -33.858 0.720 4.369 335 HE2 PHE 39 HE1 PHE 39 -32.557 -1.674 1.105 336 HZ PHE 39 HZ PHE 39 -34.094 -1.291 2.985 337 H LYS 40 HN LYS 40 -27.083 2.447 1.497 338 HA LYS 40 HA LYS 40 -25.915 4.520 3.192 339 1HB LYS 40 HB1 LYS 40 -25.253 3.413 0.424 340 2HB LYS 40 HB2 LYS 40 -24.444 3.024 1.927 341 1HG LYS 40 HG1 LYS 40 -24.409 5.732 0.537 342 2HG LYS 40 HG2 LYS 40 -23.073 4.601 0.649 343 1HD LYS 40 HD1 LYS 40 -23.585 4.798 3.257 344 2HD LYS 40 HD2 LYS 40 -24.231 6.359 2.770 345 1HE LYS 40 HE1 LYS 40 -21.422 5.307 2.379 346 2HE LYS 40 HE2 LYS 40 -21.923 6.748 3.253 347 1HZ LYS 40 HZ1 LYS 40 -22.366 7.880 1.308 348 2HZ LYS 40 HZ2 LYS 40 -22.483 6.465 0.375 349 3HZ LYS 40 HZ3 LYS 40 -20.966 7.004 0.913 350 H THR 41 HN THR 41 -28.241 4.428 0.697 351 HA THR 41 HA THR 41 -27.995 7.398 0.377 352 HB THR 41 HB THR 41 -28.602 7.170 -1.968 353 HG1 THR 41 HG1 THR 41 -30.119 5.720 -2.182 354 1HG2 THR 41 HG21 THR 41 -26.273 6.113 -1.340 355 2HG2 THR 41 HG22 THR 41 -26.980 5.571 -2.859 356 3HG2 THR 41 HG23 THR 41 -27.095 4.557 -1.423 357 H LYS 42 HN LYS 42 -29.950 8.533 -0.014 358 HA LYS 42 HA LYS 42 -32.123 7.552 1.614 359 1HB LYS 42 HB1 LYS 42 -32.241 9.963 -0.228 360 2HB LYS 42 HB2 LYS 42 -31.301 10.016 1.259 361 1HG LYS 42 HG1 LYS 42 -33.176 9.929 2.611 362 2HG LYS 42 HG2 LYS 42 -34.099 8.982 1.450 363 1HD LYS 42 HD1 LYS 42 -34.986 11.287 1.613 364 2HD LYS 42 HD2 LYS 42 -34.339 10.977 0.007 365 1HE LYS 42 HE1 LYS 42 -32.338 12.203 0.467 366 2HE LYS 42 HE2 LYS 42 -32.663 12.228 2.196 367 1HZ LYS 42 HZ1 LYS 42 -34.082 13.707 0.062 368 2HZ LYS 42 HZ2 LYS 42 -33.220 14.341 1.381 369 3HZ LYS 42 HZ3 LYS 42 -34.701 13.550 1.635 370 H GLY 43 HN GLY 43 -31.299 7.338 -1.677 371 1HA GLY 43 HA1 GLY 43 -32.506 6.612 -3.562 372 2HA GLY 43 HA2 GLY 43 -33.963 7.227 -2.788 373 H ASN 44 HN ASN 44 -31.635 4.553 -2.504 374 HA ASN 44 HA ASN 44 -33.387 2.442 -2.833 375 1HB ASN 44 HB1 ASN 44 -31.788 1.251 -1.100 376 2HB ASN 44 HB2 ASN 44 -30.925 2.788 -1.086 377 1HD2 ASN 44 HD21 ASN 44 -29.252 2.831 -2.565 378 2HD2 ASN 44 HD22 ASN 44 -29.228 2.009 -4.050 379 H LEU 45 HN LEU 45 -32.949 4.436 0.007 380 HA LEU 45 HA LEU 45 -34.350 2.796 1.860 381 1HB LEU 45 HB1 LEU 45 -34.064 5.842 1.657 382 2HB LEU 45 HB2 LEU 45 -33.026 4.764 2.561 383 HG LEU 45 HG LEU 45 -34.453 5.705 4.210 384 1HD1 LEU 45 HD11 LEU 45 -36.227 6.254 2.175 385 2HD1 LEU 45 HD12 LEU 45 -36.585 6.447 3.882 386 3HD1 LEU 45 HD13 LEU 45 -37.080 4.990 3.038 387 1HD2 LEU 45 HD21 LEU 45 -35.603 3.821 5.121 388 2HD2 LEU 45 HD22 LEU 45 -34.265 3.156 4.192 389 3HD2 LEU 45 HD23 LEU 45 -35.895 3.123 3.534 390 H THR 46 HN THR 46 -35.503 5.511 -0.128 391 HA THR 46 HA THR 46 -38.245 5.266 0.631 392 HB THR 46 HB THR 46 -37.049 6.296 -2.016 393 HG1 THR 46 HG1 THR 46 -36.454 7.066 0.260 394 1HG2 THR 46 HG21 THR 46 -39.491 6.236 -2.225 395 2HG2 THR 46 HG22 THR 46 -39.119 7.875 -1.700 396 3HG2 THR 46 HG23 THR 46 -39.707 6.691 -0.537 397 H LYS 47 HN LYS 47 -36.317 3.678 -1.834 398 HA LYS 47 HA LYS 47 -38.489 2.527 -3.298 399 1HB LYS 47 HB1 LYS 47 -35.923 0.991 -2.965 400 2HB LYS 47 HB2 LYS 47 -35.801 2.603 -3.662 401 1HG LYS 47 HG1 LYS 47 -37.916 0.746 -4.706 402 2HG LYS 47 HG2 LYS 47 -36.250 0.497 -5.216 403 1HD LYS 47 HD1 LYS 47 -36.102 2.713 -6.128 404 2HD LYS 47 HD2 LYS 47 -37.611 3.200 -5.364 405 1HE LYS 47 HE1 LYS 47 -38.015 2.731 -7.734 406 2HE LYS 47 HE2 LYS 47 -38.821 1.514 -6.752 407 1HZ LYS 47 HZ1 LYS 47 -36.116 1.125 -7.887 408 2HZ LYS 47 HZ2 LYS 47 -37.534 0.662 -8.699 409 3HZ LYS 47 HZ3 LYS 47 -37.140 -0.046 -7.206 410 H HIS 48 HN HIS 48 -36.836 1.560 -0.359 411 HA HIS 48 HA HIS 48 -38.046 -1.090 -0.313 412 1HB HIS 48 HB1 HIS 48 -36.543 0.604 1.730 413 2HB HIS 48 HB2 HIS 48 -35.976 -0.843 0.904 414 HD1 HIS 48 HD1 HIS 48 -37.525 -3.005 1.581 415 HD2 HIS 48 HD2 HIS 48 -37.591 0.106 4.231 416 HE1 HIS 48 HE1 HIS 48 -38.359 -3.954 3.677 417 H MET 49 HN MET 49 -38.807 2.070 1.010 418 HA MET 49 HA MET 49 -40.901 1.107 2.767 419 1HB MET 49 HB1 MET 49 -41.562 3.575 2.764 420 2HB MET 49 HB2 MET 49 -40.306 3.854 1.564 421 1HG MET 49 HG1 MET 49 -38.598 3.080 3.080 422 2HG MET 49 HG2 MET 49 -39.789 2.555 4.239 423 1HE MET 49 HE1 MET 49 -40.127 3.987 6.479 424 2HE MET 49 HE2 MET 49 -41.424 3.967 5.285 425 3HE MET 49 HE3 MET 49 -40.986 5.476 6.087 426 H LYS 50 HN LYS 50 -40.746 2.168 -0.567 427 HA LYS 50 HA LYS 50 -43.542 2.526 -1.002 428 1HB LYS 50 HB1 LYS 50 -41.755 1.345 -3.138 429 2HB LYS 50 HB2 LYS 50 -41.389 2.960 -2.539 430 1HG LYS 50 HG1 LYS 50 -43.732 3.651 -3.044 431 2HG LYS 50 HG2 LYS 50 -44.044 2.047 -3.701 432 1HD LYS 50 HD1 LYS 50 -43.439 3.126 -5.656 433 2HD LYS 50 HD2 LYS 50 -41.843 2.619 -5.118 434 1HE LYS 50 HE1 LYS 50 -41.810 5.004 -5.718 435 2HE LYS 50 HE2 LYS 50 -41.542 4.813 -3.990 436 1HZ LYS 50 HZ1 LYS 50 -43.505 6.307 -5.242 437 2HZ LYS 50 HZ2 LYS 50 -43.321 6.025 -3.577 438 3HZ LYS 50 HZ3 LYS 50 -44.305 5.001 -4.509 439 H SER 51 HN SER 51 -41.474 -0.337 -1.260 440 HA SER 51 HA SER 51 -43.184 -2.175 -2.426 441 1HB SER 51 HB1 SER 51 -41.298 -2.481 -0.035 442 2HB SER 51 HB2 SER 51 -41.003 -2.959 -1.719 443 HG SER 51 HG1 SER 51 -43.213 -4.117 -1.162 444 H LYS 52 HN LYS 52 -44.671 -3.734 -1.566 445 HA LYS 52 HA LYS 52 -46.602 -2.522 0.221 446 1HB LYS 52 HB1 LYS 52 -47.289 -4.054 -1.609 447 2HB LYS 52 HB2 LYS 52 -47.793 -4.724 -0.061 448 1HG LYS 52 HG1 LYS 52 -45.871 -6.220 -0.023 449 2HG LYS 52 HG2 LYS 52 -45.207 -5.465 -1.467 450 1HD LYS 52 HD1 LYS 52 -46.357 -7.572 -2.046 451 2HD LYS 52 HD2 LYS 52 -47.193 -6.197 -2.760 452 1HE LYS 52 HE1 LYS 52 -48.029 -7.121 -0.030 453 2HE LYS 52 HE2 LYS 52 -48.546 -8.055 -1.427 454 1HZ LYS 52 HZ1 LYS 52 -50.192 -6.591 -1.546 455 2HZ LYS 52 HZ2 LYS 52 -49.047 -5.510 -2.180 456 3HZ LYS 52 HZ3 LYS 52 -49.420 -5.477 -0.523 457 H ALA 53 HN ALA 53 -43.725 -3.737 0.972 458 HA ALA 53 HA ALA 53 -43.991 -5.708 2.912 459 1HB ALA 53 HB1 ALA 53 -42.300 -3.160 3.000 460 2HB ALA 53 HB2 ALA 53 -41.806 -4.718 2.347 461 3HB ALA 53 HB3 ALA 53 -42.060 -4.532 4.078 462 H HIS 54 HN HIS 54 -43.460 -2.499 4.223 463 HA HIS 54 HA HIS 54 -45.999 -2.667 5.732 464 1HB HIS 54 HB1 HIS 54 -44.703 -3.605 7.416 465 2HB HIS 54 HB2 HIS 54 -44.365 -1.911 7.754 466 HD1 HIS 54 HD1 HIS 54 -42.772 -4.940 6.545 467 HD2 HIS 54 HD2 HIS 54 -41.759 -0.987 6.796 468 HE1 HIS 54 HE1 HIS 54 -40.349 -4.868 6.253 469 H SER 55 HN SER 55 -46.608 -0.885 4.483 470 HA SER 55 HA SER 55 -45.676 1.664 5.631 471 1HB SER 55 HB1 SER 55 -44.198 1.723 3.758 472 2HB SER 55 HB2 SER 55 -45.641 2.473 3.046 473 HG SER 55 HG1 SER 55 -44.692 -0.164 2.832 474 H LYS 56 HN LYS 56 -47.861 -0.097 3.522 475 HA LYS 56 HA LYS 56 -50.005 1.843 4.257 476 1HB LYS 56 HB1 LYS 56 -50.863 1.414 1.824 477 2HB LYS 56 HB2 LYS 56 -49.245 0.808 1.493 478 1HG LYS 56 HG1 LYS 56 -48.554 3.107 2.681 479 2HG LYS 56 HG2 LYS 56 -50.141 3.595 2.104 480 1HD LYS 56 HD1 LYS 56 -49.384 2.558 -0.165 481 2HD LYS 56 HD2 LYS 56 -47.759 2.671 0.500 482 1HE LYS 56 HE1 LYS 56 -49.671 4.869 -0.216 483 2HE LYS 56 HE2 LYS 56 -47.945 4.752 -0.532 484 1HZ LYS 56 HZ1 LYS 56 -48.749 6.361 1.257 485 2HZ LYS 56 HZ2 LYS 56 -47.422 5.365 1.618 486 3HZ LYS 56 HZ3 LYS 56 -48.961 4.982 2.224 487 H LYS 57 HN LYS 57 -49.552 -0.597 5.503 488 HA LYS 57 HA LYS 57 -50.884 -2.830 4.453 489 1HB LYS 57 HB1 LYS 57 -49.632 -2.987 6.548 490 2HB LYS 57 HB2 LYS 57 -51.304 -3.402 6.909 491 1HG LYS 57 HG1 LYS 57 -51.694 -1.024 7.605 492 2HG LYS 57 HG2 LYS 57 -49.982 -0.703 7.353 493 1HD LYS 57 HD1 LYS 57 -49.343 -2.224 9.090 494 2HD LYS 57 HD2 LYS 57 -50.960 -2.915 9.177 495 1HE LYS 57 HE1 LYS 57 -51.856 -0.792 10.017 496 2HE LYS 57 HE2 LYS 57 -50.280 -0.032 9.845 497 1HZ LYS 57 HZ1 LYS 57 -50.920 -0.849 12.130 498 2HZ LYS 57 HZ2 LYS 57 -49.392 -1.319 11.555 499 3HZ LYS 57 LYS 57 -50.683 -2.422 11.534 Start of MODEL 36 Raw file had 499 H/Q atoms Start of MODEL 36 1 1H LYS 1 HT1 LYS 1 -9.415 -6.979 -9.822 2 2H LYS 1 HT2 LYS 1 -11.054 -6.550 -9.701 3 3H LYS 1 HT3 LYS 1 -10.098 -6.655 -8.301 4 HA LYS 1 HA LYS 1 -8.697 -4.836 -9.158 5 1HB LYS 1 HB1 LYS 1 -9.054 -4.054 -11.279 6 2HB LYS 1 HB2 LYS 1 -10.760 -3.787 -10.941 7 1HG LYS 1 HG1 LYS 1 -11.266 -6.129 -11.439 8 2HG LYS 1 HG2 LYS 1 -9.555 -6.483 -11.656 9 1HD LYS 1 HD1 LYS 1 -9.428 -5.073 -13.605 10 2HD LYS 1 HD2 LYS 1 -11.031 -4.410 -13.304 11 1HE LYS 1 HE1 LYS 1 -10.954 -6.205 -15.095 12 2HE LYS 1 HE2 LYS 1 -12.081 -6.530 -13.783 13 1HZ LYS 1 HZ1 LYS 1 -9.418 -7.723 -14.240 14 2HZ LYS 1 HZ2 LYS 1 -10.920 -8.506 -14.107 15 3HZ LYS 1 HZ3 LYS 1 -10.197 -7.815 -12.734 16 OH TYR 2 OH TYR 2 -7.419 0.199 -7.792 17 H TYR 2 HN TYR 2 -12.227 -4.540 -9.606 18 HA TYR 2 HA TYR 2 -12.493 -3.345 -6.941 19 1HB TYR 2 HB1 TYR 2 -13.386 -1.185 -7.832 20 2HB TYR 2 HB2 TYR 2 -12.997 -1.706 -9.471 21 HD1 TYR 2 HD2 TYR 2 -11.497 -0.913 -6.165 22 HD2 TYR 2 HD1 TYR 2 -10.768 -1.515 -10.310 23 HE1 TYR 2 HE2 TYR 2 -9.220 -0.038 -5.892 24 HE2 TYR 2 HE1 TYR 2 -8.490 -0.651 -10.036 25 HH TYR 2 HH TYR 2 -7.369 1.046 -8.241 26 H ILE 3 HN ILE 3 -13.658 -5.607 -7.937 27 HA ILE 3 HA ILE 3 -16.488 -4.780 -8.443 28 HB ILE 3 HB ILE 3 -14.853 -7.213 -9.245 29 1HG1 ILE 3 HG11 ILE 3 -15.315 -4.970 -10.613 30 2HG1 ILE 3 HG12 ILE 3 -16.831 -5.784 -10.986 31 1HG2 ILE 3 HG21 ILE 3 -17.851 -6.913 -8.865 32 2HG2 ILE 3 HG22 ILE 3 -16.830 -8.291 -8.469 33 3HG2 ILE 3 HG23 ILE 3 -17.246 -7.957 -10.146 34 1HD1 ILE 3 HD1 ILE 3 -15.206 -6.380 -12.698 35 2HD1 ILE 3 HD2 ILE 3 -15.494 -7.800 -11.698 36 3HD1 ILE 3 HD3 ILE 3 -14.029 -6.849 -11.475 37 H CYS 4 HN CYS 4 -17.448 -4.752 -6.431 38 HA CYS 4 HA CYS 4 -16.658 -6.284 -4.220 39 1HB CYS 4 HB1 CYS 4 -19.431 -5.332 -4.995 40 2HB CYS 4 HB2 CYS 4 -18.305 -4.511 -3.952 41 H GLU 5 HN GLU 5 -16.352 -8.369 -4.233 42 HA GLU 5 HA GLU 5 -17.587 -10.243 -5.935 43 1HB GLU 5 HB1 GLU 5 -16.701 -11.946 -4.343 44 2HB GLU 5 HB2 GLU 5 -16.452 -10.691 -3.135 45 1HG GLU 5 HG1 GLU 5 -14.336 -11.153 -4.294 46 2HG GLU 5 HG2 GLU 5 -14.890 -9.531 -4.702 47 H GLU 6 HN GLU 6 -18.827 -8.721 -3.115 48 HA GLU 6 HA GLU 6 -20.760 -10.817 -2.562 49 1HB GLU 6 HB1 GLU 6 -21.022 -8.005 -1.513 50 2HB GLU 6 HB2 GLU 6 -19.660 -8.972 -0.967 51 1HG GLU 6 HG1 GLU 6 -21.585 -9.246 0.561 52 2HG GLU 6 HG2 GLU 6 -21.221 -10.764 -0.255 53 H CYS 7 HN CYS 7 -21.189 -7.367 -3.358 54 HA CYS 7 HA CYS 7 -23.866 -7.930 -4.407 55 1HB CYS 7 HB1 CYS 7 -24.018 -5.553 -4.722 56 2HB CYS 7 HB2 CYS 7 -22.290 -5.364 -4.740 57 H GLY 8 HN GLY 8 -20.882 -6.556 -5.746 58 1HA GLY 8 HA1 GLY 8 -21.726 -7.564 -8.437 59 2HA GLY 8 HA2 GLY 8 -20.049 -7.533 -7.900 60 H ILE 9 HN ILE 9 -20.932 -4.862 -6.538 61 HA ILE 9 HA ILE 9 -21.546 -3.004 -8.573 62 HB ILE 9 HB ILE 9 -21.440 -2.715 -5.967 63 1HG1 ILE 9 HG11 ILE 9 -20.761 -0.732 -8.095 64 2HG1 ILE 9 HG12 ILE 9 -20.586 -0.220 -6.420 65 1HG2 ILE 9 HG21 ILE 9 -18.638 -1.704 -6.659 66 2HG2 ILE 9 HG22 ILE 9 -18.901 -3.321 -6.015 67 3HG2 ILE 9 HG23 ILE 9 -19.344 -1.918 -5.071 68 1HD1 ILE 9 HD1 ILE 9 -23.089 -1.512 -7.555 69 2HD1 ILE 9 HD2 ILE 9 -22.879 0.223 -7.347 70 3HD1 ILE 9 HD3 ILE 9 -22.899 -0.836 -5.941 71 NH1 ARG 10 NH2 ARG 10 -20.249 -3.662 -15.170 72 NH2 ARG 10 NH1 ARG 10 -20.223 -1.378 -15.107 73 H ARG 10 HN ARG 10 -20.377 -2.158 -10.190 74 HA ARG 10 HA ARG 10 -17.472 -2.852 -10.276 75 1HB ARG 10 HB1 ARG 10 -19.155 -1.852 -12.603 76 2HB ARG 10 HB2 ARG 10 -19.182 -3.545 -12.133 77 1HG ARG 10 HG1 ARG 10 -16.633 -3.520 -12.319 78 2HG ARG 10 HG2 ARG 10 -16.786 -1.927 -13.054 79 1HD ARG 10 HD1 ARG 10 -18.221 -4.392 -14.089 80 2HD ARG 10 HD2 ARG 10 -16.674 -3.831 -14.716 81 HE ARG 10 HE ARG 10 -17.789 -1.912 -15.654 82 1HH1 ARG 10 HH21 ARG 10 -19.744 -4.524 -15.186 83 2HH1 ARG 10 HH22 ARG 10 -21.250 -3.669 -15.187 84 1HH2 ARG 10 HH11 ARG 10 -19.698 -0.528 -15.076 85 2HH2 ARG 10 HH12 ARG 10 -21.223 -1.347 -15.123 86 H ABA 11 HN ABU 11 -16.265 -1.244 -9.530 87 HA ABA 11 HA ABU 11 -16.825 1.513 -10.569 88 1HB ABA 11 HB1 ABU 11 -16.119 2.399 -8.383 89 2HB ABA 11 HB2 ABU 11 -15.745 0.787 -7.810 90 1HG ABA 11 HG1 ABU 11 -18.506 1.748 -8.627 91 2HG ABA 11 HG2 ABU 11 -17.952 1.549 -6.966 92 3HG ABA 11 HG3 ABU 11 -18.118 0.143 -8.014 93 H LYS 12 HN LYS 12 -15.215 1.942 -11.937 94 HA LYS 12 HA LYS 12 -12.642 0.680 -11.774 95 1HB LYS 12 HB1 LYS 12 -12.064 2.240 -13.638 96 2HB LYS 12 HB2 LYS 12 -13.555 3.127 -13.349 97 1HG LYS 12 HG1 LYS 12 -14.232 0.360 -13.560 98 2HG LYS 12 HG2 LYS 12 -13.172 0.743 -14.910 99 1HD LYS 12 HD1 LYS 12 -15.608 2.393 -14.152 100 2HD LYS 12 HD2 LYS 12 -15.612 1.148 -15.394 101 1HE LYS 12 HE1 LYS 12 -13.375 2.990 -15.737 102 2HE LYS 12 HE2 LYS 12 -14.917 3.834 -15.757 103 1HZ LYS 12 HZ1 LYS 12 -15.167 3.144 -17.822 104 2HZ LYS 12 HZ2 LYS 12 -15.264 1.544 -17.261 105 3HZ LYS 12 HZ3 LYS 12 -13.767 2.188 -17.737 106 H LYS 13 HN LYS 13 -13.781 2.769 -9.659 107 HA LYS 13 HA LYS 13 -11.170 4.186 -9.390 108 1HB LYS 13 HB1 LYS 13 -12.683 5.925 -8.111 109 2HB LYS 13 HB2 LYS 13 -14.007 5.142 -8.965 110 1HG LYS 13 HG1 LYS 13 -12.863 5.582 -11.124 111 2HG LYS 13 HG2 LYS 13 -11.558 6.386 -10.261 112 1HD LYS 13 HD1 LYS 13 -13.400 7.891 -9.245 113 2HD LYS 13 HD2 LYS 13 -14.446 7.252 -10.507 114 1HE LYS 13 HE1 LYS 13 -11.771 8.602 -11.003 115 2HE LYS 13 HE2 LYS 13 -13.336 9.387 -11.180 116 1HZ LYS 13 HZ1 LYS 13 -13.212 6.911 -12.589 117 2HZ LYS 13 HZ2 LYS 13 -12.005 7.991 -13.100 118 3HZ LYS 13 HZ3 LYS 13 -13.637 8.458 -13.149 119 HA PRO 14 HA PRO 14 -11.040 2.060 -5.446 120 1HB PRO 14 HB1 PRO 14 -8.834 2.476 -4.924 121 2HB PRO 14 HB2 PRO 14 -9.330 4.000 -4.188 122 1HG PRO 14 HG1 PRO 14 -7.785 3.691 -6.565 123 2HG PRO 14 HG2 PRO 14 -8.471 5.195 -5.949 124 1HD PRO 14 HD1 PRO 14 -9.879 5.216 -7.750 125 2HD PRO 14 HD2 PRO 14 -9.323 3.601 -8.235 126 H SER 15 HN SER 15 -10.942 5.617 -5.102 127 HA SER 15 HA SER 15 -12.149 5.868 -2.618 128 1HB SER 15 HB1 SER 15 -11.393 7.786 -4.140 129 2HB SER 15 HB2 SER 15 -12.994 8.079 -3.434 130 HG SER 15 HG1 SER 15 -12.960 6.548 -5.731 131 H MET 16 HN MET 16 -13.693 5.039 -5.669 132 HA MET 16 HA MET 16 -16.386 5.274 -4.586 133 1HB MET 16 HB1 MET 16 -16.872 3.860 -6.744 134 2HB MET 16 HB2 MET 16 -15.167 4.107 -7.111 135 1HG MET 16 HG1 MET 16 -16.508 5.845 -8.165 136 2HG MET 16 HG2 MET 16 -15.464 6.527 -6.947 137 1HE MET 16 HE1 MET 16 -16.868 8.167 -8.097 138 2HE MET 16 HE2 MET 16 -17.354 9.107 -6.686 139 3HE MET 16 HE3 MET 16 -18.574 8.497 -7.803 140 H LEU 17 HN LEU 17 -14.536 2.415 -5.726 141 HA LEU 17 HA LEU 17 -16.285 0.509 -4.571 142 1HB LEU 17 HB1 LEU 17 -13.268 0.143 -4.691 143 2HB LEU 17 HB2 LEU 17 -14.195 0.229 -6.170 144 HG LEU 17 HG LEU 17 -13.828 -2.127 -5.425 145 1HD1 LEU 17 HD11 LEU 17 -15.679 -1.554 -3.107 146 2HD1 LEU 17 HD12 LEU 17 -13.934 -1.448 -2.944 147 3HD1 LEU 17 HD13 LEU 17 -14.686 -2.973 -3.393 148 1HD2 LEU 17 HD21 LEU 17 -16.778 -1.714 -5.051 149 2HD2 LEU 17 HD22 LEU 17 -15.923 -2.849 -6.083 150 3HD2 LEU 17 HD23 LEU 17 -16.054 -1.161 -6.551 151 H LYS 18 HN LYS 18 -13.247 1.838 -3.365 152 HA LYS 18 HA LYS 18 -12.988 0.719 -0.898 153 1HB LYS 18 HB1 LYS 18 -12.781 3.696 -1.573 154 2HB LYS 18 HB2 LYS 18 -11.491 2.512 -1.737 155 1HG LYS 18 HG1 LYS 18 -12.359 2.239 0.915 156 2HG LYS 18 HG2 LYS 18 -12.354 3.974 0.628 157 1HD LYS 18 HD1 LYS 18 -10.034 3.800 -0.251 158 2HD LYS 18 HD2 LYS 18 -10.046 2.075 0.096 159 1HE LYS 18 HE1 LYS 18 -9.543 2.455 2.260 160 2HE LYS 18 HE2 LYS 18 -10.913 3.546 2.428 161 1HZ LYS 18 HZ1 LYS 18 -9.563 5.274 2.394 162 2HZ LYS 18 HZ2 LYS 18 -8.847 4.774 0.937 163 3HZ LYS 18 HZ3 LYS 18 -8.240 4.210 2.419 164 H LYS 19 HN LYS 19 -15.010 3.608 -1.498 165 HA LYS 19 HA LYS 19 -16.125 3.639 1.115 166 1HB LYS 19 HB1 LYS 19 -18.062 4.654 -0.728 167 2HB LYS 19 HB2 LYS 19 -16.485 5.052 -1.394 168 1HG LYS 19 HG1 LYS 19 -15.828 6.019 0.811 169 2HG LYS 19 HG2 LYS 19 -17.444 5.679 1.417 170 1HD LYS 19 HD1 LYS 19 -18.147 7.017 -0.793 171 2HD LYS 19 HD2 LYS 19 -16.555 7.730 -0.573 172 1HE LYS 19 HE1 LYS 19 -17.145 8.335 1.754 173 2HE LYS 19 HE2 LYS 19 -18.739 7.622 1.536 174 1HZ LYS 19 HZ1 LYS 19 -18.780 9.247 -0.495 175 2HZ LYS 19 HZ2 LYS 19 -17.644 10.099 0.435 176 3HZ LYS 19 HZ3 LYS 19 -19.188 9.780 1.065 177 H HIS 20 HN HIS 20 -17.123 2.030 -1.861 178 HA HIS 20 HA HIS 20 -19.685 1.185 -0.934 179 1HB HIS 20 HB1 HIS 20 -17.782 -0.107 -2.931 180 2HB HIS 20 HB2 HIS 20 -19.090 1.002 -3.321 181 HD1 HIS 20 HD1 HIS 20 -21.239 -0.201 -3.758 182 HD2 HIS 20 HD2 HIS 20 -18.667 -2.581 -1.693 183 HE1 HIS 20 HE1 HIS 20 -22.362 -2.371 -3.577 184 H ILE 21 HN ILE 21 -16.531 -0.512 -0.890 185 HA ILE 21 HA ILE 21 -17.497 -2.880 0.295 186 HB ILE 21 HB ILE 21 -15.023 -2.131 -0.538 187 1HG1 ILE 21 HG11 ILE 21 -15.635 -4.191 1.618 188 2HG1 ILE 21 HG12 ILE 21 -14.131 -4.133 0.712 189 1HG2 ILE 21 HG21 ILE 21 -13.510 -1.715 1.296 190 2HG2 ILE 21 HG22 ILE 21 -14.707 -2.169 2.501 191 3HG2 ILE 21 HG23 ILE 21 -14.864 -0.661 1.626 192 1HD1 ILE 21 HD1 ILE 21 -16.157 -4.024 -1.246 193 2HD1 ILE 21 HD2 ILE 21 -16.706 -5.228 -0.085 194 3HD1 ILE 21 HD3 ILE 21 -15.138 -5.406 -0.866 195 NH1 ARG 22 NH2 ARG 22 -13.400 5.079 4.253 196 NH2 ARG 22 NH1 ARG 22 -11.675 4.013 5.305 197 H ARG 22 HN ARG 22 -16.801 0.245 1.703 198 HA ARG 22 HA ARG 22 -16.897 -0.719 4.444 199 1HB ARG 22 HB1 ARG 22 -17.409 1.826 4.848 200 2HB ARG 22 HB2 ARG 22 -17.145 2.008 3.122 201 1HG ARG 22 HG1 ARG 22 -14.902 1.039 3.330 202 2HG ARG 22 HG2 ARG 22 -15.163 0.758 5.048 203 1HD ARG 22 HD1 ARG 22 -15.330 3.147 5.474 204 2HD ARG 22 HD2 ARG 22 -15.285 3.500 3.747 205 HE ARG 22 HE ARG 22 -12.939 2.023 4.482 206 1HH1 ARG 22 HH21 ARG 22 -14.291 5.026 3.801 207 2HH1 ARG 22 HH22 ARG 22 -12.943 5.962 4.354 208 1HH2 ARG 22 HH11 ARG 22 -11.272 3.162 5.643 209 2HH2 ARG 22 HH12 ARG 22 -11.188 4.879 5.425 210 H THR 23 HN THR 23 -19.260 0.532 2.161 211 HA THR 23 HA THR 23 -21.417 1.035 3.845 212 HB THR 23 HB THR 23 -21.569 -0.487 1.163 213 HG1 THR 23 HG1 THR 23 -20.300 1.380 1.057 214 1HG2 THR 23 HG21 THR 23 -23.499 1.126 2.873 215 2HG2 THR 23 HG22 THR 23 -23.851 -0.247 1.832 216 3HG2 THR 23 HG23 THR 23 -23.586 1.344 1.128 217 H HIS 24 HN HIS 24 -19.880 -1.984 3.176 218 HA HIS 24 HA HIS 24 -22.152 -3.607 4.074 219 1HB HIS 24 HB1 HIS 24 -20.231 -5.400 4.190 220 2HB HIS 24 HB2 HIS 24 -19.211 -4.153 3.478 221 HD1 HIS 24 HD1 HIS 24 -22.343 -6.026 2.653 222 HD2 HIS 24 HD2 HIS 24 -19.516 -3.791 0.755 223 HE1 HIS 24 HE1 HIS 24 -22.821 -6.255 0.244 224 H THR 25 HN THR 25 -20.706 -1.433 5.745 225 HA THR 25 HA THR 25 -20.060 -3.089 8.132 226 HB THR 25 HB THR 25 -19.131 -0.840 8.965 227 HG1 THR 25 HG1 THR 25 -20.467 -0.202 6.654 228 1HG2 THR 25 HG21 THR 25 -18.239 -2.189 6.431 229 2HG2 THR 25 HG22 THR 25 -17.292 -1.843 7.874 230 3HG2 THR 25 HG23 THR 25 -17.602 -0.569 6.699 231 H ASP 26 HN ASP 26 -20.808 0.107 8.763 232 HA ASP 26 HA ASP 26 -23.659 -0.380 9.295 233 1HB ASP 26 HB1 ASP 26 -23.327 0.353 11.720 234 2HB ASP 26 HB2 ASP 26 -21.589 0.226 11.463 235 H VAL 27 HN VAL 27 -21.994 1.307 7.648 236 HA VAL 27 HA VAL 27 -22.463 4.006 8.779 237 HB VAL 27 HB VAL 27 -20.252 3.530 7.783 238 1HG1 VAL 27 HG11 VAL 27 -21.035 1.732 6.246 239 2HG1 VAL 27 HG12 VAL 27 -20.016 2.904 5.429 240 3HG1 VAL 27 HG13 VAL 27 -21.762 2.949 5.218 241 1HG2 VAL 27 HG21 VAL 27 -21.218 5.188 5.572 242 2HG2 VAL 27 HG22 VAL 27 -20.140 5.615 6.896 243 3HG2 VAL 27 HG23 VAL 27 -21.884 5.695 7.122 244 NH1 ARG 28 NH1 ARG 28 -26.693 -1.629 3.036 245 NH2 ARG 28 NH2 ARG 28 -24.826 -2.857 3.508 246 H ARG 28 HN ARG 28 -24.755 2.668 8.190 247 HA ARG 28 HA ARG 28 -25.761 3.994 5.709 248 1HB ARG 28 HB1 ARG 28 -27.548 2.124 5.907 249 2HB ARG 28 HB2 ARG 28 -26.480 1.394 7.098 250 1HG ARG 28 HG1 ARG 28 -24.688 1.853 5.134 251 2HG ARG 28 HG2 ARG 28 -26.134 1.647 4.155 252 1HD ARG 28 HD1 ARG 28 -26.590 -0.494 5.425 253 2HD ARG 28 HD2 ARG 28 -25.009 -0.312 6.181 254 HE ARG 28 HE ARG 28 -24.127 -0.315 3.746 255 1HH1 ARG 28 HH11 ARG 28 -27.178 -0.756 3.080 256 2HH1 ARG 28 HH12 ARG 28 -27.126 -2.419 2.601 257 1HH2 ARG 28 HH21 ARG 28 -23.909 -2.903 3.906 258 2HH2 ARG 28 HH22 ARG 28 -25.226 -3.668 3.081 259 HA PRO 29 HA PRO 29 -27.789 5.953 9.424 260 1HB PRO 29 HB1 PRO 29 -27.309 8.180 9.141 261 2HB PRO 29 HB2 PRO 29 -28.249 8.244 7.649 262 1HG PRO 29 HG1 PRO 29 -25.339 8.054 7.967 263 2HG PRO 29 HG2 PRO 29 -26.265 8.364 6.497 264 1HD PRO 29 HD1 PRO 29 -26.024 6.208 5.822 265 2HD PRO 29 HD2 PRO 29 -24.923 5.943 7.185 266 OH TYR 30 OH TYR 30 -28.986 10.571 2.966 267 H TYR 30 HN TYR 30 -28.793 5.534 6.103 268 HA TYR 30 HA TYR 30 -31.573 6.262 6.659 269 1HB TYR 30 HB1 TYR 30 -31.964 5.393 4.342 270 2HB TYR 30 HB2 TYR 30 -30.336 4.737 4.309 271 HD1 TYR 30 HD1 TYR 30 -32.034 7.987 5.091 272 HD2 TYR 30 HD2 TYR 30 -28.702 6.065 3.272 273 HE1 TYR 30 HE1 TYR 30 -31.186 10.161 4.340 274 HE2 TYR 30 HE2 TYR 30 -27.854 8.242 2.530 275 HH TYR 30 HH TYR 30 -29.738 11.117 2.728 276 H HIS 31 HN HIS 31 -32.083 4.916 8.434 277 HA HIS 31 HA HIS 31 -32.150 1.979 7.899 278 1HB HIS 31 HB1 HIS 31 -32.819 1.980 10.421 279 2HB HIS 31 HB2 HIS 31 -32.400 3.689 10.411 280 HD1 HIS 31 HD1 HIS 31 -30.868 0.443 10.521 281 HD2 HIS 31 HD2 HIS 31 -29.618 4.229 9.782 282 HE1 HIS 31 HE1 HIS 31 -28.449 0.351 10.715 283 H CYS 32 HN CYS 32 -34.066 0.831 7.843 284 HA CYS 32 HA CYS 32 -36.457 2.257 7.170 285 1HB CYS 32 HB1 CYS 32 -35.828 -0.611 7.929 286 2HB CYS 32 HB2 CYS 32 -36.292 0.015 6.368 287 H THR 33 HN THR 33 -38.364 2.565 8.360 288 HA THR 33 HA THR 33 -37.904 2.966 11.222 289 HB THR 33 HB THR 33 -40.336 3.424 9.398 290 HG1 THR 33 HG1 THR 33 -39.601 5.610 10.124 291 1HG2 THR 33 HG21 THR 33 -39.915 3.723 12.389 292 2HG2 THR 33 HG22 THR 33 -41.408 3.357 11.529 293 3HG2 THR 33 HG23 THR 33 -40.788 5.004 11.555 294 OH TYR 34 OH TYR 34 -44.502 2.636 9.347 295 H TYR 34 HN TYR 34 -38.258 0.226 9.775 296 HA TYR 34 HA TYR 34 -39.926 -0.922 11.952 297 1HB TYR 34 HB1 TYR 34 -41.111 -2.373 10.333 298 2HB TYR 34 HB2 TYR 34 -40.183 -1.696 9.003 299 HD1 TYR 34 HD2 TYR 34 -40.453 0.803 8.496 300 HD2 TYR 34 HD1 TYR 34 -43.083 -1.285 11.107 301 HE1 TYR 34 HE2 TYR 34 -42.138 2.561 8.208 302 HE2 TYR 34 HE1 TYR 34 -44.763 0.478 10.818 303 HH TYR 34 HH TYR 34 -45.364 2.218 9.269 304 H CYS 35 HN CYS 35 -38.307 -2.123 9.022 305 HA CYS 35 HA CYS 35 -37.296 -4.478 10.301 306 1HB CYS 35 HB1 CYS 35 -35.955 -4.747 8.291 307 2HB CYS 35 HB2 CYS 35 -36.066 -3.052 7.919 308 H ASN 36 HN ASN 36 -34.686 -4.631 9.576 309 HA ASN 36 HA ASN 36 -33.354 -2.621 11.347 310 1HB ASN 36 HB1 ASN 36 -32.776 -5.605 10.952 311 2HB ASN 36 HB2 ASN 36 -33.415 -4.860 12.416 312 1HD2 ASN 36 HD21 ASN 36 -31.938 -3.269 13.536 313 2HD2 ASN 36 HD22 ASN 36 -30.259 -3.474 13.398 314 H PHE 37 HN PHE 37 -33.767 -3.483 8.278 315 HA PHE 37 HA PHE 37 -30.995 -3.552 7.367 316 1HB PHE 37 HB1 PHE 37 -33.281 -2.866 5.529 317 2HB PHE 37 HB2 PHE 37 -33.304 -4.461 6.279 318 HD1 PHE 37 HD2 PHE 37 -31.169 -5.907 6.058 319 HD2 PHE 37 HD1 PHE 37 -31.884 -2.449 3.681 320 HE1 PHE 37 HE2 PHE 37 -29.511 -6.686 4.422 321 HE2 PHE 37 HE1 PHE 37 -30.225 -3.233 2.046 322 HZ PHE 37 HZ PHE 37 -29.038 -5.350 2.416 323 H SER 38 HN SER 38 -30.082 -1.917 5.964 324 HA SER 38 HA SER 38 -31.364 0.736 6.087 325 1HB SER 38 HB1 SER 38 -28.515 0.331 7.086 326 2HB SER 38 HB2 SER 38 -29.903 0.386 8.177 327 HG SER 38 HG1 SER 38 -29.598 2.326 6.169 328 H PHE 39 HN PHE 39 -30.016 2.373 4.910 329 HA PHE 39 HA PHE 39 -28.410 1.112 2.738 330 1HB PHE 39 HB1 PHE 39 -29.711 2.281 1.078 331 2HB PHE 39 HB2 PHE 39 -30.458 3.312 2.296 332 HD1 PHE 39 HD2 PHE 39 -32.075 2.306 3.936 333 HD2 PHE 39 HD1 PHE 39 -30.612 0.080 0.619 334 HE1 PHE 39 HE2 PHE 39 -33.891 0.685 4.229 335 HE2 PHE 39 HE1 PHE 39 -32.434 -1.544 0.913 336 HZ PHE 39 HZ PHE 39 -34.075 -1.241 2.720 337 H LYS 40 HN LYS 40 -27.039 2.618 1.604 338 HA LYS 40 HA LYS 40 -25.981 4.680 3.426 339 1HB LYS 40 HB1 LYS 40 -25.074 3.550 0.732 340 2HB LYS 40 HB2 LYS 40 -24.409 3.170 2.303 341 1HG LYS 40 HG1 LYS 40 -24.246 5.859 0.905 342 2HG LYS 40 HG2 LYS 40 -22.921 4.737 1.174 343 1HD LYS 40 HD1 LYS 40 -23.614 4.948 3.699 344 2HD LYS 40 HD2 LYS 40 -24.367 6.448 3.173 345 1HE LYS 40 HE1 LYS 40 -21.471 5.701 3.238 346 2HE LYS 40 HE2 LYS 40 -22.237 7.229 3.652 347 1HZ LYS 40 HZ1 LYS 40 -21.400 6.213 1.049 348 2HZ LYS 40 HZ2 LYS 40 -21.327 7.789 1.677 349 3HZ LYS 40 HZ3 LYS 40 -22.800 7.175 1.096 350 H THR 41 HN THR 41 -28.107 4.463 0.808 351 HA THR 41 HA THR 41 -27.867 7.406 0.339 352 HB THR 41 HB THR 41 -28.307 7.035 -2.004 353 HG1 THR 41 HG1 THR 41 -29.290 5.114 -2.621 354 1HG2 THR 41 HG21 THR 41 -26.092 5.841 -1.108 355 2HG2 THR 41 HG22 THR 41 -26.688 5.353 -2.691 356 3HG2 THR 41 HG23 THR 41 -27.017 4.352 -1.280 357 H LYS 42 HN LYS 42 -29.801 8.503 -0.189 358 HA LYS 42 HA LYS 42 -32.047 7.570 1.378 359 1HB LYS 42 HB1 LYS 42 -31.738 10.006 -0.436 360 2HB LYS 42 HB2 LYS 42 -31.384 9.979 1.287 361 1HG LYS 42 HG1 LYS 42 -33.938 8.956 1.227 362 2HG LYS 42 HG2 LYS 42 -33.988 10.121 -0.091 363 1HD LYS 42 HD1 LYS 42 -32.997 11.831 1.474 364 2HD LYS 42 HD2 LYS 42 -33.160 10.661 2.779 365 1HE LYS 42 HE1 LYS 42 -35.486 11.529 1.040 366 2HE LYS 42 HE2 LYS 42 -35.088 12.307 2.566 367 1HZ LYS 42 HZ1 LYS 42 -36.776 10.587 2.814 368 2HZ LYS 42 HZ2 LYS 42 -35.374 10.215 3.696 369 3HZ LYS 42 HZ3 LYS 42 -35.689 9.422 2.228 370 H GLY 43 HN GLY 43 -31.060 7.262 -1.850 371 1HA GLY 43 HA1 GLY 43 -32.178 6.498 -3.776 372 2HA GLY 43 HA2 GLY 43 -33.648 7.221 -3.127 373 H ASN 44 HN ASN 44 -31.482 4.479 -2.434 374 HA ASN 44 HA ASN 44 -33.238 2.397 -2.875 375 1HB ASN 44 HB1 ASN 44 -31.956 1.271 -0.882 376 2HB ASN 44 HB2 ASN 44 -31.074 2.790 -0.773 377 1HD2 ASN 44 HD21 ASN 44 -31.512 3.017 -3.860 378 2HD2 ASN 44 HD22 ASN 44 -30.287 2.030 -4.497 379 H LEU 45 HN LEU 45 -33.186 4.591 -0.155 380 HA LEU 45 HA LEU 45 -34.848 3.146 1.624 381 1HB LEU 45 HB1 LEU 45 -35.021 6.158 1.208 382 2HB LEU 45 HB2 LEU 45 -33.572 5.440 1.890 383 HG LEU 45 HG LEU 45 -35.130 6.222 3.659 384 1HD1 LEU 45 HD11 LEU 45 -37.328 5.389 3.925 385 2HD1 LEU 45 HD12 LEU 45 -37.070 4.057 2.810 386 3HD1 LEU 45 HD13 LEU 45 -37.199 5.699 2.198 387 1HD2 LEU 45 HD21 LEU 45 -34.695 4.437 5.050 388 2HD2 LEU 45 HD22 LEU 45 -33.696 3.955 3.689 389 3HD2 LEU 45 HD23 LEU 45 -35.285 3.241 3.906 390 H THR 46 HN THR 46 -35.813 5.736 -0.632 391 HA THR 46 HA THR 46 -38.587 5.474 -0.347 392 HB THR 46 HB THR 46 -36.999 6.036 -2.929 393 HG1 THR 46 HG1 THR 46 -38.111 8.112 -1.638 394 1HG2 THR 46 HG21 THR 46 -39.883 6.532 -2.020 395 2HG2 THR 46 HG22 THR 46 -39.352 5.834 -3.547 396 3HG2 THR 46 HG23 THR 46 -39.131 7.555 -3.242 397 H LYS 47 HN LYS 47 -36.318 3.493 -2.106 398 HA LYS 47 HA LYS 47 -38.268 2.022 -3.635 399 1HB LYS 47 HB1 LYS 47 -35.695 0.743 -2.720 400 2HB LYS 47 HB2 LYS 47 -35.583 2.177 -3.734 401 1HG LYS 47 HG1 LYS 47 -36.830 1.140 -5.500 402 2HG LYS 47 HG2 LYS 47 -37.325 -0.191 -4.459 403 1HD LYS 47 HD1 LYS 47 -34.961 -0.916 -4.271 404 2HD LYS 47 HD2 LYS 47 -34.476 0.407 -5.324 405 1HE LYS 47 HE1 LYS 47 -36.443 -1.767 -6.106 406 2HE LYS 47 HE2 LYS 47 -34.739 -1.767 -6.546 407 1HZ LYS 47 HZ1 LYS 47 -35.922 0.718 -7.189 408 2HZ LYS 47 HZ2 LYS 47 -36.813 -0.547 -7.889 409 3HZ LYS 47 HZ3 LYS 47 -35.151 -0.400 -8.209 410 H HIS 48 HN HIS 48 -36.593 1.278 -0.570 411 HA HIS 48 HA HIS 48 -37.921 -1.236 -0.188 412 1HB HIS 48 HB1 HIS 48 -36.674 0.710 1.819 413 2HB HIS 48 HB2 HIS 48 -35.891 -0.687 1.088 414 HD1 HIS 48 HD1 HIS 48 -37.555 -2.929 1.600 415 HD2 HIS 48 HD2 HIS 48 -37.555 0.095 4.354 416 HE1 HIS 48 HE1 HIS 48 -38.401 -3.932 3.664 417 H MET 49 HN MET 49 -38.754 2.058 0.769 418 HA MET 49 HA MET 49 -41.000 1.221 2.407 419 1HB MET 49 HB1 MET 49 -41.630 3.749 2.002 420 2HB MET 49 HB2 MET 49 -40.059 3.849 1.213 421 1HG MET 49 HG1 MET 49 -39.726 4.446 3.501 422 2HG MET 49 HG2 MET 49 -39.032 2.864 3.265 423 1HE MET 49 HE1 MET 49 -41.663 4.229 6.495 424 2HE MET 49 HE2 MET 49 -41.610 5.065 4.942 425 3HE MET 49 HE3 MET 49 -40.120 4.779 5.840 426 H LYS 50 HN LYS 50 -40.544 1.968 -0.971 427 HA LYS 50 HA LYS 50 -43.246 2.451 -1.697 428 1HB LYS 50 HB1 LYS 50 -40.989 1.073 -3.233 429 2HB LYS 50 HB2 LYS 50 -41.390 2.788 -3.285 430 1HG LYS 50 HG1 LYS 50 -43.768 1.929 -4.014 431 2HG LYS 50 HG2 LYS 50 -42.905 0.457 -4.443 432 1HD LYS 50 HD1 LYS 50 -42.228 3.250 -5.432 433 2HD LYS 50 HD2 LYS 50 -43.037 2.003 -6.374 434 1HE LYS 50 HE1 LYS 50 -40.844 0.624 -5.531 435 2HE LYS 50 HE2 LYS 50 -40.175 2.247 -5.622 436 1HZ LYS 50 HZ1 LYS 50 -41.656 1.970 -7.906 437 2HZ LYS 50 HZ2 LYS 50 -40.885 0.468 -7.722 438 3HZ LYS 50 HZ3 LYS 50 -39.963 1.893 -7.779 439 H SER 51 HN SER 51 -41.513 -0.539 -1.097 440 HA SER 51 HA SER 51 -43.422 -2.336 -2.217 441 1HB SER 51 HB1 SER 51 -41.568 -2.703 0.202 442 2HB SER 51 HB2 SER 51 -41.162 -3.089 -1.483 443 HG SER 51 HG1 SER 51 -43.547 -4.075 -0.402 444 H LYS 52 HN LYS 52 -45.058 -3.566 -1.209 445 HA LYS 52 HA LYS 52 -46.633 -2.029 0.696 446 1HB LYS 52 HB1 LYS 52 -47.197 -4.922 -0.005 447 2HB LYS 52 HB2 LYS 52 -47.374 -3.693 -1.252 448 1HG LYS 52 HG1 LYS 52 -49.080 -2.565 -0.069 449 2HG LYS 52 HG2 LYS 52 -48.641 -3.317 1.460 450 1HD LYS 52 HD1 LYS 52 -49.716 -5.309 0.945 451 2HD LYS 52 HD2 LYS 52 -49.489 -5.105 -0.788 452 1HE LYS 52 HE1 LYS 52 -51.339 -3.369 0.875 453 2HE LYS 52 HE2 LYS 52 -51.879 -4.792 -0.005 454 1HZ LYS 52 HZ1 LYS 52 -50.420 -3.319 -1.808 455 2HZ LYS 52 HZ2 LYS 52 -51.360 -2.179 -0.969 456 3HZ LYS 52 HZ3 LYS 52 -52.109 -3.487 -1.753 457 H ALA 53 HN ALA 53 -43.951 -3.564 1.303 458 HA ALA 53 HA ALA 53 -44.348 -5.580 3.182 459 1HB ALA 53 HB1 ALA 53 -42.210 -4.875 4.159 460 2HB ALA 53 HB2 ALA 53 -42.404 -3.245 3.523 461 3HB ALA 53 HB3 ALA 53 -42.118 -4.591 2.424 462 H HIS 54 HN HIS 54 -43.719 -2.257 4.278 463 HA HIS 54 HA HIS 54 -46.068 -2.350 6.017 464 1HB HIS 54 HB1 HIS 54 -44.727 -3.391 7.602 465 2HB HIS 54 HB2 HIS 54 -44.290 -1.724 7.949 466 HD1 HIS 54 HD1 HIS 54 -42.933 -4.782 6.462 467 HD2 HIS 54 HD2 HIS 54 -41.672 -0.935 7.030 468 HE1 HIS 54 HE1 HIS 54 -40.510 -4.829 6.114 469 H SER 55 HN SER 55 -46.736 -0.489 5.018 470 HA SER 55 HA SER 55 -45.524 1.963 6.054 471 1HB SER 55 HB1 SER 55 -44.155 1.698 4.025 472 2HB SER 55 HB2 SER 55 -45.384 2.917 3.633 473 HG SER 55 HG1 SER 55 -46.282 0.359 3.348 474 H LYS 56 HN LYS 56 -47.514 2.318 7.011 475 HA LYS 56 HA LYS 56 -49.981 2.266 5.466 476 1HB LYS 56 HB1 LYS 56 -50.981 3.177 7.552 477 2HB LYS 56 HB2 LYS 56 -49.378 3.523 8.188 478 1HG LYS 56 HG1 LYS 56 -48.836 1.078 8.015 479 2HG LYS 56 HG2 LYS 56 -50.501 0.782 7.523 480 1HD LYS 56 HD1 LYS 56 -51.332 1.681 9.638 481 2HD LYS 56 HD2 LYS 56 -49.701 2.134 10.122 482 1HE LYS 56 HE1 LYS 56 -49.022 -0.124 10.366 483 2HE LYS 56 HE2 LYS 56 -50.375 -0.724 9.416 484 1HZ LYS 56 HZ1 LYS 56 -50.405 0.345 12.169 485 2HZ LYS 56 HZ2 LYS 56 -50.919 -1.178 11.620 486 3HZ LYS 56 HZ3 LYS 56 -51.824 0.210 11.245 487 H LYS 57 HN LYS 57 -48.436 3.821 3.983 488 HA LYS 57 HA LYS 57 -48.271 6.561 4.543 489 1HB LYS 57 HB1 LYS 57 -48.944 5.333 1.830 490 2HB LYS 57 HB2 LYS 57 -47.324 5.322 2.517 491 1HG LYS 57 HG1 LYS 57 -47.337 7.788 2.620 492 2HG LYS 57 HG2 LYS 57 -48.972 7.813 1.968 493 1HD LYS 57 HD1 LYS 57 -48.212 6.796 -0.113 494 2HD LYS 57 HD2 LYS 57 -46.593 6.578 0.542 495 1HE LYS 57 HE1 LYS 57 -46.975 8.631 -0.978 496 2HE LYS 57 HE2 LYS 57 -46.166 8.916 0.558 497 1HZ LYS 57 HZ1 LYS 57 -47.813 10.560 0.326 498 2HZ LYS 57 HZ2 LYS 57 -48.403 9.462 1.479 499 3HZ LYS 57 LYS 57 -49.003 9.429 -0.109 Start of MODEL 37 Raw file had 499 H/Q atoms Start of MODEL 37 1 1H LYS 1 HT1 LYS 1 -13.523 -8.439 -13.152 2 2H LYS 1 HT2 LYS 1 -15.026 -7.794 -12.695 3 3H LYS 1 HT3 LYS 1 -14.938 -9.354 -13.358 4 HA LYS 1 HA LYS 1 -14.764 -10.208 -11.357 5 1HB LYS 1 HB1 LYS 1 -12.562 -8.702 -10.212 6 2HB LYS 1 HB2 LYS 1 -12.204 -9.027 -11.904 7 1HG LYS 1 HG1 LYS 1 -12.554 -11.406 -11.588 8 2HG LYS 1 HG2 LYS 1 -13.143 -11.148 -9.950 9 1HD LYS 1 HD1 LYS 1 -10.995 -10.505 -9.159 10 2HD LYS 1 HD2 LYS 1 -10.381 -10.251 -10.789 11 1HE LYS 1 HE1 LYS 1 -10.260 -12.569 -11.233 12 2HE LYS 1 HE2 LYS 1 -11.354 -12.971 -9.916 13 1HZ LYS 1 HZ1 LYS 1 -9.231 -11.652 -8.759 14 2HZ LYS 1 HZ2 LYS 1 -8.538 -12.720 -9.883 15 3HZ LYS 1 HZ3 LYS 1 -9.577 -13.313 -8.678 16 OH TYR 2 OH TYR 2 -11.587 -3.005 -12.110 17 H TYR 2 HN TYR 2 -15.918 -7.354 -11.801 18 HA TYR 2 HA TYR 2 -15.840 -6.381 -9.005 19 1HB TYR 2 HB1 TYR 2 -17.131 -4.462 -9.936 20 2HB TYR 2 HB2 TYR 2 -17.245 -5.286 -11.488 21 HD1 TYR 2 HD2 TYR 2 -14.811 -3.868 -9.050 22 HD2 TYR 2 HD1 TYR 2 -15.449 -5.174 -13.048 23 HE1 TYR 2 HE2 TYR 2 -12.637 -2.935 -9.702 24 HE2 TYR 2 HE1 TYR 2 -13.274 -4.248 -13.698 25 HH TYR 2 HH TYR 2 -10.901 -3.556 -11.727 26 H ILE 3 HN ILE 3 -17.021 -8.829 -9.172 27 HA ILE 3 HA ILE 3 -19.949 -8.280 -9.028 28 HB ILE 3 HB ILE 3 -18.652 -11.023 -8.966 29 1HG1 ILE 3 HG11 ILE 3 -17.667 -9.945 -10.909 30 2HG1 ILE 3 HG12 ILE 3 -19.231 -9.313 -11.411 31 1HG2 ILE 3 HG21 ILE 3 -21.226 -10.324 -8.660 32 2HG2 ILE 3 HG22 ILE 3 -20.808 -11.750 -9.601 33 3HG2 ILE 3 HG23 ILE 3 -21.190 -10.236 -10.416 34 1HD1 ILE 3 HD1 ILE 3 -20.017 -11.423 -12.066 35 2HD1 ILE 3 HD2 ILE 3 -18.891 -12.277 -11.017 36 3HD1 ILE 3 HD3 ILE 3 -18.314 -11.531 -12.505 37 H CYS 4 HN CYS 4 -20.360 -7.630 -6.932 38 HA CYS 4 HA CYS 4 -18.914 -8.430 -4.658 39 1HB CYS 4 HB1 CYS 4 -21.803 -7.617 -5.013 40 2HB CYS 4 HB2 CYS 4 -20.494 -6.656 -4.391 41 H GLU 5 HN GLU 5 -18.543 -10.384 -3.975 42 HA GLU 5 HA GLU 5 -19.906 -12.719 -4.744 43 1HB GLU 5 HB1 GLU 5 -18.756 -13.740 -2.715 44 2HB GLU 5 HB2 GLU 5 -18.263 -12.117 -2.247 45 1HG GLU 5 HG1 GLU 5 -16.433 -13.110 -3.492 46 2HG GLU 5 HG2 GLU 5 -17.173 -11.885 -4.522 47 H GLU 6 HN GLU 6 -20.744 -10.423 -2.277 48 HA GLU 6 HA GLU 6 -22.490 -12.271 -0.878 49 1HB GLU 6 HB1 GLU 6 -22.634 -9.260 -0.640 50 2HB GLU 6 HB2 GLU 6 -21.253 -10.119 0.023 51 1HG GLU 6 HG1 GLU 6 -22.811 -11.562 1.334 52 2HG GLU 6 HG2 GLU 6 -24.168 -10.624 0.714 53 H CYS 7 HN CYS 7 -23.205 -9.169 -2.467 54 HA CYS 7 HA CYS 7 -25.978 -9.996 -2.867 55 1HB CYS 7 HB1 CYS 7 -26.304 -7.803 -3.754 56 2HB CYS 7 HB2 CYS 7 -24.626 -7.634 -4.180 57 H GLY 8 HN GLY 8 -23.311 -9.059 -5.008 58 1HA GLY 8 HA1 GLY 8 -24.508 -10.803 -7.126 59 2HA GLY 8 HA2 GLY 8 -22.779 -10.541 -6.936 60 H ILE 9 HN ILE 9 -23.626 -7.625 -6.245 61 HA ILE 9 HA ILE 9 -24.770 -6.472 -8.552 62 HB ILE 9 HB ILE 9 -24.237 -5.398 -6.231 63 1HG1 ILE 9 HG11 ILE 9 -24.213 -4.210 -8.942 64 2HG1 ILE 9 HG12 ILE 9 -23.592 -3.167 -7.667 65 1HG2 ILE 9 HG21 ILE 9 -21.693 -5.922 -6.588 66 2HG2 ILE 9 HG22 ILE 9 -22.090 -4.318 -6.005 67 3HG2 ILE 9 HG23 ILE 9 -21.690 -4.557 -7.698 68 1HD1 ILE 9 HD1 ILE 9 -26.131 -3.076 -8.090 69 2HD1 ILE 9 HD2 ILE 9 -25.624 -3.312 -6.420 70 3HD1 ILE 9 HD3 ILE 9 -26.197 -4.681 -7.368 71 NH1 ARG 10 NH2 ARG 10 -19.102 -8.874 -15.194 72 NH2 ARG 10 NH1 ARG 10 -20.055 -9.900 -16.999 73 H ARG 10 HN ARG 10 -24.039 -6.201 -10.549 74 HA ARG 10 HA ARG 10 -21.159 -6.754 -11.066 75 1HB ARG 10 HB1 ARG 10 -23.483 -6.555 -13.039 76 2HB ARG 10 HB2 ARG 10 -22.989 -8.058 -12.272 77 1HG ARG 10 HG1 ARG 10 -20.619 -7.505 -13.199 78 2HG ARG 10 HG2 ARG 10 -21.453 -6.364 -14.245 79 1HD ARG 10 HD1 ARG 10 -23.008 -8.363 -14.837 80 2HD ARG 10 HD2 ARG 10 -21.740 -9.369 -14.138 81 HE ARG 10 HE ARG 10 -21.454 -7.693 -16.577 82 1HH1 ARG 10 HH21 ARG 10 -19.170 -8.201 -14.456 83 2HH1 ARG 10 HH22 ARG 10 -18.273 -9.422 -15.295 84 1HH2 ARG 10 HH11 ARG 10 -20.837 -9.996 -17.615 85 2HH2 ARG 10 HH12 ARG 10 -19.242 -10.466 -17.131 86 H ABA 11 HN ABU 11 -20.173 -4.800 -10.712 87 HA ABA 11 HA ABU 11 -21.187 -2.464 -12.293 88 1HB ABA 11 HB1 ABU 11 -19.652 -1.164 -10.753 89 2HB ABA 11 HB2 ABU 11 -19.317 -2.652 -9.897 90 1HG ABA 11 HG1 ABU 11 -21.983 -1.245 -10.174 91 2HG ABA 11 HG2 ABU 11 -21.093 -1.570 -8.689 92 3HG ABA 11 HG3 ABU 11 -21.837 -2.896 -9.578 93 H LYS 12 HN LYS 12 -20.233 -2.354 -14.194 94 HA LYS 12 HA LYS 12 -17.735 -3.521 -14.855 95 1HB LYS 12 HB1 LYS 12 -17.951 -1.980 -16.905 96 2HB LYS 12 HB2 LYS 12 -19.409 -1.340 -16.156 97 1HG LYS 12 HG1 LYS 12 -20.332 -3.665 -16.053 98 2HG LYS 12 HG2 LYS 12 -18.897 -4.245 -16.884 99 1HD LYS 12 HD1 LYS 12 -20.679 -3.910 -18.525 100 2HD LYS 12 HD2 LYS 12 -19.419 -2.715 -18.794 101 1HE LYS 12 HE1 LYS 12 -20.749 -0.963 -18.121 102 2HE LYS 12 HE2 LYS 12 -21.588 -1.923 -16.911 103 1HZ LYS 12 HZ1 LYS 12 -23.077 -2.711 -18.417 104 2HZ LYS 12 HZ2 LYS 12 -22.027 -2.534 -19.740 105 3HZ LYS 12 HZ3 LYS 12 -22.787 -1.171 -19.071 106 H LYS 13 HN LYS 13 -18.003 -1.192 -12.679 107 HA LYS 13 HA LYS 13 -15.399 -0.020 -13.468 108 1HB LYS 13 HB1 LYS 13 -16.412 2.210 -12.476 109 2HB LYS 13 HB2 LYS 13 -17.962 1.434 -12.792 110 1HG LYS 13 HG1 LYS 13 -17.266 1.081 -15.164 111 2HG LYS 13 HG2 LYS 13 -15.767 1.940 -14.831 112 1HD LYS 13 HD1 LYS 13 -17.198 3.902 -14.052 113 2HD LYS 13 HD2 LYS 13 -18.589 3.043 -14.707 114 1HE LYS 13 HE1 LYS 13 -16.108 3.714 -16.323 115 2HE LYS 13 HE2 LYS 13 -17.561 4.703 -16.310 116 1HZ LYS 13 HZ1 LYS 13 -17.155 2.021 -17.423 117 2HZ LYS 13 HZ2 LYS 13 -17.924 3.370 -18.109 118 3HZ LYS 13 HZ3 LYS 13 -18.707 2.472 -16.898 119 HA PRO 14 HA PRO 14 -14.336 -0.751 -9.215 120 1HB PRO 14 HB1 PRO 14 -12.130 -0.080 -9.379 121 2HB PRO 14 HB2 PRO 14 -12.645 1.518 -8.837 122 1HG PRO 14 HG1 PRO 14 -11.579 0.912 -11.383 123 2HG PRO 14 HG2 PRO 14 -12.427 2.399 -10.955 124 1HD PRO 14 HD1 PRO 14 -14.072 1.770 -12.427 125 2HD PRO 14 HD2 PRO 14 -13.351 0.158 -12.598 126 H SER 15 HN SER 15 -14.190 2.797 -9.500 127 HA SER 15 HA SER 15 -15.044 3.660 -7.082 128 1HB SER 15 HB1 SER 15 -14.756 5.058 -9.260 129 2HB SER 15 HB2 SER 15 -16.071 5.600 -8.197 130 HG SER 15 HG1 SER 15 -16.506 5.097 -10.565 131 H MET 16 HN MET 16 -17.180 2.230 -9.499 132 HA MET 16 HA MET 16 -19.572 2.638 -7.932 133 1HB MET 16 HB1 MET 16 -20.367 0.698 -9.541 134 2HB MET 16 HB2 MET 16 -18.796 0.923 -10.306 135 1HG MET 16 HG1 MET 16 -19.391 3.431 -10.326 136 2HG MET 16 HG2 MET 16 -21.026 2.920 -10.002 137 1HE MET 16 HE1 MET 16 -22.374 1.417 -13.107 138 2HE MET 16 HE2 MET 16 -22.634 2.058 -11.484 139 3HE MET 16 HE3 MET 16 -21.748 0.548 -11.704 140 H LEU 17 HN LEU 17 -17.595 -0.284 -8.590 141 HA LEU 17 HA LEU 17 -18.999 -1.878 -6.657 142 1HB LEU 17 HB1 LEU 17 -16.092 -2.281 -7.464 143 2HB LEU 17 HB2 LEU 17 -17.380 -2.597 -8.602 144 HG LEU 17 HG LEU 17 -16.630 -4.662 -7.384 145 1HD1 LEU 17 HD11 LEU 17 -16.188 -3.362 -5.216 146 2HD1 LEU 17 HD12 LEU 17 -16.930 -4.947 -5.055 147 3HD1 LEU 17 HD13 LEU 17 -17.913 -3.501 -4.908 148 1HD2 LEU 17 HD21 LEU 17 -18.763 -5.580 -7.175 149 2HD2 LEU 17 HD22 LEU 17 -19.098 -4.169 -8.163 150 3HD2 LEU 17 HD23 LEU 17 -19.445 -4.136 -6.445 151 H LYS 18 HN LYS 18 -15.772 -0.412 -6.599 152 HA LYS 18 HA LYS 18 -14.863 -0.875 -4.098 153 1HB LYS 18 HB1 LYS 18 -14.964 1.805 -5.555 154 2HB LYS 18 HB2 LYS 18 -13.667 0.618 -5.615 155 1HG LYS 18 HG1 LYS 18 -13.825 1.028 -2.930 156 2HG LYS 18 HG2 LYS 18 -14.304 2.613 -3.515 157 1HD LYS 18 HD1 LYS 18 -11.781 1.117 -4.304 158 2HD LYS 18 HD2 LYS 18 -11.857 2.506 -3.226 159 1HE LYS 18 HE1 LYS 18 -12.282 2.398 -6.203 160 2HE LYS 18 HE2 LYS 18 -11.314 3.523 -5.265 161 1HZ LYS 18 HZ1 LYS 18 -13.412 4.447 -6.186 162 2HZ LYS 18 HZ2 LYS 18 -13.243 4.624 -4.505 163 3HZ LYS 18 HZ3 LYS 18 -14.271 3.426 -5.134 164 H LYS 19 HN LYS 19 -17.266 1.666 -4.823 165 HA LYS 19 HA LYS 19 -17.586 2.352 -2.050 166 1HB LYS 19 HB1 LYS 19 -19.948 3.135 -3.306 167 2HB LYS 19 HB2 LYS 19 -18.815 3.088 -4.650 168 1HG LYS 19 HG1 LYS 19 -18.279 4.555 -2.043 169 2HG LYS 19 HG2 LYS 19 -18.917 5.325 -3.489 170 1HD LYS 19 HD1 LYS 19 -16.925 4.676 -4.759 171 2HD LYS 19 HD2 LYS 19 -16.296 3.806 -3.366 172 1HE LYS 19 HE1 LYS 19 -16.079 5.852 -2.093 173 2HE LYS 19 HE2 LYS 19 -16.943 6.767 -3.322 174 1HZ LYS 19 HZ1 LYS 19 -14.887 5.600 -4.677 175 2HZ LYS 19 HZ2 LYS 19 -14.185 6.054 -3.199 176 3HZ LYS 19 HZ3 LYS 19 -14.961 7.217 -4.164 177 H HIS 20 HN HIS 20 -19.283 0.231 -4.289 178 HA HIS 20 HA HIS 20 -21.519 -0.377 -2.660 179 1HB HIS 20 HB1 HIS 20 -19.991 -2.135 -4.626 180 2HB HIS 20 HB2 HIS 20 -21.382 -1.136 -5.019 181 HD1 HIS 20 HD1 HIS 20 -23.517 -2.405 -4.780 182 HD2 HIS 20 HD2 HIS 20 -20.552 -4.205 -2.654 183 HE1 HIS 20 HE1 HIS 20 -24.512 -4.454 -3.880 184 H ILE 21 HN ILE 21 -18.368 -2.042 -2.909 185 HA ILE 21 HA ILE 21 -19.018 -3.964 -0.917 186 HB ILE 21 HB ILE 21 -16.942 -3.779 -2.601 187 1HG1 ILE 21 HG11 ILE 21 -17.181 -5.111 0.085 188 2HG1 ILE 21 HG12 ILE 21 -15.673 -5.266 -0.808 189 1HG2 ILE 21 HG21 ILE 21 -16.105 -1.751 -1.162 190 2HG2 ILE 21 HG22 ILE 21 -14.923 -2.977 -1.559 191 3HG2 ILE 21 HG23 ILE 21 -15.654 -2.944 0.040 192 1HD1 ILE 21 HD1 ILE 21 -18.434 -5.980 -1.866 193 2HD1 ILE 21 HD2 ILE 21 -17.201 -7.125 -1.356 194 3HD1 ILE 21 HD3 ILE 21 -16.932 -6.116 -2.772 195 NH1 ARG 22 NH1 ARG 22 -13.064 4.001 1.517 196 NH2 ARG 22 NH2 ARG 22 -14.833 5.372 1.974 197 H ARG 22 HN ARG 22 -17.863 -0.680 -0.681 198 HA ARG 22 HA ARG 22 -17.104 -0.876 2.113 199 1HB ARG 22 HB1 ARG 22 -17.467 1.709 1.944 200 2HB ARG 22 HB2 ARG 22 -17.823 1.423 0.245 201 1HG ARG 22 HG1 ARG 22 -15.627 0.312 -0.028 202 2HG ARG 22 HG2 ARG 22 -15.270 0.604 1.671 203 1HD ARG 22 HD1 ARG 22 -15.997 2.874 -0.190 204 2HD ARG 22 HD2 ARG 22 -14.335 2.308 -0.039 205 HE ARG 22 HE ARG 22 -15.635 2.906 2.520 206 1HH1 ARG 22 HH11 ARG 22 -12.717 3.080 1.338 207 2HH1 ARG 22 HH12 ARG 22 -12.435 4.777 1.529 208 1HH2 ARG 22 HH21 ARG 22 -15.814 5.478 2.136 209 2HH2 ARG 22 HH22 ARG 22 -14.234 6.172 1.993 210 H THR 23 HN THR 23 -20.110 -0.575 0.447 211 HA THR 23 HA THR 23 -21.593 0.638 2.582 212 HB THR 23 HB THR 23 -22.759 -1.366 0.560 213 HG1 THR 23 HG1 THR 23 -21.334 0.011 -0.505 214 1HG2 THR 23 HG21 THR 23 -24.167 1.110 0.612 215 2HG2 THR 23 HG22 THR 23 -23.814 0.800 2.306 216 3HG2 THR 23 HG23 THR 23 -24.717 -0.379 1.369 217 H HIS 24 HN HIS 24 -20.521 -2.636 1.993 218 HA HIS 24 HA HIS 24 -22.383 -3.867 3.867 219 1HB HIS 24 HB1 HIS 24 -20.586 -5.766 3.758 220 2HB HIS 24 HB2 HIS 24 -19.758 -4.753 2.581 221 HD1 HIS 24 HD1 HIS 24 -23.271 -6.076 2.958 222 HD2 HIS 24 HD2 HIS 24 -20.537 -5.292 0.050 223 HE1 HIS 24 HE1 HIS 24 -24.332 -6.770 0.835 224 H THR 25 HN THR 25 -20.500 -1.534 4.627 225 HA THR 25 HA THR 25 -19.034 -2.812 6.862 226 HB THR 25 HB THR 25 -18.153 -0.401 7.115 227 HG1 THR 25 HG1 THR 25 -18.855 0.763 5.074 228 1HG2 THR 25 HG21 THR 25 -18.068 -1.808 4.411 229 2HG2 THR 25 HG22 THR 25 -16.761 -1.660 5.580 230 3HG2 THR 25 HG23 THR 25 -17.255 -0.262 4.633 231 H ASP 26 HN ASP 26 -20.002 0.380 7.334 232 HA ASP 26 HA ASP 26 -22.477 -0.223 8.752 233 1HB ASP 26 HB1 ASP 26 -21.393 0.824 10.914 234 2HB ASP 26 HB2 ASP 26 -19.856 0.385 10.174 235 H VAL 27 HN VAL 27 -21.444 1.431 6.623 236 HA VAL 27 HA VAL 27 -21.783 4.162 7.759 237 HB VAL 27 HB VAL 27 -19.819 3.731 6.310 238 1HG1 VAL 27 HG11 VAL 27 -20.906 1.892 4.993 239 2HG1 VAL 27 HG12 VAL 27 -20.070 3.063 3.987 240 3HG1 VAL 27 HG13 VAL 27 -21.823 3.106 4.120 241 1HG2 VAL 27 HG21 VAL 27 -21.671 5.818 6.020 242 2HG2 VAL 27 HG22 VAL 27 -21.278 5.346 4.370 243 3HG2 VAL 27 HG23 VAL 27 -19.997 5.828 5.476 244 NH1 ARG 28 NH1 ARG 28 -26.947 -2.128 2.930 245 NH2 ARG 28 NH2 ARG 28 -25.144 -3.170 3.873 246 H ARG 28 HN ARG 28 -24.082 2.640 7.685 247 HA ARG 28 HA ARG 28 -25.636 3.846 5.436 248 1HB ARG 28 HB1 ARG 28 -27.272 1.954 6.012 249 2HB ARG 28 HB2 ARG 28 -26.009 1.302 7.046 250 1HG ARG 28 HG1 ARG 28 -24.534 1.580 4.860 251 2HG ARG 28 HG2 ARG 28 -26.099 1.516 4.056 252 1HD ARG 28 HD1 ARG 28 -26.567 -0.589 5.452 253 2HD ARG 28 HD2 ARG 28 -24.853 -0.576 5.861 254 HE ARG 28 HE ARG 28 -24.674 -0.486 3.185 255 1HH1 ARG 28 HH11 ARG 28 -27.416 -1.277 2.689 256 2HH1 ARG 28 HH12 ARG 28 -27.363 -3.009 2.705 257 1HH2 ARG 28 HH21 ARG 28 -24.262 -3.100 4.337 258 2HH2 ARG 28 HH22 ARG 28 -25.530 -4.068 3.662 259 HA PRO 29 HA PRO 29 -27.115 5.856 9.339 260 1HB PRO 29 HB1 PRO 29 -26.598 8.061 8.949 261 2HB PRO 29 HB2 PRO 29 -27.875 8.159 7.738 262 1HG PRO 29 HG1 PRO 29 -24.996 8.020 7.307 263 2HG PRO 29 HG2 PRO 29 -26.267 8.240 6.103 264 1HD PRO 29 HD1 PRO 29 -26.092 6.066 5.444 265 2HD PRO 29 HD2 PRO 29 -24.698 5.893 6.522 266 OH TYR 30 OH TYR 30 -29.713 10.741 3.076 267 H TYR 30 HN TYR 30 -28.588 5.676 6.138 268 HA TYR 30 HA TYR 30 -31.272 6.289 7.047 269 1HB TYR 30 HB1 TYR 30 -31.905 5.281 4.793 270 2HB TYR 30 HB2 TYR 30 -30.220 4.819 4.578 271 HD1 TYR 30 HD1 TYR 30 -32.336 7.815 5.325 272 HD2 TYR 30 HD2 TYR 30 -28.733 6.354 3.601 273 HE1 TYR 30 HE1 TYR 30 -31.835 10.057 4.469 274 HE2 TYR 30 HE2 TYR 30 -28.231 8.596 2.748 275 HH TYR 30 HH TYR 30 -28.766 10.877 3.142 276 H HIS 31 HN HIS 31 -32.471 5.025 8.325 277 HA HIS 31 HA HIS 31 -32.208 2.047 8.043 278 1HB HIS 31 HB1 HIS 31 -32.577 1.884 10.497 279 2HB HIS 31 HB2 HIS 31 -32.717 3.635 10.606 280 HD1 HIS 31 HD1 HIS 31 -30.157 1.144 9.612 281 HD2 HIS 31 HD2 HIS 31 -30.348 4.944 11.009 282 HE1 HIS 31 HE1 HIS 31 -27.850 1.768 10.037 283 H CYS 32 HN CYS 32 -34.094 0.885 7.929 284 HA CYS 32 HA CYS 32 -36.527 2.317 7.367 285 1HB CYS 32 HB1 CYS 32 -35.859 -0.586 7.942 286 2HB CYS 32 HB2 CYS 32 -36.334 0.127 6.423 287 H THR 33 HN THR 33 -38.230 2.843 8.645 288 HA THR 33 HA THR 33 -37.832 3.046 11.472 289 HB THR 33 HB THR 33 -40.510 3.125 9.954 290 HG1 THR 33 HG1 THR 33 -39.743 5.467 10.112 291 1HG2 THR 33 HG21 THR 33 -41.284 4.384 11.810 292 2HG2 THR 33 HG22 THR 33 -39.673 4.985 12.186 293 3HG2 THR 33 HG23 THR 33 -40.135 3.355 12.660 294 OH TYR 34 OH TYR 34 -44.674 2.564 8.765 295 H TYR 34 HN TYR 34 -39.074 0.524 9.486 296 HA TYR 34 HA TYR 34 -40.249 -0.861 11.838 297 1HB TYR 34 HB1 TYR 34 -41.289 -2.350 10.194 298 2HB TYR 34 HB2 TYR 34 -40.277 -1.714 8.906 299 HD1 TYR 34 HD2 TYR 34 -40.494 0.870 8.437 300 HD2 TYR 34 HD1 TYR 34 -43.402 -1.386 10.574 301 HE1 TYR 34 HE2 TYR 34 -42.163 2.602 7.993 302 HE2 TYR 34 HE1 TYR 34 -45.077 0.346 10.109 303 HH TYR 34 HH TYR 34 -44.239 3.418 8.812 304 H CYS 35 HN CYS 35 -38.533 -2.151 9.001 305 HA CYS 35 HA CYS 35 -37.393 -4.349 10.392 306 1HB CYS 35 HB1 CYS 35 -35.925 -4.592 8.478 307 2HB CYS 35 HB2 CYS 35 -36.078 -2.911 8.066 308 H ASN 36 HN ASN 36 -34.731 -4.321 9.786 309 HA ASN 36 HA ASN 36 -33.618 -2.178 11.546 310 1HB ASN 36 HB1 ASN 36 -32.920 -5.161 11.434 311 2HB ASN 36 HB2 ASN 36 -33.692 -4.332 12.782 312 1HD2 ASN 36 HD21 ASN 36 -32.366 -2.736 13.986 313 2HD2 ASN 36 HD22 ASN 36 -30.672 -2.833 13.945 314 H PHE 37 HN PHE 37 -33.760 -3.362 8.540 315 HA PHE 37 HA PHE 37 -30.990 -3.513 7.772 316 1HB PHE 37 HB1 PHE 37 -33.227 -2.644 5.913 317 2HB PHE 37 HB2 PHE 37 -33.176 -4.300 6.511 318 HD1 PHE 37 HD2 PHE 37 -31.030 -5.652 6.125 319 HD2 PHE 37 HD1 PHE 37 -31.792 -1.958 4.145 320 HE1 PHE 37 HE2 PHE 37 -29.333 -6.203 4.437 321 HE2 PHE 37 HE1 PHE 37 -30.094 -2.515 2.460 322 HZ PHE 37 HZ PHE 37 -28.865 -4.635 2.606 323 H SER 38 HN SER 38 -29.905 -1.971 6.353 324 HA SER 38 HA SER 38 -30.863 0.810 6.633 325 1HB SER 38 HB1 SER 38 -27.976 0.116 7.258 326 2HB SER 38 HB2 SER 38 -29.206 0.071 8.529 327 HG SER 38 HG1 SER 38 -29.760 2.183 8.027 328 H PHE 39 HN PHE 39 -30.102 2.234 5.096 329 HA PHE 39 HA PHE 39 -28.572 0.982 2.848 330 1HB PHE 39 HB1 PHE 39 -30.027 2.092 1.328 331 2HB PHE 39 HB2 PHE 39 -30.539 3.263 2.542 332 HD1 PHE 39 HD2 PHE 39 -31.948 2.432 4.506 333 HD2 PHE 39 HD1 PHE 39 -31.229 0.041 1.055 334 HE1 PHE 39 HE2 PHE 39 -33.877 1.022 5.076 335 HE2 PHE 39 HE1 PHE 39 -33.162 -1.361 1.628 336 HZ PHE 39 HZ PHE 39 -34.488 -0.869 3.637 337 H LYS 40 HN LYS 40 -27.308 2.445 1.564 338 HA LYS 40 HA LYS 40 -25.989 4.478 3.219 339 1HB LYS 40 HB1 LYS 40 -25.474 3.259 0.469 340 2HB LYS 40 HB2 LYS 40 -24.574 2.973 1.941 341 1HG LYS 40 HG1 LYS 40 -24.642 5.603 0.409 342 2HG LYS 40 HG2 LYS 40 -23.312 4.463 0.438 343 1HD LYS 40 HD1 LYS 40 -23.245 4.746 2.957 344 2HD LYS 40 HD2 LYS 40 -24.370 6.083 2.766 345 1HE LYS 40 HE1 LYS 40 -21.638 5.861 1.464 346 2HE LYS 40 HE2 LYS 40 -22.054 6.919 2.805 347 1HZ LYS 40 HZ1 LYS 40 -23.809 7.848 1.245 348 2HZ LYS 40 HZ2 LYS 40 -22.959 7.066 0.000 349 3HZ LYS 40 HZ3 LYS 40 -22.191 8.259 0.933 350 H THR 41 HN THR 41 -28.388 4.362 0.786 351 HA THR 41 HA THR 41 -28.189 7.336 0.498 352 HB THR 41 HB THR 41 -28.642 7.154 -1.878 353 HG1 THR 41 HG1 THR 41 -29.575 5.312 -2.653 354 1HG2 THR 41 HG21 THR 41 -27.126 4.547 -1.300 355 2HG2 THR 41 HG22 THR 41 -26.333 6.113 -1.165 356 3HG2 THR 41 HG23 THR 41 -26.959 5.575 -2.720 357 H LYS 42 HN LYS 42 -30.147 8.412 0.046 358 HA LYS 42 HA LYS 42 -32.370 7.327 1.522 359 1HB LYS 42 HB1 LYS 42 -32.382 9.765 -0.304 360 2HB LYS 42 HB2 LYS 42 -31.675 9.809 1.305 361 1HG LYS 42 HG1 LYS 42 -33.770 9.358 2.353 362 2HG LYS 42 HG2 LYS 42 -34.509 8.858 0.837 363 1HD LYS 42 HD1 LYS 42 -33.385 11.607 0.883 364 2HD LYS 42 HD2 LYS 42 -34.812 11.346 1.879 365 1HE LYS 42 HE1 LYS 42 -35.249 12.038 -0.550 366 2HE LYS 42 HE2 LYS 42 -36.103 10.606 0.009 367 1HZ LYS 42 HZ1 LYS 42 -35.120 10.259 -2.161 368 2HZ LYS 42 HZ2 LYS 42 -34.409 9.230 -1.012 369 3HZ LYS 42 HZ3 LYS 42 -33.577 10.612 -1.546 370 H GLY 43 HN GLY 43 -31.396 7.400 -1.781 371 1HA GLY 43 HA1 GLY 43 -32.398 6.474 -3.695 372 2HA GLY 43 HA2 GLY 43 -33.901 7.171 -3.094 373 H ASN 44 HN ASN 44 -31.732 4.565 -2.019 374 HA ASN 44 HA ASN 44 -33.478 2.436 -2.598 375 1HB ASN 44 HB1 ASN 44 -32.131 1.270 -0.707 376 2HB ASN 44 HB2 ASN 44 -31.291 2.805 -0.512 377 1HD2 ASN 44 HD21 ASN 44 -29.256 1.982 -1.317 378 2HD2 ASN 44 HD22 ASN 44 -29.036 1.570 -2.949 379 H LEU 45 HN LEU 45 -33.327 4.589 0.166 380 HA LEU 45 HA LEU 45 -34.956 3.126 1.963 381 1HB LEU 45 HB1 LEU 45 -35.147 6.142 1.616 382 2HB LEU 45 HB2 LEU 45 -33.662 5.428 2.216 383 HG LEU 45 HG LEU 45 -35.174 6.152 4.065 384 1HD1 LEU 45 HD11 LEU 45 -37.326 5.207 4.415 385 2HD1 LEU 45 HD12 LEU 45 -37.069 3.935 3.231 386 3HD1 LEU 45 HD13 LEU 45 -37.290 5.597 2.701 387 1HD2 LEU 45 HD21 LEU 45 -34.596 4.366 5.399 388 2HD2 LEU 45 HD22 LEU 45 -33.671 3.913 3.976 389 3HD2 LEU 45 HD23 LEU 45 -35.230 3.169 4.280 390 H THR 46 HN THR 46 -35.961 5.790 -0.188 391 HA THR 46 HA THR 46 -38.734 5.471 0.156 392 HB THR 46 HB THR 46 -37.306 6.231 -2.465 393 HG1 THR 46 HG1 THR 46 -37.848 8.349 -1.229 394 1HG2 THR 46 HG21 THR 46 -39.882 6.039 -2.475 395 2HG2 THR 46 HG22 THR 46 -39.303 7.678 -2.761 396 3HG2 THR 46 HG23 THR 46 -39.911 7.223 -1.172 397 H LYS 47 HN LYS 47 -36.479 3.699 -1.845 398 HA LYS 47 HA LYS 47 -38.455 2.321 -3.420 399 1HB LYS 47 HB1 LYS 47 -35.747 1.171 -2.649 400 2HB LYS 47 HB2 LYS 47 -35.860 2.530 -3.763 401 1HG LYS 47 HG1 LYS 47 -37.640 0.186 -4.276 402 2HG LYS 47 HG2 LYS 47 -35.927 -0.011 -4.626 403 1HD LYS 47 HD1 LYS 47 -35.941 1.905 -6.111 404 2HD LYS 47 HD2 LYS 47 -37.584 2.321 -5.634 405 1HE LYS 47 HE1 LYS 47 -37.212 0.991 -7.861 406 2HE LYS 47 HE2 LYS 47 -38.517 0.502 -6.788 407 1HZ LYS 47 HZ1 LYS 47 -37.162 -1.364 -7.569 408 2HZ LYS 47 HZ2 LYS 47 -37.139 -1.211 -5.878 409 3HZ LYS 47 HZ3 LYS 47 -35.805 -0.697 -6.795 410 H HIS 48 HN HIS 48 -36.708 1.443 -0.448 411 HA HIS 48 HA HIS 48 -37.858 -1.158 -0.189 412 1HB HIS 48 HB1 HIS 48 -36.800 0.823 1.887 413 2HB HIS 48 HB2 HIS 48 -35.930 -0.536 1.181 414 HD1 HIS 48 HD1 HIS 48 -37.625 -2.824 1.615 415 HD2 HIS 48 HD2 HIS 48 -37.588 0.139 4.430 416 HE1 HIS 48 HE1 HIS 48 -38.444 -3.871 3.669 417 H MET 49 HN MET 49 -38.936 2.013 0.937 418 HA MET 49 HA MET 49 -41.232 0.886 2.343 419 1HB MET 49 HB1 MET 49 -41.905 3.437 2.272 420 2HB MET 49 HB2 MET 49 -40.290 3.681 1.616 421 1HG MET 49 HG1 MET 49 -39.392 2.385 3.577 422 2HG MET 49 HG2 MET 49 -41.004 2.370 4.243 423 1HE MET 49 HE1 MET 49 -38.269 3.788 6.026 424 2HE MET 49 HE2 MET 49 -39.698 2.763 6.134 425 3HE MET 49 HE3 MET 49 -39.703 4.361 6.875 426 H LYS 50 HN LYS 50 -40.515 1.724 -0.885 427 HA LYS 50 HA LYS 50 -43.111 2.501 -1.793 428 1HB LYS 50 HB1 LYS 50 -41.040 0.891 -3.357 429 2HB LYS 50 HB2 LYS 50 -40.893 2.623 -3.086 430 1HG LYS 50 HG1 LYS 50 -43.000 3.035 -4.238 431 2HG LYS 50 HG2 LYS 50 -43.300 1.307 -4.385 432 1HD LYS 50 HD1 LYS 50 -41.391 1.034 -5.855 433 2HD LYS 50 HD2 LYS 50 -40.882 2.696 -5.579 434 1HE LYS 50 HE1 LYS 50 -43.552 1.940 -6.803 435 2HE LYS 50 HE2 LYS 50 -42.127 2.346 -7.751 436 1HZ LYS 50 HZ1 LYS 50 -43.980 4.075 -6.565 437 2HZ LYS 50 HZ2 LYS 50 -42.625 4.465 -7.513 438 3HZ LYS 50 HZ3 LYS 50 -42.473 4.334 -5.827 439 H SER 51 HN SER 51 -41.569 -0.663 -1.451 440 HA SER 51 HA SER 51 -43.547 -2.236 -2.712 441 1HB SER 51 HB1 SER 51 -41.910 -2.911 -0.203 442 2HB SER 51 HB2 SER 51 -41.367 -3.156 -1.875 443 HG SER 51 HG1 SER 51 -43.489 -4.382 -0.481 444 H LYS 52 HN LYS 52 -44.893 -3.877 -1.304 445 HA LYS 52 HA LYS 52 -46.716 -2.168 0.281 446 1HB LYS 52 HB1 LYS 52 -48.015 -3.480 -1.164 447 2HB LYS 52 HB2 LYS 52 -47.985 -4.546 0.236 448 1HG LYS 52 HG1 LYS 52 -45.904 -5.617 -0.764 449 2HG LYS 52 HG2 LYS 52 -46.224 -4.693 -2.226 450 1HD LYS 52 HD1 LYS 52 -48.528 -5.709 -2.288 451 2HD LYS 52 HD2 LYS 52 -48.066 -6.729 -0.930 452 1HE LYS 52 HE1 LYS 52 -46.958 -6.728 -3.738 453 2HE LYS 52 HE2 LYS 52 -47.623 -8.077 -2.826 454 1HZ LYS 52 HZ1 LYS 52 -44.987 -6.807 -2.609 455 2HZ LYS 52 HZ2 LYS 52 -45.392 -8.456 -2.657 456 3HZ LYS 52 HZ3 LYS 52 -45.658 -7.558 -1.241 457 H ALA 53 HN ALA 53 -44.041 -3.834 0.996 458 HA ALA 53 HA ALA 53 -44.516 -5.649 3.024 459 1HB ALA 53 HB1 ALA 53 -42.437 -4.651 4.139 460 2HB ALA 53 HB2 ALA 53 -42.510 -3.343 2.962 461 3HB ALA 53 HB3 ALA 53 -42.230 -4.996 2.425 462 H HIS 54 HN HIS 54 -43.511 -2.540 4.267 463 HA HIS 54 HA HIS 54 -46.047 -2.313 5.801 464 1HB HIS 54 HB1 HIS 54 -44.788 -3.382 7.471 465 2HB HIS 54 HB2 HIS 54 -44.359 -1.707 7.791 466 HD1 HIS 54 HD1 HIS 54 -42.908 -4.830 6.626 467 HD2 HIS 54 HD2 HIS 54 -41.722 -0.923 6.837 468 HE1 HIS 54 HE1 HIS 54 -40.473 -4.870 6.368 469 H SER 55 HN SER 55 -46.196 -0.582 4.162 470 HA SER 55 HA SER 55 -45.621 1.949 5.360 471 1HB SER 55 HB1 SER 55 -43.831 1.045 3.042 472 2HB SER 55 HB2 SER 55 -43.314 1.644 4.630 473 HG SER 55 HG1 SER 55 -43.783 3.629 4.051 474 H LYS 56 HN LYS 56 -47.667 2.555 4.862 475 HA LYS 56 HA LYS 56 -49.139 2.022 2.554 476 1HB LYS 56 HB1 LYS 56 -50.294 4.257 3.070 477 2HB LYS 56 HB2 LYS 56 -49.067 4.523 4.303 478 1HG LYS 56 HG1 LYS 56 -50.482 3.397 5.684 479 2HG LYS 56 HG2 LYS 56 -49.897 1.954 4.865 480 1HD LYS 56 HD1 LYS 56 -51.728 2.165 3.202 481 2HD LYS 56 HD2 LYS 56 -52.321 3.591 4.046 482 1HE LYS 56 HE1 LYS 56 -53.539 1.496 4.694 483 2HE LYS 56 HE2 LYS 56 -52.752 2.281 6.057 484 1HZ LYS 56 HZ1 LYS 56 -50.922 0.743 5.867 485 2HZ LYS 56 HZ2 LYS 56 -51.641 0.002 4.519 486 3HZ LYS 56 HZ3 LYS 56 -52.382 -0.105 6.044 487 H LYS 57 HN LYS 57 -47.812 5.270 3.032 488 HA LYS 57 HA LYS 57 -47.787 5.831 0.244 489 1HB LYS 57 HB1 LYS 57 -46.076 7.148 2.402 490 2HB LYS 57 HB2 LYS 57 -47.777 7.528 2.153 491 1HG LYS 57 HG1 LYS 57 -47.176 8.033 -0.281 492 2HG LYS 57 HG2 LYS 57 -45.488 7.932 0.205 493 1HD LYS 57 HD1 LYS 57 -45.760 9.757 1.774 494 2HD LYS 57 HD2 LYS 57 -47.505 9.763 1.544 495 1HE LYS 57 HE1 LYS 57 -45.457 10.365 -0.615 496 2HE LYS 57 HE2 LYS 57 -46.408 11.571 0.242 497 1HZ LYS 57 HZ1 LYS 57 -47.929 11.293 -1.319 498 2HZ LYS 57 HZ2 LYS 57 -48.235 9.750 -0.676 499 3HZ LYS 57 LYS 57 -47.140 9.932 -1.961 Start of MODEL 38 Raw file had 499 H/Q atoms Start of MODEL 38 1 1H LYS 1 HT1 LYS 1 -9.951 -11.318 -7.622 2 2H LYS 1 HT2 LYS 1 -10.235 -9.796 -6.921 3 3H LYS 1 HT3 LYS 1 -10.580 -10.053 -8.565 4 HA LYS 1 HA LYS 1 -12.490 -11.163 -8.179 5 1HB LYS 1 HB1 LYS 1 -11.606 -12.994 -6.851 6 2HB LYS 1 HB2 LYS 1 -12.878 -12.269 -5.874 7 1HG LYS 1 HG1 LYS 1 -10.863 -10.764 -4.990 8 2HG LYS 1 HG2 LYS 1 -9.903 -12.141 -5.516 9 1HD LYS 1 HD1 LYS 1 -11.309 -13.647 -4.144 10 2HD LYS 1 HD2 LYS 1 -12.269 -12.270 -3.616 11 1HE LYS 1 HE1 LYS 1 -10.170 -11.234 -2.698 12 2HE LYS 1 HE2 LYS 1 -9.312 -12.716 -3.103 13 1HZ LYS 1 HZ1 LYS 1 -10.382 -12.325 -0.751 14 2HZ LYS 1 HZ2 LYS 1 -10.318 -13.868 -1.458 15 3HZ LYS 1 HZ3 LYS 1 -11.753 -12.963 -1.525 16 OH TYR 2 OH TYR 2 -7.262 -6.354 -5.735 17 H TYR 2 HN TYR 2 -12.373 -8.563 -8.126 18 HA TYR 2 HA TYR 2 -13.423 -7.576 -5.532 19 1HB TYR 2 HB1 TYR 2 -13.242 -5.353 -6.581 20 2HB TYR 2 HB2 TYR 2 -12.891 -6.084 -8.145 21 HD1 TYR 2 HD2 TYR 2 -11.616 -5.716 -4.675 22 HD2 TYR 2 HD1 TYR 2 -10.671 -6.790 -8.679 23 HE1 TYR 2 HE2 TYR 2 -9.235 -5.762 -4.101 24 HE2 TYR 2 HE1 TYR 2 -8.291 -6.861 -8.099 25 HH TYR 2 HH TYR 2 -6.953 -5.448 -5.652 26 H ILE 3 HN ILE 3 -15.286 -9.130 -6.089 27 HA ILE 3 HA ILE 3 -17.420 -7.491 -7.378 28 HB ILE 3 HB ILE 3 -17.280 -10.530 -7.568 29 1HG1 ILE 3 HG11 ILE 3 -15.265 -9.679 -8.651 30 2HG1 ILE 3 HG12 ILE 3 -16.201 -8.475 -9.529 31 1HG2 ILE 3 HG21 ILE 3 -18.982 -10.236 -9.242 32 2HG2 ILE 3 HG22 ILE 3 -18.593 -8.534 -9.462 33 3HG2 ILE 3 HG23 ILE 3 -19.419 -9.065 -8.000 34 1HD1 ILE 3 HD1 ILE 3 -17.272 -10.116 -10.868 35 2HD1 ILE 3 HD2 ILE 3 -16.837 -11.421 -9.769 36 3HD1 ILE 3 HD3 ILE 3 -15.603 -10.671 -10.777 37 H CYS 4 HN CYS 4 -18.662 -6.938 -5.663 38 HA CYS 4 HA CYS 4 -18.805 -8.459 -3.271 39 1HB CYS 4 HB1 CYS 4 -20.797 -6.508 -4.461 40 2HB CYS 4 HB2 CYS 4 -19.532 -6.125 -3.326 41 H GLU 5 HN GLU 5 -19.406 -10.493 -3.243 42 HA GLU 5 HA GLU 5 -21.161 -11.747 -5.063 43 1HB GLU 5 HB1 GLU 5 -21.393 -13.443 -3.057 44 2HB GLU 5 HB2 GLU 5 -20.223 -12.404 -2.253 45 1HG GLU 5 HG1 GLU 5 -18.814 -12.640 -4.418 46 2HG GLU 5 HG2 GLU 5 -19.876 -13.993 -4.802 47 H GLU 6 HN GLU 6 -21.863 -9.736 -2.356 48 HA GLU 6 HA GLU 6 -24.542 -10.771 -1.966 49 1HB GLU 6 HB1 GLU 6 -23.606 -8.044 -1.057 50 2HB GLU 6 HB2 GLU 6 -22.970 -9.485 -0.278 51 1HG GLU 6 HG1 GLU 6 -25.945 -9.063 -0.629 52 2HG GLU 6 HG2 GLU 6 -25.082 -8.426 0.768 53 H CYS 7 HN CYS 7 -23.408 -7.525 -2.934 54 HA CYS 7 HA CYS 7 -25.994 -7.019 -4.219 55 1HB CYS 7 HB1 CYS 7 -25.112 -4.833 -4.691 56 2HB CYS 7 HB2 CYS 7 -23.468 -5.375 -4.524 57 H GLY 8 HN GLY 8 -22.620 -7.120 -5.321 58 1HA GLY 8 HA1 GLY 8 -23.612 -7.942 -8.024 59 2HA GLY 8 HA2 GLY 8 -22.121 -8.556 -7.318 60 H ILE 9 HN ILE 9 -21.786 -5.682 -6.212 61 HA ILE 9 HA ILE 9 -21.454 -3.947 -8.425 62 HB ILE 9 HB ILE 9 -21.398 -3.428 -5.863 63 1HG1 ILE 9 HG11 ILE 9 -19.745 -2.195 -8.036 64 2HG1 ILE 9 HG12 ILE 9 -19.542 -1.594 -6.395 65 1HG2 ILE 9 HG21 ILE 9 -19.368 -5.065 -5.597 66 2HG2 ILE 9 HG22 ILE 9 -19.235 -3.514 -4.793 67 3HG2 ILE 9 HG23 ILE 9 -18.393 -3.784 -6.310 68 1HD1 ILE 9 HD1 ILE 9 -21.777 -0.879 -6.242 69 2HD1 ILE 9 HD2 ILE 9 -22.309 -1.958 -7.528 70 3HD1 ILE 9 HD3 ILE 9 -21.383 -0.513 -7.918 71 NH1 ARG 10 NH1 ARG 10 -17.565 -5.579 -16.439 72 NH2 ARG 10 NH2 ARG 10 -18.563 -7.617 -16.167 73 H ARG 10 HN ARG 10 -19.965 -3.828 -9.967 74 HA ARG 10 HA ARG 10 -17.668 -5.707 -9.829 75 1HB ARG 10 HB1 ARG 10 -18.785 -4.046 -12.139 76 2HB ARG 10 HB2 ARG 10 -19.170 -5.733 -11.835 77 1HG ARG 10 HG1 ARG 10 -16.372 -5.660 -11.789 78 2HG ARG 10 HG2 ARG 10 -16.798 -4.566 -13.098 79 1HD ARG 10 HD1 ARG 10 -17.878 -7.396 -12.812 80 2HD ARG 10 HD2 ARG 10 -16.548 -6.937 -13.871 81 HE ARG 10 HE ARG 10 -19.245 -5.692 -14.201 82 1HH1 ARG 10 HH11 ARG 10 -17.289 -4.702 -16.047 83 2HH1 ARG 10 HH12 ARG 10 -17.369 -5.783 -17.399 84 1HH2 ARG 10 HH21 ARG 10 -19.035 -8.268 -15.572 85 2HH2 ARG 10 HH22 ARG 10 -18.383 -7.854 -17.122 86 H ABA 11 HN ABU 11 -16.316 -4.498 -8.455 87 HA ABA 11 HA ABU 11 -15.288 -1.937 -9.635 88 1HB ABA 11 HB1 ABU 11 -14.436 -1.616 -7.202 89 2HB ABA 11 HB2 ABU 11 -15.481 -2.959 -6.779 90 1HG ABA 11 HG1 ABU 11 -16.617 -0.758 -6.473 91 2HG ABA 11 HG2 ABU 11 -17.433 -1.772 -7.659 92 3HG ABA 11 HG3 ABU 11 -16.412 -0.443 -8.194 93 H LYS 12 HN LYS 12 -14.017 -3.420 -11.001 94 HA LYS 12 HA LYS 12 -12.133 -5.276 -10.325 95 1HB LYS 12 HB1 LYS 12 -10.651 -4.067 -12.119 96 2HB LYS 12 HB2 LYS 12 -11.986 -2.926 -12.240 97 1HG LYS 12 HG1 LYS 12 -13.456 -5.098 -12.468 98 2HG LYS 12 HG2 LYS 12 -11.934 -5.856 -12.923 99 1HD LYS 12 HD1 LYS 12 -13.132 -3.391 -14.233 100 2HD LYS 12 HD2 LYS 12 -13.133 -5.012 -14.918 101 1HE LYS 12 HE1 LYS 12 -10.735 -3.254 -14.340 102 2HE LYS 12 HE2 LYS 12 -11.266 -3.860 -15.902 103 1HZ LYS 12 HZ1 LYS 12 -10.769 -6.099 -15.178 104 2HZ LYS 12 HZ2 LYS 12 -10.274 -5.526 -13.658 105 3HZ LYS 12 HZ3 LYS 12 -9.393 -5.111 -15.048 106 H LYS 13 HN LYS 13 -11.958 -1.874 -9.493 107 HA LYS 13 HA LYS 13 -9.175 -2.214 -8.581 108 1HB LYS 13 HB1 LYS 13 -9.401 0.268 -8.048 109 2HB LYS 13 HB2 LYS 13 -11.057 0.184 -8.637 110 1HG LYS 13 HG1 LYS 13 -10.133 -0.746 -10.811 111 2HG LYS 13 HG2 LYS 13 -8.523 -0.371 -10.216 112 1HD LYS 13 HD1 LYS 13 -10.775 1.656 -10.491 113 2HD LYS 13 HD2 LYS 13 -9.482 1.445 -11.664 114 1HE LYS 13 HE1 LYS 13 -8.059 1.706 -9.319 115 2HE LYS 13 HE2 LYS 13 -9.426 2.770 -9.024 116 1HZ LYS 13 HZ1 LYS 13 -7.193 3.351 -10.483 117 2HZ LYS 13 HZ2 LYS 13 -8.634 4.247 -10.447 118 3HZ LYS 13 HZ3 LYS 13 -8.388 3.082 -11.658 119 HA PRO 14 HA PRO 14 -10.248 -3.010 -4.345 120 1HB PRO 14 HB1 PRO 14 -8.106 -3.166 -3.507 121 2HB PRO 14 HB2 PRO 14 -8.165 -1.439 -3.151 122 1HG PRO 14 HG1 PRO 14 -6.484 -2.682 -5.064 123 2HG PRO 14 HG2 PRO 14 -6.788 -0.948 -4.928 124 1HD PRO 14 HD1 PRO 14 -7.807 -1.074 -6.979 125 2HD PRO 14 HD2 PRO 14 -7.773 -2.846 -6.934 126 H SER 15 HN SER 15 -8.793 0.241 -4.258 127 HA SER 15 HA SER 15 -10.165 1.506 -2.313 128 1HB SER 15 HB1 SER 15 -8.608 2.658 -3.946 129 2HB SER 15 HB2 SER 15 -10.090 3.604 -3.706 130 HG SER 15 HG1 SER 15 -10.945 2.697 -5.557 131 H MET 16 HN MET 16 -11.562 0.974 -5.538 132 HA MET 16 HA MET 16 -14.079 2.194 -4.878 133 1HB MET 16 HB1 MET 16 -14.817 0.679 -6.908 134 2HB MET 16 HB2 MET 16 -13.107 0.280 -7.024 135 1HG MET 16 HG1 MET 16 -12.575 2.693 -7.121 136 2HG MET 16 HG2 MET 16 -14.275 3.068 -7.054 137 1HE MET 16 HE1 MET 16 -13.156 4.682 -9.009 138 2HE MET 16 HE2 MET 16 -14.888 4.362 -8.941 139 3HE MET 16 HE3 MET 16 -14.045 4.328 -10.491 140 H LEU 17 HN LEU 17 -13.054 -1.231 -5.022 141 HA LEU 17 HA LEU 17 -15.582 -2.202 -4.026 142 1HB LEU 17 HB1 LEU 17 -12.883 -3.614 -3.764 143 2HB LEU 17 HB2 LEU 17 -13.691 -3.487 -5.310 144 HG LEU 17 HG LEU 17 -14.065 -5.678 -3.991 145 1HD1 LEU 17 HD11 LEU 17 -16.001 -3.984 -2.417 146 2HD1 LEU 17 HD12 LEU 17 -14.440 -4.518 -1.796 147 3HD1 LEU 17 HD13 LEU 17 -15.672 -5.696 -2.222 148 1HD2 LEU 17 HD21 LEU 17 -15.524 -5.089 -5.874 149 2HD2 LEU 17 HD22 LEU 17 -16.524 -4.099 -4.824 150 3HD2 LEU 17 HD23 LEU 17 -16.461 -5.838 -4.592 151 H LYS 18 HN LYS 18 -12.372 -2.023 -2.499 152 HA LYS 18 HA LYS 18 -12.783 -2.713 0.074 153 1HB LYS 18 HB1 LYS 18 -11.328 -0.690 0.731 154 2HB LYS 18 HB2 LYS 18 -11.439 -0.171 -0.946 155 1HG LYS 18 HG1 LYS 18 -10.473 -2.331 -1.680 156 2HG LYS 18 HG2 LYS 18 -10.351 -2.848 -0.004 157 1HD LYS 18 HD1 LYS 18 -8.980 -0.404 -1.183 158 2HD LYS 18 HD2 LYS 18 -8.189 -1.942 -0.855 159 1HE LYS 18 HE1 LYS 18 -7.696 -0.868 1.132 160 2HE LYS 18 HE2 LYS 18 -9.268 -1.523 1.575 161 1HZ LYS 18 HZ1 LYS 18 -8.481 1.215 1.049 162 2HZ LYS 18 HZ2 LYS 18 -9.689 0.604 2.076 163 3HZ LYS 18 HZ3 LYS 18 -9.987 0.756 0.411 164 H LYS 19 HN LYS 19 -13.659 0.517 -1.142 165 HA LYS 19 HA LYS 19 -14.901 1.318 1.296 166 1HB LYS 19 HB1 LYS 19 -16.161 2.844 -0.594 167 2HB LYS 19 HB2 LYS 19 -14.776 2.292 -1.530 168 1HG LYS 19 HG1 LYS 19 -14.691 3.722 1.148 169 2HG LYS 19 HG2 LYS 19 -14.195 4.385 -0.405 170 1HD LYS 19 HD1 LYS 19 -12.666 2.172 -0.407 171 2HD LYS 19 HD2 LYS 19 -12.814 2.389 1.334 172 1HE LYS 19 HE1 LYS 19 -12.119 4.802 1.004 173 2HE LYS 19 HE2 LYS 19 -11.776 4.410 -0.676 174 1HZ LYS 19 HZ1 LYS 19 -10.246 2.675 0.135 175 2HZ LYS 19 HZ2 LYS 19 -10.502 3.223 1.722 176 3HZ LYS 19 HZ3 LYS 19 -9.777 4.246 0.576 177 H HIS 20 HN HIS 20 -16.127 -0.189 -1.651 178 HA HIS 20 HA HIS 20 -18.893 -0.008 -0.975 179 1HB HIS 20 HB1 HIS 20 -17.398 -2.101 -2.617 180 2HB HIS 20 HB2 HIS 20 -18.151 -0.642 -3.257 181 HD1 HIS 20 HD1 HIS 20 -20.551 -1.001 -3.872 182 HD2 HIS 20 HD2 HIS 20 -19.262 -3.931 -1.360 183 HE1 HIS 20 HE1 HIS 20 -22.453 -2.529 -3.634 184 H ILE 21 HN ILE 21 -16.570 -2.689 -0.490 185 HA ILE 21 HA ILE 21 -18.425 -4.408 0.766 186 HB ILE 21 HB ILE 21 -15.827 -4.723 0.082 187 1HG1 ILE 21 HG11 ILE 21 -17.296 -6.166 2.321 188 2HG1 ILE 21 HG12 ILE 21 -15.815 -6.765 1.587 189 1HG2 ILE 21 HG21 ILE 21 -15.669 -4.563 3.127 190 2HG2 ILE 21 HG22 ILE 21 -15.231 -3.192 2.127 191 3HG2 ILE 21 HG23 ILE 21 -14.344 -4.693 1.978 192 1HD1 ILE 21 HD1 ILE 21 -17.554 -6.108 -0.566 193 2HD1 ILE 21 HD2 ILE 21 -18.527 -6.983 0.611 194 3HD1 ILE 21 HD3 ILE 21 -17.064 -7.714 -0.040 195 NH1 ARG 22 NH1 ARG 22 -11.360 -0.068 3.979 196 NH2 ARG 22 NH2 ARG 22 -11.104 1.099 5.928 197 H ARG 22 HN ARG 22 -16.732 -1.622 2.006 198 HA ARG 22 HA ARG 22 -17.257 -2.242 4.791 199 1HB ARG 22 HB1 ARG 22 -16.904 0.363 4.962 200 2HB ARG 22 HB2 ARG 22 -16.502 0.265 3.253 201 1HG ARG 22 HG1 ARG 22 -14.784 -1.451 3.760 202 2HG ARG 22 HG2 ARG 22 -15.171 -1.321 5.472 203 1HD ARG 22 HD1 ARG 22 -14.693 1.237 5.126 204 2HD ARG 22 HD2 ARG 22 -13.838 0.703 3.680 205 HE ARG 22 HE ARG 22 -13.156 -0.515 6.316 206 1HH1 ARG 22 HH11 ARG 22 -11.933 -0.643 3.394 207 2HH1 ARG 22 HH12 ARG 22 -10.440 0.187 3.682 208 1HH2 ARG 22 HH21 ARG 22 -11.484 1.397 6.804 209 2HH2 ARG 22 HH22 ARG 22 -10.179 1.373 5.665 210 H THR 23 HN THR 23 -18.980 -0.415 2.312 211 HA THR 23 HA THR 23 -20.912 0.877 3.835 212 HB THR 23 HB THR 23 -21.671 -0.703 1.320 213 HG1 THR 23 HG1 THR 23 -19.732 0.231 0.859 214 1HG2 THR 23 HG21 THR 23 -23.261 0.974 2.642 215 2HG2 THR 23 HG22 THR 23 -23.079 1.230 0.909 216 3HG2 THR 23 HG23 THR 23 -22.175 2.226 2.045 217 H HIS 24 HN HIS 24 -20.491 -2.537 3.386 218 HA HIS 24 HA HIS 24 -23.207 -3.163 4.331 219 1HB HIS 24 HB1 HIS 24 -22.173 -5.536 4.493 220 2HB HIS 24 HB2 HIS 24 -20.695 -4.836 3.843 221 HD1 HIS 24 HD1 HIS 24 -24.316 -4.932 2.827 222 HD2 HIS 24 HD2 HIS 24 -20.621 -4.853 1.110 223 HE1 HIS 24 HE1 HIS 24 -24.708 -5.104 0.395 224 H THR 25 HN THR 25 -21.145 -1.558 5.904 225 HA THR 25 HA THR 25 -20.863 -3.249 8.318 226 HB THR 25 HB THR 25 -19.641 -1.066 9.120 227 HG1 THR 25 HG1 THR 25 -19.131 0.049 6.965 228 1HG2 THR 25 HG21 THR 25 -18.840 -2.843 6.831 229 2HG2 THR 25 HG22 THR 25 -17.951 -2.500 8.313 230 3HG2 THR 25 HG23 THR 25 -17.934 -1.341 6.986 231 H ASP 26 HN ASP 26 -21.111 0.077 8.831 232 HA ASP 26 HA ASP 26 -23.972 -0.039 9.523 233 1HB ASP 26 HB1 ASP 26 -23.300 0.976 11.840 234 2HB ASP 26 HB2 ASP 26 -21.686 0.355 11.497 235 H VAL 27 HN VAL 27 -22.172 1.330 7.675 236 HA VAL 27 HA VAL 27 -22.376 4.146 8.575 237 HB VAL 27 HB VAL 27 -20.224 3.408 7.620 238 1HG1 VAL 27 HG11 VAL 27 -21.109 1.534 6.283 239 2HG1 VAL 27 HG12 VAL 27 -20.087 2.577 5.305 240 3HG1 VAL 27 HG13 VAL 27 -21.838 2.675 5.165 241 1HG2 VAL 27 HG21 VAL 27 -21.632 5.641 6.794 242 2HG2 VAL 27 HG22 VAL 27 -21.144 4.916 5.266 243 3HG2 VAL 27 HG23 VAL 27 -19.928 5.349 6.463 244 NH1 ARG 28 NH2 ARG 28 -26.601 -2.446 5.934 245 NH2 ARG 28 NH1 ARG 28 -25.570 -2.190 7.957 246 H ARG 28 HN ARG 28 -24.757 2.900 8.076 247 HA ARG 28 HA ARG 28 -25.708 4.160 5.554 248 1HB ARG 28 HB1 ARG 28 -27.556 2.390 5.755 249 2HB ARG 28 HB2 ARG 28 -26.598 1.671 7.039 250 1HG ARG 28 HG1 ARG 28 -24.652 1.709 5.305 251 2HG ARG 28 HG2 ARG 28 -25.922 1.924 4.109 252 1HD ARG 28 HD1 ARG 28 -25.394 -0.480 4.408 253 2HD ARG 28 HD2 ARG 28 -27.042 -0.133 4.931 254 HE ARG 28 HE ARG 28 -25.255 0.109 7.168 255 1HH1 ARG 28 HH21 ARG 28 -26.878 -2.051 5.058 256 2HH1 ARG 28 HH22 ARG 28 -26.822 -3.398 6.146 257 1HH2 ARG 28 HH11 ARG 28 -25.074 -1.604 8.597 258 2HH2 ARG 28 HH12 ARG 28 -25.774 -3.138 8.202 259 HA PRO 29 HA PRO 29 -27.730 6.312 9.138 260 1HB PRO 29 HB1 PRO 29 -26.977 8.464 8.880 261 2HB PRO 29 HB2 PRO 29 -27.965 8.659 7.432 262 1HG PRO 29 HG1 PRO 29 -25.082 8.259 7.605 263 2HG PRO 29 HG2 PRO 29 -26.052 8.591 6.169 264 1HD PRO 29 HD1 PRO 29 -25.947 6.411 5.527 265 2HD PRO 29 HD2 PRO 29 -24.821 6.110 6.863 266 OH TYR 30 OH TYR 30 -29.241 10.596 3.276 267 H TYR 30 HN TYR 30 -28.937 4.732 6.821 268 HA TYR 30 HA TYR 30 -31.594 6.114 6.877 269 1HB TYR 30 HB1 TYR 30 -31.943 5.236 4.524 270 2HB TYR 30 HB2 TYR 30 -30.278 4.675 4.519 271 HD1 TYR 30 HD1 TYR 30 -32.189 7.812 5.292 272 HD2 TYR 30 HD2 TYR 30 -28.685 6.117 3.574 273 HE1 TYR 30 HE1 TYR 30 -31.457 10.040 4.574 274 HE2 TYR 30 HE2 TYR 30 -27.954 8.344 2.864 275 HH TYR 30 HH TYR 30 -29.794 10.871 2.542 276 H HIS 31 HN HIS 31 -31.865 4.610 8.714 277 HA HIS 31 HA HIS 31 -32.154 1.761 7.950 278 1HB HIS 31 HB1 HIS 31 -32.499 1.408 10.382 279 2HB HIS 31 HB2 HIS 31 -32.553 3.151 10.639 280 HD1 HIS 31 HD1 HIS 31 -30.260 0.582 10.872 281 HD2 HIS 31 HD2 HIS 31 -29.983 4.369 9.442 282 HE1 HIS 31 HE1 HIS 31 -27.886 1.083 10.890 283 H CYS 32 HN CYS 32 -34.076 0.671 7.874 284 HA CYS 32 HA CYS 32 -36.450 2.177 7.343 285 1HB CYS 32 HB1 CYS 32 -35.856 -0.743 7.915 286 2HB CYS 32 HB2 CYS 32 -36.312 -0.015 6.396 287 H THR 33 HN THR 33 -38.180 2.692 8.618 288 HA THR 33 HA THR 33 -37.760 2.948 11.433 289 HB THR 33 HB THR 33 -40.208 3.196 9.613 290 HG1 THR 33 HG1 THR 33 -39.854 5.337 10.260 291 1HG2 THR 33 HG21 THR 33 -39.995 3.331 12.662 292 2HG2 THR 33 HG22 THR 33 -41.274 2.583 11.710 293 3HG2 THR 33 HG23 THR 33 -41.159 4.337 11.804 294 OH TYR 34 OH TYR 34 -44.777 2.260 9.302 295 H TYR 34 HN TYR 34 -38.988 0.375 9.502 296 HA TYR 34 HA TYR 34 -40.066 -1.010 11.903 297 1HB TYR 34 HB1 TYR 34 -41.106 -2.551 10.284 298 2HB TYR 34 HB2 TYR 34 -40.205 -1.821 8.960 299 HD1 TYR 34 HD2 TYR 34 -40.573 0.741 8.583 300 HD2 TYR 34 HD1 TYR 34 -43.215 -1.691 10.863 301 HE1 TYR 34 HE2 TYR 34 -42.341 2.420 8.327 302 HE2 TYR 34 HE1 TYR 34 -44.981 -0.012 10.608 303 HH TYR 34 HH TYR 34 -44.999 2.313 8.369 304 H CYS 35 HN CYS 35 -38.435 -2.270 9.007 305 HA CYS 35 HA CYS 35 -37.203 -4.428 10.403 306 1HB CYS 35 HB1 CYS 35 -35.902 -4.756 8.405 307 2HB CYS 35 HB2 CYS 35 -36.020 -3.081 7.960 308 H ASN 36 HN ASN 36 -34.602 -4.500 9.838 309 HA ASN 36 HA ASN 36 -33.450 -2.231 11.417 310 1HB ASN 36 HB1 ASN 36 -32.220 -5.006 11.277 311 2HB ASN 36 HB2 ASN 36 -33.546 -4.698 12.396 312 1HD2 ASN 36 HD21 ASN 36 -32.892 -3.970 14.410 313 2HD2 ASN 36 HD22 ASN 36 -31.436 -3.160 14.736 314 H PHE 37 HN PHE 37 -33.659 -3.510 8.428 315 HA PHE 37 HA PHE 37 -30.867 -3.433 7.614 316 1HB PHE 37 HB1 PHE 37 -33.173 -3.044 5.690 317 2HB PHE 37 HB2 PHE 37 -33.006 -4.602 6.502 318 HD1 PHE 37 HD2 PHE 37 -30.747 -5.812 6.316 319 HD2 PHE 37 HD1 PHE 37 -31.780 -2.494 3.856 320 HE1 PHE 37 HE2 PHE 37 -28.993 -6.448 4.718 321 HE2 PHE 37 HE1 PHE 37 -30.026 -3.134 2.260 322 HZ PHE 37 HZ PHE 37 -28.631 -5.110 2.691 323 H SER 38 HN SER 38 -29.955 -1.851 6.178 324 HA SER 38 HA SER 38 -31.400 0.722 6.039 325 1HB SER 38 HB1 SER 38 -28.572 0.495 7.162 326 2HB SER 38 HB2 SER 38 -30.008 0.706 8.170 327 HG SER 38 HG1 SER 38 -28.736 2.615 7.092 328 H PHE 39 HN PHE 39 -30.032 2.357 4.834 329 HA PHE 39 HA PHE 39 -28.414 1.008 2.730 330 1HB PHE 39 HB1 PHE 39 -29.702 2.108 1.023 331 2HB PHE 39 HB2 PHE 39 -30.451 3.195 2.189 332 HD1 PHE 39 HD2 PHE 39 -32.044 2.248 3.892 333 HD2 PHE 39 HD1 PHE 39 -30.634 -0.091 0.630 334 HE1 PHE 39 HE2 PHE 39 -33.833 0.619 4.295 335 HE2 PHE 39 HE1 PHE 39 -32.424 -1.728 1.040 336 HZ PHE 39 HZ PHE 39 -34.022 -1.373 2.878 337 H LYS 40 HN LYS 40 -27.053 2.458 1.538 338 HA LYS 40 HA LYS 40 -25.918 4.518 3.284 339 1HB LYS 40 HB1 LYS 40 -25.155 3.383 0.567 340 2HB LYS 40 HB2 LYS 40 -24.431 2.985 2.102 341 1HG LYS 40 HG1 LYS 40 -24.268 5.669 0.699 342 2HG LYS 40 HG2 LYS 40 -22.960 4.521 0.913 343 1HD LYS 40 HD1 LYS 40 -23.569 4.740 3.463 344 2HD LYS 40 HD2 LYS 40 -24.276 6.267 2.962 345 1HE LYS 40 HE1 LYS 40 -21.416 5.406 2.941 346 2HE LYS 40 HE2 LYS 40 -22.107 6.964 3.374 347 1HZ LYS 40 HZ1 LYS 40 -22.744 6.714 0.759 348 2HZ LYS 40 HZ2 LYS 40 -21.201 6.009 0.830 349 3HZ LYS 40 HZ3 LYS 40 -21.434 7.601 1.375 350 H THR 41 HN THR 41 -28.240 4.418 0.861 351 HA THR 41 HA THR 41 -27.996 7.371 0.518 352 HB THR 41 HB THR 41 -28.362 7.172 -1.876 353 HG1 THR 41 HG1 THR 41 -29.417 5.466 -2.617 354 1HG2 THR 41 HG21 THR 41 -26.075 6.142 -0.994 355 2HG2 THR 41 HG22 THR 41 -26.577 5.678 -2.617 356 3HG2 THR 41 HG23 THR 41 -26.843 4.579 -1.267 357 H LYS 42 HN LYS 42 -29.928 8.455 0.045 358 HA LYS 42 HA LYS 42 -32.200 7.366 1.432 359 1HB LYS 42 HB1 LYS 42 -31.914 9.860 -0.306 360 2HB LYS 42 HB2 LYS 42 -31.665 9.795 1.435 361 1HG LYS 42 HG1 LYS 42 -34.127 8.733 1.359 362 2HG LYS 42 HG2 LYS 42 -34.214 9.681 -0.122 363 1HD LYS 42 HD1 LYS 42 -33.466 10.738 2.626 364 2HD LYS 42 HD2 LYS 42 -34.987 11.027 1.790 365 1HE LYS 42 HE1 LYS 42 -32.231 12.028 1.059 366 2HE LYS 42 HE2 LYS 42 -33.695 12.964 1.328 367 1HZ LYS 42 HZ1 LYS 42 -33.323 12.870 -0.985 368 2HZ LYS 42 HZ2 LYS 42 -34.631 11.836 -0.663 369 3HZ LYS 42 HZ3 LYS 42 -33.089 11.188 -0.962 370 H GLY 43 HN GLY 43 -31.128 7.323 -1.825 371 1HA GLY 43 HA1 GLY 43 -32.136 6.438 -3.759 372 2HA GLY 43 HA2 GLY 43 -33.631 7.177 -3.188 373 H ASN 44 HN ASN 44 -31.511 4.467 -2.292 374 HA ASN 44 HA ASN 44 -33.266 2.374 -2.793 375 1HB ASN 44 HB1 ASN 44 -31.998 1.256 -0.792 376 2HB ASN 44 HB2 ASN 44 -31.136 2.785 -0.667 377 1HD2 ASN 44 HD21 ASN 44 -32.241 1.188 -3.676 378 2HD2 ASN 44 HD22 ASN 44 -30.685 0.985 -4.322 379 H LEU 45 HN LEU 45 -33.074 4.416 0.084 380 HA LEU 45 HA LEU 45 -34.800 3.041 1.798 381 1HB LEU 45 HB1 LEU 45 -34.933 6.057 1.374 382 2HB LEU 45 HB2 LEU 45 -33.518 5.311 2.096 383 HG LEU 45 HG LEU 45 -35.092 6.136 3.825 384 1HD1 LEU 45 HD11 LEU 45 -37.144 5.664 2.310 385 2HD1 LEU 45 HD12 LEU 45 -37.322 5.399 4.038 386 3HD1 LEU 45 HD13 LEU 45 -37.088 4.034 2.962 387 1HD2 LEU 45 HD21 LEU 45 -34.776 4.333 5.234 388 2HD2 LEU 45 HD22 LEU 45 -33.724 3.848 3.915 389 3HD2 LEU 45 HD23 LEU 45 -35.330 3.155 4.054 390 H THR 46 HN THR 46 -35.770 5.636 -0.452 391 HA THR 46 HA THR 46 -38.545 5.353 -0.155 392 HB THR 46 HB THR 46 -37.039 5.953 -2.778 393 HG1 THR 46 HG1 THR 46 -37.973 7.997 -1.239 394 1HG2 THR 46 HG21 THR 46 -39.778 6.742 -1.626 395 2HG2 THR 46 HG22 THR 46 -39.505 5.833 -3.109 396 3HG2 THR 46 HG23 THR 46 -39.058 7.535 -3.024 397 H LYS 47 HN LYS 47 -36.275 3.445 -2.010 398 HA LYS 47 HA LYS 47 -38.216 1.995 -3.552 399 1HB LYS 47 HB1 LYS 47 -35.638 0.719 -2.616 400 2HB LYS 47 HB2 LYS 47 -35.543 2.122 -3.674 401 1HG LYS 47 HG1 LYS 47 -36.804 1.020 -5.396 402 2HG LYS 47 HG2 LYS 47 -37.268 -0.287 -4.312 403 1HD LYS 47 HD1 LYS 47 -34.837 -0.900 -4.105 404 2HD LYS 47 HD2 LYS 47 -34.469 0.318 -5.320 405 1HE LYS 47 HE1 LYS 47 -35.772 -0.835 -6.987 406 2HE LYS 47 HE2 LYS 47 -36.452 -1.926 -5.787 407 1HZ LYS 47 HZ1 LYS 47 -34.006 -2.122 -7.215 408 2HZ LYS 47 HZ2 LYS 47 -34.803 -3.291 -6.276 409 3HZ LYS 47 HZ3 LYS 47 -33.735 -2.194 -5.540 410 H HIS 48 HN HIS 48 -36.562 1.218 -0.490 411 HA HIS 48 HA HIS 48 -37.964 -1.273 -0.135 412 1HB HIS 48 HB1 HIS 48 -36.587 0.583 1.876 413 2HB HIS 48 HB2 HIS 48 -35.875 -0.826 1.095 414 HD1 HIS 48 HD1 HIS 48 -37.459 -3.057 1.649 415 HD2 HIS 48 HD2 HIS 48 -37.573 -0.011 4.374 416 HE1 HIS 48 HE1 HIS 48 -38.307 -4.062 3.712 417 H MET 49 HN MET 49 -38.835 2.012 0.376 418 HA MET 49 HA MET 49 -41.031 1.285 2.215 419 1HB MET 49 HB1 MET 49 -41.511 3.857 1.851 420 2HB MET 49 HB2 MET 49 -39.931 3.879 1.078 421 1HG MET 49 HG1 MET 49 -39.505 4.398 3.340 422 2HG MET 49 HG2 MET 49 -39.032 2.731 3.148 423 1HE MET 49 HE1 MET 49 -38.748 3.498 5.502 424 2HE MET 49 HE2 MET 49 -39.829 2.859 6.741 425 3HE MET 49 HE3 MET 49 -40.018 4.520 6.177 426 H LYS 50 HN LYS 50 -40.461 1.752 -1.132 427 HA LYS 50 HA LYS 50 -43.094 2.537 -1.946 428 1HB LYS 50 HB1 LYS 50 -41.176 0.750 -3.511 429 2HB LYS 50 HB2 LYS 50 -40.929 2.486 -3.360 430 1HG LYS 50 HG1 LYS 50 -42.819 3.002 -4.628 431 2HG LYS 50 HG2 LYS 50 -43.615 1.479 -4.254 432 1HD LYS 50 HD1 LYS 50 -41.043 1.411 -5.796 433 2HD LYS 50 HD2 LYS 50 -42.518 1.870 -6.639 434 1HE LYS 50 HE1 LYS 50 -42.568 -0.559 -4.876 435 2HE LYS 50 HE2 LYS 50 -41.809 -0.683 -6.458 436 1HZ LYS 50 HZ1 LYS 50 -43.790 -0.829 -7.377 437 2HZ LYS 50 HZ2 LYS 50 -44.244 0.675 -6.733 438 3HZ LYS 50 HZ3 LYS 50 -44.522 -0.746 -5.847 439 H SER 51 HN SER 51 -41.548 -0.649 -1.656 440 HA SER 51 HA SER 51 -43.705 -2.211 -2.568 441 1HB SER 51 HB1 SER 51 -42.173 -3.193 -0.163 442 2HB SER 51 HB2 SER 51 -41.236 -2.827 -1.625 443 HG SER 51 HG1 SER 51 -43.235 -3.979 -2.614 444 H LYS 52 HN LYS 52 -45.349 -3.325 -1.444 445 HA LYS 52 HA LYS 52 -46.596 -1.678 0.617 446 1HB LYS 52 HB1 LYS 52 -48.315 -3.656 0.485 447 2HB LYS 52 HB2 LYS 52 -47.326 -4.246 -0.843 448 1HG LYS 52 HG1 LYS 52 -47.659 -1.516 -1.413 449 2HG LYS 52 HG2 LYS 52 -49.227 -2.008 -0.794 450 1HD LYS 52 HD1 LYS 52 -49.393 -2.467 -3.097 451 2HD LYS 52 HD2 LYS 52 -48.984 -4.037 -2.424 452 1HE LYS 52 HE1 LYS 52 -47.479 -3.780 -4.245 453 2HE LYS 52 HE2 LYS 52 -46.514 -3.349 -2.839 454 1HZ LYS 52 HZ1 LYS 52 -46.233 -1.319 -3.620 455 2HZ LYS 52 HZ2 LYS 52 -47.901 -1.090 -3.836 456 3HZ LYS 52 HZ3 LYS 52 -46.977 -1.809 -5.066 457 H ALA 53 HN ALA 53 -44.052 -3.320 1.103 458 HA ALA 53 HA ALA 53 -44.464 -5.469 2.831 459 1HB ALA 53 HB1 ALA 53 -42.365 -4.616 4.024 460 2HB ALA 53 HB2 ALA 53 -42.481 -3.152 3.053 461 3HB ALA 53 HB3 ALA 53 -42.198 -4.704 2.273 462 H HIS 54 HN HIS 54 -43.627 -2.365 4.307 463 HA HIS 54 HA HIS 54 -46.054 -2.503 5.982 464 1HB HIS 54 HB1 HIS 54 -44.709 -3.632 7.515 465 2HB HIS 54 HB2 HIS 54 -44.290 -1.983 7.954 466 HD1 HIS 54 HD1 HIS 54 -42.864 -4.969 6.432 467 HD2 HIS 54 HD2 HIS 54 -41.686 -1.097 7.028 468 HE1 HIS 54 HE1 HIS 54 -40.432 -4.966 6.127 469 H SER 55 HN SER 55 -46.628 -0.600 4.894 470 HA SER 55 HA SER 55 -45.292 1.806 6.022 471 1HB SER 55 HB1 SER 55 -45.520 2.889 3.700 472 2HB SER 55 HB2 SER 55 -45.900 1.276 3.066 473 HG SER 55 HG1 SER 55 -43.891 0.823 4.558 474 H LYS 56 HN LYS 56 -48.111 0.306 4.580 475 HA LYS 56 HA LYS 56 -49.738 2.717 5.183 476 1HB LYS 56 HB1 LYS 56 -51.530 1.458 3.963 477 2HB LYS 56 HB2 LYS 56 -50.453 0.073 3.824 478 1HG LYS 56 HG1 LYS 56 -48.883 2.115 2.844 479 2HG LYS 56 HG2 LYS 56 -50.484 2.585 2.284 480 1HD LYS 56 HD1 LYS 56 -50.752 0.160 1.485 481 2HD LYS 56 HD2 LYS 56 -49.023 -0.014 1.761 482 1HE LYS 56 HE1 LYS 56 -50.457 1.500 -0.346 483 2HE LYS 56 HE2 LYS 56 -48.873 0.739 -0.397 484 1HZ LYS 56 HZ1 LYS 56 -48.653 3.111 -0.520 485 2HZ LYS 56 HZ2 LYS 56 -48.017 2.567 0.958 486 3HZ LYS 56 HZ3 LYS 56 -49.542 3.314 0.913 487 H LYS 57 HN LYS 57 -51.568 -0.071 5.236 488 HA LYS 57 HA LYS 57 -52.564 0.305 7.827 489 1HB LYS 57 HB1 LYS 57 -52.996 -2.361 7.476 490 2HB LYS 57 HB2 LYS 57 -52.556 -1.931 5.827 491 1HG LYS 57 HG1 LYS 57 -54.265 -0.094 5.904 492 2HG LYS 57 HG2 LYS 57 -54.760 -0.673 7.492 493 1HD LYS 57 HD1 LYS 57 -55.278 -2.893 6.512 494 2HD LYS 57 HD2 LYS 57 -54.804 -2.297 4.925 495 1HE LYS 57 HE1 LYS 57 -57.027 -1.123 6.629 496 2HE LYS 57 HE2 LYS 57 -57.271 -2.202 5.262 497 1HZ LYS 57 HZ1 LYS 57 -55.909 0.426 5.109 498 2HZ LYS 57 HZ2 LYS 57 -57.530 0.148 4.688 499 3HZ LYS 57 LYS 57 -56.284 -0.597 3.808 Start of MODEL 39 Raw file had 499 H/Q atoms Start of MODEL 39 1 1H LYS 1 HT1 LYS 1 -15.339 -11.703 -9.159 2 2H LYS 1 HT2 LYS 1 -13.771 -11.675 -8.506 3 3H LYS 1 HT3 LYS 1 -14.050 -12.406 -10.014 4 HA LYS 1 HA LYS 1 -12.998 -10.236 -10.234 5 1HB LYS 1 HB1 LYS 1 -14.831 -9.257 -11.765 6 2HB LYS 1 HB2 LYS 1 -15.869 -10.571 -11.219 7 1HG LYS 1 HG1 LYS 1 -13.809 -12.085 -11.883 8 2HG LYS 1 HG2 LYS 1 -13.360 -10.704 -12.876 9 1HD LYS 1 HD1 LYS 1 -14.716 -11.838 -14.379 10 2HD LYS 1 HD2 LYS 1 -15.927 -10.832 -13.592 11 1HE LYS 1 HE1 LYS 1 -16.899 -12.963 -13.452 12 2HE LYS 1 HE2 LYS 1 -16.099 -12.826 -11.892 13 1HZ LYS 1 HZ1 LYS 1 -15.706 -14.759 -13.841 14 2HZ LYS 1 HZ2 LYS 1 -14.868 -14.573 -12.375 15 3HZ LYS 1 HZ3 LYS 1 -14.283 -13.834 -13.788 16 OH TYR 2 OH TYR 2 -10.404 -5.850 -10.099 17 H TYR 2 HN TYR 2 -16.365 -9.269 -9.912 18 HA TYR 2 HA TYR 2 -15.766 -7.720 -7.481 19 1HB TYR 2 HB1 TYR 2 -16.334 -5.549 -8.558 20 2HB TYR 2 HB2 TYR 2 -16.519 -6.364 -10.112 21 HD1 TYR 2 HD2 TYR 2 -14.051 -5.619 -7.427 22 HD2 TYR 2 HD1 TYR 2 -14.609 -6.834 -11.464 23 HE1 TYR 2 HE2 TYR 2 -11.645 -5.378 -7.831 24 HE2 TYR 2 HE1 TYR 2 -12.200 -6.605 -11.865 25 HH TYR 2 HH TYR 2 -10.268 -5.086 -10.665 26 H ILE 3 HN ILE 3 -17.565 -9.736 -7.742 27 HA ILE 3 HA ILE 3 -20.214 -8.369 -7.932 28 HB ILE 3 HB ILE 3 -19.452 -11.336 -8.013 29 1HG1 ILE 3 HG11 ILE 3 -19.851 -9.237 -10.067 30 2HG1 ILE 3 HG12 ILE 3 -20.716 -10.734 -10.384 31 1HG2 ILE 3 HG21 ILE 3 -22.159 -9.911 -8.317 32 2HG2 ILE 3 HG22 ILE 3 -21.709 -10.992 -7.003 33 3HG2 ILE 3 HG23 ILE 3 -21.906 -11.626 -8.629 34 1HD1 ILE 3 HD1 ILE 3 -17.767 -10.594 -9.684 35 2HD1 ILE 3 HD2 ILE 3 -18.389 -10.719 -11.327 36 3HD1 ILE 3 HD3 ILE 3 -18.662 -12.027 -10.180 37 H CYS 4 HN CYS 4 -20.600 -7.559 -5.909 38 HA CYS 4 HA CYS 4 -19.671 -8.537 -3.478 39 1HB CYS 4 HB1 CYS 4 -22.295 -7.231 -4.202 40 2HB CYS 4 HB2 CYS 4 -20.911 -6.501 -3.441 41 H GLU 5 HN GLU 5 -19.834 -10.402 -2.527 42 HA GLU 5 HA GLU 5 -21.419 -12.552 -3.437 43 1HB GLU 5 HB1 GLU 5 -20.889 -13.437 -1.012 44 2HB GLU 5 HB2 GLU 5 -19.944 -11.960 -0.859 45 1HG GLU 5 HG1 GLU 5 -18.634 -12.563 -2.853 46 2HG GLU 5 HG2 GLU 5 -19.609 -14.015 -3.072 47 H GLU 6 HN GLU 6 -22.265 -9.927 -1.368 48 HA GLU 6 HA GLU 6 -24.555 -11.378 -0.263 49 1HB GLU 6 HB1 GLU 6 -23.959 -8.423 0.081 50 2HB GLU 6 HB2 GLU 6 -23.093 -9.642 1.007 51 1HG GLU 6 HG1 GLU 6 -25.262 -10.528 1.840 52 2HG GLU 6 HG2 GLU 6 -26.108 -9.270 0.943 53 H CYS 7 HN CYS 7 -24.320 -8.146 -1.723 54 HA CYS 7 HA CYS 7 -27.081 -8.296 -2.614 55 1HB CYS 7 HB1 CYS 7 -26.752 -6.091 -3.413 56 2HB CYS 7 HB2 CYS 7 -25.052 -6.337 -3.677 57 H GLY 8 HN GLY 8 -23.930 -8.314 -4.252 58 1HA GLY 8 HA1 GLY 8 -25.254 -9.657 -6.567 59 2HA GLY 8 HA2 GLY 8 -23.544 -9.783 -6.176 60 H ILE 9 HN ILE 9 -23.860 -6.722 -5.571 61 HA ILE 9 HA ILE 9 -24.419 -5.380 -7.972 62 HB ILE 9 HB ILE 9 -23.883 -4.415 -5.619 63 1HG1 ILE 9 HG11 ILE 9 -24.299 -3.056 -7.670 64 2HG1 ILE 9 HG12 ILE 9 -22.579 -3.109 -8.034 65 1HG2 ILE 9 HG21 ILE 9 -21.573 -3.963 -5.114 66 2HG2 ILE 9 HG22 ILE 9 -21.046 -4.303 -6.751 67 3HG2 ILE 9 HG23 ILE 9 -21.549 -5.614 -5.692 68 1HD1 ILE 9 HD1 ILE 9 -23.642 -2.091 -5.387 69 2HD1 ILE 9 HD2 ILE 9 -23.396 -1.034 -6.772 70 3HD1 ILE 9 HD3 ILE 9 -22.027 -1.875 -6.054 71 NH1 ARG 10 NH2 ARG 10 -22.633 -7.925 -16.723 72 NH2 ARG 10 NH1 ARG 10 -24.262 -8.698 -15.318 73 H ARG 10 HN ARG 10 -23.424 -5.276 -9.878 74 HA ARG 10 HA ARG 10 -20.759 -6.581 -10.118 75 1HB ARG 10 HB1 ARG 10 -22.711 -5.716 -12.305 76 2HB ARG 10 HB2 ARG 10 -22.724 -7.310 -11.567 77 1HG ARG 10 HG1 ARG 10 -20.182 -7.358 -12.227 78 2HG ARG 10 HG2 ARG 10 -20.626 -6.069 -13.340 79 1HD ARG 10 HD1 ARG 10 -21.964 -8.796 -13.209 80 2HD ARG 10 HD2 ARG 10 -20.787 -8.301 -14.424 81 HE ARG 10 HE ARG 10 -22.964 -6.420 -14.343 82 1HH1 ARG 10 HH21 ARG 10 -21.810 -7.373 -16.858 83 2HH1 ARG 10 HH22 ARG 10 -23.029 -8.428 -17.491 84 1HH2 ARG 10 HH11 ARG 10 -24.660 -8.724 -14.401 85 2HH2 ARG 10 HH12 ARG 10 -24.686 -9.214 -16.063 86 H ABA 11 HN ABU 11 -19.129 -5.195 -9.912 87 HA ABA 11 HA ABU 11 -19.309 -2.579 -11.382 88 1HB ABA 11 HB1 ABU 11 -17.832 -1.661 -9.622 89 2HB ABA 11 HB2 ABU 11 -17.764 -3.218 -8.829 90 1HG ABA 11 HG1 ABU 11 -20.183 -1.424 -9.156 91 2HG ABA 11 HG2 ABU 11 -19.424 -1.935 -7.651 92 3HG ABA 11 HG3 ABU 11 -20.305 -3.101 -8.633 93 H LYS 12 HN LYS 12 -18.139 -2.838 -13.154 94 HA LYS 12 HA LYS 12 -15.984 -4.653 -13.467 95 1HB LYS 12 HB1 LYS 12 -15.554 -3.377 -15.574 96 2HB LYS 12 HB2 LYS 12 -16.626 -2.101 -15.010 97 1HG LYS 12 HG1 LYS 12 -18.539 -3.539 -15.081 98 2HG LYS 12 HG2 LYS 12 -17.540 -4.976 -15.264 99 1HD LYS 12 HD1 LYS 12 -16.738 -4.057 -17.470 100 2HD LYS 12 HD2 LYS 12 -17.897 -2.745 -17.292 101 1HE LYS 12 HE1 LYS 12 -18.396 -5.664 -17.772 102 2HE LYS 12 HE2 LYS 12 -19.154 -4.268 -18.528 103 1HZ LYS 12 HZ1 LYS 12 -20.188 -3.813 -16.316 104 2HZ LYS 12 HZ2 LYS 12 -19.633 -5.336 -15.811 105 3HZ LYS 12 HZ3 LYS 12 -20.737 -5.217 -17.096 106 H LYS 13 HN LYS 13 -15.885 -2.249 -11.354 107 HA LYS 13 HA LYS 13 -12.980 -1.865 -11.790 108 1HB LYS 13 HB1 LYS 13 -13.458 0.602 -10.963 109 2HB LYS 13 HB2 LYS 13 -15.105 0.265 -11.489 110 1HG LYS 13 HG1 LYS 13 -14.074 -0.489 -13.720 111 2HG LYS 13 HG2 LYS 13 -12.579 0.254 -13.162 112 1HD LYS 13 HD1 LYS 13 -15.261 1.645 -13.474 113 2HD LYS 13 HD2 LYS 13 -13.854 1.865 -14.508 114 1HE LYS 13 HE1 LYS 13 -12.629 2.463 -12.263 115 2HE LYS 13 HE2 LYS 13 -14.257 2.737 -11.654 116 1HZ LYS 13 HZ1 LYS 13 -13.670 4.788 -12.457 117 2HZ LYS 13 HZ2 LYS 13 -14.507 4.138 -13.784 118 3HZ LYS 13 HZ3 LYS 13 -12.809 4.160 -13.780 119 HA PRO 14 HA PRO 14 -12.696 -2.640 -7.427 120 1HB PRO 14 HB1 PRO 14 -10.390 -2.573 -7.307 121 2HB PRO 14 HB2 PRO 14 -10.532 -0.876 -6.848 122 1HG PRO 14 HG1 PRO 14 -9.347 -1.834 -9.223 123 2HG PRO 14 HG2 PRO 14 -9.830 -0.164 -8.919 124 1HD PRO 14 HD1 PRO 14 -11.376 -0.412 -10.597 125 2HD PRO 14 HD2 PRO 14 -11.085 -2.161 -10.655 126 H SER 15 HN SER 15 -11.602 0.733 -7.737 127 HA SER 15 HA SER 15 -12.462 1.891 -5.454 128 1HB SER 15 HB1 SER 15 -11.585 3.069 -7.602 129 2HB SER 15 HB2 SER 15 -12.816 3.979 -6.704 130 HG SER 15 HG1 SER 15 -14.389 3.109 -8.060 131 H MET 16 HN MET 16 -14.625 0.924 -8.063 132 HA MET 16 HA MET 16 -16.978 2.012 -6.767 133 1HB MET 16 HB1 MET 16 -18.095 0.335 -8.467 134 2HB MET 16 HB2 MET 16 -16.453 0.103 -9.063 135 1HG MET 16 HG1 MET 16 -17.547 1.853 -10.342 136 2HG MET 16 HG2 MET 16 -16.225 2.513 -9.417 137 1HE MET 16 HE1 MET 16 -19.778 1.681 -9.547 138 2HE MET 16 HE2 MET 16 -20.677 3.074 -8.948 139 3HE MET 16 HE3 MET 16 -19.995 1.910 -7.813 140 H LEU 17 HN LEU 17 -15.806 -1.353 -7.240 141 HA LEU 17 HA LEU 17 -17.793 -2.479 -5.508 142 1HB LEU 17 HB1 LEU 17 -15.018 -3.656 -5.894 143 2HB LEU 17 HB2 LEU 17 -16.147 -3.637 -7.228 144 HG LEU 17 HG LEU 17 -16.228 -5.793 -5.977 145 1HD1 LEU 17 HD11 LEU 17 -17.411 -4.283 -3.642 146 2HD1 LEU 17 HD12 LEU 17 -15.691 -4.618 -3.746 147 3HD1 LEU 17 HD13 LEU 17 -16.847 -5.942 -3.702 148 1HD2 LEU 17 HD21 LEU 17 -18.869 -4.528 -5.319 149 2HD2 LEU 17 HD22 LEU 17 -18.518 -6.031 -6.157 150 3HD2 LEU 17 HD23 LEU 17 -18.342 -4.498 -6.990 151 H LYS 18 HN LYS 18 -14.327 -1.851 -5.013 152 HA LYS 18 HA LYS 18 -13.920 -2.478 -2.407 153 1HB LYS 18 HB1 LYS 18 -12.465 -0.374 -2.266 154 2HB LYS 18 HB2 LYS 18 -13.132 0.112 -3.820 155 1HG LYS 18 HG1 LYS 18 -12.266 -1.901 -4.882 156 2HG LYS 18 HG2 LYS 18 -11.717 -2.531 -3.337 157 1HD LYS 18 HD1 LYS 18 -10.728 0.059 -4.588 158 2HD LYS 18 HD2 LYS 18 -9.874 -1.475 -4.682 159 1HE LYS 18 HE1 LYS 18 -8.845 -0.778 -2.771 160 2HE LYS 18 HE2 LYS 18 -10.329 -1.278 -1.974 161 1HZ LYS 18 HZ1 LYS 18 -9.282 1.351 -2.401 162 2HZ LYS 18 HZ2 LYS 18 -10.451 0.813 -1.292 163 3HZ LYS 18 HZ3 LYS 18 -10.907 1.211 -2.879 164 H LYS 19 HN LYS 19 -15.278 0.669 -3.397 165 HA LYS 19 HA LYS 19 -15.878 1.507 -0.754 166 1HB LYS 19 HB1 LYS 19 -17.556 3.036 -1.995 167 2HB LYS 19 HB2 LYS 19 -17.044 2.230 -3.473 168 1HG LYS 19 HG1 LYS 19 -14.666 2.852 -2.904 169 2HG LYS 19 HG2 LYS 19 -15.288 3.801 -1.560 170 1HD LYS 19 HD1 LYS 19 -16.024 4.198 -4.481 171 2HD LYS 19 HD2 LYS 19 -14.928 5.220 -3.561 172 1HE LYS 19 HE1 LYS 19 -16.909 6.412 -3.307 173 2HE LYS 19 HE2 LYS 19 -16.995 5.367 -1.894 174 1HZ LYS 19 HZ1 LYS 19 -18.909 5.583 -3.756 175 2HZ LYS 19 HZ2 LYS 19 -18.713 4.245 -2.729 176 3HZ LYS 19 HZ3 LYS 19 -18.075 4.208 -4.303 177 H HIS 20 HN HIS 20 -17.749 -0.313 -3.132 178 HA HIS 20 HA HIS 20 -20.231 -0.256 -1.727 179 1HB HIS 20 HB1 HIS 20 -19.072 -2.383 -3.580 180 2HB HIS 20 HB2 HIS 20 -20.090 -1.037 -4.076 181 HD1 HIS 20 HD1 HIS 20 -22.504 -1.653 -4.048 182 HD2 HIS 20 HD2 HIS 20 -20.370 -4.191 -1.694 183 HE1 HIS 20 HE1 HIS 20 -24.108 -3.336 -3.282 184 H ILE 21 HN ILE 21 -17.634 -2.723 -1.711 185 HA ILE 21 HA ILE 21 -18.919 -4.457 0.106 186 HB ILE 21 HB ILE 21 -16.537 -4.600 -1.187 187 1HG1 ILE 21 HG11 ILE 21 -17.211 -5.959 1.451 188 2HG1 ILE 21 HG12 ILE 21 -15.938 -6.493 0.364 189 1HG2 ILE 21 HG21 ILE 21 -14.653 -4.269 0.281 190 2HG2 ILE 21 HG22 ILE 21 -15.675 -4.140 1.706 191 3HG2 ILE 21 HG23 ILE 21 -15.631 -2.843 0.531 192 1HD1 ILE 21 HD1 ILE 21 -17.507 -7.716 -0.718 193 2HD1 ILE 21 HD2 ILE 21 -18.204 -6.203 -1.282 194 3HD1 ILE 21 HD3 ILE 21 -18.807 -6.953 0.192 195 NH1 ARG 22 NH2 ARG 22 -12.283 -0.860 2.982 196 NH2 ARG 22 NH1 ARG 22 -11.376 -0.511 0.915 197 H ARG 22 HN ARG 22 -17.239 -1.440 0.664 198 HA ARG 22 HA ARG 22 -17.084 -1.813 3.552 199 1HB ARG 22 HB1 ARG 22 -16.709 0.723 3.501 200 2HB ARG 22 HB2 ARG 22 -16.955 0.662 1.762 201 1HG ARG 22 HG1 ARG 22 -15.045 -0.771 1.456 202 2HG ARG 22 HG2 ARG 22 -14.900 -1.050 3.187 203 1HD ARG 22 HD1 ARG 22 -13.906 0.995 3.568 204 2HD ARG 22 HD2 ARG 22 -14.813 1.791 2.283 205 HE ARG 22 HE ARG 22 -12.983 1.349 0.875 206 1HH1 ARG 22 HH21 ARG 22 -12.962 -0.611 3.673 207 2HH1 ARG 22 HH22 ARG 22 -11.634 -1.599 3.163 208 1HH2 ARG 22 HH11 ARG 22 -11.376 0.000 0.055 209 2HH2 ARG 22 HH12 ARG 22 -10.712 -1.244 1.061 210 H THR 23 HN THR 23 -19.472 -0.522 1.333 211 HA THR 23 HA THR 23 -21.085 0.930 3.120 212 HB THR 23 HB THR 23 -22.319 -0.986 1.074 213 HG1 THR 23 HG1 THR 23 -21.630 1.211 -0.111 214 1HG2 THR 23 HG21 THR 23 -22.797 1.972 1.109 215 2HG2 THR 23 HG22 THR 23 -23.354 1.142 2.561 216 3HG2 THR 23 HG23 THR 23 -23.980 0.673 0.982 217 H HIS 24 HN HIS 24 -20.460 -2.466 2.993 218 HA HIS 24 HA HIS 24 -22.837 -3.159 4.588 219 1HB HIS 24 HB1 HIS 24 -21.549 -5.418 4.735 220 2HB HIS 24 HB2 HIS 24 -20.362 -4.688 3.659 221 HD1 HIS 24 HD1 HIS 24 -24.045 -5.411 3.642 222 HD2 HIS 24 HD2 HIS 24 -21.002 -4.807 0.994 223 HE1 HIS 24 HE1 HIS 24 -24.995 -5.897 1.413 224 H THR 25 HN THR 25 -20.621 -1.255 5.483 225 HA THR 25 HA THR 25 -19.575 -2.660 7.858 226 HB THR 25 HB THR 25 -18.564 -0.251 8.218 227 HG1 THR 25 HG1 THR 25 -18.728 0.774 6.011 228 1HG2 THR 25 HG21 THR 25 -16.915 -1.562 7.133 229 2HG2 THR 25 HG22 THR 25 -17.322 -0.488 5.799 230 3HG2 THR 25 HG23 THR 25 -18.040 -2.094 5.887 231 H ASP 26 HN ASP 26 -20.361 0.655 8.080 232 HA ASP 26 HA ASP 26 -22.914 0.248 9.426 233 1HB ASP 26 HB1 ASP 26 -22.121 1.091 11.625 234 2HB ASP 26 HB2 ASP 26 -20.486 1.259 10.991 235 H VAL 27 HN VAL 27 -21.709 1.716 7.233 236 HA VAL 27 HA VAL 27 -22.064 4.526 8.146 237 HB VAL 27 HB VAL 27 -19.974 3.979 6.944 238 1HG1 VAL 27 HG11 VAL 27 -20.853 2.037 5.695 239 2HG1 VAL 27 HG12 VAL 27 -20.040 3.171 4.623 240 3HG1 VAL 27 HG13 VAL 27 -21.797 3.120 4.683 241 1HG2 VAL 27 HG21 VAL 27 -20.009 5.958 5.822 242 2HG2 VAL 27 HG22 VAL 27 -21.694 6.067 6.325 243 3HG2 VAL 27 HG23 VAL 27 -21.287 5.411 4.742 244 NH1 ARG 28 NH1 ARG 28 -25.714 -1.213 8.142 245 NH2 ARG 28 NH2 ARG 28 -24.601 -2.567 6.675 246 H ARG 28 HN ARG 28 -24.328 2.908 7.871 247 HA ARG 28 HA ARG 28 -25.691 4.063 5.475 248 1HB ARG 28 HB1 ARG 28 -27.354 2.132 6.003 249 2HB ARG 28 HB2 ARG 28 -26.089 1.500 7.049 250 1HG ARG 28 HG1 ARG 28 -24.596 1.893 4.876 251 2HG ARG 28 HG2 ARG 28 -26.148 1.731 4.068 252 1HD ARG 28 HD1 ARG 28 -25.070 -0.473 4.258 253 2HD ARG 28 HD2 ARG 28 -26.520 -0.426 5.260 254 HE ARG 28 HE ARG 28 -23.941 0.219 6.575 255 1HH1 ARG 28 HH11 ARG 28 -26.010 -0.295 8.405 256 2HH1 ARG 28 HH12 ARG 28 -25.957 -1.999 8.712 257 1HH2 ARG 28 HH21 ARG 28 -24.062 -2.662 5.837 258 2HH2 ARG 28 HH22 ARG 28 -24.825 -3.374 7.220 259 HA PRO 29 HA PRO 29 -27.462 6.103 9.267 260 1HB PRO 29 HB1 PRO 29 -27.108 8.330 8.839 261 2HB PRO 29 HB2 PRO 29 -28.248 8.290 7.494 262 1HG PRO 29 HG1 PRO 29 -25.323 8.285 7.395 263 2HG PRO 29 HG2 PRO 29 -26.464 8.440 6.057 264 1HD PRO 29 HD1 PRO 29 -26.151 6.265 5.464 265 2HD PRO 29 HD2 PRO 29 -24.868 6.158 6.680 266 OH TYR 30 OH TYR 30 -29.735 10.627 2.836 267 H TYR 30 HN TYR 30 -28.802 5.739 6.021 268 HA TYR 30 HA TYR 30 -31.538 6.243 6.850 269 1HB TYR 30 HB1 TYR 30 -32.090 5.248 4.604 270 2HB TYR 30 HB2 TYR 30 -30.412 4.743 4.432 271 HD1 TYR 30 HD1 TYR 30 -32.460 7.807 5.095 272 HD2 TYR 30 HD2 TYR 30 -28.878 6.223 3.436 273 HE1 TYR 30 HE1 TYR 30 -31.886 10.023 4.219 274 HE2 TYR 30 HE2 TYR 30 -28.305 8.439 2.558 275 HH TYR 30 HH TYR 30 -30.433 11.236 3.088 276 H HIS 31 HN HIS 31 -32.550 4.973 8.264 277 HA HIS 31 HA HIS 31 -32.247 1.999 7.986 278 1HB HIS 31 HB1 HIS 31 -32.586 1.872 10.447 279 2HB HIS 31 HB2 HIS 31 -32.776 3.621 10.523 280 HD1 HIS 31 HD1 HIS 31 -30.162 1.181 9.557 281 HD2 HIS 31 HD2 HIS 31 -30.438 5.004 10.883 282 HE1 HIS 31 HE1 HIS 31 -27.868 1.873 9.942 283 H CYS 32 HN CYS 32 -34.112 0.789 7.922 284 HA CYS 32 HA CYS 32 -36.583 2.165 7.385 285 1HB CYS 32 HB1 CYS 32 -35.850 -0.722 7.971 286 2HB CYS 32 HB2 CYS 32 -36.358 -0.031 6.453 287 H THR 33 HN THR 33 -38.313 2.592 8.679 288 HA THR 33 HA THR 33 -37.847 2.835 11.504 289 HB THR 33 HB THR 33 -40.612 2.813 10.170 290 HG1 THR 33 HG1 THR 33 -39.628 4.203 8.897 291 1HG2 THR 33 HG21 THR 33 -41.132 4.438 11.873 292 2HG2 THR 33 HG22 THR 33 -39.433 4.817 12.146 293 3HG2 THR 33 HG23 THR 33 -40.106 3.306 12.751 294 OH TYR 34 OH TYR 34 -44.755 2.278 9.016 295 H TYR 34 HN TYR 34 -39.143 0.317 9.525 296 HA TYR 34 HA TYR 34 -40.223 -1.104 11.895 297 1HB TYR 34 HB1 TYR 34 -41.257 -2.607 10.254 298 2HB TYR 34 HB2 TYR 34 -40.286 -1.925 8.954 299 HD1 TYR 34 HD2 TYR 34 -40.580 0.617 8.483 300 HD2 TYR 34 HD1 TYR 34 -43.360 -1.656 10.766 301 HE1 TYR 34 HE2 TYR 34 -42.288 2.334 8.113 302 HE2 TYR 34 HE1 TYR 34 -45.069 0.060 10.388 303 HH TYR 34 HH TYR 34 -45.578 1.965 9.397 304 H CYS 35 HN CYS 35 -38.536 -2.358 9.028 305 HA CYS 35 HA CYS 35 -37.347 -4.544 10.396 306 1HB CYS 35 HB1 CYS 35 -35.931 -4.780 8.452 307 2HB CYS 35 HB2 CYS 35 -36.079 -3.093 8.055 308 H ASN 36 HN ASN 36 -34.663 -4.400 9.663 309 HA ASN 36 HA ASN 36 -33.584 -2.263 11.445 310 1HB ASN 36 HB1 ASN 36 -32.851 -5.235 11.356 311 2HB ASN 36 HB2 ASN 36 -33.602 -4.390 12.707 312 1HD2 ASN 36 HD21 ASN 36 -32.229 -2.422 13.523 313 2HD2 ASN 36 HD22 ASN 36 -30.550 -2.658 13.595 314 H PHE 37 HN PHE 37 -33.695 -3.479 8.437 315 HA PHE 37 HA PHE 37 -30.911 -3.547 7.690 316 1HB PHE 37 HB1 PHE 37 -33.139 -2.786 5.780 317 2HB PHE 37 HB2 PHE 37 -33.089 -4.419 6.438 318 HD1 PHE 37 HD2 PHE 37 -30.919 -5.766 6.145 319 HD2 PHE 37 HD1 PHE 37 -31.686 -2.163 4.007 320 HE1 PHE 37 HE2 PHE 37 -29.194 -6.369 4.504 321 HE2 PHE 37 HE1 PHE 37 -29.960 -2.773 2.367 322 HZ PHE 37 HZ PHE 37 -28.714 -4.874 2.616 323 H SER 38 HN SER 38 -29.846 -1.968 6.297 324 HA SER 38 HA SER 38 -30.946 0.771 6.519 325 1HB SER 38 HB1 SER 38 -28.034 0.244 7.172 326 2HB SER 38 HB2 SER 38 -29.262 0.115 8.434 327 HG SER 38 HG1 SER 38 -29.968 2.191 7.903 328 H PHE 39 HN PHE 39 -30.240 2.208 4.990 329 HA PHE 39 HA PHE 39 -28.643 1.010 2.764 330 1HB PHE 39 HB1 PHE 39 -30.092 2.138 1.225 331 2HB PHE 39 HB2 PHE 39 -30.692 3.234 2.469 332 HD1 PHE 39 HD2 PHE 39 -32.178 2.313 4.302 333 HD2 PHE 39 HD1 PHE 39 -31.116 -0.015 0.894 334 HE1 PHE 39 HE2 PHE 39 -33.998 0.740 4.803 335 HE2 PHE 39 HE1 PHE 39 -32.949 -1.573 1.395 336 HZ PHE 39 HZ PHE 39 -34.389 -1.195 3.347 337 H LYS 40 HN LYS 40 -27.396 2.498 1.508 338 HA LYS 40 HA LYS 40 -26.152 4.552 3.207 339 1HB LYS 40 HB1 LYS 40 -25.519 3.387 0.458 340 2HB LYS 40 HB2 LYS 40 -24.712 3.009 1.963 341 1HG LYS 40 HG1 LYS 40 -24.645 5.691 0.528 342 2HG LYS 40 HG2 LYS 40 -23.322 4.544 0.654 343 1HD LYS 40 HD1 LYS 40 -23.630 4.760 3.209 344 2HD LYS 40 HD2 LYS 40 -24.554 6.209 2.844 345 1HE LYS 40 HE1 LYS 40 -22.269 6.895 3.199 346 2HE LYS 40 HE2 LYS 40 -22.583 7.010 1.473 347 1HZ LYS 40 HZ1 LYS 40 -21.713 4.450 1.834 348 2HZ LYS 40 HZ2 LYS 40 -20.725 5.362 2.872 349 3HZ LYS 40 HZ3 LYS 40 -20.801 5.745 1.218 350 H THR 41 HN THR 41 -28.485 4.386 0.727 351 HA THR 41 HA THR 41 -28.311 7.356 0.393 352 HB THR 41 HB THR 41 -28.722 7.126 -1.998 353 HG1 THR 41 HG1 THR 41 -29.220 4.909 -2.694 354 1HG2 THR 41 HG21 THR 41 -27.115 4.595 -1.335 355 2HG2 THR 41 HG22 THR 41 -26.391 6.196 -1.204 356 3HG2 THR 41 HG23 THR 41 -26.952 5.609 -2.766 357 H LYS 42 HN LYS 42 -30.294 8.390 -0.153 358 HA LYS 42 HA LYS 42 -32.517 7.310 1.315 359 1HB LYS 42 HB1 LYS 42 -32.620 9.647 -0.628 360 2HB LYS 42 HB2 LYS 42 -31.872 9.806 0.956 361 1HG LYS 42 HG1 LYS 42 -33.922 9.339 2.087 362 2HG LYS 42 HG2 LYS 42 -34.680 8.726 0.622 363 1HD LYS 42 HD1 LYS 42 -34.564 10.992 -0.380 364 2HD LYS 42 HD2 LYS 42 -33.828 11.602 1.098 365 1HE LYS 42 HE1 LYS 42 -36.482 10.159 1.142 366 2HE LYS 42 HE2 LYS 42 -36.388 11.888 0.843 367 1HZ LYS 42 HZ1 LYS 42 -36.342 10.580 3.287 368 2HZ LYS 42 HZ2 LYS 42 -36.152 12.243 2.994 369 3HZ LYS 42 HZ3 LYS 42 -34.790 11.232 3.063 370 H GLY 43 HN GLY 43 -31.475 7.205 -1.956 371 1HA GLY 43 HA1 GLY 43 -32.431 6.205 -3.854 372 2HA GLY 43 HA2 GLY 43 -33.972 6.842 -3.284 373 H ASN 44 HN ASN 44 -31.648 4.276 -2.445 374 HA ASN 44 HA ASN 44 -33.373 2.116 -2.838 375 1HB ASN 44 HB1 ASN 44 -31.871 0.960 -1.092 376 2HB ASN 44 HB2 ASN 44 -31.092 2.521 -0.855 377 1HD2 ASN 44 HD21 ASN 44 -31.534 3.166 -3.810 378 2HD2 ASN 44 HD22 ASN 44 -30.328 2.287 -4.619 379 H LEU 45 HN LEU 45 -32.855 4.019 0.110 380 HA LEU 45 HA LEU 45 -34.503 2.540 1.847 381 1HB LEU 45 HB1 LEU 45 -34.019 5.561 1.649 382 2HB LEU 45 HB2 LEU 45 -33.104 4.429 2.619 383 HG LEU 45 HG LEU 45 -34.562 5.483 4.171 384 1HD1 LEU 45 HD11 LEU 45 -36.187 6.104 2.034 385 2HD1 LEU 45 HD12 LEU 45 -36.620 6.348 3.717 386 3HD1 LEU 45 HD13 LEU 45 -37.161 4.908 2.870 387 1HD2 LEU 45 HD21 LEU 45 -36.106 2.977 3.439 388 2HD2 LEU 45 HD22 LEU 45 -35.879 3.685 5.032 389 3HD2 LEU 45 HD23 LEU 45 -34.523 2.936 4.201 390 H THR 46 HN THR 46 -35.383 5.297 -0.226 391 HA THR 46 HA THR 46 -38.151 5.303 0.389 392 HB THR 46 HB THR 46 -36.682 6.055 -2.213 393 HG1 THR 46 HG1 THR 46 -36.354 7.845 -1.123 394 1HG2 THR 46 HG21 THR 46 -39.537 6.447 -1.204 395 2HG2 THR 46 HG22 THR 46 -39.017 6.041 -2.836 396 3HG2 THR 46 HG23 THR 46 -38.798 7.677 -2.224 397 H LYS 47 HN LYS 47 -36.287 3.403 -1.914 398 HA LYS 47 HA LYS 47 -38.547 2.275 -3.285 399 1HB LYS 47 HB1 LYS 47 -36.126 0.566 -2.984 400 2HB LYS 47 HB2 LYS 47 -35.796 2.184 -3.591 401 1HG LYS 47 HG1 LYS 47 -37.432 1.887 -5.387 402 2HG LYS 47 HG2 LYS 47 -37.891 0.313 -4.745 403 1HD LYS 47 HD1 LYS 47 -35.459 -0.389 -5.040 404 2HD LYS 47 HD2 LYS 47 -35.218 1.108 -5.933 405 1HE LYS 47 HE1 LYS 47 -35.736 -0.815 -7.438 406 2HE LYS 47 HE2 LYS 47 -36.942 0.460 -7.550 407 1HZ LYS 47 HZ1 LYS 47 -37.517 -2.109 -7.157 408 2HZ LYS 47 HZ2 LYS 47 -38.518 -0.830 -6.663 409 3HZ LYS 47 HZ3 LYS 47 -37.466 -1.563 -5.549 410 H HIS 48 HN HIS 48 -36.827 1.419 -0.347 411 HA HIS 48 HA HIS 48 -38.054 -1.186 -0.073 412 1HB HIS 48 HB1 HIS 48 -36.756 0.700 1.959 413 2HB HIS 48 HB2 HIS 48 -35.989 -0.669 1.158 414 HD1 HIS 48 HD1 HIS 48 -37.526 -2.957 1.678 415 HD2 HIS 48 HD2 HIS 48 -37.657 0.026 4.471 416 HE1 HIS 48 HE1 HIS 48 -38.340 -4.019 3.725 417 H MET 49 HN MET 49 -38.960 2.064 0.810 418 HA MET 49 HA MET 49 -41.127 1.172 2.566 419 1HB MET 49 HB1 MET 49 -41.729 3.658 2.474 420 2HB MET 49 HB2 MET 49 -40.381 3.881 1.364 421 1HG MET 49 HG1 MET 49 -38.817 3.050 3.019 422 2HG MET 49 HG2 MET 49 -40.118 2.633 4.103 423 1HE MET 49 HE1 MET 49 -41.720 4.380 5.188 424 2HE MET 49 HE2 MET 49 -40.802 5.487 6.206 425 3HE MET 49 HE3 MET 49 -40.368 3.779 6.147 426 H LYS 50 HN LYS 50 -40.834 2.482 -0.714 427 HA LYS 50 HA LYS 50 -43.557 2.782 -1.328 428 1HB LYS 50 HB1 LYS 50 -41.570 1.554 -3.279 429 2HB LYS 50 HB2 LYS 50 -41.419 3.236 -2.789 430 1HG LYS 50 HG1 LYS 50 -44.027 2.108 -3.847 431 2HG LYS 50 HG2 LYS 50 -42.796 2.747 -4.928 432 1HD LYS 50 HD1 LYS 50 -43.416 4.874 -4.468 433 2HD LYS 50 HD2 LYS 50 -43.267 4.603 -2.738 434 1HE LYS 50 HE1 LYS 50 -45.595 5.216 -3.432 435 2HE LYS 50 HE2 LYS 50 -45.507 3.646 -2.643 436 1HZ LYS 50 HZ1 LYS 50 -45.888 4.260 -5.497 437 2HZ LYS 50 HZ2 LYS 50 -46.799 3.242 -4.488 438 3HZ LYS 50 HZ3 LYS 50 -45.261 2.756 -5.019 439 H SER 51 HN SER 51 -41.564 -0.147 -1.517 440 HA SER 51 HA SER 51 -43.366 -1.908 -2.702 441 1HB SER 51 HB1 SER 51 -41.364 -2.283 -0.426 442 2HB SER 51 HB2 SER 51 -41.223 -2.822 -2.110 443 HG SER 51 HG1 SER 51 -42.179 -4.210 -0.140 444 H LYS 52 HN LYS 52 -44.780 -3.533 -1.727 445 HA LYS 52 HA LYS 52 -46.681 -2.277 0.062 446 1HB LYS 52 HB1 LYS 52 -47.443 -4.913 0.001 447 2HB LYS 52 HB2 LYS 52 -46.430 -4.855 -1.437 448 1HG LYS 52 HG1 LYS 52 -48.552 -4.236 -2.262 449 2HG LYS 52 HG2 LYS 52 -47.758 -2.685 -2.012 450 1HD LYS 52 HD1 LYS 52 -48.843 -3.091 0.461 451 2HD LYS 52 HD2 LYS 52 -50.038 -3.897 -0.550 452 1HE LYS 52 HE1 LYS 52 -49.036 -1.051 -0.900 453 2HE LYS 52 HE2 LYS 52 -50.617 -1.520 -0.286 454 1HZ LYS 52 HZ1 LYS 52 -49.747 -1.261 -2.964 455 2HZ LYS 52 HZ2 LYS 52 -51.318 -1.506 -2.365 456 3HZ LYS 52 HZ3 LYS 52 -50.315 -2.837 -2.687 457 H ALA 53 HN ALA 53 -43.774 -3.367 0.809 458 HA ALA 53 HA ALA 53 -43.942 -5.290 2.811 459 1HB ALA 53 HB1 ALA 53 -42.055 -3.952 3.930 460 2HB ALA 53 HB2 ALA 53 -42.328 -2.695 2.727 461 3HB ALA 53 HB3 ALA 53 -41.788 -4.294 2.223 462 H HIS 54 HN HIS 54 -43.347 -2.165 4.184 463 HA HIS 54 HA HIS 54 -45.963 -2.165 5.548 464 1HB HIS 54 HB1 HIS 54 -44.884 -3.366 7.226 465 2HB HIS 54 HB2 HIS 54 -44.414 -1.746 7.720 466 HD1 HIS 54 HD1 HIS 54 -42.991 -4.854 6.636 467 HD2 HIS 54 HD2 HIS 54 -41.708 -0.973 6.751 468 HE1 HIS 54 HE1 HIS 54 -40.552 -4.966 6.450 469 H SER 55 HN SER 55 -46.289 -0.230 4.407 470 HA SER 55 HA SER 55 -45.151 2.103 5.800 471 1HB SER 55 HB1 SER 55 -43.538 2.200 4.075 472 2HB SER 55 HB2 SER 55 -44.862 3.028 3.233 473 HG SER 55 HG1 SER 55 -45.387 0.481 3.054 474 H LYS 56 HN LYS 56 -47.401 2.126 6.464 475 HA LYS 56 HA LYS 56 -49.635 2.311 4.780 476 1HB LYS 56 HB1 LYS 56 -50.600 3.756 6.663 477 2HB LYS 56 HB2 LYS 56 -49.004 3.741 7.405 478 1HG LYS 56 HG1 LYS 56 -49.066 1.271 7.498 479 2HG LYS 56 HG2 LYS 56 -50.654 1.278 6.740 480 1HD LYS 56 HD1 LYS 56 -51.649 2.384 8.625 481 2HD LYS 56 HD2 LYS 56 -50.076 2.757 9.320 482 1HE LYS 56 HE1 LYS 56 -49.644 0.426 9.784 483 2HE LYS 56 HE2 LYS 56 -51.056 -0.076 8.862 484 1HZ LYS 56 HZ1 LYS 56 -51.985 1.710 10.739 485 2HZ LYS 56 HZ2 LYS 56 -50.882 0.725 11.572 486 3HZ LYS 56 HZ3 LYS 56 -52.185 0.023 10.741 487 H LYS 57 HN LYS 57 -48.981 5.286 6.424 488 HA LYS 57 HA LYS 57 -49.785 6.921 4.292 489 1HB LYS 57 HB1 LYS 57 -49.150 8.709 5.683 490 2HB LYS 57 HB2 LYS 57 -47.673 7.908 6.207 491 1HG LYS 57 HG1 LYS 57 -48.786 6.596 7.789 492 2HG LYS 57 HG2 LYS 57 -50.324 6.698 6.939 493 1HD LYS 57 HD1 LYS 57 -49.150 9.247 7.967 494 2HD LYS 57 HD2 LYS 57 -49.842 8.140 9.147 495 1HE LYS 57 HE1 LYS 57 -51.364 8.841 6.641 496 2HE LYS 57 HE2 LYS 57 -51.407 9.913 8.035 497 1HZ LYS 57 HZ1 LYS 57 -53.142 8.018 7.766 498 2HZ LYS 57 HZ2 LYS 57 -52.510 8.391 9.298 499 3HZ LYS 57 LYS 57 -51.915 7.055 8.434 Start of MODEL 40 Raw file had 499 H/Q atoms Start of MODEL 40 1 1H LYS 1 HT1 LYS 1 -12.637 -9.176 -12.931 2 2H LYS 1 HT2 LYS 1 -11.795 -7.788 -12.432 3 3H LYS 1 HT3 LYS 1 -13.489 -7.838 -12.326 4 HA LYS 1 HA LYS 1 -13.072 -9.888 -10.829 5 1HB LYS 1 HB1 LYS 1 -10.847 -8.805 -9.513 6 2HB LYS 1 HB2 LYS 1 -10.408 -8.656 -11.210 7 1HG LYS 1 HG1 LYS 1 -9.665 -10.832 -10.572 8 2HG LYS 1 HG2 LYS 1 -11.161 -11.103 -11.459 9 1HD LYS 1 HD1 LYS 1 -11.835 -12.273 -9.632 10 2HD LYS 1 HD2 LYS 1 -12.061 -10.704 -8.870 11 1HE LYS 1 HE1 LYS 1 -9.579 -10.826 -8.226 12 2HE LYS 1 HE2 LYS 1 -9.643 -12.518 -8.704 13 1HZ LYS 1 HZ1 LYS 1 -11.708 -12.523 -7.141 14 2HZ LYS 1 HZ2 LYS 1 -10.943 -11.172 -6.452 15 3HZ LYS 1 HZ3 LYS 1 -10.141 -12.668 -6.504 16 OH TYR 2 OH TYR 2 -7.809 -4.185 -9.024 17 H TYR 2 HN TYR 2 -13.216 -6.555 -11.251 18 HA TYR 2 HA TYR 2 -13.732 -6.025 -8.370 19 1HB TYR 2 HB1 TYR 2 -13.904 -3.648 -9.149 20 2HB TYR 2 HB2 TYR 2 -13.669 -4.187 -10.808 21 HD1 TYR 2 HD2 TYR 2 -12.054 -4.102 -7.458 22 HD2 TYR 2 HD1 TYR 2 -11.478 -4.615 -11.640 23 HE1 TYR 2 HE2 TYR 2 -9.626 -3.989 -7.139 24 HE2 TYR 2 HE1 TYR 2 -9.049 -4.509 -11.318 25 HH TYR 2 HH TYR 2 -7.640 -4.034 -8.091 26 H ILE 3 HN ILE 3 -15.615 -7.644 -8.976 27 HA ILE 3 HA ILE 3 -18.006 -5.930 -9.492 28 HB ILE 3 HB ILE 3 -17.683 -8.856 -10.314 29 1HG1 ILE 3 HG11 ILE 3 -16.892 -6.348 -11.658 30 2HG1 ILE 3 HG12 ILE 3 -17.896 -7.406 -12.641 31 1HG2 ILE 3 HG21 ILE 3 -19.764 -8.396 -11.588 32 2HG2 ILE 3 HG22 ILE 3 -19.724 -6.708 -11.089 33 3HG2 ILE 3 HG23 ILE 3 -20.019 -7.970 -9.899 34 1HD1 ILE 3 HD1 ILE 3 -15.360 -7.820 -12.750 35 2HD1 ILE 3 HD2 ILE 3 -16.366 -9.228 -12.427 36 3HD1 ILE 3 HD3 ILE 3 -15.500 -8.444 -11.110 37 H CYS 4 HN CYS 4 -19.221 -5.868 -7.695 38 HA CYS 4 HA CYS 4 -18.774 -7.652 -5.514 39 1HB CYS 4 HB1 CYS 4 -21.061 -5.789 -6.165 40 2HB CYS 4 HB2 CYS 4 -19.741 -5.488 -5.076 41 H GLU 5 HN GLU 5 -19.187 -9.714 -5.560 42 HA GLU 5 HA GLU 5 -21.006 -10.987 -7.326 43 1HB GLU 5 HB1 GLU 5 -20.631 -12.985 -5.856 44 2HB GLU 5 HB2 GLU 5 -19.877 -11.943 -4.655 45 1HG GLU 5 HG1 GLU 5 -18.681 -11.455 -7.240 46 2HG GLU 5 HG2 GLU 5 -18.626 -13.179 -6.882 47 H GLU 6 HN GLU 6 -21.556 -9.373 -4.340 48 HA GLU 6 HA GLU 6 -23.983 -10.822 -3.705 49 1HB GLU 6 HB1 GLU 6 -23.323 -8.070 -2.643 50 2HB GLU 6 HB2 GLU 6 -22.345 -9.440 -2.136 51 1HG GLU 6 HG1 GLU 6 -25.372 -9.442 -1.967 52 2HG GLU 6 HG2 GLU 6 -24.345 -8.915 -0.636 53 H CYS 7 HN CYS 7 -23.464 -7.371 -4.447 54 HA CYS 7 HA CYS 7 -26.244 -7.106 -5.298 55 1HB CYS 7 HB1 CYS 7 -25.670 -4.802 -5.749 56 2HB CYS 7 HB2 CYS 7 -23.973 -5.170 -5.846 57 H GLY 8 HN GLY 8 -23.109 -6.742 -6.909 58 1HA GLY 8 HA1 GLY 8 -24.421 -7.541 -9.476 59 2HA GLY 8 HA2 GLY 8 -22.759 -7.950 -9.063 60 H ILE 9 HN ILE 9 -22.537 -5.182 -7.808 61 HA ILE 9 HA ILE 9 -22.853 -3.308 -9.950 62 HB ILE 9 HB ILE 9 -22.587 -2.902 -7.359 63 1HG1 ILE 9 HG11 ILE 9 -22.817 -1.136 -9.120 64 2HG1 ILE 9 HG12 ILE 9 -21.071 -1.125 -9.308 65 1HG2 ILE 9 HG21 ILE 9 -20.242 -4.091 -7.498 66 2HG2 ILE 9 HG22 ILE 9 -20.333 -2.615 -6.562 67 3HG2 ILE 9 HG23 ILE 9 -19.661 -2.583 -8.184 68 1HD1 ILE 9 HD1 ILE 9 -22.442 -0.667 -6.647 69 2HD1 ILE 9 HD2 ILE 9 -22.011 0.645 -7.736 70 3HD1 ILE 9 HD3 ILE 9 -20.753 -0.371 -7.044 71 NH1 ARG 10 NH1 ARG 10 -20.149 -2.287 -16.867 72 NH2 ARG 10 NH2 ARG 10 -19.457 -3.900 -18.330 73 H ARG 10 HN ARG 10 -21.444 -2.626 -11.485 74 HA ARG 10 HA ARG 10 -18.906 -4.182 -11.710 75 1HB ARG 10 HB1 ARG 10 -20.436 -2.652 -13.866 76 2HB ARG 10 HB2 ARG 10 -20.663 -4.363 -13.546 77 1HG ARG 10 HG1 ARG 10 -17.916 -4.205 -13.783 78 2HG ARG 10 HG2 ARG 10 -18.438 -2.978 -14.926 79 1HD ARG 10 HD1 ARG 10 -19.452 -5.843 -14.874 80 2HD ARG 10 HD2 ARG 10 -18.252 -5.213 -16.000 81 HE ARG 10 HE ARG 10 -21.111 -4.813 -16.199 82 1HH1 ARG 10 HH11 ARG 10 -20.515 -2.046 -15.968 83 2HH1 ARG 10 HH12 ARG 10 -19.949 -1.568 -17.534 84 1HH2 ARG 10 HH21 ARG 10 -19.304 -4.868 -18.529 85 2HH2 ARG 10 HH22 ARG 10 -19.246 -3.208 -19.023 86 H ABA 11 HN ABU 11 -17.121 -3.108 -11.252 87 HA ABA 11 HA ABU 11 -16.940 -0.222 -12.023 88 1HB ABA 11 HB1 ABU 11 -15.719 0.184 -9.886 89 2HB ABA 11 HB2 ABU 11 -15.967 -1.483 -9.419 90 1HG ABA 11 HG1 ABU 11 -18.138 0.578 -9.906 91 2HG ABA 11 HG2 ABU 11 -17.664 -0.082 -8.343 92 3HG ABA 11 HG3 ABU 11 -18.436 -1.118 -9.541 93 H LYS 12 HN LYS 12 -15.596 -0.488 -13.709 94 HA LYS 12 HA LYS 12 -13.496 -2.357 -13.923 95 1HB LYS 12 HB1 LYS 12 -12.601 -0.493 -15.589 96 2HB LYS 12 HB2 LYS 12 -14.142 0.282 -15.238 97 1HG LYS 12 HG1 LYS 12 -15.322 -1.810 -15.880 98 2HG LYS 12 HG2 LYS 12 -13.775 -2.549 -16.272 99 1HD LYS 12 HD1 LYS 12 -13.370 -0.945 -18.032 100 2HD LYS 12 HD2 LYS 12 -14.756 0.023 -17.543 101 1HE LYS 12 HE1 LYS 12 -16.299 -1.708 -18.210 102 2HE LYS 12 HE2 LYS 12 -14.992 -2.862 -18.445 103 1HZ LYS 12 HZ1 LYS 12 -14.356 -0.704 -20.021 104 2HZ LYS 12 HZ2 LYS 12 -16.025 -0.929 -20.243 105 3HZ LYS 12 HZ3 LYS 12 -14.949 -2.209 -20.540 106 H LYS 13 HN LYS 13 -13.577 -0.246 -11.514 107 HA LYS 13 HA LYS 13 -10.629 -0.068 -11.456 108 1HB LYS 13 HB1 LYS 13 -10.908 2.318 -10.535 109 2HB LYS 13 HB2 LYS 13 -12.593 2.217 -11.040 110 1HG LYS 13 HG1 LYS 13 -11.988 1.986 -13.346 111 2HG LYS 13 HG2 LYS 13 -10.298 1.692 -12.949 112 1HD LYS 13 HD1 LYS 13 -11.385 4.229 -11.890 113 2HD LYS 13 HD2 LYS 13 -11.305 4.143 -13.648 114 1HE LYS 13 HE1 LYS 13 -8.960 3.735 -13.627 115 2HE LYS 13 HE2 LYS 13 -8.965 3.331 -11.915 116 1HZ LYS 13 HZ1 LYS 13 -9.009 5.490 -11.302 117 2HZ LYS 13 HZ2 LYS 13 -9.879 5.994 -12.669 118 3HZ LYS 13 HZ3 LYS 13 -8.216 5.677 -12.792 119 HA PRO 14 HA PRO 14 -11.186 -1.425 -7.271 120 1HB PRO 14 HB1 PRO 14 -8.957 -1.622 -6.709 121 2HB PRO 14 HB2 PRO 14 -8.998 0.044 -6.132 122 1HG PRO 14 HG1 PRO 14 -7.538 -0.902 -8.368 123 2HG PRO 14 HG2 PRO 14 -7.843 0.791 -7.977 124 1HD PRO 14 HD1 PRO 14 -9.099 0.901 -9.893 125 2HD PRO 14 HD2 PRO 14 -9.030 -0.862 -10.085 126 H SER 15 HN SER 15 -9.760 1.811 -6.902 127 HA SER 15 HA SER 15 -10.833 2.862 -4.711 128 1HB SER 15 HB1 SER 15 -9.683 4.196 -6.563 129 2HB SER 15 HB2 SER 15 -11.061 5.063 -5.855 130 HG SER 15 HG1 SER 15 -11.725 5.060 -7.867 131 H MET 16 HN MET 16 -12.844 2.480 -7.634 132 HA MET 16 HA MET 16 -15.213 3.497 -6.308 133 1HB MET 16 HB1 MET 16 -16.320 2.228 -8.358 134 2HB MET 16 HB2 MET 16 -14.663 1.955 -8.873 135 1HG MET 16 HG1 MET 16 -14.233 4.223 -9.206 136 2HG MET 16 HG2 MET 16 -15.513 4.738 -8.145 137 1HE MET 16 HE1 MET 16 -16.577 2.073 -10.983 138 2HE MET 16 HE2 MET 16 -14.898 2.595 -11.111 139 3HE MET 16 HE3 MET 16 -16.065 3.073 -12.342 140 H LEU 17 HN LEU 17 -14.337 0.183 -7.374 141 HA LEU 17 HA LEU 17 -16.472 -1.121 -6.056 142 1HB LEU 17 HB1 LEU 17 -13.650 -2.253 -6.194 143 2HB LEU 17 HB2 LEU 17 -14.588 -2.042 -7.649 144 HG LEU 17 HG LEU 17 -14.772 -4.360 -6.744 145 1HD1 LEU 17 HD11 LEU 17 -15.689 -4.848 -4.637 146 2HD1 LEU 17 HD12 LEU 17 -16.339 -3.232 -4.431 147 3HD1 LEU 17 HD13 LEU 17 -14.608 -3.499 -4.321 148 1HD2 LEU 17 HD21 LEU 17 -17.042 -4.622 -7.201 149 2HD2 LEU 17 HD22 LEU 17 -16.743 -3.050 -7.915 150 3HD2 LEU 17 HD23 LEU 17 -17.511 -3.162 -6.346 151 H LYS 18 HN LYS 18 -13.192 -0.432 -4.977 152 HA LYS 18 HA LYS 18 -13.005 -1.436 -2.476 153 1HB LYS 18 HB1 LYS 18 -12.391 1.471 -2.505 154 2HB LYS 18 HB2 LYS 18 -11.740 0.613 -3.892 155 1HG LYS 18 HG1 LYS 18 -11.362 -0.537 -1.130 156 2HG LYS 18 HG2 LYS 18 -10.331 0.780 -1.668 157 1HD LYS 18 HD1 LYS 18 -9.741 -0.545 -3.704 158 2HD LYS 18 HD2 LYS 18 -10.705 -1.880 -3.082 159 1HE LYS 18 HE1 LYS 18 -8.292 -2.140 -2.538 160 2HE LYS 18 HE2 LYS 18 -9.280 -2.010 -1.090 161 1HZ LYS 18 HZ1 LYS 18 -8.721 0.356 -0.996 162 2HZ LYS 18 HZ2 LYS 18 -7.703 0.167 -2.341 163 3HZ LYS 18 HZ3 LYS 18 -7.346 -0.634 -0.886 164 H LYS 19 HN LYS 19 -14.460 1.763 -3.080 165 HA LYS 19 HA LYS 19 -15.469 2.042 -0.438 166 1HB LYS 19 HB1 LYS 19 -17.152 3.618 -1.878 167 2HB LYS 19 HB2 LYS 19 -15.909 3.360 -3.095 168 1HG LYS 19 HG1 LYS 19 -14.200 4.029 -1.326 169 2HG LYS 19 HG2 LYS 19 -15.554 4.528 -0.320 170 1HD LYS 19 HD1 LYS 19 -16.298 5.878 -2.444 171 2HD LYS 19 HD2 LYS 19 -14.620 5.686 -2.940 172 1HE LYS 19 HE1 LYS 19 -15.726 7.133 -0.540 173 2HE LYS 19 HE2 LYS 19 -14.569 7.706 -1.734 174 1HZ LYS 19 HZ1 LYS 19 -13.022 7.157 -0.269 175 2HZ LYS 19 HZ2 LYS 19 -13.360 5.531 -0.628 176 3HZ LYS 19 HZ3 LYS 19 -14.113 6.283 0.696 177 H HIS 20 HN HIS 20 -16.881 0.682 -3.375 178 HA HIS 20 HA HIS 20 -19.547 0.453 -2.413 179 1HB HIS 20 HB1 HIS 20 -18.020 -1.360 -4.337 180 2HB HIS 20 HB2 HIS 20 -18.983 0.039 -4.798 181 HD1 HIS 20 HD1 HIS 20 -21.368 -0.563 -5.219 182 HD2 HIS 20 HD2 HIS 20 -19.561 -3.434 -2.977 183 HE1 HIS 20 HE1 HIS 20 -23.041 -2.331 -4.952 184 H ILE 21 HN ILE 21 -16.856 -1.901 -2.286 185 HA ILE 21 HA ILE 21 -18.402 -3.879 -0.946 186 HB ILE 21 HB ILE 21 -15.936 -3.959 -2.013 187 1HG1 ILE 21 HG11 ILE 21 -17.185 -5.586 0.185 188 2HG1 ILE 21 HG12 ILE 21 -15.550 -5.974 -0.333 189 1HG2 ILE 21 HG21 ILE 21 -15.303 -3.915 0.972 190 2HG2 ILE 21 HG22 ILE 21 -15.152 -2.460 0.006 191 3HG2 ILE 21 HG23 ILE 21 -14.175 -3.860 -0.377 192 1HD1 ILE 21 HD1 ILE 21 -17.190 -7.288 -1.617 193 2HD1 ILE 21 HD2 ILE 21 -16.349 -6.163 -2.678 194 3HD1 ILE 21 HD3 ILE 21 -17.987 -5.812 -2.142 195 NH1 ARG 22 NH1 ARG 22 -15.836 3.572 3.386 196 NH2 ARG 22 NH2 ARG 22 -13.978 3.892 4.677 197 H ARG 22 HN ARG 22 -16.778 -1.029 0.225 198 HA ARG 22 HA ARG 22 -16.800 -1.824 3.015 199 1HB ARG 22 HB1 ARG 22 -16.701 0.794 3.289 200 2HB ARG 22 HB2 ARG 22 -16.582 0.827 1.536 201 1HG ARG 22 HG1 ARG 22 -14.587 -0.585 1.601 202 2HG ARG 22 HG2 ARG 22 -14.739 -0.767 3.345 203 1HD ARG 22 HD1 ARG 22 -14.301 1.869 1.896 204 2HD ARG 22 HD2 ARG 22 -13.061 0.970 2.769 205 HE ARG 22 HE ARG 22 -14.660 1.290 4.802 206 1HH1 ARG 22 HH11 ARG 22 -16.438 2.946 2.892 207 2HH1 ARG 22 HH12 ARG 22 -16.034 4.552 3.395 208 1HH2 ARG 22 HH21 ARG 22 -13.187 3.503 5.152 209 2HH2 ARG 22 HH22 ARG 22 -14.146 4.878 4.708 210 H THR 23 HN THR 23 -19.142 -0.368 0.865 211 HA THR 23 HA THR 23 -20.916 0.679 2.828 212 HB THR 23 HB THR 23 -21.907 -0.702 0.281 213 HG1 THR 23 HG1 THR 23 -20.853 1.900 0.337 214 1HG2 THR 23 HG21 THR 23 -22.455 2.009 1.627 215 2HG2 THR 23 HG22 THR 23 -23.522 0.612 1.756 216 3HG2 THR 23 HG23 THR 23 -23.287 1.398 0.198 217 H HIS 24 HN HIS 24 -20.268 -2.612 1.877 218 HA HIS 24 HA HIS 24 -22.733 -3.668 3.031 219 1HB HIS 24 HB1 HIS 24 -21.354 -5.888 2.854 220 2HB HIS 24 HB2 HIS 24 -20.106 -4.906 2.089 221 HD1 HIS 24 HD1 HIS 24 -23.814 -5.347 1.569 222 HD2 HIS 24 HD2 HIS 24 -20.417 -4.830 -0.617 223 HE1 HIS 24 HE1 HIS 24 -24.533 -5.347 -0.793 224 H THR 25 HN THR 25 -20.762 -1.966 4.610 225 HA THR 25 HA THR 25 -20.088 -3.855 6.798 226 HB THR 25 HB THR 25 -18.927 -1.716 7.700 227 HG1 THR 25 HG1 THR 25 -18.830 -0.110 5.993 228 1HG2 THR 25 HG21 THR 25 -17.358 -3.003 6.419 229 2HG2 THR 25 HG22 THR 25 -17.405 -1.493 5.515 230 3HG2 THR 25 HG23 THR 25 -18.337 -2.880 4.961 231 H ASP 26 HN ASP 26 -20.538 -0.635 7.679 232 HA ASP 26 HA ASP 26 -23.327 -1.010 8.548 233 1HB ASP 26 HB1 ASP 26 -22.526 -0.245 10.930 234 2HB ASP 26 HB2 ASP 26 -20.926 -0.757 10.404 235 H VAL 27 HN VAL 27 -21.793 0.671 6.762 236 HA VAL 27 HA VAL 27 -21.999 3.336 8.039 237 HB VAL 27 HB VAL 27 -19.934 2.814 6.798 238 1HG1 VAL 27 HG11 VAL 27 -21.758 2.338 4.427 239 2HG1 VAL 27 HG12 VAL 27 -20.896 1.092 5.313 240 3HG1 VAL 27 HG13 VAL 27 -20.000 2.291 4.393 241 1HG2 VAL 27 HG21 VAL 27 -21.129 4.574 4.765 242 2HG2 VAL 27 HG22 VAL 27 -19.802 4.891 5.878 243 3HG2 VAL 27 HG23 VAL 27 -21.467 5.077 6.419 244 NH1 ARG 28 NH2 ARG 28 -26.346 -2.854 3.717 245 NH2 ARG 28 NH1 ARG 28 -26.049 -1.921 1.652 246 H ARG 28 HN ARG 28 -24.400 2.082 7.615 247 HA ARG 28 HA ARG 28 -25.611 3.608 5.346 248 1HB ARG 28 HB1 ARG 28 -27.446 1.796 5.606 249 2HB ARG 28 HB2 ARG 28 -26.301 0.941 6.633 250 1HG ARG 28 HG1 ARG 28 -24.764 1.585 4.436 251 2HG ARG 28 HG2 ARG 28 -26.329 1.241 3.716 252 1HD ARG 28 HD1 ARG 28 -26.373 -0.886 5.127 253 2HD ARG 28 HD2 ARG 28 -24.677 -0.572 5.489 254 HE ARG 28 HE ARG 28 -24.266 -0.716 3.006 255 1HH1 ARG 28 HH21 ARG 28 -26.159 -2.836 4.700 256 2HH1 ARG 28 HH22 ARG 28 -26.926 -3.571 3.332 257 1HH2 ARG 28 HH11 ARG 28 -25.640 -1.205 1.087 258 2HH2 ARG 28 HH12 ARG 28 -26.625 -2.623 1.231 259 HA PRO 29 HA PRO 29 -27.275 5.351 9.315 260 1HB PRO 29 HB1 PRO 29 -26.636 7.550 9.166 261 2HB PRO 29 HB2 PRO 29 -27.781 7.822 7.853 262 1HG PRO 29 HG1 PRO 29 -24.879 7.508 7.690 263 2HG PRO 29 HG2 PRO 29 -26.005 7.947 6.403 264 1HD PRO 29 HD1 PRO 29 -25.942 5.838 5.546 265 2HD PRO 29 HD2 PRO 29 -24.655 5.452 6.703 266 OH TYR 30 OH TYR 30 -28.862 10.563 2.940 267 H TYR 30 HN TYR 30 -28.582 5.588 6.029 268 HA TYR 30 HA TYR 30 -31.250 6.335 6.807 269 1HB TYR 30 HB1 TYR 30 -31.861 5.452 4.517 270 2HB TYR 30 HB2 TYR 30 -30.249 4.762 4.378 271 HD1 TYR 30 HD1 TYR 30 -31.869 8.044 5.199 272 HD2 TYR 30 HD2 TYR 30 -28.612 6.061 3.314 273 HE1 TYR 30 HE1 TYR 30 -31.024 10.199 4.389 274 HE2 TYR 30 HE2 TYR 30 -27.765 8.215 2.510 275 HH TYR 30 HH TYR 30 -28.046 10.400 2.460 276 H HIS 31 HN HIS 31 -31.900 5.034 8.554 277 HA HIS 31 HA HIS 31 -32.115 2.103 8.057 278 1HB HIS 31 HB1 HIS 31 -32.991 2.367 10.596 279 2HB HIS 31 HB2 HIS 31 -32.109 3.888 10.480 280 HD1 HIS 31 HD1 HIS 31 -31.519 0.514 11.215 281 HD2 HIS 31 HD2 HIS 31 -29.319 3.409 9.415 282 HE1 HIS 31 HE1 HIS 31 -29.228 -0.280 11.330 283 H CYS 32 HN CYS 32 -34.066 0.997 8.079 284 HA CYS 32 HA CYS 32 -36.401 2.511 7.287 285 1HB CYS 32 HB1 CYS 32 -35.889 -0.396 8.020 286 2HB CYS 32 HB2 CYS 32 -36.195 0.267 6.436 287 H THR 33 HN THR 33 -38.195 3.068 8.448 288 HA THR 33 HA THR 33 -37.913 3.415 11.282 289 HB THR 33 HB THR 33 -40.632 3.400 9.887 290 HG1 THR 33 HG1 THR 33 -39.990 5.093 8.722 291 1HG2 THR 33 HG21 THR 33 -39.175 5.353 11.765 292 2HG2 THR 33 HG22 THR 33 -40.404 4.208 12.292 293 3HG2 THR 33 HG23 THR 33 -40.837 5.530 11.212 294 OH TYR 34 OH TYR 34 -44.624 2.848 8.736 295 H TYR 34 HN TYR 34 -38.819 0.735 9.443 296 HA TYR 34 HA TYR 34 -40.168 -0.534 11.788 297 1HB TYR 34 HB1 TYR 34 -41.219 -2.052 10.165 298 2HB TYR 34 HB2 TYR 34 -40.220 -1.420 8.864 299 HD1 TYR 34 HD2 TYR 34 -40.445 1.159 8.390 300 HD2 TYR 34 HD1 TYR 34 -43.332 -1.090 10.560 301 HE1 TYR 34 HE2 TYR 34 -42.123 2.883 7.942 302 HE2 TYR 34 HE1 TYR 34 -45.015 0.635 10.096 303 HH TYR 34 HH TYR 34 -45.485 2.423 8.704 304 H CYS 35 HN CYS 35 -38.432 -1.815 8.961 305 HA CYS 35 HA CYS 35 -37.317 -4.019 10.414 306 1HB CYS 35 HB1 CYS 35 -35.968 -4.402 8.452 307 2HB CYS 35 HB2 CYS 35 -36.059 -2.733 7.975 308 H ASN 36 HN ASN 36 -34.835 -4.336 10.233 309 HA ASN 36 HA ASN 36 -33.593 -2.041 11.681 310 1HB ASN 36 HB1 ASN 36 -32.601 -4.928 11.563 311 2HB ASN 36 HB2 ASN 36 -33.785 -4.404 12.758 312 1HD2 ASN 36 HD21 ASN 36 -33.076 -2.906 14.424 313 2HD2 ASN 36 HD22 ASN 36 -31.430 -2.605 14.709 314 H PHE 37 HN PHE 37 -33.838 -3.214 8.700 315 HA PHE 37 HA PHE 37 -31.056 -3.364 7.880 316 1HB PHE 37 HB1 PHE 37 -33.336 -2.708 5.997 317 2HB PHE 37 HB2 PHE 37 -33.270 -4.306 6.738 318 HD1 PHE 37 HD2 PHE 37 -31.133 -5.681 6.456 319 HD2 PHE 37 HD1 PHE 37 -31.892 -2.158 4.187 320 HE1 PHE 37 HE2 PHE 37 -29.437 -6.367 4.817 321 HE2 PHE 37 HE1 PHE 37 -30.193 -2.848 2.552 322 HZ PHE 37 HZ PHE 37 -28.965 -4.951 2.866 323 H SER 38 HN SER 38 -30.290 -1.854 6.087 324 HA SER 38 HA SER 38 -31.368 0.855 6.260 325 1HB SER 38 HB1 SER 38 -28.486 0.383 7.124 326 2HB SER 38 HB2 SER 38 -29.811 0.482 8.292 327 HG SER 38 HG1 SER 38 -28.681 2.444 6.736 328 H PHE 39 HN PHE 39 -30.053 2.390 4.931 329 HA PHE 39 HA PHE 39 -28.594 0.978 2.747 330 1HB PHE 39 HB1 PHE 39 -29.931 2.121 1.098 331 2HB PHE 39 HB2 PHE 39 -30.578 3.240 2.298 332 HD1 PHE 39 HD2 PHE 39 -32.088 2.327 4.118 333 HD2 PHE 39 HD1 PHE 39 -31.003 -0.005 0.728 334 HE1 PHE 39 HE2 PHE 39 -33.911 0.765 4.614 335 HE2 PHE 39 HE1 PHE 39 -32.833 -1.570 1.229 336 HZ PHE 39 HZ PHE 39 -34.277 -1.191 3.183 337 H LYS 40 HN LYS 40 -27.312 2.436 1.416 338 HA LYS 40 HA LYS 40 -25.958 4.416 3.111 339 1HB LYS 40 HB1 LYS 40 -25.440 3.365 0.291 340 2HB LYS 40 HB2 LYS 40 -24.637 2.838 1.755 341 1HG LYS 40 HG1 LYS 40 -24.447 5.606 0.513 342 2HG LYS 40 HG2 LYS 40 -23.180 4.391 0.548 343 1HD LYS 40 HD1 LYS 40 -23.624 4.472 3.159 344 2HD LYS 40 HD2 LYS 40 -24.242 6.074 2.784 345 1HE LYS 40 HE1 LYS 40 -21.876 6.279 3.291 346 2HE LYS 40 HE2 LYS 40 -22.087 6.543 1.565 347 1HZ LYS 40 HZ1 LYS 40 -21.517 4.183 1.225 348 2HZ LYS 40 HZ2 LYS 40 -21.179 4.047 2.883 349 3HZ LYS 40 HZ3 LYS 40 -20.253 5.086 1.910 350 H THR 41 HN THR 41 -28.309 4.405 0.614 351 HA THR 41 HA THR 41 -27.964 7.367 0.316 352 HB THR 41 HB THR 41 -28.661 7.156 -2.008 353 HG1 THR 41 HG1 THR 41 -29.388 4.933 -2.575 354 1HG2 THR 41 HG21 THR 41 -26.368 5.918 -1.317 355 2HG2 THR 41 HG22 THR 41 -27.037 5.634 -2.920 356 3HG2 THR 41 HG23 THR 41 -27.295 4.456 -1.637 357 H LYS 42 HN LYS 42 -29.872 8.589 -0.008 358 HA LYS 42 HA LYS 42 -32.034 7.709 1.686 359 1HB LYS 42 HB1 LYS 42 -31.840 10.146 -0.145 360 2HB LYS 42 HB2 LYS 42 -31.259 10.105 1.516 361 1HG LYS 42 HG1 LYS 42 -33.335 10.716 2.166 362 2HG LYS 42 HG2 LYS 42 -33.894 9.130 1.647 363 1HD LYS 42 HD1 LYS 42 -34.257 10.003 -0.640 364 2HD LYS 42 HD2 LYS 42 -33.697 11.590 -0.124 365 1HE LYS 42 HE1 LYS 42 -35.570 11.256 1.745 366 2HE LYS 42 HE2 LYS 42 -36.253 10.174 0.538 367 1HZ LYS 42 HZ1 LYS 42 -36.842 12.689 0.549 368 2HZ LYS 42 HZ2 LYS 42 -36.615 11.867 -0.919 369 3HZ LYS 42 HZ3 LYS 42 -35.375 12.843 -0.292 370 H GLY 43 HN GLY 43 -31.337 7.543 -1.656 371 1HA GLY 43 HA1 GLY 43 -32.634 6.862 -3.498 372 2HA GLY 43 HA2 GLY 43 -34.044 7.500 -2.654 373 H ASN 44 HN ASN 44 -31.733 4.817 -2.249 374 HA ASN 44 HA ASN 44 -33.426 2.681 -2.678 375 1HB ASN 44 HB1 ASN 44 -31.984 1.499 -0.871 376 2HB ASN 44 HB2 ASN 44 -31.202 3.058 -0.627 377 1HD2 ASN 44 HD21 ASN 44 -29.998 0.570 -1.752 378 2HD2 ASN 44 HD22 ASN 44 -29.447 0.981 -3.304 379 H LEU 45 HN LEU 45 -33.274 4.741 0.151 380 HA LEU 45 HA LEU 45 -34.806 3.154 1.926 381 1HB LEU 45 HB1 LEU 45 -34.959 6.199 1.664 382 2HB LEU 45 HB2 LEU 45 -33.570 5.394 2.373 383 HG LEU 45 HG LEU 45 -35.074 6.137 4.150 384 1HD1 LEU 45 HD11 LEU 45 -37.366 5.736 4.244 385 2HD1 LEU 45 HD12 LEU 45 -37.289 4.326 3.203 386 3HD1 LEU 45 HD13 LEU 45 -37.130 5.934 2.513 387 1HD2 LEU 45 HD21 LEU 45 -35.593 3.174 4.099 388 2HD2 LEU 45 HD22 LEU 45 -35.027 4.191 5.414 389 3HD2 LEU 45 HD23 LEU 45 -33.935 3.749 4.112 390 H THR 46 HN THR 46 -35.921 5.797 -0.191 391 HA THR 46 HA THR 46 -38.687 5.425 0.264 392 HB THR 46 HB THR 46 -37.264 6.341 -2.311 393 HG1 THR 46 HG1 THR 46 -38.128 7.514 0.120 394 1HG2 THR 46 HG21 THR 46 -39.494 7.803 -2.268 395 2HG2 THR 46 HG22 THR 46 -40.121 6.515 -1.244 396 3HG2 THR 46 HG23 THR 46 -39.606 6.160 -2.889 397 H LYS 47 HN LYS 47 -36.475 3.775 -1.911 398 HA LYS 47 HA LYS 47 -38.490 2.396 -3.427 399 1HB LYS 47 HB1 LYS 47 -35.600 1.635 -2.778 400 2HB LYS 47 HB2 LYS 47 -36.133 2.548 -4.185 401 1HG LYS 47 HG1 LYS 47 -37.612 0.531 -4.750 402 2HG LYS 47 HG2 LYS 47 -36.706 -0.351 -3.526 403 1HD LYS 47 HD1 LYS 47 -35.254 -0.812 -5.219 404 2HD LYS 47 HD2 LYS 47 -34.685 0.835 -4.971 405 1HE LYS 47 HE1 LYS 47 -35.180 0.717 -7.296 406 2HE LYS 47 HE2 LYS 47 -36.563 1.544 -6.590 407 1HZ LYS 47 HZ1 LYS 47 -37.573 -0.772 -6.421 408 2HZ LYS 47 HZ2 LYS 47 -36.367 -1.246 -7.519 409 3HZ LYS 47 HZ3 LYS 47 -37.493 -0.053 -7.958 410 H HIS 48 HN HIS 48 -36.650 1.514 -0.521 411 HA HIS 48 HA HIS 48 -37.750 -1.125 -0.302 412 1HB HIS 48 HB1 HIS 48 -36.536 0.807 1.727 413 2HB HIS 48 HB2 HIS 48 -35.773 -0.603 0.999 414 HD1 HIS 48 HD1 HIS 48 -37.161 -2.885 1.674 415 HD2 HIS 48 HD2 HIS 48 -37.639 0.295 4.197 416 HE1 HIS 48 HE1 HIS 48 -38.015 -3.835 3.762 417 H MET 49 HN MET 49 -38.892 2.027 0.681 418 HA MET 49 HA MET 49 -41.021 0.930 2.364 419 1HB MET 49 HB1 MET 49 -41.816 3.423 2.167 420 2HB MET 49 HB2 MET 49 -40.301 3.696 1.315 421 1HG MET 49 HG1 MET 49 -39.071 2.737 3.232 422 2HG MET 49 HG2 MET 49 -40.576 2.498 4.077 423 1HE MET 49 HE1 MET 49 -38.739 5.039 6.235 424 2HE MET 49 HE2 MET 49 -38.420 3.458 5.520 425 3HE MET 49 HE3 MET 49 -39.957 3.767 6.326 426 H LYS 50 HN LYS 50 -40.738 2.293 -0.885 427 HA LYS 50 HA LYS 50 -43.480 2.419 -1.542 428 1HB LYS 50 HB1 LYS 50 -41.380 1.442 -3.511 429 2HB LYS 50 HB2 LYS 50 -41.330 3.097 -2.912 430 1HG LYS 50 HG1 LYS 50 -43.681 3.417 -3.669 431 2HG LYS 50 HG2 LYS 50 -43.679 1.782 -4.319 432 1HD LYS 50 HD1 LYS 50 -41.652 2.456 -5.706 433 2HD LYS 50 HD2 LYS 50 -41.953 4.113 -5.199 434 1HE LYS 50 HE1 LYS 50 -43.915 2.323 -6.670 435 2HE LYS 50 HE2 LYS 50 -43.030 3.672 -7.372 436 1HZ LYS 50 HZ1 LYS 50 -44.710 4.944 -6.758 437 2HZ LYS 50 HZ2 LYS 50 -44.267 4.687 -5.139 438 3HZ LYS 50 HZ3 LYS 50 -45.434 3.691 -5.869 439 H SER 51 HN SER 51 -41.683 -0.269 -0.687 440 HA SER 51 HA SER 51 -42.960 -2.231 -2.400 441 1HB SER 51 HB1 SER 51 -41.706 -2.717 0.351 442 2HB SER 51 HB2 SER 51 -40.737 -2.534 -1.125 443 HG SER 51 HG1 SER 51 -41.354 -4.728 -0.723 444 H LYS 52 HN LYS 52 -44.162 -4.104 -1.259 445 HA LYS 52 HA LYS 52 -46.442 -2.850 0.164 446 1HB LYS 52 HB1 LYS 52 -47.253 -4.210 -1.597 447 2HB LYS 52 HB2 LYS 52 -47.339 -5.325 -0.240 448 1HG LYS 52 HG1 LYS 52 -46.165 -6.669 -1.702 449 2HG LYS 52 HG2 LYS 52 -44.803 -5.812 -0.990 450 1HD LYS 52 HD1 LYS 52 -44.363 -5.474 -3.249 451 2HD LYS 52 HD2 LYS 52 -45.341 -4.050 -2.916 452 1HE LYS 52 HE1 LYS 52 -47.372 -5.397 -3.614 453 2HE LYS 52 HE2 LYS 52 -46.270 -6.663 -4.142 454 1HZ LYS 52 HZ1 LYS 52 -46.735 -4.009 -5.277 455 2HZ LYS 52 HZ2 LYS 52 -46.513 -5.500 -6.058 456 3HZ LYS 52 HZ3 LYS 52 -45.178 -4.674 -5.410 457 H ALA 53 HN ALA 53 -43.723 -3.699 1.318 458 HA ALA 53 HA ALA 53 -44.260 -5.890 3.114 459 1HB ALA 53 HB1 ALA 53 -42.273 -3.580 3.399 460 2HB ALA 53 HB2 ALA 53 -41.954 -5.070 2.517 461 3HB ALA 53 HB3 ALA 53 -42.196 -5.114 4.260 462 H HIS 54 HN HIS 54 -43.565 -2.573 4.166 463 HA HIS 54 HA HIS 54 -46.017 -2.619 5.821 464 1HB HIS 54 HB1 HIS 54 -44.612 -3.345 7.523 465 2HB HIS 54 HB2 HIS 54 -44.294 -1.620 7.655 466 HD1 HIS 54 HD1 HIS 54 -42.784 -4.688 6.250 467 HD2 HIS 54 HD2 HIS 54 -41.673 -0.816 6.953 468 HE1 HIS 54 HE1 HIS 54 -40.354 -4.641 5.963 469 H SER 55 HN SER 55 -46.739 -0.988 4.435 470 HA SER 55 HA SER 55 -45.711 1.680 5.203 471 1HB SER 55 HB1 SER 55 -44.521 1.299 3.100 472 2HB SER 55 HB2 SER 55 -45.911 2.315 2.668 473 HG SER 55 HG1 SER 55 -46.521 -0.338 2.819 474 H LYS 56 HN LYS 56 -48.191 -0.303 3.717 475 HA LYS 56 HA LYS 56 -50.124 1.752 3.283 476 1HB LYS 56 HB1 LYS 56 -51.753 -0.134 3.252 477 2HB LYS 56 HB2 LYS 56 -50.564 -1.186 4.009 478 1HG LYS 56 HG1 LYS 56 -49.056 -0.877 2.064 479 2HG LYS 56 HG2 LYS 56 -50.258 0.160 1.303 480 1HD LYS 56 HD1 LYS 56 -51.698 -1.608 0.851 481 2HD LYS 56 HD2 LYS 56 -51.120 -2.565 2.209 482 1HE LYS 56 HE1 LYS 56 -49.067 -3.103 1.048 483 2HE LYS 56 HE2 LYS 56 -49.434 -1.961 -0.238 484 1HZ LYS 56 HZ1 LYS 56 -49.960 -4.552 -0.387 485 2HZ LYS 56 HZ2 LYS 56 -50.857 -3.372 -1.215 486 3HZ LYS 56 HZ3 LYS 56 -51.434 -4.004 0.252 487 H LYS 57 HN LYS 57 -50.528 -0.752 5.753 488 HA LYS 57 HA LYS 57 -52.274 0.733 7.365 489 1HB LYS 57 HB1 LYS 57 -51.532 -0.870 9.199 490 2HB LYS 57 HB2 LYS 57 -50.258 -1.434 8.123 491 1HG LYS 57 HG1 LYS 57 -51.910 -2.976 7.598 492 2HG LYS 57 HG2 LYS 57 -52.304 -1.719 6.431 493 1HD LYS 57 HD1 LYS 57 -53.955 -0.769 8.019 494 2HD LYS 57 HD2 LYS 57 -53.564 -2.032 9.179 495 1HE LYS 57 HE1 LYS 57 -54.370 -2.817 6.393 496 2HE LYS 57 HE2 LYS 57 -55.616 -2.330 7.534 497 1HZ LYS 57 HZ1 LYS 57 -55.507 -4.310 8.463 498 2HZ LYS 57 HZ2 LYS 57 -53.861 -4.092 8.823 499 3HZ LYS 57 LYS 57 -54.323 -4.789 7.345 Start of MODEL 41 Raw file had 499 H/Q atoms Start of MODEL 41 1 1H LYS 1 HT1 LYS 1 -7.315 -4.371 -7.041 2 2H LYS 1 HT2 LYS 1 -6.751 -5.445 -8.230 3 3H LYS 1 HT3 LYS 1 -6.653 -5.868 -6.589 4 HA LYS 1 HA LYS 1 -8.875 -6.026 -8.428 5 1HB LYS 1 HB1 LYS 1 -9.455 -7.917 -6.999 6 2HB LYS 1 HB2 LYS 1 -8.412 -7.335 -5.707 7 1HG LYS 1 HG1 LYS 1 -6.429 -7.681 -7.135 8 2HG LYS 1 HG2 LYS 1 -7.462 -8.233 -8.449 9 1HD LYS 1 HD1 LYS 1 -8.052 -9.661 -5.980 10 2HD LYS 1 HD2 LYS 1 -6.355 -9.825 -6.418 11 1HE LYS 1 HE1 LYS 1 -6.953 -10.613 -8.644 12 2HE LYS 1 HE2 LYS 1 -8.657 -10.297 -8.340 13 1HZ LYS 1 HZ1 LYS 1 -8.591 -12.488 -7.857 14 2HZ LYS 1 HZ2 LYS 1 -8.174 -11.893 -6.321 15 3HZ LYS 1 HZ3 LYS 1 -6.965 -12.465 -7.369 16 OH TYR 2 OH TYR 2 -5.886 0.342 -6.191 17 H TYR 2 HN TYR 2 -9.882 -3.986 -8.182 18 HA TYR 2 HA TYR 2 -10.899 -3.297 -5.487 19 1HB TYR 2 HB1 TYR 2 -11.773 -1.264 -6.661 20 2HB TYR 2 HB2 TYR 2 -11.216 -1.919 -8.197 21 HD1 TYR 2 HD2 TYR 2 -10.071 -0.760 -4.861 22 HD2 TYR 2 HD1 TYR 2 -8.917 -1.733 -8.836 23 HE1 TYR 2 HE2 TYR 2 -7.862 0.227 -4.462 24 HE2 TYR 2 HE1 TYR 2 -6.703 -0.760 -8.432 25 HH TYR 2 HH TYR 2 -5.787 0.470 -5.244 26 H ILE 3 HN ILE 3 -12.005 -5.613 -6.077 27 HA ILE 3 HA ILE 3 -14.788 -4.911 -6.931 28 HB ILE 3 HB ILE 3 -13.470 -7.648 -7.220 29 1HG1 ILE 3 HG11 ILE 3 -12.203 -6.046 -8.579 30 2HG1 ILE 3 HG12 ILE 3 -13.694 -5.417 -9.273 31 1HG2 ILE 3 HG21 ILE 3 -15.412 -8.192 -8.469 32 2HG2 ILE 3 HG22 ILE 3 -15.733 -6.513 -8.889 33 3HG2 ILE 3 HG23 ILE 3 -16.087 -7.097 -7.267 34 1HD1 ILE 3 HD1 ILE 3 -14.120 -7.418 -10.463 35 2HD1 ILE 3 HD2 ILE 3 -13.020 -8.356 -9.458 36 3HD1 ILE 3 HD3 ILE 3 -12.380 -7.208 -10.631 37 H CYS 4 HN CYS 4 -16.391 -5.504 -5.551 38 HA CYS 4 HA CYS 4 -15.610 -6.423 -2.940 39 1HB CYS 4 HB1 CYS 4 -17.526 -4.874 -3.359 40 2HB CYS 4 HB2 CYS 4 -18.362 -6.196 -4.102 41 H GLU 5 HN GLU 5 -15.003 -8.445 -2.670 42 HA GLU 5 HA GLU 5 -15.781 -10.637 -4.257 43 1HB GLU 5 HB1 GLU 5 -14.870 -12.024 -2.430 44 2HB GLU 5 HB2 GLU 5 -15.033 -10.689 -1.295 45 1HG GLU 5 HG1 GLU 5 -13.272 -9.474 -2.273 46 2HG GLU 5 HG2 GLU 5 -13.400 -10.338 -3.804 47 H GLU 6 HN GLU 6 -17.544 -8.918 -1.914 48 HA GLU 6 HA GLU 6 -19.351 -11.151 -1.355 49 1HB GLU 6 HB1 GLU 6 -19.788 -8.283 -0.475 50 2HB GLU 6 HB2 GLU 6 -18.556 -9.263 0.308 51 1HG GLU 6 HG1 GLU 6 -20.659 -9.458 1.554 52 2HG GLU 6 HG2 GLU 6 -20.291 -11.001 0.790 53 H CYS 7 HN CYS 7 -19.964 -7.760 -2.288 54 HA CYS 7 HA CYS 7 -22.515 -8.414 -3.469 55 1HB CYS 7 HB1 CYS 7 -22.411 -6.112 -4.352 56 2HB CYS 7 HB2 CYS 7 -20.719 -6.023 -4.004 57 H GLY 8 HN GLY 8 -19.453 -7.374 -4.920 58 1HA GLY 8 HA1 GLY 8 -20.219 -8.831 -7.419 59 2HA GLY 8 HA2 GLY 8 -18.558 -8.686 -6.847 60 H ILE 9 HN ILE 9 -19.597 -5.848 -5.992 61 HA ILE 9 HA ILE 9 -20.101 -4.361 -8.343 62 HB ILE 9 HB ILE 9 -20.282 -3.627 -5.872 63 1HG1 ILE 9 HG11 ILE 9 -19.203 -2.008 -8.146 64 2HG1 ILE 9 HG12 ILE 9 -19.262 -1.255 -6.556 65 1HG2 ILE 9 HG21 ILE 9 -17.406 -2.737 -6.274 66 2HG2 ILE 9 HG22 ILE 9 -17.742 -4.328 -5.607 67 3HG2 ILE 9 HG23 ILE 9 -18.304 -2.888 -4.768 68 1HD1 ILE 9 HD1 ILE 9 -21.657 -2.735 -7.643 69 2HD1 ILE 9 HD2 ILE 9 -21.364 -1.058 -8.090 70 3HD1 ILE 9 HD3 ILE 9 -21.609 -1.489 -6.400 71 NH1 ARG 10 NH1 ARG 10 -15.431 -7.126 -15.351 72 NH2 ARG 10 NH2 ARG 10 -17.322 -7.838 -14.284 73 H ARG 10 HN ARG 10 -18.798 -3.347 -9.803 74 HA ARG 10 HA ARG 10 -15.897 -4.064 -9.693 75 1HB ARG 10 HB1 ARG 10 -17.582 -3.315 -12.126 76 2HB ARG 10 HB2 ARG 10 -17.367 -4.973 -11.586 77 1HG ARG 10 HG1 ARG 10 -14.772 -3.786 -11.696 78 2HG ARG 10 HG2 ARG 10 -15.595 -3.370 -13.192 79 1HD ARG 10 HD1 ARG 10 -15.385 -6.179 -12.053 80 2HD ARG 10 HD2 ARG 10 -14.408 -5.549 -13.378 81 HE ARG 10 HE ARG 10 -17.198 -5.196 -13.974 82 1HH1 ARG 10 HH11 ARG 10 -14.743 -6.414 -15.490 83 2HH1 ARG 10 HH12 ARG 10 -15.377 -7.982 -15.866 84 1HH2 ARG 10 HH21 ARG 10 -18.051 -7.659 -13.622 85 2HH2 ARG 10 HH22 ARG 10 -17.301 -8.705 -14.780 86 H ABA 11 HN ABU 11 -14.880 -2.314 -8.854 87 HA ABA 11 HA ABU 11 -15.307 0.293 -10.265 88 1HB ABA 11 HB1 ABU 11 -15.112 1.453 -8.147 89 2HB ABA 11 HB2 ABU 11 -14.626 -0.008 -7.315 90 1HG ABA 11 HG1 ABU 11 -16.856 -0.993 -7.731 91 2HG ABA 11 HG2 ABU 11 -17.344 0.472 -8.574 92 3HG ABA 11 HG3 ABU 11 -16.997 0.523 -6.849 93 H LYS 12 HN LYS 12 -13.485 -0.302 -11.543 94 HA LYS 12 HA LYS 12 -10.970 -1.111 -10.725 95 1HB LYS 12 HB1 LYS 12 -10.121 0.011 -12.740 96 2HB LYS 12 HB2 LYS 12 -11.515 1.082 -12.775 97 1HG LYS 12 HG1 LYS 12 -13.010 -0.765 -13.237 98 2HG LYS 12 HG2 LYS 12 -11.726 -1.938 -12.970 99 1HD LYS 12 HD1 LYS 12 -11.087 0.130 -14.983 100 2HD LYS 12 HD2 LYS 12 -12.418 -0.930 -15.433 101 1HE LYS 12 HE1 LYS 12 -9.824 -2.035 -14.340 102 2HE LYS 12 HE2 LYS 12 -10.025 -1.700 -16.055 103 1HZ LYS 12 HZ1 LYS 12 -10.949 -3.686 -16.205 104 2HZ LYS 12 HZ2 LYS 12 -12.277 -3.083 -15.335 105 3HZ LYS 12 HZ3 LYS 12 -11.015 -3.874 -14.518 106 H LYS 13 HN LYS 13 -12.489 1.892 -9.971 107 HA LYS 13 HA LYS 13 -9.888 3.108 -9.262 108 1HB LYS 13 HB1 LYS 13 -11.207 5.179 -8.931 109 2HB LYS 13 HB2 LYS 13 -12.702 4.268 -9.117 110 1HG LYS 13 HG1 LYS 13 -12.017 3.639 -11.421 111 2HG LYS 13 HG2 LYS 13 -10.545 4.586 -11.233 112 1HD LYS 13 HD1 LYS 13 -11.889 6.185 -12.233 113 2HD LYS 13 HD2 LYS 13 -12.297 6.487 -10.547 114 1HE LYS 13 HE1 LYS 13 -14.425 6.262 -11.470 115 2HE LYS 13 HE2 LYS 13 -14.111 4.604 -10.974 116 1HZ LYS 13 HZ1 LYS 13 -13.016 4.762 -13.457 117 2HZ LYS 13 HZ2 LYS 13 -14.430 5.690 -13.597 118 3HZ LYS 13 HZ3 LYS 13 -14.522 4.077 -13.072 119 HA PRO 14 HA PRO 14 -10.348 2.027 -4.957 120 1HB PRO 14 HB1 PRO 14 -8.313 2.821 -4.223 121 2HB PRO 14 HB2 PRO 14 -9.076 4.382 -3.920 122 1HG PRO 14 HG1 PRO 14 -7.102 3.844 -5.887 123 2HG PRO 14 HG2 PRO 14 -8.076 5.310 -5.769 124 1HD PRO 14 HD1 PRO 14 -9.059 4.707 -7.750 125 2HD PRO 14 HD2 PRO 14 -8.279 3.113 -7.691 126 H SER 15 HN SER 15 -10.393 5.589 -5.035 127 HA SER 15 HA SER 15 -12.055 6.319 -3.069 128 1HB SER 15 HB1 SER 15 -11.264 7.755 -5.097 129 2HB SER 15 HB2 SER 15 -12.866 8.168 -4.453 130 HG SER 15 HG1 SER 15 -12.485 7.583 -6.861 131 H MET 16 HN MET 16 -13.351 4.976 -6.100 132 HA MET 16 HA MET 16 -16.078 5.025 -5.191 133 1HB MET 16 HB1 MET 16 -16.254 3.183 -7.072 134 2HB MET 16 HB2 MET 16 -14.562 3.566 -7.375 135 1HG MET 16 HG1 MET 16 -15.678 5.019 -8.812 136 2HG MET 16 HG2 MET 16 -15.312 6.018 -7.430 137 1HE MET 16 HE1 MET 16 -19.256 5.029 -9.322 138 2HE MET 16 HE2 MET 16 -17.874 3.934 -9.291 139 3HE MET 16 HE3 MET 16 -17.730 5.515 -10.061 140 H LEU 17 HN LEU 17 -13.660 2.402 -5.359 141 HA LEU 17 HA LEU 17 -15.381 0.479 -4.086 142 1HB LEU 17 HB1 LEU 17 -12.340 0.444 -3.992 143 2HB LEU 17 HB2 LEU 17 -13.190 0.127 -5.487 144 HG LEU 17 HG LEU 17 -12.591 -1.974 -4.270 145 1HD1 LEU 17 HD11 LEU 17 -12.923 -0.852 -1.980 146 2HD1 LEU 17 HD12 LEU 17 -13.453 -2.520 -2.146 147 3HD1 LEU 17 HD13 LEU 17 -14.629 -1.219 -2.178 148 1HD2 LEU 17 HD21 LEU 17 -14.798 -1.619 -5.672 149 2HD2 LEU 17 HD22 LEU 17 -15.598 -1.815 -4.125 150 3HD2 LEU 17 HD23 LEU 17 -14.575 -3.097 -4.755 151 H LYS 18 HN LYS 18 -12.527 2.248 -2.888 152 HA LYS 18 HA LYS 18 -12.382 1.602 -0.268 153 1HB LYS 18 HB1 LYS 18 -11.982 4.121 0.186 154 2HB LYS 18 HB2 LYS 18 -12.396 4.391 -1.502 155 1HG LYS 18 HG1 LYS 18 -10.600 2.811 -2.180 156 2HG LYS 18 HG2 LYS 18 -10.166 2.593 -0.490 157 1HD LYS 18 HD1 LYS 18 -10.126 5.244 -1.979 158 2HD LYS 18 HD2 LYS 18 -8.706 4.273 -1.609 159 1HE LYS 18 HE1 LYS 18 -9.686 4.426 0.871 160 2HE LYS 18 HE2 LYS 18 -10.433 5.884 0.233 161 1HZ LYS 18 HZ1 LYS 18 -8.065 6.360 -0.636 162 2HZ LYS 18 HZ2 LYS 18 -7.584 5.251 0.556 163 3HZ LYS 18 HZ3 LYS 18 -8.433 6.655 0.996 164 H LYS 19 HN LYS 19 -14.751 3.939 -1.526 165 HA LYS 19 HA LYS 19 -16.057 4.263 1.001 166 1HB LYS 19 HB1 LYS 19 -17.983 5.007 -0.734 167 2HB LYS 19 HB2 LYS 19 -16.640 4.959 -1.872 168 1HG LYS 19 HG1 LYS 19 -15.345 6.478 -0.415 169 2HG LYS 19 HG2 LYS 19 -16.677 6.518 0.734 170 1HD LYS 19 HD1 LYS 19 -18.131 7.584 -0.874 171 2HD LYS 19 HD2 LYS 19 -16.968 7.335 -2.172 172 1HE LYS 19 HE1 LYS 19 -15.652 9.092 -1.504 173 2HE LYS 19 HE2 LYS 19 -15.948 8.796 0.204 174 1HZ LYS 19 HZ1 LYS 19 -17.694 10.166 0.229 175 2HZ LYS 19 HZ2 LYS 19 -18.251 9.681 -1.300 176 3HZ LYS 19 HZ3 LYS 19 -17.000 10.821 -1.176 177 H HIS 20 HN HIS 20 -16.578 2.180 -1.786 178 HA HIS 20 HA HIS 20 -19.104 1.129 -1.057 179 1HB HIS 20 HB1 HIS 20 -16.783 -0.283 -2.441 180 2HB HIS 20 HB2 HIS 20 -18.006 0.677 -3.265 181 HD1 HIS 20 HD1 HIS 20 -19.956 -0.726 -3.942 182 HD2 HIS 20 HD2 HIS 20 -17.869 -2.526 -0.948 183 HE1 HIS 20 HE1 HIS 20 -21.047 -2.890 -3.596 184 H ILE 21 HN ILE 21 -15.835 -0.113 -0.323 185 HA ILE 21 HA ILE 21 -16.784 -2.309 1.232 186 HB ILE 21 HB ILE 21 -14.322 -1.630 0.345 187 1HG1 ILE 21 HG11 ILE 21 -15.123 -3.296 2.736 188 2HG1 ILE 21 HG12 ILE 21 -13.442 -3.207 2.226 189 1HG2 ILE 21 HG21 ILE 21 -14.324 0.272 2.144 190 2HG2 ILE 21 HG22 ILE 21 -12.907 -0.752 2.090 191 3HG2 ILE 21 HG23 ILE 21 -14.128 -1.006 3.330 192 1HD1 ILE 21 HD1 ILE 21 -15.269 -4.984 1.206 193 2HD1 ILE 21 HD2 ILE 21 -13.818 -4.466 0.358 194 3HD1 ILE 21 HD3 ILE 21 -15.358 -3.688 0.021 195 NH1 ARG 22 NH1 ARG 22 -14.793 6.608 5.567 196 NH2 ARG 22 NH2 ARG 22 -12.588 6.292 6.075 197 H ARG 22 HN ARG 22 -16.325 1.055 1.992 198 HA ARG 22 HA ARG 22 -16.538 0.651 4.880 199 1HB ARG 22 HB1 ARG 22 -17.082 3.224 4.706 200 2HB ARG 22 HB2 ARG 22 -16.692 3.041 2.999 201 1HG ARG 22 HG1 ARG 22 -14.485 2.057 3.653 202 2HG ARG 22 HG2 ARG 22 -14.876 2.375 5.339 203 1HD ARG 22 HD1 ARG 22 -15.382 4.796 3.971 204 2HD ARG 22 HD2 ARG 22 -13.844 4.205 3.344 205 HE ARG 22 HE ARG 22 -13.518 3.893 6.044 206 1HH1 ARG 22 HH11 ARG 22 -15.667 6.222 5.271 207 2HH1 ARG 22 HH12 ARG 22 -14.719 7.585 5.768 208 1HH2 ARG 22 HH21 ARG 22 -11.809 5.671 6.159 209 2HH2 ARG 22 HH22 ARG 22 -12.477 7.264 6.285 210 H THR 23 HN THR 23 -18.759 0.735 2.275 211 HA THR 23 HA THR 23 -20.993 1.676 3.896 212 HB THR 23 HB THR 23 -21.319 0.054 1.326 213 HG1 THR 23 HG1 THR 23 -20.366 2.707 1.744 214 1HG2 THR 23 HG21 THR 23 -22.497 2.772 1.863 215 2HG2 THR 23 HG22 THR 23 -23.120 1.474 2.878 216 3HG2 THR 23 HG23 THR 23 -23.274 1.374 1.126 217 H HIS 24 HN HIS 24 -19.277 -1.179 3.855 218 HA HIS 24 HA HIS 24 -21.632 -2.890 4.443 219 1HB HIS 24 HB1 HIS 24 -19.628 -4.596 4.847 220 2HB HIS 24 HB2 HIS 24 -18.656 -3.368 4.044 221 HD1 HIS 24 HD1 HIS 24 -21.906 -5.120 3.262 222 HD2 HIS 24 HD2 HIS 24 -18.585 -3.724 1.352 223 HE1 HIS 24 HE1 HIS 24 -22.207 -5.697 0.871 224 H THR 25 HN THR 25 -19.951 -0.679 6.126 225 HA THR 25 HA THR 25 -19.551 -2.277 8.578 226 HB THR 25 HB THR 25 -19.049 0.228 9.417 227 HG1 THR 25 HG1 THR 25 -18.382 1.220 7.253 228 1HG2 THR 25 HG21 THR 25 -17.079 -1.135 9.026 229 2HG2 THR 25 HG22 THR 25 -16.880 0.214 7.913 230 3HG2 THR 25 HG23 THR 25 -17.478 -1.332 7.322 231 H ASP 26 HN ASP 26 -20.746 0.919 8.852 232 HA ASP 26 HA ASP 26 -23.515 0.128 9.325 233 1HB ASP 26 HB1 ASP 26 -23.338 1.087 11.749 234 2HB ASP 26 HB2 ASP 26 -21.599 0.864 11.581 235 H VAL 27 HN VAL 27 -21.937 1.923 7.721 236 HA VAL 27 HA VAL 27 -22.681 4.590 8.757 237 HB VAL 27 HB VAL 27 -20.444 4.330 7.817 238 1HG1 VAL 27 HG11 VAL 27 -21.904 3.185 5.433 239 2HG1 VAL 27 HG12 VAL 27 -20.743 2.368 6.473 240 3HG1 VAL 27 HG13 VAL 27 -20.207 3.648 5.393 241 1HG2 VAL 27 HG21 VAL 27 -20.479 6.292 6.665 242 2HG2 VAL 27 HG22 VAL 27 -22.213 6.272 6.971 243 3HG2 VAL 27 HG23 VAL 27 -21.580 5.656 5.447 244 NH1 ARG 28 NH1 ARG 28 -24.854 -2.280 6.638 245 NH2 ARG 28 NH2 ARG 28 -25.461 -1.110 8.505 246 H ARG 28 HN ARG 28 -24.878 3.095 8.219 247 HA ARG 28 HA ARG 28 -25.982 4.284 5.699 248 1HB ARG 28 HB1 ARG 28 -27.637 2.293 5.934 249 2HB ARG 28 HB2 ARG 28 -26.518 1.650 7.131 250 1HG ARG 28 HG1 ARG 28 -24.762 2.199 5.158 251 2HG ARG 28 HG2 ARG 28 -26.192 1.904 4.181 252 1HD ARG 28 HD1 ARG 28 -24.968 -0.202 4.528 253 2HD ARG 28 HD2 ARG 28 -26.523 -0.269 5.356 254 HE ARG 28 HE ARG 28 -24.252 0.644 6.998 255 1HH1 ARG 28 HH11 ARG 28 -24.546 -2.274 5.686 256 2HH1 ARG 28 HH12 ARG 28 -25.005 -3.149 7.109 257 1HH2 ARG 28 HH21 ARG 28 -25.608 -0.229 8.953 258 2HH2 ARG 28 HH22 ARG 28 -25.622 -1.960 9.007 259 HA PRO 29 HA PRO 29 -28.136 6.113 9.412 260 1HB PRO 29 HB1 PRO 29 -27.715 8.352 9.171 261 2HB PRO 29 HB2 PRO 29 -28.694 8.417 7.705 262 1HG PRO 29 HG1 PRO 29 -25.779 8.368 7.938 263 2HG PRO 29 HG2 PRO 29 -26.757 8.623 6.492 264 1HD PRO 29 HD1 PRO 29 -26.397 6.487 5.803 265 2HD PRO 29 HD2 PRO 29 -25.263 6.284 7.149 266 OH TYR 30 OH TYR 30 -29.963 10.500 2.895 267 H TYR 30 HN TYR 30 -29.091 5.247 6.263 268 HA TYR 30 HA TYR 30 -31.898 6.081 6.704 269 1HB TYR 30 HB1 TYR 30 -32.233 5.009 4.424 270 2HB TYR 30 HB2 TYR 30 -30.530 4.580 4.419 271 HD1 TYR 30 HD1 TYR 30 -32.760 7.548 4.881 272 HD2 TYR 30 HD2 TYR 30 -28.981 6.129 3.537 273 HE1 TYR 30 HE1 TYR 30 -32.204 9.792 4.070 274 HE2 TYR 30 HE2 TYR 30 -28.420 8.379 2.743 275 HH TYR 30 HH TYR 30 -29.012 10.544 2.771 276 H HIS 31 HN HIS 31 -31.824 4.636 8.697 277 HA HIS 31 HA HIS 31 -32.071 1.750 8.152 278 1HB HIS 31 HB1 HIS 31 -32.470 1.637 10.642 279 2HB HIS 31 HB2 HIS 31 -32.445 3.396 10.702 280 HD1 HIS 31 HD1 HIS 31 -30.226 0.584 10.670 281 HD2 HIS 31 HD2 HIS 31 -29.874 4.563 9.967 282 HE1 HIS 31 HE1 HIS 31 -27.843 1.027 10.777 283 H CYS 32 HN CYS 32 -33.957 0.678 7.838 284 HA CYS 32 HA CYS 32 -36.396 2.078 7.440 285 1HB CYS 32 HB1 CYS 32 -35.681 -0.828 7.922 286 2HB CYS 32 HB2 CYS 32 -36.266 -0.084 6.455 287 H THR 33 HN THR 33 -38.054 2.603 8.779 288 HA THR 33 HA THR 33 -37.600 2.792 11.582 289 HB THR 33 HB THR 33 -40.290 2.784 10.079 290 HG1 THR 33 HG1 THR 33 -38.197 4.265 9.794 291 1HG2 THR 33 HG21 THR 33 -39.323 3.982 12.740 292 2HG2 THR 33 HG22 THR 33 -40.610 2.794 12.554 293 3HG2 THR 33 HG23 THR 33 -40.838 4.439 11.968 294 OH TYR 34 OH TYR 34 -44.496 2.171 9.333 295 H TYR 34 HN TYR 34 -38.859 0.229 9.642 296 HA TYR 34 HA TYR 34 -39.830 -1.212 12.051 297 1HB TYR 34 HB1 TYR 34 -40.949 -2.705 10.468 298 2HB TYR 34 HB2 TYR 34 -40.038 -2.037 9.118 299 HD1 TYR 34 HD2 TYR 34 -40.340 0.517 8.661 300 HD2 TYR 34 HD1 TYR 34 -43.033 -1.757 11.043 301 HE1 TYR 34 HE2 TYR 34 -42.062 2.229 8.346 302 HE2 TYR 34 HE1 TYR 34 -44.759 -0.043 10.718 303 HH TYR 34 HH TYR 34 -44.361 2.856 9.994 304 H CYS 35 HN CYS 35 -38.292 -2.459 9.095 305 HA CYS 35 HA CYS 35 -36.973 -4.592 10.467 306 1HB CYS 35 HB1 CYS 35 -35.859 -5.011 8.402 307 2HB CYS 35 HB2 CYS 35 -35.903 -3.337 7.936 308 H ASN 36 HN ASN 36 -34.440 -4.715 9.769 309 HA ASN 36 HA ASN 36 -33.163 -2.447 11.244 310 1HB ASN 36 HB1 ASN 36 -32.424 -5.408 11.007 311 2HB ASN 36 HB2 ASN 36 -32.950 -4.571 12.465 312 1HD2 ASN 36 HD21 ASN 36 -31.336 -2.148 11.932 313 2HD2 ASN 36 HD22 ASN 36 -29.718 -2.581 12.208 314 H PHE 37 HN PHE 37 -33.601 -3.685 8.247 315 HA PHE 37 HA PHE 37 -30.887 -3.515 7.219 316 1HB PHE 37 HB1 PHE 37 -33.326 -3.192 5.467 317 2HB PHE 37 HB2 PHE 37 -33.100 -4.735 6.291 318 HD1 PHE 37 HD2 PHE 37 -30.593 -5.682 6.141 319 HD2 PHE 37 HD1 PHE 37 -32.311 -2.935 3.380 320 HE1 PHE 37 HE2 PHE 37 -28.935 -6.338 4.452 321 HE2 PHE 37 HE1 PHE 37 -30.651 -3.594 1.694 322 HZ PHE 37 HZ PHE 37 -28.963 -5.295 2.229 323 H SER 38 HN SER 38 -29.844 -1.752 6.551 324 HA SER 38 HA SER 38 -31.449 0.739 6.171 325 1HB SER 38 HB1 SER 38 -28.587 0.584 7.220 326 2HB SER 38 HB2 SER 38 -30.000 0.669 8.282 327 HG SER 38 HG1 SER 38 -29.483 2.458 6.142 328 H PHE 39 HN PHE 39 -30.211 2.410 4.947 329 HA PHE 39 HA PHE 39 -28.568 1.155 2.799 330 1HB PHE 39 HB1 PHE 39 -29.890 2.305 1.133 331 2HB PHE 39 HB2 PHE 39 -30.678 3.304 2.355 332 HD1 PHE 39 HD2 PHE 39 -32.385 2.327 3.858 333 HD2 PHE 39 HD1 PHE 39 -30.585 -0.016 0.789 334 HE1 PHE 39 HE2 PHE 39 -34.113 0.607 4.152 335 HE2 PHE 39 HE1 PHE 39 -32.335 -1.717 1.069 336 HZ PHE 39 HZ PHE 39 -34.099 -1.405 2.752 337 H LYS 40 HN LYS 40 -27.348 2.756 1.557 338 HA LYS 40 HA LYS 40 -26.251 4.791 3.387 339 1HB LYS 40 HB1 LYS 40 -25.413 3.733 0.654 340 2HB LYS 40 HB2 LYS 40 -24.711 3.296 2.192 341 1HG LYS 40 HG1 LYS 40 -24.589 6.028 0.867 342 2HG LYS 40 HG2 LYS 40 -23.251 4.915 1.098 343 1HD LYS 40 HD1 LYS 40 -23.899 5.061 3.628 344 2HD LYS 40 HD2 LYS 40 -24.708 6.547 3.159 345 1HE LYS 40 HE1 LYS 40 -21.778 5.871 3.035 346 2HE LYS 40 HE2 LYS 40 -22.551 7.303 3.700 347 1HZ LYS 40 HZ1 LYS 40 -22.740 6.707 0.823 348 2HZ LYS 40 HZ2 LYS 40 -21.360 7.469 1.456 349 3HZ LYS 40 HZ3 LYS 40 -22.884 8.200 1.620 350 H THR 41 HN THR 41 -28.459 4.587 0.831 351 HA THR 41 HA THR 41 -28.389 7.556 0.554 352 HB THR 41 HB THR 41 -28.582 7.387 -1.859 353 HG1 THR 41 HG1 THR 41 -29.296 5.499 -2.747 354 1HG2 THR 41 HG21 THR 41 -26.293 6.504 -0.919 355 2HG2 THR 41 HG22 THR 41 -26.713 5.938 -2.533 356 3HG2 THR 41 HG23 THR 41 -26.953 4.886 -1.141 357 H LYS 42 HN LYS 42 -30.376 8.501 -0.091 358 HA LYS 42 HA LYS 42 -32.630 7.295 1.203 359 1HB LYS 42 HB1 LYS 42 -32.749 9.600 -0.774 360 2HB LYS 42 HB2 LYS 42 -32.093 9.821 0.845 361 1HG LYS 42 HG1 LYS 42 -34.150 9.718 1.817 362 2HG LYS 42 HG2 LYS 42 -34.671 8.391 0.786 363 1HD LYS 42 HD1 LYS 42 -35.231 9.878 -1.006 364 2HD LYS 42 HD2 LYS 42 -34.395 11.226 -0.242 365 1HE LYS 42 HE1 LYS 42 -36.882 9.841 0.816 366 2HE LYS 42 HE2 LYS 42 -36.824 11.441 0.087 367 1HZ LYS 42 HZ1 LYS 42 -35.046 11.814 1.952 368 2HZ LYS 42 HZ2 LYS 42 -35.898 10.559 2.714 369 3HZ LYS 42 HZ3 LYS 42 -36.705 11.985 2.269 370 H GLY 43 HN GLY 43 -31.307 6.984 -1.894 371 1HA GLY 43 HA1 GLY 43 -32.085 5.901 -3.829 372 2HA GLY 43 HA2 GLY 43 -33.662 6.598 -3.468 373 H ASN 44 HN ASN 44 -31.502 3.926 -2.625 374 HA ASN 44 HA ASN 44 -33.292 1.850 -2.924 375 1HB ASN 44 HB1 ASN 44 -31.918 0.776 -0.949 376 2HB ASN 44 HB2 ASN 44 -31.001 2.280 -0.976 377 1HD2 ASN 44 HD21 ASN 44 -29.075 1.211 -1.800 378 2HD2 ASN 44 HD22 ASN 44 -28.987 0.649 -3.399 379 H LEU 45 HN LEU 45 -32.885 3.880 -0.056 380 HA LEU 45 HA LEU 45 -34.585 2.504 1.705 381 1HB LEU 45 HB1 LEU 45 -34.147 5.514 1.320 382 2HB LEU 45 HB2 LEU 45 -33.241 4.464 2.387 383 HG LEU 45 HG LEU 45 -34.768 5.587 3.824 384 1HD1 LEU 45 HD11 LEU 45 -36.823 6.375 3.242 385 2HD1 LEU 45 HD12 LEU 45 -37.314 4.861 2.503 386 3HD1 LEU 45 HD13 LEU 45 -36.343 6.005 1.595 387 1HD2 LEU 45 HD21 LEU 45 -36.237 3.002 3.226 388 2HD2 LEU 45 HD22 LEU 45 -36.055 3.815 4.773 389 3HD2 LEU 45 HD23 LEU 45 -34.668 3.041 4.018 390 H THR 46 HN THR 46 -35.427 5.065 -0.614 391 HA THR 46 HA THR 46 -38.211 5.109 -0.078 392 HB THR 46 HB THR 46 -36.860 5.543 -2.809 393 HG1 THR 46 HG1 THR 46 -36.169 7.367 -1.945 394 1HG2 THR 46 HG21 THR 46 -39.197 7.014 -1.482 395 2HG2 THR 46 HG22 THR 46 -39.475 5.638 -2.545 396 3HG2 THR 46 HG23 THR 46 -38.712 7.096 -3.172 397 H LYS 47 HN LYS 47 -36.289 2.987 -2.122 398 HA LYS 47 HA LYS 47 -38.565 1.753 -3.408 399 1HB LYS 47 HB1 LYS 47 -36.850 -0.049 -3.969 400 2HB LYS 47 HB2 LYS 47 -35.687 0.822 -2.976 401 1HG LYS 47 HG1 LYS 47 -35.995 2.837 -4.390 402 2HG LYS 47 HG2 LYS 47 -37.141 1.960 -5.393 403 1HD LYS 47 HD1 LYS 47 -34.224 1.204 -4.973 404 2HD LYS 47 HD2 LYS 47 -34.874 1.977 -6.412 405 1HE LYS 47 HE1 LYS 47 -35.222 -0.845 -5.452 406 2HE LYS 47 HE2 LYS 47 -34.916 -0.253 -7.079 407 1HZ LYS 47 HZ1 LYS 47 -37.447 -0.454 -5.624 408 2HZ LYS 47 HZ2 LYS 47 -37.091 -0.835 -7.239 409 3HZ LYS 47 HZ3 LYS 47 -37.271 0.788 -6.769 410 H HIS 48 HN HIS 48 -36.972 1.294 -0.357 411 HA HIS 48 HA HIS 48 -38.169 -1.357 0.057 412 1HB HIS 48 HB1 HIS 48 -36.702 0.547 1.956 413 2HB HIS 48 HB2 HIS 48 -35.993 -0.832 1.122 414 HD1 HIS 48 HD1 HIS 48 -37.235 -3.151 1.824 415 HD2 HIS 48 HD2 HIS 48 -37.747 -0.059 4.450 416 HE1 HIS 48 HE1 HIS 48 -37.987 -4.188 3.908 417 H MET 49 HN MET 49 -38.987 1.940 0.624 418 HA MET 49 HA MET 49 -41.103 1.194 2.561 419 1HB MET 49 HB1 MET 49 -41.481 3.739 2.534 420 2HB MET 49 HB2 MET 49 -40.098 3.855 1.451 421 1HG MET 49 HG1 MET 49 -39.426 4.219 3.780 422 2HG MET 49 HG2 MET 49 -38.663 2.805 3.105 423 1HE MET 49 HE1 MET 49 -38.005 2.812 5.794 424 2HE MET 49 HE2 MET 49 -39.207 2.551 7.056 425 3HE MET 49 HE3 MET 49 -39.211 4.053 6.131 426 H LYS 50 HN LYS 50 -40.674 2.133 -0.762 427 HA LYS 50 HA LYS 50 -43.378 2.893 -1.319 428 1HB LYS 50 HB1 LYS 50 -41.464 1.503 -3.245 429 2HB LYS 50 HB2 LYS 50 -41.285 3.198 -2.804 430 1HG LYS 50 HG1 LYS 50 -43.143 3.842 -3.997 431 2HG LYS 50 HG2 LYS 50 -44.007 2.347 -3.659 432 1HD LYS 50 HD1 LYS 50 -43.381 2.502 -6.055 433 2HD LYS 50 HD2 LYS 50 -42.580 1.144 -5.275 434 1HE LYS 50 HE1 LYS 50 -40.497 2.207 -5.264 435 2HE LYS 50 HE2 LYS 50 -41.205 3.816 -5.337 436 1HZ LYS 50 HZ1 LYS 50 -40.901 3.772 -7.506 437 2HZ LYS 50 HZ2 LYS 50 -41.998 2.482 -7.632 438 3HZ LYS 50 HZ3 LYS 50 -40.339 2.172 -7.448 439 H SER 51 HN SER 51 -41.692 -0.204 -1.833 440 HA SER 51 HA SER 51 -43.745 -1.731 -2.884 441 1HB SER 51 HB1 SER 51 -41.826 -2.589 -0.647 442 2HB SER 51 HB2 SER 51 -41.463 -2.639 -2.383 443 HG SER 51 HG1 SER 51 -43.522 -4.001 -0.987 444 H LYS 52 HN LYS 52 -45.070 -3.421 -1.732 445 HA LYS 52 HA LYS 52 -46.811 -2.066 0.155 446 1HB LYS 52 HB1 LYS 52 -48.041 -4.267 0.127 447 2HB LYS 52 HB2 LYS 52 -46.719 -4.973 -0.796 448 1HG LYS 52 HG1 LYS 52 -47.625 -2.480 -2.000 449 2HG LYS 52 HG2 LYS 52 -48.950 -3.628 -1.844 450 1HD LYS 52 HD1 LYS 52 -47.722 -5.324 -3.047 451 2HD LYS 52 HD2 LYS 52 -46.249 -4.361 -3.011 452 1HE LYS 52 HE1 LYS 52 -48.769 -3.300 -4.292 453 2HE LYS 52 HE2 LYS 52 -47.662 -4.327 -5.191 454 1HZ LYS 52 HZ1 LYS 52 -47.365 -1.583 -4.355 455 2HZ LYS 52 HZ2 LYS 52 -46.654 -2.410 -5.657 456 3HZ LYS 52 HZ3 LYS 52 -45.988 -2.545 -4.100 457 H ALA 53 HN ALA 53 -43.936 -2.839 0.864 458 HA ALA 53 HA ALA 53 -43.902 -4.858 2.832 459 1HB ALA 53 HB1 ALA 53 -41.843 -3.724 2.077 460 2HB ALA 53 HB2 ALA 53 -41.989 -3.508 3.818 461 3HB ALA 53 HB3 ALA 53 -42.410 -2.190 2.729 462 H HIS 54 HN HIS 54 -43.181 -1.920 4.375 463 HA HIS 54 HA HIS 54 -45.809 -1.800 5.727 464 1HB HIS 54 HB1 HIS 54 -44.815 -3.234 7.283 465 2HB HIS 54 HB2 HIS 54 -44.268 -1.693 7.929 466 HD1 HIS 54 HD1 HIS 54 -42.969 -4.780 6.723 467 HD2 HIS 54 HD2 HIS 54 -41.533 -0.954 6.893 468 HE1 HIS 54 HE1 HIS 54 -40.535 -4.981 6.508 469 H SER 55 HN SER 55 -45.907 0.248 4.671 470 HA SER 55 HA SER 55 -45.034 2.412 6.330 471 1HB SER 55 HB1 SER 55 -42.819 2.216 5.419 472 2HB SER 55 HB2 SER 55 -43.557 3.407 4.330 473 HG SER 55 HG1 SER 55 -44.233 0.881 3.645 474 H LYS 56 HN LYS 56 -47.373 2.568 5.939 475 HA LYS 56 HA LYS 56 -48.313 3.298 3.286 476 1HB LYS 56 HB1 LYS 56 -50.435 3.847 4.543 477 2HB LYS 56 HB2 LYS 56 -49.578 3.584 6.058 478 1HG LYS 56 HG1 LYS 56 -49.001 1.253 5.165 479 2HG LYS 56 HG2 LYS 56 -50.178 1.554 3.891 480 1HD LYS 56 HD1 LYS 56 -51.935 1.925 5.573 481 2HD LYS 56 HD2 LYS 56 -50.765 1.701 6.868 482 1HE LYS 56 HE1 LYS 56 -50.302 -0.606 5.919 483 2HE LYS 56 HE2 LYS 56 -51.668 -0.362 4.836 484 1HZ LYS 56 HZ1 LYS 56 -51.632 -0.935 7.662 485 2HZ LYS 56 HZ2 LYS 56 -52.825 -1.261 6.498 486 3HZ LYS 56 HZ3 LYS 56 -52.730 0.278 7.209 487 H LYS 57 HN LYS 57 -49.556 5.350 5.672 488 HA LYS 57 HA LYS 57 -48.861 7.701 4.246 489 1HB LYS 57 HB1 LYS 57 -49.675 8.869 6.358 490 2HB LYS 57 HB2 LYS 57 -49.735 7.298 7.143 491 1HG LYS 57 HG1 LYS 57 -51.962 7.708 6.353 492 2HG LYS 57 HG2 LYS 57 -51.266 6.529 5.251 493 1HD LYS 57 HD1 LYS 57 -50.643 9.192 4.304 494 2HD LYS 57 HD2 LYS 57 -52.370 9.065 4.594 495 1HE LYS 57 HE1 LYS 57 -50.733 7.086 2.976 496 2HE LYS 57 HE2 LYS 57 -51.752 8.346 2.291 497 1HZ LYS 57 HZ1 LYS 57 -53.221 6.861 4.179 498 2HZ LYS 57 HZ2 LYS 57 -52.504 5.798 3.064 499 3HZ LYS 57 LYS 57 -53.507 7.055 2.516 Start of MODEL 42 Raw file had 499 H/Q atoms Start of MODEL 42 1 1H LYS 1 HT1 LYS 1 -7.917 -6.587 -9.417 2 2H LYS 1 HT2 LYS 1 -8.392 -6.193 -7.836 3 3H LYS 1 HT3 LYS 1 -8.588 -5.062 -9.087 4 HA LYS 1 HA LYS 1 -10.198 -6.472 -10.173 5 1HB LYS 1 HB1 LYS 1 -10.307 -8.683 -9.598 6 2HB LYS 1 HB2 LYS 1 -10.772 -8.241 -7.959 7 1HG LYS 1 HG1 LYS 1 -8.388 -7.959 -7.356 8 2HG LYS 1 HG2 LYS 1 -7.921 -8.393 -8.996 9 1HD LYS 1 HD1 LYS 1 -8.907 -10.615 -8.732 10 2HD LYS 1 HD2 LYS 1 -9.519 -10.187 -7.139 11 1HE LYS 1 HE1 LYS 1 -7.223 -9.881 -6.314 12 2HE LYS 1 HE2 LYS 1 -6.584 -10.230 -7.915 13 1HZ LYS 1 HZ1 LYS 1 -8.234 -12.126 -6.346 14 2HZ LYS 1 HZ2 LYS 1 -6.536 -12.133 -6.362 15 3HZ LYS 1 HZ3 LYS 1 -7.400 -12.443 -7.791 16 OH TYR 2 OH TYR 2 -8.518 0.015 -9.645 17 H TYR 2 HN TYR 2 -11.827 -5.110 -9.943 18 HA TYR 2 HA TYR 2 -12.533 -4.122 -7.245 19 1HB TYR 2 HB1 TYR 2 -13.980 -2.535 -8.511 20 2HB TYR 2 HB2 TYR 2 -13.610 -3.385 -10.008 21 HD1 TYR 2 HD2 TYR 2 -12.054 -1.456 -7.230 22 HD2 TYR 2 HD1 TYR 2 -11.602 -2.913 -11.199 23 HE1 TYR 2 HE2 TYR 2 -10.025 -0.105 -7.494 24 HE2 TYR 2 HE1 TYR 2 -9.572 -1.565 -11.463 25 HH TYR 2 HH TYR 2 -8.713 0.905 -9.344 26 H ILE 3 HN ILE 3 -13.107 -6.818 -7.671 27 HA ILE 3 HA ILE 3 -16.062 -6.876 -8.054 28 HB ILE 3 HB ILE 3 -13.847 -8.961 -8.113 29 1HG1 ILE 3 HG11 ILE 3 -16.133 -8.281 -10.002 30 2HG1 ILE 3 HG12 ILE 3 -14.899 -9.502 -10.288 31 1HG2 ILE 3 HG21 ILE 3 -15.463 -10.154 -6.838 32 2HG2 ILE 3 HG22 ILE 3 -15.960 -10.544 -8.481 33 3HG2 ILE 3 HG23 ILE 3 -16.813 -9.302 -7.576 34 1HD1 ILE 3 HD1 ILE 3 -14.640 -6.513 -10.289 35 2HD1 ILE 3 HD2 ILE 3 -13.970 -7.689 -11.414 36 3HD1 ILE 3 HD3 ILE 3 -13.244 -7.480 -9.824 37 H CYS 4 HN CYS 4 -17.006 -6.346 -6.115 38 HA CYS 4 HA CYS 4 -15.919 -6.766 -3.572 39 1HB CYS 4 HB1 CYS 4 -18.770 -6.690 -4.549 40 2HB CYS 4 HB2 CYS 4 -17.899 -5.456 -3.687 41 H GLU 5 HN GLU 5 -15.344 -8.518 -2.573 42 HA GLU 5 HA GLU 5 -15.844 -11.144 -3.509 43 1HB GLU 5 HB1 GLU 5 -14.867 -11.840 -1.309 44 2HB GLU 5 HB2 GLU 5 -15.029 -10.187 -0.728 45 1HG GLU 5 HG1 GLU 5 -13.682 -10.198 -3.290 46 2HG GLU 5 HG2 GLU 5 -12.853 -11.279 -2.172 47 H GLU 6 HN GLU 6 -17.805 -9.088 -1.578 48 HA GLU 6 HA GLU 6 -19.284 -11.336 -0.433 49 1HB GLU 6 HB1 GLU 6 -20.084 -8.416 -0.267 50 2HB GLU 6 HB2 GLU 6 -18.772 -9.044 0.721 51 1HG GLU 6 HG1 GLU 6 -21.466 -10.411 0.645 52 2HG GLU 6 HG2 GLU 6 -21.151 -9.075 1.749 53 H CYS 7 HN CYS 7 -20.412 -8.407 -2.102 54 HA CYS 7 HA CYS 7 -22.775 -9.807 -3.050 55 1HB CYS 7 HB1 CYS 7 -23.425 -7.722 -3.963 56 2HB CYS 7 HB2 CYS 7 -21.783 -7.191 -4.168 57 H GLY 8 HN GLY 8 -19.877 -8.457 -4.598 58 1HA GLY 8 HA1 GLY 8 -20.364 -10.308 -6.894 59 2HA GLY 8 HA2 GLY 8 -18.783 -9.717 -6.408 60 H ILE 9 HN ILE 9 -20.322 -7.021 -5.978 61 HA ILE 9 HA ILE 9 -21.206 -6.112 -8.495 62 HB ILE 9 HB ILE 9 -21.313 -4.964 -6.138 63 1HG1 ILE 9 HG11 ILE 9 -21.014 -3.727 -8.834 64 2HG1 ILE 9 HG12 ILE 9 -20.999 -2.636 -7.453 65 1HG2 ILE 9 HG21 ILE 9 -19.515 -3.437 -5.613 66 2HG2 ILE 9 HG22 ILE 9 -18.785 -3.609 -7.200 67 3HG2 ILE 9 HG23 ILE 9 -18.702 -4.928 -6.040 68 1HD1 ILE 9 HD1 ILE 9 -23.131 -3.549 -6.663 69 2HD1 ILE 9 HD2 ILE 9 -23.129 -4.742 -7.957 70 3HD1 ILE 9 HD3 ILE 9 -23.308 -3.032 -8.337 71 NH1 ARG 10 NH2 ARG 10 -19.221 -7.330 -16.142 72 NH2 ARG 10 NH1 ARG 10 -17.614 -8.952 -16.201 73 H ARG 10 HN ARG 10 -20.179 -5.728 -10.338 74 HA ARG 10 HA ARG 10 -17.205 -5.720 -10.307 75 1HB ARG 10 HB1 ARG 10 -19.172 -5.946 -12.636 76 2HB ARG 10 HB2 ARG 10 -18.452 -7.320 -11.807 77 1HG ARG 10 HG1 ARG 10 -16.195 -5.962 -12.387 78 2HG ARG 10 HG2 ARG 10 -17.205 -5.379 -13.704 79 1HD ARG 10 HD1 ARG 10 -16.460 -8.241 -13.057 80 2HD ARG 10 HD2 ARG 10 -16.172 -7.356 -14.554 81 HE ARG 10 HE ARG 10 -18.902 -8.183 -13.645 82 1HH1 ARG 10 HH21 ARG 10 -19.759 -6.675 -15.611 83 2HH1 ARG 10 HH22 ARG 10 -19.362 -7.406 -17.130 84 1HH2 ARG 10 HH11 ARG 10 -16.945 -9.513 -15.712 85 2HH2 ARG 10 HH12 ARG 10 -17.726 -9.056 -17.189 86 H ABA 11 HN ABU 11 -16.650 -3.629 -9.825 87 HA ABA 11 HA ABU 11 -17.650 -1.523 -11.719 88 1HB ABA 11 HB1 ABU 11 -17.184 0.101 -9.926 89 2HB ABA 11 HB2 ABU 11 -16.499 -1.154 -8.917 90 1HG ABA 11 HG1 ABU 11 -18.573 -1.432 -8.044 91 2HG ABA 11 HG2 ABU 11 -19.038 -2.129 -9.591 92 3HG ABA 11 HG3 ABU 11 -19.296 -0.416 -9.287 93 H LYS 12 HN LYS 12 -16.087 -1.655 -13.269 94 HA LYS 12 HA LYS 12 -13.334 -2.069 -12.858 95 1HB LYS 12 HB1 LYS 12 -13.070 -1.209 -15.140 96 2HB LYS 12 HB2 LYS 12 -14.610 -0.363 -15.040 97 1HG LYS 12 HG1 LYS 12 -15.837 -2.432 -14.960 98 2HG LYS 12 HG2 LYS 12 -14.365 -3.368 -14.727 99 1HD LYS 12 HD1 LYS 12 -13.655 -3.037 -16.951 100 2HD LYS 12 HD2 LYS 12 -14.699 -1.639 -17.175 101 1HE LYS 12 HE1 LYS 12 -15.395 -3.959 -18.213 102 2HE LYS 12 HE2 LYS 12 -16.616 -2.945 -17.454 103 1HZ LYS 12 HZ1 LYS 12 -16.135 -4.219 -15.361 104 2HZ LYS 12 HZ2 LYS 12 -15.256 -5.312 -16.319 105 3HZ LYS 12 HZ3 LYS 12 -16.917 -5.086 -16.595 106 H LYS 13 HN LYS 13 -15.017 0.440 -11.595 107 HA LYS 13 HA LYS 13 -12.693 2.292 -11.840 108 1HB LYS 13 HB1 LYS 13 -14.474 4.066 -11.202 109 2HB LYS 13 HB2 LYS 13 -15.665 2.806 -11.505 110 1HG LYS 13 HG1 LYS 13 -14.876 2.552 -13.802 111 2HG LYS 13 HG2 LYS 13 -13.568 3.693 -13.514 112 1HD LYS 13 HD1 LYS 13 -15.003 5.532 -13.452 113 2HD LYS 13 HD2 LYS 13 -16.391 4.561 -12.972 114 1HE LYS 13 HE1 LYS 13 -15.134 4.026 -15.641 115 2HE LYS 13 HE2 LYS 13 -16.149 5.452 -15.470 116 1HZ LYS 13 HZ1 LYS 13 -17.027 2.949 -15.979 117 2HZ LYS 13 HZ2 LYS 13 -17.980 4.223 -15.384 118 3HZ LYS 13 HZ3 LYS 13 -17.302 3.096 -14.309 119 HA PRO 14 HA PRO 14 -12.152 1.735 -7.440 120 1HB PRO 14 HB1 PRO 14 -10.172 2.897 -7.218 121 2HB PRO 14 HB2 PRO 14 -11.110 4.366 -6.948 122 1HG PRO 14 HG1 PRO 14 -9.465 3.815 -9.201 123 2HG PRO 14 HG2 PRO 14 -10.607 5.152 -9.049 124 1HD PRO 14 HD1 PRO 14 -11.855 4.167 -10.702 125 2HD PRO 14 HD2 PRO 14 -10.833 2.717 -10.651 126 H SER 15 HN SER 15 -12.798 5.209 -7.908 127 HA SER 15 HA SER 15 -14.213 5.860 -5.685 128 1HB SER 15 HB1 SER 15 -13.880 7.336 -7.757 129 2HB SER 15 HB2 SER 15 -15.514 7.466 -7.076 130 HG SER 15 HG1 SER 15 -15.056 5.371 -8.835 131 H MET 16 HN MET 16 -15.581 4.027 -8.397 132 HA MET 16 HA MET 16 -18.222 3.881 -7.247 133 1HB MET 16 HB1 MET 16 -18.335 1.823 -8.872 134 2HB MET 16 HB2 MET 16 -16.720 2.315 -9.375 135 1HG MET 16 HG1 MET 16 -17.848 3.624 -10.836 136 2HG MET 16 HG2 MET 16 -17.949 4.699 -9.467 137 1HE MET 16 HE1 MET 16 -21.079 1.797 -10.913 138 2HE MET 16 HE2 MET 16 -19.326 1.773 -11.108 139 3HE MET 16 HE3 MET 16 -20.319 2.775 -12.168 140 H LEU 17 HN LEU 17 -15.570 1.480 -7.436 141 HA LEU 17 HA LEU 17 -16.907 -0.390 -5.716 142 1HB LEU 17 HB1 LEU 17 -13.887 -0.145 -5.993 143 2HB LEU 17 HB2 LEU 17 -14.849 -0.726 -7.333 144 HG LEU 17 HG LEU 17 -13.890 -2.575 -5.908 145 1HD1 LEU 17 HD11 LEU 17 -14.632 -2.957 -3.686 146 2HD1 LEU 17 HD12 LEU 17 -15.892 -1.740 -3.802 147 3HD1 LEU 17 HD13 LEU 17 -14.203 -1.253 -3.746 148 1HD2 LEU 17 HD21 LEU 17 -16.894 -2.685 -5.617 149 2HD2 LEU 17 HD22 LEU 17 -15.773 -3.961 -6.066 150 3HD2 LEU 17 HD23 LEU 17 -16.158 -2.686 -7.210 151 H LYS 18 HN LYS 18 -14.109 1.705 -5.146 152 HA LYS 18 HA LYS 18 -13.568 1.474 -2.521 153 1HB LYS 18 HB1 LYS 18 -14.019 4.042 -4.104 154 2HB LYS 18 HB2 LYS 18 -12.490 3.222 -3.816 155 1HG LYS 18 HG1 LYS 18 -13.257 3.634 -1.255 156 2HG LYS 18 HG2 LYS 18 -14.058 5.003 -2.016 157 1HD LYS 18 HD1 LYS 18 -11.909 5.684 -3.047 158 2HD LYS 18 HD2 LYS 18 -11.109 4.314 -2.287 159 1HE LYS 18 HE1 LYS 18 -12.674 6.134 -0.509 160 2HE LYS 18 HE2 LYS 18 -11.150 6.742 -1.141 161 1HZ LYS 18 HZ1 LYS 18 -11.603 4.328 0.504 162 2HZ LYS 18 HZ2 LYS 18 -10.647 5.684 0.868 163 3HZ LYS 18 HZ3 LYS 18 -10.153 4.596 -0.339 164 H LYS 19 HN LYS 19 -16.333 3.389 -3.709 165 HA LYS 19 HA LYS 19 -17.268 3.961 -1.053 166 1HB LYS 19 HB1 LYS 19 -19.457 4.080 -2.882 167 2HB LYS 19 HB2 LYS 19 -18.040 4.558 -3.803 168 1HG LYS 19 HG1 LYS 19 -18.738 5.746 -1.096 169 2HG LYS 19 HG2 LYS 19 -19.228 6.466 -2.624 170 1HD LYS 19 HD1 LYS 19 -17.083 7.115 -3.173 171 2HD LYS 19 HD2 LYS 19 -16.342 5.756 -2.337 172 1HE LYS 19 HE1 LYS 19 -15.911 7.904 -1.160 173 2HE LYS 19 HE2 LYS 19 -16.839 6.791 -0.162 174 1HZ LYS 19 HZ1 LYS 19 -18.133 8.843 -1.853 175 2HZ LYS 19 HZ2 LYS 19 -17.636 9.162 -0.260 176 3HZ LYS 19 HZ3 LYS 19 -18.803 7.965 -0.561 177 H HIS 20 HN HIS 20 -18.088 1.566 -3.506 178 HA HIS 20 HA HIS 20 -20.339 0.415 -2.247 179 1HB HIS 20 HB1 HIS 20 -18.153 -0.924 -3.892 180 2HB HIS 20 HB2 HIS 20 -19.621 -0.208 -4.550 181 HD1 HIS 20 HD1 HIS 20 -21.477 -1.875 -4.684 182 HD2 HIS 20 HD2 HIS 20 -18.647 -3.109 -2.032 183 HE1 HIS 20 HE1 HIS 20 -22.212 -4.085 -3.929 184 H ILE 21 HN ILE 21 -16.911 -0.535 -2.026 185 HA ILE 21 HA ILE 21 -17.361 -2.612 -0.138 186 HB ILE 21 HB ILE 21 -15.177 -1.848 -1.525 187 1HG1 ILE 21 HG11 ILE 21 -15.328 -3.284 1.134 188 2HG1 ILE 21 HG12 ILE 21 -13.818 -3.163 0.242 189 1HG2 ILE 21 HG21 ILE 21 -15.025 0.227 0.060 190 2HG2 ILE 21 HG22 ILE 21 -13.552 -0.686 -0.180 191 3HG2 ILE 21 HG23 ILE 21 -14.490 -0.897 1.294 192 1HD1 ILE 21 HD1 ILE 21 -15.777 -5.104 -0.145 193 2HD1 ILE 21 HD2 ILE 21 -14.474 -4.727 -1.266 194 3HD1 ILE 21 HD3 ILE 21 -16.055 -3.985 -1.473 195 NH1 ARG 22 NH1 ARG 22 -13.229 6.279 2.817 196 NH2 ARG 22 NH2 ARG 22 -14.952 6.966 4.151 197 H ARG 22 HN ARG 22 -17.037 0.849 0.275 198 HA ARG 22 HA ARG 22 -16.651 0.708 3.156 199 1HB ARG 22 HB1 ARG 22 -17.501 3.192 2.912 200 2HB ARG 22 HB2 ARG 22 -17.447 2.881 1.181 201 1HG ARG 22 HG1 ARG 22 -15.075 2.292 1.320 202 2HG ARG 22 HG2 ARG 22 -15.106 2.457 3.072 203 1HD ARG 22 HD1 ARG 22 -16.119 4.827 1.636 204 2HD ARG 22 HD2 ARG 22 -14.417 4.477 1.334 205 HE ARG 22 HE ARG 22 -15.066 4.340 4.162 206 1HH1 ARG 22 HH11 ARG 22 -12.797 5.553 2.283 207 2HH1 ARG 22 HH12 ARG 22 -12.801 7.180 2.874 208 1HH2 ARG 22 HH21 ARG 22 -15.812 6.753 4.615 209 2HH2 ARG 22 HH22 ARG 22 -14.553 7.878 4.230 210 H THR 23 HN THR 23 -19.412 0.440 1.096 211 HA THR 23 HA THR 23 -21.325 1.319 3.086 212 HB THR 23 HB THR 23 -21.789 -0.587 0.706 213 HG1 THR 23 HG1 THR 23 -22.362 1.547 -0.199 214 1HG2 THR 23 HG21 THR 23 -23.948 -0.453 1.673 215 2HG2 THR 23 HG22 THR 23 -23.953 1.132 0.912 216 3HG2 THR 23 HG23 THR 23 -23.541 0.973 2.617 217 H HIS 24 HN HIS 24 -19.500 -1.564 2.698 218 HA HIS 24 HA HIS 24 -21.425 -3.277 4.118 219 1HB HIS 24 HB1 HIS 24 -19.278 -4.787 4.252 220 2HB HIS 24 HB2 HIS 24 -18.532 -3.581 3.211 221 HD1 HIS 24 HD1 HIS 24 -21.721 -5.592 3.104 222 HD2 HIS 24 HD2 HIS 24 -18.858 -4.157 0.587 223 HE1 HIS 24 HE1 HIS 24 -22.315 -6.442 0.858 224 H THR 25 HN THR 25 -19.852 -0.716 5.178 225 HA THR 25 HA THR 25 -18.681 -1.911 7.609 226 HB THR 25 HB THR 25 -18.181 0.593 8.062 227 HG1 THR 25 HG1 THR 25 -19.869 0.589 5.886 228 1HG2 THR 25 HG21 THR 25 -16.638 0.887 6.108 229 2HG2 THR 25 HG22 THR 25 -17.485 -0.395 5.247 230 3HG2 THR 25 HG23 THR 25 -16.537 -0.775 6.682 231 H ASP 26 HN ASP 26 -20.110 1.120 7.950 232 HA ASP 26 HA ASP 26 -22.682 0.198 8.940 233 1HB ASP 26 HB1 ASP 26 -22.104 1.213 11.289 234 2HB ASP 26 HB2 ASP 26 -20.419 1.031 10.807 235 H VAL 27 HN VAL 27 -21.487 2.025 7.066 236 HA VAL 27 HA VAL 27 -22.202 4.673 8.196 237 HB VAL 27 HB VAL 27 -20.089 4.462 6.930 238 1HG1 VAL 27 HG11 VAL 27 -20.080 3.830 4.566 239 2HG1 VAL 27 HG12 VAL 27 -21.827 3.636 4.586 240 3HG1 VAL 27 HG13 VAL 27 -20.813 2.546 5.513 241 1HG2 VAL 27 HG21 VAL 27 -22.074 6.374 6.476 242 2HG2 VAL 27 HG22 VAL 27 -21.533 5.934 4.859 243 3HG2 VAL 27 HG23 VAL 27 -20.375 6.529 6.044 244 NH1 ARG 28 NH2 ARG 28 -25.736 -1.864 7.928 245 NH2 ARG 28 NH1 ARG 28 -24.039 -2.458 6.518 246 H ARG 28 HN ARG 28 -24.364 3.016 7.918 247 HA ARG 28 HA ARG 28 -25.808 4.109 5.543 248 1HB ARG 28 HB1 ARG 28 -27.369 2.126 6.031 249 2HB ARG 28 HB2 ARG 28 -26.147 1.564 7.165 250 1HG ARG 28 HG1 ARG 28 -24.529 1.884 5.105 251 2HG ARG 28 HG2 ARG 28 -26.014 1.760 4.173 252 1HD ARG 28 HD1 ARG 28 -25.007 -0.470 4.450 253 2HD ARG 28 HD2 ARG 28 -26.533 -0.387 5.326 254 HE ARG 28 HE ARG 28 -24.315 0.341 7.034 255 1HH1 ARG 28 HH21 ARG 28 -26.353 -1.157 8.275 256 2HH1 ARG 28 HH22 ARG 28 -25.789 -2.795 8.288 257 1HH2 ARG 28 HH11 ARG 28 -23.385 -2.198 5.810 258 2HH2 ARG 28 HH12 ARG 28 -24.063 -3.400 6.855 259 HA PRO 29 HA PRO 29 -27.696 6.048 9.313 260 1HB PRO 29 HB1 PRO 29 -27.236 8.270 8.959 261 2HB PRO 29 HB2 PRO 29 -28.445 8.318 7.676 262 1HG PRO 29 HG1 PRO 29 -25.557 8.356 7.401 263 2HG PRO 29 HG2 PRO 29 -26.766 8.456 6.121 264 1HD PRO 29 HD1 PRO 29 -26.355 6.303 5.511 265 2HD PRO 29 HD2 PRO 29 -25.060 6.236 6.717 266 OH TYR 30 OH TYR 30 -29.267 10.446 2.768 267 H TYR 30 HN TYR 30 -28.855 5.627 6.038 268 HA TYR 30 HA TYR 30 -31.634 6.192 6.696 269 1HB TYR 30 HB1 TYR 30 -32.072 5.255 4.424 270 2HB TYR 30 HB2 TYR 30 -30.430 4.633 4.354 271 HD1 TYR 30 HD1 TYR 30 -32.170 7.870 5.097 272 HD2 TYR 30 HD2 TYR 30 -28.866 5.960 3.217 273 HE1 TYR 30 HE1 TYR 30 -31.403 10.035 4.242 274 HE2 TYR 30 HE2 TYR 30 -28.097 8.127 2.367 275 HH TYR 30 HH TYR 30 -29.912 11.110 3.025 276 H HIS 31 HN HIS 31 -32.445 4.933 8.293 277 HA HIS 31 HA HIS 31 -32.240 1.958 7.964 278 1HB HIS 31 HB1 HIS 31 -32.722 1.873 10.418 279 2HB HIS 31 HB2 HIS 31 -32.850 3.629 10.453 280 HD1 HIS 31 HD1 HIS 31 -30.302 1.047 9.746 281 HD2 HIS 31 HD2 HIS 31 -30.468 4.966 10.769 282 HE1 HIS 31 HE1 HIS 31 -27.996 1.678 10.168 283 H CYS 32 HN CYS 32 -34.093 0.765 7.776 284 HA CYS 32 HA CYS 32 -36.514 2.035 7.023 285 1HB CYS 32 HB1 CYS 32 -35.781 -0.732 7.985 286 2HB CYS 32 HB2 CYS 32 -36.329 -0.240 6.406 287 H THR 33 HN THR 33 -38.493 2.298 8.131 288 HA THR 33 HA THR 33 -38.130 2.981 10.959 289 HB THR 33 HB THR 33 -40.531 3.171 9.044 290 HG1 THR 33 HG1 THR 33 -38.324 4.602 9.698 291 1HG2 THR 33 HG21 THR 33 -41.678 3.317 11.116 292 2HG2 THR 33 HG22 THR 33 -41.027 4.952 11.063 293 3HG2 THR 33 HG23 THR 33 -40.206 3.709 12.002 294 OH TYR 34 OH TYR 34 -44.480 2.452 9.307 295 H TYR 34 HN TYR 34 -38.191 0.132 9.862 296 HA TYR 34 HA TYR 34 -39.866 -0.929 12.048 297 1HB TYR 34 HB1 TYR 34 -41.066 -2.487 10.556 298 2HB TYR 34 HB2 TYR 34 -40.163 -1.902 9.163 299 HD1 TYR 34 HD2 TYR 34 -40.599 0.374 8.267 300 HD2 TYR 34 HD1 TYR 34 -42.889 -1.177 11.497 301 HE1 TYR 34 HE2 TYR 34 -42.282 2.119 7.911 302 HE2 TYR 34 HE1 TYR 34 -44.571 0.574 11.139 303 HH TYR 34 HH TYR 34 -45.199 2.302 9.925 304 H CYS 35 HN CYS 35 -38.373 -2.365 9.161 305 HA CYS 35 HA CYS 35 -37.264 -4.596 10.504 306 1HB CYS 35 HB1 CYS 35 -35.855 -4.853 8.527 307 2HB CYS 35 HB2 CYS 35 -36.026 -3.171 8.121 308 H ASN 36 HN ASN 36 -34.573 -4.581 9.742 309 HA ASN 36 HA ASN 36 -33.386 -2.507 11.536 310 1HB ASN 36 HB1 ASN 36 -32.710 -5.488 11.341 311 2HB ASN 36 HB2 ASN 36 -33.467 -4.692 12.720 312 1HD2 ASN 36 HD21 ASN 36 -31.926 -2.376 12.981 313 2HD2 ASN 36 HD22 ASN 36 -30.315 -2.789 13.321 314 H PHE 37 HN PHE 37 -33.615 -3.465 8.492 315 HA PHE 37 HA PHE 37 -30.791 -3.571 7.750 316 1HB PHE 37 HB1 PHE 37 -33.035 -2.959 5.810 317 2HB PHE 37 HB2 PHE 37 -32.941 -4.566 6.526 318 HD1 PHE 37 HD2 PHE 37 -30.714 -5.841 6.313 319 HD2 PHE 37 HD1 PHE 37 -31.604 -2.366 4.015 320 HE1 PHE 37 HE2 PHE 37 -28.953 -6.445 4.712 321 HE2 PHE 37 HE1 PHE 37 -29.842 -2.977 2.417 322 HZ PHE 37 HZ PHE 37 -28.517 -5.015 2.764 323 H SER 38 HN SER 38 -29.744 -1.990 6.410 324 HA SER 38 HA SER 38 -30.977 0.707 6.461 325 1HB SER 38 HB1 SER 38 -28.079 0.295 7.269 326 2HB SER 38 HB2 SER 38 -29.369 0.218 8.474 327 HG SER 38 HG1 SER 38 -29.361 2.286 6.582 328 H PHE 39 HN PHE 39 -30.103 2.173 4.964 329 HA PHE 39 HA PHE 39 -28.428 0.908 2.829 330 1HB PHE 39 HB1 PHE 39 -29.851 1.916 1.192 331 2HB PHE 39 HB2 PHE 39 -30.521 3.052 2.361 332 HD1 PHE 39 HD2 PHE 39 -31.963 2.126 4.250 333 HD2 PHE 39 HD1 PHE 39 -30.874 -0.227 0.875 334 HE1 PHE 39 HE2 PHE 39 -33.816 0.589 4.725 335 HE2 PHE 39 HE1 PHE 39 -32.725 -1.769 1.360 336 HZ PHE 39 HZ PHE 39 -34.201 -1.357 3.281 337 H LYS 40 HN LYS 40 -27.086 2.341 1.631 338 HA LYS 40 HA LYS 40 -26.021 4.523 3.270 339 1HB LYS 40 HB1 LYS 40 -25.258 3.290 0.584 340 2HB LYS 40 HB2 LYS 40 -24.445 3.062 2.116 341 1HG LYS 40 HG1 LYS 40 -24.553 5.667 0.547 342 2HG LYS 40 HG2 LYS 40 -23.163 4.612 0.704 343 1HD LYS 40 HD1 LYS 40 -23.386 4.923 3.234 344 2HD LYS 40 HD2 LYS 40 -24.492 6.241 2.876 345 1HE LYS 40 HE1 LYS 40 -22.328 7.246 3.082 346 2HE LYS 40 HE2 LYS 40 -22.667 7.185 1.357 347 1HZ LYS 40 HZ1 LYS 40 -21.240 4.961 2.646 348 2HZ LYS 40 HZ2 LYS 40 -20.401 6.381 2.238 349 3HZ LYS 40 HZ3 LYS 40 -21.187 5.482 1.030 350 H THR 41 HN THR 41 -28.263 4.166 0.744 351 HA THR 41 HA THR 41 -28.136 7.107 0.195 352 HB THR 41 HB THR 41 -28.751 6.645 -2.091 353 HG1 THR 41 HG1 THR 41 -30.405 5.298 -1.961 354 1HG2 THR 41 HG21 THR 41 -26.472 5.457 -1.266 355 2HG2 THR 41 HG22 THR 41 -27.131 5.025 -2.840 356 3HG2 THR 41 HG23 THR 41 -27.412 3.979 -1.452 357 H LYS 42 HN LYS 42 -30.122 8.158 -0.217 358 HA LYS 42 HA LYS 42 -32.230 7.216 1.534 359 1HB LYS 42 HB1 LYS 42 -32.012 9.653 -0.291 360 2HB LYS 42 HB2 LYS 42 -31.673 9.625 1.436 361 1HG LYS 42 HG1 LYS 42 -34.128 8.714 1.635 362 2HG LYS 42 HG2 LYS 42 -34.325 9.405 0.029 363 1HD LYS 42 HD1 LYS 42 -33.167 11.516 1.147 364 2HD LYS 42 HD2 LYS 42 -33.771 10.790 2.633 365 1HE LYS 42 HE1 LYS 42 -35.625 12.049 2.047 366 2HE LYS 42 HE2 LYS 42 -36.006 10.562 1.187 367 1HZ LYS 42 HZ1 LYS 42 -35.687 13.089 0.120 368 2HZ LYS 42 HZ2 LYS 42 -35.906 11.632 -0.724 369 3HZ LYS 42 HZ3 LYS 42 -34.338 12.196 -0.398 370 H GLY 43 HN GLY 43 -31.474 7.029 -1.786 371 1HA GLY 43 HA1 GLY 43 -32.675 6.167 -3.613 372 2HA GLY 43 HA2 GLY 43 -34.112 6.890 -2.894 373 H ASN 44 HN ASN 44 -31.879 4.224 -2.132 374 HA ASN 44 HA ASN 44 -33.629 2.100 -2.489 375 1HB ASN 44 HB1 ASN 44 -32.243 1.046 -0.526 376 2HB ASN 44 HB2 ASN 44 -31.374 2.576 -0.505 377 1HD2 ASN 44 HD21 ASN 44 -29.703 2.806 -1.997 378 2HD2 ASN 44 HD22 ASN 44 -29.437 1.772 -3.317 379 H LEU 45 HN LEU 45 -33.344 4.251 0.283 380 HA LEU 45 HA LEU 45 -34.997 2.864 2.102 381 1HB LEU 45 HB1 LEU 45 -35.067 5.885 1.724 382 2HB LEU 45 HB2 LEU 45 -33.621 5.102 2.336 383 HG LEU 45 HG LEU 45 -35.070 5.931 4.177 384 1HD1 LEU 45 HD11 LEU 45 -37.130 3.851 3.403 385 2HD1 LEU 45 HD12 LEU 45 -37.220 5.502 2.804 386 3HD1 LEU 45 HD13 LEU 45 -37.284 5.188 4.533 387 1HD2 LEU 45 HD21 LEU 45 -34.657 4.116 5.537 388 2HD2 LEU 45 HD22 LEU 45 -33.726 3.617 4.136 389 3HD2 LEU 45 HD23 LEU 45 -35.327 2.954 4.402 390 H THR 46 HN THR 46 -35.954 5.518 -0.075 391 HA THR 46 HA THR 46 -38.730 5.320 0.340 392 HB THR 46 HB THR 46 -37.363 5.973 -2.337 393 HG1 THR 46 HG1 THR 46 -37.281 7.065 0.168 394 1HG2 THR 46 HG21 THR 46 -39.871 6.033 -2.396 395 2HG2 THR 46 HG22 THR 46 -39.259 7.683 -2.376 396 3HG2 THR 46 HG23 THR 46 -39.896 6.962 -0.900 397 H LYS 47 HN LYS 47 -36.602 3.426 -1.699 398 HA LYS 47 HA LYS 47 -38.697 2.122 -3.194 399 1HB LYS 47 HB1 LYS 47 -36.045 0.802 -2.553 400 2HB LYS 47 HB2 LYS 47 -36.071 2.233 -3.578 401 1HG LYS 47 HG1 LYS 47 -37.706 1.116 -5.077 402 2HG LYS 47 HG2 LYS 47 -37.645 -0.319 -4.060 403 1HD LYS 47 HD1 LYS 47 -36.036 -0.917 -5.607 404 2HD LYS 47 HD2 LYS 47 -35.010 -0.030 -4.486 405 1HE LYS 47 HE1 LYS 47 -34.559 0.794 -6.723 406 2HE LYS 47 HE2 LYS 47 -35.431 2.047 -5.850 407 1HZ LYS 47 HZ1 LYS 47 -36.509 1.932 -7.871 408 2HZ LYS 47 HZ2 LYS 47 -37.497 0.978 -6.872 409 3HZ LYS 47 HZ3 LYS 47 -36.419 0.238 -7.955 410 H HIS 48 HN HIS 48 -36.801 1.109 -0.351 411 HA HIS 48 HA HIS 48 -38.111 -1.404 -0.028 412 1HB HIS 48 HB1 HIS 48 -36.736 0.455 1.976 413 2HB HIS 48 HB2 HIS 48 -36.034 -0.947 1.177 414 HD1 HIS 48 HD1 HIS 48 -37.538 -3.200 1.793 415 HD2 HIS 48 HD2 HIS 48 -37.677 -0.134 4.495 416 HE1 HIS 48 HE1 HIS 48 -38.322 -4.210 3.878 417 H MET 49 HN MET 49 -39.161 1.797 0.592 418 HA MET 49 HA MET 49 -41.316 0.845 2.411 419 1HB MET 49 HB1 MET 49 -41.803 3.419 2.431 420 2HB MET 49 HB2 MET 49 -40.262 3.584 1.595 421 1HG MET 49 HG1 MET 49 -39.129 2.400 3.412 422 2HG MET 49 HG2 MET 49 -40.647 2.148 4.229 423 1HE MET 49 HE1 MET 49 -39.084 4.315 6.833 424 2HE MET 49 HE2 MET 49 -38.239 3.120 5.849 425 3HE MET 49 HE3 MET 49 -39.888 2.809 6.391 426 H LYS 50 HN LYS 50 -40.758 1.927 -0.834 427 HA LYS 50 HA LYS 50 -43.462 2.677 -1.461 428 1HB LYS 50 HB1 LYS 50 -41.415 1.474 -3.377 429 2HB LYS 50 HB2 LYS 50 -41.333 3.146 -2.836 430 1HG LYS 50 HG1 LYS 50 -43.544 3.603 -3.764 431 2HG LYS 50 HG2 LYS 50 -43.752 1.909 -4.190 432 1HD LYS 50 HD1 LYS 50 -42.169 2.013 -5.918 433 2HD LYS 50 HD2 LYS 50 -41.369 3.422 -5.232 434 1HE LYS 50 HE1 LYS 50 -43.259 4.844 -5.818 435 2HE LYS 50 HE2 LYS 50 -44.187 3.451 -6.359 436 1HZ LYS 50 HZ1 LYS 50 -41.936 4.800 -7.648 437 2HZ LYS 50 HZ2 LYS 50 -43.370 4.189 -8.326 438 3HZ LYS 50 HZ3 LYS 50 -42.115 3.129 -7.896 439 H SER 51 HN SER 51 -41.665 -0.349 -2.013 440 HA SER 51 HA SER 51 -43.691 -1.830 -3.252 441 1HB SER 51 HB1 SER 51 -41.736 -2.851 -1.117 442 2HB SER 51 HB2 SER 51 -41.349 -2.676 -2.840 443 HG SER 51 HG1 SER 51 -43.075 -4.066 -3.310 444 H LYS 52 HN LYS 52 -44.621 -3.885 -1.961 445 HA LYS 52 HA LYS 52 -46.629 -2.743 -0.199 446 1HB LYS 52 HB1 LYS 52 -47.392 -5.158 -0.043 447 2HB LYS 52 HB2 LYS 52 -45.967 -5.629 -0.964 448 1HG LYS 52 HG1 LYS 52 -46.704 -4.461 -2.904 449 2HG LYS 52 HG2 LYS 52 -47.904 -3.548 -1.997 450 1HD LYS 52 HD1 LYS 52 -48.953 -5.383 -3.304 451 2HD LYS 52 HD2 LYS 52 -49.181 -5.611 -1.574 452 1HE LYS 52 HE1 LYS 52 -47.698 -7.393 -1.475 453 2HE LYS 52 HE2 LYS 52 -46.747 -6.813 -2.835 454 1HZ LYS 52 HZ1 LYS 52 -49.371 -7.401 -3.682 455 2HZ LYS 52 HZ2 LYS 52 -48.724 -8.743 -2.864 456 3HZ LYS 52 HZ3 LYS 52 -47.904 -8.083 -4.197 457 H ALA 53 HN ALA 53 -43.766 -2.730 0.664 458 HA ALA 53 HA ALA 53 -43.344 -4.614 2.751 459 1HB ALA 53 HB1 ALA 53 -41.554 -3.115 1.902 460 2HB ALA 53 HB2 ALA 53 -41.747 -2.873 3.636 461 3HB ALA 53 HB3 ALA 53 -42.423 -1.706 2.504 462 H HIS 54 HN HIS 54 -43.033 -1.788 4.379 463 HA HIS 54 HA HIS 54 -45.786 -1.774 5.460 464 1HB HIS 54 HB1 HIS 54 -44.947 -3.278 7.035 465 2HB HIS 54 HB2 HIS 54 -44.456 -1.777 7.808 466 HD1 HIS 54 HD1 HIS 54 -43.042 -4.825 6.960 467 HD2 HIS 54 HD2 HIS 54 -41.651 -0.991 6.642 468 HE1 HIS 54 HE1 HIS 54 -40.603 -5.020 6.832 469 H SER 55 HN SER 55 -45.807 0.345 4.528 470 HA SER 55 HA SER 55 -44.931 2.365 6.431 471 1HB SER 55 HB1 SER 55 -43.776 2.617 3.616 472 2HB SER 55 HB2 SER 55 -42.869 1.820 4.916 473 HG SER 55 HG1 SER 55 -43.865 3.920 6.030 474 H LYS 56 HN LYS 56 -47.263 1.318 4.701 475 HA LYS 56 HA LYS 56 -47.999 3.857 3.340 476 1HB LYS 56 HB1 LYS 56 -49.647 2.562 2.181 477 2HB LYS 56 HB2 LYS 56 -49.652 1.307 3.413 478 1HG LYS 56 HG1 LYS 56 -47.446 0.558 2.768 479 2HG LYS 56 HG2 LYS 56 -47.230 1.931 1.692 480 1HD LYS 56 HD1 LYS 56 -49.395 -0.182 1.360 481 2HD LYS 56 HD2 LYS 56 -47.865 -0.200 0.495 482 1HE LYS 56 HE1 LYS 56 -48.754 2.376 0.024 483 2HE LYS 56 HE2 LYS 56 -50.258 1.466 0.040 484 1HZ LYS 56 HZ1 LYS 56 -48.587 1.688 -2.063 485 2HZ LYS 56 HZ2 LYS 56 -49.762 0.476 -1.870 486 3HZ LYS 56 HZ3 LYS 56 -48.151 0.176 -1.423 487 H LYS 57 HN LYS 57 -48.060 3.011 6.357 488 HA LYS 57 HA LYS 57 -50.711 2.995 7.267 489 1HB LYS 57 HB1 LYS 57 -48.455 4.531 8.619 490 2HB LYS 57 HB2 LYS 57 -48.511 2.773 8.617 491 1HG LYS 57 HG1 LYS 57 -50.475 2.707 9.912 492 2HG LYS 57 HG2 LYS 57 -50.921 4.357 9.490 493 1HD LYS 57 HD1 LYS 57 -48.344 3.913 10.957 494 2HD LYS 57 HD2 LYS 57 -49.848 3.801 11.863 495 1HE LYS 57 HE1 LYS 57 -49.458 6.130 10.014 496 2HE LYS 57 HE2 LYS 57 -48.626 6.140 11.564 497 1HZ LYS 57 HZ1 LYS 57 -51.545 5.880 11.121 498 2HZ LYS 57 HZ2 LYS 57 -50.729 7.207 11.798 499 3HZ LYS 57 LYS 57 -50.788 5.729 12.633 Start of MODEL 43 Raw file had 499 H/Q atoms Start of MODEL 43 1 1H LYS 1 HT1 LYS 1 -6.562 -2.375 -9.764 2 2H LYS 1 HT2 LYS 1 -7.131 -2.117 -8.184 3 3H LYS 1 HT3 LYS 1 -7.461 -0.980 -9.401 4 HA LYS 1 HA LYS 1 -8.892 -2.450 -10.543 5 1HB LYS 1 HB1 LYS 1 -7.517 -4.521 -9.982 6 2HB LYS 1 HB2 LYS 1 -9.248 -4.753 -9.764 7 1HG LYS 1 HG1 LYS 1 -9.091 -4.599 -7.407 8 2HG LYS 1 HG2 LYS 1 -7.509 -3.833 -7.473 9 1HD LYS 1 HD1 LYS 1 -6.547 -5.939 -8.385 10 2HD LYS 1 HD2 LYS 1 -8.129 -6.700 -8.261 11 1HE LYS 1 HE1 LYS 1 -7.346 -7.337 -6.200 12 2HE LYS 1 HE2 LYS 1 -7.887 -5.728 -5.739 13 1HZ LYS 1 HZ1 LYS 1 -5.482 -5.135 -6.611 14 2HZ LYS 1 HZ2 LYS 1 -5.186 -6.738 -6.136 15 3HZ LYS 1 HZ3 LYS 1 -5.774 -5.614 -5.007 16 OH TYR 2 OH TYR 2 -8.461 3.676 -8.871 17 H TYR 2 HN TYR 2 -10.959 -2.035 -10.101 18 HA TYR 2 HA TYR 2 -11.674 -1.449 -7.249 19 1HB TYR 2 HB1 TYR 2 -13.380 0.078 -8.208 20 2HB TYR 2 HB2 TYR 2 -12.929 -0.412 -9.838 21 HD1 TYR 2 HD2 TYR 2 -11.609 1.207 -6.754 22 HD2 TYR 2 HD1 TYR 2 -11.079 0.612 -10.931 23 HE1 TYR 2 HE2 TYR 2 -9.842 2.908 -6.773 24 HE2 TYR 2 HE1 TYR 2 -9.310 2.309 -10.949 25 HH TYR 2 HH TYR 2 -8.874 4.536 -8.972 26 H ILE 3 HN ILE 3 -11.892 -3.967 -7.496 27 HA ILE 3 HA ILE 3 -14.749 -4.532 -8.197 28 HB ILE 3 HB ILE 3 -12.438 -6.524 -8.183 29 1HG1 ILE 3 HG11 ILE 3 -12.012 -4.803 -9.886 30 2HG1 ILE 3 HG12 ILE 3 -13.641 -5.002 -10.522 31 1HG2 ILE 3 HG21 ILE 3 -14.877 -7.306 -7.980 32 2HG2 ILE 3 HG22 ILE 3 -14.033 -7.941 -9.387 33 3HG2 ILE 3 HG23 ILE 3 -15.164 -6.605 -9.568 34 1HD1 ILE 3 HD1 ILE 3 -11.859 -7.412 -10.287 35 2HD1 ILE 3 HD2 ILE 3 -11.629 -6.306 -11.637 36 3HD1 ILE 3 HD3 ILE 3 -13.178 -7.115 -11.415 37 H CYS 4 HN CYS 4 -15.736 -4.439 -6.199 38 HA CYS 4 HA CYS 4 -14.591 -5.034 -3.729 39 1HB CYS 4 HB1 CYS 4 -17.417 -5.490 -4.711 40 2HB CYS 4 HB2 CYS 4 -16.831 -4.140 -3.783 41 H GLU 5 HN GLU 5 -13.614 -6.757 -3.045 42 HA GLU 5 HA GLU 5 -13.635 -9.263 -4.362 43 1HB GLU 5 HB1 GLU 5 -12.659 -10.028 -2.039 44 2HB GLU 5 HB2 GLU 5 -12.758 -8.322 -1.618 45 1HG GLU 5 HG1 GLU 5 -11.414 -7.778 -3.657 46 2HG GLU 5 HG2 GLU 5 -11.252 -9.502 -3.979 47 H GLU 6 HN GLU 6 -15.894 -7.922 -2.165 48 HA GLU 6 HA GLU 6 -16.884 -10.553 -1.345 49 1HB GLU 6 HB1 GLU 6 -18.210 -7.898 -0.734 50 2HB GLU 6 HB2 GLU 6 -16.766 -8.395 0.137 51 1HG GLU 6 HG1 GLU 6 -19.127 -10.259 -0.121 52 2HG GLU 6 HG2 GLU 6 -19.082 -9.034 1.144 53 H CYS 7 HN CYS 7 -18.587 -7.670 -2.556 54 HA CYS 7 HA CYS 7 -20.687 -9.335 -3.691 55 1HB CYS 7 HB1 CYS 7 -21.718 -7.290 -4.325 56 2HB CYS 7 HB2 CYS 7 -20.202 -6.446 -4.423 57 H GLY 8 HN GLY 8 -18.121 -7.284 -5.033 58 1HA GLY 8 HA1 GLY 8 -18.327 -8.855 -7.568 59 2HA GLY 8 HA2 GLY 8 -16.862 -8.065 -7.001 60 H ILE 9 HN ILE 9 -18.912 -5.816 -6.185 61 HA ILE 9 HA ILE 9 -20.000 -4.703 -8.522 62 HB ILE 9 HB ILE 9 -20.238 -3.943 -6.038 63 1HG1 ILE 9 HG11 ILE 9 -20.094 -2.208 -8.475 64 2HG1 ILE 9 HG12 ILE 9 -20.337 -1.431 -6.914 65 1HG2 ILE 9 HG21 ILE 9 -17.959 -2.073 -6.831 66 2HG2 ILE 9 HG22 ILE 9 -17.648 -3.551 -5.934 67 3HG2 ILE 9 HG23 ILE 9 -18.664 -2.305 -5.242 68 1HD1 ILE 9 HD1 ILE 9 -22.424 -2.277 -8.300 69 2HD1 ILE 9 HD2 ILE 9 -22.388 -2.493 -6.553 70 3HD1 ILE 9 HD3 ILE 9 -21.991 -3.840 -7.615 71 NH1 ARG 10 NH1 ARG 10 -17.648 -6.028 -15.772 72 NH2 ARG 10 NH2 ARG 10 -17.108 -4.394 -17.276 73 H ARG 10 HN ARG 10 -19.130 -3.833 -10.284 74 HA ARG 10 HA ARG 10 -16.197 -3.292 -10.261 75 1HB ARG 10 HB1 ARG 10 -18.009 -3.474 -12.702 76 2HB ARG 10 HB2 ARG 10 -17.343 -4.914 -11.943 77 1HG ARG 10 HG1 ARG 10 -15.043 -3.879 -12.196 78 2HG ARG 10 HG2 ARG 10 -15.791 -2.603 -13.150 79 1HD ARG 10 HD1 ARG 10 -16.065 -5.556 -13.801 80 2HD ARG 10 HD2 ARG 10 -14.846 -4.509 -14.526 81 HE ARG 10 HE ARG 10 -17.218 -3.155 -14.983 82 1HH1 ARG 10 HH11 ARG 10 -17.705 -6.331 -14.822 83 2HH1 ARG 10 HH12 ARG 10 -17.932 -6.639 -16.511 84 1HH2 ARG 10 HH21 ARG 10 -16.761 -3.472 -17.451 85 2HH2 ARG 10 HH22 ARG 10 -17.385 -4.979 -18.039 86 H ABA 11 HN ABU 11 -16.024 -1.221 -9.549 87 HA ABA 11 HA ABU 11 -17.435 0.875 -11.168 88 1HB ABA 11 HB1 ABU 11 -17.341 2.305 -9.180 89 2HB ABA 11 HB2 ABU 11 -16.364 1.131 -8.322 90 1HG ABA 11 HG1 ABU 11 -19.252 0.812 -9.186 91 2HG ABA 11 HG2 ABU 11 -18.644 0.899 -7.536 92 3HG ABA 11 HG3 ABU 11 -18.283 -0.504 -8.535 93 H LYS 12 HN LYS 12 -15.783 1.023 -12.691 94 HA LYS 12 HA LYS 12 -13.042 1.152 -12.301 95 1HB LYS 12 HB1 LYS 12 -13.013 2.602 -14.359 96 2HB LYS 12 HB2 LYS 12 -14.750 2.835 -14.191 97 1HG LYS 12 HG1 LYS 12 -14.851 0.220 -14.170 98 2HG LYS 12 HG2 LYS 12 -13.244 0.316 -14.880 99 1HD LYS 12 HD1 LYS 12 -14.215 1.893 -16.617 100 2HD LYS 12 HD2 LYS 12 -15.808 1.507 -15.977 101 1HE LYS 12 HE1 LYS 12 -15.534 -0.032 -17.753 102 2HE LYS 12 HE2 LYS 12 -15.126 -0.972 -16.322 103 1HZ LYS 12 HZ1 LYS 12 -12.844 -0.746 -16.756 104 2HZ LYS 12 HZ2 LYS 12 -13.095 0.449 -17.936 105 3HZ LYS 12 HZ3 LYS 12 -13.555 -1.156 -18.242 106 H LYS 13 HN LYS 13 -15.320 3.294 -11.020 107 HA LYS 13 HA LYS 13 -13.351 5.492 -10.818 108 1HB LYS 13 HB1 LYS 13 -15.458 6.628 -9.714 109 2HB LYS 13 HB2 LYS 13 -16.328 5.241 -10.353 110 1HG LYS 13 HG1 LYS 13 -16.470 6.950 -12.040 111 2HG LYS 13 HG2 LYS 13 -15.308 5.767 -12.625 112 1HD LYS 13 HD1 LYS 13 -13.689 7.341 -12.709 113 2HD LYS 13 HD2 LYS 13 -13.936 7.746 -11.017 114 1HE LYS 13 HE1 LYS 13 -15.570 8.807 -13.343 115 2HE LYS 13 HE2 LYS 13 -14.354 9.710 -12.447 116 1HZ LYS 13 HZ1 LYS 13 -15.806 9.047 -10.427 117 2HZ LYS 13 HZ2 LYS 13 -17.022 8.842 -11.594 118 3HZ LYS 13 HZ3 LYS 13 -16.266 10.352 -11.410 119 HA PRO 14 HA PRO 14 -12.405 4.061 -6.647 120 1HB PRO 14 HB1 PRO 14 -10.469 5.260 -6.294 121 2HB PRO 14 HB2 PRO 14 -11.440 6.642 -5.788 122 1HG PRO 14 HG1 PRO 14 -9.888 6.420 -8.184 123 2HG PRO 14 HG2 PRO 14 -10.980 7.736 -7.750 124 1HD PRO 14 HD1 PRO 14 -12.393 7.054 -9.406 125 2HD PRO 14 HD2 PRO 14 -11.361 5.649 -9.739 126 H SER 15 HN SER 15 -13.442 7.490 -6.709 127 HA SER 15 HA SER 15 -14.665 7.698 -4.256 128 1HB SER 15 HB1 SER 15 -14.680 9.536 -5.974 129 2HB SER 15 HB2 SER 15 -16.331 9.259 -5.380 130 HG SER 15 HG1 SER 15 -15.298 7.768 -7.534 131 H MET 16 HN MET 16 -15.999 6.072 -7.092 132 HA MET 16 HA MET 16 -18.535 5.478 -5.832 133 1HB MET 16 HB1 MET 16 -18.554 3.686 -7.748 134 2HB MET 16 HB2 MET 16 -17.038 4.423 -8.259 135 1HG MET 16 HG1 MET 16 -18.722 5.547 -9.482 136 2HG MET 16 HG2 MET 16 -18.231 6.648 -8.224 137 1HE MET 16 HE1 MET 16 -22.138 6.751 -9.464 138 2HE MET 16 HE2 MET 16 -20.916 5.783 -10.289 139 3HE MET 16 HE3 MET 16 -20.550 7.439 -9.807 140 H LEU 17 HN LEU 17 -15.663 3.448 -6.543 141 HA LEU 17 HA LEU 17 -16.654 1.189 -5.091 142 1HB LEU 17 HB1 LEU 17 -13.710 1.868 -5.380 143 2HB LEU 17 HB2 LEU 17 -14.641 1.398 -6.781 144 HG LEU 17 HG LEU 17 -13.447 -0.539 -5.737 145 1HD1 LEU 17 HD11 LEU 17 -15.347 -0.283 -3.398 146 2HD1 LEU 17 HD12 LEU 17 -13.736 0.419 -3.371 147 3HD1 LEU 17 HD13 LEU 17 -13.940 -1.318 -3.554 148 1HD2 LEU 17 HD21 LEU 17 -15.873 -0.601 -6.843 149 2HD2 LEU 17 HD22 LEU 17 -16.352 -1.107 -5.232 150 3HD2 LEU 17 HD23 LEU 17 -15.163 -2.041 -6.129 151 H LYS 18 HN LYS 18 -14.123 3.528 -4.268 152 HA LYS 18 HA LYS 18 -13.489 2.946 -1.707 153 1HB LYS 18 HB1 LYS 18 -13.479 5.491 -1.277 154 2HB LYS 18 HB2 LYS 18 -14.225 5.674 -2.861 155 1HG LYS 18 HG1 LYS 18 -12.327 4.671 -3.959 156 2HG LYS 18 HG2 LYS 18 -11.630 4.171 -2.425 157 1HD LYS 18 HD1 LYS 18 -11.494 6.616 -1.787 158 2HD LYS 18 HD2 LYS 18 -11.980 7.009 -3.433 159 1HE LYS 18 HE1 LYS 18 -9.694 7.017 -3.742 160 2HE LYS 18 HE2 LYS 18 -9.984 5.301 -4.000 161 1HZ LYS 18 HZ1 LYS 18 -8.678 4.871 -2.296 162 2HZ LYS 18 HZ2 LYS 18 -9.726 5.712 -1.258 163 3HZ LYS 18 HZ3 LYS 18 -8.442 6.529 -2.012 164 H LYS 19 HN LYS 19 -16.460 4.655 -2.643 165 HA LYS 19 HA LYS 19 -17.423 4.823 0.056 166 1HB LYS 19 HB1 LYS 19 -19.674 5.198 -1.239 167 2HB LYS 19 HB2 LYS 19 -18.685 5.117 -2.693 168 1HG LYS 19 HG1 LYS 19 -17.217 6.918 -1.694 169 2HG LYS 19 HG2 LYS 19 -18.392 7.074 -0.391 170 1HD LYS 19 HD1 LYS 19 -19.973 7.150 -2.673 171 2HD LYS 19 HD2 LYS 19 -18.537 8.048 -3.155 172 1HE LYS 19 HE1 LYS 19 -20.005 9.653 -2.151 173 2HE LYS 19 HE2 LYS 19 -18.758 9.328 -0.954 174 1HZ LYS 19 HZ1 LYS 19 -20.963 9.315 0.020 175 2HZ LYS 19 HZ2 LYS 19 -20.238 7.784 0.141 176 3HZ LYS 19 HZ3 LYS 19 -21.439 8.065 -1.025 177 H HIS 20 HN HIS 20 -17.981 2.621 -2.645 178 HA HIS 20 HA HIS 20 -20.033 1.053 -1.488 179 1HB HIS 20 HB1 HIS 20 -17.765 0.244 -3.353 180 2HB HIS 20 HB2 HIS 20 -19.353 0.801 -3.863 181 HD1 HIS 20 HD1 HIS 20 -20.925 -1.115 -4.187 182 HD2 HIS 20 HD2 HIS 20 -17.846 -2.198 -1.763 183 HE1 HIS 20 HE1 HIS 20 -21.261 -3.501 -3.730 184 H ILE 21 HN ILE 21 -16.499 0.514 -1.467 185 HA ILE 21 HA ILE 21 -16.605 -1.806 0.157 186 HB ILE 21 HB ILE 21 -14.565 -0.547 -1.104 187 1HG1 ILE 21 HG11 ILE 21 -14.335 -2.246 1.408 188 2HG1 ILE 21 HG12 ILE 21 -12.990 -1.910 0.327 189 1HG2 ILE 21 HG21 ILE 21 -13.109 0.634 0.417 190 2HG2 ILE 21 HG22 ILE 21 -14.023 0.122 1.828 191 3HG2 ILE 21 HG23 ILE 21 -14.695 1.301 0.721 192 1HD1 ILE 21 HD1 ILE 21 -15.105 -2.775 -1.347 193 2HD1 ILE 21 HD2 ILE 21 -15.112 -3.865 0.034 194 3HD1 ILE 21 HD3 ILE 21 -13.652 -3.672 -0.928 195 NH1 ARG 22 NH2 ARG 22 -13.207 6.543 4.558 196 NH2 ARG 22 NH1 ARG 22 -12.586 6.981 2.403 197 H ARG 22 HN ARG 22 -16.719 1.599 1.001 198 HA ARG 22 HA ARG 22 -16.426 1.069 3.864 199 1HB ARG 22 HB1 ARG 22 -17.394 3.527 3.913 200 2HB ARG 22 HB2 ARG 22 -17.200 3.469 2.164 201 1HG ARG 22 HG1 ARG 22 -14.793 2.726 2.579 202 2HG ARG 22 HG2 ARG 22 -15.047 3.131 4.270 203 1HD ARG 22 HD1 ARG 22 -15.530 5.448 3.703 204 2HD ARG 22 HD2 ARG 22 -15.494 5.075 1.981 205 HE ARG 22 HE ARG 22 -13.002 4.334 2.638 206 1HH1 ARG 22 HH21 ARG 22 -13.627 5.922 5.218 207 2HH1 ARG 22 HH22 ARG 22 -12.844 7.425 4.861 208 1HH2 ARG 22 HH11 ARG 22 -12.542 6.687 1.448 209 2HH2 ARG 22 HH12 ARG 22 -12.214 7.870 2.670 210 H THR 23 HN THR 23 -18.953 0.744 1.624 211 HA THR 23 HA THR 23 -21.089 1.350 3.494 212 HB THR 23 HB THR 23 -21.360 -0.458 1.018 213 HG1 THR 23 HG1 THR 23 -21.462 1.527 -0.111 214 1HG2 THR 23 HG21 THR 23 -23.595 -0.082 1.701 215 2HG2 THR 23 HG22 THR 23 -23.346 1.486 0.945 216 3HG2 THR 23 HG23 THR 23 -23.166 1.308 2.685 217 H HIS 24 HN HIS 24 -19.002 -1.315 2.974 218 HA HIS 24 HA HIS 24 -20.817 -3.355 4.014 219 1HB HIS 24 HB1 HIS 24 -18.464 -4.539 4.376 220 2HB HIS 24 HB2 HIS 24 -17.834 -3.176 3.459 221 HD1 HIS 24 HD1 HIS 24 -20.265 -5.982 3.010 222 HD2 HIS 24 HD2 HIS 24 -18.224 -3.291 0.733 223 HE1 HIS 24 HE1 HIS 24 -20.594 -6.701 0.668 224 H THR 25 HN THR 25 -19.619 -0.717 5.434 225 HA THR 25 HA THR 25 -18.813 -2.002 7.972 226 HB THR 25 HB THR 25 -18.351 0.435 8.596 227 HG1 THR 25 HG1 THR 25 -18.630 1.694 6.484 228 1HG2 THR 25 HG21 THR 25 -16.649 -0.886 7.133 229 2HG2 THR 25 HG22 THR 25 -16.587 0.864 6.945 230 3HG2 THR 25 HG23 THR 25 -17.414 -0.122 5.744 231 H ASP 26 HN ASP 26 -20.198 0.963 8.425 232 HA ASP 26 HA ASP 26 -22.933 0.007 8.860 233 1HB ASP 26 HB1 ASP 26 -22.818 0.797 11.299 234 2HB ASP 26 HB2 ASP 26 -21.070 0.908 11.115 235 H VAL 27 HN VAL 27 -21.471 1.913 7.274 236 HA VAL 27 HA VAL 27 -22.252 4.534 8.387 237 HB VAL 27 HB VAL 27 -20.096 4.319 7.204 238 1HG1 VAL 27 HG11 VAL 27 -21.744 3.511 4.791 239 2HG1 VAL 27 HG12 VAL 27 -20.762 2.418 5.749 240 3HG1 VAL 27 HG13 VAL 27 -19.996 3.705 4.835 241 1HG2 VAL 27 HG21 VAL 27 -22.036 6.258 6.665 242 2HG2 VAL 27 HG22 VAL 27 -21.427 5.812 5.073 243 3HG2 VAL 27 HG23 VAL 27 -20.316 6.389 6.311 244 NH1 ARG 28 NH2 ARG 28 -25.136 -2.560 6.379 245 NH2 ARG 28 NH1 ARG 28 -25.111 -1.543 8.425 246 H ARG 28 HN ARG 28 -24.438 2.968 8.026 247 HA ARG 28 HA ARG 28 -25.774 4.086 5.604 248 1HB ARG 28 HB1 ARG 28 -27.422 2.152 6.122 249 2HB ARG 28 HB2 ARG 28 -26.179 1.551 7.210 250 1HG ARG 28 HG1 ARG 28 -24.622 1.895 5.094 251 2HG ARG 28 HG2 ARG 28 -26.142 1.765 4.221 252 1HD ARG 28 HD1 ARG 28 -25.113 -0.460 4.456 253 2HD ARG 28 HD2 ARG 28 -26.605 -0.385 5.392 254 HE ARG 28 HE ARG 28 -24.201 0.303 6.923 255 1HH1 ARG 28 HH21 ARG 28 -25.071 -2.484 5.383 256 2HH1 ARG 28 HH22 ARG 28 -25.283 -3.453 6.803 257 1HH2 ARG 28 HH11 ARG 28 -25.026 -0.705 8.962 258 2HH2 ARG 28 HH12 ARG 28 -25.257 -2.420 8.883 259 HA PRO 29 HA PRO 29 -27.659 6.176 9.294 260 1HB PRO 29 HB1 PRO 29 -27.322 8.397 8.815 261 2HB PRO 29 HB2 PRO 29 -28.454 8.309 7.465 262 1HG PRO 29 HG1 PRO 29 -25.530 8.348 7.380 263 2HG PRO 29 HG2 PRO 29 -26.665 8.451 6.033 264 1HD PRO 29 HD1 PRO 29 -26.316 6.267 5.499 265 2HD PRO 29 HD2 PRO 29 -25.034 6.216 6.721 266 OH TYR 30 OH TYR 30 -30.031 10.571 2.632 267 H TYR 30 HN TYR 30 -28.938 5.861 6.003 268 HA TYR 30 HA TYR 30 -31.689 6.279 6.736 269 1HB TYR 30 HB1 TYR 30 -32.139 5.128 4.519 270 2HB TYR 30 HB2 TYR 30 -30.430 4.719 4.423 271 HD1 TYR 30 HD1 TYR 30 -32.714 7.652 4.816 272 HD2 TYR 30 HD2 TYR 30 -28.919 6.267 3.486 273 HE1 TYR 30 HE1 TYR 30 -32.231 9.868 3.885 274 HE2 TYR 30 HE2 TYR 30 -28.438 8.481 2.554 275 HH TYR 30 HH TYR 30 -30.415 11.228 3.216 276 H HIS 31 HN HIS 31 -32.721 5.056 8.183 277 HA HIS 31 HA HIS 31 -32.355 2.077 8.048 278 1HB HIS 31 HB1 HIS 31 -32.824 2.081 10.511 279 2HB HIS 31 HB2 HIS 31 -32.951 3.837 10.476 280 HD1 HIS 31 HD1 HIS 31 -30.385 1.299 9.599 281 HD2 HIS 31 HD2 HIS 31 -30.592 5.111 10.963 282 HE1 HIS 31 HE1 HIS 31 -28.083 1.925 10.048 283 H CYS 32 HN CYS 32 -34.188 0.854 7.877 284 HA CYS 32 HA CYS 32 -36.661 2.137 7.216 285 1HB CYS 32 HB1 CYS 32 -35.900 -0.695 8.004 286 2HB CYS 32 HB2 CYS 32 -36.366 -0.103 6.429 287 H THR 33 HN THR 33 -38.621 2.247 8.390 288 HA THR 33 HA THR 33 -38.201 2.764 11.241 289 HB THR 33 HB THR 33 -40.873 2.771 9.724 290 HG1 THR 33 HG1 THR 33 -38.895 4.795 10.010 291 1HG2 THR 33 HG21 THR 33 -40.047 4.913 11.644 292 2HG2 THR 33 HG22 THR 33 -40.277 3.336 12.394 293 3HG2 THR 33 HG23 THR 33 -41.602 4.095 11.517 294 OH TYR 34 OH TYR 34 -44.919 1.699 9.930 295 H TYR 34 HN TYR 34 -38.318 -0.014 9.813 296 HA TYR 34 HA TYR 34 -39.799 -1.306 12.037 297 1HB TYR 34 HB1 TYR 34 -40.879 -2.884 10.425 298 2HB TYR 34 HB2 TYR 34 -40.133 -2.031 9.081 299 HD1 TYR 34 HD2 TYR 34 -40.802 0.354 8.612 300 HD2 TYR 34 HD1 TYR 34 -42.855 -2.019 11.485 301 HE1 TYR 34 HE2 TYR 34 -42.701 1.904 8.537 302 HE2 TYR 34 HE1 TYR 34 -44.753 -0.467 11.406 303 HH TYR 34 HH TYR 34 -44.971 2.140 10.781 304 H CYS 35 HN CYS 35 -38.235 -2.351 9.022 305 HA CYS 35 HA CYS 35 -36.956 -4.611 10.226 306 1HB CYS 35 HB1 CYS 35 -35.716 -4.763 8.148 307 2HB CYS 35 HB2 CYS 35 -35.959 -3.076 7.805 308 H ASN 36 HN ASN 36 -34.585 -4.913 10.253 309 HA ASN 36 HA ASN 36 -33.338 -2.588 11.616 310 1HB ASN 36 HB1 ASN 36 -32.163 -5.388 11.371 311 2HB ASN 36 HB2 ASN 36 -33.423 -5.049 12.553 312 1HD2 ASN 36 HD21 ASN 36 -32.509 -4.641 14.553 313 2HD2 ASN 36 HD22 ASN 36 -31.069 -3.782 14.819 314 H PHE 37 HN PHE 37 -33.680 -3.395 8.612 315 HA PHE 37 HA PHE 37 -30.909 -3.523 7.688 316 1HB PHE 37 HB1 PHE 37 -33.280 -2.802 5.946 317 2HB PHE 37 HB2 PHE 37 -33.124 -4.444 6.560 318 HD1 PHE 37 HD2 PHE 37 -30.816 -5.614 6.173 319 HD2 PHE 37 HD1 PHE 37 -32.091 -2.171 4.017 320 HE1 PHE 37 HE2 PHE 37 -29.183 -6.110 4.406 321 HE2 PHE 37 HE1 PHE 37 -30.458 -2.673 2.252 322 HZ PHE 37 HZ PHE 37 -29.003 -4.642 2.447 323 H SER 38 HN SER 38 -29.845 -1.917 6.482 324 HA SER 38 HA SER 38 -31.027 0.800 6.632 325 1HB SER 38 HB1 SER 38 -28.120 0.301 7.345 326 2HB SER 38 HB2 SER 38 -29.378 0.216 8.582 327 HG SER 38 HG1 SER 38 -29.265 2.340 6.736 328 H PHE 39 HN PHE 39 -30.283 2.251 5.103 329 HA PHE 39 HA PHE 39 -28.678 1.031 2.897 330 1HB PHE 39 HB1 PHE 39 -30.115 2.132 1.356 331 2HB PHE 39 HB2 PHE 39 -30.641 3.312 2.556 332 HD1 PHE 39 HD2 PHE 39 -32.046 2.457 4.540 333 HD2 PHE 39 HD1 PHE 39 -31.355 0.120 1.047 334 HE1 PHE 39 HE2 PHE 39 -33.948 1.018 5.121 335 HE2 PHE 39 HE1 PHE 39 -33.273 -1.300 1.622 336 HZ PHE 39 HZ PHE 39 -34.566 -0.856 3.662 337 H LYS 40 HN LYS 40 -27.389 2.491 1.650 338 HA LYS 40 HA LYS 40 -26.119 4.534 3.344 339 1HB LYS 40 HB1 LYS 40 -25.483 3.327 0.616 340 2HB LYS 40 HB2 LYS 40 -24.695 2.961 2.131 341 1HG LYS 40 HG1 LYS 40 -24.574 5.621 0.665 342 2HG LYS 40 HG2 LYS 40 -23.274 4.452 0.803 343 1HD LYS 40 HD1 LYS 40 -23.549 4.702 3.350 344 2HD LYS 40 HD2 LYS 40 -24.480 6.149 2.987 345 1HE LYS 40 HE1 LYS 40 -22.321 7.026 3.176 346 2HE LYS 40 HE2 LYS 40 -22.427 6.734 1.444 347 1HZ LYS 40 HZ1 LYS 40 -20.363 5.903 2.396 348 2HZ LYS 40 HZ2 LYS 40 -21.294 4.646 1.738 349 3HZ LYS 40 HZ3 LYS 40 -21.239 4.870 3.420 350 H THR 41 HN THR 41 -28.407 4.383 0.814 351 HA THR 41 HA THR 41 -28.189 7.346 0.497 352 HB THR 41 HB THR 41 -28.426 7.144 -1.898 353 HG1 THR 41 HG1 THR 41 -30.152 5.652 -1.702 354 1HG2 THR 41 HG21 THR 41 -26.214 6.046 -0.955 355 2HG2 THR 41 HG22 THR 41 -26.690 5.549 -2.575 356 3HG2 THR 41 HG23 THR 41 -27.026 4.502 -1.198 357 H LYS 42 HN LYS 42 -30.105 8.410 -0.098 358 HA LYS 42 HA LYS 42 -32.419 7.367 1.240 359 1HB LYS 42 HB1 LYS 42 -32.108 9.768 -0.623 360 2HB LYS 42 HB2 LYS 42 -31.887 9.808 1.122 361 1HG LYS 42 HG1 LYS 42 -34.264 9.003 1.373 362 2HG LYS 42 HG2 LYS 42 -34.455 9.173 -0.368 363 1HD LYS 42 HD1 LYS 42 -33.292 11.595 0.563 364 2HD LYS 42 HD2 LYS 42 -34.616 11.216 1.658 365 1HE LYS 42 HE1 LYS 42 -34.801 11.312 -1.372 366 2HE LYS 42 HE2 LYS 42 -35.420 12.536 -0.271 367 1HZ LYS 42 HZ1 LYS 42 -36.895 10.886 0.685 368 2HZ LYS 42 HZ2 LYS 42 -36.295 9.704 -0.374 369 3HZ LYS 42 HZ3 LYS 42 -37.157 11.032 -0.987 370 H GLY 43 HN GLY 43 -31.203 7.184 -1.954 371 1HA GLY 43 HA1 GLY 43 -32.101 6.230 -3.906 372 2HA GLY 43 HA2 GLY 43 -33.654 6.898 -3.404 373 H ASN 44 HN ASN 44 -31.425 4.313 -2.385 374 HA ASN 44 HA ASN 44 -33.167 2.174 -2.877 375 1HB ASN 44 HB1 ASN 44 -31.771 1.002 -1.061 376 2HB ASN 44 HB2 ASN 44 -30.974 2.547 -0.789 377 1HD2 ASN 44 HD21 ASN 44 -30.351 3.589 -3.145 378 2HD2 ASN 44 HD22 ASN 44 -29.506 2.515 -4.150 379 H LEU 45 HN LEU 45 -32.893 4.255 -0.047 380 HA LEU 45 HA LEU 45 -34.556 2.777 1.702 381 1HB LEU 45 HB1 LEU 45 -34.153 5.800 1.388 382 2HB LEU 45 HB2 LEU 45 -33.248 4.742 2.448 383 HG LEU 45 HG LEU 45 -34.813 5.817 3.881 384 1HD1 LEU 45 HD11 LEU 45 -36.872 6.587 3.282 385 2HD1 LEU 45 HD12 LEU 45 -37.329 5.078 2.508 386 3HD1 LEU 45 HD13 LEU 45 -36.361 6.254 1.636 387 1HD2 LEU 45 HD21 LEU 45 -36.233 3.221 3.210 388 2HD2 LEU 45 HD22 LEU 45 -36.094 4.010 4.774 389 3HD2 LEU 45 HD23 LEU 45 -34.680 3.271 4.034 390 H THR 46 HN THR 46 -35.379 5.362 -0.589 391 HA THR 46 HA THR 46 -38.176 5.373 -0.111 392 HB THR 46 HB THR 46 -36.783 5.853 -2.814 393 HG1 THR 46 HG1 THR 46 -36.191 6.874 -0.554 394 1HG2 THR 46 HG21 THR 46 -38.636 7.359 -3.217 395 2HG2 THR 46 HG22 THR 46 -39.086 7.385 -1.515 396 3HG2 THR 46 HG23 THR 46 -39.421 5.959 -2.492 397 H LYS 47 HN LYS 47 -36.175 3.303 -2.127 398 HA LYS 47 HA LYS 47 -38.343 2.071 -3.551 399 1HB LYS 47 HB1 LYS 47 -35.595 0.939 -2.820 400 2HB LYS 47 HB2 LYS 47 -35.940 1.908 -4.245 401 1HG LYS 47 HG1 LYS 47 -36.337 -0.085 -5.277 402 2HG LYS 47 HG2 LYS 47 -37.876 -0.045 -4.429 403 1HD LYS 47 HD1 LYS 47 -37.049 -2.140 -3.797 404 2HD LYS 47 HD2 LYS 47 -36.503 -1.140 -2.457 405 1HE LYS 47 HE1 LYS 47 -34.614 -2.463 -3.193 406 2HE LYS 47 HE2 LYS 47 -34.326 -0.809 -3.716 407 1HZ LYS 47 HZ1 LYS 47 -35.029 -3.164 -5.305 408 2HZ LYS 47 HZ2 LYS 47 -33.888 -1.945 -5.618 409 3HZ LYS 47 HZ3 LYS 47 -35.542 -1.637 -5.846 410 H HIS 48 HN HIS 48 -36.635 1.194 -0.561 411 HA HIS 48 HA HIS 48 -37.981 -1.281 -0.137 412 1HB HIS 48 HB1 HIS 48 -36.918 0.746 1.901 413 2HB HIS 48 HB2 HIS 48 -35.997 -0.580 1.196 414 HD1 HIS 48 HD1 HIS 48 -37.743 -2.894 1.552 415 HD2 HIS 48 HD2 HIS 48 -37.614 -0.016 4.451 416 HE1 HIS 48 HE1 HIS 48 -38.530 -3.991 3.594 417 H MET 49 HN MET 49 -38.877 2.035 0.580 418 HA MET 49 HA MET 49 -41.227 1.263 2.128 419 1HB MET 49 HB1 MET 49 -41.767 3.799 1.658 420 2HB MET 49 HB2 MET 49 -40.153 3.856 0.957 421 1HG MET 49 HG1 MET 49 -40.075 4.499 3.308 422 2HG MET 49 HG2 MET 49 -39.195 3.018 3.042 423 1HE MET 49 HE1 MET 49 -40.947 4.765 5.578 424 2HE MET 49 HE2 MET 49 -39.453 3.838 5.728 425 3HE MET 49 HE3 MET 49 -40.862 3.403 6.695 426 H LYS 50 HN LYS 50 -40.528 2.185 -1.191 427 HA LYS 50 HA LYS 50 -43.044 2.705 -2.227 428 1HB LYS 50 HB1 LYS 50 -41.157 0.748 -3.595 429 2HB LYS 50 HB2 LYS 50 -40.730 2.447 -3.432 430 1HG LYS 50 HG1 LYS 50 -43.454 1.788 -4.489 431 2HG LYS 50 HG2 LYS 50 -42.081 1.546 -5.562 432 1HD LYS 50 HD1 LYS 50 -42.245 4.120 -4.033 433 2HD LYS 50 HD2 LYS 50 -43.304 3.909 -5.422 434 1HE LYS 50 HE1 LYS 50 -41.369 3.387 -6.848 435 2HE LYS 50 HE2 LYS 50 -40.291 3.529 -5.464 436 1HZ LYS 50 HZ1 LYS 50 -41.659 5.613 -6.978 437 2HZ LYS 50 HZ2 LYS 50 -40.098 5.600 -6.308 438 3HZ LYS 50 HZ3 LYS 50 -41.447 5.870 -5.313 439 H SER 51 HN SER 51 -41.603 -0.550 -2.010 440 HA SER 51 HA SER 51 -43.875 -2.000 -2.812 441 1HB SER 51 HB1 SER 51 -42.117 -3.028 -0.556 442 2HB SER 51 HB2 SER 51 -41.418 -2.798 -2.171 443 HG SER 51 HG1 SER 51 -42.355 -4.653 -2.552 444 H LYS 52 HN LYS 52 -45.552 -3.006 -1.672 445 HA LYS 52 HA LYS 52 -46.565 -1.431 0.555 446 1HB LYS 52 HB1 LYS 52 -48.416 -3.222 0.477 447 2HB LYS 52 HB2 LYS 52 -47.525 -3.969 -0.845 448 1HG LYS 52 HG1 LYS 52 -47.727 -1.972 -2.202 449 2HG LYS 52 HG2 LYS 52 -48.404 -1.064 -0.854 450 1HD LYS 52 HD1 LYS 52 -50.311 -2.747 -0.815 451 2HD LYS 52 HD2 LYS 52 -49.679 -3.388 -2.327 452 1HE LYS 52 HE1 LYS 52 -51.399 -1.752 -2.855 453 2HE LYS 52 HE2 LYS 52 -49.840 -1.073 -3.302 454 1HZ LYS 52 HZ1 LYS 52 -51.661 -0.298 -1.172 455 2HZ LYS 52 HZ2 LYS 52 -50.639 0.658 -2.134 456 3HZ LYS 52 HZ3 LYS 52 -50.003 -0.209 -0.819 457 H ALA 53 HN ALA 53 -44.100 -2.629 1.196 458 HA ALA 53 HA ALA 53 -44.336 -5.066 2.649 459 1HB ALA 53 HB1 ALA 53 -42.511 -2.645 3.047 460 2HB ALA 53 HB2 ALA 53 -42.135 -4.103 2.134 461 3HB ALA 53 HB3 ALA 53 -42.288 -4.177 3.886 462 H HIS 54 HN HIS 54 -43.509 -2.221 4.504 463 HA HIS 54 HA HIS 54 -46.003 -2.467 6.075 464 1HB HIS 54 HB1 HIS 54 -44.735 -3.902 7.420 465 2HB HIS 54 HB2 HIS 54 -44.303 -2.360 8.148 466 HD1 HIS 54 HD1 HIS 54 -42.801 -5.179 6.560 467 HD2 HIS 54 HD2 HIS 54 -41.731 -1.262 7.045 468 HE1 HIS 54 HE1 HIS 54 -40.378 -5.111 6.204 469 H SER 55 HN SER 55 -46.427 -0.378 5.248 470 HA SER 55 HA SER 55 -45.188 1.728 6.895 471 1HB SER 55 HB1 SER 55 -43.772 1.607 4.794 472 2HB SER 55 HB2 SER 55 -44.668 3.137 4.868 473 HG SER 55 HG1 SER 55 -46.240 1.227 3.860 474 H LYS 56 HN LYS 56 -47.677 0.908 7.260 475 HA LYS 56 HA LYS 56 -49.742 1.961 5.660 476 1HB LYS 56 HB1 LYS 56 -51.130 1.784 7.661 477 2HB LYS 56 HB2 LYS 56 -49.728 1.929 8.715 478 1HG LYS 56 HG1 LYS 56 -49.436 -0.253 6.784 479 2HG LYS 56 HG2 LYS 56 -50.849 -0.463 7.810 480 1HD LYS 56 HD1 LYS 56 -48.117 0.239 8.922 481 2HD LYS 56 HD2 LYS 56 -48.658 -1.424 8.727 482 1HE LYS 56 HE1 LYS 56 -50.680 0.235 10.036 483 2HE LYS 56 HE2 LYS 56 -49.166 0.220 10.929 484 1HZ LYS 56 HZ1 LYS 56 -50.949 -1.626 11.285 485 2HZ LYS 56 HZ2 LYS 56 -49.294 -2.006 11.307 486 3HZ LYS 56 HZ3 LYS 56 -50.220 -2.318 9.917 487 H LYS 57 HN LYS 57 -47.523 3.582 7.766 488 HA LYS 57 HA LYS 57 -48.241 6.150 6.746 489 1HB LYS 57 HB1 LYS 57 -48.950 5.711 9.677 490 2HB LYS 57 HB2 LYS 57 -50.155 5.615 8.401 491 1HG LYS 57 HG1 LYS 57 -49.880 7.898 7.813 492 2HG LYS 57 HG2 LYS 57 -48.348 8.021 8.671 493 1HD LYS 57 HD1 LYS 57 -50.190 9.097 9.941 494 2HD LYS 57 HD2 LYS 57 -49.510 7.733 10.822 495 1HE LYS 57 HE1 LYS 57 -51.360 6.358 10.381 496 2HE LYS 57 HE2 LYS 57 -51.852 7.304 8.981 497 1HZ LYS 57 HZ1 LYS 57 -51.901 8.987 11.199 498 2HZ LYS 57 HZ2 LYS 57 -52.698 7.553 11.638 499 3HZ LYS 57 LYS 57 -53.213 8.428 10.277 Start of MODEL 44 Raw file had 499 H/Q atoms Start of MODEL 44 1 1H LYS 1 HT1 LYS 1 -11.948 -11.483 -7.527 2 2H LYS 1 HT2 LYS 1 -10.498 -10.762 -8.041 3 3H LYS 1 HT3 LYS 1 -11.892 -9.813 -7.836 4 HA LYS 1 HA LYS 1 -11.050 -11.316 -5.508 5 1HB LYS 1 HB1 LYS 1 -9.412 -9.296 -5.048 6 2HB LYS 1 HB2 LYS 1 -9.409 -9.101 -6.796 7 1HG LYS 1 HG1 LYS 1 -8.596 -11.378 -7.103 8 2HG LYS 1 HG2 LYS 1 -8.762 -11.712 -5.386 9 1HD LYS 1 HD1 LYS 1 -6.410 -11.210 -5.939 10 2HD LYS 1 HD2 LYS 1 -7.073 -9.977 -4.875 11 1HE LYS 1 HE1 LYS 1 -5.720 -9.234 -6.998 12 2HE LYS 1 HE2 LYS 1 -7.196 -8.377 -6.586 13 1HZ LYS 1 HZ1 LYS 1 -6.831 -9.187 -8.983 14 2HZ LYS 1 HZ2 LYS 1 -8.360 -9.383 -8.274 15 3HZ LYS 1 HZ3 LYS 1 -7.299 -10.704 -8.382 16 OH TYR 2 OH TYR 2 -7.924 -4.175 -5.959 17 H TYR 2 HN TYR 2 -12.193 -8.466 -7.182 18 HA TYR 2 HA TYR 2 -13.154 -7.279 -4.647 19 1HB TYR 2 HB1 TYR 2 -13.921 -5.424 -6.148 20 2HB TYR 2 HB2 TYR 2 -13.425 -6.367 -7.554 21 HD1 TYR 2 HD2 TYR 2 -12.161 -4.737 -4.464 22 HD2 TYR 2 HD1 TYR 2 -11.126 -6.436 -8.223 23 HE1 TYR 2 HE2 TYR 2 -9.881 -3.862 -4.234 24 HE2 TYR 2 HE1 TYR 2 -8.843 -5.571 -7.987 25 HH TYR 2 HH TYR 2 -7.323 -4.924 -5.944 26 H ILE 3 HN ILE 3 -14.474 -9.406 -4.526 27 HA ILE 3 HA ILE 3 -17.161 -8.859 -5.731 28 HB ILE 3 HB ILE 3 -15.734 -11.519 -5.255 29 1HG1 ILE 3 HG11 ILE 3 -15.713 -9.814 -7.445 30 2HG1 ILE 3 HG12 ILE 3 -16.976 -10.965 -7.863 31 1HG2 ILE 3 HG21 ILE 3 -18.054 -11.884 -4.652 32 2HG2 ILE 3 HG22 ILE 3 -17.942 -12.411 -6.326 33 3HG2 ILE 3 HG23 ILE 3 -18.633 -10.837 -5.945 34 1HD1 ILE 3 HD1 ILE 3 -15.355 -12.818 -7.218 35 2HD1 ILE 3 HD2 ILE 3 -14.106 -11.583 -7.100 36 3HD1 ILE 3 HD3 ILE 3 -14.890 -11.896 -8.646 37 H CYS 4 HN CYS 4 -18.433 -8.186 -4.086 38 HA CYS 4 HA CYS 4 -17.954 -8.562 -1.357 39 1HB CYS 4 HB1 CYS 4 -20.502 -8.185 -2.919 40 2HB CYS 4 HB2 CYS 4 -19.654 -7.010 -1.955 41 H GLU 5 HN GLU 5 -18.095 -10.205 -0.029 42 HA GLU 5 HA GLU 5 -18.713 -12.832 -0.974 43 1HB GLU 5 HB1 GLU 5 -18.411 -13.460 1.446 44 2HB GLU 5 HB2 GLU 5 -18.373 -11.750 1.858 45 1HG GLU 5 HG1 GLU 5 -16.348 -11.399 0.625 46 2HG GLU 5 HG2 GLU 5 -16.478 -12.967 -0.168 47 H GLU 6 HN GLU 6 -20.707 -10.337 0.216 48 HA GLU 6 HA GLU 6 -22.792 -12.246 1.045 49 1HB GLU 6 HB1 GLU 6 -22.867 -9.210 1.182 50 2HB GLU 6 HB2 GLU 6 -22.187 -10.205 2.463 51 1HG GLU 6 HG1 GLU 6 -24.376 -11.410 2.633 52 2HG GLU 6 HG2 GLU 6 -25.042 -10.314 1.425 53 H CYS 7 HN CYS 7 -23.033 -9.117 -0.613 54 HA CYS 7 HA CYS 7 -25.334 -9.998 -2.109 55 1HB CYS 7 HB1 CYS 7 -25.356 -7.843 -3.028 56 2HB CYS 7 HB2 CYS 7 -23.625 -7.703 -3.014 57 H GLY 8 HN GLY 8 -21.886 -9.782 -2.844 58 1HA GLY 8 HA1 GLY 8 -22.408 -11.403 -5.270 59 2HA GLY 8 HA2 GLY 8 -20.832 -11.141 -4.535 60 H ILE 9 HN ILE 9 -21.920 -8.168 -4.423 61 HA ILE 9 HA ILE 9 -22.156 -7.168 -7.020 62 HB ILE 9 HB ILE 9 -22.251 -5.957 -4.684 63 1HG1 ILE 9 HG11 ILE 9 -21.325 -4.883 -7.320 64 2HG1 ILE 9 HG12 ILE 9 -21.306 -3.799 -5.933 65 1HG2 ILE 9 HG21 ILE 9 -20.210 -4.919 -3.952 66 2HG2 ILE 9 HG22 ILE 9 -19.388 -5.245 -5.464 67 3HG2 ILE 9 HG23 ILE 9 -19.717 -6.551 -4.338 68 1HD1 ILE 9 HD1 ILE 9 -23.658 -4.132 -5.533 69 2HD1 ILE 9 HD2 ILE 9 -23.727 -5.464 -6.682 70 3HD1 ILE 9 HD3 ILE 9 -23.484 -3.819 -7.258 71 NH1 ARG 10 NH1 ARG 10 -18.461 -10.785 -14.302 72 NH2 ARG 10 NH2 ARG 10 -20.484 -10.626 -13.253 73 H ARG 10 HN ARG 10 -20.781 -6.746 -8.668 74 HA ARG 10 HA ARG 10 -17.939 -7.576 -8.259 75 1HB ARG 10 HB1 ARG 10 -19.476 -7.357 -10.885 76 2HB ARG 10 HB2 ARG 10 -19.439 -8.831 -9.928 77 1HG ARG 10 HG1 ARG 10 -16.825 -8.518 -10.028 78 2HG ARG 10 HG2 ARG 10 -17.184 -7.475 -11.398 79 1HD ARG 10 HD1 ARG 10 -18.011 -10.380 -11.084 80 2HD ARG 10 HD2 ARG 10 -16.801 -9.753 -12.202 81 HE ARG 10 HE ARG 10 -19.150 -8.350 -12.795 82 1HH1 ARG 10 HH11 ARG 10 -17.522 -10.458 -14.405 83 2HH1 ARG 10 HH12 ARG 10 -18.795 -11.535 -14.874 84 1HH2 ARG 10 HH21 ARG 10 -21.061 -10.179 -12.569 85 2HH2 ARG 10 HH22 ARG 10 -20.851 -11.374 -13.807 86 H ABA 11 HN ABU 11 -16.691 -5.862 -7.969 87 HA ABA 11 HA ABU 11 -16.982 -3.580 -9.882 88 1HB ABA 11 HB1 ABU 11 -16.440 -2.035 -8.047 89 2HB ABA 11 HB2 ABU 11 -16.195 -3.372 -6.941 90 1HG ABA 11 HG1 ABU 11 -18.812 -2.552 -8.234 91 2HG ABA 11 HG2 ABU 11 -18.405 -2.451 -6.524 92 3HG ABA 11 HG3 ABU 11 -18.606 -4.021 -7.291 93 H LYS 12 HN LYS 12 -15.282 -4.083 -11.168 94 HA LYS 12 HA LYS 12 -12.822 -5.189 -10.353 95 1HB LYS 12 HB1 LYS 12 -11.973 -4.211 -12.540 96 2HB LYS 12 HB2 LYS 12 -13.492 -3.335 -12.682 97 1HG LYS 12 HG1 LYS 12 -14.398 -5.169 -13.641 98 2HG LYS 12 HG2 LYS 12 -14.211 -6.007 -12.106 99 1HD LYS 12 HD1 LYS 12 -11.813 -6.522 -12.806 100 2HD LYS 12 HD2 LYS 12 -12.234 -5.912 -14.404 101 1HE LYS 12 HE1 LYS 12 -12.925 -8.034 -14.837 102 2HE LYS 12 HE2 LYS 12 -14.330 -7.632 -13.857 103 1HZ LYS 12 HZ1 LYS 12 -11.871 -8.590 -12.562 104 2HZ LYS 12 HZ2 LYS 12 -12.930 -9.701 -13.290 105 3HZ LYS 12 HZ3 LYS 12 -13.482 -8.702 -12.032 106 H LYS 13 HN LYS 13 -14.013 -2.309 -9.331 107 HA LYS 13 HA LYS 13 -11.304 -1.083 -9.147 108 1HB LYS 13 HB1 LYS 13 -12.660 1.061 -8.706 109 2HB LYS 13 HB2 LYS 13 -14.087 0.133 -9.150 110 1HG LYS 13 HG1 LYS 13 -13.185 -0.311 -11.362 111 2HG LYS 13 HG2 LYS 13 -11.649 0.432 -10.928 112 1HD LYS 13 HD1 LYS 13 -12.633 2.607 -10.772 113 2HD LYS 13 HD2 LYS 13 -14.265 1.949 -10.792 114 1HE LYS 13 HE1 LYS 13 -13.721 2.868 -12.999 115 2HE LYS 13 HE2 LYS 13 -13.876 1.120 -13.109 116 1HZ LYS 13 HZ1 LYS 13 -11.215 1.967 -12.478 117 2HZ LYS 13 HZ2 LYS 13 -11.763 2.583 -13.963 118 3HZ LYS 13 HZ3 LYS 13 -11.759 0.907 -13.688 119 HA PRO 14 HA PRO 14 -11.606 -1.842 -4.739 120 1HB PRO 14 HB1 PRO 14 -9.438 -1.293 -4.173 121 2HB PRO 14 HB2 PRO 14 -9.952 0.384 -3.982 122 1HG PRO 14 HG1 PRO 14 -8.209 -0.626 -5.994 123 2HG PRO 14 HG2 PRO 14 -8.920 0.989 -5.942 124 1HD PRO 14 HD1 PRO 14 -10.142 0.428 -7.796 125 2HD PRO 14 HD2 PRO 14 -9.594 -1.257 -7.684 126 H SER 15 HN SER 15 -11.187 1.673 -5.187 127 HA SER 15 HA SER 15 -12.662 2.715 -3.162 128 1HB SER 15 HB1 SER 15 -11.651 3.999 -5.155 129 2HB SER 15 HB2 SER 15 -13.242 4.609 -4.657 130 HG SER 15 HG1 SER 15 -12.941 4.061 -6.973 131 H MET 16 HN MET 16 -14.053 1.251 -6.059 132 HA MET 16 HA MET 16 -16.779 1.834 -5.293 133 1HB MET 16 HB1 MET 16 -17.210 -0.080 -7.025 134 2HB MET 16 HB2 MET 16 -15.467 -0.066 -7.269 135 1HG MET 16 HG1 MET 16 -16.509 1.392 -8.898 136 2HG MET 16 HG2 MET 16 -15.557 2.336 -7.783 137 1HE MET 16 HE1 MET 16 -18.876 1.099 -8.904 138 2HE MET 16 HE2 MET 16 -18.597 2.554 -9.860 139 3HE MET 16 HE3 MET 16 -19.950 2.486 -8.730 140 H LEU 17 HN LEU 17 -14.809 -1.162 -5.187 141 HA LEU 17 HA LEU 17 -16.855 -2.611 -3.765 142 1HB LEU 17 HB1 LEU 17 -13.890 -3.249 -3.626 143 2HB LEU 17 HB2 LEU 17 -14.769 -3.507 -5.115 144 HG LEU 17 HG LEU 17 -14.655 -5.577 -3.717 145 1HD1 LEU 17 HD11 LEU 17 -15.650 -5.740 -1.576 146 2HD1 LEU 17 HD12 LEU 17 -16.496 -4.212 -1.743 147 3HD1 LEU 17 HD13 LEU 17 -14.753 -4.229 -1.525 148 1HD2 LEU 17 HD21 LEU 17 -17.558 -4.810 -3.624 149 2HD2 LEU 17 HD22 LEU 17 -16.800 -6.271 -4.237 150 3HD2 LEU 17 HD23 LEU 17 -16.746 -4.791 -5.178 151 H LYS 18 HN LYS 18 -13.664 -1.405 -2.726 152 HA LYS 18 HA LYS 18 -13.694 -1.824 -0.040 153 1HB LYS 18 HB1 LYS 18 -12.580 0.473 0.202 154 2HB LYS 18 HB2 LYS 18 -12.996 0.786 -1.476 155 1HG LYS 18 HG1 LYS 18 -11.322 -0.548 -2.254 156 2HG LYS 18 HG2 LYS 18 -11.650 -1.807 -1.079 157 1HD LYS 18 HD1 LYS 18 -9.423 -0.825 -0.688 158 2HD LYS 18 HD2 LYS 18 -10.492 -0.476 0.666 159 1HE LYS 18 HE1 LYS 18 -10.636 1.776 0.149 160 2HE LYS 18 HE2 LYS 18 -10.436 1.502 -1.576 161 1HZ LYS 18 HZ1 LYS 18 -8.072 0.805 -0.926 162 2HZ LYS 18 HZ2 LYS 18 -8.379 1.634 0.524 163 3HZ LYS 18 HZ3 LYS 18 -8.454 2.460 -0.957 164 H LYS 19 HN LYS 19 -15.462 0.795 -1.651 165 HA LYS 19 HA LYS 19 -16.596 1.791 0.787 166 1HB LYS 19 HB1 LYS 19 -18.318 2.759 -0.981 167 2HB LYS 19 HB2 LYS 19 -17.199 2.101 -2.169 168 1HG LYS 19 HG1 LYS 19 -15.361 3.409 -1.199 169 2HG LYS 19 HG2 LYS 19 -16.435 4.024 0.052 170 1HD LYS 19 HD1 LYS 19 -17.846 5.090 -1.667 171 2HD LYS 19 HD2 LYS 19 -16.805 4.449 -2.933 172 1HE LYS 19 HE1 LYS 19 -14.878 5.683 -1.874 173 2HE LYS 19 HE2 LYS 19 -16.026 6.427 -0.769 174 1HZ LYS 19 HZ1 LYS 19 -15.901 7.971 -2.428 175 2HZ LYS 19 HZ2 LYS 19 -17.238 7.062 -2.949 176 3HZ LYS 19 HZ3 LYS 19 -15.715 6.816 -3.660 177 H HIS 20 HN HIS 20 -17.700 -0.416 -1.729 178 HA HIS 20 HA HIS 20 -20.341 -0.809 -0.803 179 1HB HIS 20 HB1 HIS 20 -18.443 -2.782 -2.133 180 2HB HIS 20 HB2 HIS 20 -19.526 -1.688 -2.987 181 HD1 HIS 20 HD1 HIS 20 -21.759 -2.726 -3.386 182 HD2 HIS 20 HD2 HIS 20 -19.807 -4.654 -0.385 183 HE1 HIS 20 HE1 HIS 20 -23.205 -4.600 -2.763 184 H ILE 21 HN ILE 21 -17.425 -2.765 -0.155 185 HA ILE 21 HA ILE 21 -18.675 -4.550 1.646 186 HB ILE 21 HB ILE 21 -16.171 -4.428 0.631 187 1HG1 ILE 21 HG11 ILE 21 -17.012 -5.675 3.272 188 2HG1 ILE 21 HG12 ILE 21 -15.502 -6.062 2.460 189 1HG2 ILE 21 HG21 ILE 21 -15.725 -3.617 3.542 190 2HG2 ILE 21 HG22 ILE 21 -15.727 -2.428 2.254 191 3HG2 ILE 21 HG23 ILE 21 -14.537 -3.708 2.249 192 1HD1 ILE 21 HD1 ILE 21 -16.606 -7.555 1.173 193 2HD1 ILE 21 HD2 ILE 21 -17.572 -6.249 0.499 194 3HD1 ILE 21 HD3 ILE 21 -18.130 -7.107 1.929 195 NH1 ARG 22 NH2 ARG 22 -14.709 1.201 7.289 196 NH2 ARG 22 NH1 ARG 22 -16.931 1.712 7.440 197 H ARG 22 HN ARG 22 -17.516 -1.288 2.126 198 HA ARG 22 HA ARG 22 -17.706 -1.450 5.038 199 1HB ARG 22 HB1 ARG 22 -17.690 1.171 4.697 200 2HB ARG 22 HB2 ARG 22 -17.398 0.797 3.004 201 1HG ARG 22 HG1 ARG 22 -15.344 -0.340 3.511 202 2HG ARG 22 HG2 ARG 22 -15.697 -0.364 5.235 203 1HD ARG 22 HD1 ARG 22 -15.215 2.137 3.582 204 2HD ARG 22 HD2 ARG 22 -14.062 1.411 4.700 205 HE ARG 22 HE ARG 22 -16.123 3.183 5.480 206 1HH1 ARG 22 HH21 ARG 22 -13.857 1.231 6.767 207 2HH1 ARG 22 HH22 ARG 22 -14.727 0.768 8.190 208 1HH2 ARG 22 HH11 ARG 22 -17.744 2.125 7.029 209 2HH2 ARG 22 HH12 ARG 22 -16.987 1.287 8.343 210 H THR 23 HN THR 23 -19.969 -1.072 2.501 211 HA THR 23 HA THR 23 -21.873 0.467 4.071 212 HB THR 23 HB THR 23 -22.468 -1.353 1.650 213 HG1 THR 23 HG1 THR 23 -20.858 0.754 1.959 214 1HG2 THR 23 HG21 THR 23 -23.890 0.996 1.345 215 2HG2 THR 23 HG22 THR 23 -23.887 0.897 3.101 216 3HG2 THR 23 HG23 THR 23 -24.584 -0.405 2.149 217 H HIS 24 HN HIS 24 -20.778 -2.657 4.381 218 HA HIS 24 HA HIS 24 -23.403 -3.739 5.290 219 1HB HIS 24 HB1 HIS 24 -21.855 -5.813 5.755 220 2HB HIS 24 HB2 HIS 24 -20.631 -4.929 4.852 221 HD1 HIS 24 HD1 HIS 24 -24.168 -6.077 4.257 222 HD2 HIS 24 HD2 HIS 24 -20.747 -5.345 2.163 223 HE1 HIS 24 HE1 HIS 24 -24.623 -6.829 1.940 224 H THR 25 HN THR 25 -21.189 -1.782 6.604 225 HA THR 25 HA THR 25 -20.925 -3.182 9.194 226 HB THR 25 HB THR 25 -19.764 -0.830 9.711 227 HG1 THR 25 HG1 THR 25 -20.897 -0.455 7.418 228 1HG2 THR 25 HG21 THR 25 -18.219 -2.652 9.301 229 2HG2 THR 25 HG22 THR 25 -17.828 -1.491 8.035 230 3HG2 THR 25 HG23 THR 25 -18.831 -2.891 7.667 231 H ASP 26 HN ASP 26 -21.335 0.235 9.111 232 HA ASP 26 HA ASP 26 -24.136 0.132 9.936 233 1HB ASP 26 HB1 ASP 26 -23.519 1.330 12.155 234 2HB ASP 26 HB2 ASP 26 -21.867 0.792 11.866 235 H VAL 27 HN VAL 27 -22.269 1.359 8.015 236 HA VAL 27 HA VAL 27 -22.569 4.234 8.661 237 HB VAL 27 HB VAL 27 -20.387 3.496 7.827 238 1HG1 VAL 27 HG11 VAL 27 -21.034 1.442 6.727 239 2HG1 VAL 27 HG12 VAL 27 -20.216 2.457 5.546 240 3HG1 VAL 27 HG13 VAL 27 -21.971 2.326 5.527 241 1HG2 VAL 27 HG21 VAL 27 -21.261 4.661 5.278 242 2HG2 VAL 27 HG22 VAL 27 -20.128 5.299 6.465 243 3HG2 VAL 27 HG23 VAL 27 -21.858 5.548 6.677 244 NH1 ARG 28 NH2 ARG 28 -27.013 -2.197 6.586 245 NH2 ARG 28 NH1 ARG 28 -24.819 -2.719 6.952 246 H ARG 28 HN ARG 28 -24.948 3.041 8.288 247 HA ARG 28 HA ARG 28 -25.859 4.085 5.647 248 1HB ARG 28 HB1 ARG 28 -27.653 2.218 5.925 249 2HB ARG 28 HB2 ARG 28 -26.585 1.559 7.157 250 1HG ARG 28 HG1 ARG 28 -24.729 1.657 5.396 251 2HG ARG 28 HG2 ARG 28 -25.998 1.950 4.217 252 1HD ARG 28 HD1 ARG 28 -25.704 -0.415 4.207 253 2HD ARG 28 HD2 ARG 28 -27.142 -0.154 5.192 254 HE ARG 28 HE ARG 28 -24.712 -0.184 6.789 255 1HH1 ARG 28 HH21 ARG 28 -27.699 -1.521 6.317 256 2HH1 ARG 28 HH22 ARG 28 -27.296 -3.124 6.835 257 1HH2 ARG 28 HH11 ARG 28 -23.861 -2.434 6.958 258 2HH2 ARG 28 HH12 ARG 28 -25.064 -3.654 7.208 259 HA PRO 29 HA PRO 29 -27.960 6.253 9.208 260 1HB PRO 29 HB1 PRO 29 -27.465 8.460 8.819 261 2HB PRO 29 HB2 PRO 29 -28.344 8.443 7.288 262 1HG PRO 29 HG1 PRO 29 -25.447 8.235 7.741 263 2HG PRO 29 HG2 PRO 29 -26.307 8.492 6.223 264 1HD PRO 29 HD1 PRO 29 -26.089 6.301 5.654 265 2HD PRO 29 HD2 PRO 29 -25.032 6.085 7.061 266 OH TYR 30 OH TYR 30 -29.163 10.455 2.621 267 H TYR 30 HN TYR 30 -28.908 5.343 6.037 268 HA TYR 30 HA TYR 30 -31.696 6.252 6.461 269 1HB TYR 30 HB1 TYR 30 -32.056 5.274 4.171 270 2HB TYR 30 HB2 TYR 30 -30.416 4.653 4.184 271 HD1 TYR 30 HD1 TYR 30 -32.195 7.897 4.800 272 HD2 TYR 30 HD2 TYR 30 -28.786 5.978 3.131 273 HE1 TYR 30 HE1 TYR 30 -31.380 10.055 3.969 274 HE2 TYR 30 HE2 TYR 30 -27.970 8.136 2.313 275 HH TYR 30 HH TYR 30 -28.631 10.292 1.838 276 H HIS 31 HN HIS 31 -32.171 4.951 8.314 277 HA HIS 31 HA HIS 31 -32.265 2.008 7.858 278 1HB HIS 31 HB1 HIS 31 -32.804 1.947 10.327 279 2HB HIS 31 HB2 HIS 31 -32.732 3.706 10.356 280 HD1 HIS 31 HD1 HIS 31 -30.597 0.831 10.468 281 HD2 HIS 31 HD2 HIS 31 -30.097 4.792 9.745 282 HE1 HIS 31 HE1 HIS 31 -28.208 1.207 10.680 283 H CYS 32 HN CYS 32 -34.162 0.836 7.865 284 HA CYS 32 HA CYS 32 -36.567 2.222 7.110 285 1HB CYS 32 HB1 CYS 32 -35.885 -0.625 7.904 286 2HB CYS 32 HB2 CYS 32 -36.340 -0.026 6.331 287 H THR 33 HN THR 33 -38.528 2.421 8.272 288 HA THR 33 HA THR 33 -38.107 2.916 11.125 289 HB THR 33 HB THR 33 -40.666 3.101 9.416 290 HG1 THR 33 HG1 THR 33 -38.415 4.411 9.363 291 1HG2 THR 33 HG21 THR 33 -39.861 4.002 12.221 292 2HG2 THR 33 HG22 THR 33 -41.395 3.306 11.710 293 3HG2 THR 33 HG23 THR 33 -41.003 4.970 11.295 294 OH TYR 34 OH TYR 34 -44.680 2.227 9.468 295 H TYR 34 HN TYR 34 -38.291 0.130 9.739 296 HA TYR 34 HA TYR 34 -39.886 -1.067 11.943 297 1HB TYR 34 HB1 TYR 34 -41.010 -2.603 10.347 298 2HB TYR 34 HB2 TYR 34 -40.146 -1.870 9.001 299 HD1 TYR 34 HD2 TYR 34 -40.640 0.510 8.370 300 HD2 TYR 34 HD1 TYR 34 -42.949 -1.536 11.298 301 HE1 TYR 34 HE2 TYR 34 -42.411 2.188 8.144 302 HE2 TYR 34 HE1 TYR 34 -44.722 0.144 11.068 303 HH TYR 34 HH TYR 34 -44.307 3.081 9.696 304 H CYS 35 HN CYS 35 -38.213 -2.171 9.008 305 HA CYS 35 HA CYS 35 -37.090 -4.485 10.286 306 1HB CYS 35 HB1 CYS 35 -35.781 -4.707 8.248 307 2HB CYS 35 HB2 CYS 35 -35.987 -3.022 7.866 308 H ASN 36 HN ASN 36 -34.607 -4.781 9.959 309 HA ASN 36 HA ASN 36 -33.300 -2.588 11.508 310 1HB ASN 36 HB1 ASN 36 -32.470 -5.520 11.168 311 2HB ASN 36 HB2 ASN 36 -33.392 -4.913 12.541 312 1HD2 ASN 36 HD21 ASN 36 -32.273 -2.960 13.697 313 2HD2 ASN 36 HD22 ASN 36 -30.587 -3.054 13.874 314 H PHE 37 HN PHE 37 -33.714 -3.373 8.481 315 HA PHE 37 HA PHE 37 -30.929 -3.449 7.557 316 1HB PHE 37 HB1 PHE 37 -33.224 -2.904 5.694 317 2HB PHE 37 HB2 PHE 37 -33.220 -4.465 6.514 318 HD1 PHE 37 HD2 PHE 37 -31.059 -5.876 6.367 319 HD2 PHE 37 HD1 PHE 37 -31.821 -2.537 3.840 320 HE1 PHE 37 HE2 PHE 37 -29.377 -6.695 4.775 321 HE2 PHE 37 HE1 PHE 37 -30.138 -3.360 2.249 322 HZ PHE 37 HZ PHE 37 -28.915 -5.438 2.717 323 H SER 38 HN SER 38 -30.082 -1.850 6.103 324 HA SER 38 HA SER 38 -31.450 0.752 6.092 325 1HB SER 38 HB1 SER 38 -28.614 0.487 7.181 326 2HB SER 38 HB2 SER 38 -30.034 0.577 8.230 327 HG SER 38 HG1 SER 38 -30.323 2.596 7.692 328 H PHE 39 HN PHE 39 -30.092 2.376 4.872 329 HA PHE 39 HA PHE 39 -28.447 1.026 2.785 330 1HB PHE 39 HB1 PHE 39 -29.722 2.127 1.056 331 2HB PHE 39 HB2 PHE 39 -30.506 3.192 2.223 332 HD1 PHE 39 HD2 PHE 39 -32.183 2.254 3.825 333 HD2 PHE 39 HD1 PHE 39 -30.552 -0.125 0.694 334 HE1 PHE 39 HE2 PHE 39 -33.940 0.579 4.183 335 HE2 PHE 39 HE1 PHE 39 -32.326 -1.788 1.042 336 HZ PHE 39 HZ PHE 39 -34.023 -1.435 2.786 337 H LYS 40 HN LYS 40 -27.050 2.459 1.625 338 HA LYS 40 HA LYS 40 -26.011 4.595 3.360 339 1HB LYS 40 HB1 LYS 40 -25.094 3.327 0.734 340 2HB LYS 40 HB2 LYS 40 -24.423 3.041 2.323 341 1HG LYS 40 HG1 LYS 40 -24.276 5.646 0.765 342 2HG LYS 40 HG2 LYS 40 -22.949 4.543 1.084 343 1HD LYS 40 HD1 LYS 40 -23.586 4.898 3.595 344 2HD LYS 40 HD2 LYS 40 -24.390 6.346 3.015 345 1HE LYS 40 HE1 LYS 40 -21.488 5.719 3.156 346 2HE LYS 40 HE2 LYS 40 -22.308 7.265 3.322 347 1HZ LYS 40 HZ1 LYS 40 -22.767 7.007 0.833 348 2HZ LYS 40 HZ2 LYS 40 -21.523 5.850 0.862 349 3HZ LYS 40 HZ3 LYS 40 -21.203 7.453 1.325 350 H THR 41 HN THR 41 -28.135 4.280 0.761 351 HA THR 41 HA THR 41 -27.898 7.200 0.165 352 HB THR 41 HB THR 41 -28.314 6.728 -2.168 353 HG1 THR 41 HG1 THR 41 -30.074 5.409 -1.872 354 1HG2 THR 41 HG21 THR 41 -26.674 5.048 -2.767 355 2HG2 THR 41 HG22 THR 41 -27.040 4.072 -1.348 356 3HG2 THR 41 HG23 THR 41 -26.115 5.561 -1.179 357 H LYS 42 HN LYS 42 -29.858 8.246 -0.458 358 HA LYS 42 HA LYS 42 -32.100 7.305 1.128 359 1HB LYS 42 HB1 LYS 42 -32.136 9.702 -0.730 360 2HB LYS 42 HB2 LYS 42 -31.245 9.769 0.785 361 1HG LYS 42 HG1 LYS 42 -33.179 9.571 2.087 362 2HG LYS 42 HG2 LYS 42 -34.090 8.797 0.798 363 1HD LYS 42 HD1 LYS 42 -34.492 10.822 -0.313 364 2HD LYS 42 HD2 LYS 42 -33.112 11.618 0.435 365 1HE LYS 42 HE1 LYS 42 -35.516 10.686 2.025 366 2HE LYS 42 HE2 LYS 42 -35.406 12.301 1.337 367 1HZ LYS 42 HZ1 LYS 42 -33.328 11.171 3.114 368 2HZ LYS 42 HZ2 LYS 42 -34.652 12.061 3.695 369 3HZ LYS 42 HZ3 LYS 42 -33.533 12.790 2.645 370 H GLY 43 HN GLY 43 -31.045 6.886 -2.027 371 1HA GLY 43 HA1 GLY 43 -32.112 6.117 -3.981 372 2HA GLY 43 HA2 GLY 43 -33.592 6.875 -3.394 373 H ASN 44 HN ASN 44 -31.521 4.260 -2.167 374 HA ASN 44 HA ASN 44 -33.420 2.197 -2.691 375 1HB ASN 44 HB1 ASN 44 -31.949 0.996 -0.863 376 2HB ASN 44 HB2 ASN 44 -30.971 2.459 -0.914 377 1HD2 ASN 44 HD21 ASN 44 -29.232 2.189 -2.289 378 2HD2 ASN 44 HD22 ASN 44 -29.257 1.323 -3.748 379 H LEU 45 HN LEU 45 -33.191 4.564 -0.237 380 HA LEU 45 HA LEU 45 -34.523 3.148 1.870 381 1HB LEU 45 HB1 LEU 45 -34.472 6.148 1.222 382 2HB LEU 45 HB2 LEU 45 -33.259 5.311 2.165 383 HG LEU 45 HG LEU 45 -34.706 6.384 3.747 384 1HD1 LEU 45 HD11 LEU 45 -37.237 5.052 2.896 385 2HD1 LEU 45 HD12 LEU 45 -36.661 6.346 1.861 386 3HD1 LEU 45 HD13 LEU 45 -36.975 6.655 3.561 387 1HD2 LEU 45 HD21 LEU 45 -35.353 4.569 5.108 388 2HD2 LEU 45 HD22 LEU 45 -34.097 3.888 4.082 389 3HD2 LEU 45 HD23 LEU 45 -35.788 3.557 3.739 390 H THR 46 HN THR 46 -35.762 5.558 -0.446 391 HA THR 46 HA THR 46 -38.506 5.174 0.274 392 HB THR 46 HB THR 46 -37.463 6.033 -2.488 393 HG1 THR 46 HG1 THR 46 -37.966 7.725 -0.295 394 1HG2 THR 46 HG21 THR 46 -39.961 5.941 -2.252 395 2HG2 THR 46 HG22 THR 46 -39.445 7.625 -2.229 396 3HG2 THR 46 HG23 THR 46 -39.861 6.810 -0.724 397 H LYS 47 HN LYS 47 -36.382 3.561 -2.003 398 HA LYS 47 HA LYS 47 -38.378 2.164 -3.484 399 1HB LYS 47 HB1 LYS 47 -35.583 1.185 -2.717 400 2HB LYS 47 HB2 LYS 47 -35.906 2.289 -4.049 401 1HG LYS 47 HG1 LYS 47 -37.680 0.026 -4.257 402 2HG LYS 47 HG2 LYS 47 -36.027 -0.554 -4.087 403 1HD LYS 47 HD1 LYS 47 -35.326 0.982 -5.920 404 2HD LYS 47 HD2 LYS 47 -36.998 1.494 -6.108 405 1HE LYS 47 HE1 LYS 47 -37.057 -0.203 -7.650 406 2HE LYS 47 HE2 LYS 47 -37.317 -1.203 -6.227 407 1HZ LYS 47 HZ1 LYS 47 -34.894 -1.513 -6.104 408 2HZ LYS 47 HZ2 LYS 47 -34.728 -0.660 -7.564 409 3HZ LYS 47 HZ3 LYS 47 -35.572 -2.134 -7.531 410 H HIS 48 HN HIS 48 -36.845 1.469 -0.385 411 HA HIS 48 HA HIS 48 -38.115 -1.166 -0.210 412 1HB HIS 48 HB1 HIS 48 -36.568 0.552 1.794 413 2HB HIS 48 HB2 HIS 48 -35.978 -0.869 0.939 414 HD1 HIS 48 HD1 HIS 48 -37.483 -3.071 1.581 415 HD2 HIS 48 HD2 HIS 48 -37.592 -0.014 4.295 416 HE1 HIS 48 HE1 HIS 48 -38.303 -4.075 3.655 417 H MET 49 HN MET 49 -38.770 2.089 0.886 418 HA MET 49 HA MET 49 -40.900 1.245 2.703 419 1HB MET 49 HB1 MET 49 -41.374 3.751 2.742 420 2HB MET 49 HB2 MET 49 -40.099 3.959 1.547 421 1HG MET 49 HG1 MET 49 -39.293 4.343 3.850 422 2HG MET 49 HG2 MET 49 -38.453 3.042 3.049 423 1HE MET 49 HE1 MET 49 -41.070 4.065 5.693 424 2HE MET 49 HE2 MET 49 -39.388 4.253 6.189 425 3HE MET 49 HE3 MET 49 -40.430 3.103 7.025 426 H LYS 50 HN LYS 50 -40.621 2.228 -0.629 427 HA LYS 50 HA LYS 50 -43.379 2.849 -1.088 428 1HB LYS 50 HB1 LYS 50 -41.444 1.602 -3.096 429 2HB LYS 50 HB2 LYS 50 -41.353 3.298 -2.633 430 1HG LYS 50 HG1 LYS 50 -44.005 2.194 -3.505 431 2HG LYS 50 HG2 LYS 50 -42.797 2.545 -4.735 432 1HD LYS 50 HD1 LYS 50 -42.834 4.827 -4.316 433 2HD LYS 50 HD2 LYS 50 -43.293 4.616 -2.630 434 1HE LYS 50 HE1 LYS 50 -45.122 4.047 -4.985 435 2HE LYS 50 HE2 LYS 50 -45.153 5.531 -4.043 436 1HZ LYS 50 HZ1 LYS 50 -45.361 3.832 -2.078 437 2HZ LYS 50 HZ2 LYS 50 -46.002 2.838 -3.297 438 3HZ LYS 50 HZ3 LYS 50 -46.723 4.338 -2.958 439 H SER 51 HN SER 51 -41.526 -0.147 -1.572 440 HA SER 51 HA SER 51 -43.469 -1.798 -2.650 441 1HB SER 51 HB1 SER 51 -41.062 -2.432 -1.940 442 2HB SER 51 HB2 SER 51 -42.275 -3.666 -1.552 443 HG SER 51 HG1 SER 51 -40.727 -2.553 0.155 444 H LYS 52 HN LYS 52 -44.907 -3.369 -1.668 445 HA LYS 52 HA LYS 52 -46.625 -2.128 0.300 446 1HB LYS 52 HB1 LYS 52 -47.490 -4.730 0.189 447 2HB LYS 52 HB2 LYS 52 -46.563 -4.658 -1.304 448 1HG LYS 52 HG1 LYS 52 -48.733 -2.678 -0.525 449 2HG LYS 52 HG2 LYS 52 -48.956 -4.022 -1.637 450 1HD LYS 52 HD1 LYS 52 -47.212 -3.100 -3.123 451 2HD LYS 52 HD2 LYS 52 -46.955 -1.765 -2.006 452 1HE LYS 52 HE1 LYS 52 -49.000 -0.768 -2.509 453 2HE LYS 52 HE2 LYS 52 -49.734 -2.286 -3.012 454 1HZ LYS 52 HZ1 LYS 52 -49.064 -1.992 -5.092 455 2HZ LYS 52 HZ2 LYS 52 -47.494 -1.538 -4.633 456 3HZ LYS 52 HZ3 LYS 52 -48.737 -0.382 -4.661 457 H ALA 53 HN ALA 53 -43.730 -3.227 0.849 458 HA ALA 53 HA ALA 53 -43.675 -5.266 2.702 459 1HB ALA 53 HB1 ALA 53 -42.296 -2.541 2.842 460 2HB ALA 53 HB2 ALA 53 -41.648 -4.011 2.120 461 3HB ALA 53 HB3 ALA 53 -41.855 -3.905 3.865 462 H HIS 54 HN HIS 54 -43.418 -2.133 4.232 463 HA HIS 54 HA HIS 54 -45.924 -2.507 5.694 464 1HB HIS 54 HB1 HIS 54 -44.730 -3.798 7.210 465 2HB HIS 54 HB2 HIS 54 -44.342 -2.213 7.865 466 HD1 HIS 54 HD1 HIS 54 -42.776 -5.099 6.434 467 HD2 HIS 54 HD2 HIS 54 -41.716 -1.175 6.894 468 HE1 HIS 54 HE1 HIS 54 -40.347 -5.040 6.146 469 H SER 55 HN SER 55 -46.526 -0.511 4.961 470 HA SER 55 HA SER 55 -45.176 1.766 6.326 471 1HB SER 55 HB1 SER 55 -45.997 1.653 3.369 472 2HB SER 55 HB2 SER 55 -44.344 1.818 3.994 473 HG SER 55 HG1 SER 55 -44.721 3.855 4.299 474 H LYS 56 HN LYS 56 -47.592 0.324 6.942 475 HA LYS 56 HA LYS 56 -49.828 1.994 6.059 476 1HB LYS 56 HB1 LYS 56 -51.181 0.451 7.261 477 2HB LYS 56 HB2 LYS 56 -49.914 0.105 8.432 478 1HG LYS 56 HG1 LYS 56 -48.647 -1.148 6.789 479 2HG LYS 56 HG2 LYS 56 -49.736 -0.652 5.499 480 1HD LYS 56 HD1 LYS 56 -51.592 -1.859 6.577 481 2HD LYS 56 HD2 LYS 56 -50.538 -2.318 7.909 482 1HE LYS 56 HE1 LYS 56 -49.015 -3.358 6.087 483 2HE LYS 56 HE2 LYS 56 -50.412 -3.216 5.028 484 1HZ LYS 56 HZ1 LYS 56 -51.666 -4.432 6.830 485 2HZ LYS 56 HZ2 LYS 56 -50.153 -4.799 7.507 486 3HZ LYS 56 HZ3 LYS 56 -50.536 -5.341 5.944 487 H LYS 57 HN LYS 57 -48.152 3.768 7.060 488 HA LYS 57 HA LYS 57 -48.132 4.269 9.817 489 1HB LYS 57 HB1 LYS 57 -48.410 6.368 7.618 490 2HB LYS 57 HB2 LYS 57 -46.891 5.568 8.009 491 1HG LYS 57 HG1 LYS 57 -47.062 6.405 10.341 492 2HG LYS 57 HG2 LYS 57 -48.564 7.224 9.930 493 1HD LYS 57 HD1 LYS 57 -47.014 8.216 7.967 494 2HD LYS 57 HD2 LYS 57 -45.761 7.908 9.165 495 1HE LYS 57 HE1 LYS 57 -48.263 9.583 9.543 496 2HE LYS 57 HE2 LYS 57 -46.604 10.165 9.500 497 1HZ LYS 57 HZ1 LYS 57 -46.810 9.999 11.712 498 2HZ LYS 57 HZ2 LYS 57 -46.431 8.366 11.438 499 3HZ LYS 57 LYS 57 -48.050 8.841 11.635 Start of MODEL 45 Raw file had 499 H/Q atoms Start of MODEL 45 1 1H LYS 1 HT1 LYS 1 -8.192 1.327 -10.427 2 2H LYS 1 HT2 LYS 1 -7.031 0.257 -11.052 3 3H LYS 1 HT3 LYS 1 -7.217 0.421 -9.372 4 HA LYS 1 HA LYS 1 -9.163 -0.741 -11.284 5 1HB LYS 1 HB1 LYS 1 -8.796 -2.795 -9.911 6 2HB LYS 1 HB2 LYS 1 -7.646 -1.927 -8.900 7 1HG LYS 1 HG1 LYS 1 -7.161 -1.853 -11.844 8 2HG LYS 1 HG2 LYS 1 -6.884 -3.395 -11.043 9 1HD LYS 1 HD1 LYS 1 -5.763 -0.901 -9.794 10 2HD LYS 1 HD2 LYS 1 -4.941 -1.596 -11.186 11 1HE LYS 1 HE1 LYS 1 -5.729 -3.274 -8.794 12 2HE LYS 1 HE2 LYS 1 -4.186 -2.432 -8.872 13 1HZ LYS 1 HZ1 LYS 1 -4.486 -3.737 -11.289 14 2HZ LYS 1 HZ2 LYS 1 -4.949 -4.856 -10.098 15 3HZ LYS 1 HZ3 LYS 1 -3.416 -4.127 -10.029 16 OH TYR 2 OH TYR 2 -8.237 5.890 -8.522 17 H TYR 2 HN TYR 2 -10.820 0.676 -10.656 18 HA TYR 2 HA TYR 2 -11.580 0.681 -7.788 19 1HB TYR 2 HB1 TYR 2 -13.262 2.375 -8.541 20 2HB TYR 2 HB2 TYR 2 -12.763 2.115 -10.211 21 HD1 TYR 2 HD2 TYR 2 -11.540 3.257 -6.889 22 HD2 TYR 2 HD1 TYR 2 -10.823 3.197 -11.081 23 HE1 TYR 2 HE2 TYR 2 -9.739 4.898 -6.607 24 HE2 TYR 2 HE1 TYR 2 -9.016 4.828 -10.797 25 HH TYR 2 HH TYR 2 -8.330 6.287 -7.654 26 H ILE 3 HN ILE 3 -11.825 -1.803 -9.000 27 HA ILE 3 HA ILE 3 -14.759 -2.090 -9.465 28 HB ILE 3 HB ILE 3 -12.556 -4.151 -9.917 29 1HG1 ILE 3 HG11 ILE 3 -13.328 -1.766 -11.482 30 2HG1 ILE 3 HG12 ILE 3 -13.299 -3.261 -12.410 31 1HG2 ILE 3 HG21 ILE 3 -14.273 -5.169 -11.392 32 2HG2 ILE 3 HG22 ILE 3 -15.358 -3.812 -11.110 33 3HG2 ILE 3 HG23 ILE 3 -14.970 -4.917 -9.796 34 1HD1 ILE 3 HD1 ILE 3 -11.031 -2.360 -10.606 35 2HD1 ILE 3 HD2 ILE 3 -11.078 -2.056 -12.339 36 3HD1 ILE 3 HD3 ILE 3 -11.011 -3.710 -11.737 37 H CYS 4 HN CYS 4 -15.689 -2.337 -7.455 38 HA CYS 4 HA CYS 4 -14.515 -3.431 -5.178 39 1HB CYS 4 HB1 CYS 4 -17.386 -3.591 -6.133 40 2HB CYS 4 HB2 CYS 4 -16.715 -2.443 -5.009 41 H GLU 5 HN GLU 5 -13.544 -5.276 -4.918 42 HA GLU 5 HA GLU 5 -13.742 -7.500 -6.649 43 1HB GLU 5 HB1 GLU 5 -12.599 -8.728 -4.721 44 2HB GLU 5 HB2 GLU 5 -12.819 -7.275 -3.751 45 1HG GLU 5 HG1 GLU 5 -10.814 -6.621 -4.610 46 2HG GLU 5 HG2 GLU 5 -11.716 -6.270 -6.082 47 H GLU 6 HN GLU 6 -15.804 -6.537 -4.066 48 HA GLU 6 HA GLU 6 -16.873 -9.225 -3.691 49 1HB GLU 6 HB1 GLU 6 -18.123 -6.668 -2.648 50 2HB GLU 6 HB2 GLU 6 -16.671 -7.318 -1.901 51 1HG GLU 6 HG1 GLU 6 -17.873 -9.504 -1.593 52 2HG GLU 6 HG2 GLU 6 -19.335 -8.745 -2.215 53 H CYS 7 HN CYS 7 -18.497 -6.143 -4.434 54 HA CYS 7 HA CYS 7 -20.684 -7.568 -5.734 55 1HB CYS 7 HB1 CYS 7 -21.640 -5.402 -6.066 56 2HB CYS 7 HB2 CYS 7 -20.092 -4.614 -6.003 57 H GLY 8 HN GLY 8 -18.177 -5.311 -6.831 58 1HA GLY 8 HA1 GLY 8 -18.415 -6.515 -9.558 59 2HA GLY 8 HA2 GLY 8 -16.930 -5.833 -8.905 60 H ILE 9 HN ILE 9 -18.882 -3.700 -7.707 61 HA ILE 9 HA ILE 9 -19.986 -2.251 -9.865 62 HB ILE 9 HB ILE 9 -20.273 -1.921 -7.288 63 1HG1 ILE 9 HG11 ILE 9 -21.330 -0.515 -9.054 64 2HG1 ILE 9 HG12 ILE 9 -19.912 0.524 -9.055 65 1HG2 ILE 9 HG21 ILE 9 -18.021 0.098 -7.746 66 2HG2 ILE 9 HG22 ILE 9 -17.700 -1.495 -7.074 67 3HG2 ILE 9 HG23 ILE 9 -18.746 -0.382 -6.224 68 1HD1 ILE 9 HD1 ILE 9 -20.312 1.244 -6.812 69 2HD1 ILE 9 HD2 ILE 9 -21.469 -0.051 -6.526 70 3HD1 ILE 9 HD3 ILE 9 -21.888 1.283 -7.595 71 NH1 ARG 10 NH1 ARG 10 -13.001 -1.487 -15.774 72 NH2 ARG 10 NH2 ARG 10 -13.398 -0.614 -17.848 73 H ARG 10 HN ARG 10 -19.074 -1.109 -11.450 74 HA ARG 10 HA ARG 10 -16.142 -0.604 -11.281 75 1HB ARG 10 HB1 ARG 10 -17.958 -0.312 -13.716 76 2HB ARG 10 HB2 ARG 10 -17.249 -1.855 -13.257 77 1HG ARG 10 HG1 ARG 10 -14.977 -0.639 -13.282 78 2HG ARG 10 HG2 ARG 10 -15.813 0.672 -14.106 79 1HD ARG 10 HD1 ARG 10 -16.694 -1.318 -15.644 80 2HD ARG 10 HD2 ARG 10 -15.229 -2.109 -15.065 81 HE ARG 10 HE ARG 10 -15.220 0.515 -16.508 82 1HH1 ARG 10 HH11 ARG 10 -13.305 -1.630 -14.833 83 2HH1 ARG 10 HH12 ARG 10 -12.122 -1.854 -16.076 84 1HH2 ARG 10 HH21 ARG 10 -14.000 -0.101 -18.460 85 2HH2 ARG 10 HH22 ARG 10 -12.524 -0.965 -18.184 86 H ABA 11 HN ABU 11 -15.730 1.318 -10.388 87 HA ABA 11 HA ABU 11 -17.216 3.694 -11.469 88 1HB ABA 11 HB1 ABU 11 -16.924 4.742 -9.260 89 2HB ABA 11 HB2 ABU 11 -15.998 3.373 -8.683 90 1HG ABA 11 HG1 ABU 11 -18.060 1.940 -9.191 91 2HG ABA 11 HG2 ABU 11 -18.939 3.447 -9.408 92 3HG ABA 11 HG3 ABU 11 -18.227 3.060 -7.846 93 H LYS 12 HN LYS 12 -15.785 4.421 -12.941 94 HA LYS 12 HA LYS 12 -12.969 4.328 -12.733 95 1HB LYS 12 HB1 LYS 12 -13.047 6.104 -14.525 96 2HB LYS 12 HB2 LYS 12 -14.778 6.254 -14.252 97 1HG LYS 12 HG1 LYS 12 -15.140 3.936 -14.892 98 2HG LYS 12 HG2 LYS 12 -13.410 3.646 -15.000 99 1HD LYS 12 HD1 LYS 12 -14.924 5.661 -16.705 100 2HD LYS 12 HD2 LYS 12 -14.492 4.044 -17.241 101 1HE LYS 12 HE1 LYS 12 -12.062 4.932 -16.360 102 2HE LYS 12 HE2 LYS 12 -12.776 6.444 -16.904 103 1HZ LYS 12 HZ1 LYS 12 -11.706 4.348 -18.441 104 2HZ LYS 12 HZ2 LYS 12 -12.286 5.858 -18.957 105 3HZ LYS 12 HZ3 LYS 12 -13.347 4.536 -18.835 106 H LYS 13 HN LYS 13 -14.750 5.848 -10.537 107 HA LYS 13 HA LYS 13 -12.724 8.002 -10.222 108 1HB LYS 13 HB1 LYS 13 -14.655 9.393 -9.231 109 2HB LYS 13 HB2 LYS 13 -15.739 8.167 -9.880 110 1HG LYS 13 HG1 LYS 13 -14.830 8.561 -12.149 111 2HG LYS 13 HG2 LYS 13 -13.740 9.781 -11.502 112 1HD LYS 13 HD1 LYS 13 -16.597 10.141 -10.793 113 2HD LYS 13 HD2 LYS 13 -16.216 10.347 -12.499 114 1HE LYS 13 HE1 LYS 13 -16.009 12.479 -11.212 115 2HE LYS 13 HE2 LYS 13 -14.489 11.992 -11.953 116 1HZ LYS 13 HZ1 LYS 13 -15.144 11.201 -9.191 117 2HZ LYS 13 HZ2 LYS 13 -14.480 12.727 -9.525 118 3HZ LYS 13 HZ3 LYS 13 -13.622 11.320 -9.935 119 HA PRO 14 HA PRO 14 -12.207 6.322 -6.134 120 1HB PRO 14 HB1 PRO 14 -10.457 7.665 -5.461 121 2HB PRO 14 HB2 PRO 14 -11.634 8.822 -4.837 122 1HG PRO 14 HG1 PRO 14 -9.888 9.239 -7.038 123 2HG PRO 14 HG2 PRO 14 -11.255 10.260 -6.591 124 1HD PRO 14 HD1 PRO 14 -12.262 9.613 -8.547 125 2HD PRO 14 HD2 PRO 14 -11.009 8.388 -8.825 126 H SER 15 HN SER 15 -13.421 9.632 -5.613 127 HA SER 15 HA SER 15 -14.956 9.386 -3.399 128 1HB SER 15 HB1 SER 15 -14.936 11.466 -4.768 129 2HB SER 15 HB2 SER 15 -16.625 10.987 -4.503 130 HG SER 15 HG1 SER 15 -15.325 9.770 -6.623 131 H MET 16 HN MET 16 -15.999 8.247 -6.587 132 HA MET 16 HA MET 16 -18.557 7.313 -5.650 133 1HB MET 16 HB1 MET 16 -18.352 5.883 -7.826 134 2HB MET 16 HB2 MET 16 -16.825 6.724 -8.076 135 1HG MET 16 HG1 MET 16 -18.569 7.916 -9.245 136 2HG MET 16 HG2 MET 16 -17.995 8.885 -7.914 137 1HE MET 16 HE1 MET 16 -20.897 7.540 -9.811 138 2HE MET 16 HE2 MET 16 -20.501 9.258 -9.767 139 3HE MET 16 HE3 MET 16 -22.048 8.693 -9.137 140 H LEU 17 HN LEU 17 -15.487 5.599 -6.355 141 HA LEU 17 HA LEU 17 -16.510 3.093 -5.355 142 1HB LEU 17 HB1 LEU 17 -13.566 3.850 -5.453 143 2HB LEU 17 HB2 LEU 17 -14.454 3.565 -6.935 144 HG LEU 17 HG LEU 17 -13.206 1.531 -6.079 145 1HD1 LEU 17 HD11 LEU 17 -13.900 0.384 -4.115 146 2HD1 LEU 17 HD12 LEU 17 -15.317 1.399 -3.918 147 3HD1 LEU 17 HD13 LEU 17 -13.713 2.064 -3.637 148 1HD2 LEU 17 HD21 LEU 17 -16.156 0.904 -5.978 149 2HD2 LEU 17 HD22 LEU 17 -14.853 0.003 -6.737 150 3HD2 LEU 17 HD23 LEU 17 -15.427 1.494 -7.461 151 H LYS 18 HN LYS 18 -14.035 5.315 -4.068 152 HA LYS 18 HA LYS 18 -13.503 4.322 -1.601 153 1HB LYS 18 HB1 LYS 18 -14.049 7.168 -2.500 154 2HB LYS 18 HB2 LYS 18 -12.517 6.426 -2.063 155 1HG LYS 18 HG1 LYS 18 -13.585 6.191 0.323 156 2HG LYS 18 HG2 LYS 18 -14.745 7.383 -0.241 157 1HD LYS 18 HD1 LYS 18 -11.820 7.987 -0.613 158 2HD LYS 18 HD2 LYS 18 -12.506 8.133 0.996 159 1HE LYS 18 HE1 LYS 18 -14.021 9.349 -1.274 160 2HE LYS 18 HE2 LYS 18 -12.571 10.172 -0.722 161 1HZ LYS 18 HZ1 LYS 18 -13.874 11.055 0.818 162 2HZ LYS 18 HZ2 LYS 18 -13.863 9.536 1.576 163 3HZ LYS 18 HZ3 LYS 18 -15.133 9.953 0.529 164 H LYS 19 HN LYS 19 -16.484 6.030 -2.443 165 HA LYS 19 HA LYS 19 -17.537 5.825 0.232 166 1HB LYS 19 HB1 LYS 19 -19.742 6.377 -1.090 167 2HB LYS 19 HB2 LYS 19 -18.686 6.539 -2.489 168 1HG LYS 19 HG1 LYS 19 -17.380 8.266 -1.365 169 2HG LYS 19 HG2 LYS 19 -18.292 8.039 0.122 170 1HD LYS 19 HD1 LYS 19 -20.352 8.776 -0.995 171 2HD LYS 19 HD2 LYS 19 -19.491 8.934 -2.521 172 1HE LYS 19 HE1 LYS 19 -18.003 10.388 -0.579 173 2HE LYS 19 HE2 LYS 19 -19.689 10.841 -0.371 174 1HZ LYS 19 HZ1 LYS 19 -19.676 11.076 -2.906 175 2HZ LYS 19 HZ2 LYS 19 -17.985 11.117 -2.757 176 3HZ LYS 19 HZ3 LYS 19 -18.935 12.289 -1.978 177 H HIS 20 HN HIS 20 -17.999 4.084 -2.806 178 HA HIS 20 HA HIS 20 -20.044 2.321 -1.965 179 1HB HIS 20 HB1 HIS 20 -17.714 1.849 -3.870 180 2HB HIS 20 HB2 HIS 20 -19.301 2.461 -4.329 181 HD1 HIS 20 HD1 HIS 20 -20.875 0.613 -4.934 182 HD2 HIS 20 HD2 HIS 20 -17.780 -0.815 -2.723 183 HE1 HIS 20 HE1 HIS 20 -21.190 -1.817 -4.867 184 H ILE 21 HN ILE 21 -16.519 1.774 -2.024 185 HA ILE 21 HA ILE 21 -16.599 -0.747 -0.745 186 HB ILE 21 HB ILE 21 -14.563 0.195 -1.837 187 1HG1 ILE 21 HG11 ILE 21 -14.482 -0.865 0.957 188 2HG1 ILE 21 HG12 ILE 21 -12.992 -0.197 0.315 189 1HG2 ILE 21 HG21 ILE 21 -13.245 1.922 -0.640 190 2HG2 ILE 21 HG22 ILE 21 -14.447 1.978 0.642 191 3HG2 ILE 21 HG23 ILE 21 -14.860 2.516 -0.977 192 1HD1 ILE 21 HD1 ILE 21 -13.010 -1.701 -1.545 193 2HD1 ILE 21 HD2 ILE 21 -14.673 -2.183 -1.229 194 3HD1 ILE 21 HD3 ILE 21 -13.388 -2.683 -0.134 195 NH1 ARG 22 NH1 ARG 22 -14.273 8.003 2.972 196 NH2 ARG 22 NH2 ARG 22 -12.374 7.395 4.089 197 H ARG 22 HN ARG 22 -16.704 2.510 0.587 198 HA ARG 22 HA ARG 22 -16.380 1.624 3.343 199 1HB ARG 22 HB1 ARG 22 -17.498 3.984 3.730 200 2HB ARG 22 HB2 ARG 22 -17.351 4.167 1.985 201 1HG ARG 22 HG1 ARG 22 -14.914 3.689 2.163 202 2HG ARG 22 HG2 ARG 22 -15.076 3.565 3.907 203 1HD ARG 22 HD1 ARG 22 -16.072 5.935 3.829 204 2HD ARG 22 HD2 ARG 22 -15.480 6.013 2.171 205 HE ARG 22 HE ARG 22 -13.404 5.175 4.021 206 1HH1 ARG 22 HH11 ARG 22 -15.157 7.745 2.582 207 2HH1 ARG 22 HH12 ARG 22 -13.955 8.949 2.906 208 1HH2 ARG 22 HH21 ARG 22 -11.835 6.682 4.535 209 2HH2 ARG 22 HH22 ARG 22 -12.024 8.331 4.041 210 H THR 23 HN THR 23 -18.987 1.549 1.123 211 HA THR 23 HA THR 23 -21.089 1.738 3.104 212 HB THR 23 HB THR 23 -21.180 0.397 0.329 213 HG1 THR 23 HG1 THR 23 -20.408 2.643 0.586 214 1HG2 THR 23 HG21 THR 23 -23.348 -0.008 1.252 215 2HG2 THR 23 HG22 THR 23 -23.581 1.636 0.675 216 3HG2 THR 23 HG23 THR 23 -23.228 1.341 2.374 217 H HIS 24 HN HIS 24 -19.016 -0.836 2.006 218 HA HIS 24 HA HIS 24 -20.730 -3.003 2.890 219 1HB HIS 24 HB1 HIS 24 -18.400 -4.226 2.983 220 2HB HIS 24 HB2 HIS 24 -17.749 -2.730 2.322 221 HD1 HIS 24 HD1 HIS 24 -20.280 -5.332 1.392 222 HD2 HIS 24 HD2 HIS 24 -18.072 -2.413 -0.392 223 HE1 HIS 24 HE1 HIS 24 -20.624 -5.624 -1.037 224 H THR 25 HN THR 25 -19.635 -0.564 4.648 225 HA THR 25 HA THR 25 -18.698 -2.172 6.955 226 HB THR 25 HB THR 25 -18.230 0.140 7.901 227 HG1 THR 25 HG1 THR 25 -18.701 1.818 6.316 228 1HG2 THR 25 HG21 THR 25 -16.686 0.980 6.102 229 2HG2 THR 25 HG22 THR 25 -17.449 -0.112 4.952 230 3HG2 THR 25 HG23 THR 25 -16.502 -0.760 6.288 231 H ASP 26 HN ASP 26 -20.096 0.643 7.922 232 HA ASP 26 HA ASP 26 -22.812 -0.429 8.274 233 1HB ASP 26 HB1 ASP 26 -22.563 0.179 10.812 234 2HB ASP 26 HB2 ASP 26 -20.825 0.117 10.524 235 H VAL 27 HN VAL 27 -21.520 1.687 6.867 236 HA VAL 27 HA VAL 27 -22.331 4.124 8.327 237 HB VAL 27 HB VAL 27 -20.190 4.133 7.109 238 1HG1 VAL 27 HG11 VAL 27 -20.078 3.802 4.693 239 2HG1 VAL 27 HG12 VAL 27 -21.823 3.599 4.609 240 3HG1 VAL 27 HG13 VAL 27 -20.840 2.404 5.430 241 1HG2 VAL 27 HG21 VAL 27 -21.605 5.838 5.198 242 2HG2 VAL 27 HG22 VAL 27 -20.487 6.291 6.478 243 3HG2 VAL 27 HG23 VAL 27 -22.193 6.059 6.842 244 NH1 ARG 28 NH2 ARG 28 -24.839 -2.850 4.259 245 NH2 ARG 28 NH1 ARG 28 -25.673 -2.867 6.387 246 H ARG 28 HN ARG 28 -24.503 2.576 7.807 247 HA ARG 28 HA ARG 28 -25.872 3.947 5.526 248 1HB ARG 28 HB1 ARG 28 -27.515 1.986 5.808 249 2HB ARG 28 HB2 ARG 28 -26.335 1.269 6.898 250 1HG ARG 28 HG1 ARG 28 -24.639 1.486 5.032 251 2HG ARG 28 HG2 ARG 28 -25.963 1.954 3.973 252 1HD ARG 28 HD1 ARG 28 -26.004 -0.330 3.599 253 2HD ARG 28 HD2 ARG 28 -27.055 -0.271 5.013 254 HE ARG 28 HE ARG 28 -24.378 -0.517 5.935 255 1HH1 ARG 28 HH21 ARG 28 -24.484 -2.329 3.484 256 2HH1 ARG 28 HH22 ARG 28 -24.918 -3.845 4.200 257 1HH2 ARG 28 HH11 ARG 28 -25.943 -2.359 7.205 258 2HH2 ARG 28 HH12 ARG 28 -25.766 -3.863 6.362 259 HA PRO 29 HA PRO 29 -27.793 5.625 9.389 260 1HB PRO 29 HB1 PRO 29 -27.359 7.870 9.165 261 2HB PRO 29 HB2 PRO 29 -28.570 7.981 7.888 262 1HG PRO 29 HG1 PRO 29 -25.677 8.045 7.616 263 2HG PRO 29 HG2 PRO 29 -26.889 8.232 6.347 264 1HD PRO 29 HD1 PRO 29 -26.493 6.119 5.599 265 2HD PRO 29 HD2 PRO 29 -25.181 5.978 6.781 266 OH TYR 30 OH TYR 30 -29.616 10.595 2.764 267 H TYR 30 HN TYR 30 -29.082 6.044 6.089 268 HA TYR 30 HA TYR 30 -31.793 6.362 6.703 269 1HB TYR 30 HB1 TYR 30 -32.201 5.283 4.450 270 2HB TYR 30 HB2 TYR 30 -30.523 4.753 4.429 271 HD1 TYR 30 HD1 TYR 30 -32.498 7.898 4.977 272 HD2 TYR 30 HD2 TYR 30 -28.972 6.155 3.360 273 HE1 TYR 30 HE1 TYR 30 -31.813 10.084 4.110 274 HE2 TYR 30 HE2 TYR 30 -28.285 8.344 2.501 275 HH TYR 30 HH TYR 30 -29.025 10.450 2.021 276 H HIS 31 HN HIS 31 -32.321 5.133 8.539 277 HA HIS 31 HA HIS 31 -32.292 2.167 8.262 278 1HB HIS 31 HB1 HIS 31 -33.248 2.474 10.727 279 2HB HIS 31 HB2 HIS 31 -32.685 4.131 10.546 280 HD1 HIS 31 HD1 HIS 31 -31.287 0.706 10.335 281 HD2 HIS 31 HD2 HIS 31 -30.006 4.495 11.011 282 HE1 HIS 31 HE1 HIS 31 -28.951 0.473 10.960 283 H CYS 32 HN CYS 32 -34.151 0.953 8.085 284 HA CYS 32 HA CYS 32 -36.548 2.235 7.177 285 1HB CYS 32 HB1 CYS 32 -35.814 -0.563 8.072 286 2HB CYS 32 HB2 CYS 32 -36.250 -0.016 6.475 287 H THR 33 HN THR 33 -38.666 2.122 8.216 288 HA THR 33 HA THR 33 -38.425 2.852 11.064 289 HB THR 33 HB THR 33 -40.809 2.863 9.113 290 HG1 THR 33 HG1 THR 33 -39.694 5.107 10.302 291 1HG2 THR 33 HG21 THR 33 -41.917 2.938 11.222 292 2HG2 THR 33 HG22 THR 33 -41.458 4.631 11.071 293 3HG2 THR 33 HG23 THR 33 -40.486 3.541 12.053 294 OH TYR 34 OH TYR 34 -45.052 1.555 9.685 295 H TYR 34 HN TYR 34 -38.294 0.029 9.839 296 HA TYR 34 HA TYR 34 -39.929 -1.208 11.972 297 1HB TYR 34 HB1 TYR 34 -40.861 -2.872 10.329 298 2HB TYR 34 HB2 TYR 34 -40.093 -1.986 9.016 299 HD1 TYR 34 HD2 TYR 34 -40.838 0.372 8.525 300 HD2 TYR 34 HD1 TYR 34 -42.912 -2.091 11.305 301 HE1 TYR 34 HE2 TYR 34 -42.789 1.851 8.382 302 HE2 TYR 34 HE1 TYR 34 -44.860 -0.609 11.160 303 HH TYR 34 HH TYR 34 -44.774 2.373 9.267 304 H CYS 35 HN CYS 35 -38.076 -2.192 9.109 305 HA CYS 35 HA CYS 35 -36.856 -4.425 10.486 306 1HB CYS 35 HB1 CYS 35 -35.636 -4.741 8.435 307 2HB CYS 35 HB2 CYS 35 -35.812 -3.070 7.985 308 H ASN 36 HN ASN 36 -34.460 -4.676 10.506 309 HA ASN 36 HA ASN 36 -33.275 -2.254 11.753 310 1HB ASN 36 HB1 ASN 36 -31.964 -4.992 11.661 311 2HB ASN 36 HB2 ASN 36 -33.313 -4.722 12.763 312 1HD2 ASN 36 HD21 ASN 36 -30.085 -4.834 12.878 313 2HD2 ASN 36 HD22 ASN 36 -29.753 -3.608 14.004 314 H PHE 37 HN PHE 37 -33.580 -3.245 8.792 315 HA PHE 37 HA PHE 37 -30.771 -3.272 7.928 316 1HB PHE 37 HB1 PHE 37 -33.117 -2.937 6.047 317 2HB PHE 37 HB2 PHE 37 -32.918 -4.480 6.876 318 HD1 PHE 37 HD2 PHE 37 -30.647 -5.668 6.667 319 HD2 PHE 37 HD1 PHE 37 -31.767 -2.401 4.175 320 HE1 PHE 37 HE2 PHE 37 -28.914 -6.306 5.047 321 HE2 PHE 37 HE1 PHE 37 -30.031 -3.043 2.559 322 HZ PHE 37 HZ PHE 37 -28.605 -4.994 2.994 323 H SER 38 HN SER 38 -29.943 -1.713 6.401 324 HA SER 38 HA SER 38 -31.398 0.859 6.316 325 1HB SER 38 HB1 SER 38 -28.524 0.606 7.340 326 2HB SER 38 HB2 SER 38 -29.936 0.914 8.364 327 HG SER 38 HG1 SER 38 -29.542 2.921 7.810 328 H PHE 39 HN PHE 39 -30.101 2.479 5.013 329 HA PHE 39 HA PHE 39 -28.561 1.118 2.857 330 1HB PHE 39 HB1 PHE 39 -29.951 2.162 1.189 331 2HB PHE 39 HB2 PHE 39 -30.660 3.262 2.371 332 HD1 PHE 39 HD2 PHE 39 -32.211 2.361 4.129 333 HD2 PHE 39 HD1 PHE 39 -30.812 -0.087 0.932 334 HE1 PHE 39 HE2 PHE 39 -33.942 0.695 4.640 335 HE2 PHE 39 HE1 PHE 39 -32.559 -1.738 1.438 336 HZ PHE 39 HZ PHE 39 -34.122 -1.348 3.294 337 H LYS 40 HN LYS 40 -27.258 2.574 1.596 338 HA LYS 40 HA LYS 40 -26.124 4.708 3.267 339 1HB LYS 40 HB1 LYS 40 -25.389 3.528 0.546 340 2HB LYS 40 HB2 LYS 40 -24.616 3.183 2.078 341 1HG LYS 40 HG1 LYS 40 -24.579 5.853 0.628 342 2HG LYS 40 HG2 LYS 40 -23.227 4.749 0.814 343 1HD LYS 40 HD1 LYS 40 -23.704 4.980 3.370 344 2HD LYS 40 HD2 LYS 40 -24.565 6.441 2.913 345 1HE LYS 40 HE1 LYS 40 -21.645 5.782 2.473 346 2HE LYS 40 HE2 LYS 40 -22.323 7.140 3.358 347 1HZ LYS 40 HZ1 LYS 40 -22.446 8.327 1.515 348 2HZ LYS 40 HZ2 LYS 40 -23.254 7.091 0.676 349 3HZ LYS 40 HZ3 LYS 40 -21.557 7.112 0.729 350 H THR 41 HN THR 41 -28.381 4.430 0.727 351 HA THR 41 HA THR 41 -28.290 7.396 0.360 352 HB THR 41 HB THR 41 -28.592 7.134 -2.031 353 HG1 THR 41 HG1 THR 41 -29.074 4.402 -1.387 354 1HG2 THR 41 HG21 THR 41 -26.301 6.160 -1.076 355 2HG2 THR 41 HG22 THR 41 -26.754 5.698 -2.715 356 3HG2 THR 41 HG23 THR 41 -27.028 4.585 -1.378 357 H LYS 42 HN LYS 42 -30.267 8.369 -0.227 358 HA LYS 42 HA LYS 42 -32.502 7.266 1.190 359 1HB LYS 42 HB1 LYS 42 -32.545 9.555 -0.818 360 2HB LYS 42 HB2 LYS 42 -31.937 9.756 0.818 361 1HG LYS 42 HG1 LYS 42 -34.564 8.421 0.680 362 2HG LYS 42 HG2 LYS 42 -34.576 10.071 0.072 363 1HD LYS 42 HD1 LYS 42 -33.489 10.837 2.175 364 2HD LYS 42 HD2 LYS 42 -33.522 9.184 2.781 365 1HE LYS 42 HE1 LYS 42 -35.460 10.269 3.694 366 2HE LYS 42 HE2 LYS 42 -36.047 9.232 2.401 367 1HZ LYS 42 HZ1 LYS 42 -35.326 11.993 1.754 368 2HZ LYS 42 HZ2 LYS 42 -36.785 11.710 2.576 369 3HZ LYS 42 HZ3 LYS 42 -36.510 10.990 1.063 370 H GLY 43 HN GLY 43 -31.360 7.089 -2.043 371 1HA GLY 43 HA1 GLY 43 -32.209 5.929 -3.902 372 2HA GLY 43 HA2 GLY 43 -33.760 6.653 -3.480 373 H ASN 44 HN ASN 44 -31.587 3.996 -2.578 374 HA ASN 44 HA ASN 44 -33.373 1.904 -2.836 375 1HB ASN 44 HB1 ASN 44 -32.002 0.891 -0.824 376 2HB ASN 44 HB2 ASN 44 -31.088 2.394 -0.895 377 1HD2 ASN 44 HD21 ASN 44 -31.918 2.193 -3.990 378 2HD2 ASN 44 HD22 ASN 44 -30.678 1.213 -4.611 379 H LEU 45 HN LEU 45 -32.872 3.877 0.076 380 HA LEU 45 HA LEU 45 -34.662 2.573 1.784 381 1HB LEU 45 HB1 LEU 45 -34.079 5.566 1.468 382 2HB LEU 45 HB2 LEU 45 -33.225 4.454 2.515 383 HG LEU 45 HG LEU 45 -34.705 5.615 3.969 384 1HD1 LEU 45 HD11 LEU 45 -36.251 6.152 1.742 385 2HD1 LEU 45 HD12 LEU 45 -36.722 6.509 3.396 386 3HD1 LEU 45 HD13 LEU 45 -37.277 5.033 2.623 387 1HD2 LEU 45 HD21 LEU 45 -34.720 3.060 4.100 388 2HD2 LEU 45 HD22 LEU 45 -36.290 3.114 3.312 389 3HD2 LEU 45 HD23 LEU 45 -36.066 3.882 4.879 390 H THR 46 HN THR 46 -35.358 5.218 -0.487 391 HA THR 46 HA THR 46 -38.135 5.415 0.024 392 HB THR 46 HB THR 46 -36.672 5.785 -2.663 393 HG1 THR 46 HG1 THR 46 -36.301 6.892 -0.353 394 1HG2 THR 46 HG21 THR 46 -39.289 6.849 -1.459 395 2HG2 THR 46 HG22 THR 46 -39.110 5.992 -2.987 396 3HG2 THR 46 HG23 THR 46 -38.495 7.633 -2.821 397 H LYS 47 HN LYS 47 -36.321 3.181 -1.989 398 HA LYS 47 HA LYS 47 -38.672 2.057 -3.265 399 1HB LYS 47 HB1 LYS 47 -35.965 0.705 -2.864 400 2HB LYS 47 HB2 LYS 47 -36.229 1.940 -4.090 401 1HG LYS 47 HG1 LYS 47 -37.820 0.599 -5.252 402 2HG LYS 47 HG2 LYS 47 -38.014 -0.493 -3.888 403 1HD LYS 47 HD1 LYS 47 -36.620 -1.570 -5.588 404 2HD LYS 47 HD2 LYS 47 -35.642 -1.223 -4.167 405 1HE LYS 47 HE1 LYS 47 -34.604 -0.598 -6.427 406 2HE LYS 47 HE2 LYS 47 -34.619 0.672 -5.211 407 1HZ LYS 47 HZ1 LYS 47 -35.492 1.015 -7.680 408 2HZ LYS 47 HZ2 LYS 47 -36.110 1.880 -6.355 409 3HZ LYS 47 HZ3 LYS 47 -36.944 0.524 -6.947 410 H HIS 48 HN HIS 48 -36.639 1.090 -0.517 411 HA HIS 48 HA HIS 48 -38.002 -1.373 -0.004 412 1HB HIS 48 HB1 HIS 48 -36.503 0.523 1.875 413 2HB HIS 48 HB2 HIS 48 -35.819 -0.865 1.034 414 HD1 HIS 48 HD1 HIS 48 -36.821 -3.186 1.855 415 HD2 HIS 48 HD2 HIS 48 -37.756 -0.047 4.301 416 HE1 HIS 48 HE1 HIS 48 -37.580 -4.198 3.949 417 H MET 49 HN MET 49 -38.856 1.908 0.583 418 HA MET 49 HA MET 49 -40.945 1.115 2.541 419 1HB MET 49 HB1 MET 49 -41.330 3.689 2.510 420 2HB MET 49 HB2 MET 49 -39.877 3.782 1.521 421 1HG MET 49 HG1 MET 49 -39.294 4.102 3.856 422 2HG MET 49 HG2 MET 49 -38.605 2.615 3.262 423 1HE MET 49 HE1 MET 49 -40.094 4.326 6.064 424 2HE MET 49 HE2 MET 49 -41.394 3.329 6.716 425 3HE MET 49 HE3 MET 49 -41.607 4.159 5.174 426 H LYS 50 HN LYS 50 -40.601 2.583 -0.662 427 HA LYS 50 HA LYS 50 -43.308 3.164 -1.174 428 1HB LYS 50 HB1 LYS 50 -41.308 2.001 -3.172 429 2HB LYS 50 HB2 LYS 50 -41.306 3.686 -2.667 430 1HG LYS 50 HG1 LYS 50 -43.596 3.972 -3.517 431 2HG LYS 50 HG2 LYS 50 -43.669 2.270 -3.951 432 1HD LYS 50 HD1 LYS 50 -43.129 3.613 -5.938 433 2HD LYS 50 HD2 LYS 50 -41.760 2.594 -5.511 434 1HE LYS 50 HE1 LYS 50 -40.480 4.383 -4.776 435 2HE LYS 50 HE2 LYS 50 -41.883 5.337 -4.312 436 1HZ LYS 50 HZ1 LYS 50 -41.987 6.272 -6.306 437 2HZ LYS 50 HZ2 LYS 50 -41.770 4.799 -7.124 438 3HZ LYS 50 HZ3 LYS 50 -40.422 5.667 -6.564 439 H SER 51 HN SER 51 -41.547 0.124 -1.688 440 HA SER 51 HA SER 51 -43.562 -1.378 -2.916 441 1HB SER 51 HB1 SER 51 -41.862 -2.548 -0.671 442 2HB SER 51 HB2 SER 51 -41.124 -2.072 -2.213 443 HG SER 51 HG1 SER 51 -43.479 -3.354 -2.581 444 H LYS 52 HN LYS 52 -44.963 -3.049 -1.960 445 HA LYS 52 HA LYS 52 -46.616 -1.868 0.121 446 1HB LYS 52 HB1 LYS 52 -46.726 -4.648 -1.155 447 2HB LYS 52 HB2 LYS 52 -47.537 -3.224 -1.795 448 1HG LYS 52 HG1 LYS 52 -48.330 -3.269 0.874 449 2HG LYS 52 HG2 LYS 52 -48.327 -4.969 0.421 450 1HD LYS 52 HD1 LYS 52 -49.690 -4.401 -1.595 451 2HD LYS 52 HD2 LYS 52 -49.747 -2.726 -1.057 452 1HE LYS 52 HE1 LYS 52 -51.327 -5.004 -0.151 453 2HE LYS 52 HE2 LYS 52 -51.587 -3.288 0.137 454 1HZ LYS 52 HZ1 LYS 52 -51.231 -4.419 2.203 455 2HZ LYS 52 HZ2 LYS 52 -49.912 -3.392 1.899 456 3HZ LYS 52 HZ3 LYS 52 -49.760 -5.066 1.652 457 H ALA 53 HN ALA 53 -43.835 -2.709 0.787 458 HA ALA 53 HA ALA 53 -43.803 -5.057 2.371 459 1HB ALA 53 HB1 ALA 53 -42.319 -2.404 2.702 460 2HB ALA 53 HB2 ALA 53 -41.736 -3.830 1.850 461 3HB ALA 53 HB3 ALA 53 -41.916 -3.863 3.601 462 H HIS 54 HN HIS 54 -43.194 -2.283 4.303 463 HA HIS 54 HA HIS 54 -45.782 -2.587 5.719 464 1HB HIS 54 HB1 HIS 54 -44.553 -4.017 7.107 465 2HB HIS 54 HB2 HIS 54 -44.195 -2.479 7.879 466 HD1 HIS 54 HD1 HIS 54 -42.554 -5.239 6.323 467 HD2 HIS 54 HD2 HIS 54 -41.589 -1.313 6.950 468 HE1 HIS 54 HE1 HIS 54 -40.117 -5.121 6.113 469 H SER 55 HN SER 55 -46.202 -0.506 4.891 470 HA SER 55 HA SER 55 -45.201 1.609 6.660 471 1HB SER 55 HB1 SER 55 -44.967 2.142 3.675 472 2HB SER 55 HB2 SER 55 -43.634 1.337 4.525 473 HG SER 55 HG1 SER 55 -43.471 3.039 5.900 474 H LYS 56 HN LYS 56 -47.741 0.322 6.059 475 HA LYS 56 HA LYS 56 -49.385 1.974 4.405 476 1HB LYS 56 HB1 LYS 56 -51.258 0.985 5.860 477 2HB LYS 56 HB2 LYS 56 -50.003 0.219 6.825 478 1HG LYS 56 HG1 LYS 56 -49.155 -0.939 4.812 479 2HG LYS 56 HG2 LYS 56 -50.399 -0.164 3.838 480 1HD LYS 56 HD1 LYS 56 -51.916 -1.721 4.450 481 2HD LYS 56 HD2 LYS 56 -51.604 -1.410 6.154 482 1HE LYS 56 HE1 LYS 56 -49.702 -2.935 6.134 483 2HE LYS 56 HE2 LYS 56 -49.853 -3.158 4.395 484 1HZ LYS 56 HZ1 LYS 56 -52.316 -3.714 5.644 485 2HZ LYS 56 HZ2 LYS 56 -51.087 -4.610 6.400 486 3HZ LYS 56 HZ3 LYS 56 -51.328 -4.744 4.725 487 H LYS 57 HN LYS 57 -50.114 1.787 7.829 488 HA LYS 57 HA LYS 57 -51.122 4.401 8.003 489 1HB LYS 57 HB1 LYS 57 -50.977 4.101 10.446 490 2HB LYS 57 HB2 LYS 57 -49.749 2.858 10.255 491 1HG LYS 57 HG1 LYS 57 -51.880 1.758 10.668 492 2HG LYS 57 HG2 LYS 57 -51.424 1.460 9.000 493 1HD LYS 57 HD1 LYS 57 -52.986 3.928 9.303 494 2HD LYS 57 HD2 LYS 57 -53.858 2.506 9.853 495 1HE LYS 57 HE1 LYS 57 -52.425 2.637 7.185 496 2HE LYS 57 HE2 LYS 57 -54.128 3.027 7.382 497 1HZ LYS 57 HZ1 LYS 57 -53.975 0.775 6.732 498 2HZ LYS 57 HZ2 LYS 57 -54.403 0.781 8.376 499 3HZ LYS 57 LYS 57 -52.805 0.432 7.915 Start of MODEL 46 Raw file had 499 H/Q atoms Start of MODEL 46 1 1H LYS 1 HT1 LYS 1 -12.609 -5.819 -10.978 2 2H LYS 1 HT2 LYS 1 -11.319 -5.552 -9.906 3 3H LYS 1 HT3 LYS 1 -11.025 -5.676 -11.573 4 HA LYS 1 HA LYS 1 -10.915 -3.386 -10.855 5 1HB LYS 1 HB1 LYS 1 -12.509 -2.480 -12.506 6 2HB LYS 1 HB2 LYS 1 -13.453 -3.964 -12.463 7 1HG LYS 1 HG1 LYS 1 -10.542 -4.243 -13.071 8 2HG LYS 1 HG2 LYS 1 -11.539 -3.512 -14.323 9 1HD LYS 1 HD1 LYS 1 -12.520 -6.024 -12.998 10 2HD LYS 1 HD2 LYS 1 -11.247 -6.151 -14.204 11 1HE LYS 1 HE1 LYS 1 -12.625 -5.050 -15.867 12 2HE LYS 1 HE2 LYS 1 -13.852 -4.669 -14.666 13 1HZ LYS 1 HZ1 LYS 1 -14.693 -6.524 -15.698 14 2HZ LYS 1 HZ2 LYS 1 -13.930 -7.200 -14.338 15 3HZ LYS 1 HZ3 LYS 1 -13.176 -7.271 -15.858 16 OH TYR 2 OH TYR 2 -10.343 2.566 -10.101 17 H TYR 2 HN TYR 2 -13.829 -2.289 -11.285 18 HA TYR 2 HA TYR 2 -14.318 -2.038 -8.363 19 1HB TYR 2 HB1 TYR 2 -15.735 -0.124 -9.010 20 2HB TYR 2 HB2 TYR 2 -15.582 -0.549 -10.709 21 HD1 TYR 2 HD2 TYR 2 -13.539 0.407 -7.731 22 HD2 TYR 2 HD1 TYR 2 -13.784 0.303 -11.975 23 HE1 TYR 2 HE2 TYR 2 -11.501 1.762 -7.882 24 HE2 TYR 2 HE1 TYR 2 -11.749 1.658 -12.127 25 HH TYR 2 HH TYR 2 -9.587 1.979 -10.019 26 H ILE 3 HN ILE 3 -15.032 -4.474 -9.003 27 HA ILE 3 HA ILE 3 -18.006 -4.369 -9.341 28 HB ILE 3 HB ILE 3 -16.195 -6.758 -9.894 29 1HG1 ILE 3 HG11 ILE 3 -15.482 -4.965 -11.380 30 2HG1 ILE 3 HG12 ILE 3 -17.149 -4.589 -11.798 31 1HG2 ILE 3 HG21 ILE 3 -18.141 -7.687 -10.910 32 2HG2 ILE 3 HG22 ILE 3 -18.880 -6.109 -11.162 33 3HG2 ILE 3 HG23 ILE 3 -18.832 -6.811 -9.547 34 1HD1 ILE 3 HD1 ILE 3 -16.055 -7.368 -12.234 35 2HD1 ILE 3 HD2 ILE 3 -15.774 -6.102 -13.427 36 3HD1 ILE 3 HD3 ILE 3 -17.420 -6.586 -13.027 37 H CYS 4 HN CYS 4 -18.692 -4.367 -7.219 38 HA CYS 4 HA CYS 4 -17.400 -5.641 -5.076 39 1HB CYS 4 HB1 CYS 4 -20.344 -5.138 -5.568 40 2HB CYS 4 HB2 CYS 4 -19.259 -4.183 -4.600 41 H GLU 5 HN GLU 5 -16.797 -7.650 -4.954 42 HA GLU 5 HA GLU 5 -17.815 -9.785 -6.506 43 1HB GLU 5 HB1 GLU 5 -16.585 -11.225 -4.789 44 2HB GLU 5 HB2 GLU 5 -16.282 -9.756 -3.870 45 1HG GLU 5 HG1 GLU 5 -15.089 -8.775 -5.783 46 2HG GLU 5 HG2 GLU 5 -15.447 -10.198 -6.757 47 H GLU 6 HN GLU 6 -19.104 -8.337 -3.689 48 HA GLU 6 HA GLU 6 -20.565 -10.731 -2.898 49 1HB GLU 6 HB1 GLU 6 -21.167 -7.967 -1.851 50 2HB GLU 6 HB2 GLU 6 -19.646 -8.728 -1.407 51 1HG GLU 6 HG1 GLU 6 -22.292 -10.167 -1.109 52 2HG GLU 6 HG2 GLU 6 -21.635 -9.150 0.172 53 H CYS 7 HN CYS 7 -21.676 -7.425 -3.618 54 HA CYS 7 HA CYS 7 -24.290 -8.461 -4.403 55 1HB CYS 7 HB1 CYS 7 -24.897 -6.170 -4.688 56 2HB CYS 7 HB2 CYS 7 -23.254 -5.676 -4.963 57 H GLY 8 HN GLY 8 -21.634 -6.780 -6.042 58 1HA GLY 8 HA1 GLY 8 -22.567 -7.997 -8.609 59 2HA GLY 8 HA2 GLY 8 -20.887 -7.613 -8.251 60 H ILE 9 HN ILE 9 -22.037 -5.063 -6.922 61 HA ILE 9 HA ILE 9 -23.231 -3.505 -8.962 62 HB ILE 9 HB ILE 9 -22.945 -2.999 -6.410 63 1HG1 ILE 9 HG11 ILE 9 -22.859 -1.110 -8.719 64 2HG1 ILE 9 HG12 ILE 9 -22.622 -0.431 -7.113 65 1HG2 ILE 9 HG21 ILE 9 -20.973 -1.763 -5.771 66 2HG2 ILE 9 HG22 ILE 9 -20.471 -1.528 -7.437 67 3HG2 ILE 9 HG23 ILE 9 -20.345 -3.116 -6.689 68 1HD1 ILE 9 HD1 ILE 9 -25.063 -0.659 -8.031 69 2HD1 ILE 9 HD2 ILE 9 -24.742 -1.134 -6.366 70 3HD1 ILE 9 HD3 ILE 9 -24.881 -2.361 -7.620 71 NH1 ARG 10 NH1 ARG 10 -22.336 -1.965 -16.695 72 NH2 ARG 10 NH2 ARG 10 -20.601 -3.026 -17.736 73 H ARG 10 HN ARG 10 -22.448 -2.688 -10.768 74 HA ARG 10 HA ARG 10 -19.502 -2.770 -11.193 75 1HB ARG 10 HB1 ARG 10 -21.789 -2.367 -13.183 76 2HB ARG 10 HB2 ARG 10 -21.059 -3.925 -12.818 77 1HG ARG 10 HG1 ARG 10 -18.807 -2.625 -13.408 78 2HG ARG 10 HG2 ARG 10 -19.907 -1.591 -14.313 79 1HD ARG 10 HD1 ARG 10 -19.660 -4.606 -14.599 80 2HD ARG 10 HD2 ARG 10 -19.085 -3.409 -15.756 81 HE ARG 10 HE ARG 10 -21.924 -4.101 -15.256 82 1HH1 ARG 10 HH11 ARG 10 -22.911 -1.858 -15.884 83 2HH1 ARG 10 HH12 ARG 10 -22.496 -1.395 -17.501 84 1HH2 ARG 10 HH21 ARG 10 -19.875 -3.714 -17.707 85 2HH2 ARG 10 HH22 ARG 10 -20.733 -2.474 -18.560 86 H ABA 11 HN ABU 11 -18.915 -0.836 -10.155 87 HA ABA 11 HA ABU 11 -20.146 1.669 -11.213 88 1HB ABA 11 HB1 ABU 11 -18.477 2.604 -9.364 89 2HB ABA 11 HB2 ABU 11 -18.490 0.948 -8.798 90 1HG ABA 11 HG1 ABU 11 -20.874 2.790 -9.115 91 2HG ABA 11 HG2 ABU 11 -20.259 2.086 -7.622 92 3HG ABA 11 HG3 ABU 11 -21.031 1.059 -8.825 93 H LYS 12 HN LYS 12 -19.222 2.440 -12.961 94 HA LYS 12 HA LYS 12 -16.575 1.780 -13.796 95 1HB LYS 12 HB1 LYS 12 -17.006 3.363 -15.612 96 2HB LYS 12 HB2 LYS 12 -18.289 4.137 -14.689 97 1HG LYS 12 HG1 LYS 12 -19.641 2.110 -14.768 98 2HG LYS 12 HG2 LYS 12 -18.330 1.222 -15.535 99 1HD LYS 12 HD1 LYS 12 -18.435 2.858 -17.450 100 2HD LYS 12 HD2 LYS 12 -19.863 3.566 -16.704 101 1HE LYS 12 HE1 LYS 12 -19.528 0.752 -17.771 102 2HE LYS 12 HE2 LYS 12 -20.686 1.969 -18.291 103 1HZ LYS 12 HZ1 LYS 12 -21.444 1.829 -15.828 104 2HZ LYS 12 HZ2 LYS 12 -20.701 0.303 -15.880 105 3HZ LYS 12 HZ3 LYS 12 -21.967 0.668 -16.952 106 H LYS 13 HN LYS 13 -17.241 3.442 -11.181 107 HA LYS 13 HA LYS 13 -14.848 5.140 -11.501 108 1HB LYS 13 HB1 LYS 13 -16.254 6.935 -10.156 109 2HB LYS 13 HB2 LYS 13 -17.638 6.037 -10.778 110 1HG LYS 13 HG1 LYS 13 -16.808 6.343 -13.085 111 2HG LYS 13 HG2 LYS 13 -15.408 7.216 -12.473 112 1HD LYS 13 HD1 LYS 13 -16.665 9.082 -11.867 113 2HD LYS 13 HD2 LYS 13 -18.145 8.149 -11.674 114 1HE LYS 13 HE1 LYS 13 -16.834 8.477 -14.379 115 2HE LYS 13 HE2 LYS 13 -17.966 9.674 -13.760 116 1HZ LYS 13 HZ1 LYS 13 -19.083 8.046 -15.126 117 2HZ LYS 13 HZ2 LYS 13 -19.622 7.936 -13.518 118 3HZ LYS 13 HZ3 LYS 13 -18.531 6.786 -14.128 119 HA PRO 14 HA PRO 14 -14.009 3.389 -7.455 120 1HB PRO 14 HB1 PRO 14 -11.800 4.014 -7.279 121 2HB PRO 14 HB2 PRO 14 -12.320 5.558 -6.602 122 1HG PRO 14 HG1 PRO 14 -11.094 5.147 -9.142 123 2HG PRO 14 HG2 PRO 14 -11.804 6.650 -8.550 124 1HD PRO 14 HD1 PRO 14 -13.449 6.422 -10.125 125 2HD PRO 14 HD2 PRO 14 -12.834 4.815 -10.566 126 H SER 15 HN SER 15 -14.473 6.936 -7.537 127 HA SER 15 HA SER 15 -15.136 7.406 -4.889 128 1HB SER 15 HB1 SER 15 -15.245 8.988 -7.037 129 2HB SER 15 HB2 SER 15 -16.333 9.341 -5.681 130 HG SER 15 HG1 SER 15 -16.978 8.625 -8.155 131 H MET 16 HN MET 16 -17.328 6.144 -7.392 132 HA MET 16 HA MET 16 -19.569 5.896 -5.582 133 1HB MET 16 HB1 MET 16 -20.481 4.414 -7.449 134 2HB MET 16 HB2 MET 16 -18.931 4.573 -8.258 135 1HG MET 16 HG1 MET 16 -19.217 6.843 -8.680 136 2HG MET 16 HG2 MET 16 -20.380 7.045 -7.400 137 1HE MET 16 HE1 MET 16 -23.591 6.365 -8.406 138 2HE MET 16 HE2 MET 16 -22.362 5.807 -7.271 139 3HE MET 16 HE3 MET 16 -22.957 4.725 -8.530 140 H LEU 17 HN LEU 17 -17.349 3.434 -6.973 141 HA LEU 17 HA LEU 17 -18.423 1.266 -5.504 142 1HB LEU 17 HB1 LEU 17 -15.461 1.610 -6.147 143 2HB LEU 17 HB2 LEU 17 -16.628 1.278 -7.406 144 HG LEU 17 HG LEU 17 -15.412 -0.779 -6.506 145 1HD1 LEU 17 HD11 LEU 17 -15.522 0.013 -4.089 146 2HD1 LEU 17 HD12 LEU 17 -15.934 -1.671 -4.370 147 3HD1 LEU 17 HD13 LEU 17 -17.209 -0.497 -4.098 148 1HD2 LEU 17 HD21 LEU 17 -18.403 -0.950 -6.044 149 2HD2 LEU 17 HD22 LEU 17 -17.319 -2.222 -6.584 150 3HD2 LEU 17 HD23 LEU 17 -17.683 -0.872 -7.642 151 H LYS 18 HN LYS 18 -15.584 3.247 -4.815 152 HA LYS 18 HA LYS 18 -14.722 2.398 -2.400 153 1HB LYS 18 HB1 LYS 18 -14.611 4.967 -1.764 154 2HB LYS 18 HB2 LYS 18 -15.265 5.224 -3.376 155 1HG LYS 18 HG1 LYS 18 -13.385 3.962 -4.356 156 2HG LYS 18 HG2 LYS 18 -12.740 3.658 -2.748 157 1HD LYS 18 HD1 LYS 18 -12.991 6.371 -2.654 158 2HD LYS 18 HD2 LYS 18 -12.682 6.150 -4.370 159 1HE LYS 18 HE1 LYS 18 -10.508 6.309 -3.509 160 2HE LYS 18 HE2 LYS 18 -10.747 4.568 -3.551 161 1HZ LYS 18 HZ1 LYS 18 -10.578 6.368 -1.278 162 2HZ LYS 18 HZ2 LYS 18 -10.078 4.752 -1.430 163 3HZ LYS 18 HZ3 LYS 18 -11.713 5.112 -1.152 164 H LYS 19 HN LYS 19 -17.503 4.598 -2.760 165 HA LYS 19 HA LYS 19 -18.198 4.508 0.006 166 1HB LYS 19 HB1 LYS 19 -20.456 5.352 -0.895 167 2HB LYS 19 HB2 LYS 19 -19.788 5.165 -2.512 168 1HG LYS 19 HG1 LYS 19 -18.019 6.757 -2.032 169 2HG LYS 19 HG2 LYS 19 -18.485 6.833 -0.337 170 1HD LYS 19 HD1 LYS 19 -20.597 7.876 -0.891 171 2HD LYS 19 HD2 LYS 19 -20.340 7.603 -2.609 172 1HE LYS 19 HE1 LYS 19 -18.633 9.373 -0.829 173 2HE LYS 19 HE2 LYS 19 -19.811 9.940 -2.006 174 1HZ LYS 19 HZ1 LYS 19 -17.129 9.065 -2.404 175 2HZ LYS 19 HZ2 LYS 19 -18.151 9.932 -3.446 176 3HZ LYS 19 HZ3 LYS 19 -18.214 8.236 -3.412 177 H HIS 20 HN HIS 20 -19.205 2.628 -2.800 178 HA HIS 20 HA HIS 20 -21.339 1.211 -1.568 179 1HB HIS 20 HB1 HIS 20 -19.395 0.273 -3.713 180 2HB HIS 20 HB2 HIS 20 -20.896 1.136 -4.026 181 HD1 HIS 20 HD1 HIS 20 -22.822 -0.432 -4.288 182 HD2 HIS 20 HD2 HIS 20 -19.746 -2.255 -2.345 183 HE1 HIS 20 HE1 HIS 20 -23.544 -2.749 -3.962 184 H ILE 21 HN ILE 21 -17.919 0.240 -1.985 185 HA ILE 21 HA ILE 21 -18.186 -2.204 -0.583 186 HB ILE 21 HB ILE 21 -16.092 -1.040 -1.864 187 1HG1 ILE 21 HG11 ILE 21 -15.902 -3.035 0.424 188 2HG1 ILE 21 HG12 ILE 21 -14.603 -2.731 -0.721 189 1HG2 ILE 21 HG21 ILE 21 -15.273 -0.792 1.068 190 2HG2 ILE 21 HG22 ILE 21 -15.880 0.583 0.167 191 3HG2 ILE 21 HG23 ILE 21 -14.410 -0.209 -0.349 192 1HD1 ILE 21 HD1 ILE 21 -16.911 -3.148 -2.302 193 2HD1 ILE 21 HD2 ILE 21 -16.967 -4.380 -1.047 194 3HD1 ILE 21 HD3 ILE 21 -15.558 -4.253 -2.093 195 NH1 ARG 22 NH2 ARG 22 -14.106 6.260 3.765 196 NH2 ARG 22 NH1 ARG 22 -12.875 5.335 2.078 197 H ARG 22 HN ARG 22 -17.904 1.086 0.576 198 HA ARG 22 HA ARG 22 -17.434 0.275 3.356 199 1HB ARG 22 HB1 ARG 22 -18.166 2.794 3.685 200 2HB ARG 22 HB2 ARG 22 -18.116 2.874 1.928 201 1HG ARG 22 HG1 ARG 22 -15.776 2.099 1.944 202 2HG ARG 22 HG2 ARG 22 -15.820 1.961 3.696 203 1HD ARG 22 HD1 ARG 22 -16.374 4.426 3.800 204 2HD ARG 22 HD2 ARG 22 -16.099 4.505 2.061 205 HE ARG 22 HE ARG 22 -13.860 3.320 3.510 206 1HH1 ARG 22 HH21 ARG 22 -14.802 6.154 4.475 207 2HH1 ARG 22 HH22 ARG 22 -13.660 7.145 3.631 208 1HH2 ARG 22 HH11 ARG 22 -12.648 4.534 1.523 209 2HH2 ARG 22 HH12 ARG 22 -12.408 6.204 1.914 210 H THR 23 HN THR 23 -20.131 0.461 1.297 211 HA THR 23 HA THR 23 -22.087 1.033 3.356 212 HB THR 23 HB THR 23 -22.470 -0.418 0.660 213 HG1 THR 23 HG1 THR 23 -21.518 1.909 1.131 214 1HG2 THR 23 HG21 THR 23 -24.686 1.110 1.022 215 2HG2 THR 23 HG22 THR 23 -24.297 0.865 2.721 216 3HG2 THR 23 HG23 THR 23 -24.621 -0.516 1.687 217 H HIS 24 HN HIS 24 -20.149 -1.632 2.728 218 HA HIS 24 HA HIS 24 -22.134 -3.609 3.678 219 1HB HIS 24 HB1 HIS 24 -19.934 -5.088 3.570 220 2HB HIS 24 HB2 HIS 24 -19.259 -3.711 2.703 221 HD1 HIS 24 HD1 HIS 24 -22.205 -6.015 2.394 222 HD2 HIS 24 HD2 HIS 24 -19.938 -3.567 0.042 223 HE1 HIS 24 HE1 HIS 24 -22.981 -6.406 0.081 224 H THR 25 HN THR 25 -20.658 -1.276 5.215 225 HA THR 25 HA THR 25 -19.660 -2.913 7.491 226 HB THR 25 HB THR 25 -18.842 -0.573 8.256 227 HG1 THR 25 HG1 THR 25 -20.455 -0.070 6.127 228 1HG2 THR 25 HG21 THR 25 -17.341 -0.217 6.123 229 2HG2 THR 25 HG22 THR 25 -18.125 -1.667 5.503 230 3HG2 THR 25 HG23 THR 25 -17.150 -1.752 6.967 231 H ASP 26 HN ASP 26 -20.715 0.257 8.104 232 HA ASP 26 HA ASP 26 -23.437 -0.432 8.872 233 1HB ASP 26 HB1 ASP 26 -23.009 0.112 11.326 234 2HB ASP 26 HB2 ASP 26 -21.281 0.100 10.980 235 H VAL 27 HN VAL 27 -21.962 1.443 7.263 236 HA VAL 27 HA VAL 27 -22.487 4.018 8.651 237 HB VAL 27 HB VAL 27 -20.297 3.741 7.556 238 1HG1 VAL 27 HG11 VAL 27 -21.855 3.299 4.994 239 2HG1 VAL 27 HG12 VAL 27 -21.020 2.042 5.890 240 3HG1 VAL 27 HG13 VAL 27 -20.105 3.345 5.148 241 1HG2 VAL 27 HG21 VAL 27 -22.056 5.865 7.128 242 2HG2 VAL 27 HG22 VAL 27 -21.399 5.529 5.529 243 3HG2 VAL 27 HG23 VAL 27 -20.315 5.898 6.866 244 NH1 ARG 28 NH2 ARG 28 -26.438 -1.946 2.655 245 NH2 ARG 28 NH1 ARG 28 -25.109 -2.940 4.226 246 H ARG 28 HN ARG 28 -24.764 2.682 8.057 247 HA ARG 28 HA ARG 28 -25.876 4.066 5.655 248 1HB ARG 28 HB1 ARG 28 -27.698 2.255 5.982 249 2HB ARG 28 HB2 ARG 28 -26.581 1.515 7.123 250 1HG ARG 28 HG1 ARG 28 -24.844 1.485 5.307 251 2HG ARG 28 HG2 ARG 28 -26.064 2.077 4.186 252 1HD ARG 28 HD1 ARG 28 -27.293 0.081 4.272 253 2HD ARG 28 HD2 ARG 28 -26.618 -0.394 5.825 254 HE ARG 28 HE ARG 28 -24.441 -0.344 4.093 255 1HH1 ARG 28 HH21 ARG 28 -26.822 -1.109 2.265 256 2HH1 ARG 28 HH22 ARG 28 -26.668 -2.834 2.259 257 1HH2 ARG 28 HH11 ARG 28 -24.498 -2.848 5.013 258 2HH2 ARG 28 HH12 ARG 28 -25.316 -3.845 3.857 259 HA PRO 29 HA PRO 29 -27.797 6.130 9.353 260 1HB PRO 29 HB1 PRO 29 -27.265 8.335 8.998 261 2HB PRO 29 HB2 PRO 29 -28.345 8.401 7.605 262 1HG PRO 29 HG1 PRO 29 -25.429 8.234 7.626 263 2HG PRO 29 HG2 PRO 29 -26.499 8.462 6.242 264 1HD PRO 29 HD1 PRO 29 -26.259 6.281 5.633 265 2HD PRO 29 HD2 PRO 29 -25.050 6.093 6.915 266 OH TYR 30 OH TYR 30 -29.231 10.660 2.877 267 H TYR 30 HN TYR 30 -28.896 5.611 6.083 268 HA TYR 30 HA TYR 30 -31.668 6.350 6.700 269 1HB TYR 30 HB1 TYR 30 -32.114 5.468 4.393 270 2HB TYR 30 HB2 TYR 30 -30.479 4.828 4.320 271 HD1 TYR 30 HD1 TYR 30 -32.268 8.053 4.993 272 HD2 TYR 30 HD2 TYR 30 -28.809 6.182 3.371 273 HE1 TYR 30 HE1 TYR 30 -31.464 10.227 4.195 274 HE2 TYR 30 HE2 TYR 30 -28.004 8.357 2.583 275 HH TYR 30 HH TYR 30 -28.594 10.500 2.175 276 H HIS 31 HN HIS 31 -32.156 5.016 8.471 277 HA HIS 31 HA HIS 31 -32.193 2.078 7.965 278 1HB HIS 31 HB1 HIS 31 -32.676 1.965 10.442 279 2HB HIS 31 HB2 HIS 31 -32.632 3.725 10.503 280 HD1 HIS 31 HD1 HIS 31 -30.392 0.872 9.928 281 HD2 HIS 31 HD2 HIS 31 -30.094 4.878 10.476 282 HE1 HIS 31 HE1 HIS 31 -28.020 1.285 10.226 283 H CYS 32 HN CYS 32 -34.079 0.911 7.883 284 HA CYS 32 HA CYS 32 -36.503 2.292 7.235 285 1HB CYS 32 HB1 CYS 32 -35.808 -0.569 7.969 286 2HB CYS 32 HB2 CYS 32 -36.288 0.059 6.414 287 H THR 33 HN THR 33 -38.444 2.466 8.438 288 HA THR 33 HA THR 33 -37.940 2.836 11.309 289 HB THR 33 HB THR 33 -40.662 3.191 9.978 290 HG1 THR 33 HG1 THR 33 -39.137 5.373 9.861 291 1HG2 THR 33 HG21 THR 33 -39.184 5.191 11.707 292 2HG2 THR 33 HG22 THR 33 -39.861 3.777 12.508 293 3HG2 THR 33 HG23 THR 33 -40.916 4.881 11.633 294 OH TYR 34 OH TYR 34 -44.628 2.430 9.432 295 H TYR 34 HN TYR 34 -38.254 0.135 9.851 296 HA TYR 34 HA TYR 34 -39.975 -1.050 11.966 297 1HB TYR 34 HB1 TYR 34 -41.097 -2.503 10.284 298 2HB TYR 34 HB2 TYR 34 -40.178 -1.747 8.992 299 HD1 TYR 34 HD2 TYR 34 -40.501 0.771 8.604 300 HD2 TYR 34 HD1 TYR 34 -43.121 -1.519 11.050 301 HE1 TYR 34 HE2 TYR 34 -42.231 2.490 8.361 302 HE2 TYR 34 HE1 TYR 34 -44.852 0.200 10.800 303 HH TYR 34 HH TYR 34 -45.248 2.332 10.158 304 H CYS 35 HN CYS 35 -38.268 -2.157 9.051 305 HA CYS 35 HA CYS 35 -37.286 -4.553 10.298 306 1HB CYS 35 HB1 CYS 35 -35.955 -4.805 8.284 307 2HB CYS 35 HB2 CYS 35 -36.045 -3.101 7.939 308 H ASN 36 HN ASN 36 -34.721 -4.803 9.693 309 HA ASN 36 HA ASN 36 -33.353 -2.809 11.455 310 1HB ASN 36 HB1 ASN 36 -32.469 -5.685 10.927 311 2HB ASN 36 HB2 ASN 36 -33.595 -5.295 12.224 312 1HD2 ASN 36 HD21 ASN 36 -32.563 -2.915 13.229 313 2HD2 ASN 36 HD22 ASN 36 -30.994 -3.165 13.826 314 H PHE 37 HN PHE 37 -33.807 -3.469 8.386 315 HA PHE 37 HA PHE 37 -31.032 -3.563 7.444 316 1HB PHE 37 HB1 PHE 37 -33.324 -2.867 5.633 317 2HB PHE 37 HB2 PHE 37 -33.361 -4.462 6.380 318 HD1 PHE 37 HD2 PHE 37 -31.194 -5.895 6.181 319 HD2 PHE 37 HD1 PHE 37 -31.987 -2.500 3.741 320 HE1 PHE 37 HE2 PHE 37 -29.564 -6.700 4.528 321 HE2 PHE 37 HE1 PHE 37 -30.358 -3.309 2.089 322 HZ PHE 37 HZ PHE 37 -29.145 -5.407 2.482 323 H SER 38 HN SER 38 -30.197 -1.911 5.978 324 HA SER 38 HA SER 38 -31.480 0.732 6.213 325 1HB SER 38 HB1 SER 38 -28.571 0.362 7.020 326 2HB SER 38 HB2 SER 38 -29.876 0.308 8.206 327 HG SER 38 HG1 SER 38 -29.540 2.372 6.292 328 H PHE 39 HN PHE 39 -30.126 2.397 5.027 329 HA PHE 39 HA PHE 39 -28.680 1.164 2.735 330 1HB PHE 39 HB1 PHE 39 -30.024 2.432 1.178 331 2HB PHE 39 HB2 PHE 39 -30.729 3.395 2.478 332 HD1 PHE 39 HD2 PHE 39 -32.354 2.368 4.051 333 HD2 PHE 39 HD1 PHE 39 -30.835 0.175 0.732 334 HE1 PHE 39 HE2 PHE 39 -34.095 0.672 4.372 335 HE2 PHE 39 HE1 PHE 39 -32.599 -1.506 1.042 336 HZ PHE 39 HZ PHE 39 -34.224 -1.261 2.869 337 H LYS 40 HN LYS 40 -27.295 2.615 1.605 338 HA LYS 40 HA LYS 40 -26.123 4.632 3.397 339 1HB LYS 40 HB1 LYS 40 -25.338 3.450 0.695 340 2HB LYS 40 HB2 LYS 40 -24.626 3.092 2.248 341 1HG LYS 40 HG1 LYS 40 -24.453 5.768 0.828 342 2HG LYS 40 HG2 LYS 40 -23.159 4.591 0.975 343 1HD LYS 40 HD1 LYS 40 -23.588 4.774 3.539 344 2HD LYS 40 HD2 LYS 40 -24.405 6.279 3.130 345 1HE LYS 40 HE1 LYS 40 -22.044 6.731 3.629 346 2HE LYS 40 HE2 LYS 40 -22.359 7.038 1.927 347 1HZ LYS 40 HZ1 LYS 40 -20.664 5.686 1.535 348 2HZ LYS 40 HZ2 LYS 40 -21.673 4.403 2.006 349 3HZ LYS 40 HZ3 LYS 40 -20.624 5.116 3.136 350 H THR 41 HN THR 41 -28.254 4.516 0.723 351 HA THR 41 HA THR 41 -28.003 7.484 0.417 352 HB THR 41 HB THR 41 -28.286 7.260 -1.970 353 HG1 THR 41 HG1 THR 41 -28.813 4.821 -2.455 354 1HG2 THR 41 HG21 THR 41 -26.587 5.681 -2.656 355 2HG2 THR 41 HG22 THR 41 -27.004 4.552 -1.370 356 3HG2 THR 41 HG23 THR 41 -26.121 6.028 -0.995 357 H LYS 42 HN LYS 42 -29.933 8.575 -0.219 358 HA LYS 42 HA LYS 42 -32.232 7.586 1.199 359 1HB LYS 42 HB1 LYS 42 -31.853 9.980 -0.668 360 2HB LYS 42 HB2 LYS 42 -31.723 10.015 1.085 361 1HG LYS 42 HG1 LYS 42 -34.238 9.437 -0.525 362 2HG LYS 42 HG2 LYS 42 -33.916 10.871 0.436 363 1HD LYS 42 HD1 LYS 42 -33.552 9.114 2.384 364 2HD LYS 42 HD2 LYS 42 -34.548 8.087 1.358 365 1HE LYS 42 HE1 LYS 42 -36.043 9.269 2.839 366 2HE LYS 42 HE2 LYS 42 -36.224 9.987 1.245 367 1HZ LYS 42 HZ1 LYS 42 -34.373 11.079 3.276 368 2HZ LYS 42 HZ2 LYS 42 -35.996 11.567 3.161 369 3HZ LYS 42 HZ3 LYS 42 -34.937 11.827 1.859 370 H GLY 43 HN GLY 43 -31.061 7.277 -1.985 371 1HA GLY 43 HA1 GLY 43 -31.995 6.308 -3.912 372 2HA GLY 43 HA2 GLY 43 -33.524 7.034 -3.427 373 H ASN 44 HN ASN 44 -31.385 4.290 -2.738 374 HA ASN 44 HA ASN 44 -33.217 2.251 -3.044 375 1HB ASN 44 HB1 ASN 44 -31.826 1.066 -1.183 376 2HB ASN 44 HB2 ASN 44 -30.915 2.569 -1.073 377 1HD2 ASN 44 HD21 ASN 44 -31.564 2.865 -4.135 378 2HD2 ASN 44 HD22 ASN 44 -30.371 1.903 -4.866 379 H LEU 45 HN LEU 45 -32.672 4.160 -0.106 380 HA LEU 45 HA LEU 45 -34.347 2.829 1.676 381 1HB LEU 45 HB1 LEU 45 -33.931 5.837 1.246 382 2HB LEU 45 HB2 LEU 45 -33.025 4.804 2.329 383 HG LEU 45 HG LEU 45 -34.539 5.957 3.751 384 1HD1 LEU 45 HD11 LEU 45 -37.095 5.216 2.455 385 2HD1 LEU 45 HD12 LEU 45 -36.128 6.348 1.527 386 3HD1 LEU 45 HD13 LEU 45 -36.598 6.739 3.173 387 1HD2 LEU 45 HD21 LEU 45 -34.446 3.430 4.013 388 2HD2 LEU 45 HD22 LEU 45 -35.996 3.356 3.191 389 3HD2 LEU 45 HD23 LEU 45 -35.858 4.207 4.719 390 H THR 46 HN THR 46 -35.296 5.365 -0.642 391 HA THR 46 HA THR 46 -38.078 5.296 -0.043 392 HB THR 46 HB THR 46 -36.856 5.850 -2.808 393 HG1 THR 46 HG1 THR 46 -35.709 6.901 -1.156 394 1HG2 THR 46 HG21 THR 46 -39.464 5.972 -2.231 395 2HG2 THR 46 HG22 THR 46 -38.729 7.353 -3.040 396 3HG2 THR 46 HG23 THR 46 -39.012 7.398 -1.302 397 H LYS 47 HN LYS 47 -36.099 3.332 -2.188 398 HA LYS 47 HA LYS 47 -38.271 2.057 -3.559 399 1HB LYS 47 HB1 LYS 47 -35.769 0.495 -2.998 400 2HB LYS 47 HB2 LYS 47 -35.557 2.024 -3.843 401 1HG LYS 47 HG1 LYS 47 -37.237 1.320 -5.529 402 2HG LYS 47 HG2 LYS 47 -37.430 -0.215 -4.689 403 1HD LYS 47 HD1 LYS 47 -34.859 -0.456 -4.972 404 2HD LYS 47 HD2 LYS 47 -35.011 0.820 -6.172 405 1HE LYS 47 HE1 LYS 47 -36.291 -1.922 -6.195 406 2HE LYS 47 HE2 LYS 47 -35.219 -1.217 -7.398 407 1HZ LYS 47 HZ1 LYS 47 -37.209 0.553 -7.385 408 2HZ LYS 47 HZ2 LYS 47 -38.065 -0.869 -7.028 409 3HZ LYS 47 HZ3 LYS 47 -37.128 -0.773 -8.441 410 H HIS 48 HN HIS 48 -36.656 1.403 -0.506 411 HA HIS 48 HA HIS 48 -37.894 -1.193 -0.134 412 1HB HIS 48 HB1 HIS 48 -36.654 0.778 1.853 413 2HB HIS 48 HB2 HIS 48 -35.838 -0.588 1.098 414 HD1 HIS 48 HD1 HIS 48 -37.254 -2.917 1.669 415 HD2 HIS 48 HD2 HIS 48 -37.656 0.153 4.339 416 HE1 HIS 48 HE1 HIS 48 -38.074 -3.951 3.729 417 H MET 49 HN MET 49 -38.740 2.107 0.709 418 HA MET 49 HA MET 49 -40.953 1.323 2.427 419 1HB MET 49 HB1 MET 49 -41.533 3.763 2.279 420 2HB MET 49 HB2 MET 49 -40.323 3.964 1.016 421 1HG MET 49 HG1 MET 49 -39.508 4.601 3.286 422 2HG MET 49 HG2 MET 49 -38.548 3.376 2.501 423 1HE MET 49 HE1 MET 49 -41.354 2.989 6.030 424 2HE MET 49 HE2 MET 49 -42.008 2.387 4.506 425 3HE MET 49 HE3 MET 49 -41.456 4.057 4.630 426 H LYS 50 HN LYS 50 -40.611 2.317 -0.953 427 HA LYS 50 HA LYS 50 -43.292 2.657 -1.659 428 1HB LYS 50 HB1 LYS 50 -41.292 1.073 -3.338 429 2HB LYS 50 HB2 LYS 50 -41.197 2.821 -3.165 430 1HG LYS 50 HG1 LYS 50 -43.839 1.638 -3.938 431 2HG LYS 50 HG2 LYS 50 -42.578 1.700 -5.164 432 1HD LYS 50 HD1 LYS 50 -42.303 4.122 -4.777 433 2HD LYS 50 HD2 LYS 50 -43.535 4.070 -3.522 434 1HE LYS 50 HE1 LYS 50 -45.010 2.989 -5.438 435 2HE LYS 50 HE2 LYS 50 -43.849 3.779 -6.498 436 1HZ LYS 50 HZ1 LYS 50 -44.430 5.728 -4.747 437 2HZ LYS 50 HZ2 LYS 50 -45.920 4.922 -4.857 438 3HZ LYS 50 HZ3 LYS 50 -45.179 5.530 -6.259 439 H SER 51 HN SER 51 -41.476 -0.378 -1.407 440 HA SER 51 HA SER 51 -43.453 -2.152 -2.315 441 1HB SER 51 HB1 SER 51 -40.960 -2.504 -1.305 442 2HB SER 51 HB2 SER 51 -42.134 -3.834 -1.272 443 HG SER 51 HG1 SER 51 -41.465 -1.991 0.762 444 H LYS 52 HN LYS 52 -45.195 -3.160 -1.390 445 HA LYS 52 HA LYS 52 -46.561 -1.707 0.703 446 1HB LYS 52 HB1 LYS 52 -47.805 -2.889 -1.083 447 2HB LYS 52 HB2 LYS 52 -48.247 -3.574 0.477 448 1HG LYS 52 HG1 LYS 52 -46.680 -5.430 0.144 449 2HG LYS 52 HG2 LYS 52 -46.127 -4.723 -1.371 450 1HD LYS 52 HD1 LYS 52 -48.559 -4.845 -2.160 451 2HD LYS 52 HD2 LYS 52 -48.873 -5.840 -0.742 452 1HE LYS 52 HE1 LYS 52 -48.369 -7.465 -2.349 453 2HE LYS 52 HE2 LYS 52 -46.801 -7.221 -1.592 454 1HZ LYS 52 HZ1 LYS 52 -46.859 -5.328 -3.525 455 2HZ LYS 52 HZ2 LYS 52 -47.653 -6.634 -4.264 456 3HZ LYS 52 HZ3 LYS 52 -46.085 -6.835 -3.642 457 H ALA 53 HN ALA 53 -43.934 -3.351 1.149 458 HA ALA 53 HA ALA 53 -44.302 -5.478 2.887 459 1HB ALA 53 HB1 ALA 53 -42.377 -3.135 3.302 460 2HB ALA 53 HB2 ALA 53 -42.071 -4.508 2.243 461 3HB ALA 53 HB3 ALA 53 -42.188 -4.747 3.984 462 H HIS 54 HN HIS 54 -43.668 -2.265 4.267 463 HA HIS 54 HA HIS 54 -46.025 -2.532 5.993 464 1HB HIS 54 HB1 HIS 54 -44.637 -3.621 7.505 465 2HB HIS 54 HB2 HIS 54 -44.252 -1.966 7.949 466 HD1 HIS 54 HD1 HIS 54 -42.820 -4.868 6.229 467 HD2 HIS 54 HD2 HIS 54 -41.649 -1.055 7.127 468 HE1 HIS 54 HE1 HIS 54 -40.395 -4.830 5.895 469 H SER 55 HN SER 55 -46.753 -0.647 5.078 470 HA SER 55 HA SER 55 -45.360 1.805 6.050 471 1HB SER 55 HB1 SER 55 -44.778 1.863 3.720 472 2HB SER 55 HB2 SER 55 -46.293 2.789 3.733 473 HG SER 55 HG1 SER 55 -46.280 -0.026 3.539 474 H LYS 56 HN LYS 56 -47.885 0.052 6.540 475 HA LYS 56 HA LYS 56 -49.757 2.381 6.741 476 1HB LYS 56 HB1 LYS 56 -51.611 0.660 6.395 477 2HB LYS 56 HB2 LYS 56 -50.370 -0.528 6.017 478 1HG LYS 56 HG1 LYS 56 -49.705 0.626 4.050 479 2HG LYS 56 HG2 LYS 56 -50.514 2.108 4.543 480 1HD LYS 56 HD1 LYS 56 -52.196 -0.348 4.248 481 2HD LYS 56 HD2 LYS 56 -51.625 0.427 2.775 482 1HE LYS 56 HE1 LYS 56 -52.737 2.452 3.262 483 2HE LYS 56 HE2 LYS 56 -52.885 2.068 4.972 484 1HZ LYS 56 HZ1 LYS 56 -54.415 0.258 4.341 485 2HZ LYS 56 HZ2 LYS 56 -54.348 0.794 2.729 486 3HZ LYS 56 HZ3 LYS 56 -54.995 1.802 3.934 487 H LYS 57 HN LYS 57 -48.427 -0.501 8.150 488 HA LYS 57 HA LYS 57 -50.176 -0.915 10.300 489 1HB LYS 57 HB1 LYS 57 -47.143 -1.059 10.533 490 2HB LYS 57 HB2 LYS 57 -48.055 -2.246 9.609 491 1HG LYS 57 HG1 LYS 57 -49.057 -3.151 11.493 492 2HG LYS 57 HG2 LYS 57 -48.983 -1.637 12.387 493 1HD LYS 57 HD1 LYS 57 -47.380 -3.293 13.299 494 2HD LYS 57 HD2 LYS 57 -46.540 -1.894 12.640 495 1HE LYS 57 HE1 LYS 57 -45.595 -4.177 11.971 496 2HE LYS 57 HE2 LYS 57 -45.940 -3.073 10.645 497 1HZ LYS 57 HZ1 LYS 57 -46.799 -5.586 10.745 498 2HZ LYS 57 HZ2 LYS 57 -47.596 -4.353 9.890 499 3HZ LYS 57 LYS 57 -48.129 -4.793 11.442 Start of MODEL 47 Raw file had 499 H/Q atoms Start of MODEL 47 1 1H LYS 1 HT1 LYS 1 -10.323 -3.063 -11.337 2 2H LYS 1 HT2 LYS 1 -9.884 -4.577 -10.706 3 3H LYS 1 HT3 LYS 1 -8.842 -3.768 -11.775 4 HA LYS 1 HA LYS 1 -8.420 -3.735 -9.219 5 1HB LYS 1 HB1 LYS 1 -7.641 -1.221 -9.620 6 2HB LYS 1 HB2 LYS 1 -8.159 -1.520 -11.275 7 1HG LYS 1 HG1 LYS 1 -6.649 -3.439 -11.445 8 2HG LYS 1 HG2 LYS 1 -6.200 -3.273 -9.753 9 1HD LYS 1 HD1 LYS 1 -4.479 -2.250 -11.177 10 2HD LYS 1 HD2 LYS 1 -5.287 -1.011 -10.225 11 1HE LYS 1 HE1 LYS 1 -6.391 -1.667 -12.938 12 2HE LYS 1 HE2 LYS 1 -4.929 -0.694 -12.843 13 1HZ LYS 1 HZ1 LYS 1 -6.059 1.057 -12.126 14 2HZ LYS 1 HZ2 LYS 1 -6.961 0.151 -11.008 15 3HZ LYS 1 HZ3 LYS 1 -7.458 0.236 -12.630 16 OH TYR 2 OH TYR 2 -7.507 2.806 -8.413 17 H TYR 2 HN TYR 2 -11.350 -2.760 -10.285 18 HA TYR 2 HA TYR 2 -11.928 -1.487 -7.682 19 1HB TYR 2 HB1 TYR 2 -13.120 0.405 -8.837 20 2HB TYR 2 HB2 TYR 2 -12.495 -0.164 -10.379 21 HD1 TYR 2 HD2 TYR 2 -11.494 1.146 -7.054 22 HD2 TYR 2 HD1 TYR 2 -10.245 0.330 -11.036 23 HE1 TYR 2 HE2 TYR 2 -9.438 2.425 -6.673 24 HE2 TYR 2 HE1 TYR 2 -8.182 1.597 -10.649 25 HH TYR 2 HH TYR 2 -6.765 2.212 -8.550 26 H ILE 3 HN ILE 3 -12.703 -3.987 -8.545 27 HA ILE 3 HA ILE 3 -15.622 -3.596 -9.094 28 HB ILE 3 HB ILE 3 -14.045 -6.137 -9.653 29 1HG1 ILE 3 HG11 ILE 3 -12.903 -4.434 -10.920 30 2HG1 ILE 3 HG12 ILE 3 -14.423 -3.713 -11.435 31 1HG2 ILE 3 HG21 ILE 3 -15.941 -6.671 -11.041 32 2HG2 ILE 3 HG22 ILE 3 -16.481 -4.996 -11.088 33 3HG2 ILE 3 HG23 ILE 3 -16.659 -5.935 -9.611 34 1HD1 ILE 3 HD1 ILE 3 -14.932 -5.513 -12.876 35 2HD1 ILE 3 HD2 ILE 3 -13.815 -6.603 -12.057 36 3HD1 ILE 3 HD3 ILE 3 -13.194 -5.317 -13.088 37 H CYS 4 HN CYS 4 -16.885 -4.126 -7.406 38 HA CYS 4 HA CYS 4 -15.769 -5.406 -5.095 39 1HB CYS 4 HB1 CYS 4 -18.618 -4.795 -5.904 40 2HB CYS 4 HB2 CYS 4 -17.623 -3.880 -4.807 41 H GLU 5 HN GLU 5 -15.090 -7.405 -5.335 42 HA GLU 5 HA GLU 5 -16.185 -9.384 -7.010 43 1HB GLU 5 HB1 GLU 5 -15.012 -10.964 -5.273 44 2HB GLU 5 HB2 GLU 5 -14.510 -9.474 -4.482 45 1HG GLU 5 HG1 GLU 5 -13.439 -8.704 -6.561 46 2HG GLU 5 HG2 GLU 5 -13.992 -10.150 -7.400 47 H GLU 6 HN GLU 6 -17.437 -8.138 -4.086 48 HA GLU 6 HA GLU 6 -18.874 -10.554 -3.366 49 1HB GLU 6 HB1 GLU 6 -19.629 -7.814 -2.370 50 2HB GLU 6 HB2 GLU 6 -18.088 -8.490 -1.870 51 1HG GLU 6 HG1 GLU 6 -20.702 -10.006 -1.614 52 2HG GLU 6 HG2 GLU 6 -20.053 -9.001 -0.320 53 H CYS 7 HN CYS 7 -20.025 -7.288 -4.243 54 HA CYS 7 HA CYS 7 -22.635 -8.363 -4.994 55 1HB CYS 7 HB1 CYS 7 -23.134 -6.068 -5.670 56 2HB CYS 7 HB2 CYS 7 -21.447 -5.649 -5.676 57 H GLY 8 HN GLY 8 -20.050 -6.708 -6.753 58 1HA GLY 8 HA1 GLY 8 -20.956 -8.080 -9.251 59 2HA GLY 8 HA2 GLY 8 -19.253 -7.864 -8.858 60 H ILE 9 HN ILE 9 -20.152 -5.164 -7.652 61 HA ILE 9 HA ILE 9 -21.053 -3.593 -9.868 62 HB ILE 9 HB ILE 9 -20.956 -3.120 -7.213 63 1HG1 ILE 9 HG11 ILE 9 -20.650 -1.039 -9.406 64 2HG1 ILE 9 HG12 ILE 9 -21.102 -0.651 -7.753 65 1HG2 ILE 9 HG21 ILE 9 -19.095 -1.735 -6.555 66 2HG2 ILE 9 HG22 ILE 9 -18.562 -1.503 -8.212 67 3HG2 ILE 9 HG23 ILE 9 -18.345 -3.061 -7.425 68 1HD1 ILE 9 HD1 ILE 9 -23.251 -1.108 -8.287 69 2HD1 ILE 9 HD2 ILE 9 -22.800 -2.788 -8.548 70 3HD1 ILE 9 HD3 ILE 9 -22.771 -1.651 -9.890 71 NH1 ARG 10 NH2 ARG 10 -16.835 -3.127 -17.334 72 NH2 ARG 10 NH1 ARG 10 -18.996 -3.104 -16.596 73 H ARG 10 HN ARG 10 -19.909 -2.290 -11.276 74 HA ARG 10 HA ARG 10 -16.953 -2.712 -11.303 75 1HB ARG 10 HB1 ARG 10 -18.671 -2.269 -13.772 76 2HB ARG 10 HB2 ARG 10 -18.493 -3.877 -13.099 77 1HG ARG 10 HG1 ARG 10 -16.704 -3.936 -14.565 78 2HG ARG 10 HG2 ARG 10 -15.871 -3.198 -13.211 79 1HD ARG 10 HD1 ARG 10 -15.453 -1.942 -15.300 80 2HD ARG 10 HD2 ARG 10 -16.337 -0.949 -14.148 81 HE ARG 10 HE ARG 10 -17.994 -0.817 -15.809 82 1HH1 ARG 10 HH21 ARG 10 -15.911 -2.745 -17.291 83 2HH1 ARG 10 HH22 ARG 10 -17.036 -3.880 -17.960 84 1HH2 ARG 10 HH11 ARG 10 -19.694 -2.706 -16.000 85 2HH2 ARG 10 HH12 ARG 10 -19.233 -3.857 -17.210 86 H ABA 11 HN ABU 11 -16.204 -0.807 -10.574 87 HA ABA 11 HA ABU 11 -17.089 1.649 -12.049 88 1HB ABA 11 HB1 ABU 11 -16.819 2.910 -9.963 89 2HB ABA 11 HB2 ABU 11 -16.207 1.496 -9.135 90 1HG ABA 11 HG1 ABU 11 -18.526 1.745 -8.504 91 2HG ABA 11 HG2 ABU 11 -18.428 0.369 -9.596 92 3HG ABA 11 HG3 ABU 11 -19.016 1.917 -10.186 93 H LYS 12 HN LYS 12 -15.328 1.440 -13.457 94 HA LYS 12 HA LYS 12 -12.665 0.955 -12.897 95 1HB LYS 12 HB1 LYS 12 -12.233 2.641 -14.823 96 2HB LYS 12 HB2 LYS 12 -13.972 2.904 -14.830 97 1HG LYS 12 HG1 LYS 12 -14.273 0.407 -15.097 98 2HG LYS 12 HG2 LYS 12 -12.530 0.269 -15.271 99 1HD LYS 12 HD1 LYS 12 -13.505 0.380 -17.500 100 2HD LYS 12 HD2 LYS 12 -12.638 1.880 -17.198 101 1HE LYS 12 HE1 LYS 12 -15.519 1.828 -16.413 102 2HE LYS 12 HE2 LYS 12 -15.171 1.835 -18.136 103 1HZ LYS 12 HZ1 LYS 12 -14.845 3.919 -16.188 104 2HZ LYS 12 HZ2 LYS 12 -15.010 4.020 -17.876 105 3HZ LYS 12 HZ3 LYS 12 -13.489 3.710 -17.188 106 H LYS 13 HN LYS 13 -14.495 3.614 -11.752 107 HA LYS 13 HA LYS 13 -12.048 5.199 -11.247 108 1HB LYS 13 HB1 LYS 13 -13.659 6.981 -10.556 109 2HB LYS 13 HB2 LYS 13 -14.986 5.844 -10.764 110 1HG LYS 13 HG1 LYS 13 -14.472 5.619 -13.146 111 2HG LYS 13 HG2 LYS 13 -13.058 6.650 -12.966 112 1HD LYS 13 HD1 LYS 13 -15.674 7.744 -12.023 113 2HD LYS 13 HD2 LYS 13 -15.431 7.628 -13.763 114 1HE LYS 13 HE1 LYS 13 -13.506 8.970 -11.837 115 2HE LYS 13 HE2 LYS 13 -14.672 9.823 -12.840 116 1HZ LYS 13 HZ1 LYS 13 -13.300 9.717 -14.546 117 2HZ LYS 13 HZ2 LYS 13 -13.155 8.031 -14.411 118 3HZ LYS 13 HZ3 LYS 13 -12.117 9.046 -13.530 119 HA PRO 14 HA PRO 14 -11.852 3.748 -7.026 120 1HB PRO 14 HB1 PRO 14 -9.838 4.727 -6.471 121 2HB PRO 14 HB2 PRO 14 -10.727 6.152 -5.936 122 1HG PRO 14 HG1 PRO 14 -8.969 6.028 -8.154 123 2HG PRO 14 HG2 PRO 14 -10.094 7.341 -7.800 124 1HD PRO 14 HD1 PRO 14 -11.225 6.759 -9.708 125 2HD PRO 14 HD2 PRO 14 -10.260 5.276 -9.871 126 H SER 15 HN SER 15 -12.269 7.272 -6.728 127 HA SER 15 HA SER 15 -13.803 7.589 -4.548 128 1HB SER 15 HB1 SER 15 -13.417 9.500 -6.038 129 2HB SER 15 HB2 SER 15 -15.179 9.343 -5.893 130 HG SER 15 HG1 SER 15 -15.187 8.131 -7.789 131 H MET 16 HN MET 16 -15.133 6.322 -7.588 132 HA MET 16 HA MET 16 -17.821 6.097 -6.556 133 1HB MET 16 HB1 MET 16 -17.940 4.368 -8.540 134 2HB MET 16 HB2 MET 16 -16.302 4.906 -8.901 135 1HG MET 16 HG1 MET 16 -17.336 6.512 -10.103 136 2HG MET 16 HG2 MET 16 -17.508 7.293 -8.553 137 1HE MET 16 HE1 MET 16 -19.058 8.413 -10.722 138 2HE MET 16 HE2 MET 16 -20.589 7.685 -11.206 139 3HE MET 16 HE3 MET 16 -19.066 6.927 -11.671 140 H LEU 17 HN LEU 17 -15.351 3.604 -7.245 141 HA LEU 17 HA LEU 17 -16.745 1.500 -5.927 142 1HB LEU 17 HB1 LEU 17 -13.716 1.759 -6.003 143 2HB LEU 17 HB2 LEU 17 -14.610 1.481 -7.473 144 HG LEU 17 HG LEU 17 -13.752 -0.639 -6.469 145 1HD1 LEU 17 HD11 LEU 17 -14.463 -1.425 -4.358 146 2HD1 LEU 17 HD12 LEU 17 -15.740 -0.227 -4.235 147 3HD1 LEU 17 HD13 LEU 17 -14.061 0.264 -4.087 148 1HD2 LEU 17 HD21 LEU 17 -15.639 -1.898 -6.983 149 2HD2 LEU 17 HD22 LEU 17 -16.063 -0.368 -7.734 150 3HD2 LEU 17 HD23 LEU 17 -16.745 -0.798 -6.175 151 H LYS 18 HN LYS 18 -14.038 3.500 -4.858 152 HA LYS 18 HA LYS 18 -13.552 2.783 -2.308 153 1HB LYS 18 HB1 LYS 18 -14.215 5.699 -2.753 154 2HB LYS 18 HB2 LYS 18 -12.936 4.976 -3.719 155 1HG LYS 18 HG1 LYS 18 -12.890 4.447 -0.782 156 2HG LYS 18 HG2 LYS 18 -12.456 6.068 -1.312 157 1HD LYS 18 HD1 LYS 18 -10.778 5.095 -2.869 158 2HD LYS 18 HD2 LYS 18 -11.200 3.483 -2.302 159 1HE LYS 18 HE1 LYS 18 -10.352 5.639 -0.368 160 2HE LYS 18 HE2 LYS 18 -9.158 4.660 -1.210 161 1HZ LYS 18 HZ1 LYS 18 -10.409 2.681 -0.351 162 2HZ LYS 18 HZ2 LYS 18 -11.266 3.749 0.654 163 3HZ LYS 18 HZ3 LYS 18 -9.583 3.594 0.819 164 H LYS 19 HN LYS 19 -16.318 4.822 -3.235 165 HA LYS 19 HA LYS 19 -17.378 4.878 -0.565 166 1HB LYS 19 HB1 LYS 19 -19.540 5.463 -2.103 167 2HB LYS 19 HB2 LYS 19 -18.277 5.704 -3.305 168 1HG LYS 19 HG1 LYS 19 -17.085 7.132 -1.524 169 2HG LYS 19 HG2 LYS 19 -18.609 7.105 -0.644 170 1HD LYS 19 HD1 LYS 19 -19.771 8.080 -2.576 171 2HD LYS 19 HD2 LYS 19 -18.281 8.047 -3.512 172 1HE LYS 19 HE1 LYS 19 -17.248 9.486 -1.664 173 2HE LYS 19 HE2 LYS 19 -18.880 9.697 -1.042 174 1HZ LYS 19 HZ1 LYS 19 -17.739 10.626 -3.590 175 2HZ LYS 19 HZ2 LYS 19 -18.601 11.501 -2.418 176 3HZ LYS 19 HZ3 LYS 19 -19.416 10.408 -3.431 177 H HIS 20 HN HIS 20 -18.037 2.956 -3.450 178 HA HIS 20 HA HIS 20 -20.312 1.569 -2.517 179 1HB HIS 20 HB1 HIS 20 -18.031 0.572 -4.276 180 2HB HIS 20 HB2 HIS 20 -19.498 1.355 -4.856 181 HD1 HIS 20 HD1 HIS 20 -21.309 -0.309 -5.333 182 HD2 HIS 20 HD2 HIS 20 -18.533 -1.912 -2.826 183 HE1 HIS 20 HE1 HIS 20 -22.013 -2.629 -4.975 184 H ILE 21 HN ILE 21 -16.870 0.689 -2.259 185 HA ILE 21 HA ILE 21 -17.377 -1.698 -0.782 186 HB ILE 21 HB ILE 21 -15.159 -0.737 -1.961 187 1HG1 ILE 21 HG11 ILE 21 -15.471 -2.616 0.371 188 2HG1 ILE 21 HG12 ILE 21 -13.870 -2.300 -0.285 189 1HG2 ILE 21 HG21 ILE 21 -14.547 -0.255 0.992 190 2HG2 ILE 21 HG22 ILE 21 -15.062 1.057 -0.048 191 3HG2 ILE 21 HG23 ILE 21 -13.579 0.201 -0.404 192 1HD1 ILE 21 HD1 ILE 21 -16.022 -2.889 -2.263 193 2HD1 ILE 21 HD2 ILE 21 -15.480 -4.234 -1.266 194 3HD1 ILE 21 HD3 ILE 21 -14.329 -3.365 -2.276 195 NH1 ARG 22 NH1 ARG 22 -17.637 7.011 2.932 196 NH2 ARG 22 NH2 ARG 22 -15.817 7.609 4.178 197 H ARG 22 HN ARG 22 -17.121 1.639 0.198 198 HA ARG 22 HA ARG 22 -16.768 1.057 3.022 199 1HB ARG 22 HB1 ARG 22 -17.741 3.507 3.164 200 2HB ARG 22 HB2 ARG 22 -17.643 3.480 1.406 201 1HG ARG 22 HG1 ARG 22 -15.236 2.902 1.556 202 2HG ARG 22 HG2 ARG 22 -15.337 2.941 3.312 203 1HD ARG 22 HD1 ARG 22 -15.977 5.293 1.495 204 2HD ARG 22 HD2 ARG 22 -14.464 5.087 2.375 205 HE ARG 22 HE ARG 22 -16.263 4.926 4.402 206 1HH1 ARG 22 HH11 ARG 22 -18.164 6.295 2.475 207 2HH1 ARG 22 HH12 ARG 22 -17.952 7.960 2.902 208 1HH2 ARG 22 HH21 ARG 22 -14.981 7.340 4.655 209 2HH2 ARG 22 HH22 ARG 22 -16.102 8.568 4.169 210 H THR 23 HN THR 23 -19.502 1.037 0.899 211 HA THR 23 HA THR 23 -21.464 1.469 2.985 212 HB THR 23 HB THR 23 -21.835 -0.002 0.301 213 HG1 THR 23 HG1 THR 23 -22.430 2.214 -0.274 214 1HG2 THR 23 HG21 THR 23 -24.066 1.545 0.719 215 2HG2 THR 23 HG22 THR 23 -23.660 1.218 2.399 216 3HG2 THR 23 HG23 THR 23 -23.992 -0.113 1.299 217 H HIS 24 HN HIS 24 -19.547 -1.242 2.079 218 HA HIS 24 HA HIS 24 -21.408 -3.247 3.132 219 1HB HIS 24 HB1 HIS 24 -19.196 -4.674 3.056 220 2HB HIS 24 HB2 HIS 24 -18.488 -3.269 2.265 221 HD1 HIS 24 HD1 HIS 24 -21.663 -5.234 1.730 222 HD2 HIS 24 HD2 HIS 24 -18.676 -3.507 -0.435 223 HE1 HIS 24 HE1 HIS 24 -22.213 -5.671 -0.638 224 H THR 25 HN THR 25 -19.959 -0.861 4.687 225 HA THR 25 HA THR 25 -18.914 -2.478 6.944 226 HB THR 25 HB THR 25 -18.278 -0.123 7.791 227 HG1 THR 25 HG1 THR 25 -19.972 0.341 5.724 228 1HG2 THR 25 HG21 THR 25 -16.627 -1.291 6.296 229 2HG2 THR 25 HG22 THR 25 -16.700 0.419 5.883 230 3HG2 THR 25 HG23 THR 25 -17.543 -0.763 4.888 231 H ASP 26 HN ASP 26 -20.143 0.541 7.745 232 HA ASP 26 HA ASP 26 -22.820 -0.379 8.484 233 1HB ASP 26 HB1 ASP 26 -22.315 0.300 10.952 234 2HB ASP 26 HB2 ASP 26 -20.613 0.174 10.518 235 H VAL 27 HN VAL 27 -21.537 1.613 6.875 236 HA VAL 27 HA VAL 27 -22.167 4.133 8.295 237 HB VAL 27 HB VAL 27 -20.057 4.012 7.031 238 1HG1 VAL 27 HG11 VAL 27 -20.037 3.617 4.609 239 2HG1 VAL 27 HG12 VAL 27 -21.785 3.426 4.609 240 3HG1 VAL 27 HG13 VAL 27 -20.774 2.254 5.433 241 1HG2 VAL 27 HG21 VAL 27 -20.278 6.153 6.310 242 2HG2 VAL 27 HG22 VAL 27 -21.981 6.009 6.737 243 3HG2 VAL 27 HG23 VAL 27 -21.457 5.694 5.086 244 NH1 ARG 28 NH2 ARG 28 -26.498 -2.584 4.124 245 NH2 ARG 28 NH1 ARG 28 -24.565 -2.604 2.908 246 H ARG 28 HN ARG 28 -24.403 2.651 7.872 247 HA ARG 28 HA ARG 28 -25.782 4.007 5.590 248 1HB ARG 28 HB1 ARG 28 -27.449 2.072 5.934 249 2HB ARG 28 HB2 ARG 28 -26.256 1.365 7.017 250 1HG ARG 28 HG1 ARG 28 -24.650 1.853 4.922 251 2HG ARG 28 HG2 ARG 28 -26.168 1.690 4.051 252 1HD ARG 28 HD1 ARG 28 -26.478 -0.464 5.526 253 2HD ARG 28 HD2 ARG 28 -24.732 -0.352 5.731 254 HE ARG 28 HE ARG 28 -25.155 -0.107 2.979 255 1HH1 ARG 28 HH21 ARG 28 -27.179 -2.065 4.641 256 2HH1 ARG 28 HH22 ARG 28 -26.600 -3.573 4.016 257 1HH2 ARG 28 HH11 ARG 28 -23.795 -2.100 2.513 258 2HH2 ARG 28 HH12 ARG 28 -24.632 -3.593 2.779 259 HA PRO 29 HA PRO 29 -27.538 5.788 9.507 260 1HB PRO 29 HB1 PRO 29 -27.049 8.019 9.271 261 2HB PRO 29 HB2 PRO 29 -28.230 8.158 7.969 262 1HG PRO 29 HG1 PRO 29 -25.326 8.084 7.758 263 2HG PRO 29 HG2 PRO 29 -26.503 8.345 6.471 264 1HD PRO 29 HD1 PRO 29 -26.223 6.216 5.719 265 2HD PRO 29 HD2 PRO 29 -24.929 6.001 6.909 266 OH TYR 30 OH TYR 30 -29.864 10.834 3.261 267 H TYR 30 HN TYR 30 -28.797 5.637 6.233 268 HA TYR 30 HA TYR 30 -31.534 6.240 7.001 269 1HB TYR 30 HB1 TYR 30 -32.041 5.285 4.692 270 2HB TYR 30 HB2 TYR 30 -30.342 4.856 4.547 271 HD1 TYR 30 HD1 TYR 30 -32.524 7.800 5.312 272 HD2 TYR 30 HD2 TYR 30 -28.852 6.438 3.652 273 HE1 TYR 30 HE1 TYR 30 -32.018 10.079 4.563 274 HE2 TYR 30 HE2 TYR 30 -28.346 8.718 2.903 275 HH TYR 30 HH TYR 30 -30.615 11.392 3.480 276 H HIS 31 HN HIS 31 -32.301 4.918 8.584 277 HA HIS 31 HA HIS 31 -32.205 1.960 8.090 278 1HB HIS 31 HB1 HIS 31 -32.678 1.781 10.549 279 2HB HIS 31 HB2 HIS 31 -32.731 3.537 10.661 280 HD1 HIS 31 HD1 HIS 31 -30.301 0.884 9.819 281 HD2 HIS 31 HD2 HIS 31 -30.293 4.758 11.011 282 HE1 HIS 31 HE1 HIS 31 -27.968 1.396 10.247 283 H CYS 32 HN CYS 32 -34.098 0.838 7.831 284 HA CYS 32 HA CYS 32 -36.500 2.242 7.238 285 1HB CYS 32 HB1 CYS 32 -35.884 -0.640 7.964 286 2HB CYS 32 HB2 CYS 32 -36.325 0.005 6.405 287 H THR 33 HN THR 33 -38.392 2.575 8.436 288 HA THR 33 HA THR 33 -37.925 2.897 11.303 289 HB THR 33 HB THR 33 -40.620 3.260 9.902 290 HG1 THR 33 HG1 THR 33 -39.636 4.674 8.705 291 1HG2 THR 33 HG21 THR 33 -40.879 5.034 11.539 292 2HG2 THR 33 HG22 THR 33 -39.154 5.058 11.888 293 3HG2 THR 33 HG23 THR 33 -40.150 3.725 12.464 294 OH TYR 34 OH TYR 34 -44.592 2.552 9.247 295 H TYR 34 HN TYR 34 -38.329 0.197 9.791 296 HA TYR 34 HA TYR 34 -40.015 -0.979 11.948 297 1HB TYR 34 HB1 TYR 34 -41.172 -2.419 10.298 298 2HB TYR 34 HB2 TYR 34 -40.227 -1.730 8.988 299 HD1 TYR 34 HD2 TYR 34 -40.462 0.825 8.583 300 HD2 TYR 34 HD1 TYR 34 -43.205 -1.409 10.944 301 HE1 TYR 34 HE2 TYR 34 -42.156 2.568 8.267 302 HE2 TYR 34 HE1 TYR 34 -44.898 0.337 10.625 303 HH TYR 34 HH TYR 34 -44.212 3.389 9.523 304 H CYS 35 HN CYS 35 -38.373 -2.146 9.021 305 HA CYS 35 HA CYS 35 -37.377 -4.524 10.252 306 1HB CYS 35 HB1 CYS 35 -35.978 -4.712 8.257 307 2HB CYS 35 HB2 CYS 35 -36.132 -3.013 7.928 308 H ASN 36 HN ASN 36 -34.734 -4.632 9.553 309 HA ASN 36 HA ASN 36 -33.445 -2.670 11.409 310 1HB ASN 36 HB1 ASN 36 -32.446 -5.509 10.973 311 2HB ASN 36 HB2 ASN 36 -33.729 -5.200 12.139 312 1HD2 ASN 36 HD21 ASN 36 -32.353 -5.690 13.975 313 2HD2 ASN 36 HD22 ASN 36 -31.097 -4.652 14.450 314 H PHE 37 HN PHE 37 -33.767 -3.448 8.317 315 HA PHE 37 HA PHE 37 -30.966 -3.563 7.495 316 1HB PHE 37 HB1 PHE 37 -33.245 -2.802 5.655 317 2HB PHE 37 HB2 PHE 37 -33.166 -4.448 6.278 318 HD1 PHE 37 HD2 PHE 37 -30.990 -5.765 5.921 319 HD2 PHE 37 HD1 PHE 37 -31.828 -2.125 3.876 320 HE1 PHE 37 HE2 PHE 37 -29.287 -6.313 4.237 321 HE2 PHE 37 HE1 PHE 37 -30.124 -2.677 2.197 322 HZ PHE 37 HZ PHE 37 -28.854 -4.772 2.376 323 H SER 38 HN SER 38 -30.014 -1.923 6.070 324 HA SER 38 HA SER 38 -31.182 0.775 6.355 325 1HB SER 38 HB1 SER 38 -28.285 0.251 7.127 326 2HB SER 38 HB2 SER 38 -29.583 0.219 8.325 327 HG SER 38 HG1 SER 38 -29.602 2.309 8.235 328 H PHE 39 HN PHE 39 -30.013 2.396 5.070 329 HA PHE 39 HA PHE 39 -28.465 1.189 2.822 330 1HB PHE 39 HB1 PHE 39 -29.860 2.295 1.231 331 2HB PHE 39 HB2 PHE 39 -30.511 3.392 2.448 332 HD1 PHE 39 HD2 PHE 39 -32.008 2.432 4.271 333 HD2 PHE 39 HD1 PHE 39 -30.930 0.191 0.817 334 HE1 PHE 39 HE2 PHE 39 -33.882 0.900 4.678 335 HE2 PHE 39 HE1 PHE 39 -32.816 -1.329 1.219 336 HZ PHE 39 HZ PHE 39 -34.293 -0.975 3.150 337 H LYS 40 HN LYS 40 -27.234 2.766 1.597 338 HA LYS 40 HA LYS 40 -26.061 4.788 3.385 339 1HB LYS 40 HB1 LYS 40 -25.367 3.723 0.604 340 2HB LYS 40 HB2 LYS 40 -24.550 3.352 2.107 341 1HG LYS 40 HG1 LYS 40 -24.590 6.071 0.742 342 2HG LYS 40 HG2 LYS 40 -23.226 4.968 0.820 343 1HD LYS 40 HD1 LYS 40 -23.492 5.095 3.378 344 2HD LYS 40 HD2 LYS 40 -24.502 6.502 3.084 345 1HE LYS 40 HE1 LYS 40 -21.578 6.120 2.456 346 2HE LYS 40 HE2 LYS 40 -22.347 7.429 3.345 347 1HZ LYS 40 HZ1 LYS 40 -22.619 6.908 0.437 348 2HZ LYS 40 HZ2 LYS 40 -21.694 8.142 1.149 349 3HZ LYS 40 HZ3 LYS 40 -23.387 8.161 1.290 350 H THR 41 HN THR 41 -28.337 4.649 0.835 351 HA THR 41 HA THR 41 -28.246 7.635 0.634 352 HB THR 41 HB THR 41 -28.552 7.504 -1.757 353 HG1 THR 41 HG1 THR 41 -29.556 5.020 -0.937 354 1HG2 THR 41 HG21 THR 41 -27.060 4.882 -1.190 355 2HG2 THR 41 HG22 THR 41 -26.280 6.442 -0.949 356 3HG2 THR 41 HG23 THR 41 -26.816 5.964 -2.556 357 H LYS 42 HN LYS 42 -30.224 8.647 0.116 358 HA LYS 42 HA LYS 42 -32.465 7.449 1.471 359 1HB LYS 42 HB1 LYS 42 -32.469 9.927 -0.309 360 2HB LYS 42 HB2 LYS 42 -31.882 9.958 1.349 361 1HG LYS 42 HG1 LYS 42 -34.054 9.278 2.197 362 2HG LYS 42 HG2 LYS 42 -34.655 9.008 0.566 363 1HD LYS 42 HD1 LYS 42 -34.198 11.461 0.094 364 2HD LYS 42 HD2 LYS 42 -33.865 11.659 1.810 365 1HE LYS 42 HE1 LYS 42 -36.108 10.989 2.402 366 2HE LYS 42 HE2 LYS 42 -36.456 10.487 0.752 367 1HZ LYS 42 HZ1 LYS 42 -36.868 12.976 1.878 368 2HZ LYS 42 HZ2 LYS 42 -37.074 12.529 0.252 369 3HZ LYS 42 HZ3 LYS 42 -35.591 13.171 0.776 370 H GLY 43 HN GLY 43 -31.328 7.567 -1.766 371 1HA GLY 43 HA1 GLY 43 -32.222 6.694 -3.755 372 2HA GLY 43 HA2 GLY 43 -33.790 7.257 -3.180 373 H ASN 44 HN ASN 44 -31.445 4.741 -2.253 374 HA ASN 44 HA ASN 44 -33.021 2.530 -2.926 375 1HB ASN 44 HB1 ASN 44 -31.653 1.373 -1.058 376 2HB ASN 44 HB2 ASN 44 -30.944 2.953 -0.739 377 1HD2 ASN 44 HD21 ASN 44 -28.937 3.058 -1.726 378 2HD2 ASN 44 HD22 ASN 44 -28.574 2.463 -3.273 379 H LEU 45 HN LEU 45 -33.000 4.455 0.031 380 HA LEU 45 HA LEU 45 -34.641 2.818 1.629 381 1HB LEU 45 HB1 LEU 45 -34.742 5.879 1.454 382 2HB LEU 45 HB2 LEU 45 -33.478 5.010 2.302 383 HG LEU 45 HG LEU 45 -35.120 5.724 3.935 384 1HD1 LEU 45 HD11 LEU 45 -36.987 5.718 2.030 385 2HD1 LEU 45 HD12 LEU 45 -37.419 5.571 3.727 386 3HD1 LEU 45 HD13 LEU 45 -37.360 4.143 2.708 387 1HD2 LEU 45 HD21 LEU 45 -35.814 2.807 3.613 388 2HD2 LEU 45 HD22 LEU 45 -35.422 3.708 5.069 389 3HD2 LEU 45 HD23 LEU 45 -34.155 3.284 3.929 390 H THR 46 HN THR 46 -35.644 5.495 -0.497 391 HA THR 46 HA THR 46 -38.419 5.210 -0.207 392 HB THR 46 HB THR 46 -36.711 5.999 -2.640 393 HG1 THR 46 HG1 THR 46 -37.955 7.993 -1.786 394 1HG2 THR 46 HG21 THR 46 -38.983 7.185 -3.245 395 2HG2 THR 46 HG22 THR 46 -39.738 6.016 -2.166 396 3HG2 THR 46 HG23 THR 46 -38.889 5.464 -3.606 397 H LYS 47 HN LYS 47 -36.158 3.381 -2.176 398 HA LYS 47 HA LYS 47 -38.097 1.942 -3.706 399 1HB LYS 47 HB1 LYS 47 -35.807 0.273 -3.101 400 2HB LYS 47 HB2 LYS 47 -35.246 1.925 -3.296 401 1HG LYS 47 HG1 LYS 47 -35.195 0.947 -5.489 402 2HG LYS 47 HG2 LYS 47 -36.585 2.021 -5.465 403 1HD LYS 47 HD1 LYS 47 -38.118 0.203 -5.249 404 2HD LYS 47 HD2 LYS 47 -36.847 -0.921 -4.787 405 1HE LYS 47 HE1 LYS 47 -37.614 -1.178 -7.175 406 2HE LYS 47 HE2 LYS 47 -35.892 -0.861 -7.012 407 1HZ LYS 47 HZ1 LYS 47 -37.181 1.599 -7.152 408 2HZ LYS 47 HZ2 LYS 47 -37.823 0.632 -8.393 409 3HZ LYS 47 HZ3 LYS 47 -36.147 0.893 -8.299 410 H HIS 48 HN HIS 48 -36.607 1.296 -0.561 411 HA HIS 48 HA HIS 48 -37.798 -1.296 -0.220 412 1HB HIS 48 HB1 HIS 48 -36.840 0.781 1.817 413 2HB HIS 48 HB2 HIS 48 -35.914 -0.584 1.200 414 HD1 HIS 48 HD1 HIS 48 -37.803 -2.825 1.549 415 HD2 HIS 48 HD2 HIS 48 -37.540 0.092 4.401 416 HE1 HIS 48 HE1 HIS 48 -38.658 -3.844 3.601 417 H MET 49 HN MET 49 -38.800 1.958 0.776 418 HA MET 49 HA MET 49 -41.157 1.096 2.167 419 1HB MET 49 HB1 MET 49 -41.873 3.567 1.567 420 2HB MET 49 HB2 MET 49 -40.252 3.704 0.894 421 1HG MET 49 HG1 MET 49 -39.328 2.921 3.064 422 2HG MET 49 HG2 MET 49 -40.941 2.881 3.721 423 1HE MET 49 HE1 MET 49 -39.454 4.053 5.651 424 2HE MET 49 HE2 MET 49 -41.196 4.330 5.589 425 3HE MET 49 HE3 MET 49 -40.100 5.672 5.922 426 H LYS 50 HN LYS 50 -40.462 1.770 -1.194 427 HA LYS 50 HA LYS 50 -42.975 2.133 -2.307 428 1HB LYS 50 HB1 LYS 50 -41.120 0.075 -3.533 429 2HB LYS 50 HB2 LYS 50 -40.561 1.736 -3.386 430 1HG LYS 50 HG1 LYS 50 -41.625 1.423 -5.573 431 2HG LYS 50 HG2 LYS 50 -42.603 2.507 -4.593 432 1HD LYS 50 HD1 LYS 50 -44.250 0.878 -4.202 433 2HD LYS 50 HD2 LYS 50 -43.154 -0.455 -4.551 434 1HE LYS 50 HE1 LYS 50 -44.837 0.000 -6.382 435 2HE LYS 50 HE2 LYS 50 -43.163 0.070 -6.916 436 1HZ LYS 50 HZ1 LYS 50 -43.695 2.053 -7.716 437 2HZ LYS 50 HZ2 LYS 50 -43.672 2.606 -6.110 438 3HZ LYS 50 HZ3 LYS 50 -45.139 2.139 -6.827 439 H SER 51 HN SER 51 -41.454 -1.041 -1.736 440 HA SER 51 HA SER 51 -43.595 -2.673 -2.467 441 1HB SER 51 HB1 SER 51 -41.719 -3.055 -0.065 442 2HB SER 51 HB2 SER 51 -41.369 -3.559 -1.730 443 HG SER 51 HG1 SER 51 -42.463 -5.110 -0.180 444 H LYS 52 HN LYS 52 -45.369 -3.545 -1.385 445 HA LYS 52 HA LYS 52 -46.535 -1.740 0.609 446 1HB LYS 52 HB1 LYS 52 -48.108 -2.544 -1.006 447 2HB LYS 52 HB2 LYS 52 -48.457 -3.522 0.412 448 1HG LYS 52 HG1 LYS 52 -48.196 -5.295 -0.999 449 2HG LYS 52 HG2 LYS 52 -46.473 -4.998 -0.802 450 1HD LYS 52 HD1 LYS 52 -46.522 -3.480 -2.773 451 2HD LYS 52 HD2 LYS 52 -48.240 -3.807 -2.973 452 1HE LYS 52 HE1 LYS 52 -46.428 -6.174 -2.816 453 2HE LYS 52 HE2 LYS 52 -46.354 -5.211 -4.285 454 1HZ LYS 52 HZ1 LYS 52 -48.643 -6.680 -3.156 455 2HZ LYS 52 HZ2 LYS 52 -47.992 -6.754 -4.723 456 3HZ LYS 52 HZ3 LYS 52 -48.887 -5.395 -4.239 457 H ALA 53 HN ALA 53 -44.231 -3.082 1.527 458 HA ALA 53 HA ALA 53 -44.978 -5.373 3.138 459 1HB ALA 53 HB1 ALA 53 -42.634 -5.087 2.542 460 2HB ALA 53 HB2 ALA 53 -42.734 -4.823 4.281 461 3HB ALA 53 HB3 ALA 53 -42.608 -3.449 3.188 462 H HIS 54 HN HIS 54 -43.881 -2.152 4.215 463 HA HIS 54 HA HIS 54 -46.130 -1.961 6.057 464 1HB HIS 54 HB1 HIS 54 -44.846 -3.292 7.520 465 2HB HIS 54 HB2 HIS 54 -44.349 -1.676 8.000 466 HD1 HIS 54 HD1 HIS 54 -43.036 -4.720 6.521 467 HD2 HIS 54 HD2 HIS 54 -41.713 -0.882 7.000 468 HE1 HIS 54 HE1 HIS 54 -40.608 -4.812 6.191 469 H SER 55 HN SER 55 -46.564 0.006 5.138 470 HA SER 55 HA SER 55 -44.705 2.187 5.944 471 1HB SER 55 HB1 SER 55 -44.851 3.224 3.720 472 2HB SER 55 HB2 SER 55 -46.042 2.020 3.188 473 HG SER 55 HG1 SER 55 -44.385 0.431 3.806 474 H LYS 56 HN LYS 56 -46.830 1.693 7.434 475 HA LYS 56 HA LYS 56 -49.278 2.929 6.567 476 1HB LYS 56 HB1 LYS 56 -49.756 2.983 9.073 477 2HB LYS 56 HB2 LYS 56 -48.110 2.422 9.346 478 1HG LYS 56 HG1 LYS 56 -48.561 0.396 8.024 479 2HG LYS 56 HG2 LYS 56 -50.192 0.965 7.682 480 1HD LYS 56 HD1 LYS 56 -50.938 0.545 9.833 481 2HD LYS 56 HD2 LYS 56 -49.355 0.828 10.549 482 1HE LYS 56 HE1 LYS 56 -49.991 -1.570 8.803 483 2HE LYS 56 HE2 LYS 56 -50.096 -1.599 10.559 484 1HZ LYS 56 HZ1 LYS 56 -47.973 -2.226 10.413 485 2HZ LYS 56 HZ2 LYS 56 -47.660 -0.571 10.195 486 3HZ LYS 56 HZ3 LYS 56 -47.770 -1.599 8.847 487 H LYS 57 HN LYS 57 -47.972 4.225 9.488 488 HA LYS 57 HA LYS 57 -48.619 6.885 8.879 489 1HB LYS 57 HB1 LYS 57 -46.331 5.980 10.685 490 2HB LYS 57 HB2 LYS 57 -48.022 5.911 11.166 491 1HG LYS 57 HG1 LYS 57 -48.238 8.337 10.855 492 2HG LYS 57 HG2 LYS 57 -46.577 8.432 10.282 493 1HD LYS 57 HD1 LYS 57 -47.054 7.144 12.939 494 2HD LYS 57 HD2 LYS 57 -47.197 8.895 12.845 495 1HE LYS 57 HE1 LYS 57 -44.819 7.518 11.614 496 2HE LYS 57 HE2 LYS 57 -44.848 7.832 13.344 497 1HZ LYS 57 HZ1 LYS 57 -45.664 10.174 12.183 498 2HZ LYS 57 HZ2 LYS 57 -44.392 9.633 11.196 499 3HZ LYS 57 LYS 57 -44.141 9.853 12.861 Start of MODEL 48 Raw file had 499 H/Q atoms Start of MODEL 48 1 1H LYS 1 HT1 LYS 1 -10.398 -5.158 -12.750 2 2H LYS 1 HT2 LYS 1 -10.375 -3.840 -11.680 3 3H LYS 1 HT3 LYS 1 -11.820 -4.276 -12.460 4 HA LYS 1 HA LYS 1 -11.826 -6.399 -11.300 5 1HB LYS 1 HB1 LYS 1 -9.470 -6.715 -10.822 6 2HB LYS 1 HB2 LYS 1 -10.236 -6.458 -9.259 7 1HG LYS 1 HG1 LYS 1 -9.650 -4.017 -9.444 8 2HG LYS 1 HG2 LYS 1 -8.757 -4.387 -10.914 9 1HD LYS 1 HD1 LYS 1 -7.407 -6.056 -9.580 10 2HD LYS 1 HD2 LYS 1 -8.211 -5.465 -8.130 11 1HE LYS 1 HE1 LYS 1 -7.432 -3.116 -8.875 12 2HE LYS 1 HE2 LYS 1 -6.359 -3.958 -9.985 13 1HZ LYS 1 HZ1 LYS 1 -6.264 -3.781 -7.084 14 2HZ LYS 1 HZ2 LYS 1 -4.999 -3.853 -8.214 15 3HZ LYS 1 HZ3 LYS 1 -5.819 -5.271 -7.767 16 OH TYR 2 OH TYR 2 -8.383 0.417 -9.483 17 H TYR 2 HN TYR 2 -12.781 -3.556 -11.300 18 HA TYR 2 HA TYR 2 -13.361 -3.162 -8.413 19 1HB TYR 2 HB1 TYR 2 -14.339 -0.995 -9.199 20 2HB TYR 2 HB2 TYR 2 -14.047 -1.473 -10.869 21 HD1 TYR 2 HD2 TYR 2 -12.342 -0.769 -7.639 22 HD2 TYR 2 HD1 TYR 2 -11.890 -1.194 -11.847 23 HE1 TYR 2 HE2 TYR 2 -10.051 0.090 -7.479 24 HE2 TYR 2 HE1 TYR 2 -9.599 -0.339 -11.687 25 HH TYR 2 HH TYR 2 -7.780 -0.322 -9.590 26 H ILE 3 HN ILE 3 -14.550 -5.414 -9.203 27 HA ILE 3 HA ILE 3 -17.394 -4.671 -9.752 28 HB ILE 3 HB ILE 3 -16.138 -7.441 -9.918 29 1HG1 ILE 3 HG11 ILE 3 -15.891 -5.128 -11.731 30 2HG1 ILE 3 HG12 ILE 3 -16.467 -6.593 -12.518 31 1HG2 ILE 3 HG21 ILE 3 -18.651 -7.223 -9.839 32 2HG2 ILE 3 HG22 ILE 3 -18.105 -7.849 -11.391 33 3HG2 ILE 3 HG23 ILE 3 -18.588 -6.162 -11.242 34 1HD1 ILE 3 HD1 ILE 3 -14.073 -6.594 -10.665 35 2HD1 ILE 3 HD2 ILE 3 -13.919 -6.306 -12.396 36 3HD1 ILE 3 HD3 ILE 3 -14.552 -7.841 -11.812 37 H CYS 4 HN CYS 4 -18.379 -4.393 -7.789 38 HA CYS 4 HA CYS 4 -17.635 -5.551 -5.364 39 1HB CYS 4 HB1 CYS 4 -20.283 -4.660 -6.463 40 2HB CYS 4 HB2 CYS 4 -19.315 -3.907 -5.232 41 H GLU 5 HN GLU 5 -17.655 -7.515 -4.585 42 HA GLU 5 HA GLU 5 -18.442 -9.764 -6.149 43 1HB GLU 5 HB1 GLU 5 -17.952 -11.044 -4.025 44 2HB GLU 5 HB2 GLU 5 -17.805 -9.510 -3.177 45 1HG GLU 5 HG1 GLU 5 -16.154 -9.100 -5.337 46 2HG GLU 5 HG2 GLU 5 -15.916 -10.819 -5.033 47 H GLU 6 HN GLU 6 -20.262 -7.743 -4.071 48 HA GLU 6 HA GLU 6 -22.279 -9.831 -3.613 49 1HB GLU 6 HB1 GLU 6 -22.391 -6.928 -2.719 50 2HB GLU 6 HB2 GLU 6 -21.521 -8.156 -1.808 51 1HG GLU 6 HG1 GLU 6 -23.613 -9.498 -1.657 52 2HG GLU 6 HG2 GLU 6 -24.473 -8.225 -2.518 53 H CYS 7 HN CYS 7 -22.638 -6.400 -4.440 54 HA CYS 7 HA CYS 7 -25.079 -6.933 -5.893 55 1HB CYS 7 HB1 CYS 7 -25.195 -4.611 -6.212 56 2HB CYS 7 HB2 CYS 7 -23.466 -4.430 -6.273 57 H GLY 8 HN GLY 8 -21.738 -6.227 -6.845 58 1HA GLY 8 HA1 GLY 8 -22.406 -7.234 -9.562 59 2HA GLY 8 HA2 GLY 8 -20.786 -7.103 -8.893 60 H ILE 9 HN ILE 9 -21.824 -4.319 -7.891 61 HA ILE 9 HA ILE 9 -22.318 -2.686 -10.130 62 HB ILE 9 HB ILE 9 -22.315 -2.127 -7.558 63 1HG1 ILE 9 HG11 ILE 9 -22.897 -0.543 -9.396 64 2HG1 ILE 9 HG12 ILE 9 -21.200 -0.104 -9.537 65 1HG2 ILE 9 HG21 ILE 9 -20.265 -1.223 -6.674 66 2HG2 ILE 9 HG22 ILE 9 -19.525 -1.095 -8.259 67 3HG2 ILE 9 HG23 ILE 9 -19.743 -2.668 -7.510 68 1HD1 ILE 9 HD1 ILE 9 -22.643 1.428 -8.073 69 2HD1 ILE 9 HD2 ILE 9 -21.163 0.831 -7.331 70 3HD1 ILE 9 HD3 ILE 9 -22.711 0.100 -6.920 71 NH1 ARG 10 NH1 ARG 10 -18.626 -3.553 -18.404 72 NH2 ARG 10 NH2 ARG 10 -20.764 -2.995 -17.822 73 H ARG 10 HN ARG 10 -21.045 -1.726 -11.647 74 HA ARG 10 HA ARG 10 -18.172 -2.555 -11.643 75 1HB ARG 10 HB1 ARG 10 -19.813 -1.576 -14.017 76 2HB ARG 10 HB2 ARG 10 -19.784 -3.267 -13.539 77 1HG ARG 10 HG1 ARG 10 -17.204 -3.075 -13.669 78 2HG ARG 10 HG2 ARG 10 -17.482 -1.563 -14.523 79 1HD ARG 10 HD1 ARG 10 -18.651 -4.244 -15.343 80 2HD ARG 10 HD2 ARG 10 -17.229 -3.506 -16.076 81 HE ARG 10 HE ARG 10 -19.288 -1.583 -16.216 82 1HH1 ARG 10 HH11 ARG 10 -17.651 -3.554 -18.183 83 2HH1 ARG 10 HH12 ARG 10 -18.945 -3.958 -19.261 84 1HH2 ARG 10 HH21 ARG 10 -21.391 -2.578 -17.163 85 2HH2 ARG 10 HH22 ARG 10 -21.119 -3.391 -18.669 86 H ABA 11 HN ABU 11 -16.898 -0.986 -10.947 87 HA ABA 11 HA ABU 11 -17.309 1.762 -12.060 88 1HB ABA 11 HB1 ABU 11 -16.672 2.692 -9.875 89 2HB ABA 11 HB2 ABU 11 -16.400 1.092 -9.227 90 1HG ABA 11 HG1 ABU 11 -19.043 2.309 -10.061 91 2HG ABA 11 HG2 ABU 11 -18.571 1.775 -8.451 92 3HG ABA 11 HG3 ABU 11 -18.850 0.593 -9.725 93 H LYS 12 HN LYS 12 -15.669 1.625 -13.522 94 HA LYS 12 HA LYS 12 -13.175 0.401 -13.220 95 1HB LYS 12 HB1 LYS 12 -12.504 2.448 -14.837 96 2HB LYS 12 HB2 LYS 12 -14.248 2.676 -14.864 97 1HG LYS 12 HG1 LYS 12 -12.813 0.080 -15.511 98 2HG LYS 12 HG2 LYS 12 -13.509 1.178 -16.696 99 1HD LYS 12 HD1 LYS 12 -15.736 0.892 -15.544 100 2HD LYS 12 HD2 LYS 12 -14.998 -0.348 -14.536 101 1HE LYS 12 HE1 LYS 12 -16.180 -1.285 -16.544 102 2HE LYS 12 HE2 LYS 12 -14.471 -1.698 -16.493 103 1HZ LYS 12 HZ1 LYS 12 -15.145 0.763 -17.875 104 2HZ LYS 12 HZ2 LYS 12 -15.665 -0.672 -18.621 105 3HZ LYS 12 HZ3 LYS 12 -14.018 -0.443 -18.278 106 H LYS 13 HN LYS 13 -14.313 3.133 -11.528 107 HA LYS 13 HA LYS 13 -11.535 4.038 -10.993 108 1HB LYS 13 HB1 LYS 13 -12.812 5.989 -9.849 109 2HB LYS 13 HB2 LYS 13 -14.255 5.308 -10.588 110 1HG LYS 13 HG1 LYS 13 -13.172 5.468 -12.819 111 2HG LYS 13 HG2 LYS 13 -11.753 6.187 -12.067 112 1HD LYS 13 HD1 LYS 13 -12.885 8.123 -12.640 113 2HD LYS 13 HD2 LYS 13 -13.591 7.847 -11.052 114 1HE LYS 13 HE1 LYS 13 -15.513 8.110 -12.346 115 2HE LYS 13 HE2 LYS 13 -15.310 6.364 -12.407 116 1HZ LYS 13 HZ1 LYS 13 -13.904 7.885 -14.442 117 2HZ LYS 13 HZ2 LYS 13 -15.599 7.877 -14.558 118 3HZ LYS 13 HZ3 LYS 13 -14.741 6.411 -14.564 119 HA PRO 14 HA PRO 14 -11.624 2.206 -6.936 120 1HB PRO 14 HB1 PRO 14 -9.442 2.719 -6.372 121 2HB PRO 14 HB2 PRO 14 -10.052 4.192 -5.616 122 1HG PRO 14 HG1 PRO 14 -8.371 4.080 -7.885 123 2HG PRO 14 HG2 PRO 14 -9.260 5.501 -7.333 124 1HD PRO 14 HD1 PRO 14 -10.486 5.365 -9.268 125 2HD PRO 14 HD2 PRO 14 -9.779 3.782 -9.645 126 H SER 15 HN SER 15 -11.354 5.701 -6.322 127 HA SER 15 HA SER 15 -12.782 6.056 -4.054 128 1HB SER 15 HB1 SER 15 -12.012 8.037 -5.222 129 2HB SER 15 HB2 SER 15 -13.779 8.196 -5.235 130 HG SER 15 HG1 SER 15 -12.128 7.072 -7.255 131 H MET 16 HN MET 16 -14.280 5.438 -7.202 132 HA MET 16 HA MET 16 -16.975 5.687 -6.203 133 1HB MET 16 HB1 MET 16 -17.436 4.265 -8.355 134 2HB MET 16 HB2 MET 16 -15.708 4.421 -8.658 135 1HG MET 16 HG1 MET 16 -16.891 6.203 -9.803 136 2HG MET 16 HG2 MET 16 -15.904 6.865 -8.528 137 1HE MET 16 HE1 MET 16 -18.395 8.454 -10.138 138 2HE MET 16 HE2 MET 16 -16.971 8.924 -9.207 139 3HE MET 16 HE3 MET 16 -18.570 9.486 -8.718 140 H LEU 17 HN LEU 17 -14.984 2.824 -7.031 141 HA LEU 17 HA LEU 17 -16.895 0.984 -5.928 142 1HB LEU 17 HB1 LEU 17 -13.909 0.459 -6.101 143 2HB LEU 17 HB2 LEU 17 -14.865 0.568 -7.561 144 HG LEU 17 HG LEU 17 -14.582 -1.795 -6.754 145 1HD1 LEU 17 HD11 LEU 17 -15.524 -2.558 -4.715 146 2HD1 LEU 17 HD12 LEU 17 -16.407 -1.064 -4.455 147 3HD1 LEU 17 HD13 LEU 17 -14.657 -1.088 -4.292 148 1HD2 LEU 17 HD21 LEU 17 -16.735 -0.807 -7.944 149 2HD2 LEU 17 HD22 LEU 17 -17.512 -1.190 -6.420 150 3HD2 LEU 17 HD23 LEU 17 -16.729 -2.458 -7.350 151 H LYS 18 HN LYS 18 -13.706 2.026 -4.775 152 HA LYS 18 HA LYS 18 -13.448 0.951 -2.317 153 1HB LYS 18 HB1 LYS 18 -13.112 3.881 -3.097 154 2HB LYS 18 HB2 LYS 18 -11.866 2.638 -3.075 155 1HG LYS 18 HG1 LYS 18 -12.690 2.499 -0.496 156 2HG LYS 18 HG2 LYS 18 -13.030 4.195 -0.823 157 1HD LYS 18 HD1 LYS 18 -10.371 2.793 -1.266 158 2HD LYS 18 HD2 LYS 18 -10.730 3.942 0.018 159 1HE LYS 18 HE1 LYS 18 -9.895 5.473 -1.461 160 2HE LYS 18 HE2 LYS 18 -11.503 5.380 -2.167 161 1HZ LYS 18 HZ1 LYS 18 -9.395 5.025 -3.618 162 2HZ LYS 18 HZ2 LYS 18 -10.786 4.087 -3.880 163 3HZ LYS 18 HZ3 LYS 18 -9.477 3.440 -3.012 164 H LYS 19 HN LYS 19 -15.508 3.795 -2.927 165 HA LYS 19 HA LYS 19 -16.495 3.824 -0.222 166 1HB LYS 19 HB1 LYS 19 -18.236 5.415 -1.278 167 2HB LYS 19 HB2 LYS 19 -17.414 5.147 -2.811 168 1HG LYS 19 HG1 LYS 19 -15.350 6.066 -1.956 169 2HG LYS 19 HG2 LYS 19 -15.981 6.103 -0.312 170 1HD LYS 19 HD1 LYS 19 -17.752 7.712 -1.095 171 2HD LYS 19 HD2 LYS 19 -16.954 7.758 -2.663 172 1HE LYS 19 HE1 LYS 19 -16.158 9.640 -1.336 173 2HE LYS 19 HE2 LYS 19 -14.845 8.484 -1.511 174 1HZ LYS 19 HZ1 LYS 19 -14.757 8.205 0.664 175 2HZ LYS 19 HZ2 LYS 19 -16.424 7.895 0.772 176 3HZ LYS 19 HZ3 LYS 19 -15.852 9.493 0.832 177 H HIS 20 HN HIS 20 -17.679 2.553 -3.300 178 HA HIS 20 HA HIS 20 -20.296 1.864 -2.495 179 1HB HIS 20 HB1 HIS 20 -18.385 0.372 -4.339 180 2HB HIS 20 HB2 HIS 20 -19.560 1.582 -4.846 181 HD1 HIS 20 HD1 HIS 20 -21.783 0.559 -5.387 182 HD2 HIS 20 HD2 HIS 20 -19.556 -1.990 -3.131 183 HE1 HIS 20 HE1 HIS 20 -23.107 -1.496 -5.226 184 H ILE 21 HN ILE 21 -17.305 -0.053 -2.329 185 HA ILE 21 HA ILE 21 -18.566 -2.265 -1.043 186 HB ILE 21 HB ILE 21 -16.393 -2.545 -2.124 187 1HG1 ILE 21 HG11 ILE 21 -16.974 -3.467 0.477 188 2HG1 ILE 21 HG12 ILE 21 -15.294 -2.957 0.533 189 1HG2 ILE 21 HG21 ILE 21 -15.449 -0.539 -0.014 190 2HG2 ILE 21 HG22 ILE 21 -15.450 -0.315 -1.759 191 3HG2 ILE 21 HG23 ILE 21 -14.355 -1.476 -1.023 192 1HD1 ILE 21 HD1 ILE 21 -16.557 -4.875 -1.449 193 2HD1 ILE 21 HD2 ILE 21 -15.391 -5.277 -0.192 194 3HD1 ILE 21 HD3 ILE 21 -14.901 -4.288 -1.564 195 NH1 ARG 22 NH2 ARG 22 -15.743 2.980 5.267 196 NH2 ARG 22 NH1 ARG 22 -14.048 4.413 5.810 197 H ARG 22 HN ARG 22 -17.202 0.719 0.215 198 HA ARG 22 HA ARG 22 -17.100 -0.135 2.955 199 1HB ARG 22 HB1 ARG 22 -17.436 2.459 3.325 200 2HB ARG 22 HB2 ARG 22 -17.331 2.560 1.573 201 1HG ARG 22 HG1 ARG 22 -15.149 1.367 1.650 202 2HG ARG 22 HG2 ARG 22 -15.253 1.315 3.405 203 1HD ARG 22 HD1 ARG 22 -15.726 4.013 2.663 204 2HD ARG 22 HD2 ARG 22 -14.336 3.476 1.721 205 HE ARG 22 HE ARG 22 -13.102 3.279 3.741 206 1HH1 ARG 22 HH21 ARG 22 -16.157 2.357 4.603 207 2HH1 ARG 22 HH22 ARG 22 -16.182 3.132 6.152 208 1HH2 ARG 22 HH11 ARG 22 -13.193 4.864 5.555 209 2HH2 ARG 22 HH12 ARG 22 -14.459 4.589 6.705 210 H THR 23 HN THR 23 -19.734 0.764 0.889 211 HA THR 23 HA THR 23 -21.585 1.502 2.971 212 HB THR 23 HB THR 23 -22.052 0.331 0.163 213 HG1 THR 23 HG1 THR 23 -21.855 2.861 1.408 214 1HG2 THR 23 HG21 THR 23 -24.200 0.082 1.198 215 2HG2 THR 23 HG22 THR 23 -24.276 1.755 0.656 216 3HG2 THR 23 HG23 THR 23 -23.897 1.387 2.338 217 H HIS 24 HN HIS 24 -20.600 -1.608 1.653 218 HA HIS 24 HA HIS 24 -22.778 -3.101 2.835 219 1HB HIS 24 HB1 HIS 24 -21.102 -5.064 2.511 220 2HB HIS 24 HB2 HIS 24 -19.985 -3.869 1.855 221 HD1 HIS 24 HD1 HIS 24 -23.613 -4.677 1.169 222 HD2 HIS 24 HD2 HIS 24 -20.185 -3.813 -0.853 223 HE1 HIS 24 HE1 HIS 24 -24.224 -4.698 -1.230 224 H THR 25 HN THR 25 -20.885 -1.227 4.495 225 HA THR 25 HA THR 25 -20.031 -3.188 6.552 226 HB THR 25 HB THR 25 -18.973 -1.079 7.563 227 HG1 THR 25 HG1 THR 25 -20.645 -0.125 5.617 228 1HG2 THR 25 HG21 THR 25 -18.528 -1.584 4.577 229 2HG2 THR 25 HG22 THR 25 -17.552 -2.235 5.891 230 3HG2 THR 25 HG23 THR 25 -17.501 -0.512 5.526 231 H ASP 26 HN ASP 26 -20.701 -0.108 7.709 232 HA ASP 26 HA ASP 26 -23.442 -0.744 8.557 233 1HB ASP 26 HB1 ASP 26 -22.937 -0.621 10.935 234 2HB ASP 26 HB2 ASP 26 -21.290 -0.083 10.619 235 H VAL 27 HN VAL 27 -22.025 1.186 6.932 236 HA VAL 27 HA VAL 27 -22.453 3.704 8.454 237 HB VAL 27 HB VAL 27 -20.303 3.422 7.258 238 1HG1 VAL 27 HG11 VAL 27 -21.966 3.213 4.730 239 2HG1 VAL 27 HG12 VAL 27 -21.205 1.853 5.527 240 3HG1 VAL 27 HG13 VAL 27 -20.212 3.128 4.842 241 1HG2 VAL 27 HG21 VAL 27 -22.044 5.611 7.013 242 2HG2 VAL 27 HG22 VAL 27 -21.402 5.369 5.390 243 3HG2 VAL 27 HG23 VAL 27 -20.305 5.626 6.741 244 NH1 ARG 28 NH2 ARG 28 -26.523 -2.012 2.344 245 NH2 ARG 28 NH1 ARG 28 -25.004 -2.883 3.812 246 H ARG 28 HN ARG 28 -24.736 2.341 7.825 247 HA ARG 28 HA ARG 28 -25.930 3.920 5.586 248 1HB ARG 28 HB1 ARG 28 -27.677 2.017 5.674 249 2HB ARG 28 HB2 ARG 28 -26.559 1.183 6.744 250 1HG ARG 28 HG1 ARG 28 -24.902 1.934 4.681 251 2HG ARG 28 HG2 ARG 28 -26.401 1.591 3.833 252 1HD ARG 28 HD1 ARG 28 -26.481 -0.591 5.229 253 2HD ARG 28 HD2 ARG 28 -24.785 -0.267 5.589 254 HE ARG 28 HE ARG 28 -24.664 -0.126 2.933 255 1HH1 ARG 28 HH21 ARG 28 -26.940 -1.208 1.920 256 2HH1 ARG 28 HH22 ARG 28 -26.827 -2.928 2.084 257 1HH2 ARG 28 HH11 ARG 28 -24.284 -2.731 4.491 258 2HH2 ARG 28 HH12 ARG 28 -25.283 -3.814 3.579 259 HA PRO 29 HA PRO 29 -27.825 5.417 9.546 260 1HB PRO 29 HB1 PRO 29 -27.309 7.653 9.514 261 2HB PRO 29 HB2 PRO 29 -28.398 7.912 8.150 262 1HG PRO 29 HG1 PRO 29 -25.479 7.764 8.133 263 2HG PRO 29 HG2 PRO 29 -26.560 8.187 6.803 264 1HD PRO 29 HD1 PRO 29 -26.323 6.121 5.879 265 2HD PRO 29 HD2 PRO 29 -25.094 5.757 7.101 266 OH TYR 30 OH TYR 30 -29.834 10.836 3.126 267 H TYR 30 HN TYR 30 -28.959 5.735 6.203 268 HA TYR 30 HA TYR 30 -31.697 6.295 6.847 269 1HB TYR 30 HB1 TYR 30 -32.128 5.324 4.517 270 2HB TYR 30 HB2 TYR 30 -30.430 4.876 4.450 271 HD1 TYR 30 HD1 TYR 30 -32.585 7.861 5.145 272 HD2 TYR 30 HD2 TYR 30 -28.907 6.427 3.557 273 HE1 TYR 30 HE1 TYR 30 -32.026 10.125 4.389 274 HE2 TYR 30 HE2 TYR 30 -28.349 8.691 2.805 275 HH TYR 30 HH TYR 30 -29.678 10.805 2.179 276 H HIS 31 HN HIS 31 -31.907 4.834 8.703 277 HA HIS 31 HA HIS 31 -32.133 1.952 8.065 278 1HB HIS 31 HB1 HIS 31 -32.896 2.055 10.637 279 2HB HIS 31 HB2 HIS 31 -32.165 3.654 10.570 280 HD1 HIS 31 HD1 HIS 31 -31.266 0.161 10.656 281 HD2 HIS 31 HD2 HIS 31 -29.343 3.667 9.964 282 HE1 HIS 31 HE1 HIS 31 -28.905 -0.379 10.823 283 H CYS 32 HN CYS 32 -34.046 0.859 7.903 284 HA CYS 32 HA CYS 32 -36.429 2.307 7.306 285 1HB CYS 32 HB1 CYS 32 -35.788 -0.575 7.968 286 2HB CYS 32 HB2 CYS 32 -36.275 0.098 6.434 287 H THR 33 HN THR 33 -38.302 2.660 8.514 288 HA THR 33 HA THR 33 -37.848 2.923 11.388 289 HB THR 33 HB THR 33 -40.280 3.505 9.598 290 HG1 THR 33 HG1 THR 33 -38.687 4.954 9.290 291 1HG2 THR 33 HG21 THR 33 -39.825 3.675 12.590 292 2HG2 THR 33 HG22 THR 33 -41.341 3.429 11.729 293 3HG2 THR 33 HG23 THR 33 -40.632 5.039 11.822 294 OH TYR 34 OH TYR 34 -44.438 2.720 9.160 295 H TYR 34 HN TYR 34 -38.268 0.242 9.847 296 HA TYR 34 HA TYR 34 -39.995 -0.927 11.972 297 1HB TYR 34 HB1 TYR 34 -41.162 -2.330 10.307 298 2HB TYR 34 HB2 TYR 34 -40.176 -1.675 9.010 299 HD1 TYR 34 HD2 TYR 34 -40.333 0.904 8.611 300 HD2 TYR 34 HD1 TYR 34 -43.190 -1.272 10.890 301 HE1 TYR 34 HE2 TYR 34 -41.980 2.678 8.238 302 HE2 TYR 34 HE1 TYR 34 -44.832 0.512 10.521 303 HH TYR 34 HH TYR 34 -44.157 3.232 8.397 304 H CYS 35 HN CYS 35 -38.334 -2.130 9.066 305 HA CYS 35 HA CYS 35 -37.369 -4.496 10.374 306 1HB CYS 35 HB1 CYS 35 -36.064 -4.831 8.365 307 2HB CYS 35 HB2 CYS 35 -36.082 -3.133 7.989 308 H ASN 36 HN ASN 36 -34.720 -4.584 9.531 309 HA ASN 36 HA ASN 36 -33.401 -2.632 11.373 310 1HB ASN 36 HB1 ASN 36 -32.739 -5.579 10.866 311 2HB ASN 36 HB2 ASN 36 -33.455 -4.933 12.341 312 1HD2 ASN 36 HD21 ASN 36 -31.691 -2.443 12.039 313 2HD2 ASN 36 HD22 ASN 36 -30.166 -2.941 12.590 314 H PHE 37 HN PHE 37 -33.793 -3.450 8.261 315 HA PHE 37 HA PHE 37 -31.005 -3.391 7.403 316 1HB PHE 37 HB1 PHE 37 -33.265 -2.811 5.506 317 2HB PHE 37 HB2 PHE 37 -33.241 -4.407 6.261 318 HD1 PHE 37 HD2 PHE 37 -30.771 -5.506 6.320 319 HD2 PHE 37 HD1 PHE 37 -32.078 -2.584 3.513 320 HE1 PHE 37 HE2 PHE 37 -28.993 -6.193 4.774 321 HE2 PHE 37 HE1 PHE 37 -30.297 -3.276 1.967 322 HZ PHE 37 HZ PHE 37 -28.754 -5.080 2.598 323 H SER 38 HN SER 38 -30.225 -1.746 5.905 324 HA SER 38 HA SER 38 -31.577 0.861 6.023 325 1HB SER 38 HB1 SER 38 -28.748 0.546 7.131 326 2HB SER 38 HB2 SER 38 -30.189 0.636 8.157 327 HG SER 38 HG1 SER 38 -29.903 2.716 7.892 328 H PHE 39 HN PHE 39 -30.199 2.548 4.897 329 HA PHE 39 HA PHE 39 -28.505 1.317 2.780 330 1HB PHE 39 HB1 PHE 39 -29.763 2.446 1.078 331 2HB PHE 39 HB2 PHE 39 -30.582 3.469 2.260 332 HD1 PHE 39 HD2 PHE 39 -32.238 2.431 3.855 333 HD2 PHE 39 HD1 PHE 39 -30.594 0.224 0.600 334 HE1 PHE 39 HE2 PHE 39 -33.982 0.723 4.128 335 HE2 PHE 39 HE1 PHE 39 -32.350 -1.473 0.872 336 HZ PHE 39 HZ PHE 39 -34.044 -1.225 2.641 337 H LYS 40 HN LYS 40 -27.328 3.013 1.522 338 HA LYS 40 HA LYS 40 -26.207 4.967 3.429 339 1HB LYS 40 HB1 LYS 40 -25.409 4.120 0.597 340 2HB LYS 40 HB2 LYS 40 -24.684 3.548 2.081 341 1HG LYS 40 HG1 LYS 40 -24.619 6.447 1.157 342 2HG LYS 40 HG2 LYS 40 -23.300 5.307 0.969 343 1HD LYS 40 HD1 LYS 40 -23.518 4.954 3.534 344 2HD LYS 40 HD2 LYS 40 -24.419 6.463 3.515 345 1HE LYS 40 HE1 LYS 40 -21.544 5.979 2.745 346 2HE LYS 40 HE2 LYS 40 -22.191 7.162 3.873 347 1HZ LYS 40 HZ1 LYS 40 -22.996 8.478 2.143 348 2HZ LYS 40 HZ2 LYS 40 -22.827 7.244 0.990 349 3HZ LYS 40 HZ3 LYS 40 -21.449 8.002 1.630 350 H THR 41 HN THR 41 -28.282 4.850 0.674 351 HA THR 41 HA THR 41 -28.306 7.845 0.598 352 HB THR 41 HB THR 41 -28.602 7.739 -1.808 353 HG1 THR 41 HG1 THR 41 -29.573 6.021 -2.653 354 1HG2 THR 41 HG21 THR 41 -26.296 6.757 -0.964 355 2HG2 THR 41 HG22 THR 41 -26.780 6.314 -2.598 356 3HG2 THR 41 HG23 THR 41 -27.007 5.175 -1.275 357 H LYS 42 HN LYS 42 -30.321 8.809 0.008 358 HA LYS 42 HA LYS 42 -32.534 7.583 1.365 359 1HB LYS 42 HB1 LYS 42 -32.416 10.039 -0.456 360 2HB LYS 42 HB2 LYS 42 -32.164 10.064 1.282 361 1HG LYS 42 HG1 LYS 42 -34.729 9.218 -0.116 362 2HG LYS 42 HG2 LYS 42 -34.475 10.740 0.723 363 1HD LYS 42 HD1 LYS 42 -33.750 9.072 2.702 364 2HD LYS 42 HD2 LYS 42 -34.857 8.003 1.847 365 1HE LYS 42 HE1 LYS 42 -36.075 9.304 3.547 366 2HE LYS 42 HE2 LYS 42 -36.606 9.763 1.933 367 1HZ LYS 42 HZ1 LYS 42 -35.984 11.829 2.311 368 2HZ LYS 42 HZ2 LYS 42 -34.402 11.345 2.697 369 3HZ LYS 42 HZ3 LYS 42 -35.590 11.410 3.909 370 H GLY 43 HN GLY 43 -31.375 7.591 -1.869 371 1HA GLY 43 HA1 GLY 43 -32.216 6.562 -3.809 372 2HA GLY 43 HA2 GLY 43 -33.796 7.158 -3.303 373 H ASN 44 HN ASN 44 -31.448 4.587 -2.620 374 HA ASN 44 HA ASN 44 -33.087 2.401 -3.005 375 1HB ASN 44 HB1 ASN 44 -31.624 1.262 -1.232 376 2HB ASN 44 HB2 ASN 44 -30.949 2.845 -0.875 377 1HD2 ASN 44 HD21 ASN 44 -31.836 2.036 -4.194 378 2HD2 ASN 44 HD22 ASN 44 -30.251 1.908 -4.778 379 H LEU 45 HN LEU 45 -32.746 4.255 0.007 380 HA LEU 45 HA LEU 45 -34.385 2.739 1.674 381 1HB LEU 45 HB1 LEU 45 -34.165 5.789 1.419 382 2HB LEU 45 HB2 LEU 45 -33.180 4.766 2.442 383 HG LEU 45 HG LEU 45 -34.787 5.718 3.918 384 1HD1 LEU 45 HD11 LEU 45 -36.907 6.352 3.371 385 2HD1 LEU 45 HD12 LEU 45 -37.270 4.834 2.564 386 3HD1 LEU 45 HD13 LEU 45 -36.397 6.095 1.709 387 1HD2 LEU 45 HD21 LEU 45 -34.481 3.179 4.011 388 2HD2 LEU 45 HD22 LEU 45 -36.050 3.048 3.234 389 3HD2 LEU 45 HD23 LEU 45 -35.914 3.816 4.809 390 H THR 46 HN THR 46 -35.368 5.241 -0.642 391 HA THR 46 HA THR 46 -38.159 5.130 -0.102 392 HB THR 46 HB THR 46 -36.823 5.656 -2.827 393 HG1 THR 46 HG1 THR 46 -37.207 7.159 -0.450 394 1HG2 THR 46 HG21 THR 46 -39.261 6.951 -1.492 395 2HG2 THR 46 HG22 THR 46 -39.429 5.600 -2.607 396 3HG2 THR 46 HG23 THR 46 -38.758 7.127 -3.169 397 H LYS 47 HN LYS 47 -36.131 3.244 -2.301 398 HA LYS 47 HA LYS 47 -38.250 1.845 -3.600 399 1HB LYS 47 HB1 LYS 47 -35.424 0.875 -2.941 400 2HB LYS 47 HB2 LYS 47 -35.855 1.824 -4.358 401 1HG LYS 47 HG1 LYS 47 -37.597 -0.080 -4.800 402 2HG LYS 47 HG2 LYS 47 -36.598 -1.021 -3.698 403 1HD LYS 47 HD1 LYS 47 -34.613 -0.164 -5.191 404 2HD LYS 47 HD2 LYS 47 -35.874 0.140 -6.380 405 1HE LYS 47 HE1 LYS 47 -35.434 -2.052 -6.931 406 2HE LYS 47 HE2 LYS 47 -36.590 -2.350 -5.639 407 1HZ LYS 47 HZ1 LYS 47 -34.969 -3.565 -4.758 408 2HZ LYS 47 HZ2 LYS 47 -34.266 -2.088 -4.302 409 3HZ LYS 47 HZ3 LYS 47 -33.765 -2.863 -5.728 410 H HIS 48 HN HIS 48 -36.657 1.349 -0.516 411 HA HIS 48 HA HIS 48 -37.752 -1.304 -0.103 412 1HB HIS 48 HB1 HIS 48 -36.652 0.779 1.852 413 2HB HIS 48 HB2 HIS 48 -35.761 -0.569 1.156 414 HD1 HIS 48 HD1 HIS 48 -36.997 -2.948 1.798 415 HD2 HIS 48 HD2 HIS 48 -37.758 0.187 4.308 416 HE1 HIS 48 HE1 HIS 48 -37.820 -3.958 3.869 417 H MET 49 HN MET 49 -38.726 1.964 0.862 418 HA MET 49 HA MET 49 -40.975 1.059 2.440 419 1HB MET 49 HB1 MET 49 -41.708 3.494 2.173 420 2HB MET 49 HB2 MET 49 -40.334 3.731 1.099 421 1HG MET 49 HG1 MET 49 -39.633 4.423 3.268 422 2HG MET 49 HG2 MET 49 -38.845 2.906 2.931 423 1HE MET 49 HE1 MET 49 -39.028 2.813 6.718 424 2HE MET 49 HE2 MET 49 -38.765 4.217 5.683 425 3HE MET 49 HE3 MET 49 -38.035 2.666 5.268 426 H LYS 50 HN LYS 50 -40.497 1.915 -0.921 427 HA LYS 50 HA LYS 50 -43.096 2.279 -1.836 428 1HB LYS 50 HB1 LYS 50 -41.074 0.467 -3.228 429 2HB LYS 50 HB2 LYS 50 -40.887 2.215 -3.178 430 1HG LYS 50 HG1 LYS 50 -42.880 2.574 -4.424 431 2HG LYS 50 HG2 LYS 50 -43.443 0.930 -4.149 432 1HD LYS 50 HD1 LYS 50 -40.803 1.172 -5.485 433 2HD LYS 50 HD2 LYS 50 -42.183 1.716 -6.432 434 1HE LYS 50 HE1 LYS 50 -41.746 -0.693 -6.800 435 2HE LYS 50 HE2 LYS 50 -43.314 -0.444 -6.042 436 1HZ LYS 50 HZ1 LYS 50 -42.057 -2.236 -5.004 437 2HZ LYS 50 HZ2 LYS 50 -42.359 -0.972 -3.911 438 3HZ LYS 50 HZ3 LYS 50 -40.817 -1.147 -4.602 439 H SER 51 HN SER 51 -41.436 -0.867 -1.552 440 HA SER 51 HA SER 51 -43.499 -2.556 -2.332 441 1HB SER 51 HB1 SER 51 -41.619 -2.959 0.063 442 2HB SER 51 HB2 SER 51 -41.241 -3.377 -1.620 443 HG SER 51 HG1 SER 51 -42.153 -5.141 -0.413 444 H LYS 52 HN LYS 52 -45.260 -3.518 -1.332 445 HA LYS 52 HA LYS 52 -46.605 -1.858 0.630 446 1HB LYS 52 HB1 LYS 52 -48.359 -2.922 -0.387 447 2HB LYS 52 HB2 LYS 52 -47.920 -4.382 0.489 448 1HG LYS 52 HG1 LYS 52 -46.331 -4.974 -1.338 449 2HG LYS 52 HG2 LYS 52 -46.843 -3.539 -2.224 450 1HD LYS 52 HD1 LYS 52 -49.179 -4.393 -2.222 451 2HD LYS 52 HD2 LYS 52 -48.636 -5.843 -1.385 452 1HE LYS 52 HE1 LYS 52 -47.192 -6.440 -3.259 453 2HE LYS 52 HE2 LYS 52 -47.572 -4.929 -4.076 454 1HZ LYS 52 HZ1 LYS 52 -48.936 -6.518 -5.059 455 2HZ LYS 52 HZ2 LYS 52 -49.962 -5.703 -3.979 456 3HZ LYS 52 HZ3 LYS 52 -49.348 -7.234 -3.575 457 H ALA 53 HN ALA 53 -44.044 -3.496 1.237 458 HA ALA 53 HA ALA 53 -44.588 -5.484 3.149 459 1HB ALA 53 HB1 ALA 53 -42.357 -4.869 4.110 460 2HB ALA 53 HB2 ALA 53 -42.388 -3.356 3.208 461 3HB ALA 53 HB3 ALA 53 -42.293 -4.891 2.351 462 H HIS 54 HN HIS 54 -43.758 -2.112 3.976 463 HA HIS 54 HA HIS 54 -45.981 -1.883 5.805 464 1HB HIS 54 HB1 HIS 54 -44.750 -3.230 7.309 465 2HB HIS 54 HB2 HIS 54 -44.272 -1.611 7.800 466 HD1 HIS 54 HD1 HIS 54 -42.938 -4.618 6.209 467 HD2 HIS 54 HD2 HIS 54 -41.598 -0.846 7.037 468 HE1 HIS 54 HE1 HIS 54 -40.504 -4.714 5.951 469 H SER 55 HN SER 55 -46.367 0.096 4.919 470 HA SER 55 HA SER 55 -44.512 2.235 5.780 471 1HB SER 55 HB1 SER 55 -43.751 1.839 3.486 472 2HB SER 55 HB2 SER 55 -44.807 3.262 3.391 473 HG SER 55 HG1 SER 55 -45.396 0.561 2.804 474 H LYS 56 HN LYS 56 -46.854 2.864 3.319 475 HA LYS 56 HA LYS 56 -48.398 4.456 5.272 476 1HB LYS 56 HB1 LYS 56 -49.541 5.315 3.192 477 2HB LYS 56 HB2 LYS 56 -48.592 4.188 2.231 478 1HG LYS 56 HG1 LYS 56 -46.540 5.282 2.799 479 2HG LYS 56 HG2 LYS 56 -47.307 6.212 4.080 480 1HD LYS 56 HD1 LYS 56 -48.547 6.558 1.421 481 2HD LYS 56 HD2 LYS 56 -46.891 7.143 1.528 482 1HE LYS 56 HE1 LYS 56 -49.132 7.878 3.440 483 2HE LYS 56 HE2 LYS 56 -48.520 8.910 2.154 484 1HZ LYS 56 HZ1 LYS 56 -47.350 8.258 4.725 485 2HZ LYS 56 HZ2 LYS 56 -47.226 9.674 3.797 486 3HZ LYS 56 HZ3 LYS 56 -46.266 8.326 3.420 487 H LYS 57 HN LYS 57 -50.246 3.518 2.626 488 HA LYS 57 HA LYS 57 -52.262 2.325 4.214 489 1HB LYS 57 HB1 LYS 57 -53.198 1.585 1.975 490 2HB LYS 57 HB2 LYS 57 -51.697 2.116 1.221 491 1HG LYS 57 HG1 LYS 57 -52.087 4.400 1.835 492 2HG LYS 57 HG2 LYS 57 -53.388 3.955 2.934 493 1HD LYS 57 HD1 LYS 57 -54.285 4.852 0.805 494 2HD LYS 57 HD2 LYS 57 -54.744 3.168 1.027 495 1HE LYS 57 HE1 LYS 57 -53.304 2.413 -0.633 496 2HE LYS 57 HE2 LYS 57 -52.185 3.752 -0.418 497 1HZ LYS 57 HZ1 LYS 57 -53.418 5.124 -1.725 498 2HZ LYS 57 HZ2 LYS 57 -54.882 4.329 -1.400 499 3HZ LYS 57 LYS 57 -53.761 3.638 -2.471 Start of MODEL 49 Raw file had 499 H/Q atoms Start of MODEL 49 1 1H LYS 1 HT1 LYS 1 -8.607 -8.371 -9.578 2 2H LYS 1 HT2 LYS 1 -8.632 -8.811 -7.938 3 3H LYS 1 HT3 LYS 1 -8.817 -7.183 -8.382 4 HA LYS 1 HA LYS 1 -10.811 -8.267 -9.762 5 1HB LYS 1 HB1 LYS 1 -11.928 -9.912 -8.328 6 2HB LYS 1 HB2 LYS 1 -10.699 -9.733 -7.082 7 1HG LYS 1 HG1 LYS 1 -8.993 -10.643 -8.605 8 2HG LYS 1 HG2 LYS 1 -10.187 -10.769 -9.891 9 1HD LYS 1 HD1 LYS 1 -10.829 -12.075 -7.278 10 2HD LYS 1 HD2 LYS 1 -9.621 -12.849 -8.299 11 1HE LYS 1 HE1 LYS 1 -12.222 -11.931 -9.503 12 2HE LYS 1 HE2 LYS 1 -12.160 -13.454 -8.625 13 1HZ LYS 1 HZ1 LYS 1 -11.333 -12.924 -11.242 14 2HZ LYS 1 HZ2 LYS 1 -11.297 -14.400 -10.402 15 3HZ LYS 1 HZ3 LYS 1 -9.960 -13.355 -10.339 16 OH TYR 2 OH TYR 2 -7.111 -3.597 -7.693 17 H TYR 2 HN TYR 2 -12.676 -7.196 -9.241 18 HA TYR 2 HA TYR 2 -12.832 -5.844 -6.607 19 1HB TYR 2 HB1 TYR 2 -13.239 -3.650 -7.713 20 2HB TYR 2 HB2 TYR 2 -12.978 -4.385 -9.291 21 HD1 TYR 2 HD2 TYR 2 -11.316 -3.717 -6.022 22 HD2 TYR 2 HD1 TYR 2 -10.774 -4.642 -10.138 23 HE1 TYR 2 HE2 TYR 2 -8.903 -3.359 -5.785 24 HE2 TYR 2 HE1 TYR 2 -8.360 -4.287 -9.900 25 HH TYR 2 HH TYR 2 -6.663 -4.398 -7.973 26 H ILE 3 HN ILE 3 -14.374 -7.939 -7.491 27 HA ILE 3 HA ILE 3 -16.971 -6.670 -8.235 28 HB ILE 3 HB ILE 3 -16.340 -9.647 -8.180 29 1HG1 ILE 3 HG11 ILE 3 -14.652 -8.621 -9.608 30 2HG1 ILE 3 HG12 ILE 3 -15.876 -7.663 -10.434 31 1HG2 ILE 3 HG21 ILE 3 -18.197 -8.098 -10.035 32 2HG2 ILE 3 HG22 ILE 3 -18.733 -8.576 -8.427 33 3HG2 ILE 3 HG23 ILE 3 -18.272 -9.804 -9.601 34 1HD1 ILE 3 HD1 ILE 3 -15.087 -9.869 -11.571 35 2HD1 ILE 3 HD2 ILE 3 -16.819 -9.562 -11.489 36 3HD1 ILE 3 HD3 ILE 3 -16.067 -10.677 -10.352 37 H CYS 4 HN CYS 4 -17.994 -6.096 -6.370 38 HA CYS 4 HA CYS 4 -17.630 -7.252 -3.851 39 1HB CYS 4 HB1 CYS 4 -20.022 -5.932 -5.121 40 2HB CYS 4 HB2 CYS 4 -18.925 -5.260 -3.952 41 H GLU 5 HN GLU 5 -18.013 -9.166 -3.075 42 HA GLU 5 HA GLU 5 -19.258 -11.238 -4.582 43 1HB GLU 5 HB1 GLU 5 -19.037 -12.541 -2.434 44 2HB GLU 5 HB2 GLU 5 -18.601 -11.049 -1.608 45 1HG GLU 5 HG1 GLU 5 -17.092 -12.051 -4.037 46 2HG GLU 5 HG2 GLU 5 -16.641 -12.502 -2.395 47 H GLU 6 HN GLU 6 -20.613 -8.824 -2.573 48 HA GLU 6 HA GLU 6 -23.012 -10.417 -2.022 49 1HB GLU 6 HB1 GLU 6 -22.600 -7.481 -1.367 50 2HB GLU 6 HB2 GLU 6 -21.899 -8.749 -0.369 51 1HG GLU 6 HG1 GLU 6 -24.114 -9.699 0.049 52 2HG GLU 6 HG2 GLU 6 -24.851 -8.532 -1.046 53 H CYS 7 HN CYS 7 -22.630 -7.079 -3.177 54 HA CYS 7 HA CYS 7 -25.140 -7.236 -4.617 55 1HB CYS 7 HB1 CYS 7 -24.771 -4.968 -5.150 56 2HB CYS 7 HB2 CYS 7 -23.041 -5.139 -5.118 57 H GLY 8 HN GLY 8 -21.717 -7.155 -5.560 58 1HA GLY 8 HA1 GLY 8 -22.526 -8.270 -8.205 59 2HA GLY 8 HA2 GLY 8 -20.931 -8.438 -7.486 60 H ILE 9 HN ILE 9 -21.346 -5.430 -6.719 61 HA ILE 9 HA ILE 9 -21.427 -3.930 -9.105 62 HB ILE 9 HB ILE 9 -21.413 -3.143 -6.600 63 1HG1 ILE 9 HG11 ILE 9 -20.296 -1.815 -9.018 64 2HG1 ILE 9 HG12 ILE 9 -20.015 -1.007 -7.480 65 1HG2 ILE 9 HG21 ILE 9 -19.043 -4.194 -6.286 66 2HG2 ILE 9 HG22 ILE 9 -19.252 -2.566 -5.681 67 3HG2 ILE 9 HG23 ILE 9 -18.432 -2.829 -7.207 68 1HD1 ILE 9 HD1 ILE 9 -22.414 -1.034 -6.984 69 2HD1 ILE 9 HD2 ILE 9 -22.733 -1.953 -8.452 70 3HD1 ILE 9 HD3 ILE 9 -22.159 -0.292 -8.560 71 NH1 ARG 10 NH1 ARG 10 -17.569 -7.252 -16.739 72 NH2 ARG 10 NH2 ARG 10 -15.294 -7.373 -16.891 73 H ARG 10 HN ARG 10 -20.065 -3.755 -10.755 74 HA ARG 10 HA ARG 10 -17.384 -5.008 -10.482 75 1HB ARG 10 HB1 ARG 10 -18.883 -4.048 -12.966 76 2HB ARG 10 HB2 ARG 10 -18.934 -5.695 -12.354 77 1HG ARG 10 HG1 ARG 10 -16.270 -5.425 -12.475 78 2HG ARG 10 HG2 ARG 10 -16.692 -4.238 -13.701 79 1HD ARG 10 HD1 ARG 10 -18.272 -6.141 -14.607 80 2HD ARG 10 HD2 ARG 10 -17.210 -7.203 -13.683 81 HE ARG 10 HE ARG 10 -15.517 -5.541 -15.189 82 1HH1 ARG 10 HH11 ARG 10 -18.379 -6.900 -16.268 83 2HH1 ARG 10 HH12 ARG 10 -17.674 -7.842 -17.539 84 1HH2 ARG 10 HH21 ARG 10 -14.396 -7.113 -16.535 85 2HH2 ARG 10 HH22 ARG 10 -15.359 -7.966 -17.694 86 H ABA 11 HN ABU 11 -16.079 -3.461 -9.592 87 HA ABA 11 HA ABU 11 -15.806 -0.902 -11.145 88 1HB ABA 11 HB1 ABU 11 -15.095 0.163 -9.050 89 2HB ABA 11 HB2 ABU 11 -15.134 -1.364 -8.202 90 1HG ABA 11 HG1 ABU 11 -17.182 -0.357 -7.591 91 2HG ABA 11 HG2 ABU 11 -17.648 -1.431 -8.902 92 3HG ABA 11 HG3 ABU 11 -17.447 0.288 -9.207 93 H LYS 12 HN LYS 12 -14.279 -1.889 -12.503 94 HA LYS 12 HA LYS 12 -12.056 -3.387 -11.914 95 1HB LYS 12 HB1 LYS 12 -10.927 -1.905 -13.775 96 2HB LYS 12 HB2 LYS 12 -12.487 -1.096 -13.851 97 1HG LYS 12 HG1 LYS 12 -12.922 -2.777 -15.372 98 2HG LYS 12 HG2 LYS 12 -13.342 -3.648 -13.904 99 1HD LYS 12 HD1 LYS 12 -11.843 -5.085 -15.109 100 2HD LYS 12 HD2 LYS 12 -10.907 -4.403 -13.785 101 1HE LYS 12 HE1 LYS 12 -9.434 -3.557 -15.271 102 2HE LYS 12 HE2 LYS 12 -10.711 -2.589 -15.993 103 1HZ LYS 12 HZ1 LYS 12 -10.062 -3.853 -17.753 104 2HZ LYS 12 HZ2 LYS 12 -11.307 -4.829 -17.135 105 3HZ LYS 12 HZ3 LYS 12 -9.685 -5.210 -16.805 106 H LYS 13 HN LYS 13 -12.584 -0.108 -10.901 107 HA LYS 13 HA LYS 13 -9.721 0.184 -10.221 108 1HB LYS 13 HB1 LYS 13 -10.417 2.541 -9.609 109 2HB LYS 13 HB2 LYS 13 -12.063 2.119 -10.062 110 1HG LYS 13 HG1 LYS 13 -11.064 1.390 -12.328 111 2HG LYS 13 HG2 LYS 13 -9.617 2.261 -11.836 112 1HD LYS 13 HD1 LYS 13 -12.413 3.436 -12.023 113 2HD LYS 13 HD2 LYS 13 -11.103 3.723 -13.161 114 1HE LYS 13 HE1 LYS 13 -10.802 5.565 -11.796 115 2HE LYS 13 HE2 LYS 13 -9.811 4.408 -10.916 116 1HZ LYS 13 HZ1 LYS 13 -12.369 5.570 -10.213 117 2HZ LYS 13 HZ2 LYS 13 -11.098 5.046 -9.218 118 3HZ LYS 13 HZ3 LYS 13 -12.196 3.918 -9.858 119 HA PRO 14 HA PRO 14 -10.421 -0.939 -5.955 120 1HB PRO 14 HB1 PRO 14 -8.219 -0.862 -5.262 121 2HB PRO 14 HB2 PRO 14 -8.458 0.835 -4.849 122 1HG PRO 14 HG1 PRO 14 -6.784 -0.163 -6.915 123 2HG PRO 14 HG2 PRO 14 -7.244 1.525 -6.673 124 1HD PRO 14 HD1 PRO 14 -8.417 1.401 -8.639 125 2HD PRO 14 HD2 PRO 14 -8.152 -0.350 -8.721 126 H SER 15 HN SER 15 -9.354 2.458 -5.915 127 HA SER 15 HA SER 15 -10.657 3.575 -3.855 128 1HB SER 15 HB1 SER 15 -9.477 4.849 -5.734 129 2HB SER 15 HB2 SER 15 -10.977 5.640 -5.215 130 HG SER 15 HG1 SER 15 -11.961 4.992 -6.994 131 H MET 16 HN MET 16 -12.351 2.911 -6.913 132 HA MET 16 HA MET 16 -14.911 3.749 -5.941 133 1HB MET 16 HB1 MET 16 -15.664 2.108 -7.877 134 2HB MET 16 HB2 MET 16 -13.938 1.971 -8.196 135 1HG MET 16 HG1 MET 16 -13.787 4.432 -8.349 136 2HG MET 16 HG2 MET 16 -15.505 4.549 -8.078 137 1HE MET 16 HE1 MET 16 -15.336 5.968 -11.460 138 2HE MET 16 HE2 MET 16 -15.142 6.215 -9.725 139 3HE MET 16 HE3 MET 16 -16.675 5.623 -10.365 140 H LEU 17 HN LEU 17 -13.421 0.513 -6.201 141 HA LEU 17 HA LEU 17 -15.666 -0.810 -4.973 142 1HB LEU 17 HB1 LEU 17 -12.799 -1.819 -4.919 143 2HB LEU 17 HB2 LEU 17 -13.701 -1.795 -6.414 144 HG LEU 17 HG LEU 17 -13.772 -4.022 -5.214 145 1HD1 LEU 17 HD11 LEU 17 -14.957 -4.300 -3.176 146 2HD1 LEU 17 HD12 LEU 17 -15.595 -2.668 -3.221 147 3HD1 LEU 17 HD13 LEU 17 -13.885 -2.935 -2.908 148 1HD2 LEU 17 HD21 LEU 17 -16.015 -4.487 -5.756 149 2HD2 LEU 17 HD22 LEU 17 -15.648 -3.094 -6.756 150 3HD2 LEU 17 HD23 LEU 17 -16.575 -2.891 -5.282 151 H LYS 18 HN LYS 18 -12.388 -0.157 -3.766 152 HA LYS 18 HA LYS 18 -12.426 -0.890 -1.182 153 1HB LYS 18 HB1 LYS 18 -11.200 1.313 -0.659 154 2HB LYS 18 HB2 LYS 18 -11.565 1.804 -2.309 155 1HG LYS 18 HG1 LYS 18 -10.401 -0.178 -3.182 156 2HG LYS 18 HG2 LYS 18 -10.071 -0.729 -1.546 157 1HD LYS 18 HD1 LYS 18 -9.107 1.906 -2.719 158 2HD LYS 18 HD2 LYS 18 -8.119 0.458 -2.566 159 1HE LYS 18 HE1 LYS 18 -8.956 0.619 -0.020 160 2HE LYS 18 HE2 LYS 18 -9.095 2.320 -0.440 161 1HZ LYS 18 HZ1 LYS 18 -6.705 0.619 -0.361 162 2HZ LYS 18 HZ2 LYS 18 -6.949 2.170 0.290 163 3HZ LYS 18 HZ3 LYS 18 -6.738 1.976 -1.384 164 H LYS 19 HN LYS 19 -14.057 2.041 -2.350 165 HA LYS 19 HA LYS 19 -15.094 2.663 0.274 166 1HB LYS 19 HB1 LYS 19 -16.553 4.286 -1.089 167 2HB LYS 19 HB2 LYS 19 -15.797 3.636 -2.537 168 1HG LYS 19 HG1 LYS 19 -13.826 4.741 -2.159 169 2HG LYS 19 HG2 LYS 19 -13.879 4.467 -0.428 170 1HD LYS 19 HD1 LYS 19 -14.118 6.854 -0.871 171 2HD LYS 19 HD2 LYS 19 -15.638 6.238 -0.241 172 1HE LYS 19 HE1 LYS 19 -16.700 6.916 -2.113 173 2HE LYS 19 HE2 LYS 19 -15.642 5.907 -3.090 174 1HZ LYS 19 HZ1 LYS 19 -15.550 8.267 -3.690 175 2HZ LYS 19 HZ2 LYS 19 -14.042 7.663 -3.194 176 3HZ LYS 19 HZ3 LYS 19 -14.959 8.630 -2.140 177 H HIS 20 HN HIS 20 -16.344 1.117 -2.638 178 HA HIS 20 HA HIS 20 -19.048 0.864 -1.847 179 1HB HIS 20 HB1 HIS 20 -17.307 -1.081 -3.417 180 2HB HIS 20 HB2 HIS 20 -18.246 0.233 -4.121 181 HD1 HIS 20 HD1 HIS 20 -20.573 -0.478 -4.691 182 HD2 HIS 20 HD2 HIS 20 -18.912 -3.055 -2.019 183 HE1 HIS 20 HE1 HIS 20 -22.231 -2.252 -4.382 184 H ILE 21 HN ILE 21 -16.391 -1.473 -1.485 185 HA ILE 21 HA ILE 21 -17.878 -3.338 0.039 186 HB ILE 21 HB ILE 21 -15.680 -3.863 -0.976 187 1HG1 ILE 21 HG11 ILE 21 -16.307 -4.421 1.841 188 2HG1 ILE 21 HG12 ILE 21 -14.590 -4.525 1.497 189 1HG2 ILE 21 HG21 ILE 21 -13.604 -2.953 0.088 190 2HG2 ILE 21 HG22 ILE 21 -14.587 -1.987 1.184 191 3HG2 ILE 21 HG23 ILE 21 -14.614 -1.662 -0.545 192 1HD1 ILE 21 HD1 ILE 21 -15.012 -6.072 -0.341 193 2HD1 ILE 21 HD2 ILE 21 -16.752 -5.876 -0.149 194 3HD1 ILE 21 HD3 ILE 21 -15.812 -6.679 1.105 195 NH1 ARG 22 NH2 ARG 22 -11.912 1.718 5.746 196 NH2 ARG 22 NH1 ARG 22 -11.166 3.446 4.451 197 H ARG 22 HN ARG 22 -16.208 -0.389 0.993 198 HA ARG 22 HA ARG 22 -16.344 -0.926 3.835 199 1HB ARG 22 HB1 ARG 22 -16.192 1.706 3.882 200 2HB ARG 22 HB2 ARG 22 -16.006 1.571 2.138 201 1HG ARG 22 HG1 ARG 22 -14.136 -0.092 2.568 202 2HG ARG 22 HG2 ARG 22 -14.243 0.337 4.270 203 1HD ARG 22 HD1 ARG 22 -13.954 2.777 3.524 204 2HD ARG 22 HD2 ARG 22 -13.499 2.132 1.947 205 HE ARG 22 HE ARG 22 -11.576 1.031 3.046 206 1HH1 ARG 22 HH21 ARG 22 -12.358 0.825 5.808 207 2HH1 ARG 22 HH22 ARG 22 -11.598 2.179 6.576 208 1HH2 ARG 22 HH11 ARG 22 -11.050 3.848 3.542 209 2HH2 ARG 22 HH12 ARG 22 -10.838 3.936 5.259 210 H THR 23 HN THR 23 -18.686 0.056 1.516 211 HA THR 23 HA THR 23 -20.449 1.431 3.357 212 HB THR 23 HB THR 23 -21.270 -0.093 0.815 213 HG1 THR 23 HG1 THR 23 -19.854 2.290 1.336 214 1HG2 THR 23 HG21 THR 23 -22.203 2.493 2.191 215 2HG2 THR 23 HG22 THR 23 -23.119 0.989 2.158 216 3HG2 THR 23 HG23 THR 23 -22.844 1.886 0.668 217 H HIS 24 HN HIS 24 -19.937 -1.950 2.577 218 HA HIS 24 HA HIS 24 -22.434 -2.837 3.777 219 1HB HIS 24 HB1 HIS 24 -21.154 -5.099 3.826 220 2HB HIS 24 HB2 HIS 24 -19.807 -4.241 3.085 221 HD1 HIS 24 HD1 HIS 24 -23.468 -4.708 2.308 222 HD2 HIS 24 HD2 HIS 24 -19.917 -4.262 0.361 223 HE1 HIS 24 HE1 HIS 24 -23.989 -4.939 -0.100 224 H THR 25 HN THR 25 -20.267 -1.116 5.230 225 HA THR 25 HA THR 25 -19.686 -2.818 7.560 226 HB THR 25 HB THR 25 -18.644 -0.587 8.375 227 HG1 THR 25 HG1 THR 25 -18.660 1.004 6.732 228 1HG2 THR 25 HG21 THR 25 -17.060 -1.942 7.115 229 2HG2 THR 25 HG22 THR 25 -17.048 -0.383 6.299 230 3HG2 THR 25 HG23 THR 25 -17.970 -1.722 5.624 231 H ASP 26 HN ASP 26 -20.286 0.393 8.318 232 HA ASP 26 HA ASP 26 -23.063 -0.110 9.177 233 1HB ASP 26 HB1 ASP 26 -22.524 0.620 11.510 234 2HB ASP 26 HB2 ASP 26 -20.823 0.763 11.071 235 H VAL 27 HN VAL 27 -21.583 1.556 7.286 236 HA VAL 27 HA VAL 27 -22.046 4.281 8.361 237 HB VAL 27 HB VAL 27 -19.920 3.846 7.190 238 1HG1 VAL 27 HG11 VAL 27 -21.641 3.095 4.812 239 2HG1 VAL 27 HG12 VAL 27 -20.739 1.964 5.803 240 3HG1 VAL 27 HG13 VAL 27 -19.883 3.154 4.838 241 1HG2 VAL 27 HG21 VAL 27 -21.184 5.378 5.023 242 2HG2 VAL 27 HG22 VAL 27 -19.946 5.879 6.171 243 3HG2 VAL 27 HG23 VAL 27 -21.645 5.943 6.626 244 NH1 ARG 28 NH2 ARG 28 -26.277 -2.273 2.917 245 NH2 ARG 28 NH1 ARG 28 -24.744 -2.934 4.478 246 H ARG 28 HN ARG 28 -24.302 2.785 7.981 247 HA ARG 28 HA ARG 28 -25.611 3.990 5.582 248 1HB ARG 28 HB1 ARG 28 -27.323 2.098 6.120 249 2HB ARG 28 HB2 ARG 28 -26.078 1.456 7.181 250 1HG ARG 28 HG1 ARG 28 -24.556 1.777 5.026 251 2HG ARG 28 HG2 ARG 28 -26.102 1.656 4.196 252 1HD ARG 28 HD1 ARG 28 -26.551 -0.458 5.506 253 2HD ARG 28 HD2 ARG 28 -24.898 -0.367 6.109 254 HE ARG 28 HE ARG 28 -24.519 -0.246 3.403 255 1HH1 ARG 28 HH21 ARG 28 -26.733 -1.531 2.425 256 2HH1 ARG 28 HH22 ARG 28 -26.521 -3.223 2.726 257 1HH2 ARG 28 HH11 ARG 28 -24.051 -2.687 5.155 258 2HH2 ARG 28 HH12 ARG 28 -24.962 -3.896 4.312 259 HA PRO 29 HA PRO 29 -27.403 6.088 9.322 260 1HB PRO 29 HB1 PRO 29 -26.936 8.292 8.889 261 2HB PRO 29 HB2 PRO 29 -28.121 8.307 7.581 262 1HG PRO 29 HG1 PRO 29 -25.213 8.225 7.376 263 2HG PRO 29 HG2 PRO 29 -26.392 8.378 6.073 264 1HD PRO 29 HD1 PRO 29 -26.123 6.190 5.504 265 2HD PRO 29 HD2 PRO 29 -24.812 6.080 6.690 266 OH TYR 30 OH TYR 30 -29.330 10.550 2.794 267 H TYR 30 HN TYR 30 -28.713 5.735 6.065 268 HA TYR 30 HA TYR 30 -31.444 6.337 6.835 269 1HB TYR 30 HB1 TYR 30 -31.985 5.322 4.600 270 2HB TYR 30 HB2 TYR 30 -30.327 4.737 4.477 271 HD1 TYR 30 HD1 TYR 30 -32.243 7.906 5.034 272 HD2 TYR 30 HD2 TYR 30 -28.708 6.120 3.482 273 HE1 TYR 30 HE1 TYR 30 -31.539 10.077 4.138 274 HE2 TYR 30 HE2 TYR 30 -28.003 8.292 2.588 275 HH TYR 30 HH TYR 30 -29.429 10.520 1.840 276 H HIS 31 HN HIS 31 -32.684 5.110 8.099 277 HA HIS 31 HA HIS 31 -32.356 2.132 7.969 278 1HB HIS 31 HB1 HIS 31 -32.873 2.085 10.409 279 2HB HIS 31 HB2 HIS 31 -32.999 3.841 10.417 280 HD1 HIS 31 HD1 HIS 31 -30.426 1.278 9.660 281 HD2 HIS 31 HD2 HIS 31 -30.632 5.143 10.873 282 HE1 HIS 31 HE1 HIS 31 -28.134 1.895 10.162 283 H CYS 32 HN CYS 32 -34.208 0.902 7.917 284 HA CYS 32 HA CYS 32 -36.628 2.215 7.077 285 1HB CYS 32 HB1 CYS 32 -35.946 -0.601 7.978 286 2HB CYS 32 HB2 CYS 32 -36.322 -0.050 6.367 287 H THR 33 HN THR 33 -38.623 2.392 8.155 288 HA THR 33 HA THR 33 -38.338 3.009 10.993 289 HB THR 33 HB THR 33 -40.881 2.944 9.252 290 HG1 THR 33 HG1 THR 33 -40.063 4.698 8.426 291 1HG2 THR 33 HG21 THR 33 -40.064 4.309 11.876 292 2HG2 THR 33 HG22 THR 33 -41.490 3.314 11.602 293 3HG2 THR 33 HG23 THR 33 -41.389 4.921 10.892 294 OH TYR 34 OH TYR 34 -44.969 1.914 9.633 295 H TYR 34 HN TYR 34 -38.386 0.172 9.648 296 HA TYR 34 HA TYR 34 -39.905 -1.055 11.882 297 1HB TYR 34 HB1 TYR 34 -40.963 -2.678 10.298 298 2HB TYR 34 HB2 TYR 34 -40.194 -1.863 8.944 299 HD1 TYR 34 HD2 TYR 34 -40.877 0.467 8.348 300 HD2 TYR 34 HD1 TYR 34 -42.919 -1.733 11.362 301 HE1 TYR 34 HE2 TYR 34 -42.764 2.027 8.210 302 HE2 TYR 34 HE1 TYR 34 -44.803 -0.169 11.225 303 HH TYR 34 HH TYR 34 -45.648 1.512 9.085 304 H CYS 35 HN CYS 35 -38.280 -2.197 8.930 305 HA CYS 35 HA CYS 35 -37.037 -4.429 10.215 306 1HB CYS 35 HB1 CYS 35 -35.716 -4.614 8.185 307 2HB CYS 35 HB2 CYS 35 -35.966 -2.938 7.798 308 H ASN 36 HN ASN 36 -34.661 -4.738 10.288 309 HA ASN 36 HA ASN 36 -33.439 -2.399 11.656 310 1HB ASN 36 HB1 ASN 36 -32.194 -5.165 11.498 311 2HB ASN 36 HB2 ASN 36 -33.574 -4.912 12.564 312 1HD2 ASN 36 HD21 ASN 36 -31.618 -5.487 14.135 313 2HD2 ASN 36 HD22 ASN 36 -30.776 -4.152 14.759 314 H PHE 37 HN PHE 37 -33.720 -3.286 8.664 315 HA PHE 37 HA PHE 37 -30.945 -3.468 7.783 316 1HB PHE 37 HB1 PHE 37 -33.258 -2.680 5.995 317 2HB PHE 37 HB2 PHE 37 -33.187 -4.320 6.634 318 HD1 PHE 37 HD2 PHE 37 -31.072 -5.690 6.212 319 HD2 PHE 37 HD1 PHE 37 -31.855 -2.026 4.185 320 HE1 PHE 37 HE2 PHE 37 -29.431 -6.289 4.486 321 HE2 PHE 37 HE1 PHE 37 -30.211 -2.631 2.464 322 HZ PHE 37 HZ PHE 37 -28.998 -4.761 2.613 323 H SER 38 HN SER 38 -29.832 -1.901 6.569 324 HA SER 38 HA SER 38 -30.930 0.847 6.712 325 1HB SER 38 HB1 SER 38 -28.033 0.265 7.384 326 2HB SER 38 HB2 SER 38 -29.274 0.224 8.641 327 HG SER 38 HG1 SER 38 -29.851 2.298 8.136 328 H PHE 39 HN PHE 39 -30.199 2.264 5.163 329 HA PHE 39 HA PHE 39 -28.655 0.996 2.939 330 1HB PHE 39 HB1 PHE 39 -30.066 2.165 1.413 331 2HB PHE 39 HB2 PHE 39 -30.602 3.303 2.645 332 HD1 PHE 39 HD2 PHE 39 -32.083 2.452 4.531 333 HD2 PHE 39 HD1 PHE 39 -31.201 0.075 1.107 334 HE1 PHE 39 HE2 PHE 39 -33.975 0.976 5.062 335 HE2 PHE 39 HE1 PHE 39 -33.103 -1.384 1.634 336 HZ PHE 39 HZ PHE 39 -34.492 -0.934 3.609 337 H LYS 40 HN LYS 40 -27.375 2.415 1.646 338 HA LYS 40 HA LYS 40 -26.011 4.439 3.295 339 1HB LYS 40 HB1 LYS 40 -25.459 3.233 0.548 340 2HB LYS 40 HB2 LYS 40 -24.675 2.790 2.047 341 1HG LYS 40 HG1 LYS 40 -24.463 5.476 0.634 342 2HG LYS 40 HG2 LYS 40 -23.196 4.266 0.776 343 1HD LYS 40 HD1 LYS 40 -23.642 4.511 3.354 344 2HD LYS 40 HD2 LYS 40 -24.330 6.062 2.895 345 1HE LYS 40 HE1 LYS 40 -21.499 5.113 2.711 346 2HE LYS 40 HE2 LYS 40 -22.117 6.693 3.176 347 1HZ LYS 40 HZ1 LYS 40 -21.849 5.566 0.458 348 2HZ LYS 40 HZ2 LYS 40 -21.150 6.980 1.088 349 3HZ LYS 40 HZ3 LYS 40 -22.820 6.922 0.782 350 H THR 41 HN THR 41 -28.329 4.319 0.758 351 HA THR 41 HA THR 41 -28.086 7.287 0.469 352 HB THR 41 HB THR 41 -28.506 7.067 -1.971 353 HG1 THR 41 HG1 THR 41 -29.328 4.654 -1.018 354 1HG2 THR 41 HG21 THR 41 -26.101 6.510 -1.100 355 2HG2 THR 41 HG22 THR 41 -26.510 5.816 -2.664 356 3HG2 THR 41 HG23 THR 41 -26.563 4.816 -1.216 357 H LYS 42 HN LYS 42 -30.012 8.368 -0.111 358 HA LYS 42 HA LYS 42 -32.330 7.331 1.206 359 1HB LYS 42 HB1 LYS 42 -31.906 9.709 -0.655 360 2HB LYS 42 HB2 LYS 42 -31.943 9.745 1.104 361 1HG LYS 42 HG1 LYS 42 -34.343 8.657 0.742 362 2HG LYS 42 HG2 LYS 42 -34.209 9.426 -0.835 363 1HD LYS 42 HD1 LYS 42 -33.743 11.595 0.264 364 2HD LYS 42 HD2 LYS 42 -33.885 10.826 1.841 365 1HE LYS 42 HE1 LYS 42 -36.212 10.269 1.425 366 2HE LYS 42 HE2 LYS 42 -36.093 10.830 -0.238 367 1HZ LYS 42 HZ1 LYS 42 -35.256 12.858 1.539 368 2HZ LYS 42 HZ2 LYS 42 -36.799 12.305 1.982 369 3HZ LYS 42 HZ3 LYS 42 -36.522 12.879 0.408 370 H GLY 43 HN GLY 43 -31.210 7.285 -2.078 371 1HA GLY 43 HA1 GLY 43 -32.083 6.164 -3.952 372 2HA GLY 43 HA2 GLY 43 -33.616 6.900 -3.490 373 H ASN 44 HN ASN 44 -31.489 4.302 -2.311 374 HA ASN 44 HA ASN 44 -33.255 2.179 -2.767 375 1HB ASN 44 HB1 ASN 44 -31.940 1.050 -0.880 376 2HB ASN 44 HB2 ASN 44 -31.153 2.598 -0.599 377 1HD2 ASN 44 HD21 ASN 44 -32.064 1.297 -3.798 378 2HD2 ASN 44 HD22 ASN 44 -30.475 1.161 -4.376 379 H LEU 45 HN LEU 45 -32.933 4.225 0.114 380 HA LEU 45 HA LEU 45 -34.718 2.896 1.805 381 1HB LEU 45 HB1 LEU 45 -34.514 5.933 1.437 382 2HB LEU 45 HB2 LEU 45 -33.333 4.992 2.323 383 HG LEU 45 HG LEU 45 -34.853 5.970 3.931 384 1HD1 LEU 45 HD11 LEU 45 -37.154 6.074 3.758 385 2HD1 LEU 45 HD12 LEU 45 -37.281 4.580 2.848 386 3HD1 LEU 45 HD13 LEU 45 -36.749 6.048 2.048 387 1HD2 LEU 45 HD21 LEU 45 -35.859 3.126 3.786 388 2HD2 LEU 45 HD22 LEU 45 -35.369 4.066 5.187 389 3HD2 LEU 45 HD23 LEU 45 -34.156 3.449 4.076 390 H THR 46 HN THR 46 -35.488 5.484 -0.510 391 HA THR 46 HA THR 46 -38.292 5.454 -0.131 392 HB THR 46 HB THR 46 -36.775 5.994 -2.755 393 HG1 THR 46 HG1 THR 46 -37.113 7.293 -0.300 394 1HG2 THR 46 HG21 THR 46 -39.264 6.055 -3.018 395 2HG2 THR 46 HG22 THR 46 -38.661 7.709 -2.976 396 3HG2 THR 46 HG23 THR 46 -39.413 7.009 -1.546 397 H LYS 47 HN LYS 47 -36.228 3.430 -2.137 398 HA LYS 47 HA LYS 47 -38.389 2.188 -3.589 399 1HB LYS 47 HB1 LYS 47 -36.623 0.425 -4.083 400 2HB LYS 47 HB2 LYS 47 -35.552 1.242 -2.955 401 1HG LYS 47 HG1 LYS 47 -35.713 3.316 -4.302 402 2HG LYS 47 HG2 LYS 47 -36.785 2.496 -5.432 403 1HD LYS 47 HD1 LYS 47 -35.076 1.288 -6.381 404 2HD LYS 47 HD2 LYS 47 -34.206 1.126 -4.861 405 1HE LYS 47 HE1 LYS 47 -33.160 2.653 -6.676 406 2HE LYS 47 HE2 LYS 47 -33.252 3.287 -5.038 407 1HZ LYS 47 HZ1 LYS 47 -35.645 3.870 -6.389 408 2HZ LYS 47 HZ2 LYS 47 -34.338 4.372 -7.351 409 3HZ LYS 47 HZ3 LYS 47 -34.490 4.944 -5.759 410 H HIS 48 HN HIS 48 -36.724 1.412 -0.568 411 HA HIS 48 HA HIS 48 -38.014 -1.157 -0.248 412 1HB HIS 48 HB1 HIS 48 -36.735 0.743 1.783 413 2HB HIS 48 HB2 HIS 48 -35.944 -0.613 0.988 414 HD1 HIS 48 HD1 HIS 48 -37.398 -2.939 1.512 415 HD2 HIS 48 HD2 HIS 48 -37.714 0.066 4.266 416 HE1 HIS 48 HE1 HIS 48 -38.182 -4.016 3.566 417 H MET 49 HN MET 49 -38.837 2.135 0.609 418 HA MET 49 HA MET 49 -41.114 1.264 2.255 419 1HB MET 49 HB1 MET 49 -41.563 3.804 2.263 420 2HB MET 49 HB2 MET 49 -40.097 3.981 1.306 421 1HG MET 49 HG1 MET 49 -39.552 4.293 3.640 422 2HG MET 49 HG2 MET 49 -38.816 2.823 3.062 423 1HE MET 49 HE1 MET 49 -39.670 4.232 6.026 424 2HE MET 49 HE2 MET 49 -41.087 3.476 6.756 425 3HE MET 49 HE3 MET 49 -41.275 4.541 5.364 426 H LYS 50 HN LYS 50 -40.479 2.133 -1.026 427 HA LYS 50 HA LYS 50 -43.071 3.007 -1.814 428 1HB LYS 50 HB1 LYS 50 -41.172 1.302 -3.493 429 2HB LYS 50 HB2 LYS 50 -40.894 3.013 -3.199 430 1HG LYS 50 HG1 LYS 50 -42.981 3.610 -4.269 431 2HG LYS 50 HG2 LYS 50 -43.462 1.921 -4.384 432 1HD LYS 50 HD1 LYS 50 -41.842 1.448 -6.041 433 2HD LYS 50 HD2 LYS 50 -40.897 2.882 -5.654 434 1HE LYS 50 HE1 LYS 50 -42.693 4.324 -6.526 435 2HE LYS 50 HE2 LYS 50 -43.682 2.910 -6.867 436 1HZ LYS 50 HZ1 LYS 50 -41.496 2.249 -8.181 437 2HZ LYS 50 HZ2 LYS 50 -41.358 3.938 -8.283 438 3HZ LYS 50 HZ3 LYS 50 -42.745 3.161 -8.882 439 H SER 51 HN SER 51 -41.663 -0.238 -1.623 440 HA SER 51 HA SER 51 -43.903 -1.622 -2.732 441 1HB SER 51 HB1 SER 51 -41.910 -2.597 -0.610 442 2HB SER 51 HB2 SER 51 -41.642 -2.674 -2.363 443 HG SER 51 HG1 SER 51 -43.353 -4.138 -0.753 444 H LYS 52 HN LYS 52 -45.285 -3.148 -1.444 445 HA LYS 52 HA LYS 52 -46.553 -1.597 0.720 446 1HB LYS 52 HB1 LYS 52 -48.274 -3.492 0.557 447 2HB LYS 52 HB2 LYS 52 -47.299 -4.174 -0.740 448 1HG LYS 52 HG1 LYS 52 -48.735 -2.867 -2.001 449 2HG LYS 52 HG2 LYS 52 -47.472 -1.681 -1.689 450 1HD LYS 52 HD1 LYS 52 -48.741 -0.869 0.287 451 2HD LYS 52 HD2 LYS 52 -50.010 -2.038 -0.056 452 1HE LYS 52 HE1 LYS 52 -49.111 -0.052 -2.147 453 2HE LYS 52 HE2 LYS 52 -50.327 0.376 -0.951 454 1HZ LYS 52 HZ1 LYS 52 -51.605 -1.582 -1.671 455 2HZ LYS 52 HZ2 LYS 52 -50.467 -1.851 -2.902 456 3HZ LYS 52 HZ3 LYS 52 -51.401 -0.431 -2.903 457 H ALA 53 HN ALA 53 -43.934 -3.121 1.002 458 HA ALA 53 HA ALA 53 -44.095 -5.429 2.521 459 1HB ALA 53 HB1 ALA 53 -42.068 -4.555 3.750 460 2HB ALA 53 HB2 ALA 53 -42.379 -2.957 3.079 461 3HB ALA 53 HB3 ALA 53 -41.947 -4.290 2.013 462 H HIS 54 HN HIS 54 -43.622 -2.410 4.305 463 HA HIS 54 HA HIS 54 -45.988 -3.004 5.943 464 1HB HIS 54 HB1 HIS 54 -44.565 -4.157 7.357 465 2HB HIS 54 HB2 HIS 54 -44.256 -2.541 7.969 466 HD1 HIS 54 HD1 HIS 54 -42.629 -5.280 6.280 467 HD2 HIS 54 HD2 HIS 54 -41.744 -1.346 6.974 468 HE1 HIS 54 HE1 HIS 54 -40.216 -5.082 5.943 469 H SER 55 HN SER 55 -46.820 -1.095 5.194 470 HA SER 55 HA SER 55 -45.673 1.321 6.502 471 1HB SER 55 HB1 SER 55 -46.044 2.630 4.425 472 2HB SER 55 HB2 SER 55 -46.721 1.202 3.618 473 HG SER 55 HG1 SER 55 -44.100 1.557 4.645 474 H LYS 56 HN LYS 56 -47.512 0.457 7.908 475 HA LYS 56 HA LYS 56 -50.224 0.906 6.953 476 1HB LYS 56 HB1 LYS 56 -50.673 0.695 9.527 477 2HB LYS 56 HB2 LYS 56 -48.955 0.331 9.659 478 1HG LYS 56 HG1 LYS 56 -49.213 -1.536 8.069 479 2HG LYS 56 HG2 LYS 56 -50.923 -1.160 7.890 480 1HD LYS 56 HD1 LYS 56 -51.247 -1.564 10.325 481 2HD LYS 56 HD2 LYS 56 -49.546 -1.994 10.464 482 1HE LYS 56 HE1 LYS 56 -49.826 -3.891 8.998 483 2HE LYS 56 HE2 LYS 56 -51.455 -3.387 8.566 484 1HZ LYS 56 HZ1 LYS 56 -51.712 -5.070 10.140 485 2HZ LYS 56 HZ2 LYS 56 -51.983 -3.633 11.003 486 3HZ LYS 56 HZ3 LYS 56 -50.499 -4.446 11.153 487 H LYS 57 HN LYS 57 -49.178 3.171 6.293 488 HA LYS 57 HA LYS 57 -50.445 5.074 8.095 489 1HB LYS 57 HB1 LYS 57 -47.546 5.533 7.302 490 2HB LYS 57 HB2 LYS 57 -47.970 4.741 8.815 491 1HG LYS 57 HG1 LYS 57 -48.962 6.669 9.698 492 2HG LYS 57 HG2 LYS 57 -49.275 7.357 8.109 493 1HD LYS 57 HD1 LYS 57 -46.938 7.866 7.785 494 2HD LYS 57 HD2 LYS 57 -46.482 6.951 9.218 495 1HE LYS 57 HE1 LYS 57 -47.846 8.542 10.602 496 2HE LYS 57 HE2 LYS 57 -48.137 9.495 9.151 497 1HZ LYS 57 HZ1 LYS 57 -46.240 10.207 10.627 498 2HZ LYS 57 HZ2 LYS 57 -45.890 10.040 8.974 499 3HZ LYS 57 LYS 57 -45.407 8.836 10.069 Start of MODEL 50 Raw file had 499 H/Q atoms Start of MODEL 50 1 1H LYS 1 HT1 LYS 1 -7.972 -2.260 -10.491 2 2H LYS 1 HT2 LYS 1 -7.669 -3.872 -10.930 3 3H LYS 1 HT3 LYS 1 -8.227 -3.507 -9.369 4 HA LYS 1 HA LYS 1 -9.770 -2.909 -11.822 5 1HB LYS 1 HB1 LYS 1 -9.721 -5.289 -11.851 6 2HB LYS 1 HB2 LYS 1 -11.157 -4.959 -10.892 7 1HG LYS 1 HG1 LYS 1 -10.180 -6.354 -9.371 8 2HG LYS 1 HG2 LYS 1 -9.219 -4.941 -8.952 9 1HD LYS 1 HD1 LYS 1 -7.558 -5.658 -10.730 10 2HD LYS 1 HD2 LYS 1 -8.475 -7.150 -10.895 11 1HE LYS 1 HE1 LYS 1 -7.256 -6.150 -8.300 12 2HE LYS 1 HE2 LYS 1 -6.544 -7.387 -9.328 13 1HZ LYS 1 HZ1 LYS 1 -8.492 -8.754 -9.003 14 2HZ LYS 1 HZ2 LYS 1 -9.213 -7.553 -8.043 15 3HZ LYS 1 HZ3 LYS 1 -7.808 -8.340 -7.505 16 OH TYR 2 OH TYR 2 -8.150 2.227 -9.440 17 H TYR 2 HN TYR 2 -12.192 -3.150 -11.024 18 HA TYR 2 HA TYR 2 -12.521 -2.055 -8.296 19 1HB TYR 2 HB1 TYR 2 -13.810 -0.104 -9.191 20 2HB TYR 2 HB2 TYR 2 -13.405 -0.602 -10.832 21 HD1 TYR 2 HD2 TYR 2 -11.934 0.536 -7.618 22 HD2 TYR 2 HD1 TYR 2 -11.271 -0.077 -11.773 23 HE1 TYR 2 HE2 TYR 2 -9.822 1.771 -7.463 24 HE2 TYR 2 HE1 TYR 2 -9.153 1.147 -11.617 25 HH TYR 2 HH TYR 2 -8.351 3.160 -9.345 26 H ILE 3 HN ILE 3 -13.356 -4.501 -9.094 27 HA ILE 3 HA ILE 3 -16.299 -4.169 -9.523 28 HB ILE 3 HB ILE 3 -14.713 -6.732 -9.925 29 1HG1 ILE 3 HG11 ILE 3 -13.606 -5.150 -11.359 30 2HG1 ILE 3 HG12 ILE 3 -15.135 -4.440 -11.865 31 1HG2 ILE 3 HG21 ILE 3 -17.335 -6.521 -9.840 32 2HG2 ILE 3 HG22 ILE 3 -16.639 -7.393 -11.202 33 3HG2 ILE 3 HG23 ILE 3 -17.181 -5.730 -11.406 34 1HD1 ILE 3 HD1 ILE 3 -14.002 -6.155 -13.462 35 2HD1 ILE 3 HD2 ILE 3 -15.727 -6.332 -13.153 36 3HD1 ILE 3 HD3 ILE 3 -14.573 -7.370 -12.322 37 H CYS 4 HN CYS 4 -17.302 -4.279 -7.563 38 HA CYS 4 HA CYS 4 -16.185 -5.442 -5.254 39 1HB CYS 4 HB1 CYS 4 -19.089 -5.076 -6.037 40 2HB CYS 4 HB2 CYS 4 -18.132 -3.998 -5.064 41 H GLU 5 HN GLU 5 -15.565 -7.433 -5.005 42 HA GLU 5 HA GLU 5 -16.389 -9.625 -6.591 43 1HB GLU 5 HB1 GLU 5 -15.282 -11.002 -4.771 44 2HB GLU 5 HB2 GLU 5 -15.160 -9.541 -3.799 45 1HG GLU 5 HG1 GLU 5 -13.047 -9.855 -4.967 46 2HG GLU 5 HG2 GLU 5 -13.870 -8.475 -5.690 47 H GLU 6 HN GLU 6 -17.959 -8.127 -3.945 48 HA GLU 6 HA GLU 6 -19.482 -10.515 -3.246 49 1HB GLU 6 HB1 GLU 6 -20.150 -7.715 -2.321 50 2HB GLU 6 HB2 GLU 6 -18.722 -8.518 -1.686 51 1HG GLU 6 HG1 GLU 6 -21.450 -9.832 -1.680 52 2HG GLU 6 HG2 GLU 6 -20.878 -8.841 -0.339 53 H CYS 7 HN CYS 7 -20.529 -7.222 -4.131 54 HA CYS 7 HA CYS 7 -23.067 -8.269 -5.123 55 1HB CYS 7 HB1 CYS 7 -23.620 -5.981 -5.556 56 2HB CYS 7 HB2 CYS 7 -21.950 -5.510 -5.662 57 H GLY 8 HN GLY 8 -20.269 -6.648 -6.572 58 1HA GLY 8 HA1 GLY 8 -20.988 -7.914 -9.183 59 2HA GLY 8 HA2 GLY 8 -19.340 -7.546 -8.687 60 H ILE 9 HN ILE 9 -20.674 -4.970 -7.506 61 HA ILE 9 HA ILE 9 -21.632 -3.412 -9.651 62 HB ILE 9 HB ILE 9 -21.523 -2.876 -7.083 63 1HG1 ILE 9 HG11 ILE 9 -20.917 -0.805 -9.221 64 2HG1 ILE 9 HG12 ILE 9 -21.382 -0.388 -7.578 65 1HG2 ILE 9 HG21 ILE 9 -18.936 -1.495 -7.935 66 2HG2 ILE 9 HG22 ILE 9 -18.919 -3.075 -7.171 67 3HG2 ILE 9 HG23 ILE 9 -19.569 -1.696 -6.313 68 1HD1 ILE 9 HD1 ILE 9 -23.069 -1.210 -9.790 69 2HD1 ILE 9 HD2 ILE 9 -23.544 -0.586 -8.216 70 3HD1 ILE 9 HD3 ILE 9 -23.280 -2.311 -8.436 71 NH1 ARG 10 NH2 ARG 10 -20.639 -5.018 -16.013 72 NH2 ARG 10 NH1 ARG 10 -19.183 -5.161 -17.769 73 H ARG 10 HN ARG 10 -20.679 -2.610 -11.408 74 HA ARG 10 HA ARG 10 -17.709 -2.785 -11.566 75 1HB ARG 10 HB1 ARG 10 -19.737 -2.317 -13.804 76 2HB ARG 10 HB2 ARG 10 -19.204 -3.916 -13.306 77 1HG ARG 10 HG1 ARG 10 -16.782 -2.877 -13.671 78 2HG ARG 10 HG2 ARG 10 -17.654 -1.749 -14.702 79 1HD ARG 10 HD1 ARG 10 -17.766 -4.779 -14.936 80 2HD ARG 10 HD2 ARG 10 -16.842 -3.712 -15.990 81 HE ARG 10 HE ARG 10 -19.235 -2.654 -16.407 82 1HH1 ARG 10 HH21 ARG 10 -20.924 -4.558 -15.172 83 2HH1 ARG 10 HH22 ARG 10 -21.155 -5.805 -16.352 84 1HH2 ARG 10 HH11 ARG 10 -18.376 -4.808 -18.244 85 2HH2 ARG 10 HH12 ARG 10 -19.675 -5.950 -18.137 86 H ABA 11 HN ABU 11 -16.845 -0.927 -10.839 87 HA ABA 11 HA ABU 11 -17.858 1.619 -12.067 88 1HB ABA 11 HB1 ABU 11 -17.251 2.763 -9.986 89 2HB ABA 11 HB2 ABU 11 -16.547 1.301 -9.329 90 1HG ABA 11 HG1 ABU 11 -18.835 0.226 -9.509 91 2HG ABA 11 HG2 ABU 11 -19.476 1.809 -9.928 92 3HG ABA 11 HG3 ABU 11 -18.745 1.543 -8.348 93 H LYS 12 HN LYS 12 -16.407 1.950 -13.638 94 HA LYS 12 HA LYS 12 -13.664 1.237 -13.539 95 1HB LYS 12 HB1 LYS 12 -13.494 2.895 -15.483 96 2HB LYS 12 HB2 LYS 12 -15.182 3.296 -15.191 97 1HG LYS 12 HG1 LYS 12 -15.884 1.036 -15.660 98 2HG LYS 12 HG2 LYS 12 -14.220 0.462 -15.678 99 1HD LYS 12 HD1 LYS 12 -13.759 1.904 -17.651 100 2HD LYS 12 HD2 LYS 12 -15.435 2.438 -17.642 101 1HE LYS 12 HE1 LYS 12 -16.246 0.307 -18.253 102 2HE LYS 12 HE2 LYS 12 -14.770 -0.502 -17.743 103 1HZ LYS 12 HZ1 LYS 12 -15.154 -0.187 -20.217 104 2HZ LYS 12 HZ2 LYS 12 -13.626 0.233 -19.605 105 3HZ LYS 12 HZ3 LYS 12 -14.762 1.445 -19.959 106 H LYS 13 HN LYS 13 -14.964 3.282 -11.449 107 HA LYS 13 HA LYS 13 -12.533 5.005 -11.428 108 1HB LYS 13 HB1 LYS 13 -14.136 6.798 -10.432 109 2HB LYS 13 HB2 LYS 13 -15.441 5.770 -11.016 110 1HG LYS 13 HG1 LYS 13 -14.542 5.897 -13.305 111 2HG LYS 13 HG2 LYS 13 -13.195 6.878 -12.736 112 1HD LYS 13 HD1 LYS 13 -14.672 8.683 -12.116 113 2HD LYS 13 HD2 LYS 13 -16.096 7.682 -12.373 114 1HE LYS 13 HE1 LYS 13 -15.943 7.816 -14.684 115 2HE LYS 13 HE2 LYS 13 -14.198 8.031 -14.661 116 1HZ LYS 13 HZ1 LYS 13 -15.237 10.217 -13.353 117 2HZ LYS 13 HZ2 LYS 13 -16.241 9.990 -14.704 118 3HZ LYS 13 HZ3 LYS 13 -14.566 10.179 -14.913 119 HA PRO 14 HA PRO 14 -12.095 3.552 -7.239 120 1HB PRO 14 HB1 PRO 14 -10.057 4.518 -6.771 121 2HB PRO 14 HB2 PRO 14 -10.908 5.958 -6.209 122 1HG PRO 14 HG1 PRO 14 -9.262 5.781 -8.518 123 2HG PRO 14 HG2 PRO 14 -10.333 7.121 -8.106 124 1HD PRO 14 HD1 PRO 14 -11.592 6.562 -9.941 125 2HD PRO 14 HD2 PRO 14 -10.667 5.063 -10.161 126 H SER 15 HN SER 15 -12.538 7.079 -6.967 127 HA SER 15 HA SER 15 -13.914 7.349 -4.650 128 1HB SER 15 HB1 SER 15 -13.512 9.155 -6.471 129 2HB SER 15 HB2 SER 15 -15.073 9.287 -5.638 130 HG SER 15 HG1 SER 15 -15.949 8.944 -7.509 131 H MET 16 HN MET 16 -15.374 6.111 -7.635 132 HA MET 16 HA MET 16 -18.016 5.882 -6.476 133 1HB MET 16 HB1 MET 16 -18.264 4.227 -8.495 134 2HB MET 16 HB2 MET 16 -16.637 4.743 -8.931 135 1HG MET 16 HG1 MET 16 -18.280 6.115 -10.087 136 2HG MET 16 HG2 MET 16 -17.370 7.077 -8.953 137 1HE MET 16 HE1 MET 16 -20.696 5.787 -10.167 138 2HE MET 16 HE2 MET 16 -20.206 7.418 -10.626 139 3HE MET 16 HE3 MET 16 -21.654 7.174 -9.648 140 H LEU 17 HN LEU 17 -15.579 3.396 -7.335 141 HA LEU 17 HA LEU 17 -16.958 1.285 -5.999 142 1HB LEU 17 HB1 LEU 17 -13.936 1.447 -6.244 143 2HB LEU 17 HB2 LEU 17 -14.920 1.240 -7.673 144 HG LEU 17 HG LEU 17 -14.084 -0.936 -6.743 145 1HD1 LEU 17 HD11 LEU 17 -15.978 -0.491 -4.429 146 2HD1 LEU 17 HD12 LEU 17 -14.267 -0.105 -4.329 147 3HD1 LEU 17 HD13 LEU 17 -14.781 -1.759 -4.631 148 1HD2 LEU 17 HD21 LEU 17 -17.065 -1.004 -6.345 149 2HD2 LEU 17 HD22 LEU 17 -16.027 -2.108 -7.235 150 3HD2 LEU 17 HD23 LEU 17 -16.432 -0.539 -7.913 151 H LYS 18 HN LYS 18 -14.079 3.110 -5.047 152 HA LYS 18 HA LYS 18 -13.534 2.287 -2.528 153 1HB LYS 18 HB1 LYS 18 -13.946 5.245 -3.173 154 2HB LYS 18 HB2 LYS 18 -12.577 4.320 -3.777 155 1HG LYS 18 HG1 LYS 18 -13.160 4.244 -0.836 156 2HG LYS 18 HG2 LYS 18 -12.395 5.682 -1.503 157 1HD LYS 18 HD1 LYS 18 -11.310 3.002 -2.294 158 2HD LYS 18 HD2 LYS 18 -10.930 3.613 -0.688 159 1HE LYS 18 HE1 LYS 18 -9.843 5.535 -1.551 160 2HE LYS 18 HE2 LYS 18 -10.580 5.348 -3.136 161 1HZ LYS 18 HZ1 LYS 18 -8.836 3.224 -2.111 162 2HZ LYS 18 HZ2 LYS 18 -8.136 4.639 -2.739 163 3HZ LYS 18 HZ3 LYS 18 -9.147 3.687 -3.716 164 H LYS 19 HN LYS 19 -16.176 4.568 -3.267 165 HA LYS 19 HA LYS 19 -17.068 4.651 -0.541 166 1HB LYS 19 HB1 LYS 19 -19.183 5.622 -1.632 167 2HB LYS 19 HB2 LYS 19 -18.411 5.342 -3.189 168 1HG LYS 19 HG1 LYS 19 -16.441 6.707 -2.331 169 2HG LYS 19 HG2 LYS 19 -17.442 7.145 -0.952 170 1HD LYS 19 HD1 LYS 19 -19.159 8.052 -2.503 171 2HD LYS 19 HD2 LYS 19 -18.122 7.648 -3.868 172 1HE LYS 19 HE1 LYS 19 -16.348 9.051 -2.411 173 2HE LYS 19 HE2 LYS 19 -17.825 9.813 -1.837 174 1HZ LYS 19 HZ1 LYS 19 -16.487 10.245 -4.241 175 2HZ LYS 19 HZ2 LYS 19 -17.926 10.964 -3.698 176 3HZ LYS 19 HZ3 LYS 19 -17.983 9.537 -4.619 177 H HIS 20 HN HIS 20 -18.015 2.806 -3.390 178 HA HIS 20 HA HIS 20 -20.309 1.546 -2.306 179 1HB HIS 20 HB1 HIS 20 -18.250 0.488 -4.287 180 2HB HIS 20 HB2 HIS 20 -19.727 1.350 -4.707 181 HD1 HIS 20 HD1 HIS 20 -21.661 -0.208 -5.027 182 HD2 HIS 20 HD2 HIS 20 -18.706 -2.020 -2.899 183 HE1 HIS 20 HE1 HIS 20 -22.417 -2.515 -4.695 184 H ILE 21 HN ILE 21 -16.924 0.414 -2.388 185 HA ILE 21 HA ILE 21 -17.420 -1.984 -0.963 186 HB ILE 21 HB ILE 21 -15.214 -0.995 -2.175 187 1HG1 ILE 21 HG11 ILE 21 -15.287 -2.932 0.167 188 2HG1 ILE 21 HG12 ILE 21 -13.890 -2.734 -0.883 189 1HG2 ILE 21 HG21 ILE 21 -13.554 -0.212 -0.611 190 2HG2 ILE 21 HG22 ILE 21 -14.505 -0.709 0.783 191 3HG2 ILE 21 HG23 ILE 21 -14.997 0.673 -0.175 192 1HD1 ILE 21 HD1 ILE 21 -14.827 -4.190 -2.337 193 2HD1 ILE 21 HD2 ILE 21 -16.144 -3.054 -2.597 194 3HD1 ILE 21 HD3 ILE 21 -16.278 -4.285 -1.348 195 NH1 ARG 22 NH2 ARG 22 -13.195 3.570 4.372 196 NH2 ARG 22 NH1 ARG 22 -11.620 3.592 2.717 197 H ARG 22 HN ARG 22 -16.994 1.305 0.161 198 HA ARG 22 HA ARG 22 -16.628 0.561 2.956 199 1HB ARG 22 HB1 ARG 22 -17.395 3.063 3.237 200 2HB ARG 22 HB2 ARG 22 -17.355 3.122 1.479 201 1HG ARG 22 HG1 ARG 22 -15.000 2.444 1.476 202 2HG ARG 22 HG2 ARG 22 -15.026 2.254 3.226 203 1HD ARG 22 HD1 ARG 22 -15.396 4.625 3.549 204 2HD ARG 22 HD2 ARG 22 -15.649 4.874 1.822 205 HE ARG 22 HE ARG 22 -13.316 5.088 1.668 206 1HH1 ARG 22 HH21 ARG 22 -14.117 3.806 4.680 207 2HH1 ARG 22 HH22 ARG 22 -12.567 3.096 4.989 208 1HH2 ARG 22 HH11 ARG 22 -11.359 3.845 1.786 209 2HH2 ARG 22 HH12 ARG 22 -10.965 3.118 3.308 210 H THR 23 HN THR 23 -19.371 0.860 0.873 211 HA THR 23 HA THR 23 -21.296 1.384 2.948 212 HB THR 23 HB THR 23 -21.733 -0.092 0.277 213 HG1 THR 23 HG1 THR 23 -22.239 2.138 -0.305 214 1HG2 THR 23 HG21 THR 23 -23.883 -0.134 1.309 215 2HG2 THR 23 HG22 THR 23 -23.914 1.508 0.681 216 3HG2 THR 23 HG23 THR 23 -23.508 1.218 2.369 217 H HIS 24 HN HIS 24 -19.565 -1.467 2.055 218 HA HIS 24 HA HIS 24 -21.546 -3.318 3.166 219 1HB HIS 24 HB1 HIS 24 -19.454 -4.900 3.100 220 2HB HIS 24 HB2 HIS 24 -18.632 -3.561 2.304 221 HD1 HIS 24 HD1 HIS 24 -21.787 -5.540 1.763 222 HD2 HIS 24 HD2 HIS 24 -18.995 -3.507 -0.399 223 HE1 HIS 24 HE1 HIS 24 -22.379 -5.907 -0.607 224 H THR 25 HN THR 25 -20.149 -0.994 4.699 225 HA THR 25 HA THR 25 -19.045 -2.565 6.962 226 HB THR 25 HB THR 25 -18.393 -0.208 7.751 227 HG1 THR 25 HG1 THR 25 -20.019 0.241 5.547 228 1HG2 THR 25 HG21 THR 25 -16.738 -1.278 6.243 229 2HG2 THR 25 HG22 THR 25 -16.957 0.384 5.704 230 3HG2 THR 25 HG23 THR 25 -17.754 -0.931 4.847 231 H ASP 26 HN ASP 26 -20.245 0.439 7.780 232 HA ASP 26 HA ASP 26 -22.938 -0.439 8.508 233 1HB ASP 26 HB1 ASP 26 -22.375 0.247 10.989 234 2HB ASP 26 HB2 ASP 26 -20.695 -0.014 10.526 235 H VAL 27 HN VAL 27 -21.626 1.553 6.917 236 HA VAL 27 HA VAL 27 -22.219 4.066 8.383 237 HB VAL 27 HB VAL 27 -20.090 3.907 7.137 238 1HG1 VAL 27 HG11 VAL 27 -20.908 2.237 5.462 239 2HG1 VAL 27 HG12 VAL 27 -20.039 3.572 4.723 240 3HG1 VAL 27 HG13 VAL 27 -21.795 3.517 4.658 241 1HG2 VAL 27 HG21 VAL 27 -20.251 6.089 6.554 242 2HG2 VAL 27 HG22 VAL 27 -21.972 5.969 6.895 243 3HG2 VAL 27 HG23 VAL 27 -21.380 5.727 5.255 244 NH1 ARG 28 NH2 ARG 28 -25.631 -0.957 8.222 245 NH2 ARG 28 NH1 ARG 28 -25.070 -2.525 6.658 246 H ARG 28 HN ARG 28 -24.458 2.588 7.856 247 HA ARG 28 HA ARG 28 -25.783 4.031 5.598 248 1HB ARG 28 HB1 ARG 28 -27.482 2.101 5.886 249 2HB ARG 28 HB2 ARG 28 -26.295 1.358 6.948 250 1HG ARG 28 HG1 ARG 28 -24.702 1.944 4.841 251 2HG ARG 28 HG2 ARG 28 -26.229 1.723 3.997 252 1HD ARG 28 HD1 ARG 28 -25.017 -0.424 4.162 253 2HD ARG 28 HD2 ARG 28 -26.506 -0.486 5.102 254 HE ARG 28 HE ARG 28 -23.926 0.164 6.455 255 1HH1 ARG 28 HH21 ARG 28 -25.680 0.006 8.490 256 2HH1 ARG 28 HH22 ARG 28 -25.949 -1.668 8.849 257 1HH2 ARG 28 HH11 ARG 28 -24.699 -2.738 5.753 258 2HH2 ARG 28 HH12 ARG 28 -25.379 -3.262 7.258 259 HA PRO 29 HA PRO 29 -27.632 5.745 9.493 260 1HB PRO 29 HB1 PRO 29 -27.157 7.980 9.272 261 2HB PRO 29 HB2 PRO 29 -28.365 8.122 7.994 262 1HG PRO 29 HG1 PRO 29 -25.469 8.108 7.725 263 2HG PRO 29 HG2 PRO 29 -26.675 8.338 6.458 264 1HD PRO 29 HD1 PRO 29 -26.346 6.218 5.698 265 2HD PRO 29 HD2 PRO 29 -25.034 6.032 6.873 266 OH TYR 30 OH TYR 30 -30.010 10.909 3.179 267 H TYR 30 HN TYR 30 -28.920 5.863 6.189 268 HA TYR 30 HA TYR 30 -31.652 6.336 6.936 269 1HB TYR 30 HB1 TYR 30 -32.130 5.342 4.633 270 2HB TYR 30 HB2 TYR 30 -30.421 4.936 4.512 271 HD1 TYR 30 HD1 TYR 30 -32.698 7.834 5.130 272 HD2 TYR 30 HD2 TYR 30 -28.898 6.553 3.708 273 HE1 TYR 30 HE1 TYR 30 -32.213 10.113 4.371 274 HE2 TYR 30 HE2 TYR 30 -28.413 8.834 2.951 275 HH TYR 30 HH TYR 30 -30.806 11.260 2.770 276 H HIS 31 HN HIS 31 -32.428 5.028 8.533 277 HA HIS 31 HA HIS 31 -32.309 2.069 8.087 278 1HB HIS 31 HB1 HIS 31 -33.220 2.269 10.619 279 2HB HIS 31 HB2 HIS 31 -32.451 3.850 10.511 280 HD1 HIS 31 HD1 HIS 31 -31.606 0.619 11.404 281 HD2 HIS 31 HD2 HIS 31 -29.646 3.480 9.299 282 HE1 HIS 31 HE1 HIS 31 -29.270 -0.036 11.486 283 H CYS 32 HN CYS 32 -34.164 0.889 7.857 284 HA CYS 32 HA CYS 32 -36.569 2.186 7.079 285 1HB CYS 32 HB1 CYS 32 -35.862 -0.621 7.965 286 2HB CYS 32 HB2 CYS 32 -36.340 -0.072 6.382 287 H THR 33 HN THR 33 -38.625 2.238 8.149 288 HA THR 33 HA THR 33 -38.330 2.917 10.994 289 HB THR 33 HB THR 33 -40.690 3.045 9.025 290 HG1 THR 33 HG1 THR 33 -39.826 4.939 8.729 291 1HG2 THR 33 HG21 THR 33 -41.872 3.046 11.094 292 2HG2 THR 33 HG22 THR 33 -41.368 4.732 11.046 293 3HG2 THR 33 HG23 THR 33 -40.458 3.568 12.004 294 OH TYR 34 OH TYR 34 -44.920 1.993 9.792 295 H TYR 34 HN TYR 34 -38.283 0.091 9.796 296 HA TYR 34 HA TYR 34 -39.910 -1.097 11.951 297 1HB TYR 34 HB1 TYR 34 -41.001 -2.689 10.350 298 2HB TYR 34 HB2 TYR 34 -40.221 -1.864 9.005 299 HD1 TYR 34 HD2 TYR 34 -40.854 0.504 8.473 300 HD2 TYR 34 HD1 TYR 34 -42.941 -1.736 11.426 301 HE1 TYR 34 HE2 TYR 34 -42.716 2.098 8.370 302 HE2 TYR 34 HE1 TYR 34 -44.796 -0.135 11.325 303 HH TYR 34 HH TYR 34 -45.307 2.052 10.669 304 H CYS 35 HN CYS 35 -38.332 -2.293 8.997 305 HA CYS 35 HA CYS 35 -37.168 -4.572 10.247 306 1HB CYS 35 HB1 CYS 35 -35.798 -4.732 8.242 307 2HB CYS 35 HB2 CYS 35 -36.010 -3.040 7.895 308 H ASN 36 HN ASN 36 -34.618 -4.758 9.820 309 HA ASN 36 HA ASN 36 -33.386 -2.625 11.517 310 1HB ASN 36 HB1 ASN 36 -32.534 -5.542 11.132 311 2HB ASN 36 HB2 ASN 36 -33.480 -4.965 12.501 312 1HD2 ASN 36 HD21 ASN 36 -32.352 -2.859 13.544 313 2HD2 ASN 36 HD22 ASN 36 -30.685 -3.023 13.818 314 H PHE 37 HN PHE 37 -33.707 -3.404 8.455 315 HA PHE 37 HA PHE 37 -30.908 -3.444 7.601 316 1HB PHE 37 HB1 PHE 37 -33.227 -2.818 5.766 317 2HB PHE 37 HB2 PHE 37 -33.100 -4.441 6.438 318 HD1 PHE 37 HD2 PHE 37 -30.829 -5.663 6.152 319 HD2 PHE 37 HD1 PHE 37 -31.905 -2.207 3.908 320 HE1 PHE 37 HE2 PHE 37 -29.119 -6.215 4.477 321 HE2 PHE 37 HE1 PHE 37 -30.195 -2.764 2.235 322 HZ PHE 37 HZ PHE 37 -28.801 -4.767 2.519 323 H SER 38 HN SER 38 -30.015 -1.807 6.187 324 HA SER 38 HA SER 38 -31.295 0.848 6.399 325 1HB SER 38 HB1 SER 38 -28.385 0.387 7.197 326 2HB SER 38 HB2 SER 38 -29.702 0.483 8.378 327 HG SER 38 HG1 SER 38 -30.189 2.516 7.669 328 H PHE 39 HN PHE 39 -30.063 2.496 5.124 329 HA PHE 39 HA PHE 39 -28.624 1.250 2.826 330 1HB PHE 39 HB1 PHE 39 -30.030 2.446 1.281 331 2HB PHE 39 HB2 PHE 39 -30.675 3.476 2.560 332 HD1 PHE 39 HD2 PHE 39 -32.229 2.506 4.271 333 HD2 PHE 39 HD1 PHE 39 -30.946 0.233 0.906 334 HE1 PHE 39 HE2 PHE 39 -34.017 0.876 4.686 335 HE2 PHE 39 HE1 PHE 39 -32.755 -1.379 1.310 336 HZ PHE 39 HZ PHE 39 -34.296 -1.053 3.195 337 H LYS 40 HN LYS 40 -27.311 2.727 1.622 338 HA LYS 40 HA LYS 40 -26.080 4.759 3.358 339 1HB LYS 40 HB1 LYS 40 -25.425 3.679 0.574 340 2HB LYS 40 HB2 LYS 40 -24.643 3.228 2.075 341 1HG LYS 40 HG1 LYS 40 -24.531 5.960 0.750 342 2HG LYS 40 HG2 LYS 40 -23.215 4.806 0.883 343 1HD LYS 40 HD1 LYS 40 -23.682 4.946 3.450 344 2HD LYS 40 HD2 LYS 40 -24.484 6.457 3.052 345 1HE LYS 40 HE1 LYS 40 -21.595 5.748 2.909 346 2HE LYS 40 HE2 LYS 40 -22.349 7.281 3.323 347 1HZ LYS 40 HZ1 LYS 40 -22.964 7.470 0.929 348 2HZ LYS 40 HZ2 LYS 40 -21.973 6.126 0.624 349 3HZ LYS 40 HZ3 LYS 40 -21.299 7.554 1.247 350 H THR 41 HN THR 41 -28.379 4.643 0.834 351 HA THR 41 HA THR 41 -28.239 7.619 0.630 352 HB THR 41 HB THR 41 -28.427 7.523 -1.778 353 HG1 THR 41 HG1 THR 41 -28.737 5.077 -2.417 354 1HG2 THR 41 HG21 THR 41 -26.188 6.472 -0.855 355 2HG2 THR 41 HG22 THR 41 -26.624 6.026 -2.500 356 3HG2 THR 41 HG23 THR 41 -26.935 4.909 -1.175 357 H LYS 42 HN LYS 42 -30.180 8.642 0.051 358 HA LYS 42 HA LYS 42 -32.478 7.523 1.316 359 1HB LYS 42 HB1 LYS 42 -31.981 9.938 -0.456 360 2HB LYS 42 HB2 LYS 42 -32.298 9.917 1.272 361 1HG LYS 42 HG1 LYS 42 -34.586 8.849 0.607 362 2HG LYS 42 HG2 LYS 42 -34.229 9.469 -1.002 363 1HD LYS 42 HD1 LYS 42 -33.934 11.744 -0.049 364 2HD LYS 42 HD2 LYS 42 -34.324 11.118 1.549 365 1HE LYS 42 HE1 LYS 42 -36.328 10.327 -0.416 366 2HE LYS 42 HE2 LYS 42 -36.149 12.076 -0.354 367 1HZ LYS 42 HZ1 LYS 42 -37.688 10.717 1.305 368 2HZ LYS 42 HZ2 LYS 42 -36.939 12.181 1.730 369 3HZ LYS 42 HZ3 LYS 42 -36.247 10.704 2.203 370 H GLY 43 HN GLY 43 -31.190 7.266 -1.835 371 1HA GLY 43 HA1 GLY 43 -32.006 6.223 -3.775 372 2HA GLY 43 HA2 GLY 43 -33.585 6.872 -3.347 373 H ASN 44 HN ASN 44 -31.344 4.225 -2.651 374 HA ASN 44 HA ASN 44 -33.094 2.119 -2.962 375 1HB ASN 44 HB1 ASN 44 -31.641 0.931 -1.206 376 2HB ASN 44 HB2 ASN 44 -30.847 2.476 -0.923 377 1HD2 ASN 44 HD21 ASN 44 -28.924 1.074 -1.756 378 2HD2 ASN 44 HD22 ASN 44 -28.662 1.063 -3.433 379 H LEU 45 HN LEU 45 -32.832 4.254 -0.197 380 HA LEU 45 HA LEU 45 -34.426 2.710 1.596 381 1HB LEU 45 HB1 LEU 45 -33.994 5.735 1.333 382 2HB LEU 45 HB2 LEU 45 -33.086 4.644 2.358 383 HG LEU 45 HG LEU 45 -34.613 5.711 3.836 384 1HD1 LEU 45 HD11 LEU 45 -36.670 6.521 3.284 385 2HD1 LEU 45 HD12 LEU 45 -37.160 5.034 2.490 386 3HD1 LEU 45 HD13 LEU 45 -36.191 6.210 1.623 387 1HD2 LEU 45 HD21 LEU 45 -34.512 3.161 3.935 388 2HD2 LEU 45 HD22 LEU 45 -36.077 3.148 3.137 389 3HD2 LEU 45 HD23 LEU 45 -35.903 3.903 4.714 390 H THR 46 HN THR 46 -35.283 5.352 -0.622 391 HA THR 46 HA THR 46 -38.063 5.379 -0.082 392 HB THR 46 HB THR 46 -36.529 5.962 -2.687 393 HG1 THR 46 HG1 THR 46 -37.604 7.528 -0.563 394 1HG2 THR 46 HG21 THR 46 -39.428 6.268 -1.841 395 2HG2 THR 46 HG22 THR 46 -38.787 5.982 -3.456 396 3HG2 THR 46 HG23 THR 46 -38.703 7.592 -2.747 397 H LYS 47 HN LYS 47 -36.132 3.319 -2.178 398 HA LYS 47 HA LYS 47 -38.336 2.112 -3.562 399 1HB LYS 47 HB1 LYS 47 -36.612 0.218 -3.907 400 2HB LYS 47 HB2 LYS 47 -35.507 1.167 -2.919 401 1HG LYS 47 HG1 LYS 47 -35.638 3.035 -4.477 402 2HG LYS 47 HG2 LYS 47 -36.884 2.217 -5.411 403 1HD LYS 47 HD1 LYS 47 -35.212 0.338 -5.794 404 2HD LYS 47 HD2 LYS 47 -33.987 1.383 -5.083 405 1HE LYS 47 HE1 LYS 47 -35.408 1.631 -7.698 406 2HE LYS 47 HE2 LYS 47 -33.735 1.997 -7.297 407 1HZ LYS 47 HZ1 LYS 47 -34.357 4.014 -6.296 408 2HZ LYS 47 HZ2 LYS 47 -36.008 3.618 -6.318 409 3HZ LYS 47 HZ3 LYS 47 -35.196 3.951 -7.771 410 H HIS 48 HN HIS 48 -36.584 1.186 -0.608 411 HA HIS 48 HA HIS 48 -37.950 -1.271 -0.176 412 1HB HIS 48 HB1 HIS 48 -36.832 0.737 1.850 413 2HB HIS 48 HB2 HIS 48 -35.957 -0.620 1.148 414 HD1 HIS 48 HD1 HIS 48 -37.715 -2.891 1.544 415 HD2 HIS 48 HD2 HIS 48 -37.583 0.028 4.402 416 HE1 HIS 48 HE1 HIS 48 -38.517 -3.956 3.596 417 H MET 49 HN MET 49 -38.810 2.045 0.630 418 HA MET 49 HA MET 49 -41.130 1.297 2.204 419 1HB MET 49 HB1 MET 49 -41.719 3.758 1.870 420 2HB MET 49 HB2 MET 49 -40.323 3.895 0.808 421 1HG MET 49 HG1 MET 49 -39.800 4.606 3.111 422 2HG MET 49 HG2 MET 49 -38.828 3.255 2.593 423 1HE MET 49 HE1 MET 49 -39.351 4.574 5.497 424 2HE MET 49 HE2 MET 49 -40.567 3.767 6.487 425 3HE MET 49 HE3 MET 49 -41.065 4.790 5.139 426 H LYS 50 HN LYS 50 -40.522 2.040 -1.168 427 HA LYS 50 HA LYS 50 -43.074 2.511 -2.161 428 1HB LYS 50 HB1 LYS 50 -41.099 0.568 -3.443 429 2HB LYS 50 HB2 LYS 50 -40.853 2.309 -3.455 430 1HG LYS 50 HG1 LYS 50 -43.545 1.396 -4.322 431 2HG LYS 50 HG2 LYS 50 -42.225 0.960 -5.399 432 1HD LYS 50 HD1 LYS 50 -41.490 3.350 -5.424 433 2HD LYS 50 HD2 LYS 50 -42.869 3.762 -4.410 434 1HE LYS 50 HE1 LYS 50 -42.834 2.837 -7.275 435 2HE LYS 50 HE2 LYS 50 -43.690 4.200 -6.567 436 1HZ LYS 50 HZ1 LYS 50 -44.958 2.402 -5.281 437 2HZ LYS 50 HZ2 LYS 50 -44.370 1.339 -6.467 438 3HZ LYS 50 HZ3 LYS 50 -45.342 2.657 -6.916 439 H SER 51 HN SER 51 -41.598 -0.731 -1.923 440 HA SER 51 HA SER 51 -43.847 -2.241 -2.604 441 1HB SER 51 HB1 SER 51 -42.164 -3.199 -0.284 442 2HB SER 51 HB2 SER 51 -41.350 -2.918 -1.835 443 HG SER 51 HG1 SER 51 -42.190 -4.808 -2.297 444 H LYS 52 HN LYS 52 -45.453 -3.303 -1.371 445 HA LYS 52 HA LYS 52 -46.573 -1.613 0.718 446 1HB LYS 52 HB1 LYS 52 -48.171 -3.803 0.776 447 2HB LYS 52 HB2 LYS 52 -47.375 -4.130 -0.754 448 1HG LYS 52 HG1 LYS 52 -48.739 -1.489 -0.088 449 2HG LYS 52 HG2 LYS 52 -49.524 -2.796 -0.956 450 1HD LYS 52 HD1 LYS 52 -48.641 -1.983 -2.867 451 2HD LYS 52 HD2 LYS 52 -47.047 -2.410 -2.267 452 1HE LYS 52 HE1 LYS 52 -47.149 -0.013 -2.855 453 2HE LYS 52 HE2 LYS 52 -46.884 -0.219 -1.130 454 1HZ LYS 52 HZ1 LYS 52 -49.634 -0.195 -1.567 455 2HZ LYS 52 HZ2 LYS 52 -48.975 1.116 -2.424 456 3HZ LYS 52 HZ3 LYS 52 -48.690 0.962 -0.757 457 H ALA 53 HN ALA 53 -43.981 -3.101 1.127 458 HA ALA 53 HA ALA 53 -44.102 -5.244 2.869 459 1HB ALA 53 HB1 ALA 53 -41.979 -4.124 2.210 460 2HB ALA 53 HB2 ALA 53 -42.062 -4.256 3.963 461 3HB ALA 53 HB3 ALA 53 -42.402 -2.717 3.179 462 H HIS 54 HN HIS 54 -43.609 -2.078 4.368 463 HA HIS 54 HA HIS 54 -46.002 -2.383 6.009 464 1HB HIS 54 HB1 HIS 54 -44.743 -3.727 7.434 465 2HB HIS 54 HB2 HIS 54 -44.304 -2.155 8.085 466 HD1 HIS 54 HD1 HIS 54 -42.837 -5.051 6.578 467 HD2 HIS 54 HD2 HIS 54 -41.717 -1.140 6.978 468 HE1 HIS 54 HE1 HIS 54 -40.414 -5.025 6.230 469 H SER 55 HN SER 55 -46.580 -0.358 5.317 470 HA SER 55 HA SER 55 -45.206 1.849 6.712 471 1HB SER 55 HB1 SER 55 -44.034 2.073 4.630 472 2HB SER 55 HB2 SER 55 -45.430 3.135 4.366 473 HG SER 55 HG1 SER 55 -45.002 0.486 3.507 474 H LYS 56 HN LYS 56 -47.323 1.509 7.814 475 HA LYS 56 HA LYS 56 -49.748 2.257 6.388 476 1HB LYS 56 HB1 LYS 56 -50.693 2.313 8.767 477 2HB LYS 56 HB2 LYS 56 -49.071 1.962 9.353 478 1HG LYS 56 HG1 LYS 56 -49.028 -0.164 8.242 479 2HG LYS 56 HG2 LYS 56 -50.463 0.223 7.298 480 1HD LYS 56 HD1 LYS 56 -51.004 -1.290 9.191 481 2HD LYS 56 HD2 LYS 56 -51.827 0.258 9.347 482 1HE LYS 56 HE1 LYS 56 -50.615 -0.694 11.444 483 2HE LYS 56 HE2 LYS 56 -50.368 1.001 11.049 484 1HZ LYS 56 HZ1 LYS 56 -48.348 -0.466 11.571 485 2HZ LYS 56 HZ2 LYS 56 -48.260 0.599 10.251 486 3HZ LYS 56 HZ3 LYS 56 -48.544 -1.055 9.990 487 H LYS 57 HN LYS 57 -47.888 4.224 5.939 488 HA LYS 57 HA LYS 57 -47.855 6.411 7.690 489 1HB LYS 57 HB1 LYS 57 -47.612 7.773 5.518 490 2HB LYS 57 HB2 LYS 57 -47.888 6.271 4.644 491 1HG LYS 57 HG1 LYS 57 -45.978 5.347 6.213 492 2HG LYS 57 HG2 LYS 57 -45.563 7.049 6.385 493 1HD LYS 57 HD1 LYS 57 -45.630 7.172 3.822 494 2HD LYS 57 HD2 LYS 57 -45.672 5.412 3.839 495 1HE LYS 57 HE1 LYS 57 -43.366 5.890 3.690 496 2HE LYS 57 HE2 LYS 57 -43.603 5.599 5.409 497 1HZ LYS 57 HZ1 LYS 57 -44.106 8.217 5.234 498 2HZ LYS 57 HZ2 LYS 57 -42.927 8.040 4.025 499 3HZ LYS 57 LYS 57 -42.589 7.559 5.617 Start of MODEL 51 Raw file had 499 H/Q atoms Start of MODEL 51 1 1H LYS 1 HT1 LYS 1 -12.151 -7.222 -11.358 2 2H LYS 1 HT2 LYS 1 -13.407 -8.073 -12.123 3 3H LYS 1 HT3 LYS 1 -11.826 -8.692 -12.143 4 HA LYS 1 HA LYS 1 -13.393 -9.782 -10.548 5 1HB LYS 1 HB1 LYS 1 -11.676 -9.896 -8.771 6 2HB LYS 1 HB2 LYS 1 -10.936 -8.409 -9.345 7 1HG LYS 1 HG1 LYS 1 -11.271 -10.593 -11.351 8 2HG LYS 1 HG2 LYS 1 -10.064 -10.859 -10.099 9 1HD LYS 1 HD1 LYS 1 -10.116 -8.206 -11.511 10 2HD LYS 1 HD2 LYS 1 -9.414 -9.592 -12.336 11 1HE LYS 1 HE1 LYS 1 -7.836 -9.955 -10.538 12 2HE LYS 1 HE2 LYS 1 -8.630 -8.756 -9.527 13 1HZ LYS 1 HZ1 LYS 1 -7.458 -8.073 -12.152 14 2HZ LYS 1 HZ2 LYS 1 -6.550 -8.038 -10.717 15 3HZ LYS 1 HZ3 LYS 1 -7.901 -7.025 -10.892 16 OH TYR 2 OH TYR 2 -10.460 -2.595 -11.039 17 H TYR 2 HN TYR 2 -14.541 -7.160 -10.876 18 HA TYR 2 HA TYR 2 -14.701 -6.115 -8.105 19 1HB TYR 2 HB1 TYR 2 -16.042 -4.301 -9.169 20 2HB TYR 2 HB2 TYR 2 -16.012 -5.174 -10.698 21 HD1 TYR 2 HD2 TYR 2 -13.828 -3.542 -8.165 22 HD2 TYR 2 HD1 TYR 2 -14.128 -5.006 -12.146 23 HE1 TYR 2 HE2 TYR 2 -11.670 -2.511 -8.707 24 HE2 TYR 2 HE1 TYR 2 -11.971 -3.978 -12.688 25 HH TYR 2 HH TYR 2 -10.060 -2.295 -10.220 26 H ILE 3 HN ILE 3 -15.716 -8.646 -8.307 27 HA ILE 3 HA ILE 3 -18.680 -8.299 -8.394 28 HB ILE 3 HB ILE 3 -17.065 -10.879 -8.133 29 1HG1 ILE 3 HG11 ILE 3 -16.393 -9.688 -10.195 30 2HG1 ILE 3 HG12 ILE 3 -18.081 -9.536 -10.664 31 1HG2 ILE 3 HG21 ILE 3 -19.137 -11.929 -8.844 32 2HG2 ILE 3 HG22 ILE 3 -19.835 -10.385 -9.320 33 3HG2 ILE 3 HG23 ILE 3 -19.596 -10.757 -7.618 34 1HD1 ILE 3 HD1 ILE 3 -18.311 -11.850 -11.038 35 2HD1 ILE 3 HD2 ILE 3 -16.928 -12.249 -10.027 36 3HD1 ILE 3 HD3 ILE 3 -16.681 -11.537 -11.619 37 H CYS 4 HN CYS 4 -19.162 -7.457 -6.326 38 HA CYS 4 HA CYS 4 -17.881 -8.094 -3.928 39 1HB CYS 4 HB1 CYS 4 -20.788 -7.483 -4.493 40 2HB CYS 4 HB2 CYS 4 -19.581 -6.407 -3.855 41 H GLU 5 HN GLU 5 -17.446 -9.981 -3.114 42 HA GLU 5 HA GLU 5 -18.639 -12.424 -3.849 43 1HB GLU 5 HB1 GLU 5 -17.470 -13.334 -1.839 44 2HB GLU 5 HB2 GLU 5 -17.225 -11.696 -1.243 45 1HG GLU 5 HG1 GLU 5 -15.647 -11.192 -2.887 46 2HG GLU 5 HG2 GLU 5 -16.295 -12.378 -4.018 47 H GLU 6 HN GLU 6 -19.722 -10.059 -1.558 48 HA GLU 6 HA GLU 6 -21.422 -11.934 -0.135 49 1HB GLU 6 HB1 GLU 6 -21.764 -8.932 -0.074 50 2HB GLU 6 HB2 GLU 6 -20.357 -9.658 0.690 51 1HG GLU 6 HG1 GLU 6 -23.165 -10.631 1.266 52 2HG GLU 6 HG2 GLU 6 -22.423 -9.328 2.190 53 H CYS 7 HN CYS 7 -22.234 -8.976 -1.942 54 HA CYS 7 HA CYS 7 -24.927 -10.003 -2.434 55 1HB CYS 7 HB1 CYS 7 -25.355 -7.875 -3.419 56 2HB CYS 7 HB2 CYS 7 -23.676 -7.612 -3.792 57 H GLY 8 HN GLY 8 -22.219 -8.973 -4.489 58 1HA GLY 8 HA1 GLY 8 -23.217 -10.850 -6.598 59 2HA GLY 8 HA2 GLY 8 -21.512 -10.523 -6.316 60 H ILE 9 HN ILE 9 -22.531 -7.623 -5.772 61 HA ILE 9 HA ILE 9 -23.558 -6.568 -8.172 62 HB ILE 9 HB ILE 9 -23.156 -5.436 -5.834 63 1HG1 ILE 9 HG11 ILE 9 -22.963 -4.211 -8.558 64 2HG1 ILE 9 HG12 ILE 9 -22.690 -3.174 -7.162 65 1HG2 ILE 9 HG21 ILE 9 -21.074 -4.232 -5.581 66 2HG2 ILE 9 HG22 ILE 9 -20.604 -4.514 -7.248 67 3HG2 ILE 9 HG23 ILE 9 -20.586 -5.836 -6.088 68 1HD1 ILE 9 HD1 ILE 9 -24.857 -3.491 -6.336 69 2HD1 ILE 9 HD2 ILE 9 -25.058 -5.028 -7.173 70 3HD1 ILE 9 HD3 ILE 9 -25.143 -3.518 -8.074 71 NH1 ARG 10 NH1 ARG 10 -19.254 -11.577 -13.757 72 NH2 ARG 10 NH2 ARG 10 -20.880 -11.706 -12.157 73 H ARG 10 HN ARG 10 -22.727 -6.323 -10.131 74 HA ARG 10 HA ARG 10 -19.810 -6.797 -10.477 75 1HB ARG 10 HB1 ARG 10 -22.051 -6.736 -12.554 76 2HB ARG 10 HB2 ARG 10 -21.501 -8.198 -11.749 77 1HG ARG 10 HG1 ARG 10 -19.120 -7.163 -12.644 78 2HG ARG 10 HG2 ARG 10 -20.217 -6.640 -13.914 79 1HD ARG 10 HD1 ARG 10 -19.293 -8.873 -14.424 80 2HD ARG 10 HD2 ARG 10 -21.032 -8.968 -14.161 81 HE ARG 10 HE ARG 10 -19.617 -9.441 -11.698 82 1HH1 ARG 10 HH11 ARG 10 -18.589 -11.024 -14.261 83 2HH1 ARG 10 HH12 ARG 10 -19.345 -12.553 -13.957 84 1HH2 ARG 10 HH21 ARG 10 -21.434 -11.250 -11.461 85 2HH2 ARG 10 HH22 ARG 10 -20.999 -12.684 -12.330 86 H ABA 11 HN ABU 11 -18.860 -4.839 -10.180 87 HA ABA 11 HA ABU 11 -19.812 -2.595 -11.933 88 1HB ABA 11 HB1 ABU 11 -18.762 -1.098 -10.268 89 2HB ABA 11 HB2 ABU 11 -18.208 -2.476 -9.342 90 1HG ABA 11 HG1 ABU 11 -20.671 -3.178 -9.180 91 2HG ABA 11 HG2 ABU 11 -21.062 -1.575 -9.796 92 3HG ABA 11 HG3 ABU 11 -20.217 -1.748 -8.261 93 H LYS 12 HN LYS 12 -18.580 -2.796 -13.697 94 HA LYS 12 HA LYS 12 -15.908 -3.714 -13.765 95 1HB LYS 12 HB1 LYS 12 -15.890 -2.682 -16.051 96 2HB LYS 12 HB2 LYS 12 -17.386 -1.844 -15.664 97 1HG LYS 12 HG1 LYS 12 -17.797 -4.580 -14.991 98 2HG LYS 12 HG2 LYS 12 -17.011 -4.578 -16.562 99 1HD LYS 12 HD1 LYS 12 -19.423 -2.836 -15.948 100 2HD LYS 12 HD2 LYS 12 -19.563 -4.458 -16.608 101 1HE LYS 12 HE1 LYS 12 -18.186 -3.827 -18.544 102 2HE LYS 12 HE2 LYS 12 -17.964 -2.212 -17.884 103 1HZ LYS 12 HZ1 LYS 12 -19.679 -2.056 -19.450 104 2HZ LYS 12 HZ2 LYS 12 -20.450 -2.021 -17.936 105 3HZ LYS 12 HZ3 LYS 12 -20.466 -3.444 -18.865 106 H LYS 13 HN LYS 13 -16.750 -1.150 -12.042 107 HA LYS 13 HA LYS 13 -14.237 0.286 -12.715 108 1HB LYS 13 HB1 LYS 13 -15.420 2.428 -12.149 109 2HB LYS 13 HB2 LYS 13 -16.905 1.512 -11.915 110 1HG LYS 13 HG1 LYS 13 -16.935 0.829 -14.233 111 2HG LYS 13 HG2 LYS 13 -15.325 1.486 -14.503 112 1HD LYS 13 HD1 LYS 13 -16.105 3.744 -14.215 113 2HD LYS 13 HD2 LYS 13 -17.664 3.194 -13.610 114 1HE LYS 13 HE1 LYS 13 -16.854 2.204 -16.302 115 2HE LYS 13 HE2 LYS 13 -17.279 3.907 -16.186 116 1HZ LYS 13 HZ1 LYS 13 -19.201 2.561 -14.751 117 2HZ LYS 13 HZ2 LYS 13 -18.970 1.638 -16.157 118 3HZ LYS 13 HZ3 LYS 13 -19.378 3.281 -16.279 119 HA PRO 14 HA PRO 14 -13.319 -0.311 -8.390 120 1HB PRO 14 HB1 PRO 14 -11.135 0.421 -8.420 121 2HB PRO 14 HB2 PRO 14 -11.717 2.059 -8.117 122 1HG PRO 14 HG1 PRO 14 -10.486 1.124 -10.505 123 2HG PRO 14 HG2 PRO 14 -11.294 2.678 -10.287 124 1HD PRO 14 HD1 PRO 14 -12.903 1.957 -11.752 125 2HD PRO 14 HD2 PRO 14 -12.208 0.325 -11.758 126 H SER 15 HN SER 15 -13.456 3.207 -9.038 127 HA SER 15 HA SER 15 -14.374 4.147 -6.630 128 1HB SER 15 HB1 SER 15 -14.096 5.713 -8.488 129 2HB SER 15 HB2 SER 15 -15.818 5.796 -8.067 130 HG SER 15 HG1 SER 15 -14.553 4.567 -10.230 131 H MET 16 HN MET 16 -16.310 2.413 -9.015 132 HA MET 16 HA MET 16 -18.791 2.805 -7.566 133 1HB MET 16 HB1 MET 16 -19.459 0.779 -9.096 134 2HB MET 16 HB2 MET 16 -17.867 0.996 -9.818 135 1HG MET 16 HG1 MET 16 -19.280 2.321 -11.144 136 2HG MET 16 HG2 MET 16 -18.479 3.450 -10.083 137 1HE MET 16 HE1 MET 16 -20.258 5.580 -10.291 138 2HE MET 16 HE2 MET 16 -21.799 5.064 -10.978 139 3HE MET 16 HE3 MET 16 -20.285 4.491 -11.678 140 H LEU 17 HN LEU 17 -16.786 -0.127 -8.093 141 HA LEU 17 HA LEU 17 -18.151 -1.689 -6.148 142 1HB LEU 17 HB1 LEU 17 -15.172 -1.924 -6.714 143 2HB LEU 17 HB2 LEU 17 -16.337 -2.357 -7.944 144 HG LEU 17 HG LEU 17 -15.563 -4.327 -6.583 145 1HD1 LEU 17 HD11 LEU 17 -16.088 -4.559 -4.283 146 2HD1 LEU 17 HD12 LEU 17 -17.153 -3.165 -4.290 147 3HD1 LEU 17 HD13 LEU 17 -15.416 -2.942 -4.431 148 1HD2 LEU 17 HD21 LEU 17 -18.483 -3.966 -5.937 149 2HD2 LEU 17 HD22 LEU 17 -17.642 -5.377 -6.560 150 3HD2 LEU 17 HD23 LEU 17 -17.970 -4.013 -7.615 151 H LYS 18 HN LYS 18 -15.082 0.034 -5.947 152 HA LYS 18 HA LYS 18 -14.297 -0.245 -3.375 153 1HB LYS 18 HB1 LYS 18 -14.586 2.519 -4.635 154 2HB LYS 18 HB2 LYS 18 -13.380 1.360 -5.176 155 1HG LYS 18 HG1 LYS 18 -13.535 1.864 -2.245 156 2HG LYS 18 HG2 LYS 18 -12.880 3.162 -3.231 157 1HD LYS 18 HD1 LYS 18 -11.936 0.284 -3.458 158 2HD LYS 18 HD2 LYS 18 -11.177 1.444 -2.376 159 1HE LYS 18 HE1 LYS 18 -11.456 2.665 -4.971 160 2HE LYS 18 HE2 LYS 18 -10.703 1.090 -5.168 161 1HZ LYS 18 HZ1 LYS 18 -9.559 2.326 -2.942 162 2HZ LYS 18 HZ2 LYS 18 -9.557 3.451 -4.214 163 3HZ LYS 18 HZ3 LYS 18 -8.826 1.933 -4.423 164 H LYS 19 HN LYS 19 -16.729 2.182 -4.348 165 HA LYS 19 HA LYS 19 -17.351 2.904 -1.659 166 1HB LYS 19 HB1 LYS 19 -19.650 3.456 -3.142 167 2HB LYS 19 HB2 LYS 19 -18.403 3.433 -4.381 168 1HG LYS 19 HG1 LYS 19 -18.198 5.046 -1.812 169 2HG LYS 19 HG2 LYS 19 -18.761 5.704 -3.342 170 1HD LYS 19 HD1 LYS 19 -16.629 5.172 -4.410 171 2HD LYS 19 HD2 LYS 19 -16.059 4.378 -2.948 172 1HE LYS 19 HE1 LYS 19 -15.928 6.417 -1.751 173 2HE LYS 19 HE2 LYS 19 -16.972 7.256 -2.893 174 1HZ LYS 19 HZ1 LYS 19 -14.160 6.428 -3.254 175 2HZ LYS 19 HZ2 LYS 19 -14.825 7.986 -3.362 176 3HZ LYS 19 HZ3 LYS 19 -15.150 6.838 -4.570 177 H HIS 20 HN HIS 20 -18.758 0.578 -3.911 178 HA HIS 20 HA HIS 20 -21.050 -0.108 -2.390 179 1HB HIS 20 HB1 HIS 20 -19.319 -1.833 -4.207 180 2HB HIS 20 HB2 HIS 20 -20.743 -0.935 -4.705 181 HD1 HIS 20 HD1 HIS 20 -22.815 -2.325 -4.527 182 HD2 HIS 20 HD2 HIS 20 -19.854 -3.882 -2.205 183 HE1 HIS 20 HE1 HIS 20 -23.739 -4.394 -3.593 184 H ILE 21 HN ILE 21 -17.766 -1.524 -2.330 185 HA ILE 21 HA ILE 21 -18.457 -3.473 -0.365 186 HB ILE 21 HB ILE 21 -16.246 -3.166 -1.858 187 1HG1 ILE 21 HG11 ILE 21 -16.661 -4.475 0.814 188 2HG1 ILE 21 HG12 ILE 21 -15.060 -4.534 0.087 189 1HG2 ILE 21 HG21 ILE 21 -15.262 -2.226 0.874 190 2HG2 ILE 21 HG22 ILE 21 -15.680 -1.068 -0.374 191 3HG2 ILE 21 HG23 ILE 21 -14.390 -2.216 -0.654 192 1HD1 ILE 21 HD1 ILE 21 -17.638 -5.459 -1.231 193 2HD1 ILE 21 HD2 ILE 21 -16.383 -6.505 -0.578 194 3HD1 ILE 21 HD3 ILE 21 -16.046 -5.495 -1.979 195 NH1 ARG 22 NH1 ARG 22 -17.630 5.053 3.162 196 NH2 ARG 22 NH2 ARG 22 -16.225 6.306 1.866 197 H ARG 22 HN ARG 22 -17.564 -0.098 -0.089 198 HA ARG 22 HA ARG 22 -16.999 -0.186 2.749 199 1HB ARG 22 HB1 ARG 22 -17.613 2.334 2.565 200 2HB ARG 22 HB2 ARG 22 -17.899 2.038 0.857 201 1HG ARG 22 HG1 ARG 22 -15.618 1.441 0.470 202 2HG ARG 22 HG2 ARG 22 -15.289 1.271 2.189 203 1HD ARG 22 HD1 ARG 22 -14.726 3.534 0.740 204 2HD ARG 22 HD2 ARG 22 -14.988 3.522 2.482 205 HE ARG 22 HE ARG 22 -17.301 3.950 0.644 206 1HH1 ARG 22 HH11 ARG 22 -18.083 4.178 3.336 207 2HH1 ARG 22 HH12 ARG 22 -17.785 5.827 3.776 208 1HH2 ARG 22 HH21 ARG 22 -15.625 6.370 1.069 209 2HH2 ARG 22 HH22 ARG 22 -16.357 7.101 2.459 210 H THR 23 HN THR 23 -19.950 -0.009 0.886 211 HA THR 23 HA THR 23 -21.646 0.970 2.949 212 HB THR 23 HB THR 23 -22.522 -1.163 0.918 213 HG1 THR 23 HG1 THR 23 -21.185 0.300 -0.132 214 1HG2 THR 23 HG21 THR 23 -24.614 -0.307 1.494 215 2HG2 THR 23 HG22 THR 23 -24.086 1.267 0.919 216 3HG2 THR 23 HG23 THR 23 -23.874 0.831 2.611 217 H HIS 24 HN HIS 24 -20.227 -2.191 2.473 218 HA HIS 24 HA HIS 24 -22.061 -3.564 4.282 219 1HB HIS 24 HB1 HIS 24 -20.126 -5.314 4.259 220 2HB HIS 24 HB2 HIS 24 -19.321 -4.242 3.117 221 HD1 HIS 24 HD1 HIS 24 -22.777 -5.732 3.336 222 HD2 HIS 24 HD2 HIS 24 -19.905 -4.929 0.563 223 HE1 HIS 24 HE1 HIS 24 -23.686 -6.529 1.183 224 H THR 25 HN THR 25 -20.485 -1.083 5.128 225 HA THR 25 HA THR 25 -18.998 -2.222 7.432 226 HB THR 25 HB THR 25 -18.300 0.250 7.678 227 HG1 THR 25 HG1 THR 25 -18.971 1.280 5.528 228 1HG2 THR 25 HG21 THR 25 -16.722 -0.894 6.260 229 2HG2 THR 25 HG22 THR 25 -17.313 0.385 5.207 230 3HG2 THR 25 HG23 THR 25 -17.952 -1.248 5.053 231 H ASP 26 HN ASP 26 -20.198 0.902 7.776 232 HA ASP 26 HA ASP 26 -22.699 0.187 9.084 233 1HB ASP 26 HB1 ASP 26 -21.939 1.070 11.329 234 2HB ASP 26 HB2 ASP 26 -20.301 1.206 10.696 235 H VAL 27 HN VAL 27 -21.668 1.850 6.981 236 HA VAL 27 HA VAL 27 -22.178 4.580 8.047 237 HB VAL 27 HB VAL 27 -20.127 4.211 6.701 238 1HG1 VAL 27 HG11 VAL 27 -20.248 3.509 4.374 239 2HG1 VAL 27 HG12 VAL 27 -22.005 3.471 4.435 240 3HG1 VAL 27 HG13 VAL 27 -21.072 2.313 5.362 241 1HG2 VAL 27 HG21 VAL 27 -22.046 6.216 6.296 242 2HG2 VAL 27 HG22 VAL 27 -21.564 5.736 4.672 243 3HG2 VAL 27 HG23 VAL 27 -20.353 6.286 5.822 244 NH1 ARG 28 NH1 ARG 28 -25.590 -2.388 6.738 245 NH2 ARG 28 NH2 ARG 28 -23.424 -1.941 7.312 246 H ARG 28 HN ARG 28 -24.396 2.929 7.877 247 HA ARG 28 HA ARG 28 -25.893 4.077 5.554 248 1HB ARG 28 HB1 ARG 28 -27.444 2.084 5.970 249 2HB ARG 28 HB2 ARG 28 -26.237 1.476 7.096 250 1HG ARG 28 HG1 ARG 28 -24.619 1.913 5.016 251 2HG ARG 28 HG2 ARG 28 -26.115 1.705 4.116 252 1HD ARG 28 HD1 ARG 28 -24.996 -0.469 4.376 253 2HD ARG 28 HD2 ARG 28 -26.495 -0.459 5.303 254 HE ARG 28 HE ARG 28 -24.357 0.405 6.995 255 1HH1 ARG 28 HH11 ARG 28 -26.464 -2.066 6.374 256 2HH1 ARG 28 HH12 ARG 28 -25.488 -3.342 7.022 257 1HH2 ARG 28 HH21 ARG 28 -22.675 -1.283 7.377 258 2HH2 ARG 28 HH22 ARG 28 -23.287 -2.887 7.605 259 HA PRO 29 HA PRO 29 -27.679 5.877 9.434 260 1HB PRO 29 HB1 PRO 29 -27.126 8.094 9.191 261 2HB PRO 29 HB2 PRO 29 -28.361 8.259 7.942 262 1HG PRO 29 HG1 PRO 29 -25.481 8.212 7.600 263 2HG PRO 29 HG2 PRO 29 -26.714 8.420 6.354 264 1HD PRO 29 HD1 PRO 29 -26.396 6.287 5.626 265 2HD PRO 29 HD2 PRO 29 -25.070 6.120 6.787 266 OH TYR 30 OH TYR 30 -29.763 10.713 3.075 267 H TYR 30 HN TYR 30 -28.856 5.501 6.188 268 HA TYR 30 HA TYR 30 -31.617 6.204 6.860 269 1HB TYR 30 HB1 TYR 30 -32.073 5.233 4.558 270 2HB TYR 30 HB2 TYR 30 -30.379 4.770 4.460 271 HD1 TYR 30 HD1 TYR 30 -32.500 7.775 5.168 272 HD2 TYR 30 HD2 TYR 30 -28.861 6.301 3.531 273 HE1 TYR 30 HE1 TYR 30 -31.936 10.030 4.386 274 HE2 TYR 30 HE2 TYR 30 -28.299 8.555 2.750 275 HH TYR 30 HH TYR 30 -28.957 10.655 2.558 276 H HIS 31 HN HIS 31 -32.168 4.857 8.588 277 HA HIS 31 HA HIS 31 -32.177 1.918 8.054 278 1HB HIS 31 HB1 HIS 31 -32.921 1.962 10.586 279 2HB HIS 31 HB2 HIS 31 -32.388 3.640 10.549 280 HD1 HIS 31 HD1 HIS 31 -31.082 0.469 11.171 281 HD2 HIS 31 HD2 HIS 31 -29.576 3.800 9.415 282 HE1 HIS 31 HE1 HIS 31 -28.673 0.178 11.248 283 H CYS 32 HN CYS 32 -34.063 0.847 7.685 284 HA CYS 32 HA CYS 32 -36.457 2.233 7.112 285 1HB CYS 32 HB1 CYS 32 -35.807 -0.636 7.823 286 2HB CYS 32 HB2 CYS 32 -36.326 0.008 6.288 287 H THR 33 HN THR 33 -38.410 2.470 8.289 288 HA THR 33 HA THR 33 -37.944 2.828 11.171 289 HB THR 33 HB THR 33 -40.600 3.283 9.724 290 HG1 THR 33 HG1 THR 33 -38.586 4.111 8.682 291 1HG2 THR 33 HG21 THR 33 -39.387 5.307 11.538 292 2HG2 THR 33 HG22 THR 33 -39.733 3.784 12.350 293 3HG2 THR 33 HG23 THR 33 -41.029 4.670 11.554 294 OH TYR 34 OH TYR 34 -44.544 2.562 8.844 295 H TYR 34 HN TYR 34 -38.299 0.136 9.748 296 HA TYR 34 HA TYR 34 -40.125 -0.979 11.812 297 1HB TYR 34 HB1 TYR 34 -41.228 -2.427 10.127 298 2HB TYR 34 HB2 TYR 34 -40.216 -1.767 8.854 299 HD1 TYR 34 HD2 TYR 34 -40.382 0.827 8.475 300 HD2 TYR 34 HD1 TYR 34 -43.302 -1.421 10.597 301 HE1 TYR 34 HE2 TYR 34 -42.046 2.572 8.038 302 HE2 TYR 34 HE1 TYR 34 -44.960 0.333 10.165 303 HH TYR 34 HH TYR 34 -44.729 3.000 9.678 304 H CYS 35 HN CYS 35 -38.333 -2.161 8.983 305 HA CYS 35 HA CYS 35 -37.413 -4.538 10.300 306 1HB CYS 35 HB1 CYS 35 -36.009 -4.815 8.330 307 2HB CYS 35 HB2 CYS 35 -36.096 -3.118 7.959 308 H ASN 36 HN ASN 36 -34.709 -4.561 9.527 309 HA ASN 36 HA ASN 36 -33.481 -2.580 11.398 310 1HB ASN 36 HB1 ASN 36 -32.536 -5.459 11.038 311 2HB ASN 36 HB2 ASN 36 -33.720 -5.025 12.268 312 1HD2 ASN 36 HD21 ASN 36 -32.861 -4.382 14.238 313 2HD2 ASN 36 HD22 ASN 36 -31.272 -3.834 14.479 314 H PHE 37 HN PHE 37 -33.738 -3.444 8.317 315 HA PHE 37 HA PHE 37 -30.929 -3.549 7.537 316 1HB PHE 37 HB1 PHE 37 -33.154 -2.794 5.640 317 2HB PHE 37 HB2 PHE 37 -33.141 -4.424 6.309 318 HD1 PHE 37 HD2 PHE 37 -31.027 -5.828 6.028 319 HD2 PHE 37 HD1 PHE 37 -31.642 -2.186 3.909 320 HE1 PHE 37 HE2 PHE 37 -29.296 -6.475 4.410 321 HE2 PHE 37 HE1 PHE 37 -29.905 -2.835 2.297 322 HZ PHE 37 HZ PHE 37 -28.732 -4.979 2.546 323 H SER 38 HN SER 38 -29.939 -1.927 6.133 324 HA SER 38 HA SER 38 -31.120 0.768 6.324 325 1HB SER 38 HB1 SER 38 -28.246 0.292 7.215 326 2HB SER 38 HB2 SER 38 -29.590 0.264 8.367 327 HG SER 38 HG1 SER 38 -30.074 2.325 7.895 328 H PHE 39 HN PHE 39 -30.127 2.313 4.931 329 HA PHE 39 HA PHE 39 -28.447 1.083 2.779 330 1HB PHE 39 HB1 PHE 39 -29.810 2.177 1.141 331 2HB PHE 39 HB2 PHE 39 -30.517 3.259 2.341 332 HD1 PHE 39 HD2 PHE 39 -32.098 2.317 4.070 333 HD2 PHE 39 HD1 PHE 39 -30.740 -0.013 0.771 334 HE1 PHE 39 HE2 PHE 39 -33.915 0.710 4.450 335 HE2 PHE 39 HE1 PHE 39 -32.573 -1.604 1.147 336 HZ PHE 39 HZ PHE 39 -34.163 -1.241 2.984 337 H LYS 40 HN LYS 40 -27.139 2.575 1.586 338 HA LYS 40 HA LYS 40 -26.014 4.659 3.311 339 1HB LYS 40 HB1 LYS 40 -25.293 3.486 0.588 340 2HB LYS 40 HB2 LYS 40 -24.465 3.222 2.107 341 1HG LYS 40 HG1 LYS 40 -24.555 5.859 0.584 342 2HG LYS 40 HG2 LYS 40 -23.181 4.776 0.690 343 1HD LYS 40 HD1 LYS 40 -23.278 5.046 3.208 344 2HD LYS 40 HD2 LYS 40 -24.446 6.335 2.956 345 1HE LYS 40 HE1 LYS 40 -21.597 6.229 1.928 346 2HE LYS 40 HE2 LYS 40 -22.253 7.350 3.115 347 1HZ LYS 40 HZ1 LYS 40 -23.872 7.945 1.212 348 2HZ LYS 40 HZ2 LYS 40 -22.681 7.264 0.212 349 3HZ LYS 40 HZ3 LYS 40 -22.298 8.585 1.208 350 H THR 41 HN THR 41 -28.321 4.463 0.830 351 HA THR 41 HA THR 41 -28.197 7.435 0.493 352 HB THR 41 HB THR 41 -28.580 7.201 -1.880 353 HG1 THR 41 HG1 THR 41 -29.810 5.598 -2.516 354 1HG2 THR 41 HG21 THR 41 -26.306 6.112 -1.070 355 2HG2 THR 41 HG22 THR 41 -26.884 5.619 -2.658 356 3HG2 THR 41 HG23 THR 41 -27.130 4.568 -1.268 357 H LYS 42 HN LYS 42 -30.189 8.444 -0.034 358 HA LYS 42 HA LYS 42 -32.390 7.342 1.462 359 1HB LYS 42 HB1 LYS 42 -32.361 9.753 -0.410 360 2HB LYS 42 HB2 LYS 42 -31.816 9.820 1.262 361 1HG LYS 42 HG1 LYS 42 -33.950 10.040 1.978 362 2HG LYS 42 HG2 LYS 42 -34.388 8.537 1.186 363 1HD LYS 42 HD1 LYS 42 -35.744 10.398 0.301 364 2HD LYS 42 HD2 LYS 42 -34.702 9.743 -0.953 365 1HE LYS 42 HE1 LYS 42 -34.876 12.418 -0.297 366 2HE LYS 42 HE2 LYS 42 -33.523 11.682 -1.143 367 1HZ LYS 42 HZ1 LYS 42 -33.654 11.804 1.807 368 2HZ LYS 42 HZ2 LYS 42 -32.984 13.053 0.874 369 3HZ LYS 42 HZ3 LYS 42 -32.303 11.500 0.824 370 H GLY 43 HN GLY 43 -31.372 7.258 -1.815 371 1HA GLY 43 HA1 GLY 43 -32.369 6.301 -3.719 372 2HA GLY 43 HA2 GLY 43 -33.894 6.954 -3.125 373 H ASN 44 HN ASN 44 -31.605 4.306 -2.522 374 HA ASN 44 HA ASN 44 -33.342 2.178 -2.850 375 1HB ASN 44 HB1 ASN 44 -31.842 1.083 -0.971 376 2HB ASN 44 HB2 ASN 44 -30.980 2.618 -0.988 377 1HD2 ASN 44 HD21 ASN 44 -29.488 0.468 -1.771 378 2HD2 ASN 44 HD22 ASN 44 -29.268 0.450 -3.453 379 H LEU 45 HN LEU 45 -32.871 4.130 0.058 380 HA LEU 45 HA LEU 45 -34.488 2.619 1.810 381 1HB LEU 45 HB1 LEU 45 -34.023 5.645 1.625 382 2HB LEU 45 HB2 LEU 45 -33.090 4.510 2.577 383 HG LEU 45 HG LEU 45 -34.544 5.537 4.153 384 1HD1 LEU 45 HD11 LEU 45 -37.150 4.947 2.873 385 2HD1 LEU 45 HD12 LEU 45 -36.195 6.152 2.029 386 3HD1 LEU 45 HD13 LEU 45 -36.613 6.390 3.717 387 1HD2 LEU 45 HD21 LEU 45 -35.824 3.717 5.016 388 2HD2 LEU 45 HD22 LEU 45 -34.480 2.982 4.150 389 3HD2 LEU 45 HD23 LEU 45 -36.078 3.026 3.421 390 H THR 46 HN THR 46 -35.385 5.369 -0.261 391 HA THR 46 HA THR 46 -38.156 5.350 0.373 392 HB THR 46 HB THR 46 -36.715 6.159 -2.227 393 HG1 THR 46 HG1 THR 46 -37.252 8.230 -1.047 394 1HG2 THR 46 HG21 THR 46 -39.519 6.699 -1.101 395 2HG2 THR 46 HG22 THR 46 -39.131 6.072 -2.700 396 3HG2 THR 46 HG23 THR 46 -38.780 7.752 -2.303 397 H LYS 47 HN LYS 47 -36.270 3.485 -1.928 398 HA LYS 47 HA LYS 47 -38.512 2.383 -3.352 399 1HB LYS 47 HB1 LYS 47 -35.717 1.235 -2.875 400 2HB LYS 47 HB2 LYS 47 -36.160 2.308 -4.196 401 1HG LYS 47 HG1 LYS 47 -38.030 0.452 -4.609 402 2HG LYS 47 HG2 LYS 47 -36.872 -0.572 -3.769 403 1HD LYS 47 HD1 LYS 47 -36.088 -0.805 -5.940 404 2HD LYS 47 HD2 LYS 47 -35.155 0.602 -5.442 405 1HE LYS 47 HE1 LYS 47 -37.032 2.048 -6.358 406 2HE LYS 47 HE2 LYS 47 -37.737 0.585 -7.034 407 1HZ LYS 47 HZ1 LYS 47 -35.258 0.363 -7.926 408 2HZ LYS 47 HZ2 LYS 47 -35.373 2.056 -7.854 409 3HZ LYS 47 HZ3 LYS 47 -36.483 1.168 -8.783 410 H HIS 48 HN HIS 48 -36.733 1.368 -0.476 411 HA HIS 48 HA HIS 48 -38.013 -1.197 -0.242 412 1HB HIS 48 HB1 HIS 48 -36.676 0.645 1.800 413 2HB HIS 48 HB2 HIS 48 -35.968 -0.767 1.020 414 HD1 HIS 48 HD1 HIS 48 -37.580 -2.986 1.585 415 HD2 HIS 48 HD2 HIS 48 -37.611 0.052 4.322 416 HE1 HIS 48 HE1 HIS 48 -38.402 -3.990 3.658 417 H MET 49 HN MET 49 -38.886 2.036 0.765 418 HA MET 49 HA MET 49 -41.057 1.146 2.494 419 1HB MET 49 HB1 MET 49 -41.698 3.631 2.330 420 2HB MET 49 HB2 MET 49 -40.321 3.837 1.253 421 1HG MET 49 HG1 MET 49 -39.534 4.391 3.419 422 2HG MET 49 HG2 MET 49 -38.879 2.819 3.045 423 1HE MET 49 HE1 MET 49 -38.482 3.995 5.497 424 2HE MET 49 HE2 MET 49 -39.345 3.371 6.904 425 3HE MET 49 HE3 MET 49 -39.977 4.765 6.027 426 H LYS 50 HN LYS 50 -40.716 2.090 -0.864 427 HA LYS 50 HA LYS 50 -43.492 2.449 -1.442 428 1HB LYS 50 HB1 LYS 50 -41.515 1.259 -3.416 429 2HB LYS 50 HB2 LYS 50 -41.345 2.932 -2.897 430 1HG LYS 50 HG1 LYS 50 -43.347 3.587 -3.895 431 2HG LYS 50 HG2 LYS 50 -44.041 1.973 -3.804 432 1HD LYS 50 HD1 LYS 50 -43.414 2.602 -6.138 433 2HD LYS 50 HD2 LYS 50 -42.532 1.189 -5.568 434 1HE LYS 50 HE1 LYS 50 -41.177 3.071 -6.744 435 2HE LYS 50 HE2 LYS 50 -40.539 2.414 -5.243 436 1HZ LYS 50 HZ1 LYS 50 -40.732 4.965 -5.592 437 2HZ LYS 50 HZ2 LYS 50 -41.083 4.279 -4.078 438 3HZ LYS 50 HZ3 LYS 50 -42.346 4.719 -5.124 439 H SER 51 HN SER 51 -41.732 -0.339 -0.653 440 HA SER 51 HA SER 51 -43.307 -2.240 -2.182 441 1HB SER 51 HB1 SER 51 -41.488 -2.502 0.270 442 2HB SER 51 HB2 SER 51 -41.121 -2.981 -1.399 443 HG SER 51 HG1 SER 51 -41.854 -4.761 -0.154 444 H LYS 52 HN LYS 52 -45.010 -3.514 -1.487 445 HA LYS 52 HA LYS 52 -46.874 -2.301 0.299 446 1HB LYS 52 HB1 LYS 52 -47.699 -3.833 -1.391 447 2HB LYS 52 HB2 LYS 52 -48.001 -4.625 0.152 448 1HG LYS 52 HG1 LYS 52 -45.718 -5.763 -0.158 449 2HG LYS 52 HG2 LYS 52 -45.772 -5.185 -1.820 450 1HD LYS 52 HD1 LYS 52 -48.071 -6.288 -1.995 451 2HD LYS 52 HD2 LYS 52 -47.722 -7.058 -0.450 452 1HE LYS 52 HE1 LYS 52 -46.180 -7.351 -3.044 453 2HE LYS 52 HE2 LYS 52 -47.047 -8.607 -2.171 454 1HZ LYS 52 HZ1 LYS 52 -44.843 -8.939 -1.606 455 2HZ LYS 52 HZ2 LYS 52 -45.452 -8.072 -0.278 456 3HZ LYS 52 HZ3 LYS 52 -44.515 -7.280 -1.453 457 H ALA 53 HN ALA 53 -44.037 -3.727 1.077 458 HA ALA 53 HA ALA 53 -44.503 -5.509 3.169 459 1HB ALA 53 HB1 ALA 53 -42.464 -3.233 3.036 460 2HB ALA 53 HB2 ALA 53 -42.228 -4.866 2.421 461 3HB ALA 53 HB3 ALA 53 -42.368 -4.588 4.155 462 H HIS 54 HN HIS 54 -43.575 -2.216 4.058 463 HA HIS 54 HA HIS 54 -46.016 -1.879 5.646 464 1HB HIS 54 HB1 HIS 54 -44.882 -3.079 7.317 465 2HB HIS 54 HB2 HIS 54 -44.356 -1.443 7.692 466 HD1 HIS 54 HD1 HIS 54 -43.065 -4.639 6.565 467 HD2 HIS 54 HD2 HIS 54 -41.651 -0.807 6.748 468 HE1 HIS 54 HE1 HIS 54 -40.633 -4.823 6.326 469 H SER 55 HN SER 55 -46.308 0.018 4.471 470 HA SER 55 HA SER 55 -44.742 2.286 5.505 471 1HB SER 55 HB1 SER 55 -44.311 3.127 3.126 472 2HB SER 55 HB2 SER 55 -44.863 1.548 2.531 473 HG SER 55 HG1 SER 55 -42.650 2.182 4.152 474 H LYS 56 HN LYS 56 -47.357 1.700 6.036 475 HA LYS 56 HA LYS 56 -49.153 3.050 4.193 476 1HB LYS 56 HB1 LYS 56 -50.782 2.825 6.110 477 2HB LYS 56 HB2 LYS 56 -49.466 2.256 7.131 478 1HG LYS 56 HG1 LYS 56 -49.128 0.307 5.754 479 2HG LYS 56 HG2 LYS 56 -50.208 0.918 4.510 480 1HD LYS 56 HD1 LYS 56 -51.068 0.266 7.355 481 2HD LYS 56 HD2 LYS 56 -51.266 -0.829 5.994 482 1HE LYS 56 HE1 LYS 56 -53.320 0.191 5.849 483 2HE LYS 56 HE2 LYS 56 -52.417 1.400 4.948 484 1HZ LYS 56 HZ1 LYS 56 -52.279 1.810 7.772 485 2HZ LYS 56 HZ2 LYS 56 -53.876 1.837 7.194 486 3HZ LYS 56 HZ3 LYS 56 -52.718 2.891 6.538 487 H LYS 57 HN LYS 57 -46.892 4.641 4.958 488 HA LYS 57 HA LYS 57 -47.395 6.533 6.966 489 1HB LYS 57 HB1 LYS 57 -45.273 6.409 5.661 490 2HB LYS 57 HB2 LYS 57 -45.929 8.040 5.607 491 1HG LYS 57 HG1 LYS 57 -46.792 7.724 3.395 492 2HG LYS 57 HG2 LYS 57 -46.540 5.983 3.469 493 1HD LYS 57 HD1 LYS 57 -44.074 6.391 3.644 494 2HD LYS 57 HD2 LYS 57 -44.376 8.113 3.436 495 1HE LYS 57 HE1 LYS 57 -44.987 5.896 1.457 496 2HE LYS 57 HE2 LYS 57 -43.823 7.201 1.262 497 1HZ LYS 57 HZ1 LYS 57 -45.505 8.160 0.172 498 2HZ LYS 57 HZ2 LYS 57 -46.054 8.576 1.724 499 3HZ LYS 57 LYS 57 -46.697 7.219 0.931 Start of MODEL 52 Raw file had 499 H/Q atoms Start of MODEL 52 1 1H LYS 1 HT1 LYS 1 -7.750 -3.991 -10.066 2 2H LYS 1 HT2 LYS 1 -8.905 -4.822 -10.992 3 3H LYS 1 HT3 LYS 1 -7.325 -5.430 -10.860 4 HA LYS 1 HA LYS 1 -9.028 -6.597 -9.484 5 1HB LYS 1 HB1 LYS 1 -7.535 -6.393 -7.353 6 2HB LYS 1 HB2 LYS 1 -6.575 -5.246 -8.279 7 1HG LYS 1 HG1 LYS 1 -6.500 -7.081 -10.107 8 2HG LYS 1 HG2 LYS 1 -7.052 -8.176 -8.845 9 1HD LYS 1 HD1 LYS 1 -4.817 -8.395 -8.403 10 2HD LYS 1 HD2 LYS 1 -5.035 -6.877 -7.539 11 1HE LYS 1 HE1 LYS 1 -4.572 -5.725 -9.802 12 2HE LYS 1 HE2 LYS 1 -3.986 -7.293 -10.343 13 1HZ LYS 1 HZ1 LYS 1 -2.073 -6.439 -9.543 14 2HZ LYS 1 HZ2 LYS 1 -2.653 -7.113 -8.096 15 3HZ LYS 1 HZ3 LYS 1 -2.842 -5.451 -8.396 16 OH TYR 2 OH TYR 2 -6.575 -0.331 -8.595 17 H TYR 2 HN TYR 2 -10.994 -5.436 -9.323 18 HA TYR 2 HA TYR 2 -11.248 -4.049 -6.731 19 1HB TYR 2 HB1 TYR 2 -12.389 -2.091 -7.760 20 2HB TYR 2 HB2 TYR 2 -12.146 -2.780 -9.365 21 HD1 TYR 2 HD2 TYR 2 -10.309 -1.576 -6.357 22 HD2 TYR 2 HD1 TYR 2 -10.100 -2.422 -10.518 23 HE1 TYR 2 HE2 TYR 2 -8.084 -0.554 -6.451 24 HE2 TYR 2 HE1 TYR 2 -7.875 -1.399 -10.616 25 HH TYR 2 HH TYR 2 -6.004 -0.912 -9.103 26 H ILE 3 HN ILE 3 -12.193 -6.512 -7.268 27 HA ILE 3 HA ILE 3 -15.093 -6.148 -7.873 28 HB ILE 3 HB ILE 3 -13.523 -8.751 -7.556 29 1HG1 ILE 3 HG11 ILE 3 -13.450 -8.770 -10.082 30 2HG1 ILE 3 HG12 ILE 3 -12.444 -7.542 -9.335 31 1HG2 ILE 3 HG21 ILE 3 -15.741 -9.471 -7.619 32 2HG2 ILE 3 HG22 ILE 3 -15.572 -9.234 -9.352 33 3HG2 ILE 3 HG23 ILE 3 -16.320 -7.990 -8.365 34 1HD1 ILE 3 HD1 ILE 3 -14.022 -6.894 -11.347 35 2HD1 ILE 3 HD2 ILE 3 -13.839 -5.794 -9.986 36 3HD1 ILE 3 HD3 ILE 3 -15.260 -6.824 -10.102 37 H CYS 4 HN CYS 4 -16.015 -5.545 -5.913 38 HA CYS 4 HA CYS 4 -15.183 -6.309 -3.362 39 1HB CYS 4 HB1 CYS 4 -17.909 -5.735 -4.504 40 2HB CYS 4 HB2 CYS 4 -16.951 -4.744 -3.445 41 H GLU 5 HN GLU 5 -14.933 -8.192 -2.444 42 HA GLU 5 HA GLU 5 -15.637 -10.665 -3.594 43 1HB GLU 5 HB1 GLU 5 -15.278 -11.472 -1.115 44 2HB GLU 5 HB2 GLU 5 -14.873 -9.790 -0.794 45 1HG GLU 5 HG1 GLU 5 -12.771 -10.631 -1.354 46 2HG GLU 5 HG2 GLU 5 -13.329 -10.096 -2.937 47 H GLU 6 HN GLU 6 -17.556 -8.529 -1.652 48 HA GLU 6 HA GLU 6 -19.450 -10.636 -0.956 49 1HB GLU 6 HB1 GLU 6 -19.926 -7.660 -0.633 50 2HB GLU 6 HB2 GLU 6 -18.831 -8.511 0.448 51 1HG GLU 6 HG1 GLU 6 -20.662 -10.117 0.995 52 2HG GLU 6 HG2 GLU 6 -21.754 -9.187 -0.028 53 H CYS 7 HN CYS 7 -19.954 -7.480 -2.511 54 HA CYS 7 HA CYS 7 -22.325 -8.486 -3.864 55 1HB CYS 7 HB1 CYS 7 -22.589 -6.268 -4.657 56 2HB CYS 7 HB2 CYS 7 -20.882 -5.938 -4.578 57 H GLY 8 HN GLY 8 -19.133 -7.340 -4.915 58 1HA GLY 8 HA1 GLY 8 -19.459 -8.971 -7.397 59 2HA GLY 8 HA2 GLY 8 -17.909 -8.541 -6.682 60 H ILE 9 HN ILE 9 -19.307 -5.805 -6.178 61 HA ILE 9 HA ILE 9 -19.854 -4.584 -8.643 62 HB ILE 9 HB ILE 9 -20.079 -3.663 -6.205 63 1HG1 ILE 9 HG11 ILE 9 -20.660 -2.417 -8.284 64 2HG1 ILE 9 HG12 ILE 9 -19.007 -1.829 -8.376 65 1HG2 ILE 9 HG21 ILE 9 -17.493 -3.923 -5.887 66 2HG2 ILE 9 HG22 ILE 9 -18.198 -2.414 -5.345 67 3HG2 ILE 9 HG23 ILE 9 -17.339 -2.477 -6.876 68 1HD1 ILE 9 HD1 ILE 9 -20.722 -0.280 -7.242 69 2HD1 ILE 9 HD2 ILE 9 -19.232 -0.579 -6.354 70 3HD1 ILE 9 HD3 ILE 9 -20.708 -1.426 -5.907 71 NH1 ARG 10 NH1 ARG 10 -15.133 -6.658 -16.358 72 NH2 ARG 10 NH2 ARG 10 -13.373 -5.262 -16.773 73 H ARG 10 HN ARG 10 -18.645 -4.109 -10.343 74 HA ARG 10 HA ARG 10 -15.703 -4.399 -10.091 75 1HB ARG 10 HB1 ARG 10 -17.457 -4.171 -12.581 76 2HB ARG 10 HB2 ARG 10 -16.970 -5.695 -11.851 77 1HG ARG 10 HG1 ARG 10 -14.536 -4.727 -12.084 78 2HG ARG 10 HG2 ARG 10 -15.268 -3.649 -13.267 79 1HD ARG 10 HD1 ARG 10 -16.219 -5.685 -14.421 80 2HD ARG 10 HD2 ARG 10 -15.279 -6.685 -13.315 81 HE ARG 10 HE ARG 10 -13.283 -5.239 -14.293 82 1HH1 ARG 10 HH11 ARG 10 -15.760 -7.073 -15.697 83 2HH1 ARG 10 HH12 ARG 10 -15.213 -6.880 -17.329 84 1HH2 ARG 10 HH21 ARG 10 -12.680 -4.631 -16.425 85 2HH2 ARG 10 HH22 ARG 10 -13.423 -5.460 -17.752 86 H ABA 11 HN ABU 11 -14.921 -2.479 -9.395 87 HA ABA 11 HA ABU 11 -15.630 -0.051 -11.008 88 1HB ABA 11 HB1 ABU 11 -14.909 1.236 -9.004 89 2HB ABA 11 HB2 ABU 11 -14.507 -0.254 -8.174 90 1HG ABA 11 HG1 ABU 11 -17.137 -0.624 -9.092 91 2HG ABA 11 HG2 ABU 11 -17.098 1.026 -8.483 92 3HG ABA 11 HG3 ABU 11 -16.644 -0.311 -7.431 93 H LYS 12 HN LYS 12 -14.116 0.094 -12.537 94 HA LYS 12 HA LYS 12 -11.449 -0.828 -12.332 95 1HB LYS 12 HB1 LYS 12 -11.080 0.411 -14.404 96 2HB LYS 12 HB2 LYS 12 -12.451 1.463 -14.074 97 1HG LYS 12 HG1 LYS 12 -13.988 -0.453 -14.245 98 2HG LYS 12 HG2 LYS 12 -12.629 -1.537 -14.513 99 1HD LYS 12 HD1 LYS 12 -12.471 0.688 -16.348 100 2HD LYS 12 HD2 LYS 12 -14.059 -0.061 -16.465 101 1HE LYS 12 HE1 LYS 12 -12.488 -1.177 -17.993 102 2HE LYS 12 HE2 LYS 12 -12.976 -2.284 -16.716 103 1HZ LYS 12 HZ1 LYS 12 -10.947 -2.022 -15.620 104 2HZ LYS 12 HZ2 LYS 12 -10.523 -0.648 -16.524 105 3HZ LYS 12 HZ3 LYS 12 -10.534 -2.178 -17.260 106 H LYS 13 HN LYS 13 -12.626 1.397 -10.364 107 HA LYS 13 HA LYS 13 -10.057 2.879 -10.287 108 1HB LYS 13 HB1 LYS 13 -11.377 4.918 -9.625 109 2HB LYS 13 HB2 LYS 13 -12.858 3.996 -9.876 110 1HG LYS 13 HG1 LYS 13 -12.287 3.656 -12.234 111 2HG LYS 13 HG2 LYS 13 -10.745 4.473 -12.005 112 1HD LYS 13 HD1 LYS 13 -11.793 6.577 -11.627 113 2HD LYS 13 HD2 LYS 13 -13.369 5.835 -11.372 114 1HE LYS 13 HE1 LYS 13 -12.143 5.214 -13.986 115 2HE LYS 13 HE2 LYS 13 -12.530 6.915 -13.757 116 1HZ LYS 13 HZ1 LYS 13 -14.721 5.636 -12.805 117 2HZ LYS 13 HZ2 LYS 13 -14.279 4.679 -14.137 118 3HZ LYS 13 HZ3 LYS 13 -14.575 6.339 -14.344 119 HA PRO 14 HA PRO 14 -10.235 1.358 -6.045 120 1HB PRO 14 HB1 PRO 14 -8.009 1.611 -5.497 121 2HB PRO 14 HB2 PRO 14 -8.328 3.296 -5.082 122 1HG PRO 14 HG1 PRO 14 -6.808 2.333 -7.310 123 2HG PRO 14 HG2 PRO 14 -7.256 4.007 -6.980 124 1HD PRO 14 HD1 PRO 14 -8.668 3.945 -8.773 125 2HD PRO 14 HD2 PRO 14 -8.311 2.223 -9.014 126 H SER 15 HN SER 15 -10.367 4.769 -6.871 127 HA SER 15 HA SER 15 -11.202 5.814 -4.387 128 1HB SER 15 HB1 SER 15 -10.715 7.147 -6.527 129 2HB SER 15 HB2 SER 15 -12.233 7.635 -5.748 130 HG SER 15 HG1 SER 15 -13.358 6.330 -7.143 131 H MET 16 HN MET 16 -13.168 4.493 -7.032 132 HA MET 16 HA MET 16 -15.637 4.755 -5.555 133 1HB MET 16 HB1 MET 16 -16.370 3.043 -7.438 134 2HB MET 16 HB2 MET 16 -14.766 3.351 -8.091 135 1HG MET 16 HG1 MET 16 -15.222 5.766 -8.094 136 2HG MET 16 HG2 MET 16 -16.811 5.476 -7.436 137 1HE MET 16 HE1 MET 16 -18.216 3.313 -8.944 138 2HE MET 16 HE2 MET 16 -18.980 4.294 -10.195 139 3HE MET 16 HE3 MET 16 -18.808 4.929 -8.558 140 H LEU 17 HN LEU 17 -13.458 1.984 -6.209 141 HA LEU 17 HA LEU 17 -15.121 0.091 -4.860 142 1HB LEU 17 HB1 LEU 17 -12.089 -0.066 -4.910 143 2HB LEU 17 HB2 LEU 17 -13.005 -0.288 -6.386 144 HG LEU 17 HG LEU 17 -12.488 -2.466 -5.275 145 1HD1 LEU 17 HD11 LEU 17 -12.655 -1.416 -2.920 146 2HD1 LEU 17 HD12 LEU 17 -13.282 -3.045 -3.125 147 3HD1 LEU 17 HD13 LEU 17 -14.386 -1.684 -3.053 148 1HD2 LEU 17 HD21 LEU 17 -15.460 -2.201 -4.942 149 2HD2 LEU 17 HD22 LEU 17 -14.527 -3.423 -5.790 150 3HD2 LEU 17 HD23 LEU 17 -14.773 -1.845 -6.515 151 H LYS 18 HN LYS 18 -12.177 1.760 -3.795 152 HA LYS 18 HA LYS 18 -11.967 0.982 -1.188 153 1HB LYS 18 HB1 LYS 18 -11.227 3.386 -0.692 154 2HB LYS 18 HB2 LYS 18 -11.752 3.808 -2.315 155 1HG LYS 18 HG1 LYS 18 -9.554 3.281 -2.802 156 2HG LYS 18 HG2 LYS 18 -10.237 1.664 -2.926 157 1HD LYS 18 HD1 LYS 18 -8.480 1.255 -1.462 158 2HD LYS 18 HD2 LYS 18 -9.760 1.619 -0.310 159 1HE LYS 18 HE1 LYS 18 -9.009 4.002 -0.280 160 2HE LYS 18 HE2 LYS 18 -7.695 3.582 -1.370 161 1HZ LYS 18 HZ1 LYS 18 -8.115 2.438 1.335 162 2HZ LYS 18 HZ2 LYS 18 -6.977 3.633 0.933 163 3HZ LYS 18 HZ3 LYS 18 -6.833 2.069 0.285 164 H LYS 19 HN LYS 19 -14.101 3.637 -2.272 165 HA LYS 19 HA LYS 19 -15.256 3.982 0.327 166 1HB LYS 19 HB1 LYS 19 -16.342 4.697 -2.437 167 2HB LYS 19 HB2 LYS 19 -15.347 5.743 -1.430 168 1HG LYS 19 HG1 LYS 19 -17.386 5.026 0.295 169 2HG LYS 19 HG2 LYS 19 -18.226 5.158 -1.246 170 1HD LYS 19 HD1 LYS 19 -17.213 7.413 -1.576 171 2HD LYS 19 HD2 LYS 19 -16.444 7.280 0.002 172 1HE LYS 19 HE1 LYS 19 -19.228 6.642 0.294 173 2HE LYS 19 HE2 LYS 19 -19.096 8.159 -0.586 174 1HZ LYS 19 HZ1 LYS 19 -18.912 7.867 2.098 175 2HZ LYS 19 HZ2 LYS 19 -18.387 9.216 1.213 176 3HZ LYS 19 HZ3 LYS 19 -17.286 7.990 1.627 177 H HIS 20 HN HIS 20 -16.152 2.071 -2.493 178 HA HIS 20 HA HIS 20 -18.754 1.311 -1.674 179 1HB HIS 20 HB1 HIS 20 -16.644 -0.244 -3.224 180 2HB HIS 20 HB2 HIS 20 -17.916 0.738 -3.928 181 HD1 HIS 20 HD1 HIS 20 -19.948 -0.623 -4.425 182 HD2 HIS 20 HD2 HIS 20 -17.622 -2.506 -1.668 183 HE1 HIS 20 HE1 HIS 20 -21.031 -2.779 -4.015 184 H ILE 21 HN ILE 21 -15.600 -0.205 -0.979 185 HA ILE 21 HA ILE 21 -16.781 -2.336 0.526 186 HB ILE 21 HB ILE 21 -14.288 -1.990 -0.425 187 1HG1 ILE 21 HG11 ILE 21 -15.329 -3.580 1.897 188 2HG1 ILE 21 HG12 ILE 21 -13.607 -3.642 1.545 189 1HG2 ILE 21 HG21 ILE 21 -13.898 -1.434 2.553 190 2HG2 ILE 21 HG22 ILE 21 -13.979 -0.119 1.395 191 3HG2 ILE 21 HG23 ILE 21 -12.708 -1.314 1.264 192 1HD1 ILE 21 HD1 ILE 21 -14.821 -5.435 0.346 193 2HD1 ILE 21 HD2 ILE 21 -14.106 -4.296 -0.789 194 3HD1 ILE 21 HD3 ILE 21 -15.830 -4.228 -0.443 195 NH1 ARG 22 NH1 ARG 22 -11.302 3.297 2.711 196 NH2 ARG 22 NH2 ARG 22 -10.676 4.974 4.132 197 H ARG 22 HN ARG 22 -15.853 0.924 1.348 198 HA ARG 22 HA ARG 22 -15.893 0.545 4.212 199 1HB ARG 22 HB1 ARG 22 -16.336 3.100 4.158 200 2HB ARG 22 HB2 ARG 22 -16.303 2.971 2.404 201 1HG ARG 22 HG1 ARG 22 -14.033 1.914 2.576 202 2HG ARG 22 HG2 ARG 22 -14.068 2.211 4.310 203 1HD ARG 22 HD1 ARG 22 -14.746 4.686 3.297 204 2HD ARG 22 HD2 ARG 22 -13.594 4.101 2.097 205 HE ARG 22 HE ARG 22 -12.998 4.550 4.976 206 1HH1 ARG 22 HH11 ARG 22 -12.024 2.709 2.347 207 2HH1 ARG 22 HH12 ARG 22 -10.365 3.206 2.375 208 1HH2 ARG 22 HH21 ARG 22 -10.927 5.642 4.832 209 2HH2 ARG 22 HH22 ARG 22 -9.727 4.911 3.819 210 H THR 23 HN THR 23 -18.388 0.892 1.827 211 HA THR 23 HA THR 23 -20.454 1.791 3.637 212 HB THR 23 HB THR 23 -20.996 0.043 1.182 213 HG1 THR 23 HG1 THR 23 -20.465 1.830 -0.027 214 1HG2 THR 23 HG21 THR 23 -22.814 1.267 2.692 215 2HG2 THR 23 HG22 THR 23 -22.900 1.532 0.953 216 3HG2 THR 23 HG23 THR 23 -22.165 2.749 1.994 217 H HIS 24 HN HIS 24 -19.103 -1.379 2.949 218 HA HIS 24 HA HIS 24 -21.325 -2.872 4.083 219 1HB HIS 24 HB1 HIS 24 -19.460 -4.688 4.324 220 2HB HIS 24 HB2 HIS 24 -18.391 -3.523 3.551 221 HD1 HIS 24 HD1 HIS 24 -21.815 -4.875 2.729 222 HD2 HIS 24 HD2 HIS 24 -18.319 -3.927 0.876 223 HE1 HIS 24 HE1 HIS 24 -22.162 -5.394 0.334 224 H THR 25 HN THR 25 -19.668 -0.620 5.550 225 HA THR 25 HA THR 25 -18.905 -2.080 7.991 226 HB THR 25 HB THR 25 -18.301 0.313 8.727 227 HG1 THR 25 HG1 THR 25 -19.667 0.666 6.326 228 1HG2 THR 25 HG21 THR 25 -16.463 -0.713 7.503 229 2HG2 THR 25 HG22 THR 25 -16.756 0.801 6.655 230 3HG2 THR 25 HG23 THR 25 -17.382 -0.709 6.002 231 H ASP 26 HN ASP 26 -20.105 0.962 8.592 232 HA ASP 26 HA ASP 26 -22.847 0.090 9.190 233 1HB ASP 26 HB1 ASP 26 -22.457 1.068 11.604 234 2HB ASP 26 HB2 ASP 26 -20.744 0.819 11.272 235 H VAL 27 HN VAL 27 -21.482 1.927 7.465 236 HA VAL 27 HA VAL 27 -22.202 4.572 8.582 237 HB VAL 27 HB VAL 27 -20.024 4.327 7.449 238 1HG1 VAL 27 HG11 VAL 27 -21.630 3.552 4.997 239 2HG1 VAL 27 HG12 VAL 27 -20.697 2.436 5.977 240 3HG1 VAL 27 HG13 VAL 27 -19.879 3.709 5.086 241 1HG2 VAL 27 HG21 VAL 27 -21.314 5.843 5.301 242 2HG2 VAL 27 HG22 VAL 27 -20.198 6.400 6.544 243 3HG2 VAL 27 HG23 VAL 27 -21.921 6.293 6.891 244 NH1 ARG 28 NH2 ARG 28 -25.208 -1.798 2.467 245 NH2 ARG 28 NH1 ARG 28 -24.895 -2.697 4.545 246 H ARG 28 HN ARG 28 -24.375 2.969 8.142 247 HA ARG 28 HA ARG 28 -25.668 4.139 5.711 248 1HB ARG 28 HB1 ARG 28 -27.307 2.169 6.128 249 2HB ARG 28 HB2 ARG 28 -26.094 1.544 7.236 250 1HG ARG 28 HG1 ARG 28 -24.503 2.020 5.127 251 2HG ARG 28 HG2 ARG 28 -26.014 1.784 4.259 252 1HD ARG 28 HD1 ARG 28 -26.329 -0.393 5.387 253 2HD ARG 28 HD2 ARG 28 -24.818 -0.160 6.264 254 HE ARG 28 HE ARG 28 -23.866 0.020 3.784 255 1HH1 ARG 28 HH21 ARG 28 -25.202 -0.995 1.872 256 2HH1 ARG 28 HH22 ARG 28 -25.448 -2.694 2.095 257 1HH2 ARG 28 HH11 ARG 28 -24.655 -2.567 5.506 258 2HH2 ARG 28 HH12 ARG 28 -25.130 -3.608 4.206 259 HA PRO 29 HA PRO 29 -27.633 6.091 9.450 260 1HB PRO 29 HB1 PRO 29 -27.264 8.323 9.072 261 2HB PRO 29 HB2 PRO 29 -28.377 8.305 7.704 262 1HG PRO 29 HG1 PRO 29 -25.458 8.341 7.657 263 2HG PRO 29 HG2 PRO 29 -26.574 8.484 6.298 264 1HD PRO 29 HD1 PRO 29 -26.198 6.325 5.694 265 2HD PRO 29 HD2 PRO 29 -24.947 6.231 6.944 266 OH TYR 30 OH TYR 30 -29.595 10.628 2.924 267 H TYR 30 HN TYR 30 -28.823 5.771 6.144 268 HA TYR 30 HA TYR 30 -31.594 6.240 6.845 269 1HB TYR 30 HB1 TYR 30 -32.032 5.253 4.576 270 2HB TYR 30 HB2 TYR 30 -30.352 4.744 4.483 271 HD1 TYR 30 HD1 TYR 30 -32.430 7.805 5.043 272 HD2 TYR 30 HD2 TYR 30 -28.767 6.223 3.569 273 HE1 TYR 30 HE1 TYR 30 -31.814 10.022 4.196 274 HE2 TYR 30 HE2 TYR 30 -28.151 8.441 2.721 275 HH TYR 30 HH TYR 30 -30.199 10.851 2.211 276 H HIS 31 HN HIS 31 -32.529 4.969 8.323 277 HA HIS 31 HA HIS 31 -32.226 1.992 8.035 278 1HB HIS 31 HB1 HIS 31 -33.083 2.191 10.562 279 2HB HIS 31 HB2 HIS 31 -32.467 3.834 10.427 280 HD1 HIS 31 HD1 HIS 31 -31.336 0.626 11.235 281 HD2 HIS 31 HD2 HIS 31 -29.622 3.815 9.408 282 HE1 HIS 31 HE1 HIS 31 -28.947 0.239 11.418 283 H CYS 32 HN CYS 32 -34.081 0.785 7.817 284 HA CYS 32 HA CYS 32 -36.514 2.088 7.100 285 1HB CYS 32 HB1 CYS 32 -35.818 -0.731 7.967 286 2HB CYS 32 HB2 CYS 32 -36.263 -0.177 6.377 287 H THR 33 HN THR 33 -38.431 2.422 8.236 288 HA THR 33 HA THR 33 -38.072 2.916 11.087 289 HB THR 33 HB THR 33 -40.487 3.166 9.201 290 HG1 THR 33 HG1 THR 33 -39.674 5.112 9.012 291 1HG2 THR 33 HG21 THR 33 -40.139 3.622 12.184 292 2HG2 THR 33 HG22 THR 33 -41.588 3.110 11.324 293 3HG2 THR 33 HG23 THR 33 -41.084 4.797 11.276 294 OH TYR 34 OH TYR 34 -44.573 2.312 9.301 295 H TYR 34 HN TYR 34 -38.255 0.117 9.723 296 HA TYR 34 HA TYR 34 -39.848 -1.060 11.930 297 1HB TYR 34 HB1 TYR 34 -41.030 -2.572 10.375 298 2HB TYR 34 HB2 TYR 34 -40.146 -1.913 9.007 299 HD1 TYR 34 HD2 TYR 34 -40.532 0.513 8.356 300 HD2 TYR 34 HD1 TYR 34 -42.973 -1.460 11.227 301 HE1 TYR 34 HE2 TYR 34 -42.268 2.214 8.047 302 HE2 TYR 34 HE1 TYR 34 -44.704 0.250 10.921 303 HH TYR 34 HH TYR 34 -45.076 2.371 10.118 304 H CYS 35 HN CYS 35 -38.342 -2.354 8.977 305 HA CYS 35 HA CYS 35 -37.214 -4.636 10.205 306 1HB CYS 35 HB1 CYS 35 -35.732 -4.739 8.251 307 2HB CYS 35 HB2 CYS 35 -35.982 -3.053 7.920 308 H ASN 36 HN ASN 36 -34.568 -4.682 9.615 309 HA ASN 36 HA ASN 36 -33.380 -2.660 11.471 310 1HB ASN 36 HB1 ASN 36 -32.586 -5.599 11.117 311 2HB ASN 36 HB2 ASN 36 -33.559 -4.995 12.456 312 1HD2 ASN 36 HD21 ASN 36 -30.527 -5.977 11.924 313 2HD2 ASN 36 HD22 ASN 36 -29.655 -4.908 12.913 314 H PHE 37 HN PHE 37 -33.619 -3.445 8.403 315 HA PHE 37 HA PHE 37 -30.802 -3.550 7.625 316 1HB PHE 37 HB1 PHE 37 -33.092 -2.864 5.762 317 2HB PHE 37 HB2 PHE 37 -32.939 -4.505 6.383 318 HD1 PHE 37 HD2 PHE 37 -30.629 -5.662 6.087 319 HD2 PHE 37 HD1 PHE 37 -31.784 -2.182 3.915 320 HE1 PHE 37 HE2 PHE 37 -28.901 -6.132 4.405 321 HE2 PHE 37 HE1 PHE 37 -30.054 -2.659 2.238 322 HZ PHE 37 HZ PHE 37 -28.613 -4.633 2.482 323 H SER 38 HN SER 38 -29.751 -1.934 6.352 324 HA SER 38 HA SER 38 -30.964 0.766 6.496 325 1HB SER 38 HB1 SER 38 -28.067 0.304 7.295 326 2HB SER 38 HB2 SER 38 -29.365 0.226 8.493 327 HG SER 38 HG1 SER 38 -29.268 2.324 6.631 328 H PHE 39 HN PHE 39 -30.101 2.263 5.036 329 HA PHE 39 HA PHE 39 -28.440 1.046 2.865 330 1HB PHE 39 HB1 PHE 39 -29.854 2.101 1.272 331 2HB PHE 39 HB2 PHE 39 -30.451 3.270 2.449 332 HD1 PHE 39 HD2 PHE 39 -31.886 2.381 4.392 333 HD2 PHE 39 HD1 PHE 39 -31.028 0.050 0.934 334 HE1 PHE 39 HE2 PHE 39 -33.798 0.927 4.897 335 HE2 PHE 39 HE1 PHE 39 -32.949 -1.396 1.437 336 HZ PHE 39 HZ PHE 39 -34.339 -0.954 3.416 337 H LYS 40 HN LYS 40 -27.103 2.508 1.696 338 HA LYS 40 HA LYS 40 -25.958 4.574 3.435 339 1HB LYS 40 HB1 LYS 40 -25.236 3.493 0.674 340 2HB LYS 40 HB2 LYS 40 -24.468 3.074 2.188 341 1HG LYS 40 HG1 LYS 40 -24.398 5.801 0.840 342 2HG LYS 40 HG2 LYS 40 -23.060 4.675 0.983 343 1HD LYS 40 HD1 LYS 40 -23.486 4.818 3.537 344 2HD LYS 40 HD2 LYS 40 -24.391 6.275 3.161 345 1HE LYS 40 HE1 LYS 40 -22.188 6.787 1.713 346 2HE LYS 40 HE2 LYS 40 -21.463 5.752 2.936 347 1HZ LYS 40 HZ1 LYS 40 -21.511 7.419 4.357 348 2HZ LYS 40 HZ2 LYS 40 -23.195 7.569 4.190 349 3HZ LYS 40 HZ3 LYS 40 -22.159 8.433 3.159 350 H THR 41 HN THR 41 -28.193 4.406 0.860 351 HA THR 41 HA THR 41 -28.052 7.383 0.570 352 HB THR 41 HB THR 41 -28.487 7.148 -1.817 353 HG1 THR 41 HG1 THR 41 -30.085 5.543 -1.484 354 1HG2 THR 41 HG21 THR 41 -26.870 4.614 -1.218 355 2HG2 THR 41 HG22 THR 41 -26.149 6.204 -0.985 356 3HG2 THR 41 HG23 THR 41 -26.680 5.705 -2.588 357 H LYS 42 HN LYS 42 -30.036 8.415 0.063 358 HA LYS 42 HA LYS 42 -32.256 7.265 1.510 359 1HB LYS 42 HB1 LYS 42 -32.318 9.751 -0.242 360 2HB LYS 42 HB2 LYS 42 -31.584 9.766 1.358 361 1HG LYS 42 HG1 LYS 42 -33.713 9.007 2.351 362 2HG LYS 42 HG2 LYS 42 -34.449 8.957 0.753 363 1HD LYS 42 HD1 LYS 42 -34.510 11.272 0.558 364 2HD LYS 42 HD2 LYS 42 -33.136 11.505 1.633 365 1HE LYS 42 HE1 LYS 42 -34.429 11.288 3.556 366 2HE LYS 42 HE2 LYS 42 -35.641 10.296 2.756 367 1HZ LYS 42 HZ1 LYS 42 -36.444 12.528 3.248 368 2HZ LYS 42 HZ2 LYS 42 -36.431 12.222 1.577 369 3HZ LYS 42 HZ3 LYS 42 -35.223 13.193 2.273 370 H GLY 43 HN GLY 43 -31.226 7.336 -1.756 371 1HA GLY 43 HA1 GLY 43 -32.226 6.497 -3.711 372 2HA GLY 43 HA2 GLY 43 -33.741 7.149 -3.092 373 H ASN 44 HN ASN 44 -31.510 4.516 -2.224 374 HA ASN 44 HA ASN 44 -33.198 2.377 -2.831 375 1HB ASN 44 HB1 ASN 44 -31.870 1.234 -0.873 376 2HB ASN 44 HB2 ASN 44 -31.029 2.774 -0.740 377 1HD2 ASN 44 HD21 ASN 44 -29.403 0.729 -1.452 378 2HD2 ASN 44 HD22 ASN 44 -29.038 0.761 -3.108 379 H LEU 45 HN LEU 45 -33.242 4.513 -0.072 380 HA LEU 45 HA LEU 45 -34.830 2.943 1.682 381 1HB LEU 45 HB1 LEU 45 -35.170 5.945 1.361 382 2HB LEU 45 HB2 LEU 45 -33.655 5.310 1.975 383 HG LEU 45 HG LEU 45 -35.243 5.927 3.805 384 1HD1 LEU 45 HD11 LEU 45 -36.967 3.605 2.905 385 2HD1 LEU 45 HD12 LEU 45 -37.293 5.257 2.402 386 3HD1 LEU 45 HD13 LEU 45 -37.332 4.832 4.109 387 1HD2 LEU 45 HD21 LEU 45 -34.553 4.179 5.127 388 2HD2 LEU 45 HD22 LEU 45 -33.613 3.769 3.703 389 3HD2 LEU 45 HD23 LEU 45 -35.131 2.951 4.011 390 H THR 46 HN THR 46 -35.897 5.575 -0.479 391 HA THR 46 HA THR 46 -38.656 5.187 -0.222 392 HB THR 46 HB THR 46 -37.127 5.903 -2.802 393 HG1 THR 46 HG1 THR 46 -36.818 7.023 -0.651 394 1HG2 THR 46 HG21 THR 46 -39.258 7.396 -3.019 395 2HG2 THR 46 HG22 THR 46 -39.967 6.397 -1.753 396 3HG2 THR 46 HG23 THR 46 -39.525 5.678 -3.297 397 H LYS 47 HN LYS 47 -36.313 3.402 -2.118 398 HA LYS 47 HA LYS 47 -38.164 1.924 -3.716 399 1HB LYS 47 HB1 LYS 47 -35.648 0.614 -2.695 400 2HB LYS 47 HB2 LYS 47 -35.468 2.077 -3.655 401 1HG LYS 47 HG1 LYS 47 -36.823 1.064 -5.459 402 2HG LYS 47 HG2 LYS 47 -37.018 -0.397 -4.496 403 1HD LYS 47 HD1 LYS 47 -34.508 -0.621 -4.452 404 2HD LYS 47 HD2 LYS 47 -34.415 0.735 -5.569 405 1HE LYS 47 HE1 LYS 47 -36.215 -0.772 -6.892 406 2HE LYS 47 HE2 LYS 47 -35.359 -2.054 -6.046 407 1HZ LYS 47 HZ1 LYS 47 -33.782 -1.907 -7.557 408 2HZ LYS 47 HZ2 LYS 47 -33.438 -0.325 -7.045 409 3HZ LYS 47 HZ3 LYS 47 -34.549 -0.587 -8.302 410 H HIS 48 HN HIS 48 -36.757 1.275 -0.529 411 HA HIS 48 HA HIS 48 -38.058 -1.287 -0.245 412 1HB HIS 48 HB1 HIS 48 -36.905 0.661 1.822 413 2HB HIS 48 HB2 HIS 48 -36.078 -0.721 1.114 414 HD1 HIS 48 HD1 HIS 48 -38.079 -2.873 1.468 415 HD2 HIS 48 HD2 HIS 48 -37.491 -0.092 4.403 416 HE1 HIS 48 HE1 HIS 48 -38.847 -3.938 3.534 417 H MET 49 HN MET 49 -39.134 1.947 0.030 418 HA MET 49 HA MET 49 -41.385 1.243 1.808 419 1HB MET 49 HB1 MET 49 -42.013 3.649 1.499 420 2HB MET 49 HB2 MET 49 -40.750 3.821 0.286 421 1HG MET 49 HG1 MET 49 -40.166 4.598 2.633 422 2HG MET 49 HG2 MET 49 -39.037 3.527 1.856 423 1HE MET 49 HE1 MET 49 -40.317 4.523 5.014 424 2HE MET 49 HE2 MET 49 -41.091 3.148 5.804 425 3HE MET 49 HE3 MET 49 -41.860 3.914 4.412 426 H LYS 50 HN LYS 50 -40.783 1.961 -1.588 427 HA LYS 50 HA LYS 50 -43.331 2.313 -2.606 428 1HB LYS 50 HB1 LYS 50 -41.178 0.449 -3.728 429 2HB LYS 50 HB2 LYS 50 -41.258 2.184 -4.007 430 1HG LYS 50 HG1 LYS 50 -43.571 1.823 -4.988 431 2HG LYS 50 HG2 LYS 50 -43.268 0.092 -4.894 432 1HD LYS 50 HD1 LYS 50 -41.568 2.099 -6.412 433 2HD LYS 50 HD2 LYS 50 -42.698 0.961 -7.137 434 1HE LYS 50 HE1 LYS 50 -41.304 -0.828 -5.785 435 2HE LYS 50 HE2 LYS 50 -40.063 0.418 -5.796 436 1HZ LYS 50 HZ1 LYS 50 -41.417 -0.268 -8.306 437 2HZ LYS 50 HZ2 LYS 50 -40.210 -1.304 -7.709 438 3HZ LYS 50 HZ3 LYS 50 -39.843 0.318 -8.052 439 H SER 51 HN SER 51 -41.804 -0.813 -1.884 440 HA SER 51 HA SER 51 -44.044 -2.414 -2.605 441 1HB SER 51 HB1 SER 51 -42.216 -3.165 -0.294 442 2HB SER 51 HB2 SER 51 -41.552 -3.078 -1.938 443 HG SER 51 HG1 SER 51 -42.636 -4.804 -2.432 444 H LYS 52 HN LYS 52 -45.797 -3.126 -1.458 445 HA LYS 52 HA LYS 52 -46.688 -1.438 0.722 446 1HB LYS 52 HB1 LYS 52 -48.238 -2.482 -0.953 447 2HB LYS 52 HB2 LYS 52 -48.685 -2.921 0.692 448 1HG LYS 52 HG1 LYS 52 -47.928 -5.114 0.457 449 2HG LYS 52 HG2 LYS 52 -46.774 -4.689 -0.802 450 1HD LYS 52 HD1 LYS 52 -48.724 -5.943 -1.713 451 2HD LYS 52 HD2 LYS 52 -48.602 -4.327 -2.398 452 1HE LYS 52 HE1 LYS 52 -50.352 -3.495 -0.990 453 2HE LYS 52 HE2 LYS 52 -50.309 -4.927 0.030 454 1HZ LYS 52 HZ1 LYS 52 -52.102 -4.640 -1.824 455 2HZ LYS 52 HZ2 LYS 52 -51.432 -6.164 -1.486 456 3HZ LYS 52 HZ3 LYS 52 -50.878 -5.269 -2.819 457 H ALA 53 HN ALA 53 -44.244 -2.902 1.270 458 HA ALA 53 HA ALA 53 -44.628 -5.175 2.906 459 1HB ALA 53 HB1 ALA 53 -42.468 -4.356 4.031 460 2HB ALA 53 HB2 ALA 53 -42.589 -2.902 3.044 461 3HB ALA 53 HB3 ALA 53 -42.374 -4.472 2.276 462 H HIS 54 HN HIS 54 -43.548 -2.236 4.497 463 HA HIS 54 HA HIS 54 -45.978 -2.207 6.168 464 1HB HIS 54 HB1 HIS 54 -44.760 -3.706 7.515 465 2HB HIS 54 HB2 HIS 54 -44.275 -2.164 8.208 466 HD1 HIS 54 HD1 HIS 54 -42.835 -5.093 6.862 467 HD2 HIS 54 HD2 HIS 54 -41.700 -1.166 6.904 468 HE1 HIS 54 HE1 HIS 54 -40.417 -5.105 6.477 469 H SER 55 HN SER 55 -45.934 -0.169 4.835 470 HA SER 55 HA SER 55 -44.256 1.922 6.172 471 1HB SER 55 HB1 SER 55 -45.625 1.948 3.425 472 2HB SER 55 HB2 SER 55 -43.884 1.760 3.708 473 HG SER 55 HG1 SER 55 -45.340 4.009 3.668 474 H LYS 56 HN LYS 56 -47.196 2.256 4.243 475 HA LYS 56 HA LYS 56 -48.654 3.167 6.667 476 1HB LYS 56 HB1 LYS 56 -49.388 5.220 5.474 477 2HB LYS 56 HB2 LYS 56 -48.452 4.755 4.060 478 1HG LYS 56 HG1 LYS 56 -46.367 4.901 5.349 479 2HG LYS 56 HG2 LYS 56 -47.270 5.269 6.812 480 1HD LYS 56 HD1 LYS 56 -46.815 7.434 6.183 481 2HD LYS 56 HD2 LYS 56 -48.246 7.211 5.189 482 1HE LYS 56 HE1 LYS 56 -45.381 6.743 4.294 483 2HE LYS 56 HE2 LYS 56 -46.383 8.116 3.845 484 1HZ LYS 56 HZ1 LYS 56 -46.739 6.777 2.076 485 2HZ LYS 56 HZ2 LYS 56 -47.984 6.205 3.079 486 3HZ LYS 56 HZ3 LYS 56 -46.528 5.340 2.956 487 H LYS 57 HN LYS 57 -50.141 4.208 3.883 488 HA LYS 57 HA LYS 57 -52.243 2.272 4.142 489 1HB LYS 57 HB1 LYS 57 -52.806 3.478 1.777 490 2HB LYS 57 HB2 LYS 57 -51.637 4.637 2.400 491 1HG LYS 57 HG1 LYS 57 -52.952 4.755 4.529 492 2HG LYS 57 HG2 LYS 57 -54.154 3.689 3.810 493 1HD LYS 57 HD1 LYS 57 -54.434 5.356 1.948 494 2HD LYS 57 HD2 LYS 57 -53.347 6.440 2.809 495 1HE LYS 57 HE1 LYS 57 -55.905 5.304 3.984 496 2HE LYS 57 HE2 LYS 57 -55.776 6.904 3.263 497 1HZ LYS 57 HZ1 LYS 57 -55.368 6.372 5.850 498 2HZ LYS 57 HZ2 LYS 57 -54.715 7.711 5.035 499 3HZ LYS 57 LYS 57 -53.777 6.313 5.262 Start of MODEL 53 Raw file had 499 H/Q atoms Start of MODEL 53 1 1H LYS 1 HT1 LYS 1 -9.718 -4.021 -11.134 2 2H LYS 1 HT2 LYS 1 -10.972 -5.080 -10.701 3 3H LYS 1 HT3 LYS 1 -9.453 -5.696 -11.143 4 HA LYS 1 HA LYS 1 -9.248 -5.864 -8.919 5 1HB LYS 1 HB1 LYS 1 -7.402 -4.430 -9.396 6 2HB LYS 1 HB2 LYS 1 -8.215 -3.590 -8.080 7 1HG LYS 1 HG1 LYS 1 -8.074 -1.819 -9.544 8 2HG LYS 1 HG2 LYS 1 -9.564 -2.520 -10.163 9 1HD LYS 1 HD1 LYS 1 -7.963 -3.973 -11.648 10 2HD LYS 1 HD2 LYS 1 -6.769 -2.737 -11.274 11 1HE LYS 1 HE1 LYS 1 -8.493 -1.016 -12.033 12 2HE LYS 1 HE2 LYS 1 -9.442 -2.363 -12.649 13 1HZ LYS 1 HZ1 LYS 1 -6.911 -2.794 -13.593 14 2HZ LYS 1 HZ2 LYS 1 -7.139 -1.120 -13.760 15 3HZ LYS 1 HZ3 LYS 1 -8.234 -2.201 -14.477 16 OH TYR 2 OH TYR 2 -8.620 2.000 -8.459 17 H TYR 2 HN TYR 2 -11.370 -3.269 -9.879 18 HA TYR 2 HA TYR 2 -12.290 -2.855 -7.105 19 1HB TYR 2 HB1 TYR 2 -13.830 -1.208 -8.172 20 2HB TYR 2 HB2 TYR 2 -13.302 -1.738 -9.765 21 HD1 TYR 2 HD2 TYR 2 -12.072 -0.243 -6.583 22 HD2 TYR 2 HD1 TYR 2 -11.312 -0.848 -10.725 23 HE1 TYR 2 HE2 TYR 2 -10.186 1.318 -6.466 24 HE2 TYR 2 HE1 TYR 2 -9.423 0.712 -10.604 25 HH TYR 2 HH TYR 2 -8.795 2.621 -7.748 26 H ILE 3 HN ILE 3 -12.887 -5.198 -7.021 27 HA ILE 3 HA ILE 3 -15.723 -5.502 -7.910 28 HB ILE 3 HB ILE 3 -13.657 -7.750 -7.795 29 1HG1 ILE 3 HG11 ILE 3 -13.024 -6.126 -9.538 30 2HG1 ILE 3 HG12 ILE 3 -14.655 -6.179 -10.199 31 1HG2 ILE 3 HG21 ILE 3 -16.356 -7.560 -9.225 32 2HG2 ILE 3 HG22 ILE 3 -16.173 -8.244 -7.614 33 3HG2 ILE 3 HG23 ILE 3 -15.387 -9.010 -8.987 34 1HD1 ILE 3 HD1 ILE 3 -12.776 -7.713 -11.239 35 2HD1 ILE 3 HD2 ILE 3 -14.398 -8.360 -11.010 36 3HD1 ILE 3 HD3 ILE 3 -13.124 -8.746 -9.857 37 H CYS 4 HN CYS 4 -16.830 -5.375 -6.038 38 HA CYS 4 HA CYS 4 -15.841 -5.882 -3.471 39 1HB CYS 4 HB1 CYS 4 -18.597 -6.103 -4.665 40 2HB CYS 4 HB2 CYS 4 -17.973 -4.863 -3.613 41 H GLU 5 HN GLU 5 -15.329 -7.623 -2.353 42 HA GLU 5 HA GLU 5 -15.253 -10.197 -3.591 43 1HB GLU 5 HB1 GLU 5 -14.291 -10.942 -1.481 44 2HB GLU 5 HB2 GLU 5 -15.000 -9.582 -0.618 45 1HG GLU 5 HG1 GLU 5 -13.508 -8.028 -1.591 46 2HG GLU 5 HG2 GLU 5 -13.091 -9.120 -2.910 47 H GLU 6 HN GLU 6 -17.720 -8.585 -1.873 48 HA GLU 6 HA GLU 6 -19.023 -11.121 -1.139 49 1HB GLU 6 HB1 GLU 6 -19.967 -8.288 -0.567 50 2HB GLU 6 HB2 GLU 6 -18.861 -9.159 0.489 51 1HG GLU 6 HG1 GLU 6 -20.536 -10.962 0.761 52 2HG GLU 6 HG2 GLU 6 -21.642 -10.094 -0.301 53 H CYS 7 HN CYS 7 -20.391 -8.062 -2.308 54 HA CYS 7 HA CYS 7 -22.498 -9.470 -3.702 55 1HB CYS 7 HB1 CYS 7 -23.346 -7.359 -4.206 56 2HB CYS 7 HB2 CYS 7 -21.772 -6.648 -4.389 57 H GLY 8 HN GLY 8 -19.384 -8.165 -4.670 58 1HA GLY 8 HA1 GLY 8 -19.732 -9.506 -7.276 59 2HA GLY 8 HA2 GLY 8 -18.234 -8.814 -6.671 60 H ILE 9 HN ILE 9 -20.122 -6.410 -5.958 61 HA ILE 9 HA ILE 9 -21.133 -5.224 -8.254 62 HB ILE 9 HB ILE 9 -21.036 -4.371 -5.765 63 1HG1 ILE 9 HG11 ILE 9 -21.067 -2.801 -8.309 64 2HG1 ILE 9 HG12 ILE 9 -21.007 -1.901 -6.797 65 1HG2 ILE 9 HG21 ILE 9 -18.424 -4.197 -5.973 66 2HG2 ILE 9 HG22 ILE 9 -19.253 -2.834 -5.244 67 3HG2 ILE 9 HG23 ILE 9 -18.721 -2.742 -6.917 68 1HD1 ILE 9 HD1 ILE 9 -22.980 -4.157 -7.151 69 2HD1 ILE 9 HD2 ILE 9 -23.348 -2.547 -7.761 70 3HD1 ILE 9 HD3 ILE 9 -23.059 -2.793 -6.042 71 NH1 ARG 10 NH1 ARG 10 -17.899 -4.960 -15.946 72 NH2 ARG 10 NH2 ARG 10 -19.545 -6.544 -15.869 73 H ARG 10 HN ARG 10 -20.336 -4.274 -10.029 74 HA ARG 10 HA ARG 10 -17.378 -4.334 -10.371 75 1HB ARG 10 HB1 ARG 10 -19.572 -3.949 -12.462 76 2HB ARG 10 HB2 ARG 10 -18.910 -5.519 -12.025 77 1HG ARG 10 HG1 ARG 10 -16.744 -3.682 -12.542 78 2HG ARG 10 HG2 ARG 10 -17.858 -3.664 -13.905 79 1HD ARG 10 HD1 ARG 10 -16.619 -6.146 -12.664 80 2HD ARG 10 HD2 ARG 10 -16.167 -5.433 -14.212 81 HE ARG 10 HE ARG 10 -18.457 -7.135 -13.753 82 1HH1 ARG 10 HH11 ARG 10 -17.110 -4.524 -15.514 83 2HH1 ARG 10 HH12 ARG 10 -18.221 -4.641 -16.837 84 1HH2 ARG 10 HH21 ARG 10 -19.987 -7.295 -15.380 85 2HH2 ARG 10 HH22 ARG 10 -19.894 -6.252 -16.759 86 H ABA 11 HN ABU 11 -16.675 -2.434 -9.531 87 HA ABA 11 HA ABU 11 -17.737 0.058 -10.817 88 1HB ABA 11 HB1 ABU 11 -16.914 1.120 -8.578 89 2HB ABA 11 HB2 ABU 11 -16.883 -0.520 -7.959 90 1HG ABA 11 HG1 ABU 11 -19.260 -0.808 -8.551 91 2HG ABA 11 HG2 ABU 11 -19.303 0.826 -9.204 92 3HG ABA 11 HG3 ABU 11 -19.060 0.573 -7.478 93 H LYS 12 HN LYS 12 -16.046 -0.472 -12.383 94 HA LYS 12 HA LYS 12 -13.344 -0.726 -12.064 95 1HB LYS 12 HB1 LYS 12 -13.259 1.010 -14.085 96 2HB LYS 12 HB2 LYS 12 -15.010 0.903 -13.990 97 1HG LYS 12 HG1 LYS 12 -14.606 -0.851 -15.451 98 2HG LYS 12 HG2 LYS 12 -14.495 -1.716 -13.924 99 1HD LYS 12 HD1 LYS 12 -12.045 -1.444 -13.927 100 2HD LYS 12 HD2 LYS 12 -12.136 -0.525 -15.426 101 1HE LYS 12 HE1 LYS 12 -11.582 -3.048 -15.610 102 2HE LYS 12 HE2 LYS 12 -12.826 -2.413 -16.681 103 1HZ LYS 12 HZ1 LYS 12 -13.157 -4.554 -15.160 104 2HZ LYS 12 HZ2 LYS 12 -14.437 -3.543 -15.634 105 3HZ LYS 12 HZ3 LYS 12 -13.738 -3.364 -14.097 106 H LYS 13 HN LYS 13 -15.200 2.103 -11.192 107 HA LYS 13 HA LYS 13 -12.734 3.687 -10.887 108 1HB LYS 13 HB1 LYS 13 -14.204 5.573 -10.521 109 2HB LYS 13 HB2 LYS 13 -15.558 4.521 -10.132 110 1HG LYS 13 HG1 LYS 13 -14.407 3.972 -12.779 111 2HG LYS 13 HG2 LYS 13 -15.039 5.606 -12.629 112 1HD LYS 13 HD1 LYS 13 -17.197 4.750 -11.866 113 2HD LYS 13 HD2 LYS 13 -16.575 3.104 -11.856 114 1HE LYS 13 HE1 LYS 13 -16.070 4.303 -14.431 115 2HE LYS 13 HE2 LYS 13 -17.772 4.481 -14.030 116 1HZ LYS 13 HZ1 LYS 13 -18.121 2.276 -14.101 117 2HZ LYS 13 HZ2 LYS 13 -16.584 1.884 -13.493 118 3HZ LYS 13 HZ3 LYS 13 -16.769 2.303 -15.129 119 HA PRO 14 HA PRO 14 -12.302 2.786 -6.545 120 1HB PRO 14 HB1 PRO 14 -10.371 4.000 -6.172 121 2HB PRO 14 HB2 PRO 14 -11.378 5.392 -5.766 122 1HG PRO 14 HG1 PRO 14 -9.678 5.165 -8.028 123 2HG PRO 14 HG2 PRO 14 -10.890 6.418 -7.759 124 1HD PRO 14 HD1 PRO 14 -12.054 5.557 -9.535 125 2HD PRO 14 HD2 PRO 14 -10.962 4.161 -9.613 126 H SER 15 HN SER 15 -13.166 6.238 -6.821 127 HA SER 15 HA SER 15 -14.606 6.660 -4.546 128 1HB SER 15 HB1 SER 15 -14.454 8.437 -6.219 129 2HB SER 15 HB2 SER 15 -16.188 8.103 -6.043 130 HG SER 15 HG1 SER 15 -15.587 6.361 -7.713 131 H MET 16 HN MET 16 -15.941 5.083 -7.436 132 HA MET 16 HA MET 16 -18.538 4.649 -6.298 133 1HB MET 16 HB1 MET 16 -18.520 2.757 -8.139 134 2HB MET 16 HB2 MET 16 -16.961 3.439 -8.587 135 1HG MET 16 HG1 MET 16 -18.556 4.553 -9.936 136 2HG MET 16 HG2 MET 16 -18.078 5.688 -8.702 137 1HE MET 16 HE1 MET 16 -20.757 2.766 -8.993 138 2HE MET 16 HE2 MET 16 -20.710 3.751 -10.454 139 3HE MET 16 HE3 MET 16 -22.140 3.771 -9.422 140 H LEU 17 HN LEU 17 -15.705 2.496 -6.601 141 HA LEU 17 HA LEU 17 -17.005 0.368 -5.138 142 1HB LEU 17 HB1 LEU 17 -14.000 0.721 -5.459 143 2HB LEU 17 HB2 LEU 17 -14.992 0.255 -6.821 144 HG LEU 17 HG LEU 17 -13.853 -1.662 -5.521 145 1HD1 LEU 17 HD11 LEU 17 -14.412 -0.723 -3.259 146 2HD1 LEU 17 HD12 LEU 17 -14.840 -2.413 -3.475 147 3HD1 LEU 17 HD13 LEU 17 -16.088 -1.181 -3.552 148 1HD2 LEU 17 HD21 LEU 17 -15.916 -3.126 -5.554 149 2HD2 LEU 17 HD22 LEU 17 -15.617 -2.253 -7.048 150 3HD2 LEU 17 HD23 LEU 17 -16.857 -1.701 -5.939 151 H LYS 18 HN LYS 18 -14.222 2.419 -4.305 152 HA LYS 18 HA LYS 18 -13.742 1.830 -1.711 153 1HB LYS 18 HB1 LYS 18 -13.383 4.319 -1.307 154 2HB LYS 18 HB2 LYS 18 -14.159 4.633 -2.856 155 1HG LYS 18 HG1 LYS 18 -12.194 4.256 -3.898 156 2HG LYS 18 HG2 LYS 18 -12.199 2.608 -3.290 157 1HD LYS 18 HD1 LYS 18 -10.154 3.720 -2.541 158 2HD LYS 18 HD2 LYS 18 -11.193 3.436 -1.149 159 1HE LYS 18 HE1 LYS 18 -11.289 5.651 -0.720 160 2HE LYS 18 HE2 LYS 18 -11.875 5.975 -2.347 161 1HZ LYS 18 HZ1 LYS 18 -9.878 7.137 -2.157 162 2HZ LYS 18 HZ2 LYS 18 -9.476 5.750 -3.053 163 3HZ LYS 18 HZ3 LYS 18 -9.078 5.842 -1.404 164 H LYS 19 HN LYS 19 -16.499 3.855 -2.725 165 HA LYS 19 HA LYS 19 -17.471 4.135 -0.032 166 1HB LYS 19 HB1 LYS 19 -19.656 4.422 -1.820 167 2HB LYS 19 HB2 LYS 19 -18.254 4.981 -2.717 168 1HG LYS 19 HG1 LYS 19 -17.658 6.504 -0.858 169 2HG LYS 19 HG2 LYS 19 -19.030 5.913 0.067 170 1HD LYS 19 HD1 LYS 19 -19.878 7.885 -0.917 171 2HD LYS 19 HD2 LYS 19 -20.464 6.621 -1.989 172 1HE LYS 19 HE1 LYS 19 -19.473 7.745 -3.685 173 2HE LYS 19 HE2 LYS 19 -17.925 7.266 -3.007 174 1HZ LYS 19 HZ1 LYS 19 -18.749 9.402 -1.494 175 2HZ LYS 19 HZ2 LYS 19 -19.130 9.830 -3.093 176 3HZ LYS 19 HZ3 LYS 19 -17.538 9.401 -2.685 177 H HIS 20 HN HIS 20 -18.236 1.995 -2.733 178 HA HIS 20 HA HIS 20 -20.470 0.684 -1.584 179 1HB HIS 20 HB1 HIS 20 -18.294 -0.407 -3.420 180 2HB HIS 20 HB2 HIS 20 -19.801 0.333 -3.951 181 HD1 HIS 20 HD1 HIS 20 -21.671 -1.325 -4.140 182 HD2 HIS 20 HD2 HIS 20 -18.633 -2.839 -1.892 183 HE1 HIS 20 HE1 HIS 20 -22.353 -3.613 -3.594 184 H ILE 21 HN ILE 21 -17.016 -0.207 -1.474 185 HA ILE 21 HA ILE 21 -17.425 -2.512 0.138 186 HB ILE 21 HB ILE 21 -15.240 -1.510 -1.098 187 1HG1 ILE 21 HG11 ILE 21 -15.288 -3.217 1.416 188 2HG1 ILE 21 HG12 ILE 21 -13.859 -3.026 0.409 189 1HG2 ILE 21 HG21 ILE 21 -15.188 0.355 0.728 190 2HG2 ILE 21 HG22 ILE 21 -13.682 -0.479 0.426 191 3HG2 ILE 21 HG23 ILE 21 -14.651 -0.891 1.836 192 1HD1 ILE 21 HD1 ILE 21 -16.044 -3.654 -1.332 193 2HD1 ILE 21 HD2 ILE 21 -16.091 -4.793 0.009 194 3HD1 ILE 21 HD3 ILE 21 -14.634 -4.639 -0.967 195 NH1 ARG 22 NH1 ARG 22 -13.880 3.807 6.233 196 NH2 ARG 22 NH2 ARG 22 -13.687 5.765 5.070 197 H ARG 22 HN ARG 22 -17.203 0.888 0.953 198 HA ARG 22 HA ARG 22 -16.956 0.391 3.823 199 1HB ARG 22 HB1 ARG 22 -17.716 2.903 3.857 200 2HB ARG 22 HB2 ARG 22 -17.630 2.820 2.103 201 1HG ARG 22 HG1 ARG 22 -15.280 2.254 2.172 202 2HG ARG 22 HG2 ARG 22 -15.324 2.042 3.916 203 1HD ARG 22 HD1 ARG 22 -16.175 4.685 2.774 204 2HD ARG 22 HD2 ARG 22 -14.453 4.323 2.876 205 HE ARG 22 HE ARG 22 -16.296 4.422 5.227 206 1HH1 ARG 22 HH11 ARG 22 -14.396 2.973 6.427 207 2HH1 ARG 22 HH12 ARG 22 -13.022 3.987 6.716 208 1HH2 ARG 22 HH21 ARG 22 -14.058 6.397 4.391 209 2HH2 ARG 22 HH22 ARG 22 -12.826 5.978 5.533 210 H THR 23 HN THR 23 -19.527 0.277 1.582 211 HA THR 23 HA THR 23 -21.607 1.033 3.458 212 HB THR 23 HB THR 23 -21.913 -0.740 0.954 213 HG1 THR 23 HG1 THR 23 -22.019 1.249 -0.105 214 1HG2 THR 23 HG21 THR 23 -23.749 0.888 2.727 215 2HG2 THR 23 HG22 THR 23 -24.146 -0.476 1.692 216 3HG2 THR 23 HG23 THR 23 -23.967 1.127 0.996 217 H HIS 24 HN HIS 24 -19.688 -1.754 3.067 218 HA HIS 24 HA HIS 24 -21.692 -3.617 4.158 219 1HB HIS 24 HB1 HIS 24 -19.498 -5.077 4.370 220 2HB HIS 24 HB2 HIS 24 -18.735 -3.784 3.452 221 HD1 HIS 24 HD1 HIS 24 -21.610 -6.163 3.055 222 HD2 HIS 24 HD2 HIS 24 -19.131 -3.902 0.741 223 HE1 HIS 24 HE1 HIS 24 -22.086 -6.825 0.718 224 H THR 25 HN THR 25 -20.238 -1.118 5.536 225 HA THR 25 HA THR 25 -19.365 -2.517 7.999 226 HB THR 25 HB THR 25 -18.722 -0.087 8.629 227 HG1 THR 25 HG1 THR 25 -18.841 1.154 6.526 228 1HG2 THR 25 HG21 THR 25 -17.718 -1.589 6.237 229 2HG2 THR 25 HG22 THR 25 -16.791 -0.925 7.579 230 3HG2 THR 25 HG23 THR 25 -17.314 0.125 6.265 231 H ASP 26 HN ASP 26 -20.570 0.607 8.362 232 HA ASP 26 HA ASP 26 -23.295 -0.148 9.060 233 1HB ASP 26 HB1 ASP 26 -23.022 0.522 11.478 234 2HB ASP 26 HB2 ASP 26 -21.288 0.694 11.217 235 H VAL 27 HN VAL 27 -21.815 1.648 7.373 236 HA VAL 27 HA VAL 27 -22.423 4.306 8.536 237 HB VAL 27 HB VAL 27 -20.243 3.984 7.425 238 1HG1 VAL 27 HG11 VAL 27 -21.860 3.296 4.956 239 2HG1 VAL 27 HG12 VAL 27 -20.952 2.145 5.923 240 3HG1 VAL 27 HG13 VAL 27 -20.106 3.409 5.043 241 1HG2 VAL 27 HG21 VAL 27 -21.464 5.578 5.286 242 2HG2 VAL 27 HG22 VAL 27 -20.302 6.065 6.516 243 3HG2 VAL 27 HG23 VAL 27 -22.023 6.048 6.889 244 NH1 ARG 28 NH1 ARG 28 -26.780 -2.041 6.859 245 NH2 ARG 28 NH2 ARG 28 -24.608 -2.372 7.489 246 H ARG 28 HN ARG 28 -24.666 2.816 8.034 247 HA ARG 28 HA ARG 28 -25.852 4.084 5.604 248 1HB ARG 28 HB1 ARG 28 -27.576 2.188 5.926 249 2HB ARG 28 HB2 ARG 28 -26.457 1.514 7.105 250 1HG ARG 28 HG1 ARG 28 -24.691 1.799 5.175 251 2HG ARG 28 HG2 ARG 28 -26.108 1.832 4.136 252 1HD ARG 28 HD1 ARG 28 -25.296 -0.477 4.351 253 2HD ARG 28 HD2 ARG 28 -26.864 -0.324 5.143 254 HE ARG 28 HE ARG 28 -24.592 0.105 6.938 255 1HH1 ARG 28 HH11 ARG 28 -27.467 -1.454 6.432 256 2HH1 ARG 28 HH12 ARG 28 -27.042 -2.934 7.223 257 1HH2 ARG 28 HH21 ARG 28 -23.669 -2.033 7.533 258 2HH2 ARG 28 HH22 ARG 28 -24.834 -3.271 7.864 259 HA PRO 29 HA PRO 29 -27.816 6.086 9.314 260 1HB PRO 29 HB1 PRO 29 -27.272 8.290 8.993 261 2HB PRO 29 HB2 PRO 29 -28.376 8.383 7.622 262 1HG PRO 29 HG1 PRO 29 -25.468 8.259 7.578 263 2HG PRO 29 HG2 PRO 29 -26.568 8.457 6.212 264 1HD PRO 29 HD1 PRO 29 -26.263 6.292 5.597 265 2HD PRO 29 HD2 PRO 29 -25.056 6.124 6.881 266 OH TYR 30 OH TYR 30 -29.404 10.586 2.863 267 H TYR 30 HN TYR 30 -28.912 5.425 6.101 268 HA TYR 30 HA TYR 30 -31.681 6.252 6.696 269 1HB TYR 30 HB1 TYR 30 -32.129 5.315 4.398 270 2HB TYR 30 HB2 TYR 30 -30.475 4.727 4.331 271 HD1 TYR 30 HD1 TYR 30 -32.342 7.907 5.026 272 HD2 TYR 30 HD2 TYR 30 -28.875 6.119 3.331 273 HE1 TYR 30 HE1 TYR 30 -31.603 10.098 4.210 274 HE2 TYR 30 HE2 TYR 30 -28.135 8.307 2.527 275 HH TYR 30 HH TYR 30 -30.185 11.098 2.640 276 H HIS 31 HN HIS 31 -32.253 4.937 8.453 277 HA HIS 31 HA HIS 31 -32.293 1.988 7.964 278 1HB HIS 31 HB1 HIS 31 -32.906 1.964 10.470 279 2HB HIS 31 HB2 HIS 31 -32.618 3.701 10.470 280 HD1 HIS 31 HD1 HIS 31 -30.848 0.597 10.637 281 HD2 HIS 31 HD2 HIS 31 -29.880 4.436 9.761 282 HE1 HIS 31 HE1 HIS 31 -28.427 0.682 10.798 283 H CYS 32 HN CYS 32 -34.197 0.831 7.913 284 HA CYS 32 HA CYS 32 -36.602 2.251 7.241 285 1HB CYS 32 HB1 CYS 32 -35.968 -0.632 7.967 286 2HB CYS 32 HB2 CYS 32 -36.375 0.016 6.398 287 H THR 33 HN THR 33 -38.558 2.412 8.429 288 HA THR 33 HA THR 33 -38.091 2.807 11.295 289 HB THR 33 HB THR 33 -40.719 3.091 9.711 290 HG1 THR 33 HG1 THR 33 -38.916 4.267 8.876 291 1HG2 THR 33 HG21 THR 33 -41.125 3.359 12.125 292 2HG2 THR 33 HG22 THR 33 -40.947 4.991 11.492 293 3HG2 THR 33 HG23 THR 33 -39.608 4.227 12.340 294 OH TYR 34 OH TYR 34 -44.756 2.236 9.566 295 H TYR 34 HN TYR 34 -38.372 0.090 9.792 296 HA TYR 34 HA TYR 34 -39.998 -1.155 11.953 297 1HB TYR 34 HB1 TYR 34 -41.105 -2.632 10.281 298 2HB TYR 34 HB2 TYR 34 -40.224 -1.843 8.978 299 HD1 TYR 34 HD2 TYR 34 -40.668 0.602 8.507 300 HD2 TYR 34 HD1 TYR 34 -43.084 -1.642 11.195 301 HE1 TYR 34 HE2 TYR 34 -42.437 2.293 8.330 302 HE2 TYR 34 HE1 TYR 34 -44.852 0.048 11.015 303 HH TYR 34 HH TYR 34 -45.602 1.786 9.613 304 H CYS 35 HN CYS 35 -38.209 -2.084 9.031 305 HA CYS 35 HA CYS 35 -37.145 -4.480 10.256 306 1HB CYS 35 HB1 CYS 35 -35.862 -4.678 8.198 307 2HB CYS 35 HB2 CYS 35 -36.065 -2.987 7.843 308 H ASN 36 HN ASN 36 -34.656 -4.779 9.904 309 HA ASN 36 HA ASN 36 -33.334 -2.602 11.465 310 1HB ASN 36 HB1 ASN 36 -32.569 -5.551 11.128 311 2HB ASN 36 HB2 ASN 36 -33.408 -4.889 12.528 312 1HD2 ASN 36 HD21 ASN 36 -30.318 -5.528 11.220 313 2HD2 ASN 36 HD22 ASN 36 -29.400 -4.610 12.314 314 H PHE 37 HN PHE 37 -33.737 -3.383 8.424 315 HA PHE 37 HA PHE 37 -30.938 -3.467 7.537 316 1HB PHE 37 HB1 PHE 37 -33.249 -2.914 5.676 317 2HB PHE 37 HB2 PHE 37 -33.167 -4.502 6.438 318 HD1 PHE 37 HD2 PHE 37 -30.972 -5.826 6.207 319 HD2 PHE 37 HD1 PHE 37 -31.848 -2.397 3.840 320 HE1 PHE 37 HE2 PHE 37 -29.264 -6.511 4.580 321 HE2 PHE 37 HE1 PHE 37 -30.141 -3.088 2.213 322 HZ PHE 37 HZ PHE 37 -28.848 -5.143 2.583 323 H SER 38 HN SER 38 -30.020 -1.850 6.170 324 HA SER 38 HA SER 38 -31.382 0.774 6.194 325 1HB SER 38 HB1 SER 38 -28.510 0.443 7.175 326 2HB SER 38 HB2 SER 38 -29.890 0.520 8.277 327 HG SER 38 HG1 SER 38 -29.534 2.400 6.205 328 H PHE 39 HN PHE 39 -30.111 2.397 4.918 329 HA PHE 39 HA PHE 39 -28.521 1.079 2.762 330 1HB PHE 39 HB1 PHE 39 -29.842 2.204 1.096 331 2HB PHE 39 HB2 PHE 39 -30.573 3.270 2.293 332 HD1 PHE 39 HD2 PHE 39 -32.178 2.311 3.978 333 HD2 PHE 39 HD1 PHE 39 -30.742 -0.002 0.702 334 HE1 PHE 39 HE2 PHE 39 -33.965 0.671 4.351 335 HE2 PHE 39 HE1 PHE 39 -32.544 -1.631 1.071 336 HZ PHE 39 HZ PHE 39 -34.153 -1.297 2.898 337 H LYS 40 HN LYS 40 -27.110 2.478 1.623 338 HA LYS 40 HA LYS 40 -26.013 4.598 3.328 339 1HB LYS 40 HB1 LYS 40 -25.200 3.384 0.642 340 2HB LYS 40 HB2 LYS 40 -24.477 3.051 2.202 341 1HG LYS 40 HG1 LYS 40 -24.354 5.693 0.705 342 2HG LYS 40 HG2 LYS 40 -23.027 4.573 0.962 343 1HD LYS 40 HD1 LYS 40 -23.554 4.865 3.489 344 2HD LYS 40 HD2 LYS 40 -24.419 6.309 2.994 345 1HE LYS 40 HE1 LYS 40 -22.179 7.007 3.497 346 2HE LYS 40 HE2 LYS 40 -22.314 7.002 1.744 347 1HZ LYS 40 HZ1 LYS 40 -20.726 5.326 3.479 348 2HZ LYS 40 HZ2 LYS 40 -20.460 5.791 1.866 349 3HZ LYS 40 HZ3 LYS 40 -21.508 4.502 2.216 350 H THR 41 HN THR 41 -28.251 4.377 0.800 351 HA THR 41 HA THR 41 -28.034 7.326 0.360 352 HB THR 41 HB THR 41 -28.347 7.021 -2.015 353 HG1 THR 41 HG1 THR 41 -29.968 5.633 -2.178 354 1HG2 THR 41 HG21 THR 41 -26.646 5.407 -2.677 355 2HG2 THR 41 HG22 THR 41 -26.988 4.370 -1.295 356 3HG2 THR 41 HG23 THR 41 -26.133 5.892 -1.064 357 H LYS 42 HN LYS 42 -29.966 8.382 -0.232 358 HA LYS 42 HA LYS 42 -32.257 7.365 1.195 359 1HB LYS 42 HB1 LYS 42 -31.868 9.814 -0.586 360 2HB LYS 42 HB2 LYS 42 -31.755 9.785 1.169 361 1HG LYS 42 HG1 LYS 42 -34.177 8.908 1.146 362 2HG LYS 42 HG2 LYS 42 -34.215 9.389 -0.546 363 1HD LYS 42 HD1 LYS 42 -33.584 11.210 1.803 364 2HD LYS 42 HD2 LYS 42 -35.082 11.205 0.881 365 1HE LYS 42 HE1 LYS 42 -33.398 11.504 -1.171 366 2HE LYS 42 HE2 LYS 42 -32.366 12.181 0.082 367 1HZ LYS 42 HZ1 LYS 42 -34.212 13.566 -1.254 368 2HZ LYS 42 HZ2 LYS 42 -33.652 13.977 0.295 369 3HZ LYS 42 HZ3 LYS 42 -35.102 13.111 0.119 370 H GLY 43 HN GLY 43 -31.103 7.149 -2.003 371 1HA GLY 43 HA1 GLY 43 -32.071 6.261 -3.955 372 2HA GLY 43 HA2 GLY 43 -33.590 6.979 -3.422 373 H ASN 44 HN ASN 44 -31.428 4.314 -2.493 374 HA ASN 44 HA ASN 44 -33.221 2.221 -2.943 375 1HB ASN 44 HB1 ASN 44 -31.835 1.057 -1.072 376 2HB ASN 44 HB2 ASN 44 -30.979 2.587 -0.913 377 1HD2 ASN 44 HD21 ASN 44 -32.200 1.124 -3.945 378 2HD2 ASN 44 HD22 ASN 44 -30.671 0.957 -4.663 379 H LEU 45 HN LEU 45 -32.807 4.237 -0.077 380 HA LEU 45 HA LEU 45 -34.464 2.868 1.716 381 1HB LEU 45 HB1 LEU 45 -34.105 5.882 1.276 382 2HB LEU 45 HB2 LEU 45 -33.159 4.873 2.348 383 HG LEU 45 HG LEU 45 -34.695 5.978 3.788 384 1HD1 LEU 45 HD11 LEU 45 -36.307 6.341 1.578 385 2HD1 LEU 45 HD12 LEU 45 -36.781 6.706 3.228 386 3HD1 LEU 45 HD13 LEU 45 -37.239 5.176 2.500 387 1HD2 LEU 45 HD21 LEU 45 -36.113 3.354 3.243 388 2HD2 LEU 45 HD22 LEU 45 -35.925 4.190 4.778 389 3HD2 LEU 45 HD23 LEU 45 -34.532 3.437 4.010 390 H THR 46 HN THR 46 -35.397 5.392 -0.615 391 HA THR 46 HA THR 46 -38.191 5.292 -0.051 392 HB THR 46 HB THR 46 -36.859 5.924 -2.757 393 HG1 THR 46 HG1 THR 46 -36.698 7.009 -0.283 394 1HG2 THR 46 HG21 THR 46 -39.540 5.869 -2.242 395 2HG2 THR 46 HG22 THR 46 -38.838 7.165 -3.206 396 3HG2 THR 46 HG23 THR 46 -39.172 7.422 -1.497 397 H LYS 47 HN LYS 47 -36.125 3.385 -2.133 398 HA LYS 47 HA LYS 47 -38.180 2.071 -3.622 399 1HB LYS 47 HB1 LYS 47 -35.610 0.683 -2.810 400 2HB LYS 47 HB2 LYS 47 -35.530 2.091 -3.865 401 1HG LYS 47 HG1 LYS 47 -37.549 0.024 -4.578 402 2HG LYS 47 HG2 LYS 47 -35.862 -0.420 -4.811 403 1HD LYS 47 HD1 LYS 47 -35.494 1.597 -6.166 404 2HD LYS 47 HD2 LYS 47 -37.155 2.108 -5.888 405 1HE LYS 47 HE1 LYS 47 -38.031 0.498 -7.301 406 2HE LYS 47 HE2 LYS 47 -36.724 -0.637 -6.990 407 1HZ LYS 47 HZ1 LYS 47 -35.678 0.068 -8.779 408 2HZ LYS 47 HZ2 LYS 47 -35.706 1.676 -8.235 409 3HZ LYS 47 HZ3 LYS 47 -37.001 1.065 -9.148 410 H HIS 48 HN HIS 48 -36.735 1.412 -0.476 411 HA HIS 48 HA HIS 48 -38.091 -1.158 -0.204 412 1HB HIS 48 HB1 HIS 48 -36.680 0.656 1.821 413 2HB HIS 48 HB2 HIS 48 -35.991 -0.753 1.023 414 HD1 HIS 48 HD1 HIS 48 -37.581 -2.976 1.573 415 HD2 HIS 48 HD2 HIS 48 -37.680 0.057 4.314 416 HE1 HIS 48 HE1 HIS 48 -38.406 -3.992 3.641 417 H MET 49 HN MET 49 -38.606 2.132 1.021 418 HA MET 49 HA MET 49 -40.877 1.457 2.647 419 1HB MET 49 HB1 MET 49 -41.374 4.016 2.222 420 2HB MET 49 HB2 MET 49 -39.824 4.013 1.388 421 1HG MET 49 HG1 MET 49 -39.272 4.587 3.593 422 2HG MET 49 HG2 MET 49 -38.875 2.894 3.475 423 1HE MET 49 HE1 MET 49 -38.620 2.865 6.147 424 2HE MET 49 HE2 MET 49 -39.816 3.644 7.182 425 3HE MET 49 HE3 MET 49 -38.943 4.590 5.976 426 H LYS 50 HN LYS 50 -40.503 2.290 -0.736 427 HA LYS 50 HA LYS 50 -43.227 2.814 -1.351 428 1HB LYS 50 HB1 LYS 50 -41.238 1.356 -3.148 429 2HB LYS 50 HB2 LYS 50 -41.153 3.090 -2.860 430 1HG LYS 50 HG1 LYS 50 -43.536 3.272 -3.656 431 2HG LYS 50 HG2 LYS 50 -43.473 1.566 -4.087 432 1HD LYS 50 HD1 LYS 50 -41.516 2.041 -5.561 433 2HD LYS 50 HD2 LYS 50 -41.667 3.752 -5.175 434 1HE LYS 50 HE1 LYS 50 -44.014 3.693 -6.055 435 2HE LYS 50 HE2 LYS 50 -43.753 2.024 -6.544 436 1HZ LYS 50 HZ1 LYS 50 -43.040 2.899 -8.440 437 2HZ LYS 50 HZ2 LYS 50 -41.623 3.308 -7.599 438 3HZ LYS 50 HZ3 LYS 50 -42.864 4.454 -7.780 439 H SER 51 HN SER 51 -41.413 -0.222 -1.245 440 HA SER 51 HA SER 51 -43.334 -1.965 -2.302 441 1HB SER 51 HB1 SER 51 -42.242 -3.703 -0.829 442 2HB SER 51 HB2 SER 51 -41.431 -2.401 0.065 443 HG SER 51 HG1 SER 51 -40.057 -2.947 -1.572 444 H LYS 52 HN LYS 52 -45.070 -3.089 -1.469 445 HA LYS 52 HA LYS 52 -46.584 -1.726 0.582 446 1HB LYS 52 HB1 LYS 52 -47.219 -4.550 -0.283 447 2HB LYS 52 HB2 LYS 52 -47.323 -3.269 -1.486 448 1HG LYS 52 HG1 LYS 52 -48.904 -2.032 -0.109 449 2HG LYS 52 HG2 LYS 52 -48.709 -3.177 1.213 450 1HD LYS 52 HD1 LYS 52 -49.607 -4.985 -0.232 451 2HD LYS 52 HD2 LYS 52 -49.825 -3.825 -1.538 452 1HE LYS 52 HE1 LYS 52 -51.465 -2.592 -0.292 453 2HE LYS 52 HE2 LYS 52 -51.082 -3.455 1.193 454 1HZ LYS 52 HZ1 LYS 52 -52.013 -4.953 -1.155 455 2HZ LYS 52 HZ2 LYS 52 -53.139 -4.123 -0.191 456 3HZ LYS 52 HZ3 LYS 52 -52.162 -5.332 0.494 457 H ALA 53 HN ALA 53 -43.922 -3.289 1.105 458 HA ALA 53 HA ALA 53 -44.293 -5.453 2.800 459 1HB ALA 53 HB1 ALA 53 -42.054 -4.548 2.281 460 2HB ALA 53 HB2 ALA 53 -42.250 -4.588 4.030 461 3HB ALA 53 HB3 ALA 53 -42.415 -3.066 3.160 462 H HIS 54 HN HIS 54 -43.642 -2.332 4.331 463 HA HIS 54 HA HIS 54 -46.085 -2.615 5.954 464 1HB HIS 54 HB1 HIS 54 -44.744 -3.751 7.472 465 2HB HIS 54 HB2 HIS 54 -44.361 -2.110 7.973 466 HD1 HIS 54 HD1 HIS 54 -42.860 -5.029 6.421 467 HD2 HIS 54 HD2 HIS 54 -41.779 -1.126 7.003 468 HE1 HIS 54 HE1 HIS 54 -40.437 -4.962 6.080 469 H SER 55 HN SER 55 -46.729 -0.695 4.972 470 HA SER 55 HA SER 55 -45.756 1.694 6.350 471 1HB SER 55 HB1 SER 55 -45.620 1.595 3.288 472 2HB SER 55 HB2 SER 55 -44.197 1.413 4.332 473 HG SER 55 HG1 SER 55 -44.871 3.640 3.623 474 H LYS 56 HN LYS 56 -48.096 1.066 6.896 475 HA LYS 56 HA LYS 56 -50.042 1.950 4.854 476 1HB LYS 56 HB1 LYS 56 -51.715 1.309 6.644 477 2HB LYS 56 HB2 LYS 56 -50.380 0.940 7.723 478 1HG LYS 56 HG1 LYS 56 -50.322 -0.349 5.023 479 2HG LYS 56 HG2 LYS 56 -51.542 -0.933 6.145 480 1HD LYS 56 HD1 LYS 56 -48.753 -0.600 7.190 481 2HD LYS 56 HD2 LYS 56 -49.065 -1.953 6.110 482 1HE LYS 56 HE1 LYS 56 -49.422 -2.583 8.488 483 2HE LYS 56 HE2 LYS 56 -50.902 -2.719 7.549 484 1HZ LYS 56 HZ1 LYS 56 -51.054 -1.588 9.783 485 2HZ LYS 56 HZ2 LYS 56 -51.753 -0.773 8.467 486 3HZ LYS 56 HZ3 LYS 56 -50.245 -0.276 9.070 487 H LYS 57 HN LYS 57 -51.022 2.612 8.011 488 HA LYS 57 HA LYS 57 -51.594 5.318 7.535 489 1HB LYS 57 HB1 LYS 57 -52.246 5.375 9.808 490 2HB LYS 57 HB2 LYS 57 -50.915 4.342 10.316 491 1HG LYS 57 HG1 LYS 57 -51.981 2.387 9.591 492 2HG LYS 57 HG2 LYS 57 -52.993 3.248 8.439 493 1HD LYS 57 HD1 LYS 57 -54.513 3.920 10.063 494 2HD LYS 57 HD2 LYS 57 -53.312 3.885 11.348 495 1HE LYS 57 HE1 LYS 57 -55.120 1.989 11.261 496 2HE LYS 57 HE2 LYS 57 -53.449 1.550 11.588 497 1HZ LYS 57 HZ1 LYS 57 -53.179 0.642 9.537 498 2HZ LYS 57 HZ2 LYS 57 -54.347 1.633 8.804 499 3HZ LYS 57 LYS 57 -54.831 0.322 9.769 Start of MODEL 54 Raw file had 499 H/Q atoms Start of MODEL 54 1 1H LYS 1 HT1 LYS 1 -7.473 -3.295 -7.122 2 2H LYS 1 HT2 LYS 1 -6.482 -3.363 -8.499 3 3H LYS 1 HT3 LYS 1 -6.932 -4.795 -7.706 4 HA LYS 1 HA LYS 1 -8.277 -3.362 -9.746 5 1HB LYS 1 HB1 LYS 1 -9.580 -5.476 -9.836 6 2HB LYS 1 HB2 LYS 1 -8.950 -5.954 -8.264 7 1HG LYS 1 HG1 LYS 1 -6.628 -5.852 -9.240 8 2HG LYS 1 HG2 LYS 1 -7.354 -5.562 -10.817 9 1HD LYS 1 HD1 LYS 1 -8.576 -7.695 -10.665 10 2HD LYS 1 HD2 LYS 1 -7.905 -7.980 -9.063 11 1HE LYS 1 HE1 LYS 1 -5.662 -8.131 -9.947 12 2HE LYS 1 HE2 LYS 1 -6.191 -7.577 -11.531 13 1HZ LYS 1 HZ1 LYS 1 -6.138 -9.804 -11.871 14 2HZ LYS 1 HZ2 LYS 1 -7.741 -9.657 -11.330 15 3HZ LYS 1 HZ3 LYS 1 -6.531 -10.190 -10.265 16 OH TYR 2 OH TYR 2 -6.824 2.687 -7.446 17 H TYR 2 HN TYR 2 -9.868 -1.961 -9.505 18 HA TYR 2 HA TYR 2 -11.282 -1.724 -6.945 19 1HB TYR 2 HB1 TYR 2 -12.382 0.200 -8.043 20 2HB TYR 2 HB2 TYR 2 -11.728 -0.285 -9.603 21 HD1 TYR 2 HD2 TYR 2 -10.804 0.909 -6.218 22 HD2 TYR 2 HD1 TYR 2 -9.468 0.253 -10.199 23 HE1 TYR 2 HE2 TYR 2 -8.781 2.217 -5.755 24 HE2 TYR 2 HE1 TYR 2 -7.435 1.540 -9.731 25 HH TYR 2 HH TYR 2 -6.160 2.081 -7.108 26 H ILE 3 HN ILE 3 -12.021 -4.088 -7.435 27 HA ILE 3 HA ILE 3 -14.737 -3.890 -8.672 28 HB ILE 3 HB ILE 3 -12.949 -6.363 -8.758 29 1HG1 ILE 3 HG11 ILE 3 -11.838 -4.577 -10.014 30 2HG1 ILE 3 HG12 ILE 3 -13.333 -4.207 -10.866 31 1HG2 ILE 3 HG21 ILE 3 -15.264 -5.573 -10.581 32 2HG2 ILE 3 HG22 ILE 3 -15.551 -6.408 -9.058 33 3HG2 ILE 3 HG23 ILE 3 -14.595 -7.180 -10.319 34 1HD1 ILE 3 HD1 ILE 3 -12.240 -7.011 -10.938 35 2HD1 ILE 3 HD2 ILE 3 -11.562 -5.786 -12.006 36 3HD1 ILE 3 HD3 ILE 3 -13.271 -6.196 -12.109 37 H CYS 4 HN CYS 4 -16.083 -4.000 -6.940 38 HA CYS 4 HA CYS 4 -15.455 -5.181 -4.462 39 1HB CYS 4 HB1 CYS 4 -18.077 -4.656 -5.852 40 2HB CYS 4 HB2 CYS 4 -17.365 -3.762 -4.540 41 H GLU 5 HN GLU 5 -15.146 -7.187 -3.908 42 HA GLU 5 HA GLU 5 -15.619 -9.367 -5.711 43 1HB GLU 5 HB1 GLU 5 -14.637 -10.738 -3.977 44 2HB GLU 5 HB2 GLU 5 -15.071 -9.580 -2.726 45 1HG GLU 5 HG1 GLU 5 -13.485 -7.955 -3.595 46 2HG GLU 5 HG2 GLU 5 -13.151 -8.969 -4.997 47 H GLU 6 HN GLU 6 -17.660 -7.779 -3.531 48 HA GLU 6 HA GLU 6 -19.286 -10.160 -3.022 49 1HB GLU 6 HB1 GLU 6 -20.033 -7.320 -2.263 50 2HB GLU 6 HB2 GLU 6 -18.801 -8.185 -1.356 51 1HG GLU 6 HG1 GLU 6 -20.953 -8.535 -0.265 52 2HG GLU 6 HG2 GLU 6 -20.454 -10.053 -1.004 53 H CYS 7 HN CYS 7 -20.212 -6.885 -4.046 54 HA CYS 7 HA CYS 7 -22.507 -7.917 -5.485 55 1HB CYS 7 HB1 CYS 7 -22.995 -5.652 -5.971 56 2HB CYS 7 HB2 CYS 7 -21.322 -5.183 -5.928 57 H GLY 8 HN GLY 8 -19.337 -6.640 -6.390 58 1HA GLY 8 HA1 GLY 8 -19.729 -7.834 -9.092 59 2HA GLY 8 HA2 GLY 8 -18.170 -7.486 -8.357 60 H ILE 9 HN ILE 9 -19.523 -4.835 -7.448 61 HA ILE 9 HA ILE 9 -20.096 -3.346 -9.800 62 HB ILE 9 HB ILE 9 -20.395 -2.779 -7.201 63 1HG1 ILE 9 HG11 ILE 9 -19.971 -0.976 -9.555 64 2HG1 ILE 9 HG12 ILE 9 -20.165 -0.242 -7.968 65 1HG2 ILE 9 HG21 ILE 9 -17.764 -2.692 -7.032 66 2HG2 ILE 9 HG22 ILE 9 -18.661 -1.385 -6.282 67 3HG2 ILE 9 HG23 ILE 9 -17.900 -1.141 -7.849 68 1HD1 ILE 9 HD1 ILE 9 -22.335 -0.565 -9.219 69 2HD1 ILE 9 HD2 ILE 9 -22.297 -1.348 -7.643 70 3HD1 ILE 9 HD3 ILE 9 -22.077 -2.303 -9.105 71 NH1 ARG 10 NH2 ARG 10 -15.464 -3.818 -17.378 72 NH2 ARG 10 NH1 ARG 10 -15.720 -1.561 -17.637 73 H ARG 10 HN ARG 10 -18.825 -1.994 -11.054 74 HA ARG 10 HA ARG 10 -15.879 -2.402 -10.751 75 1HB ARG 10 HB1 ARG 10 -17.328 -1.792 -13.350 76 2HB ARG 10 HB2 ARG 10 -17.176 -3.443 -12.767 77 1HG ARG 10 HG1 ARG 10 -14.654 -3.019 -12.601 78 2HG ARG 10 HG2 ARG 10 -14.937 -1.524 -13.484 79 1HD ARG 10 HD1 ARG 10 -15.790 -4.265 -14.471 80 2HD ARG 10 HD2 ARG 10 -14.303 -3.459 -14.964 81 HE ARG 10 HE ARG 10 -16.812 -1.944 -15.367 82 1HH1 ARG 10 HH21 ARG 10 -15.498 -4.620 -16.783 83 2HH1 ARG 10 HH22 ARG 10 -15.214 -3.919 -18.341 84 1HH2 ARG 10 HH11 ARG 10 -15.944 -0.674 -17.236 85 2HH2 ARG 10 HH12 ARG 10 -15.473 -1.625 -18.603 86 H ABA 11 HN ABU 11 -15.291 -0.560 -9.744 87 HA ABA 11 HA ABU 11 -15.987 2.014 -11.118 88 1HB ABA 11 HB1 ABU 11 -15.418 2.931 -8.712 89 2HB ABA 11 HB2 ABU 11 -15.675 1.279 -8.198 90 1HG ABA 11 HG1 ABU 11 -17.915 1.330 -9.336 91 2HG ABA 11 HG2 ABU 11 -17.665 3.046 -9.632 92 3HG ABA 11 HG3 ABU 11 -17.782 2.446 -7.981 93 H LYS 12 HN LYS 12 -14.153 1.915 -12.434 94 HA LYS 12 HA LYS 12 -11.526 1.342 -11.743 95 1HB LYS 12 HB1 LYS 12 -10.887 2.808 -13.625 96 2HB LYS 12 HB2 LYS 12 -12.442 3.624 -13.549 97 1HG LYS 12 HG1 LYS 12 -13.597 1.530 -14.115 98 2HG LYS 12 HG2 LYS 12 -12.063 0.667 -14.124 99 1HD LYS 12 HD1 LYS 12 -11.267 1.951 -16.010 100 2HD LYS 12 HD2 LYS 12 -12.636 3.051 -15.909 101 1HE LYS 12 HE1 LYS 12 -12.922 1.349 -17.712 102 2HE LYS 12 HE2 LYS 12 -14.179 1.239 -16.486 103 1HZ LYS 12 HZ1 LYS 12 -13.062 -0.592 -15.478 104 2HZ LYS 12 HZ2 LYS 12 -11.731 -0.432 -16.521 105 3HZ LYS 12 HZ3 LYS 12 -13.236 -0.922 -17.135 106 H LYS 13 HN LYS 13 -13.372 4.145 -10.795 107 HA LYS 13 HA LYS 13 -10.928 5.563 -9.980 108 1HB LYS 13 HB1 LYS 13 -12.695 7.278 -9.152 109 2HB LYS 13 HB2 LYS 13 -13.888 6.232 -9.916 110 1HG LYS 13 HG1 LYS 13 -12.759 6.462 -12.076 111 2HG LYS 13 HG2 LYS 13 -11.476 7.410 -11.335 112 1HD LYS 13 HD1 LYS 13 -12.838 9.278 -11.050 113 2HD LYS 13 HD2 LYS 13 -14.313 8.321 -10.985 114 1HE LYS 13 HE1 LYS 13 -14.140 9.585 -13.117 115 2HE LYS 13 HE2 LYS 13 -14.135 7.848 -13.394 116 1HZ LYS 13 HZ1 LYS 13 -11.766 9.629 -13.335 117 2HZ LYS 13 HZ2 LYS 13 -12.439 8.881 -14.703 118 3HZ LYS 13 HZ3 LYS 13 -11.702 7.939 -13.497 119 HA PRO 14 HA PRO 14 -11.013 3.982 -5.806 120 1HB PRO 14 HB1 PRO 14 -9.078 4.970 -5.032 121 2HB PRO 14 HB2 PRO 14 -10.021 6.391 -4.578 122 1HG PRO 14 HG1 PRO 14 -8.072 6.253 -6.647 123 2HG PRO 14 HG2 PRO 14 -9.187 7.588 -6.347 124 1HD PRO 14 HD1 PRO 14 -10.208 7.073 -8.335 125 2HD PRO 14 HD2 PRO 14 -9.246 5.589 -8.479 126 H SER 15 HN SER 15 -11.619 7.496 -5.642 127 HA SER 15 HA SER 15 -13.294 7.675 -3.491 128 1HB SER 15 HB1 SER 15 -12.902 9.713 -4.706 129 2HB SER 15 HB2 SER 15 -14.623 9.414 -5.014 130 HG SER 15 HG1 SER 15 -14.170 8.955 -7.014 131 H MET 16 HN MET 16 -14.252 6.518 -6.693 132 HA MET 16 HA MET 16 -17.034 6.213 -5.984 133 1HB MET 16 HB1 MET 16 -16.900 4.614 -8.072 134 2HB MET 16 HB2 MET 16 -15.245 5.195 -8.214 135 1HG MET 16 HG1 MET 16 -16.680 6.581 -9.578 136 2HG MET 16 HG2 MET 16 -16.071 7.514 -8.239 137 1HE MET 16 HE1 MET 16 -20.199 7.192 -9.720 138 2HE MET 16 HE2 MET 16 -19.016 5.918 -10.020 139 3HE MET 16 HE3 MET 16 -18.652 7.583 -10.473 140 H LEU 17 HN LEU 17 -14.433 3.782 -6.457 141 HA LEU 17 HA LEU 17 -16.023 1.641 -5.392 142 1HB LEU 17 HB1 LEU 17 -12.975 1.811 -5.311 143 2HB LEU 17 HB2 LEU 17 -13.825 1.518 -6.806 144 HG LEU 17 HG LEU 17 -12.953 -0.579 -5.620 145 1HD1 LEU 17 HD11 LEU 17 -14.051 -1.421 -3.692 146 2HD1 LEU 17 HD12 LEU 17 -15.283 -0.174 -3.751 147 3HD1 LEU 17 HD13 LEU 17 -13.626 0.239 -3.314 148 1HD2 LEU 17 HD21 LEU 17 -14.892 -1.940 -6.100 149 2HD2 LEU 17 HD22 LEU 17 -14.820 -0.658 -7.297 150 3HD2 LEU 17 HD23 LEU 17 -15.967 -0.558 -5.969 151 H LYS 18 HN LYS 18 -13.274 3.396 -3.990 152 HA LYS 18 HA LYS 18 -13.130 2.513 -1.438 153 1HB LYS 18 HB1 LYS 18 -12.821 4.983 -0.740 154 2HB LYS 18 HB2 LYS 18 -13.263 5.409 -2.388 155 1HG LYS 18 HG1 LYS 18 -11.092 5.102 -2.942 156 2HG LYS 18 HG2 LYS 18 -11.346 3.381 -2.678 157 1HD LYS 18 HD1 LYS 18 -10.766 3.666 -0.286 158 2HD LYS 18 HD2 LYS 18 -10.509 5.386 -0.555 159 1HE LYS 18 HE1 LYS 18 -8.338 4.386 -0.684 160 2HE LYS 18 HE2 LYS 18 -8.808 4.711 -2.348 161 1HZ LYS 18 HZ1 LYS 18 -8.559 2.580 -2.787 162 2HZ LYS 18 HZ2 LYS 18 -9.772 2.187 -1.666 163 3HZ LYS 18 HZ3 LYS 18 -8.150 2.260 -1.170 164 H LYS 19 HN LYS 19 -15.629 4.800 -2.531 165 HA LYS 19 HA LYS 19 -16.939 4.841 0.019 166 1HB LYS 19 HB1 LYS 19 -18.123 5.419 -2.736 167 2HB LYS 19 HB2 LYS 19 -17.196 6.593 -1.810 168 1HG LYS 19 HG1 LYS 19 -18.836 6.403 0.048 169 2HG LYS 19 HG2 LYS 19 -19.772 5.259 -0.908 170 1HD LYS 19 HD1 LYS 19 -20.876 7.213 -1.480 171 2HD LYS 19 HD2 LYS 19 -19.628 7.219 -2.721 172 1HE LYS 19 HE1 LYS 19 -19.386 9.368 -1.851 173 2HE LYS 19 HE2 LYS 19 -18.225 8.484 -0.869 174 1HZ LYS 19 HZ1 LYS 19 -20.802 8.328 0.283 175 2HZ LYS 19 HZ2 LYS 19 -20.388 9.952 0.010 176 3HZ LYS 19 HZ3 LYS 19 -19.369 8.961 0.940 177 H HIS 20 HN HIS 20 -17.410 3.026 -2.969 178 HA HIS 20 HA HIS 20 -19.828 1.720 -2.282 179 1HB HIS 20 HB1 HIS 20 -17.466 0.673 -3.902 180 2HB HIS 20 HB2 HIS 20 -18.819 1.586 -4.563 181 HD1 HIS 20 HD1 HIS 20 -20.691 0.086 -5.273 182 HD2 HIS 20 HD2 HIS 20 -18.241 -1.834 -2.650 183 HE1 HIS 20 HE1 HIS 20 -21.587 -2.186 -5.089 184 H ILE 21 HN ILE 21 -16.461 0.628 -1.834 185 HA ILE 21 HA ILE 21 -17.215 -1.778 -0.508 186 HB ILE 21 HB ILE 21 -14.862 -0.926 -1.456 187 1HG1 ILE 21 HG11 ILE 21 -15.515 -2.858 0.745 188 2HG1 ILE 21 HG12 ILE 21 -13.825 -2.583 0.346 189 1HG2 ILE 21 HG21 ILE 21 -13.373 -0.091 0.237 190 2HG2 ILE 21 HG22 ILE 21 -14.461 -0.544 1.544 191 3HG2 ILE 21 HG23 ILE 21 -14.842 0.820 0.509 192 1HD1 ILE 21 HD1 ILE 21 -14.301 -3.125 -2.026 193 2HD1 ILE 21 HD2 ILE 21 -15.989 -3.411 -1.622 194 3HD1 ILE 21 HD3 ILE 21 -14.740 -4.463 -0.970 195 NH1 ARG 22 NH1 ARG 22 -15.505 7.126 3.718 196 NH2 ARG 22 NH2 ARG 22 -16.617 6.646 5.656 197 H ARG 22 HN ARG 22 -16.903 1.492 0.634 198 HA ARG 22 HA ARG 22 -16.815 0.760 3.452 199 1HB ARG 22 HB1 ARG 22 -17.628 3.265 3.634 200 2HB ARG 22 HB2 ARG 22 -17.370 3.312 1.894 201 1HG ARG 22 HG1 ARG 22 -15.031 2.556 2.229 202 2HG ARG 22 HG2 ARG 22 -15.293 2.528 3.967 203 1HD ARG 22 HD1 ARG 22 -15.821 5.033 2.361 204 2HD ARG 22 HD2 ARG 22 -14.204 4.660 2.957 205 HE ARG 22 HE ARG 22 -15.677 4.400 5.230 206 1HH1 ARG 22 HH11 ARG 22 -14.978 6.805 2.932 207 2HH1 ARG 22 HH12 ARG 22 -15.713 8.099 3.817 208 1HH2 ARG 22 HH21 ARG 22 -16.921 5.966 6.323 209 2HH2 ARG 22 HH22 ARG 22 -16.843 7.611 5.788 210 H THR 23 HN THR 23 -19.330 0.992 1.095 211 HA THR 23 HA THR 23 -21.429 1.470 3.046 212 HB THR 23 HB THR 23 -21.667 0.231 0.233 213 HG1 THR 23 HG1 THR 23 -20.856 2.163 -0.151 214 1HG2 THR 23 HG21 THR 23 -23.889 0.142 1.123 215 2HG2 THR 23 HG22 THR 23 -23.857 1.812 0.568 216 3HG2 THR 23 HG23 THR 23 -23.585 1.442 2.266 217 H HIS 24 HN HIS 24 -19.554 -1.251 2.289 218 HA HIS 24 HA HIS 24 -21.653 -3.208 2.982 219 1HB HIS 24 HB1 HIS 24 -19.517 -4.765 2.992 220 2HB HIS 24 HB2 HIS 24 -18.687 -3.368 2.313 221 HD1 HIS 24 HD1 HIS 24 -21.904 -5.161 1.491 222 HD2 HIS 24 HD2 HIS 24 -18.728 -3.444 -0.390 223 HE1 HIS 24 HE1 HIS 24 -22.307 -5.476 -0.928 224 H THR 25 HN THR 25 -20.138 -1.030 4.788 225 HA THR 25 HA THR 25 -19.381 -2.864 6.994 226 HB THR 25 HB THR 25 -18.750 -0.547 8.054 227 HG1 THR 25 HG1 THR 25 -18.621 0.746 5.826 228 1HG2 THR 25 HG21 THR 25 -16.905 -1.737 6.947 229 2HG2 THR 25 HG22 THR 25 -16.908 -0.111 6.272 230 3HG2 THR 25 HG23 THR 25 -17.613 -1.443 5.361 231 H ASP 26 HN ASP 26 -20.530 0.210 7.833 232 HA ASP 26 HA ASP 26 -23.273 -0.635 8.365 233 1HB ASP 26 HB1 ASP 26 -23.054 -0.345 10.842 234 2HB ASP 26 HB2 ASP 26 -21.328 -0.043 10.655 235 H VAL 27 HN VAL 27 -21.812 1.409 6.956 236 HA VAL 27 HA VAL 27 -22.469 3.859 8.488 237 HB VAL 27 HB VAL 27 -20.283 3.768 7.386 238 1HG1 VAL 27 HG11 VAL 27 -20.759 2.097 5.696 239 2HG1 VAL 27 HG12 VAL 27 -20.160 3.541 4.894 240 3HG1 VAL 27 HG13 VAL 27 -21.881 3.177 4.884 241 1HG2 VAL 27 HG21 VAL 27 -22.097 5.829 7.047 242 2HG2 VAL 27 HG22 VAL 27 -21.545 5.535 5.401 243 3HG2 VAL 27 HG23 VAL 27 -20.381 5.925 6.663 244 NH1 ARG 28 NH2 ARG 28 -26.321 -1.673 2.328 245 NH2 ARG 28 NH1 ARG 28 -24.717 -2.767 3.533 246 H ARG 28 HN ARG 28 -24.688 2.449 7.802 247 HA ARG 28 HA ARG 28 -25.902 3.996 5.549 248 1HB ARG 28 HB1 ARG 28 -27.611 2.053 5.650 249 2HB ARG 28 HB2 ARG 28 -26.473 1.247 6.725 250 1HG ARG 28 HG1 ARG 28 -24.849 2.053 4.643 251 2HG ARG 28 HG2 ARG 28 -26.341 1.624 3.817 252 1HD ARG 28 HD1 ARG 28 -26.337 -0.543 5.141 253 2HD ARG 28 HD2 ARG 28 -24.712 -0.124 5.681 254 HE ARG 28 HE ARG 28 -24.193 -0.024 3.130 255 1HH1 ARG 28 HH21 ARG 28 -26.752 -0.811 2.059 256 2HH1 ARG 28 HH22 ARG 28 -26.665 -2.539 1.964 257 1HH2 ARG 28 HH11 ARG 28 -23.945 -2.725 4.167 258 2HH2 ARG 28 HH12 ARG 28 -25.034 -3.651 3.190 259 HA PRO 29 HA PRO 29 -27.850 5.490 9.493 260 1HB PRO 29 HB1 PRO 29 -27.401 7.738 9.428 261 2HB PRO 29 HB2 PRO 29 -28.490 7.947 8.057 262 1HG PRO 29 HG1 PRO 29 -25.567 7.861 8.055 263 2HG PRO 29 HG2 PRO 29 -26.650 8.257 6.720 264 1HD PRO 29 HD1 PRO 29 -26.383 6.185 5.812 265 2HD PRO 29 HD2 PRO 29 -25.137 5.863 7.030 266 OH TYR 30 OH TYR 30 -29.858 10.726 3.120 267 H TYR 30 HN TYR 30 -29.019 5.654 6.161 268 HA TYR 30 HA TYR 30 -31.766 6.193 6.831 269 1HB TYR 30 HB1 TYR 30 -32.201 5.232 4.508 270 2HB TYR 30 HB2 TYR 30 -30.509 4.767 4.433 271 HD1 TYR 30 HD1 TYR 30 -32.574 7.792 5.244 272 HD2 TYR 30 HD2 TYR 30 -29.035 6.287 3.424 273 HE1 TYR 30 HE1 TYR 30 -31.993 10.054 4.499 274 HE2 TYR 30 HE2 TYR 30 -28.455 8.549 2.682 275 HH TYR 30 HH TYR 30 -28.901 10.809 3.139 276 H HIS 31 HN HIS 31 -31.850 4.715 8.720 277 HA HIS 31 HA HIS 31 -32.081 1.834 8.097 278 1HB HIS 31 HB1 HIS 31 -32.757 1.899 10.672 279 2HB HIS 31 HB2 HIS 31 -32.124 3.540 10.607 280 HD1 HIS 31 HD1 HIS 31 -31.015 0.118 10.694 281 HD2 HIS 31 HD2 HIS 31 -29.326 3.717 9.888 282 HE1 HIS 31 HE1 HIS 31 -28.621 -0.281 10.791 283 H CYS 32 HN CYS 32 -33.985 0.718 7.988 284 HA CYS 32 HA CYS 32 -36.396 2.163 7.482 285 1HB CYS 32 HB1 CYS 32 -35.727 -0.735 8.067 286 2HB CYS 32 HB2 CYS 32 -36.272 -0.033 6.565 287 H THR 33 HN THR 33 -38.122 2.650 8.786 288 HA THR 33 HA THR 33 -37.636 2.927 11.601 289 HB THR 33 HB THR 33 -40.245 3.057 9.968 290 HG1 THR 33 HG1 THR 33 -38.943 5.217 11.138 291 1HG2 THR 33 HG21 THR 33 -40.816 4.624 12.008 292 2HG2 THR 33 HG22 THR 33 -39.520 3.783 12.854 293 3HG2 THR 33 HG23 THR 33 -40.935 2.892 12.302 294 OH TYR 34 OH TYR 34 -44.563 2.384 9.122 295 H TYR 34 HN TYR 34 -38.956 0.387 9.684 296 HA TYR 34 HA TYR 34 -40.027 -0.993 12.082 297 1HB TYR 34 HB1 TYR 34 -41.108 -2.502 10.481 298 2HB TYR 34 HB2 TYR 34 -40.141 -1.867 9.156 299 HD1 TYR 34 HD2 TYR 34 -40.393 0.691 8.659 300 HD2 TYR 34 HD1 TYR 34 -43.207 -1.533 10.946 301 HE1 TYR 34 HE2 TYR 34 -42.086 2.412 8.248 302 HE2 TYR 34 HE1 TYR 34 -44.905 0.186 10.520 303 HH TYR 34 HH TYR 34 -45.426 1.967 9.162 304 H CYS 35 HN CYS 35 -38.404 -2.312 9.205 305 HA CYS 35 HA CYS 35 -37.180 -4.451 10.635 306 1HB CYS 35 HB1 CYS 35 -36.001 -3.195 8.151 307 2HB CYS 35 HB2 CYS 35 -35.965 -4.866 8.621 308 H ASN 36 HN ASN 36 -34.574 -4.428 9.747 309 HA ASN 36 HA ASN 36 -33.342 -2.247 11.384 310 1HB ASN 36 HB1 ASN 36 -32.786 -5.237 11.214 311 2HB ASN 36 HB2 ASN 36 -33.007 -4.251 12.658 312 1HD2 ASN 36 HD21 ASN 36 -31.196 -2.907 13.359 313 2HD2 ASN 36 HD22 ASN 36 -29.625 -3.173 12.776 314 H PHE 37 HN PHE 37 -33.661 -3.620 8.371 315 HA PHE 37 HA PHE 37 -30.965 -3.411 7.391 316 1HB PHE 37 HB1 PHE 37 -33.346 -2.953 5.595 317 2HB PHE 37 HB2 PHE 37 -33.201 -4.524 6.383 318 HD1 PHE 37 HD2 PHE 37 -30.674 -5.504 6.305 319 HD2 PHE 37 HD1 PHE 37 -32.314 -2.738 3.516 320 HE1 PHE 37 HE2 PHE 37 -28.988 -6.172 4.647 321 HE2 PHE 37 HE1 PHE 37 -30.627 -3.411 1.860 322 HZ PHE 37 HZ PHE 37 -28.964 -5.126 2.426 323 H SER 38 HN SER 38 -30.057 -1.779 6.105 324 HA SER 38 HA SER 38 -31.507 0.806 6.046 325 1HB SER 38 HB1 SER 38 -28.652 0.559 7.096 326 2HB SER 38 HB2 SER 38 -30.064 0.643 8.155 327 HG SER 38 HG1 SER 38 -30.009 2.710 7.808 328 H PHE 39 HN PHE 39 -30.197 2.466 4.856 329 HA PHE 39 HA PHE 39 -28.533 1.220 2.724 330 1HB PHE 39 HB1 PHE 39 -29.864 2.301 1.036 331 2HB PHE 39 HB2 PHE 39 -30.626 3.366 2.218 332 HD1 PHE 39 HD2 PHE 39 -32.271 2.425 3.859 333 HD2 PHE 39 HD1 PHE 39 -30.704 0.055 0.683 334 HE1 PHE 39 HE2 PHE 39 -34.036 0.756 4.229 335 HE2 PHE 39 HE1 PHE 39 -32.488 -1.596 1.042 336 HZ PHE 39 HZ PHE 39 -34.154 -1.246 2.815 337 H LYS 40 HN LYS 40 -27.334 2.888 1.478 338 HA LYS 40 HA LYS 40 -26.258 4.879 3.366 339 1HB LYS 40 HB1 LYS 40 -25.436 4.088 0.527 340 2HB LYS 40 HB2 LYS 40 -24.728 3.450 1.994 341 1HG LYS 40 HG1 LYS 40 -24.659 6.395 1.227 342 2HG LYS 40 HG2 LYS 40 -23.349 5.269 0.930 343 1HD LYS 40 HD1 LYS 40 -23.483 4.751 3.470 344 2HD LYS 40 HD2 LYS 40 -24.403 6.247 3.582 345 1HE LYS 40 HE1 LYS 40 -22.296 7.139 3.831 346 2HE LYS 40 HE2 LYS 40 -22.368 7.140 2.073 347 1HZ LYS 40 HZ1 LYS 40 -21.253 4.914 3.678 348 2HZ LYS 40 HZ2 LYS 40 -20.318 6.162 3.006 349 3HZ LYS 40 HZ3 LYS 40 -21.176 5.103 1.993 350 H THR 41 HN THR 41 -28.310 4.701 0.610 351 HA THR 41 HA THR 41 -28.372 7.691 0.483 352 HB THR 41 HB THR 41 -28.744 7.514 -1.905 353 HG1 THR 41 HG1 THR 41 -29.007 4.739 -1.759 354 1HG2 THR 41 HG21 THR 41 -27.175 4.932 -1.443 355 2HG2 THR 41 HG22 THR 41 -26.428 6.475 -1.046 356 3HG2 THR 41 HG23 THR 41 -26.920 6.137 -2.702 357 H LYS 42 HN LYS 42 -30.407 8.637 -0.035 358 HA LYS 42 HA LYS 42 -32.564 7.397 1.417 359 1HB LYS 42 HB1 LYS 42 -32.540 9.880 -0.360 360 2HB LYS 42 HB2 LYS 42 -32.175 9.877 1.362 361 1HG LYS 42 HG1 LYS 42 -34.394 10.202 1.697 362 2HG LYS 42 HG2 LYS 42 -34.610 8.526 1.208 363 1HD LYS 42 HD1 LYS 42 -34.834 9.244 -1.151 364 2HD LYS 42 HD2 LYS 42 -34.617 10.920 -0.662 365 1HE LYS 42 HE1 LYS 42 -36.634 10.767 0.762 366 2HE LYS 42 HE2 LYS 42 -36.852 9.091 0.274 367 1HZ LYS 42 HZ1 LYS 42 -36.677 11.210 -1.760 368 2HZ LYS 42 HZ2 LYS 42 -38.140 10.932 -0.941 369 3HZ LYS 42 HZ3 LYS 42 -37.428 9.689 -1.854 370 H GLY 43 HN GLY 43 -31.479 7.292 -1.794 371 1HA GLY 43 HA1 GLY 43 -32.418 6.364 -3.738 372 2HA GLY 43 HA2 GLY 43 -33.970 6.979 -3.177 373 H ASN 44 HN ASN 44 -31.644 4.378 -2.486 374 HA ASN 44 HA ASN 44 -33.371 2.238 -2.893 375 1HB ASN 44 HB1 ASN 44 -31.861 1.109 -1.046 376 2HB ASN 44 HB2 ASN 44 -30.994 2.642 -1.051 377 1HD2 ASN 44 HD21 ASN 44 -29.462 2.938 -2.686 378 2HD2 ASN 44 HD22 ASN 44 -29.293 1.931 -4.040 379 H LEU 45 HN LEU 45 -33.085 4.302 -0.070 380 HA LEU 45 HA LEU 45 -34.570 2.691 1.746 381 1HB LEU 45 HB1 LEU 45 -34.322 5.741 1.489 382 2HB LEU 45 HB2 LEU 45 -33.305 4.701 2.464 383 HG LEU 45 HG LEU 45 -34.836 5.667 4.011 384 1HD1 LEU 45 HD11 LEU 45 -36.974 6.319 3.560 385 2HD1 LEU 45 HD12 LEU 45 -37.384 4.809 2.763 386 3HD1 LEU 45 HD13 LEU 45 -36.540 6.065 1.878 387 1HD2 LEU 45 HD21 LEU 45 -35.925 3.769 4.949 388 2HD2 LEU 45 HD22 LEU 45 -34.545 3.121 4.071 389 3HD2 LEU 45 HD23 LEU 45 -36.158 3.011 3.380 390 H THR 46 HN THR 46 -35.618 5.223 -0.513 391 HA THR 46 HA THR 46 -38.384 5.129 0.135 392 HB THR 46 HB THR 46 -37.002 5.750 -2.549 393 HG1 THR 46 HG1 THR 46 -36.467 7.435 -1.414 394 1HG2 THR 46 HG21 THR 46 -39.527 5.414 -2.740 395 2HG2 THR 46 HG22 THR 46 -39.076 7.101 -2.962 396 3HG2 THR 46 HG23 THR 46 -39.746 6.563 -1.425 397 H LYS 47 HN LYS 47 -36.419 3.171 -2.034 398 HA LYS 47 HA LYS 47 -38.594 1.824 -3.324 399 1HB LYS 47 HB1 LYS 47 -35.716 0.948 -2.742 400 2HB LYS 47 HB2 LYS 47 -36.292 1.709 -4.217 401 1HG LYS 47 HG1 LYS 47 -37.035 -1.057 -3.194 402 2HG LYS 47 HG2 LYS 47 -36.090 -0.680 -4.627 403 1HD LYS 47 HD1 LYS 47 -38.210 0.694 -5.343 404 2HD LYS 47 HD2 LYS 47 -39.042 -0.319 -4.169 405 1HE LYS 47 HE1 LYS 47 -39.123 -1.342 -6.417 406 2HE LYS 47 HE2 LYS 47 -38.191 -2.343 -5.311 407 1HZ LYS 47 HZ1 LYS 47 -36.462 -2.176 -6.646 408 2HZ LYS 47 HZ2 LYS 47 -36.473 -0.482 -6.513 409 3HZ LYS 47 HZ3 LYS 47 -37.375 -1.243 -7.734 410 H HIS 48 HN HIS 48 -36.761 1.123 -0.375 411 HA HIS 48 HA HIS 48 -37.964 -1.430 0.120 412 1HB HIS 48 HB1 HIS 48 -36.812 0.649 2.051 413 2HB HIS 48 HB2 HIS 48 -35.935 -0.699 1.334 414 HD1 HIS 48 HD1 HIS 48 -37.269 -3.070 1.956 415 HD2 HIS 48 HD2 HIS 48 -37.766 0.041 4.562 416 HE1 HIS 48 HE1 HIS 48 -38.043 -4.089 4.041 417 H MET 49 HN MET 49 -38.973 1.852 0.794 418 HA MET 49 HA MET 49 -41.239 0.918 2.437 419 1HB MET 49 HB1 MET 49 -41.764 3.381 2.542 420 2HB MET 49 HB2 MET 49 -40.450 3.690 1.413 421 1HG MET 49 HG1 MET 49 -39.560 4.066 3.584 422 2HG MET 49 HG2 MET 49 -38.901 2.553 3.024 423 1HE MET 49 HE1 MET 49 -38.370 3.479 5.536 424 2HE MET 49 HE2 MET 49 -39.118 2.685 6.923 425 3HE MET 49 HE3 MET 49 -39.830 4.155 6.258 426 H LYS 50 HN LYS 50 -40.560 1.737 -0.838 427 HA LYS 50 HA LYS 50 -43.195 2.477 -1.679 428 1HB LYS 50 HB1 LYS 50 -41.093 0.984 -3.317 429 2HB LYS 50 HB2 LYS 50 -41.004 2.713 -2.996 430 1HG LYS 50 HG1 LYS 50 -43.131 3.086 -4.119 431 2HG LYS 50 HG2 LYS 50 -43.379 1.354 -4.308 432 1HD LYS 50 HD1 LYS 50 -41.495 1.172 -5.810 433 2HD LYS 50 HD2 LYS 50 -40.999 2.828 -5.474 434 1HE LYS 50 HE1 LYS 50 -43.128 3.650 -6.456 435 2HE LYS 50 HE2 LYS 50 -43.591 1.993 -6.820 436 1HZ LYS 50 HZ1 LYS 50 -42.348 2.002 -8.633 437 2HZ LYS 50 HZ2 LYS 50 -40.989 2.590 -7.801 438 3HZ LYS 50 HZ3 LYS 50 -42.141 3.674 -8.418 439 H SER 51 HN SER 51 -41.499 -0.651 -1.945 440 HA SER 51 HA SER 51 -43.549 -2.186 -3.033 441 1HB SER 51 HB1 SER 51 -41.507 -2.892 -0.861 442 2HB SER 51 HB2 SER 51 -41.393 -3.238 -2.598 443 HG SER 51 HG1 SER 51 -42.193 -5.037 -1.403 444 H LYS 52 HN LYS 52 -44.761 -3.959 -1.735 445 HA LYS 52 HA LYS 52 -46.632 -2.556 -0.013 446 1HB LYS 52 HB1 LYS 52 -47.425 -4.359 -1.488 447 2HB LYS 52 HB2 LYS 52 -47.679 -4.865 0.178 448 1HG LYS 52 HG1 LYS 52 -45.531 -6.129 0.098 449 2HG LYS 52 HG2 LYS 52 -45.339 -5.662 -1.588 450 1HD LYS 52 HD1 LYS 52 -47.297 -6.882 -2.245 451 2HD LYS 52 HD2 LYS 52 -47.796 -7.111 -0.572 452 1HE LYS 52 HE1 LYS 52 -46.169 -8.737 -0.167 453 2HE LYS 52 HE2 LYS 52 -45.111 -8.140 -1.440 454 1HZ LYS 52 HZ1 LYS 52 -46.797 -8.929 -3.057 455 2HZ LYS 52 HZ2 LYS 52 -47.632 -9.661 -1.771 456 3HZ LYS 52 HZ3 LYS 52 -46.059 -10.169 -2.162 457 H ALA 53 HN ALA 53 -43.772 -2.939 0.864 458 HA ALA 53 HA ALA 53 -43.612 -4.796 2.995 459 1HB ALA 53 HB1 ALA 53 -42.340 -2.041 2.624 460 2HB ALA 53 HB2 ALA 53 -41.621 -3.596 2.219 461 3HB ALA 53 HB3 ALA 53 -41.870 -3.155 3.905 462 H HIS 54 HN HIS 54 -43.101 -1.786 4.381 463 HA HIS 54 HA HIS 54 -45.797 -1.641 5.579 464 1HB HIS 54 HB1 HIS 54 -44.901 -2.985 7.261 465 2HB HIS 54 HB2 HIS 54 -44.353 -1.420 7.853 466 HD1 HIS 54 HD1 HIS 54 -43.061 -4.583 6.882 467 HD2 HIS 54 HD2 HIS 54 -41.574 -0.774 6.852 468 HE1 HIS 54 HE1 HIS 54 -40.629 -4.831 6.733 469 H SER 55 HN SER 55 -45.901 0.358 4.494 470 HA SER 55 HA SER 55 -44.797 2.557 6.075 471 1HB SER 55 HB1 SER 55 -44.126 2.430 3.088 472 2HB SER 55 HB2 SER 55 -42.976 1.961 4.356 473 HG SER 55 HG1 SER 55 -44.000 4.172 5.204 474 H LYS 56 HN LYS 56 -46.622 1.452 3.289 475 HA LYS 56 HA LYS 56 -48.375 3.869 3.562 476 1HB LYS 56 HB1 LYS 56 -48.810 3.679 1.148 477 2HB LYS 56 HB2 LYS 56 -47.893 2.179 1.062 478 1HG LYS 56 HG1 LYS 56 -45.842 3.380 1.719 479 2HG LYS 56 HG2 LYS 56 -46.752 4.882 1.845 480 1HD LYS 56 HD1 LYS 56 -46.930 3.356 -0.723 481 2HD LYS 56 HD2 LYS 56 -45.442 4.237 -0.395 482 1HE LYS 56 HE1 LYS 56 -48.238 5.419 -0.330 483 2HE LYS 56 HE2 LYS 56 -47.063 5.654 -1.618 484 1HZ LYS 56 HZ1 LYS 56 -46.177 7.303 -0.480 485 2HZ LYS 56 HZ2 LYS 56 -45.856 6.276 0.834 486 3HZ LYS 56 HZ3 LYS 56 -47.337 7.101 0.744 487 H LYS 57 HN LYS 57 -48.257 0.761 4.353 488 HA LYS 57 HA LYS 57 -50.533 -0.478 3.284 489 1HB LYS 57 HB1 LYS 57 -48.972 -1.683 4.752 490 2HB LYS 57 HB2 LYS 57 -50.568 -1.741 5.491 491 1HG LYS 57 HG1 LYS 57 -49.970 0.191 6.925 492 2HG LYS 57 HG2 LYS 57 -48.372 0.238 6.190 493 1HD LYS 57 HD1 LYS 57 -48.068 -2.170 6.942 494 2HD LYS 57 HD2 LYS 57 -49.560 -1.997 7.861 495 1HE LYS 57 HE1 LYS 57 -47.068 -0.290 8.179 496 2HE LYS 57 HE2 LYS 57 -47.615 -1.532 9.299 497 1HZ LYS 57 HZ1 LYS 57 -48.307 0.560 10.127 498 2HZ LYS 57 HZ2 LYS 57 -49.694 -0.231 9.550 499 3HZ LYS 57 LYS 57 -48.983 1.011 8.634 Start of MODEL 55 Raw file had 499 H/Q atoms Start of MODEL 55 1 1H LYS 1 HT1 LYS 1 -6.813 -5.999 -5.194 2 2H LYS 1 HT2 LYS 1 -6.340 -5.402 -6.712 3 3H LYS 1 HT3 LYS 1 -6.086 -7.036 -6.325 4 HA LYS 1 HA LYS 1 -8.060 -6.364 -7.826 5 1HB LYS 1 HB1 LYS 1 -9.432 -8.135 -6.222 6 2HB LYS 1 HB2 LYS 1 -7.788 -8.387 -5.645 7 1HG LYS 1 HG1 LYS 1 -7.062 -8.679 -8.038 8 2HG LYS 1 HG2 LYS 1 -8.754 -8.594 -8.515 9 1HD LYS 1 HD1 LYS 1 -9.095 -10.483 -6.735 10 2HD LYS 1 HD2 LYS 1 -7.358 -10.715 -6.891 11 1HE LYS 1 HE1 LYS 1 -7.851 -10.715 -9.468 12 2HE LYS 1 HE2 LYS 1 -9.503 -11.066 -8.974 13 1HZ LYS 1 HZ1 LYS 1 -7.964 -13.013 -9.423 14 2HZ LYS 1 HZ2 LYS 1 -8.870 -13.053 -7.988 15 3HZ LYS 1 HZ3 LYS 1 -7.225 -12.632 -7.942 16 OH TYR 2 OH TYR 2 -5.431 -0.407 -5.287 17 H TYR 2 HN TYR 2 -9.343 -4.640 -7.767 18 HA TYR 2 HA TYR 2 -10.616 -3.867 -5.192 19 1HB TYR 2 HB1 TYR 2 -11.269 -1.819 -6.457 20 2HB TYR 2 HB2 TYR 2 -10.555 -2.494 -7.918 21 HD1 TYR 2 HD2 TYR 2 -9.784 -1.350 -4.475 22 HD2 TYR 2 HD1 TYR 2 -8.188 -2.402 -8.272 23 HE1 TYR 2 HE2 TYR 2 -7.607 -0.436 -3.814 24 HE2 TYR 2 HE1 TYR 2 -6.007 -1.502 -7.606 25 HH TYR 2 HH TYR 2 -4.962 -1.093 -4.807 26 H ILE 3 HN ILE 3 -11.771 -6.093 -5.773 27 HA ILE 3 HA ILE 3 -14.361 -5.325 -7.050 28 HB ILE 3 HB ILE 3 -13.063 -8.091 -7.112 29 1HG1 ILE 3 HG11 ILE 3 -12.690 -5.716 -8.820 30 2HG1 ILE 3 HG12 ILE 3 -13.130 -7.168 -9.711 31 1HG2 ILE 3 HG21 ILE 3 -15.576 -7.964 -7.318 32 2HG2 ILE 3 HG22 ILE 3 -14.834 -8.516 -8.815 33 3HG2 ILE 3 HG23 ILE 3 -15.394 -6.853 -8.672 34 1HD1 ILE 3 HD1 ILE 3 -10.663 -6.972 -9.428 35 2HD1 ILE 3 HD2 ILE 3 -11.298 -8.410 -8.634 36 3HD1 ILE 3 HD3 ILE 3 -10.877 -6.991 -7.681 37 H CYS 4 HN CYS 4 -15.871 -5.267 -5.498 38 HA CYS 4 HA CYS 4 -15.536 -6.433 -2.938 39 1HB CYS 4 HB1 CYS 4 -17.988 -5.539 -4.455 40 2HB CYS 4 HB2 CYS 4 -17.156 -4.684 -3.189 41 H GLU 5 HN GLU 5 -15.540 -8.460 -2.380 42 HA GLU 5 HA GLU 5 -16.345 -10.564 -4.146 43 1HB GLU 5 HB1 GLU 5 -15.962 -11.994 -2.045 44 2HB GLU 5 HB2 GLU 5 -15.621 -10.494 -1.188 45 1HG GLU 5 HG1 GLU 5 -13.975 -10.083 -3.236 46 2HG GLU 5 HG2 GLU 5 -14.038 -11.840 -3.354 47 H GLU 6 HN GLU 6 -18.144 -8.609 -2.043 48 HA GLU 6 HA GLU 6 -20.169 -10.660 -1.546 49 1HB GLU 6 HB1 GLU 6 -20.442 -7.707 -0.915 50 2HB GLU 6 HB2 GLU 6 -19.443 -8.749 0.089 51 1HG GLU 6 HG1 GLU 6 -21.406 -10.254 0.423 52 2HG GLU 6 HG2 GLU 6 -22.394 -9.140 -0.519 53 H CYS 7 HN CYS 7 -20.447 -7.322 -2.753 54 HA CYS 7 HA CYS 7 -22.854 -8.002 -4.224 55 1HB CYS 7 HB1 CYS 7 -22.875 -5.713 -4.887 56 2HB CYS 7 HB2 CYS 7 -21.152 -5.557 -4.713 57 H GLY 8 HN GLY 8 -19.511 -7.219 -5.094 58 1HA GLY 8 HA1 GLY 8 -19.974 -8.541 -7.731 59 2HA GLY 8 HA2 GLY 8 -18.411 -8.419 -6.931 60 H ILE 9 HN ILE 9 -19.267 -5.542 -6.209 61 HA ILE 9 HA ILE 9 -19.501 -4.103 -8.655 62 HB ILE 9 HB ILE 9 -19.841 -3.332 -6.140 63 1HG1 ILE 9 HG11 ILE 9 -18.863 -1.780 -8.507 64 2HG1 ILE 9 HG12 ILE 9 -18.996 -0.939 -6.967 65 1HG2 ILE 9 HG21 ILE 9 -17.264 -3.798 -5.777 66 2HG2 ILE 9 HG22 ILE 9 -17.931 -2.322 -5.103 67 3HG2 ILE 9 HG23 ILE 9 -17.023 -2.270 -6.608 68 1HD1 ILE 9 HD1 ILE 9 -21.339 -1.581 -6.766 69 2HD1 ILE 9 HD2 ILE 9 -21.226 -2.576 -8.214 70 3HD1 ILE 9 HD3 ILE 9 -21.095 -0.824 -8.337 71 NH1 ARG 10 NH2 ARG 10 -14.729 -6.840 -15.239 72 NH2 ARG 10 NH1 ARG 10 -16.581 -5.736 -15.998 73 H ARG 10 HN ARG 10 -17.994 -3.107 -9.936 74 HA ARG 10 HA ARG 10 -15.163 -3.958 -9.490 75 1HB ARG 10 HB1 ARG 10 -16.515 -3.265 -12.138 76 2HB ARG 10 HB2 ARG 10 -16.468 -4.900 -11.502 77 1HG ARG 10 HG1 ARG 10 -13.833 -4.292 -11.309 78 2HG ARG 10 HG2 ARG 10 -14.266 -3.245 -12.654 79 1HD ARG 10 HD1 ARG 10 -14.695 -6.246 -12.472 80 2HD ARG 10 HD2 ARG 10 -13.602 -5.397 -13.564 81 HE ARG 10 HE ARG 10 -16.368 -4.539 -13.872 82 1HH1 ARG 10 HH21 ARG 10 -14.036 -6.960 -14.529 83 2HH1 ARG 10 HH22 ARG 10 -14.715 -7.417 -16.055 84 1HH2 ARG 10 HH11 ARG 10 -17.273 -5.028 -15.857 85 2HH2 ARG 10 HH12 ARG 10 -16.597 -6.294 -16.827 86 H ABA 11 HN ABU 11 -13.907 -2.321 -8.926 87 HA ABA 11 HA ABU 11 -14.350 0.334 -10.239 88 1HB ABA 11 HB1 ABU 11 -13.603 1.318 -8.004 89 2HB ABA 11 HB2 ABU 11 -13.764 -0.281 -7.317 90 1HG ABA 11 HG1 ABU 11 -15.833 0.917 -6.899 91 2HG ABA 11 HG2 ABU 11 -16.155 -0.313 -8.117 92 3HG ABA 11 HG3 ABU 11 -15.959 1.369 -8.596 93 H LYS 12 HN LYS 12 -12.643 0.522 -11.529 94 HA LYS 12 HA LYS 12 -10.117 -0.707 -11.101 95 1HB LYS 12 HB1 LYS 12 -9.414 1.097 -12.876 96 2HB LYS 12 HB2 LYS 12 -11.122 1.524 -12.888 97 1HG LYS 12 HG1 LYS 12 -11.446 -1.095 -13.151 98 2HG LYS 12 HG2 LYS 12 -9.799 -1.023 -13.766 99 1HD LYS 12 HD1 LYS 12 -12.145 0.611 -14.794 100 2HD LYS 12 HD2 LYS 12 -11.423 -0.771 -15.609 101 1HE LYS 12 HE1 LYS 12 -10.151 1.917 -15.042 102 2HE LYS 12 HE2 LYS 12 -10.434 1.170 -16.609 103 1HZ LYS 12 HZ1 LYS 12 -8.301 0.733 -14.711 104 2HZ LYS 12 HZ2 LYS 12 -8.314 0.548 -16.400 105 3HZ LYS 12 HZ3 LYS 12 -8.934 -0.682 -15.405 106 H LYS 13 HN LYS 13 -11.313 1.485 -9.105 107 HA LYS 13 HA LYS 13 -8.622 2.619 -8.587 108 1HB LYS 13 HB1 LYS 13 -9.965 4.805 -7.958 109 2HB LYS 13 HB2 LYS 13 -11.223 4.110 -8.976 110 1HG LYS 13 HG1 LYS 13 -9.409 3.825 -10.769 111 2HG LYS 13 HG2 LYS 13 -8.395 4.857 -9.768 112 1HD LYS 13 HD1 LYS 13 -11.116 5.582 -10.907 113 2HD LYS 13 HD2 LYS 13 -9.565 6.223 -11.438 114 1HE LYS 13 HE1 LYS 13 -11.016 6.713 -8.841 115 2HE LYS 13 HE2 LYS 13 -10.346 7.889 -9.964 116 1HZ LYS 13 HZ1 LYS 13 -8.142 6.609 -9.299 117 2HZ LYS 13 HZ2 LYS 13 -9.029 6.357 -7.871 118 3HZ LYS 13 HZ3 LYS 13 -8.731 7.937 -8.419 119 HA PRO 14 HA PRO 14 -9.471 1.527 -4.377 120 1HB PRO 14 HB1 PRO 14 -7.449 2.172 -3.472 121 2HB PRO 14 HB2 PRO 14 -8.145 3.760 -3.152 122 1HG PRO 14 HG1 PRO 14 -6.067 3.193 -4.997 123 2HG PRO 14 HG2 PRO 14 -6.973 4.704 -4.892 124 1HD PRO 14 HD1 PRO 14 -7.831 4.223 -6.964 125 2HD PRO 14 HD2 PRO 14 -7.144 2.587 -6.904 126 H SER 15 HN SER 15 -9.300 5.085 -4.272 127 HA SER 15 HA SER 15 -11.132 5.751 -2.395 128 1HB SER 15 HB1 SER 15 -10.097 7.501 -3.779 129 2HB SER 15 HB2 SER 15 -11.850 7.687 -3.974 130 HG SER 15 HG1 SER 15 -10.324 5.962 -5.612 131 H MET 16 HN MET 16 -12.009 4.615 -5.633 132 HA MET 16 HA MET 16 -14.845 4.937 -5.235 133 1HB MET 16 HB1 MET 16 -14.830 3.133 -7.170 134 2HB MET 16 HB2 MET 16 -13.085 3.375 -7.145 135 1HG MET 16 HG1 MET 16 -15.253 5.283 -7.891 136 2HG MET 16 HG2 MET 16 -13.748 4.952 -8.705 137 1HE MET 16 HE1 MET 16 -15.342 8.086 -7.472 138 2HE MET 16 HE2 MET 16 -14.749 7.339 -8.955 139 3HE MET 16 HE3 MET 16 -13.862 8.678 -8.226 140 H LEU 17 HN LEU 17 -12.787 2.006 -5.249 141 HA LEU 17 HA LEU 17 -14.850 0.310 -4.207 142 1HB LEU 17 HB1 LEU 17 -11.861 -0.079 -3.749 143 2HB LEU 17 HB2 LEU 17 -12.555 -0.291 -5.336 144 HG LEU 17 HG LEU 17 -12.310 -2.446 -4.040 145 1HD1 LEU 17 HD11 LEU 17 -12.918 -1.332 -1.832 146 2HD1 LEU 17 HD12 LEU 17 -13.637 -2.906 -2.134 147 3HD1 LEU 17 HD13 LEU 17 -14.597 -1.451 -2.343 148 1HD2 LEU 17 HD21 LEU 17 -15.258 -1.930 -4.483 149 2HD2 LEU 17 HD22 LEU 17 -14.337 -3.396 -4.779 150 3HD2 LEU 17 HD23 LEU 17 -14.135 -2.006 -5.829 151 H LYS 18 HN LYS 18 -11.965 1.670 -2.681 152 HA LYS 18 HA LYS 18 -12.110 1.067 -0.071 153 1HB LYS 18 HB1 LYS 18 -11.864 3.898 -1.195 154 2HB LYS 18 HB2 LYS 18 -10.545 2.753 -1.009 155 1HG LYS 18 HG1 LYS 18 -11.037 2.727 1.472 156 2HG LYS 18 HG2 LYS 18 -12.182 4.033 1.204 157 1HD LYS 18 HD1 LYS 18 -10.474 5.531 0.483 158 2HD LYS 18 HD2 LYS 18 -9.307 4.230 0.280 159 1HE LYS 18 HE1 LYS 18 -10.418 4.387 2.999 160 2HE LYS 18 HE2 LYS 18 -9.519 5.822 2.525 161 1HZ LYS 18 HZ1 LYS 18 -8.278 3.850 3.570 162 2HZ LYS 18 HZ2 LYS 18 -7.594 4.635 2.230 163 3HZ LYS 18 HZ3 LYS 18 -8.395 3.152 2.025 164 H LYS 19 HN LYS 19 -14.191 3.550 -1.548 165 HA LYS 19 HA LYS 19 -15.632 4.002 0.902 166 1HB LYS 19 HB1 LYS 19 -16.754 4.591 -1.851 167 2HB LYS 19 HB2 LYS 19 -15.384 5.524 -1.255 168 1HG LYS 19 HG1 LYS 19 -16.631 6.564 0.382 169 2HG LYS 19 HG2 LYS 19 -17.678 5.169 0.618 170 1HD LYS 19 HD1 LYS 19 -18.838 5.649 -1.493 171 2HD LYS 19 HD2 LYS 19 -17.753 6.999 -1.804 172 1HE LYS 19 HE1 LYS 19 -18.707 8.327 -0.149 173 2HE LYS 19 HE2 LYS 19 -19.238 6.943 0.799 174 1HZ LYS 19 HZ1 LYS 19 -20.453 8.050 -1.656 175 2HZ LYS 19 HZ2 LYS 19 -21.162 7.843 -0.126 176 3HZ LYS 19 HZ3 LYS 19 -20.822 6.490 -1.094 177 H HIS 20 HN HIS 20 -16.228 2.148 -2.045 178 HA HIS 20 HA HIS 20 -18.867 1.318 -1.490 179 1HB HIS 20 HB1 HIS 20 -16.594 -0.228 -2.817 180 2HB HIS 20 HB2 HIS 20 -17.742 0.814 -3.655 181 HD1 HIS 20 HD1 HIS 20 -19.783 -0.433 -4.387 182 HD2 HIS 20 HD2 HIS 20 -17.846 -2.475 -1.449 183 HE1 HIS 20 HE1 HIS 20 -21.035 -2.519 -4.109 184 H ILE 21 HN ILE 21 -15.800 -0.312 -0.715 185 HA ILE 21 HA ILE 21 -17.022 -2.425 0.732 186 HB ILE 21 HB ILE 21 -14.682 -2.544 -0.036 187 1HG1 ILE 21 HG11 ILE 21 -15.547 -3.211 2.624 188 2HG1 ILE 21 HG12 ILE 21 -13.862 -2.726 2.690 189 1HG2 ILE 21 HG21 ILE 21 -12.944 -1.187 1.194 190 2HG2 ILE 21 HG22 ILE 21 -14.231 -0.343 2.044 191 3HG2 ILE 21 HG23 ILE 21 -14.071 -0.179 0.301 192 1HD1 ILE 21 HD1 ILE 21 -14.083 -5.143 2.210 193 2HD1 ILE 21 HD2 ILE 21 -13.350 -4.299 0.849 194 3HD1 ILE 21 HD3 ILE 21 -15.045 -4.772 0.782 195 NH1 ARG 22 NH2 ARG 22 -12.424 5.809 3.573 196 NH2 ARG 22 NH1 ARG 22 -11.833 5.464 5.754 197 H ARG 22 HN ARG 22 -16.133 0.828 1.688 198 HA ARG 22 HA ARG 22 -16.426 0.356 4.532 199 1HB ARG 22 HB1 ARG 22 -16.850 2.961 4.456 200 2HB ARG 22 HB2 ARG 22 -16.471 2.820 2.745 201 1HG ARG 22 HG1 ARG 22 -14.330 1.621 3.432 202 2HG ARG 22 HG2 ARG 22 -14.692 2.093 5.088 203 1HD ARG 22 HD1 ARG 22 -14.958 4.503 4.030 204 2HD ARG 22 HD2 ARG 22 -13.958 3.829 2.744 205 HE ARG 22 HE ARG 22 -12.680 3.174 5.171 206 1HH1 ARG 22 HH21 ARG 22 -12.883 5.481 2.749 207 2HH1 ARG 22 HH22 ARG 22 -11.966 6.699 3.571 208 1HH2 ARG 22 HH11 ARG 22 -11.850 4.877 6.563 209 2HH2 ARG 22 HH12 ARG 22 -11.366 6.348 5.788 210 H THR 23 HN THR 23 -18.681 0.664 1.962 211 HA THR 23 HA THR 23 -20.838 1.642 3.664 212 HB THR 23 HB THR 23 -21.286 0.138 1.043 213 HG1 THR 23 HG1 THR 23 -19.862 1.518 0.288 214 1HG2 THR 23 HG21 THR 23 -23.078 1.419 2.618 215 2HG2 THR 23 HG22 THR 23 -23.142 1.648 0.872 216 3HG2 THR 23 HG23 THR 23 -22.360 2.855 1.891 217 H HIS 24 HN HIS 24 -19.310 -1.337 3.407 218 HA HIS 24 HA HIS 24 -21.754 -2.897 4.027 219 1HB HIS 24 HB1 HIS 24 -19.921 -4.778 4.269 220 2HB HIS 24 HB2 HIS 24 -18.821 -3.593 3.574 221 HD1 HIS 24 HD1 HIS 24 -22.259 -4.821 2.606 222 HD2 HIS 24 HD2 HIS 24 -18.678 -3.926 0.889 223 HE1 HIS 24 HE1 HIS 24 -22.551 -5.236 0.183 224 H THR 25 HN THR 25 -19.921 -0.865 5.753 225 HA THR 25 HA THR 25 -19.518 -2.590 8.114 226 HB THR 25 HB THR 25 -18.886 -0.166 9.063 227 HG1 THR 25 HG1 THR 25 -18.269 0.782 6.758 228 1HG2 THR 25 HG21 THR 25 -16.725 -0.180 7.702 229 2HG2 THR 25 HG22 THR 25 -17.423 -1.444 6.694 230 3HG2 THR 25 HG23 THR 25 -17.082 -1.760 8.392 231 H ASP 26 HN ASP 26 -20.576 0.629 8.589 232 HA ASP 26 HA ASP 26 -23.351 -0.112 9.134 233 1HB ASP 26 HB1 ASP 26 -23.153 0.635 11.560 234 2HB ASP 26 HB2 ASP 26 -21.404 0.690 11.355 235 H VAL 27 HN VAL 27 -21.796 1.705 7.513 236 HA VAL 27 HA VAL 27 -22.466 4.350 8.647 237 HB VAL 27 HB VAL 27 -20.267 4.091 7.634 238 1HG1 VAL 27 HG11 VAL 27 -21.823 2.937 5.325 239 2HG1 VAL 27 HG12 VAL 27 -20.555 2.165 6.275 240 3HG1 VAL 27 HG13 VAL 27 -20.153 3.466 5.156 241 1HG2 VAL 27 HG21 VAL 27 -22.025 6.070 6.866 242 2HG2 VAL 27 HG22 VAL 27 -21.456 5.460 5.313 243 3HG2 VAL 27 HG23 VAL 27 -20.303 6.063 6.498 244 NH1 ARG 28 NH1 ARG 28 -25.659 -0.542 8.537 245 NH2 ARG 28 NH2 ARG 28 -26.221 -2.103 6.966 246 H ARG 28 HN ARG 28 -24.698 2.888 8.128 247 HA ARG 28 HA ARG 28 -25.865 4.156 5.677 248 1HB ARG 28 HB1 ARG 28 -27.554 2.192 5.939 249 2HB ARG 28 HB2 ARG 28 -26.402 1.507 7.079 250 1HG ARG 28 HG1 ARG 28 -24.684 1.988 5.104 251 2HG ARG 28 HG2 ARG 28 -26.137 1.892 4.121 252 1HD ARG 28 HD1 ARG 28 -25.115 -0.336 4.305 253 2HD ARG 28 HD2 ARG 28 -26.659 -0.319 5.153 254 HE ARG 28 HE ARG 28 -24.027 -0.080 6.559 255 1HH1 ARG 28 HH11 ARG 28 -25.188 0.309 8.767 256 2HH1 ARG 28 HH12 ARG 28 -26.158 -1.045 9.242 257 1HH2 ARG 28 HH21 ARG 28 -26.171 -2.422 6.020 258 2HH2 ARG 28 HH22 ARG 28 -26.729 -2.632 7.646 259 HA PRO 29 HA PRO 29 -27.904 5.962 9.462 260 1HB PRO 29 HB1 PRO 29 -27.410 8.190 9.259 261 2HB PRO 29 HB2 PRO 29 -28.444 8.322 7.835 262 1HG PRO 29 HG1 PRO 29 -25.527 8.202 7.949 263 2HG PRO 29 HG2 PRO 29 -26.554 8.499 6.545 264 1HD PRO 29 HD1 PRO 29 -26.257 6.367 5.811 265 2HD PRO 29 HD2 PRO 29 -25.085 6.120 7.114 266 OH TYR 30 OH TYR 30 -29.589 10.634 3.102 267 H TYR 30 HN TYR 30 -28.950 5.328 6.246 268 HA TYR 30 HA TYR 30 -31.726 6.161 6.824 269 1HB TYR 30 HB1 TYR 30 -32.163 5.251 4.507 270 2HB TYR 30 HB2 TYR 30 -30.493 4.713 4.428 271 HD1 TYR 30 HD1 TYR 30 -32.458 7.813 5.175 272 HD2 TYR 30 HD2 TYR 30 -28.916 6.173 3.482 273 HE1 TYR 30 HE1 TYR 30 -31.783 10.046 4.422 274 HE2 TYR 30 HE2 TYR 30 -28.241 8.408 2.734 275 HH TYR 30 HH TYR 30 -30.328 11.021 2.628 276 H HIS 31 HN HIS 31 -32.155 4.764 8.608 277 HA HIS 31 HA HIS 31 -32.237 1.852 7.993 278 1HB HIS 31 HB1 HIS 31 -32.452 1.534 10.382 279 2HB HIS 31 HB2 HIS 31 -32.928 3.210 10.632 280 HD1 HIS 31 HD1 HIS 31 -29.955 1.179 10.032 281 HD2 HIS 31 HD2 HIS 31 -30.828 5.092 10.644 282 HE1 HIS 31 HE1 HIS 31 -27.810 2.239 10.431 283 H CYS 32 HN CYS 32 -34.124 0.719 7.817 284 HA CYS 32 HA CYS 32 -36.520 2.079 7.147 285 1HB CYS 32 HB1 CYS 32 -35.879 -0.749 8.023 286 2HB CYS 32 HB2 CYS 32 -36.333 -0.190 6.436 287 H THR 33 HN THR 33 -38.475 2.342 8.295 288 HA THR 33 HA THR 33 -38.055 2.925 11.127 289 HB THR 33 HB THR 33 -40.729 2.995 9.623 290 HG1 THR 33 HG1 THR 33 -39.884 4.552 8.490 291 1HG2 THR 33 HG21 THR 33 -40.692 3.588 12.105 292 2HG2 THR 33 HG22 THR 33 -41.053 4.993 11.107 293 3HG2 THR 33 HG23 THR 33 -39.436 4.775 11.767 294 OH TYR 34 OH TYR 34 -44.665 2.232 9.763 295 H TYR 34 HN TYR 34 -38.243 0.097 9.836 296 HA TYR 34 HA TYR 34 -39.807 -1.029 12.091 297 1HB TYR 34 HB1 TYR 34 -40.983 -2.599 10.558 298 2HB TYR 34 HB2 TYR 34 -40.165 -1.884 9.174 299 HD1 TYR 34 HD2 TYR 34 -40.760 0.388 8.414 300 HD2 TYR 34 HD1 TYR 34 -42.794 -1.413 11.685 301 HE1 TYR 34 HE2 TYR 34 -42.533 2.072 8.239 302 HE2 TYR 34 HE1 TYR 34 -44.567 0.271 11.508 303 HH TYR 34 HH TYR 34 -45.387 1.850 9.257 304 H CYS 35 HN CYS 35 -38.283 -2.282 9.134 305 HA CYS 35 HA CYS 35 -37.164 -4.579 10.389 306 1HB CYS 35 HB1 CYS 35 -35.793 -4.761 8.373 307 2HB CYS 35 HB2 CYS 35 -36.028 -3.079 8.005 308 H ASN 36 HN ASN 36 -34.551 -4.666 9.686 309 HA ASN 36 HA ASN 36 -33.275 -2.616 11.453 310 1HB ASN 36 HB1 ASN 36 -32.568 -5.575 11.090 311 2HB ASN 36 HB2 ASN 36 -33.355 -4.888 12.509 312 1HD2 ASN 36 HD21 ASN 36 -30.824 -6.228 12.678 313 2HD2 ASN 36 HD22 ASN 36 -29.644 -5.085 13.107 314 H PHE 37 HN PHE 37 -33.633 -3.466 8.388 315 HA PHE 37 HA PHE 37 -30.815 -3.459 7.557 316 1HB PHE 37 HB1 PHE 37 -33.141 -3.043 5.666 317 2HB PHE 37 HB2 PHE 37 -32.938 -4.624 6.423 318 HD1 PHE 37 HD2 PHE 37 -30.564 -5.698 6.252 319 HD2 PHE 37 HD1 PHE 37 -31.865 -2.494 3.769 320 HE1 PHE 37 HE2 PHE 37 -28.804 -6.239 4.627 321 HE2 PHE 37 HE1 PHE 37 -30.105 -3.039 2.147 322 HZ PHE 37 HZ PHE 37 -28.573 -4.910 2.574 323 H SER 38 HN SER 38 -29.873 -1.824 6.271 324 HA SER 38 HA SER 38 -31.341 0.743 6.163 325 1HB SER 38 HB1 SER 38 -28.507 0.531 7.284 326 2HB SER 38 HB2 SER 38 -29.948 0.635 8.310 327 HG SER 38 HG1 SER 38 -29.573 2.715 7.959 328 H PHE 39 HN PHE 39 -30.296 2.342 4.828 329 HA PHE 39 HA PHE 39 -28.514 1.114 2.766 330 1HB PHE 39 HB1 PHE 39 -29.842 2.157 1.068 331 2HB PHE 39 HB2 PHE 39 -30.593 3.261 2.221 332 HD1 PHE 39 HD2 PHE 39 -32.183 2.319 3.957 333 HD2 PHE 39 HD1 PHE 39 -30.777 -0.032 0.696 334 HE1 PHE 39 HE2 PHE 39 -33.940 0.662 4.392 335 HE2 PHE 39 HE1 PHE 39 -32.558 -1.672 1.119 336 HZ PHE 39 HZ PHE 39 -34.138 -1.327 2.971 337 H LYS 40 HN LYS 40 -27.254 2.694 1.551 338 HA LYS 40 HA LYS 40 -26.187 4.742 3.374 339 1HB LYS 40 HB1 LYS 40 -25.354 3.708 0.630 340 2HB LYS 40 HB2 LYS 40 -24.630 3.289 2.163 341 1HG LYS 40 HG1 LYS 40 -24.568 6.026 0.843 342 2HG LYS 40 HG2 LYS 40 -23.212 4.930 1.036 343 1HD LYS 40 HD1 LYS 40 -23.869 5.055 3.589 344 2HD LYS 40 HD2 LYS 40 -24.609 6.573 3.114 345 1HE LYS 40 HE1 LYS 40 -22.330 7.046 3.783 346 2HE LYS 40 HE2 LYS 40 -22.421 7.216 2.034 347 1HZ LYS 40 HZ1 LYS 40 -20.710 5.605 3.464 348 2HZ LYS 40 HZ2 LYS 40 -20.933 5.626 1.782 349 3HZ LYS 40 HZ3 LYS 40 -21.822 4.543 2.742 350 H THR 41 HN THR 41 -28.378 4.569 0.772 351 HA THR 41 HA THR 41 -28.278 7.550 0.520 352 HB THR 41 HB THR 41 -28.637 7.356 -1.882 353 HG1 THR 41 HG1 THR 41 -29.901 5.759 -2.404 354 1HG2 THR 41 HG21 THR 41 -26.978 4.850 -1.279 355 2HG2 THR 41 HG22 THR 41 -26.303 6.454 -1.006 356 3HG2 THR 41 HG23 THR 41 -26.779 5.964 -2.628 357 H LYS 42 HN LYS 42 -30.259 8.561 0.002 358 HA LYS 42 HA LYS 42 -32.494 7.402 1.385 359 1HB LYS 42 HB1 LYS 42 -32.622 9.782 -0.500 360 2HB LYS 42 HB2 LYS 42 -31.859 9.920 1.080 361 1HG LYS 42 HG1 LYS 42 -33.919 9.270 2.196 362 2HG LYS 42 HG2 LYS 42 -34.690 8.909 0.655 363 1HD LYS 42 HD1 LYS 42 -34.884 11.167 0.072 364 2HD LYS 42 HD2 LYS 42 -33.555 11.654 1.118 365 1HE LYS 42 HE1 LYS 42 -34.925 11.230 3.107 366 2HE LYS 42 HE2 LYS 42 -36.239 10.632 2.104 367 1HZ LYS 42 HZ1 LYS 42 -36.941 12.681 1.753 368 2HZ LYS 42 HZ2 LYS 42 -35.404 13.206 1.255 369 3HZ LYS 42 HZ3 LYS 42 -35.816 13.224 2.903 370 H GLY 43 HN GLY 43 -31.360 7.281 -1.826 371 1HA GLY 43 HA1 GLY 43 -32.287 6.373 -3.786 372 2HA GLY 43 HA2 GLY 43 -33.851 6.943 -3.210 373 H ASN 44 HN ASN 44 -31.458 4.397 -2.549 374 HA ASN 44 HA ASN 44 -33.095 2.203 -2.994 375 1HB ASN 44 HB1 ASN 44 -31.600 1.073 -1.193 376 2HB ASN 44 HB2 ASN 44 -30.852 2.653 -0.984 377 1HD2 ASN 44 HD21 ASN 44 -31.190 3.341 -3.883 378 2HD2 ASN 44 HD22 ASN 44 -30.017 2.430 -4.706 379 H LEU 45 HN LEU 45 -32.938 4.248 -0.144 380 HA LEU 45 HA LEU 45 -34.457 2.589 1.597 381 1HB LEU 45 HB1 LEU 45 -34.218 5.641 1.391 382 2HB LEU 45 HB2 LEU 45 -33.247 4.592 2.401 383 HG LEU 45 HG LEU 45 -34.847 5.533 3.890 384 1HD1 LEU 45 HD11 LEU 45 -36.952 6.211 3.342 385 2HD1 LEU 45 HD12 LEU 45 -37.337 4.710 2.518 386 3HD1 LEU 45 HD13 LEU 45 -36.445 5.966 1.679 387 1HD2 LEU 45 HD21 LEU 45 -36.136 2.892 3.144 388 2HD2 LEU 45 HD22 LEU 45 -36.011 3.630 4.734 389 3HD2 LEU 45 HD23 LEU 45 -34.574 2.993 3.943 390 H THR 46 HN THR 46 -35.469 5.202 -0.591 391 HA THR 46 HA THR 46 -38.247 5.055 -0.069 392 HB THR 46 HB THR 46 -36.834 5.675 -2.737 393 HG1 THR 46 HG1 THR 46 -37.209 6.922 -0.285 394 1HG2 THR 46 HG21 THR 46 -38.958 6.245 -3.477 395 2HG2 THR 46 HG22 THR 46 -39.158 7.293 -2.077 396 3HG2 THR 46 HG23 THR 46 -39.636 5.602 -1.985 397 H LYS 47 HN LYS 47 -36.183 3.112 -2.142 398 HA LYS 47 HA LYS 47 -38.249 1.776 -3.587 399 1HB LYS 47 HB1 LYS 47 -36.170 -0.095 -3.218 400 2HB LYS 47 HB2 LYS 47 -35.363 1.462 -3.102 401 1HG LYS 47 HG1 LYS 47 -36.626 2.114 -5.237 402 2HG LYS 47 HG2 LYS 47 -37.038 0.410 -5.391 403 1HD LYS 47 HD1 LYS 47 -34.235 1.568 -5.241 404 2HD LYS 47 HD2 LYS 47 -34.999 0.889 -6.672 405 1HE LYS 47 HE1 LYS 47 -35.325 -1.239 -5.175 406 2HE LYS 47 HE2 LYS 47 -34.057 -0.526 -4.186 407 1HZ LYS 47 HZ1 LYS 47 -32.511 -0.755 -5.825 408 2HZ LYS 47 HZ2 LYS 47 -33.653 -0.720 -7.082 409 3HZ LYS 47 HZ3 LYS 47 -33.476 -2.118 -6.133 410 H HIS 48 HN HIS 48 -36.661 1.011 -0.507 411 HA HIS 48 HA HIS 48 -38.073 -1.472 -0.124 412 1HB HIS 48 HB1 HIS 48 -36.766 0.451 1.871 413 2HB HIS 48 HB2 HIS 48 -36.019 -0.974 1.156 414 HD1 HIS 48 HD1 HIS 48 -37.876 -3.125 1.650 415 HD2 HIS 48 HD2 HIS 48 -37.533 -0.160 4.442 416 HE1 HIS 48 HE1 HIS 48 -38.697 -4.102 3.738 417 H MET 49 HN MET 49 -38.866 1.856 0.414 418 HA MET 49 HA MET 49 -41.151 1.202 2.150 419 1HB MET 49 HB1 MET 49 -41.579 3.757 1.748 420 2HB MET 49 HB2 MET 49 -40.016 3.753 0.938 421 1HG MET 49 HG1 MET 49 -39.668 4.355 3.242 422 2HG MET 49 HG2 MET 49 -38.993 2.772 2.967 423 1HE MET 49 HE1 MET 49 -39.838 2.828 6.658 424 2HE MET 49 HE2 MET 49 -38.826 3.606 5.440 425 3HE MET 49 HE3 MET 49 -38.859 1.847 5.566 426 H LYS 50 HN LYS 50 -40.524 1.987 -1.203 427 HA LYS 50 HA LYS 50 -43.111 2.655 -2.078 428 1HB LYS 50 HB1 LYS 50 -40.977 0.958 -3.467 429 2HB LYS 50 HB2 LYS 50 -41.123 2.708 -3.562 430 1HG LYS 50 HG1 LYS 50 -43.473 2.334 -4.497 431 2HG LYS 50 HG2 LYS 50 -43.045 0.634 -4.648 432 1HD LYS 50 HD1 LYS 50 -42.276 1.268 -6.706 433 2HD LYS 50 HD2 LYS 50 -40.864 1.801 -5.800 434 1HE LYS 50 HE1 LYS 50 -41.472 3.706 -7.070 435 2HE LYS 50 HE2 LYS 50 -42.152 4.026 -5.480 436 1HZ LYS 50 HZ1 LYS 50 -44.098 2.625 -6.773 437 2HZ LYS 50 HZ2 LYS 50 -43.477 3.651 -7.976 438 3HZ LYS 50 HZ3 LYS 50 -44.067 4.305 -6.525 439 H SER 51 HN SER 51 -41.667 -0.600 -2.321 440 HA SER 51 HA SER 51 -43.919 -2.034 -3.046 441 1HB SER 51 HB1 SER 51 -42.043 -3.041 -0.854 442 2HB SER 51 HB2 SER 51 -41.515 -2.911 -2.543 443 HG SER 51 HG1 SER 51 -43.616 -4.024 -2.983 444 H LYS 52 HN LYS 52 -45.312 -3.457 -1.709 445 HA LYS 52 HA LYS 52 -46.657 -1.853 0.306 446 1HB LYS 52 HB1 LYS 52 -47.270 -4.775 0.066 447 2HB LYS 52 HB2 LYS 52 -47.467 -3.830 -1.407 448 1HG LYS 52 HG1 LYS 52 -48.930 -2.248 -0.210 449 2HG LYS 52 HG2 LYS 52 -48.711 -3.155 1.281 450 1HD LYS 52 HD1 LYS 52 -49.718 -5.150 0.215 451 2HD LYS 52 HD2 LYS 52 -49.936 -4.243 -1.278 452 1HE LYS 52 HE1 LYS 52 -51.211 -2.536 0.257 453 2HE LYS 52 HE2 LYS 52 -51.336 -3.896 1.366 454 1HZ LYS 52 HZ1 LYS 52 -52.025 -4.912 -1.081 455 2HZ LYS 52 HZ2 LYS 52 -52.772 -3.387 -1.033 456 3HZ LYS 52 HZ3 LYS 52 -53.082 -4.524 0.189 457 H ALA 53 HN ALA 53 -43.963 -2.466 1.009 458 HA ALA 53 HA ALA 53 -43.641 -4.636 2.776 459 1HB ALA 53 HB1 ALA 53 -42.526 -1.793 2.936 460 2HB ALA 53 HB2 ALA 53 -41.762 -3.167 2.144 461 3HB ALA 53 HB3 ALA 53 -41.923 -3.140 3.896 462 H HIS 54 HN HIS 54 -43.316 -1.786 4.594 463 HA HIS 54 HA HIS 54 -45.930 -2.091 5.908 464 1HB HIS 54 HB1 HIS 54 -44.880 -3.628 7.305 465 2HB HIS 54 HB2 HIS 54 -44.413 -2.155 8.143 466 HD1 HIS 54 HD1 HIS 54 -42.924 -5.045 6.890 467 HD2 HIS 54 HD2 HIS 54 -41.741 -1.131 6.919 468 HE1 HIS 54 HE1 HIS 54 -40.495 -5.092 6.593 469 H SER 55 HN SER 55 -46.272 0.042 5.252 470 HA SER 55 HA SER 55 -44.710 2.066 6.819 471 1HB SER 55 HB1 SER 55 -45.385 3.631 4.830 472 2HB SER 55 HB2 SER 55 -45.757 2.135 3.951 473 HG SER 55 HG1 SER 55 -43.426 2.029 5.380 474 H LYS 56 HN LYS 56 -47.336 0.554 7.187 475 HA LYS 56 HA LYS 56 -48.868 2.964 7.987 476 1HB LYS 56 HB1 LYS 56 -50.973 1.725 7.081 477 2HB LYS 56 HB2 LYS 56 -49.850 0.718 6.174 478 1HG LYS 56 HG1 LYS 56 -48.911 2.713 5.082 479 2HG LYS 56 HG2 LYS 56 -49.976 3.749 6.026 480 1HD LYS 56 HD1 LYS 56 -51.941 2.811 4.970 481 2HD LYS 56 HD2 LYS 56 -50.985 1.561 4.184 482 1HE LYS 56 HE1 LYS 56 -51.421 3.290 2.544 483 2HE LYS 56 HE2 LYS 56 -49.721 3.390 2.985 484 1HZ LYS 56 HZ1 LYS 56 -51.455 4.978 4.643 485 2HZ LYS 56 HZ2 LYS 56 -51.449 5.449 3.011 486 3HZ LYS 56 HZ3 LYS 56 -49.993 5.393 3.884 487 H LYS 57 HN LYS 57 -50.288 -0.204 7.816 488 HA LYS 57 HA LYS 57 -51.049 -0.275 10.515 489 1HB LYS 57 HB1 LYS 57 -50.434 -2.610 8.642 490 2HB LYS 57 HB2 LYS 57 -51.982 -1.781 8.762 491 1HG LYS 57 HG1 LYS 57 -52.539 -3.270 10.373 492 2HG LYS 57 HG2 LYS 57 -51.356 -2.475 11.405 493 1HD LYS 57 HD1 LYS 57 -49.589 -3.978 10.542 494 2HD LYS 57 HD2 LYS 57 -50.766 -4.767 9.499 495 1HE LYS 57 HE1 LYS 57 -51.364 -4.582 12.430 496 2HE LYS 57 HE2 LYS 57 -50.182 -5.768 11.895 497 1HZ LYS 57 HZ1 LYS 57 -52.301 -5.977 10.150 498 2HZ LYS 57 HZ2 LYS 57 -53.002 -5.841 11.691 499 3HZ LYS 57 LYS 57 -51.870 -7.068 11.378 Start of MODEL 56 Raw file had 499 H/Q atoms Start of MODEL 56 1 1H LYS 1 HT1 LYS 1 -9.095 -5.567 -9.365 2 2H LYS 1 HT2 LYS 1 -8.756 -3.971 -9.836 3 3H LYS 1 HT3 LYS 1 -8.363 -5.263 -10.867 4 HA LYS 1 HA LYS 1 -10.325 -4.135 -11.655 5 1HB LYS 1 HB1 LYS 1 -11.897 -6.163 -11.541 6 2HB LYS 1 HB2 LYS 1 -10.748 -6.904 -10.433 7 1HG LYS 1 HG1 LYS 1 -9.916 -7.742 -12.422 8 2HG LYS 1 HG2 LYS 1 -9.024 -6.226 -12.372 9 1HD LYS 1 HD1 LYS 1 -11.086 -5.230 -13.619 10 2HD LYS 1 HD2 LYS 1 -11.485 -6.906 -13.980 11 1HE LYS 1 HE1 LYS 1 -10.123 -6.517 -15.792 12 2HE LYS 1 HE2 LYS 1 -8.863 -6.931 -14.637 13 1HZ LYS 1 HZ1 LYS 1 -8.798 -4.721 -16.026 14 2HZ LYS 1 HZ2 LYS 1 -8.199 -4.794 -14.439 15 3HZ LYS 1 HZ3 LYS 1 -9.743 -4.151 -14.736 16 OH TYR 2 OH TYR 2 -8.433 1.467 -9.663 17 H TYR 2 HN TYR 2 -12.128 -3.019 -11.186 18 HA TYR 2 HA TYR 2 -12.852 -2.803 -8.320 19 1HB TYR 2 HB1 TYR 2 -14.092 -0.796 -9.042 20 2HB TYR 2 HB2 TYR 2 -13.842 -1.212 -10.736 21 HD1 TYR 2 HD2 TYR 2 -12.078 -0.263 -7.609 22 HD2 TYR 2 HD1 TYR 2 -11.790 -0.659 -11.831 23 HE1 TYR 2 HE2 TYR 2 -9.935 0.930 -7.575 24 HE2 TYR 2 HE1 TYR 2 -9.640 0.521 -11.798 25 HH TYR 2 HH TYR 2 -8.539 2.257 -9.126 26 H ILE 3 HN ILE 3 -13.879 -4.912 -8.285 27 HA ILE 3 HA ILE 3 -16.715 -4.689 -9.111 28 HB ILE 3 HB ILE 3 -15.095 -7.236 -9.541 29 1HG1 ILE 3 HG11 ILE 3 -14.138 -5.532 -10.996 30 2HG1 ILE 3 HG12 ILE 3 -15.740 -5.024 -11.521 31 1HG2 ILE 3 HG21 ILE 3 -17.637 -6.355 -10.958 32 2HG2 ILE 3 HG22 ILE 3 -17.734 -7.071 -9.352 33 3HG2 ILE 3 HG23 ILE 3 -17.049 -7.992 -10.687 34 1HD1 ILE 3 HD1 ILE 3 -16.103 -6.997 -12.750 35 2HD1 ILE 3 HD2 ILE 3 -14.888 -7.897 -11.845 36 3HD1 ILE 3 HD3 ILE 3 -14.390 -6.691 -13.027 37 H CYS 4 HN CYS 4 -17.673 -4.742 -7.130 38 HA CYS 4 HA CYS 4 -16.551 -6.048 -4.875 39 1HB CYS 4 HB1 CYS 4 -19.434 -5.364 -5.507 40 2HB CYS 4 HB2 CYS 4 -18.318 -4.394 -4.592 41 H GLU 5 HN GLU 5 -16.026 -8.100 -4.944 42 HA GLU 5 HA GLU 5 -17.211 -10.136 -6.457 43 1HB GLU 5 HB1 GLU 5 -16.249 -11.639 -4.523 44 2HB GLU 5 HB2 GLU 5 -15.660 -10.124 -3.847 45 1HG GLU 5 HG1 GLU 5 -14.391 -9.653 -5.877 46 2HG GLU 5 HG2 GLU 5 -15.079 -11.062 -6.680 47 H GLU 6 HN GLU 6 -18.368 -8.664 -3.550 48 HA GLU 6 HA GLU 6 -20.099 -10.880 -2.852 49 1HB GLU 6 HB1 GLU 6 -20.502 -8.052 -1.877 50 2HB GLU 6 HB2 GLU 6 -19.088 -8.947 -1.339 51 1HG GLU 6 HG1 GLU 6 -20.573 -10.787 -0.557 52 2HG GLU 6 HG2 GLU 6 -21.978 -9.843 -1.049 53 H CYS 7 HN CYS 7 -20.861 -7.503 -3.722 54 HA CYS 7 HA CYS 7 -23.545 -8.324 -4.569 55 1HB CYS 7 HB1 CYS 7 -23.890 -5.983 -5.044 56 2HB CYS 7 HB2 CYS 7 -22.181 -5.674 -5.125 57 H GLY 8 HN GLY 8 -20.727 -6.877 -6.149 58 1HA GLY 8 HA1 GLY 8 -21.636 -8.097 -8.723 59 2HA GLY 8 HA2 GLY 8 -19.946 -7.844 -8.298 60 H ILE 9 HN ILE 9 -21.036 -5.203 -7.043 61 HA ILE 9 HA ILE 9 -21.989 -3.563 -9.129 62 HB ILE 9 HB ILE 9 -21.747 -3.063 -6.576 63 1HG1 ILE 9 HG11 ILE 9 -21.418 -1.210 -8.885 64 2HG1 ILE 9 HG12 ILE 9 -21.122 -0.540 -7.285 65 1HG2 ILE 9 HG21 ILE 9 -19.101 -1.847 -7.506 66 2HG2 ILE 9 HG22 ILE 9 -19.161 -3.440 -6.762 67 3HG2 ILE 9 HG23 ILE 9 -19.687 -2.031 -5.862 68 1HD1 ILE 9 HD1 ILE 9 -23.517 -0.334 -7.968 69 2HD1 ILE 9 HD2 ILE 9 -23.320 -1.314 -6.518 70 3HD1 ILE 9 HD3 ILE 9 -23.613 -2.090 -8.072 71 NH1 ARG 10 NH1 ARG 10 -15.484 -4.494 -15.936 72 NH2 ARG 10 NH2 ARG 10 -16.709 -4.815 -17.840 73 H ARG 10 HN ARG 10 -21.072 -2.799 -10.906 74 HA ARG 10 HA ARG 10 -18.139 -3.164 -11.232 75 1HB ARG 10 HB1 ARG 10 -20.331 -2.551 -13.270 76 2HB ARG 10 HB2 ARG 10 -19.695 -4.153 -12.928 77 1HG ARG 10 HG1 ARG 10 -17.376 -2.781 -13.407 78 2HG ARG 10 HG2 ARG 10 -18.486 -1.929 -14.476 79 1HD ARG 10 HD1 ARG 10 -19.238 -4.323 -15.215 80 2HD ARG 10 HD2 ARG 10 -17.714 -4.845 -14.500 81 HE ARG 10 HE ARG 10 -17.750 -2.706 -16.586 82 1HH1 ARG 10 HH11 ARG 10 -15.404 -4.080 -15.030 83 2HH1 ARG 10 HH12 ARG 10 -14.742 -5.059 -16.296 84 1HH2 ARG 10 HH21 ARG 10 -17.547 -4.641 -18.359 85 2HH2 ARG 10 HH22 ARG 10 -15.988 -5.386 -18.231 86 H ABA 11 HN ABU 11 -17.075 -1.401 -10.553 87 HA ABA 11 HA ABU 11 -17.900 1.226 -11.722 88 1HB ABA 11 HB1 ABU 11 -17.345 2.310 -9.608 89 2HB ABA 11 HB2 ABU 11 -16.725 0.816 -8.943 90 1HG ABA 11 HG1 ABU 11 -18.952 1.191 -8.033 91 2HG ABA 11 HG2 ABU 11 -19.032 -0.169 -9.147 92 3HG ABA 11 HG3 ABU 11 -19.612 1.414 -9.649 93 H LYS 12 HN LYS 12 -16.307 0.959 -13.317 94 HA LYS 12 HA LYS 12 -13.644 0.214 -12.982 95 1HB LYS 12 HB1 LYS 12 -13.208 1.559 -15.022 96 2HB LYS 12 HB2 LYS 12 -14.713 2.438 -14.780 97 1HG LYS 12 HG1 LYS 12 -15.959 0.276 -14.961 98 2HG LYS 12 HG2 LYS 12 -14.439 -0.542 -15.304 99 1HD LYS 12 HD1 LYS 12 -15.110 -0.106 -17.474 100 2HD LYS 12 HD2 LYS 12 -14.256 1.397 -17.147 101 1HE LYS 12 HE1 LYS 12 -16.435 2.393 -16.374 102 2HE LYS 12 HE2 LYS 12 -17.242 0.917 -16.889 103 1HZ LYS 12 HZ1 LYS 12 -16.864 3.058 -18.442 104 2HZ LYS 12 HZ2 LYS 12 -17.094 1.480 -19.028 105 3HZ LYS 12 HZ3 LYS 12 -15.523 2.110 -18.878 106 H LYS 13 HN LYS 13 -15.156 2.900 -11.581 107 HA LYS 13 HA LYS 13 -12.602 4.383 -11.362 108 1HB LYS 13 HB1 LYS 13 -14.093 6.182 -10.371 109 2HB LYS 13 HB2 LYS 13 -15.465 5.109 -10.626 110 1HG LYS 13 HG1 LYS 13 -15.544 6.285 -12.618 111 2HG LYS 13 HG2 LYS 13 -14.440 4.999 -13.096 112 1HD LYS 13 HD1 LYS 13 -12.522 6.481 -12.407 113 2HD LYS 13 HD2 LYS 13 -13.682 7.775 -12.129 114 1HE LYS 13 HE1 LYS 13 -13.205 6.338 -14.761 115 2HE LYS 13 HE2 LYS 13 -12.718 7.985 -14.378 116 1HZ LYS 13 HZ1 LYS 13 -14.969 8.654 -14.216 117 2HZ LYS 13 HZ2 LYS 13 -15.530 7.055 -14.327 118 3HZ LYS 13 HZ3 LYS 13 -14.806 7.796 -15.673 119 HA PRO 14 HA PRO 14 -12.006 2.797 -7.216 120 1HB PRO 14 HB1 PRO 14 -9.878 3.618 -6.879 121 2HB PRO 14 HB2 PRO 14 -10.596 5.098 -6.240 122 1HG PRO 14 HG1 PRO 14 -9.118 4.860 -8.656 123 2HG PRO 14 HG2 PRO 14 -10.065 6.261 -8.150 124 1HD PRO 14 HD1 PRO 14 -11.485 5.829 -9.895 125 2HD PRO 14 HD2 PRO 14 -10.664 4.289 -10.222 126 H SER 15 HN SER 15 -12.180 6.341 -6.900 127 HA SER 15 HA SER 15 -13.392 6.699 -4.510 128 1HB SER 15 HB1 SER 15 -12.986 8.538 -6.205 129 2HB SER 15 HB2 SER 15 -14.612 8.666 -5.505 130 HG SER 15 HG1 SER 15 -15.168 7.142 -7.314 131 H MET 16 HN MET 16 -15.066 5.446 -7.355 132 HA MET 16 HA MET 16 -17.662 5.451 -6.040 133 1HB MET 16 HB1 MET 16 -18.156 3.818 -8.033 134 2HB MET 16 HB2 MET 16 -16.527 4.218 -8.572 135 1HG MET 16 HG1 MET 16 -18.113 5.712 -9.635 136 2HG MET 16 HG2 MET 16 -17.095 6.604 -8.538 137 1HE MET 16 HE1 MET 16 -20.493 6.049 -9.863 138 2HE MET 16 HE2 MET 16 -19.627 7.579 -10.005 139 3HE MET 16 HE3 MET 16 -21.157 7.510 -9.132 140 H LEU 17 HN LEU 17 -15.556 2.759 -7.130 141 HA LEU 17 HA LEU 17 -16.935 0.751 -5.686 142 1HB LEU 17 HB1 LEU 17 -13.921 0.767 -6.057 143 2HB LEU 17 HB2 LEU 17 -14.970 0.609 -7.443 144 HG LEU 17 HG LEU 17 -14.214 -1.606 -6.559 145 1HD1 LEU 17 HD11 LEU 17 -15.956 -1.082 -4.148 146 2HD1 LEU 17 HD12 LEU 17 -14.232 -0.755 -4.136 147 3HD1 LEU 17 HD13 LEU 17 -14.816 -2.390 -4.410 148 1HD2 LEU 17 HD21 LEU 17 -16.234 -2.663 -6.969 149 2HD2 LEU 17 HD22 LEU 17 -16.617 -1.062 -7.577 150 3HD2 LEU 17 HD23 LEU 17 -17.163 -1.544 -5.982 151 H LYS 18 HN LYS 18 -14.013 2.545 -4.877 152 HA LYS 18 HA LYS 18 -13.354 1.707 -2.386 153 1HB LYS 18 HB1 LYS 18 -13.753 4.671 -3.024 154 2HB LYS 18 HB2 LYS 18 -12.451 3.724 -3.725 155 1HG LYS 18 HG1 LYS 18 -11.529 4.798 -1.784 156 2HG LYS 18 HG2 LYS 18 -11.745 3.106 -1.368 157 1HD LYS 18 HD1 LYS 18 -13.464 3.547 0.121 158 2HD LYS 18 HD2 LYS 18 -14.028 4.952 -0.774 159 1HE LYS 18 HE1 LYS 18 -12.869 5.431 1.458 160 2HE LYS 18 HE2 LYS 18 -12.273 6.326 0.067 161 1HZ LYS 18 HZ1 LYS 18 -10.956 4.345 1.679 162 2HZ LYS 18 HZ2 LYS 18 -10.298 5.566 0.698 163 3HZ LYS 18 HZ3 LYS 18 -10.777 4.089 0.010 164 H LYS 19 HN LYS 19 -15.853 4.201 -2.948 165 HA LYS 19 HA LYS 19 -16.700 4.245 -0.226 166 1HB LYS 19 HB1 LYS 19 -18.287 4.939 -2.741 167 2HB LYS 19 HB2 LYS 19 -17.194 6.046 -1.917 168 1HG LYS 19 HG1 LYS 19 -18.616 5.547 0.198 169 2HG LYS 19 HG2 LYS 19 -19.808 4.903 -0.924 170 1HD LYS 19 HD1 LYS 19 -20.505 7.106 -0.893 171 2HD LYS 19 HD2 LYS 19 -19.308 7.219 -2.180 172 1HE LYS 19 HE1 LYS 19 -18.935 9.014 -0.552 173 2HE LYS 19 HE2 LYS 19 -17.595 7.877 -0.494 174 1HZ LYS 19 HZ1 LYS 19 -18.374 6.947 1.479 175 2HZ LYS 19 HZ2 LYS 19 -19.915 7.645 1.319 176 3HZ LYS 19 HZ3 LYS 19 -18.576 8.620 1.696 177 H HIS 20 HN HIS 20 -17.797 2.427 -3.044 178 HA HIS 20 HA HIS 20 -20.147 1.321 -1.912 179 1HB HIS 20 HB1 HIS 20 -18.192 0.100 -3.898 180 2HB HIS 20 HB2 HIS 20 -19.616 1.045 -4.314 181 HD1 HIS 20 HD1 HIS 20 -21.650 -0.393 -4.566 182 HD2 HIS 20 HD2 HIS 20 -18.770 -2.348 -2.456 183 HE1 HIS 20 HE1 HIS 20 -22.541 -2.640 -4.175 184 H ILE 21 HN ILE 21 -16.814 0.036 -1.934 185 HA ILE 21 HA ILE 21 -17.464 -2.332 -0.508 186 HB ILE 21 HB ILE 21 -15.168 -1.461 -1.671 187 1HG1 ILE 21 HG11 ILE 21 -15.369 -3.367 0.692 188 2HG1 ILE 21 HG12 ILE 21 -13.971 -3.263 -0.368 189 1HG2 ILE 21 HG21 ILE 21 -14.908 0.200 0.335 190 2HG2 ILE 21 HG22 ILE 21 -13.509 -0.767 -0.061 191 3HG2 ILE 21 HG23 ILE 21 -14.525 -1.205 1.305 192 1HD1 ILE 21 HD1 ILE 21 -16.162 -3.488 -2.117 193 2HD1 ILE 21 HD2 ILE 21 -16.515 -4.613 -0.811 194 3HD1 ILE 21 HD3 ILE 21 -15.012 -4.757 -1.715 195 NH1 ARG 22 NH1 ARG 22 -17.192 4.924 4.999 196 NH2 ARG 22 NH2 ARG 22 -15.300 6.204 4.928 197 H ARG 22 HN ARG 22 -16.865 0.943 0.580 198 HA ARG 22 HA ARG 22 -16.627 0.216 3.392 199 1HB ARG 22 HB1 ARG 22 -17.118 2.733 3.686 200 2HB ARG 22 HB2 ARG 22 -17.256 2.828 1.935 201 1HG ARG 22 HG1 ARG 22 -14.971 2.206 1.620 202 2HG ARG 22 HG2 ARG 22 -14.810 1.651 3.279 203 1HD ARG 22 HD1 ARG 22 -15.303 4.530 2.448 204 2HD ARG 22 HD2 ARG 22 -13.753 3.872 2.969 205 HE ARG 22 HE ARG 22 -14.937 3.360 5.178 206 1HH1 ARG 22 HH11 ARG 22 -17.624 4.027 4.898 207 2HH1 ARG 22 HH12 ARG 22 -17.746 5.720 5.246 208 1HH2 ARG 22 HH21 ARG 22 -14.315 6.266 4.774 209 2HH2 ARG 22 HH22 ARG 22 -15.821 7.021 5.173 210 H THR 23 HN THR 23 -19.278 0.617 1.226 211 HA THR 23 HA THR 23 -21.239 1.327 3.212 212 HB THR 23 HB THR 23 -21.639 -0.216 0.571 213 HG1 THR 23 HG1 THR 23 -21.834 1.863 -0.235 214 1HG2 THR 23 HG21 THR 23 -23.454 1.165 2.576 215 2HG2 THR 23 HG22 THR 23 -23.825 -0.192 1.520 216 3HG2 THR 23 HG23 THR 23 -23.796 1.444 0.872 217 H HIS 24 HN HIS 24 -19.640 -1.642 2.475 218 HA HIS 24 HA HIS 24 -21.738 -3.347 3.609 219 1HB HIS 24 HB1 HIS 24 -19.734 -5.038 3.628 220 2HB HIS 24 HB2 HIS 24 -18.827 -3.771 2.807 221 HD1 HIS 24 HD1 HIS 24 -22.030 -5.650 2.279 222 HD2 HIS 24 HD2 HIS 24 -19.194 -3.702 0.094 223 HE1 HIS 24 HE1 HIS 24 -22.631 -6.033 -0.082 224 H THR 25 HN THR 25 -20.236 -1.052 5.087 225 HA THR 25 HA THR 25 -19.253 -2.604 7.417 226 HB THR 25 HB THR 25 -18.500 -0.261 8.152 227 HG1 THR 25 HG1 THR 25 -18.790 1.131 6.118 228 1HG2 THR 25 HG21 THR 25 -16.994 0.193 6.123 229 2HG2 THR 25 HG22 THR 25 -17.849 -1.094 5.280 230 3HG2 THR 25 HG23 THR 25 -16.881 -1.465 6.703 231 H ASP 26 HN ASP 26 -20.337 0.487 8.105 232 HA ASP 26 HA ASP 26 -23.062 -0.290 8.843 233 1HB ASP 26 HB1 ASP 26 -22.545 0.483 11.281 234 2HB ASP 26 HB2 ASP 26 -20.846 0.274 10.865 235 H VAL 27 HN VAL 27 -21.710 1.582 7.149 236 HA VAL 27 HA VAL 27 -22.294 4.187 8.448 237 HB VAL 27 HB VAL 27 -20.138 3.940 7.273 238 1HG1 VAL 27 HG11 VAL 27 -21.779 3.366 4.787 239 2HG1 VAL 27 HG12 VAL 27 -20.904 2.156 5.703 240 3HG1 VAL 27 HG13 VAL 27 -20.025 3.437 4.887 241 1HG2 VAL 27 HG21 VAL 27 -21.993 5.987 6.838 242 2HG2 VAL 27 HG22 VAL 27 -21.382 5.618 5.229 243 3HG2 VAL 27 HG23 VAL 27 -20.265 6.071 6.510 244 NH1 ARG 28 NH1 ARG 28 -25.843 -2.670 4.363 245 NH2 ARG 28 NH2 ARG 28 -24.425 -2.921 6.136 246 H ARG 28 HN ARG 28 -24.537 2.725 7.978 247 HA ARG 28 HA ARG 28 -25.794 4.026 5.597 248 1HB ARG 28 HB1 ARG 28 -27.506 2.112 5.958 249 2HB ARG 28 HB2 ARG 28 -26.333 1.427 7.074 250 1HG ARG 28 HG1 ARG 28 -24.629 1.522 5.217 251 2HG ARG 28 HG2 ARG 28 -25.922 1.992 4.125 252 1HD ARG 28 HD1 ARG 28 -26.234 -0.243 3.822 253 2HD ARG 28 HD2 ARG 28 -26.998 -0.209 5.410 254 HE ARG 28 HE ARG 28 -24.219 -0.468 5.847 255 1HH1 ARG 28 HH11 ARG 28 -26.338 -2.063 3.741 256 2HH1 ARG 28 HH12 ARG 28 -25.926 -3.661 4.263 257 1HH2 ARG 28 HH21 ARG 28 -23.857 -2.501 6.844 258 2HH2 ARG 28 HH22 ARG 28 -24.483 -3.917 6.067 259 HA PRO 29 HA PRO 29 -27.691 5.952 9.376 260 1HB PRO 29 HB1 PRO 29 -27.136 8.160 9.098 261 2HB PRO 29 HB2 PRO 29 -28.271 8.292 7.754 262 1HG PRO 29 HG1 PRO 29 -25.366 8.157 7.639 263 2HG PRO 29 HG2 PRO 29 -26.496 8.394 6.305 264 1HD PRO 29 HD1 PRO 29 -26.225 6.239 5.632 265 2HD PRO 29 HD2 PRO 29 -24.979 6.041 6.874 266 OH TYR 30 OH TYR 30 -29.906 10.690 2.828 267 H TYR 30 HN TYR 30 -28.829 5.469 6.126 268 HA TYR 30 HA TYR 30 -31.581 6.266 6.762 269 1HB TYR 30 HB1 TYR 30 -32.043 5.195 4.482 270 2HB TYR 30 HB2 TYR 30 -30.341 4.778 4.397 271 HD1 TYR 30 HD1 TYR 30 -32.557 7.731 4.998 272 HD2 TYR 30 HD2 TYR 30 -28.852 6.331 3.442 273 HE1 TYR 30 HE1 TYR 30 -32.067 9.975 4.140 274 HE2 TYR 30 HE2 TYR 30 -28.361 8.577 2.593 275 HH TYR 30 HH TYR 30 -30.238 10.742 1.929 276 H HIS 31 HN HIS 31 -32.209 4.983 8.509 277 HA HIS 31 HA HIS 31 -32.219 2.024 8.080 278 1HB HIS 31 HB1 HIS 31 -32.646 1.885 10.505 279 2HB HIS 31 HB2 HIS 31 -32.892 3.626 10.597 280 HD1 HIS 31 HD1 HIS 31 -30.192 1.188 10.070 281 HD2 HIS 31 HD2 HIS 31 -30.578 5.164 10.765 282 HE1 HIS 31 HE1 HIS 31 -27.935 1.964 10.506 283 H CYS 32 HN CYS 32 -34.107 0.861 7.965 284 HA CYS 32 HA CYS 32 -36.506 2.240 7.218 285 1HB CYS 32 HB1 CYS 32 -35.826 -0.612 7.990 286 2HB CYS 32 HB2 CYS 32 -36.279 0.004 6.422 287 H THR 33 HN THR 33 -38.510 2.360 8.353 288 HA THR 33 HA THR 33 -38.113 2.854 11.216 289 HB THR 33 HB THR 33 -40.778 2.980 9.705 290 HG1 THR 33 HG1 THR 33 -39.620 4.274 8.479 291 1HG2 THR 33 HG21 THR 33 -39.806 5.119 11.557 292 2HG2 THR 33 HG22 THR 33 -40.109 3.576 12.348 293 3HG2 THR 33 HG23 THR 33 -41.405 4.388 11.474 294 OH TYR 34 OH TYR 34 -44.716 2.082 9.471 295 H TYR 34 HN TYR 34 -38.255 0.082 9.824 296 HA TYR 34 HA TYR 34 -39.888 -1.134 11.988 297 1HB TYR 34 HB1 TYR 34 -40.961 -2.678 10.357 298 2HB TYR 34 HB2 TYR 34 -40.091 -1.910 9.034 299 HD1 TYR 34 HD2 TYR 34 -40.628 0.455 8.410 300 HD2 TYR 34 HD1 TYR 34 -42.920 -1.641 11.316 301 HE1 TYR 34 HE2 TYR 34 -42.432 2.097 8.171 302 HE2 TYR 34 HE1 TYR 34 -44.725 0.002 11.071 303 HH TYR 34 HH TYR 34 -44.320 2.954 9.408 304 H CYS 35 HN CYS 35 -38.055 -2.104 9.103 305 HA CYS 35 HA CYS 35 -36.944 -4.429 10.430 306 1HB CYS 35 HB1 CYS 35 -35.727 -4.746 8.365 307 2HB CYS 35 HB2 CYS 35 -35.888 -3.068 7.934 308 H ASN 36 HN ASN 36 -34.541 -4.778 10.379 309 HA ASN 36 HA ASN 36 -33.251 -2.445 11.692 310 1HB ASN 36 HB1 ASN 36 -32.137 -5.276 11.495 311 2HB ASN 36 HB2 ASN 36 -33.354 -4.866 12.700 312 1HD2 ASN 36 HD21 ASN 36 -31.954 -5.006 14.539 313 2HD2 ASN 36 HD22 ASN 36 -30.660 -3.938 14.791 314 H PHE 37 HN PHE 37 -33.620 -3.316 8.698 315 HA PHE 37 HA PHE 37 -30.821 -3.430 7.814 316 1HB PHE 37 HB1 PHE 37 -33.138 -2.902 5.951 317 2HB PHE 37 HB2 PHE 37 -33.041 -4.480 6.730 318 HD1 PHE 37 HD2 PHE 37 -30.883 -5.820 6.477 319 HD2 PHE 37 HD1 PHE 37 -31.702 -2.363 4.137 320 HE1 PHE 37 HE2 PHE 37 -29.181 -6.516 4.848 321 HE2 PHE 37 HE1 PHE 37 -29.997 -3.058 2.512 322 HZ PHE 37 HZ PHE 37 -28.736 -5.135 2.867 323 H SER 38 HN SER 38 -29.934 -1.846 6.340 324 HA SER 38 HA SER 38 -31.275 0.780 6.343 325 1HB SER 38 HB1 SER 38 -28.411 0.459 7.344 326 2HB SER 38 HB2 SER 38 -29.799 0.577 8.433 327 HG SER 38 HG1 SER 38 -29.481 2.391 6.309 328 H PHE 39 HN PHE 39 -30.063 2.367 5.015 329 HA PHE 39 HA PHE 39 -28.412 1.035 2.916 330 1HB PHE 39 HB1 PHE 39 -29.762 2.041 1.208 331 2HB PHE 39 HB2 PHE 39 -30.506 3.157 2.351 332 HD1 PHE 39 HD2 PHE 39 -32.037 2.224 4.138 333 HD2 PHE 39 HD1 PHE 39 -30.697 -0.158 0.881 334 HE1 PHE 39 HE2 PHE 39 -33.847 0.627 4.568 335 HE2 PHE 39 HE1 PHE 39 -32.513 -1.759 1.312 336 HZ PHE 39 HZ PHE 39 -34.087 -1.367 3.159 337 H LYS 40 HN LYS 40 -27.162 2.560 1.626 338 HA LYS 40 HA LYS 40 -26.084 4.702 3.334 339 1HB LYS 40 HB1 LYS 40 -25.262 3.481 0.656 340 2HB LYS 40 HB2 LYS 40 -24.506 3.212 2.210 341 1HG LYS 40 HG1 LYS 40 -24.511 5.831 0.666 342 2HG LYS 40 HG2 LYS 40 -23.138 4.764 0.902 343 1HD LYS 40 HD1 LYS 40 -23.779 5.095 3.469 344 2HD LYS 40 HD2 LYS 40 -24.450 6.598 2.858 345 1HE LYS 40 HE1 LYS 40 -22.150 7.024 3.472 346 2HE LYS 40 HE2 LYS 40 -22.243 7.030 1.715 347 1HZ LYS 40 HZ1 LYS 40 -21.464 4.751 1.696 348 2HZ LYS 40 HZ2 LYS 40 -21.377 4.742 3.392 349 3HZ LYS 40 HZ3 LYS 40 -20.356 5.760 2.493 350 H THR 41 HN THR 41 -28.317 4.383 0.792 351 HA THR 41 HA THR 41 -28.203 7.340 0.338 352 HB THR 41 HB THR 41 -28.586 7.000 -2.031 353 HG1 THR 41 HG1 THR 41 -29.795 4.828 -0.953 354 1HG2 THR 41 HG21 THR 41 -26.285 6.016 -1.136 355 2HG2 THR 41 HG22 THR 41 -26.816 5.477 -2.725 356 3HG2 THR 41 HG23 THR 41 -27.054 4.444 -1.319 357 H LYS 42 HN LYS 42 -30.176 8.336 -0.209 358 HA LYS 42 HA LYS 42 -32.400 7.288 1.286 359 1HB LYS 42 HB1 LYS 42 -32.074 9.688 -0.567 360 2HB LYS 42 HB2 LYS 42 -32.052 9.705 1.192 361 1HG LYS 42 HG1 LYS 42 -34.441 8.724 1.050 362 2HG LYS 42 HG2 LYS 42 -34.403 9.205 -0.644 363 1HD LYS 42 HD1 LYS 42 -33.659 11.528 0.238 364 2HD LYS 42 HD2 LYS 42 -34.220 10.963 1.807 365 1HE LYS 42 HE1 LYS 42 -36.444 10.462 0.809 366 2HE LYS 42 HE2 LYS 42 -35.877 11.080 -0.737 367 1HZ LYS 42 HZ1 LYS 42 -36.062 13.187 -0.063 368 2HZ LYS 42 HZ2 LYS 42 -35.499 12.863 1.506 369 3HZ LYS 42 HZ3 LYS 42 -37.120 12.553 1.105 370 H GLY 43 HN GLY 43 -31.349 7.080 -1.969 371 1HA GLY 43 HA1 GLY 43 -32.310 6.024 -3.835 372 2HA GLY 43 HA2 GLY 43 -33.830 6.756 -3.323 373 H ASN 44 HN ASN 44 -31.651 4.160 -2.227 374 HA ASN 44 HA ASN 44 -33.398 2.021 -2.615 375 1HB ASN 44 HB1 ASN 44 -32.085 1.004 -0.601 376 2HB ASN 44 HB2 ASN 44 -31.229 2.538 -0.547 377 1HD2 ASN 44 HD21 ASN 44 -29.218 2.084 -1.463 378 2HD2 ASN 44 HD22 ASN 44 -28.993 1.327 -2.966 379 H LEU 45 HN LEU 45 -33.269 4.308 0.050 380 HA LEU 45 HA LEU 45 -34.965 2.938 1.862 381 1HB LEU 45 HB1 LEU 45 -35.048 5.948 1.409 382 2HB LEU 45 HB2 LEU 45 -33.614 5.197 2.089 383 HG LEU 45 HG LEU 45 -35.138 6.046 3.861 384 1HD1 LEU 45 HD11 LEU 45 -37.234 5.560 2.424 385 2HD1 LEU 45 HD12 LEU 45 -37.356 5.278 4.155 386 3HD1 LEU 45 HD13 LEU 45 -37.142 3.924 3.057 387 1HD2 LEU 45 HD21 LEU 45 -34.726 4.274 5.268 388 2HD2 LEU 45 HD22 LEU 45 -33.772 3.734 3.899 389 3HD2 LEU 45 HD23 LEU 45 -35.377 3.079 4.156 390 H THR 46 HN THR 46 -35.830 5.498 -0.455 391 HA THR 46 HA THR 46 -38.617 5.344 -0.144 392 HB THR 46 HB THR 46 -36.976 5.899 -2.692 393 HG1 THR 46 HG1 THR 46 -37.764 8.071 -1.779 394 1HG2 THR 46 HG21 THR 46 -39.339 7.482 -2.541 395 2HG2 THR 46 HG22 THR 46 -39.881 5.856 -2.135 396 3HG2 THR 46 HG23 THR 46 -39.074 6.157 -3.670 397 H LYS 47 HN LYS 47 -36.436 3.313 -1.997 398 HA LYS 47 HA LYS 47 -38.536 1.924 -3.429 399 1HB LYS 47 HB1 LYS 47 -35.647 1.179 -2.775 400 2HB LYS 47 HB2 LYS 47 -36.230 1.896 -4.272 401 1HG LYS 47 HG1 LYS 47 -37.778 -0.204 -4.396 402 2HG LYS 47 HG2 LYS 47 -36.659 -0.901 -3.230 403 1HD LYS 47 HD1 LYS 47 -34.786 -0.184 -4.846 404 2HD LYS 47 HD2 LYS 47 -36.061 0.078 -6.030 405 1HE LYS 47 HE1 LYS 47 -36.817 -2.269 -5.713 406 2HE LYS 47 HE2 LYS 47 -35.506 -2.525 -4.568 407 1HZ LYS 47 HZ1 LYS 47 -34.420 -3.206 -6.379 408 2HZ LYS 47 HZ2 LYS 47 -34.180 -1.549 -6.664 409 3HZ LYS 47 HZ3 LYS 47 -35.438 -2.373 -7.453 410 H HIS 48 HN HIS 48 -36.753 1.259 -0.432 411 HA HIS 48 HA HIS 48 -38.028 -1.321 -0.052 412 1HB HIS 48 HB1 HIS 48 -36.541 0.539 1.870 413 2HB HIS 48 HB2 HIS 48 -35.874 -0.863 1.039 414 HD1 HIS 48 HD1 HIS 48 -37.115 -3.150 1.776 415 HD2 HIS 48 HD2 HIS 48 -37.666 -0.016 4.341 416 HE1 HIS 48 HE1 HIS 48 -37.916 -4.149 3.862 417 H MET 49 HN MET 49 -39.035 1.895 0.425 418 HA MET 49 HA MET 49 -41.063 1.085 2.447 419 1HB MET 49 HB1 MET 49 -41.558 3.660 2.279 420 2HB MET 49 HB2 MET 49 -40.053 3.743 1.371 421 1HG MET 49 HG1 MET 49 -39.417 4.132 3.604 422 2HG MET 49 HG2 MET 49 -38.975 2.476 3.286 423 1HE MET 49 HE1 MET 49 -38.474 1.941 5.504 424 2HE MET 49 HE2 MET 49 -39.538 1.968 6.908 425 3HE MET 49 HE3 MET 49 -38.903 3.478 6.255 426 H LYS 50 HN LYS 50 -40.796 2.395 -0.828 427 HA LYS 50 HA LYS 50 -43.532 2.883 -1.322 428 1HB LYS 50 HB1 LYS 50 -41.630 1.643 -3.356 429 2HB LYS 50 HB2 LYS 50 -41.482 3.323 -2.853 430 1HG LYS 50 HG1 LYS 50 -43.587 3.906 -3.751 431 2HG LYS 50 HG2 LYS 50 -44.130 2.233 -3.801 432 1HD LYS 50 HD1 LYS 50 -41.688 2.826 -5.380 433 2HD LYS 50 HD2 LYS 50 -43.170 3.562 -5.976 434 1HE LYS 50 HE1 LYS 50 -42.734 1.259 -6.908 435 2HE LYS 50 HE2 LYS 50 -44.276 1.406 -6.077 436 1HZ LYS 50 HZ1 LYS 50 -42.922 -0.605 -5.525 437 2HZ LYS 50 HZ2 LYS 50 -43.429 0.318 -4.192 438 3HZ LYS 50 HZ3 LYS 50 -41.826 0.426 -4.741 439 H SER 51 HN SER 51 -41.692 -0.110 -1.926 440 HA SER 51 HA SER 51 -43.668 -1.724 -2.991 441 1HB SER 51 HB1 SER 51 -41.944 -2.763 -0.701 442 2HB SER 51 HB2 SER 51 -41.210 -2.324 -2.256 443 HG SER 51 HG1 SER 51 -43.354 -3.601 -2.901 444 H LYS 52 HN LYS 52 -44.992 -3.424 -1.927 445 HA LYS 52 HA LYS 52 -46.728 -2.186 0.040 446 1HB LYS 52 HB1 LYS 52 -47.818 -3.664 -1.491 447 2HB LYS 52 HB2 LYS 52 -47.747 -4.609 -0.008 448 1HG LYS 52 HG1 LYS 52 -45.442 -5.434 -0.950 449 2HG LYS 52 HG2 LYS 52 -46.067 -4.869 -2.495 450 1HD LYS 52 HD1 LYS 52 -48.124 -6.261 -2.108 451 2HD LYS 52 HD2 LYS 52 -47.368 -6.903 -0.653 452 1HE LYS 52 HE1 LYS 52 -46.054 -7.044 -3.380 453 2HE LYS 52 HE2 LYS 52 -47.086 -8.324 -2.756 454 1HZ LYS 52 HZ1 LYS 52 -44.404 -7.561 -1.974 455 2HZ LYS 52 HZ2 LYS 52 -45.157 -9.082 -1.946 456 3HZ LYS 52 HZ3 LYS 52 -45.447 -7.968 -0.698 457 H ALA 53 HN ALA 53 -43.854 -2.900 0.731 458 HA ALA 53 HA ALA 53 -43.730 -5.021 2.574 459 1HB ALA 53 HB1 ALA 53 -41.725 -3.751 1.924 460 2HB ALA 53 HB2 ALA 53 -41.908 -3.621 3.670 461 3HB ALA 53 HB3 ALA 53 -42.380 -2.279 2.634 462 H HIS 54 HN HIS 54 -43.207 -2.109 4.270 463 HA HIS 54 HA HIS 54 -45.827 -2.266 5.634 464 1HB HIS 54 HB1 HIS 54 -44.706 -3.685 7.118 465 2HB HIS 54 HB2 HIS 54 -44.286 -2.133 7.833 466 HD1 HIS 54 HD1 HIS 54 -42.746 -5.038 6.445 467 HD2 HIS 54 HD2 HIS 54 -41.621 -1.129 6.859 468 HE1 HIS 54 HE1 HIS 54 -40.303 -5.029 6.235 469 H SER 55 HN SER 55 -46.136 -0.185 4.726 470 HA SER 55 HA SER 55 -44.943 1.930 6.403 471 1HB SER 55 HB1 SER 55 -44.751 1.878 3.342 472 2HB SER 55 HB2 SER 55 -43.394 1.900 4.486 473 HG SER 55 HG1 SER 55 -45.425 3.869 4.210 474 H LYS 56 HN LYS 56 -47.100 1.195 3.689 475 HA LYS 56 HA LYS 56 -48.864 3.440 4.546 476 1HB LYS 56 HB1 LYS 56 -50.028 2.883 2.324 477 2HB LYS 56 HB2 LYS 56 -48.742 1.717 2.029 478 1HG LYS 56 HG1 LYS 56 -47.058 3.511 2.200 479 2HG LYS 56 HG2 LYS 56 -48.327 4.683 2.537 480 1HD LYS 56 HD1 LYS 56 -48.907 3.127 0.136 481 2HD LYS 56 HD2 LYS 56 -47.370 3.973 0.006 482 1HE LYS 56 HE1 LYS 56 -48.422 6.095 0.533 483 2HE LYS 56 HE2 LYS 56 -49.946 5.299 0.907 484 1HZ LYS 56 HZ1 LYS 56 -49.901 6.318 -1.307 485 2HZ LYS 56 HZ2 LYS 56 -50.173 4.643 -1.368 486 3HZ LYS 56 HZ3 LYS 56 -48.644 5.271 -1.757 487 H LYS 57 HN LYS 57 -50.284 0.905 2.751 488 HA LYS 57 HA LYS 57 -51.168 -0.789 4.845 489 1HB LYS 57 HB1 LYS 57 -53.633 0.575 4.213 490 2HB LYS 57 HB2 LYS 57 -52.466 1.782 4.741 491 1HG LYS 57 HG1 LYS 57 -52.027 0.515 6.790 492 2HG LYS 57 HG2 LYS 57 -53.087 -0.782 6.246 493 1HD LYS 57 HD1 LYS 57 -55.030 0.563 6.458 494 2HD LYS 57 HD2 LYS 57 -54.096 2.053 6.506 495 1HE LYS 57 HE1 LYS 57 -54.960 1.339 8.760 496 2HE LYS 57 HE2 LYS 57 -53.208 1.495 8.698 497 1HZ LYS 57 HZ1 LYS 57 -53.898 -1.109 7.938 498 2HZ LYS 57 HZ2 LYS 57 -54.716 -0.746 9.381 499 3HZ LYS 57 LYS 57 -53.026 -0.602 9.303 Start of MODEL 57 Raw file had 499 H/Q atoms Start of MODEL 57 1 1H LYS 1 HT1 LYS 1 -14.520 -9.388 -11.946 2 2H LYS 1 HT2 LYS 1 -12.955 -9.016 -12.493 3 3H LYS 1 HT3 LYS 1 -13.937 -7.797 -11.832 4 HA LYS 1 HA LYS 1 -13.399 -10.118 -10.159 5 1HB LYS 1 HB1 LYS 1 -11.361 -7.978 -9.924 6 2HB LYS 1 HB2 LYS 1 -11.248 -8.855 -11.442 7 1HG LYS 1 HG1 LYS 1 -9.859 -9.999 -9.815 8 2HG LYS 1 HG2 LYS 1 -11.264 -11.010 -10.121 9 1HD LYS 1 HD1 LYS 1 -12.341 -10.222 -8.080 10 2HD LYS 1 HD2 LYS 1 -11.065 -9.039 -7.819 11 1HE LYS 1 HE1 LYS 1 -10.783 -12.060 -7.764 12 2HE LYS 1 HE2 LYS 1 -10.630 -10.963 -6.396 13 1HZ LYS 1 HZ1 LYS 1 -8.739 -11.574 -8.501 14 2HZ LYS 1 HZ2 LYS 1 -8.467 -11.108 -6.891 15 3HZ LYS 1 HZ3 LYS 1 -8.833 -9.935 -8.064 16 OH TYR 2 OH TYR 2 -8.467 -4.286 -8.713 17 H TYR 2 HN TYR 2 -13.848 -6.703 -10.764 18 HA TYR 2 HA TYR 2 -14.336 -6.211 -7.880 19 1HB TYR 2 HB1 TYR 2 -14.573 -3.833 -8.637 20 2HB TYR 2 HB2 TYR 2 -14.382 -4.360 -10.307 21 HD1 TYR 2 HD2 TYR 2 -12.664 -4.217 -7.018 22 HD2 TYR 2 HD1 TYR 2 -12.210 -4.792 -11.207 23 HE1 TYR 2 HE2 TYR 2 -10.228 -4.072 -6.774 24 HE2 TYR 2 HE1 TYR 2 -9.774 -4.662 -10.961 25 HH TYR 2 HH TYR 2 -8.071 -4.887 -9.348 26 H ILE 3 HN ILE 3 -16.201 -7.898 -8.553 27 HA ILE 3 HA ILE 3 -18.637 -6.234 -9.058 28 HB ILE 3 HB ILE 3 -18.278 -9.205 -9.664 29 1HG1 ILE 3 HG11 ILE 3 -17.492 -6.801 -11.179 30 2HG1 ILE 3 HG12 ILE 3 -18.504 -7.915 -12.091 31 1HG2 ILE 3 HG21 ILE 3 -20.348 -7.127 -10.552 32 2HG2 ILE 3 HG22 ILE 3 -20.623 -8.355 -9.321 33 3HG2 ILE 3 HG23 ILE 3 -20.360 -8.831 -10.994 34 1HD1 ILE 3 HD1 ILE 3 -16.988 -9.768 -11.583 35 2HD1 ILE 3 HD2 ILE 3 -16.015 -8.725 -10.552 36 3HD1 ILE 3 HD3 ILE 3 -16.064 -8.448 -12.290 37 H CYS 4 HN CYS 4 -19.747 -6.015 -7.198 38 HA CYS 4 HA CYS 4 -19.295 -7.613 -4.908 39 1HB CYS 4 HB1 CYS 4 -21.727 -5.997 -5.720 40 2HB CYS 4 HB2 CYS 4 -20.413 -5.457 -4.714 41 H GLU 5 HN GLU 5 -19.623 -9.686 -4.739 42 HA GLU 5 HA GLU 5 -21.248 -11.253 -6.429 43 1HB GLU 5 HB1 GLU 5 -21.077 -12.912 -4.386 44 2HB GLU 5 HB2 GLU 5 -20.054 -11.669 -3.671 45 1HG GLU 5 HG1 GLU 5 -18.582 -13.173 -4.847 46 2HG GLU 5 HG2 GLU 5 -18.693 -11.717 -5.831 47 H GLU 6 HN GLU 6 -22.125 -9.308 -3.732 48 HA GLU 6 HA GLU 6 -24.612 -10.761 -3.266 49 1HB GLU 6 HB1 GLU 6 -23.936 -8.019 -2.162 50 2HB GLU 6 HB2 GLU 6 -23.170 -9.460 -1.506 51 1HG GLU 6 HG1 GLU 6 -25.363 -10.426 -0.980 52 2HG GLU 6 HG2 GLU 6 -26.172 -9.049 -1.722 53 H CYS 7 HN CYS 7 -23.998 -7.308 -3.923 54 HA CYS 7 HA CYS 7 -26.670 -7.015 -5.047 55 1HB CYS 7 HB1 CYS 7 -26.061 -4.723 -5.404 56 2HB CYS 7 HB2 CYS 7 -24.363 -5.092 -5.419 57 H GLY 8 HN GLY 8 -23.387 -6.835 -6.365 58 1HA GLY 8 HA1 GLY 8 -24.503 -7.597 -9.030 59 2HA GLY 8 HA2 GLY 8 -22.868 -7.970 -8.494 60 H ILE 9 HN ILE 9 -22.985 -5.117 -7.258 61 HA ILE 9 HA ILE 9 -23.141 -3.249 -9.369 62 HB ILE 9 HB ILE 9 -22.949 -2.835 -6.818 63 1HG1 ILE 9 HG11 ILE 9 -22.902 -1.055 -8.593 64 2HG1 ILE 9 HG12 ILE 9 -21.148 -1.174 -8.623 65 1HG2 ILE 9 HG21 ILE 9 -19.957 -2.767 -7.439 66 2HG2 ILE 9 HG22 ILE 9 -20.713 -4.221 -6.811 67 3HG2 ILE 9 HG23 ILE 9 -20.739 -2.745 -5.868 68 1HD1 ILE 9 HD1 ILE 9 -22.725 -0.616 -6.093 69 2HD1 ILE 9 HD2 ILE 9 -22.077 0.658 -7.121 70 3HD1 ILE 9 HD3 ILE 9 -20.985 -0.466 -6.320 71 NH1 ARG 10 NH2 ARG 10 -20.176 -4.135 -16.947 72 NH2 ARG 10 NH1 ARG 10 -19.532 -6.310 -17.223 73 H ARG 10 HN ARG 10 -21.810 -2.744 -10.997 74 HA ARG 10 HA ARG 10 -19.229 -4.229 -11.160 75 1HB ARG 10 HB1 ARG 10 -20.665 -2.674 -13.356 76 2HB ARG 10 HB2 ARG 10 -21.002 -4.368 -13.016 77 1HG ARG 10 HG1 ARG 10 -18.136 -3.873 -13.208 78 2HG ARG 10 HG2 ARG 10 -18.970 -3.378 -14.677 79 1HD ARG 10 HD1 ARG 10 -19.423 -6.069 -13.349 80 2HD ARG 10 HD2 ARG 10 -18.244 -5.816 -14.636 81 HE ARG 10 HE ARG 10 -21.163 -5.830 -14.955 82 1HH1 ARG 10 HH21 ARG 10 -20.525 -3.415 -16.347 83 2HH1 ARG 10 HH22 ARG 10 -19.975 -3.934 -17.905 84 1HH2 ARG 10 HH11 ARG 10 -19.398 -7.221 -16.830 85 2HH2 ARG 10 HH12 ARG 10 -19.319 -6.145 -18.185 86 H ABA 11 HN ABU 11 -17.480 -3.131 -10.581 87 HA ABA 11 HA ABU 11 -17.281 -0.259 -11.391 88 1HB ABA 11 HB1 ABU 11 -16.250 0.242 -9.227 89 2HB ABA 11 HB2 ABU 11 -16.309 -1.440 -8.757 90 1HG ABA 11 HG1 ABU 11 -18.804 -1.363 -8.916 91 2HG ABA 11 HG2 ABU 11 -18.699 0.355 -9.279 92 3HG ABA 11 HG3 ABU 11 -18.176 -0.247 -7.709 93 H LYS 12 HN LYS 12 -15.805 -0.399 -12.950 94 HA LYS 12 HA LYS 12 -13.687 -2.271 -13.084 95 1HB LYS 12 HB1 LYS 12 -12.782 -0.732 -14.840 96 2HB LYS 12 HB2 LYS 12 -13.920 0.506 -14.323 97 1HG LYS 12 HG1 LYS 12 -15.808 -0.989 -14.872 98 2HG LYS 12 HG2 LYS 12 -14.677 -2.242 -15.372 99 1HD LYS 12 HD1 LYS 12 -14.389 0.465 -16.617 100 2HD LYS 12 HD2 LYS 12 -15.737 -0.537 -17.143 101 1HE LYS 12 HE1 LYS 12 -14.320 -2.237 -17.949 102 2HE LYS 12 HE2 LYS 12 -12.961 -1.700 -16.970 103 1HZ LYS 12 HZ1 LYS 12 -14.041 0.106 -19.010 104 2HZ LYS 12 HZ2 LYS 12 -13.049 -1.183 -19.496 105 3HZ LYS 12 HZ3 LYS 12 -12.459 -0.021 -18.406 106 H LYS 13 HN LYS 13 -13.938 -0.197 -10.650 107 HA LYS 13 HA LYS 13 -10.991 0.079 -10.473 108 1HB LYS 13 HB1 LYS 13 -11.546 2.408 -9.358 109 2HB LYS 13 HB2 LYS 13 -13.080 2.250 -10.207 110 1HG LYS 13 HG1 LYS 13 -11.882 1.980 -12.347 111 2HG LYS 13 HG2 LYS 13 -10.339 2.095 -11.508 112 1HD LYS 13 HD1 LYS 13 -12.305 4.297 -11.054 113 2HD LYS 13 HD2 LYS 13 -11.512 4.241 -12.624 114 1HE LYS 13 HE1 LYS 13 -9.324 4.332 -11.609 115 2HE LYS 13 HE2 LYS 13 -9.998 4.095 -10.001 116 1HZ LYS 13 HZ1 LYS 13 -10.025 6.291 -9.855 117 2HZ LYS 13 HZ2 LYS 13 -11.307 6.283 -10.969 118 3HZ LYS 13 HZ3 LYS 13 -9.712 6.497 -11.511 119 HA PRO 14 HA PRO 14 -11.517 -1.407 -6.333 120 1HB PRO 14 HB1 PRO 14 -9.279 -1.446 -5.770 121 2HB PRO 14 HB2 PRO 14 -9.483 0.169 -5.089 122 1HG PRO 14 HG1 PRO 14 -7.893 -0.479 -7.332 123 2HG PRO 14 HG2 PRO 14 -8.397 1.148 -6.866 124 1HD PRO 14 HD1 PRO 14 -9.604 1.215 -8.816 125 2HD PRO 14 HD2 PRO 14 -9.347 -0.519 -9.081 126 H SER 15 HN SER 15 -10.370 1.930 -5.860 127 HA SER 15 HA SER 15 -11.630 2.728 -3.606 128 1HB SER 15 HB1 SER 15 -10.423 4.408 -4.883 129 2HB SER 15 HB2 SER 15 -12.098 4.993 -4.876 130 HG SER 15 HG1 SER 15 -10.645 3.717 -6.905 131 H MET 16 HN MET 16 -13.290 2.364 -6.711 132 HA MET 16 HA MET 16 -15.829 3.274 -5.651 133 1HB MET 16 HB1 MET 16 -16.649 2.023 -7.812 134 2HB MET 16 HB2 MET 16 -14.934 1.810 -8.154 135 1HG MET 16 HG1 MET 16 -15.738 3.829 -9.236 136 2HG MET 16 HG2 MET 16 -14.590 4.228 -7.988 137 1HE MET 16 HE1 MET 16 -18.057 4.147 -9.274 138 2HE MET 16 HE2 MET 16 -19.044 5.125 -8.187 139 3HE MET 16 HE3 MET 16 -18.561 3.496 -7.713 140 H LEU 17 HN LEU 17 -14.548 0.029 -6.498 141 HA LEU 17 HA LEU 17 -16.843 -1.330 -5.407 142 1HB LEU 17 HB1 LEU 17 -14.055 -2.526 -5.573 143 2HB LEU 17 HB2 LEU 17 -14.961 -2.207 -7.033 144 HG LEU 17 HG LEU 17 -15.249 -4.563 -6.233 145 1HD1 LEU 17 HD11 LEU 17 -16.807 -3.451 -3.890 146 2HD1 LEU 17 HD12 LEU 17 -15.102 -3.857 -3.765 147 3HD1 LEU 17 HD13 LEU 17 -16.278 -5.099 -4.168 148 1HD2 LEU 17 HD21 LEU 17 -17.487 -4.693 -6.813 149 2HD2 LEU 17 HD22 LEU 17 -17.148 -3.059 -7.347 150 3HD2 LEU 17 HD23 LEU 17 -17.955 -3.325 -5.816 151 H LYS 18 HN LYS 18 -13.486 -1.097 -4.254 152 HA LYS 18 HA LYS 18 -13.608 -2.200 -1.772 153 1HB LYS 18 HB1 LYS 18 -12.282 0.333 -2.770 154 2HB LYS 18 HB2 LYS 18 -11.533 -1.194 -2.324 155 1HG LYS 18 HG1 LYS 18 -12.411 -0.661 0.075 156 2HG LYS 18 HG2 LYS 18 -12.577 0.988 -0.520 157 1HD LYS 18 HD1 LYS 18 -10.390 1.154 0.142 158 2HD LYS 18 HD2 LYS 18 -10.079 0.408 -1.421 159 1HE LYS 18 HE1 LYS 18 -10.394 -1.052 1.220 160 2HE LYS 18 HE2 LYS 18 -8.887 -0.812 0.348 161 1HZ LYS 18 HZ1 LYS 18 -9.979 -2.013 -1.547 162 2HZ LYS 18 HZ2 LYS 18 -11.214 -2.444 -0.463 163 3HZ LYS 18 HZ3 LYS 18 -9.620 -2.956 -0.182 164 H LYS 19 HN LYS 19 -14.685 1.114 -2.502 165 HA LYS 19 HA LYS 19 -15.589 1.617 0.158 166 1HB LYS 19 HB1 LYS 19 -16.674 2.855 -2.414 167 2HB LYS 19 HB2 LYS 19 -15.146 3.350 -1.694 168 1HG LYS 19 HG1 LYS 19 -17.420 3.259 0.196 169 2HG LYS 19 HG2 LYS 19 -17.570 4.471 -1.072 170 1HD LYS 19 HD1 LYS 19 -15.375 5.395 -0.494 171 2HD LYS 19 HD2 LYS 19 -15.132 4.132 0.707 172 1HE LYS 19 HE1 LYS 19 -17.445 6.093 0.780 173 2HE LYS 19 HE2 LYS 19 -15.943 6.327 1.666 174 1HZ LYS 19 HZ1 LYS 19 -17.242 3.753 2.003 175 2HZ LYS 19 HZ2 LYS 19 -18.047 5.088 2.675 176 3HZ LYS 19 HZ3 LYS 19 -16.453 4.732 3.143 177 H HIS 20 HN HIS 20 -17.136 0.356 -2.745 178 HA HIS 20 HA HIS 20 -19.806 0.332 -1.739 179 1HB HIS 20 HB1 HIS 20 -18.432 -1.493 -3.759 180 2HB HIS 20 HB2 HIS 20 -19.330 -0.031 -4.143 181 HD1 HIS 20 HD1 HIS 20 -21.735 -0.525 -4.590 182 HD2 HIS 20 HD2 HIS 20 -20.040 -3.543 -2.465 183 HE1 HIS 20 HE1 HIS 20 -23.479 -2.230 -4.370 184 H ILE 21 HN ILE 21 -17.358 -2.282 -1.837 185 HA ILE 21 HA ILE 21 -18.949 -4.215 -0.552 186 HB ILE 21 HB ILE 21 -16.442 -4.303 -1.553 187 1HG1 ILE 21 HG11 ILE 21 -17.522 -6.044 0.697 188 2HG1 ILE 21 HG12 ILE 21 -16.138 -6.473 -0.295 189 1HG2 ILE 21 HG21 ILE 21 -15.923 -4.410 1.453 190 2HG2 ILE 21 HG22 ILE 21 -15.684 -2.932 0.546 191 3HG2 ILE 21 HG23 ILE 21 -14.742 -4.351 0.152 192 1HD1 ILE 21 HD1 ILE 21 -17.587 -7.372 -1.782 193 2HD1 ILE 21 HD2 ILE 21 -18.160 -5.745 -2.128 194 3HD1 ILE 21 HD3 ILE 21 -18.967 -6.720 -0.906 195 NH1 ARG 22 NH2 ARG 22 -15.843 -0.022 6.412 196 NH2 ARG 22 NH1 ARG 22 -15.510 2.100 5.634 197 H ARG 22 HN ARG 22 -17.232 -1.479 0.776 198 HA ARG 22 HA ARG 22 -17.464 -2.399 3.527 199 1HB ARG 22 HB1 ARG 22 -17.078 0.147 3.960 200 2HB ARG 22 HB2 ARG 22 -16.923 0.293 2.214 201 1HG ARG 22 HG1 ARG 22 -15.096 -1.339 2.201 202 2HG ARG 22 HG2 ARG 22 -15.292 -1.609 3.928 203 1HD ARG 22 HD1 ARG 22 -14.896 1.217 3.066 204 2HD ARG 22 HD2 ARG 22 -13.499 0.151 2.937 205 HE ARG 22 HE ARG 22 -13.378 0.147 5.291 206 1HH1 ARG 22 HH21 ARG 22 -15.584 -0.988 6.403 207 2HH1 ARG 22 HH22 ARG 22 -16.590 0.290 7.000 208 1HH2 ARG 22 HH11 ARG 22 -15.002 2.725 5.042 209 2HH2 ARG 22 HH12 ARG 22 -16.251 2.447 6.209 210 H THR 23 HN THR 23 -19.452 -0.415 1.397 211 HA THR 23 HA THR 23 -21.223 0.703 3.238 212 HB THR 23 HB THR 23 -22.268 -0.640 0.691 213 HG1 THR 23 HG1 THR 23 -21.394 1.489 -0.144 214 1HG2 THR 23 HG21 THR 23 -22.622 2.262 1.458 215 2HG2 THR 23 HG22 THR 23 -23.494 1.089 2.443 216 3HG2 THR 23 HG23 THR 23 -23.789 1.177 0.710 217 H HIS 24 HN HIS 24 -20.808 -2.642 2.405 218 HA HIS 24 HA HIS 24 -23.399 -3.450 3.518 219 1HB HIS 24 HB1 HIS 24 -22.223 -5.782 3.445 220 2HB HIS 24 HB2 HIS 24 -20.866 -4.948 2.698 221 HD1 HIS 24 HD1 HIS 24 -24.524 -5.466 2.011 222 HD2 HIS 24 HD2 HIS 24 -21.105 -4.559 -0.008 223 HE1 HIS 24 HE1 HIS 24 -25.129 -5.518 -0.389 224 H THR 25 HN THR 25 -21.219 -1.901 5.052 225 HA THR 25 HA THR 25 -20.751 -3.762 7.307 226 HB THR 25 HB THR 25 -19.454 -1.660 8.169 227 HG1 THR 25 HG1 THR 25 -20.762 -0.822 5.932 228 1HG2 THR 25 HG21 THR 25 -17.868 -3.031 7.077 229 2HG2 THR 25 HG22 THR 25 -17.935 -1.725 5.897 230 3HG2 THR 25 HG23 THR 25 -18.878 -3.191 5.643 231 H ASP 26 HN ASP 26 -20.941 -0.499 8.139 232 HA ASP 26 HA ASP 26 -23.748 -0.696 9.041 233 1HB ASP 26 HB1 ASP 26 -22.928 0.129 11.361 234 2HB ASP 26 HB2 ASP 26 -21.310 -0.332 10.841 235 H VAL 27 HN VAL 27 -22.097 0.843 7.163 236 HA VAL 27 HA VAL 27 -22.299 3.579 8.292 237 HB VAL 27 HB VAL 27 -20.202 2.970 7.150 238 1HG1 VAL 27 HG11 VAL 27 -21.947 2.397 4.741 239 2HG1 VAL 27 HG12 VAL 27 -21.143 1.186 5.723 240 3HG1 VAL 27 HG13 VAL 27 -20.190 2.319 4.779 241 1HG2 VAL 27 HG21 VAL 27 -20.025 5.008 6.163 242 2HG2 VAL 27 HG22 VAL 27 -21.722 5.218 6.581 243 3HG2 VAL 27 HG23 VAL 27 -21.274 4.631 4.983 244 NH1 ARG 28 NH1 ARG 28 -26.551 -0.025 1.485 245 NH2 ARG 28 NH2 ARG 28 -27.717 -1.426 2.863 246 H ARG 28 HN ARG 28 -24.704 2.411 7.908 247 HA ARG 28 HA ARG 28 -25.822 3.842 5.533 248 1HB ARG 28 HB1 ARG 28 -27.647 2.004 5.740 249 2HB ARG 28 HB2 ARG 28 -26.519 1.173 6.807 250 1HG ARG 28 HG1 ARG 28 -24.830 1.672 4.797 251 2HG ARG 28 HG2 ARG 28 -26.321 1.671 3.870 252 1HD ARG 28 HD1 ARG 28 -26.829 -0.550 5.177 253 2HD ARG 28 HD2 ARG 28 -25.088 -0.570 5.455 254 HE ARG 28 HE ARG 28 -24.778 -1.057 3.156 255 1HH1 ARG 28 HH11 ARG 28 -25.720 0.501 1.305 256 2HH1 ARG 28 HH12 ARG 28 -27.303 -0.015 0.826 257 1HH2 ARG 28 HH21 ARG 28 -27.761 -1.950 3.713 258 2HH2 ARG 28 HH22 ARG 28 -28.489 -1.439 2.228 259 HA PRO 29 HA PRO 29 -27.609 5.625 9.432 260 1HB PRO 29 HB1 PRO 29 -27.000 7.827 9.271 261 2HB PRO 29 HB2 PRO 29 -28.086 8.061 7.901 262 1HG PRO 29 HG1 PRO 29 -25.178 7.754 7.880 263 2HG PRO 29 HG2 PRO 29 -26.243 8.181 6.539 264 1HD PRO 29 HD1 PRO 29 -26.153 6.064 5.710 265 2HD PRO 29 HD2 PRO 29 -24.910 5.692 6.920 266 OH TYR 30 OH TYR 30 -29.290 10.715 3.230 267 H TYR 30 HN TYR 30 -28.839 5.417 6.170 268 HA TYR 30 HA TYR 30 -31.533 6.290 6.921 269 1HB TYR 30 HB1 TYR 30 -32.115 5.449 4.605 270 2HB TYR 30 HB2 TYR 30 -30.481 4.820 4.451 271 HD1 TYR 30 HD1 TYR 30 -32.265 7.999 5.293 272 HD2 TYR 30 HD2 TYR 30 -28.832 6.221 3.519 273 HE1 TYR 30 HE1 TYR 30 -31.494 10.207 4.568 274 HE2 TYR 30 HE2 TYR 30 -28.060 8.433 2.799 275 HH TYR 30 HH TYR 30 -29.148 10.685 2.282 276 H HIS 31 HN HIS 31 -31.952 4.876 8.708 277 HA HIS 31 HA HIS 31 -32.193 1.986 8.083 278 1HB HIS 31 HB1 HIS 31 -32.403 1.676 10.457 279 2HB HIS 31 HB2 HIS 31 -32.917 3.341 10.709 280 HD1 HIS 31 HD1 HIS 31 -29.867 1.444 9.880 281 HD2 HIS 31 HD2 HIS 31 -30.879 5.192 11.055 282 HE1 HIS 31 HE1 HIS 31 -27.756 2.530 10.380 283 H CYS 32 HN CYS 32 -34.113 0.877 7.980 284 HA CYS 32 HA CYS 32 -36.469 2.318 7.244 285 1HB CYS 32 HB1 CYS 32 -35.876 -0.548 8.036 286 2HB CYS 32 HB2 CYS 32 -36.299 0.071 6.461 287 H THR 33 HN THR 33 -38.480 2.483 8.358 288 HA THR 33 HA THR 33 -38.113 3.036 11.210 289 HB THR 33 HB THR 33 -40.773 3.110 9.693 290 HG1 THR 33 HG1 THR 33 -39.573 5.429 9.629 291 1HG2 THR 33 HG21 THR 33 -41.119 5.092 11.164 292 2HG2 THR 33 HG22 THR 33 -39.473 4.958 11.772 293 3HG2 THR 33 HG23 THR 33 -40.665 3.729 12.183 294 OH TYR 34 OH TYR 34 -44.818 2.160 9.582 295 H TYR 34 HN TYR 34 -38.303 0.235 9.826 296 HA TYR 34 HA TYR 34 -39.914 -0.949 12.028 297 1HB TYR 34 HB1 TYR 34 -40.972 -2.532 10.411 298 2HB TYR 34 HB2 TYR 34 -40.131 -1.749 9.080 299 HD1 TYR 34 HD2 TYR 34 -40.665 0.677 8.563 300 HD2 TYR 34 HD1 TYR 34 -42.989 -1.610 11.290 301 HE1 TYR 34 HE2 TYR 34 -42.505 2.284 8.342 302 HE2 TYR 34 HE1 TYR 34 -44.827 -0.002 11.072 303 HH TYR 34 HH TYR 34 -44.813 2.712 10.367 304 H CYS 35 HN CYS 35 -38.171 -2.022 9.130 305 HA CYS 35 HA CYS 35 -37.047 -4.329 10.442 306 1HB CYS 35 HB1 CYS 35 -35.778 -4.595 8.394 307 2HB CYS 35 HB2 CYS 35 -35.966 -2.915 7.986 308 H ASN 36 HN ASN 36 -34.600 -4.651 10.211 309 HA ASN 36 HA ASN 36 -33.300 -2.406 11.671 310 1HB ASN 36 HB1 ASN 36 -32.364 -5.302 11.338 311 2HB ASN 36 HB2 ASN 36 -33.366 -4.763 12.684 312 1HD2 ASN 36 HD21 ASN 36 -32.405 -2.909 14.019 313 2HD2 ASN 36 HD22 ASN 36 -30.718 -2.860 14.206 314 H PHE 37 HN PHE 37 -33.705 -3.296 8.642 315 HA PHE 37 HA PHE 37 -30.932 -3.328 7.708 316 1HB PHE 37 HB1 PHE 37 -33.286 -2.782 5.896 317 2HB PHE 37 HB2 PHE 37 -33.156 -4.378 6.637 318 HD1 PHE 37 HD2 PHE 37 -30.965 -5.673 6.326 319 HD2 PHE 37 HD1 PHE 37 -31.906 -2.197 4.059 320 HE1 PHE 37 HE2 PHE 37 -29.262 -6.292 4.666 321 HE2 PHE 37 HE1 PHE 37 -30.206 -2.819 2.399 322 HZ PHE 37 HZ PHE 37 -28.883 -4.866 2.703 323 H SER 38 HN SER 38 -30.266 -1.752 6.012 324 HA SER 38 HA SER 38 -31.538 0.871 6.156 325 1HB SER 38 HB1 SER 38 -28.687 0.502 7.195 326 2HB SER 38 HB2 SER 38 -30.097 0.754 8.237 327 HG SER 38 HG1 SER 38 -29.975 2.460 6.108 328 H PHE 39 HN PHE 39 -30.246 2.502 4.897 329 HA PHE 39 HA PHE 39 -28.668 1.186 2.740 330 1HB PHE 39 HB1 PHE 39 -30.001 2.303 1.078 331 2HB PHE 39 HB2 PHE 39 -30.710 3.390 2.274 332 HD1 PHE 39 HD2 PHE 39 -32.283 2.453 4.008 333 HD2 PHE 39 HD1 PHE 39 -30.936 0.101 0.723 334 HE1 PHE 39 HE2 PHE 39 -34.018 0.785 4.491 335 HE2 PHE 39 HE1 PHE 39 -32.694 -1.551 1.195 336 HZ PHE 39 HZ PHE 39 -34.227 -1.215 3.086 337 H LYS 40 HN LYS 40 -27.380 2.706 1.493 338 HA LYS 40 HA LYS 40 -26.162 4.694 3.278 339 1HB LYS 40 HB1 LYS 40 -25.480 3.646 0.490 340 2HB LYS 40 HB2 LYS 40 -24.719 3.175 1.994 341 1HG LYS 40 HG1 LYS 40 -24.571 5.919 0.698 342 2HG LYS 40 HG2 LYS 40 -23.269 4.750 0.818 343 1HD LYS 40 HD1 LYS 40 -23.848 4.891 3.413 344 2HD LYS 40 HD2 LYS 40 -24.455 6.476 2.949 345 1HE LYS 40 HE1 LYS 40 -22.151 6.641 1.663 346 2HE LYS 40 HE2 LYS 40 -21.655 5.397 2.802 347 1HZ LYS 40 HZ1 LYS 40 -21.337 6.980 4.282 348 2HZ LYS 40 HZ2 LYS 40 -22.999 7.331 4.260 349 3HZ LYS 40 HZ3 LYS 40 -21.942 8.164 3.225 350 H THR 41 HN THR 41 -28.481 4.672 0.791 351 HA THR 41 HA THR 41 -28.233 7.647 0.569 352 HB THR 41 HB THR 41 -28.616 7.525 -1.827 353 HG1 THR 41 HG1 THR 41 -29.061 5.148 -2.465 354 1HG2 THR 41 HG21 THR 41 -27.151 4.885 -1.311 355 2HG2 THR 41 HG22 THR 41 -26.346 6.423 -1.018 356 3HG2 THR 41 HG23 THR 41 -26.888 6.009 -2.641 357 H LYS 42 HN LYS 42 -30.187 8.748 0.047 358 HA LYS 42 HA LYS 42 -32.446 7.678 1.473 359 1HB LYS 42 HB1 LYS 42 -32.211 10.135 -0.325 360 2HB LYS 42 HB2 LYS 42 -31.905 10.120 1.406 361 1HG LYS 42 HG1 LYS 42 -34.400 8.964 1.267 362 2HG LYS 42 HG2 LYS 42 -34.473 10.136 -0.043 363 1HD LYS 42 HD1 LYS 42 -33.516 11.838 1.629 364 2HD LYS 42 HD2 LYS 42 -33.873 10.652 2.879 365 1HE LYS 42 HE1 LYS 42 -35.919 11.674 2.913 366 2HE LYS 42 HE2 LYS 42 -36.234 10.659 1.512 367 1HZ LYS 42 HZ1 LYS 42 -36.453 12.460 0.286 368 2HZ LYS 42 HZ2 LYS 42 -34.871 12.953 0.663 369 3HZ LYS 42 HZ3 LYS 42 -36.170 13.441 1.644 370 H GLY 43 HN GLY 43 -31.357 7.479 -1.739 371 1HA GLY 43 HA1 GLY 43 -32.393 6.714 -3.714 372 2HA GLY 43 HA2 GLY 43 -33.934 7.243 -3.041 373 H ASN 44 HN ASN 44 -31.472 4.729 -2.495 374 HA ASN 44 HA ASN 44 -33.045 2.503 -2.984 375 1HB ASN 44 HB1 ASN 44 -31.549 1.426 -1.102 376 2HB ASN 44 HB2 ASN 44 -30.794 3.014 -1.009 377 1HD2 ASN 44 HD21 ASN 44 -28.937 3.071 -2.252 378 2HD2 ASN 44 HD22 ASN 44 -28.733 2.298 -3.750 379 H LEU 45 HN LEU 45 -32.970 4.510 -0.106 380 HA LEU 45 HA LEU 45 -34.440 2.821 1.630 381 1HB LEU 45 HB1 LEU 45 -34.372 5.878 1.363 382 2HB LEU 45 HB2 LEU 45 -33.353 4.908 2.404 383 HG LEU 45 HG LEU 45 -35.020 5.788 3.855 384 1HD1 LEU 45 HD11 LEU 45 -37.446 4.791 2.479 385 2HD1 LEU 45 HD12 LEU 45 -36.620 6.079 1.620 386 3HD1 LEU 45 HD13 LEU 45 -37.156 6.332 3.273 387 1HD2 LEU 45 HD21 LEU 45 -36.145 3.059 3.156 388 2HD2 LEU 45 HD22 LEU 45 -36.080 3.838 4.731 389 3HD2 LEU 45 HD23 LEU 45 -34.600 3.271 3.968 390 H THR 46 HN THR 46 -35.567 5.327 -0.625 391 HA THR 46 HA THR 46 -38.340 5.051 -0.128 392 HB THR 46 HB THR 46 -36.742 5.853 -2.622 393 HG1 THR 46 HG1 THR 46 -37.470 7.849 -1.884 394 1HG2 THR 46 HG21 THR 46 -39.006 6.852 -3.342 395 2HG2 THR 46 HG22 THR 46 -39.770 5.873 -2.093 396 3HG2 THR 46 HG23 THR 46 -38.962 5.095 -3.451 397 H LYS 47 HN LYS 47 -36.183 3.229 -2.239 398 HA LYS 47 HA LYS 47 -38.170 1.762 -3.644 399 1HB LYS 47 HB1 LYS 47 -35.431 0.755 -2.725 400 2HB LYS 47 HB2 LYS 47 -35.665 1.779 -4.133 401 1HG LYS 47 HG1 LYS 47 -36.947 -0.953 -3.733 402 2HG LYS 47 HG2 LYS 47 -35.532 -0.647 -4.731 403 1HD LYS 47 HD1 LYS 47 -37.187 1.202 -5.790 404 2HD LYS 47 HD2 LYS 47 -38.391 0.044 -5.235 405 1HE LYS 47 HE1 LYS 47 -36.214 -0.317 -7.274 406 2HE LYS 47 HE2 LYS 47 -37.908 -0.784 -7.366 407 1HZ LYS 47 HZ1 LYS 47 -36.829 -2.775 -7.046 408 2HZ LYS 47 HZ2 LYS 47 -37.299 -2.372 -5.465 409 3HZ LYS 47 HZ3 LYS 47 -35.695 -2.122 -5.963 410 H HIS 48 HN HIS 48 -36.626 1.177 -0.518 411 HA HIS 48 HA HIS 48 -37.903 -1.386 -0.105 412 1HB HIS 48 HB1 HIS 48 -36.711 0.639 1.859 413 2HB HIS 48 HB2 HIS 48 -35.883 -0.755 1.172 414 HD1 HIS 48 HD1 HIS 48 -37.508 -3.022 1.720 415 HD2 HIS 48 HD2 HIS 48 -37.581 0.063 4.401 416 HE1 HIS 48 HE1 HIS 48 -38.326 -3.997 3.810 417 H MET 49 HN MET 49 -38.824 1.925 0.457 418 HA MET 49 HA MET 49 -41.129 1.134 2.112 419 1HB MET 49 HB1 MET 49 -41.607 3.703 1.792 420 2HB MET 49 HB2 MET 49 -40.002 3.759 1.073 421 1HG MET 49 HG1 MET 49 -39.587 4.214 3.327 422 2HG MET 49 HG2 MET 49 -39.207 2.520 3.171 423 1HE MET 49 HE1 MET 49 -39.787 0.879 4.830 424 2HE MET 49 HE2 MET 49 -40.415 1.458 6.371 425 3HE MET 49 HE3 MET 49 -39.039 2.265 5.622 426 H LYS 50 HN LYS 50 -40.393 1.745 -1.197 427 HA LYS 50 HA LYS 50 -42.960 2.533 -2.142 428 1HB LYS 50 HB1 LYS 50 -40.899 0.764 -3.549 429 2HB LYS 50 HB2 LYS 50 -40.815 2.521 -3.494 430 1HG LYS 50 HG1 LYS 50 -43.113 2.582 -4.546 431 2HG LYS 50 HG2 LYS 50 -43.000 0.837 -4.757 432 1HD LYS 50 HD1 LYS 50 -40.737 1.332 -5.932 433 2HD LYS 50 HD2 LYS 50 -41.310 2.994 -6.031 434 1HE LYS 50 HE1 LYS 50 -43.472 1.985 -7.040 435 2HE LYS 50 HE2 LYS 50 -42.528 0.518 -7.263 436 1HZ LYS 50 HZ1 LYS 50 -42.640 2.305 -9.120 437 2HZ LYS 50 HZ2 LYS 50 -41.179 1.500 -8.798 438 3HZ LYS 50 HZ3 LYS 50 -41.432 3.070 -8.202 439 H SER 51 HN SER 51 -41.514 -0.695 -1.801 440 HA SER 51 HA SER 51 -43.741 -2.153 -2.804 441 1HB SER 51 HB1 SER 51 -41.671 -2.926 -0.671 442 2HB SER 51 HB2 SER 51 -41.543 -3.239 -2.413 443 HG SER 51 HG1 SER 51 -42.650 -4.812 -0.727 444 H LYS 52 HN LYS 52 -45.218 -3.515 -1.521 445 HA LYS 52 HA LYS 52 -46.550 -1.884 0.491 446 1HB LYS 52 HB1 LYS 52 -47.309 -4.764 0.105 447 2HB LYS 52 HB2 LYS 52 -47.432 -3.734 -1.316 448 1HG LYS 52 HG1 LYS 52 -48.813 -2.123 0.014 449 2HG LYS 52 HG2 LYS 52 -48.747 -3.235 1.378 450 1HD LYS 52 HD1 LYS 52 -50.711 -3.986 0.431 451 2HD LYS 52 HD2 LYS 52 -49.589 -4.951 -0.523 452 1HE LYS 52 HE1 LYS 52 -51.191 -3.813 -2.005 453 2HE LYS 52 HE2 LYS 52 -49.572 -3.176 -2.266 454 1HZ LYS 52 HZ1 LYS 52 -50.596 -1.618 -0.278 455 2HZ LYS 52 HZ2 LYS 52 -51.911 -1.845 -1.327 456 3HZ LYS 52 HZ3 LYS 52 -50.457 -1.194 -1.916 457 H ALA 53 HN ALA 53 -43.838 -3.007 1.056 458 HA ALA 53 HA ALA 53 -43.789 -5.130 2.845 459 1HB ALA 53 HB1 ALA 53 -41.735 -3.926 2.311 460 2HB ALA 53 HB2 ALA 53 -41.969 -3.761 4.049 461 3HB ALA 53 HB3 ALA 53 -42.373 -2.425 2.975 462 H HIS 54 HN HIS 54 -43.425 -2.073 4.463 463 HA HIS 54 HA HIS 54 -45.944 -2.442 5.935 464 1HB HIS 54 HB1 HIS 54 -44.707 -3.685 7.453 465 2HB HIS 54 HB2 HIS 54 -44.316 -2.086 8.069 466 HD1 HIS 54 HD1 HIS 54 -42.770 -4.983 6.634 467 HD2 HIS 54 HD2 HIS 54 -41.708 -1.054 7.041 468 HE1 HIS 54 HE1 HIS 54 -40.346 -4.925 6.313 469 H SER 55 HN SER 55 -46.523 -0.461 5.057 470 HA SER 55 HA SER 55 -45.246 1.867 6.418 471 1HB SER 55 HB1 SER 55 -45.075 3.088 4.374 472 2HB SER 55 HB2 SER 55 -46.289 2.080 3.563 473 HG SER 55 HG1 SER 55 -43.849 1.700 3.255 474 H LYS 56 HN LYS 56 -47.909 0.077 6.072 475 HA LYS 56 HA LYS 56 -49.644 2.326 6.887 476 1HB LYS 56 HB1 LYS 56 -51.447 1.380 5.289 477 2HB LYS 56 HB2 LYS 56 -50.152 0.471 4.519 478 1HG LYS 56 HG1 LYS 56 -48.993 2.491 3.899 479 2HG LYS 56 HG2 LYS 56 -50.055 3.478 4.896 480 1HD LYS 56 HD1 LYS 56 -51.973 2.890 3.467 481 2HD LYS 56 HD2 LYS 56 -50.943 1.851 2.488 482 1HE LYS 56 HE1 LYS 56 -51.104 3.945 1.316 483 2HE LYS 56 HE2 LYS 56 -49.500 3.903 2.038 484 1HZ LYS 56 HZ1 LYS 56 -50.477 6.025 2.431 485 2HZ LYS 56 HZ2 LYS 56 -50.401 5.196 3.910 486 3HZ LYS 56 HZ3 LYS 56 -51.880 5.326 3.086 487 H LYS 57 HN LYS 57 -49.477 -1.152 6.228 488 HA LYS 57 HA LYS 57 -51.652 -1.973 7.798 489 1HB LYS 57 HB1 LYS 57 -49.035 -3.514 7.725 490 2HB LYS 57 HB2 LYS 57 -50.010 -3.346 6.269 491 1HG LYS 57 HG1 LYS 57 -51.949 -4.330 7.441 492 2HG LYS 57 HG2 LYS 57 -50.994 -4.473 8.913 493 1HD LYS 57 HD1 LYS 57 -49.875 -5.682 6.416 494 2HD LYS 57 HD2 LYS 57 -51.220 -6.513 7.191 495 1HE LYS 57 HE1 LYS 57 -49.991 -6.586 9.312 496 2HE LYS 57 HE2 LYS 57 -48.670 -5.667 8.605 497 1HZ LYS 57 HZ1 LYS 57 -49.280 -7.941 7.026 498 2HZ LYS 57 HZ2 LYS 57 -48.957 -8.396 8.630 499 3HZ LYS 57 LYS 57 -47.811 -7.499 7.754 Start of MODEL 58 Raw file had 499 H/Q atoms Start of MODEL 58 1 1H LYS 1 HT1 LYS 1 -8.502 -4.135 -9.009 2 2H LYS 1 HT2 LYS 1 -7.730 -4.403 -10.498 3 3H LYS 1 HT3 LYS 1 -9.231 -5.129 -10.177 4 HA LYS 1 HA LYS 1 -8.598 -2.346 -10.856 5 1HB LYS 1 HB1 LYS 1 -10.676 -2.657 -12.234 6 2HB LYS 1 HB2 LYS 1 -10.869 -4.274 -11.567 7 1HG LYS 1 HG1 LYS 1 -8.202 -3.681 -12.735 8 2HG LYS 1 HG2 LYS 1 -9.533 -3.764 -13.883 9 1HD LYS 1 HD1 LYS 1 -10.139 -5.987 -13.108 10 2HD LYS 1 HD2 LYS 1 -8.965 -5.897 -11.802 11 1HE LYS 1 HE1 LYS 1 -8.359 -5.917 -14.777 12 2HE LYS 1 HE2 LYS 1 -8.012 -7.205 -13.631 13 1HZ LYS 1 HZ1 LYS 1 -6.013 -6.093 -13.839 14 2HZ LYS 1 HZ2 LYS 1 -6.661 -5.431 -12.415 15 3HZ LYS 1 HZ3 LYS 1 -6.738 -4.558 -13.871 16 OH TYR 2 OH TYR 2 -7.784 2.212 -8.883 17 H TYR 2 HN TYR 2 -11.855 -2.928 -10.739 18 HA TYR 2 HA TYR 2 -12.194 -2.106 -7.923 19 1HB TYR 2 HB1 TYR 2 -13.463 -0.071 -8.571 20 2HB TYR 2 HB2 TYR 2 -13.155 -0.405 -10.274 21 HD1 TYR 2 HD2 TYR 2 -11.454 0.312 -7.040 22 HD2 TYR 2 HD1 TYR 2 -11.099 0.276 -11.277 23 HE1 TYR 2 HE2 TYR 2 -9.308 1.481 -6.871 24 HE2 TYR 2 HE1 TYR 2 -8.956 1.452 -11.108 25 HH TYR 2 HH TYR 2 -7.873 3.052 -9.339 26 H ILE 3 HN ILE 3 -13.065 -4.382 -8.401 27 HA ILE 3 HA ILE 3 -15.965 -4.137 -9.101 28 HB ILE 3 HB ILE 3 -14.260 -6.648 -9.392 29 1HG1 ILE 3 HG11 ILE 3 -13.291 -4.923 -10.839 30 2HG1 ILE 3 HG12 ILE 3 -14.883 -4.531 -11.482 31 1HG2 ILE 3 HG21 ILE 3 -16.862 -6.656 -9.320 32 2HG2 ILE 3 HG22 ILE 3 -16.128 -7.432 -10.716 33 3HG2 ILE 3 HG23 ILE 3 -16.802 -5.812 -10.863 34 1HD1 ILE 3 HD1 ILE 3 -15.026 -6.510 -12.701 35 2HD1 ILE 3 HD2 ILE 3 -13.944 -7.378 -11.617 36 3HD1 ILE 3 HD3 ILE 3 -13.291 -6.221 -12.771 37 H CYS 4 HN CYS 4 -16.941 -4.108 -7.112 38 HA CYS 4 HA CYS 4 -15.915 -5.293 -4.779 39 1HB CYS 4 HB1 CYS 4 -18.783 -4.828 -5.627 40 2HB CYS 4 HB2 CYS 4 -17.811 -3.802 -4.609 41 H GLU 5 HN GLU 5 -15.393 -7.297 -4.443 42 HA GLU 5 HA GLU 5 -16.164 -9.500 -6.025 43 1HB GLU 5 HB1 GLU 5 -15.422 -10.808 -3.856 44 2HB GLU 5 HB2 GLU 5 -15.016 -9.211 -3.236 45 1HG GLU 5 HG1 GLU 5 -13.641 -8.836 -5.328 46 2HG GLU 5 HG2 GLU 5 -13.926 -10.523 -5.747 47 H GLU 6 HN GLU 6 -17.876 -7.942 -3.472 48 HA GLU 6 HA GLU 6 -19.570 -10.268 -2.972 49 1HB GLU 6 HB1 GLU 6 -20.095 -7.447 -1.989 50 2HB GLU 6 HB2 GLU 6 -18.846 -8.437 -1.246 51 1HG GLU 6 HG1 GLU 6 -20.509 -10.188 -0.752 52 2HG GLU 6 HG2 GLU 6 -21.764 -9.233 -1.536 53 H CYS 7 HN CYS 7 -20.389 -6.895 -3.776 54 HA CYS 7 HA CYS 7 -22.894 -7.762 -4.993 55 1HB CYS 7 HB1 CYS 7 -23.318 -5.442 -5.325 56 2HB CYS 7 HB2 CYS 7 -21.626 -5.043 -5.353 57 H GLY 8 HN GLY 8 -19.928 -6.228 -6.190 58 1HA GLY 8 HA1 GLY 8 -20.548 -7.347 -8.894 59 2HA GLY 8 HA2 GLY 8 -18.919 -7.064 -8.290 60 H ILE 9 HN ILE 9 -20.320 -4.521 -7.072 61 HA ILE 9 HA ILE 9 -21.126 -2.784 -9.089 62 HB ILE 9 HB ILE 9 -20.935 -2.391 -6.525 63 1HG1 ILE 9 HG11 ILE 9 -20.482 -0.436 -8.730 64 2HG1 ILE 9 HG12 ILE 9 -20.240 0.147 -7.088 65 1HG2 ILE 9 HG21 ILE 9 -18.349 -2.827 -6.692 66 2HG2 ILE 9 HG22 ILE 9 -18.869 -1.481 -5.694 67 3HG2 ILE 9 HG23 ILE 9 -18.245 -1.185 -7.309 68 1HD1 ILE 9 HD1 ILE 9 -22.700 -1.458 -7.764 69 2HD1 ILE 9 HD2 ILE 9 -22.645 0.263 -8.133 70 3HD1 ILE 9 HD3 ILE 9 -22.467 -0.287 -6.469 71 NH1 ARG 10 NH1 ARG 10 -16.436 -3.743 -16.587 72 NH2 ARG 10 NH2 ARG 10 -16.060 -5.368 -15.026 73 H ARG 10 HN ARG 10 -20.187 -1.856 -10.777 74 HA ARG 10 HA ARG 10 -17.251 -2.223 -11.107 75 1HB ARG 10 HB1 ARG 10 -19.377 -1.459 -13.164 76 2HB ARG 10 HB2 ARG 10 -18.872 -3.113 -12.856 77 1HG ARG 10 HG1 ARG 10 -17.028 -0.864 -13.756 78 2HG ARG 10 HG2 ARG 10 -17.677 -2.113 -14.809 79 1HD ARG 10 HD1 ARG 10 -16.617 -3.703 -12.906 80 2HD ARG 10 HD2 ARG 10 -15.549 -2.314 -12.724 81 HE ARG 10 HE ARG 10 -14.603 -2.842 -14.821 82 1HH1 ARG 10 HH11 ARG 10 -16.371 -2.782 -16.855 83 2HH1 ARG 10 HH12 ARG 10 -16.837 -4.410 -17.214 84 1HH2 ARG 10 HH21 ARG 10 -15.713 -5.626 -14.125 85 2HH2 ARG 10 HH22 ARG 10 -16.455 -6.063 -15.627 86 H ABA 11 HN ABU 11 -16.227 -0.492 -10.295 87 HA ABA 11 HA ABU 11 -17.039 2.185 -11.345 88 1HB ABA 11 HB1 ABU 11 -16.582 3.160 -9.163 89 2HB ABA 11 HB2 ABU 11 -15.927 1.651 -8.559 90 1HG ABA 11 HG1 ABU 11 -18.812 2.135 -9.367 91 2HG ABA 11 HG2 ABU 11 -18.217 1.980 -7.717 92 3HG ABA 11 HG3 ABU 11 -18.165 0.599 -8.807 93 H LYS 12 HN LYS 12 -15.412 2.117 -12.892 94 HA LYS 12 HA LYS 12 -12.750 1.345 -12.531 95 1HB LYS 12 HB1 LYS 12 -12.305 3.083 -14.392 96 2HB LYS 12 HB2 LYS 12 -14.012 3.493 -14.276 97 1HG LYS 12 HG1 LYS 12 -14.609 1.132 -14.735 98 2HG LYS 12 HG2 LYS 12 -12.900 0.726 -14.851 99 1HD LYS 12 HD1 LYS 12 -12.614 2.095 -16.802 100 2HD LYS 12 HD2 LYS 12 -14.188 2.850 -16.584 101 1HE LYS 12 HE1 LYS 12 -13.857 -0.126 -17.040 102 2HE LYS 12 HE2 LYS 12 -14.079 1.014 -18.360 103 1HZ LYS 12 HZ1 LYS 12 -16.024 -0.137 -16.736 104 2HZ LYS 12 HZ2 LYS 12 -16.237 0.987 -17.991 105 3HZ LYS 12 HZ3 LYS 12 -16.009 1.526 -16.396 106 H LYS 13 HN LYS 13 -14.307 3.768 -10.867 107 HA LYS 13 HA LYS 13 -11.817 5.348 -10.522 108 1HB LYS 13 HB1 LYS 13 -13.399 7.005 -9.417 109 2HB LYS 13 HB2 LYS 13 -14.722 5.923 -9.836 110 1HG LYS 13 HG1 LYS 13 -14.135 6.107 -12.223 111 2HG LYS 13 HG2 LYS 13 -12.782 7.157 -11.820 112 1HD LYS 13 HD1 LYS 13 -15.486 7.922 -10.796 113 2HD LYS 13 HD2 LYS 13 -15.164 8.159 -12.509 114 1HE LYS 13 HE1 LYS 13 -13.173 9.491 -11.983 115 2HE LYS 13 HE2 LYS 13 -13.399 9.191 -10.265 116 1HZ LYS 13 HZ1 LYS 13 -15.575 10.303 -10.448 117 2HZ LYS 13 HZ2 LYS 13 -15.211 10.701 -12.058 118 3HZ LYS 13 HZ3 LYS 13 -14.264 11.327 -10.794 119 HA PRO 14 HA PRO 14 -11.430 3.238 -6.536 120 1HB PRO 14 HB1 PRO 14 -9.213 3.690 -6.094 121 2HB PRO 14 HB2 PRO 14 -9.673 5.277 -5.477 122 1HG PRO 14 HG1 PRO 14 -8.268 4.706 -7.919 123 2HG PRO 14 HG2 PRO 14 -8.811 6.283 -7.346 124 1HD PRO 14 HD1 PRO 14 -10.392 6.312 -8.990 125 2HD PRO 14 HD2 PRO 14 -9.900 4.685 -9.504 126 H SER 15 HN SER 15 -11.816 6.751 -6.747 127 HA SER 15 HA SER 15 -12.643 7.280 -4.117 128 1HB SER 15 HB1 SER 15 -12.357 9.073 -5.834 129 2HB SER 15 HB2 SER 15 -14.012 9.156 -5.201 130 HG SER 15 HG1 SER 15 -13.326 7.500 -7.384 131 H MET 16 HN MET 16 -14.637 6.279 -6.882 132 HA MET 16 HA MET 16 -17.066 6.131 -5.341 133 1HB MET 16 HB1 MET 16 -17.710 4.609 -7.408 134 2HB MET 16 HB2 MET 16 -16.147 5.120 -8.037 135 1HG MET 16 HG1 MET 16 -16.793 7.479 -7.695 136 2HG MET 16 HG2 MET 16 -18.354 6.963 -7.117 137 1HE MET 16 HE1 MET 16 -17.916 9.160 -9.981 138 2HE MET 16 HE2 MET 16 -18.682 8.928 -8.409 139 3HE MET 16 HE3 MET 16 -19.624 8.731 -9.887 140 H LEU 17 HN LEU 17 -14.793 3.593 -6.469 141 HA LEU 17 HA LEU 17 -16.254 1.454 -5.266 142 1HB LEU 17 HB1 LEU 17 -13.231 1.495 -5.541 143 2HB LEU 17 HB2 LEU 17 -14.243 1.408 -6.963 144 HG LEU 17 HG LEU 17 -13.479 -0.854 -6.138 145 1HD1 LEU 17 HD11 LEU 17 -13.659 -0.170 -3.676 146 2HD1 LEU 17 HD12 LEU 17 -14.248 -1.773 -4.087 147 3HD1 LEU 17 HD13 LEU 17 -15.387 -0.466 -3.821 148 1HD2 LEU 17 HD21 LEU 17 -15.777 -0.328 -7.327 149 2HD2 LEU 17 HD22 LEU 17 -16.471 -0.790 -5.782 150 3HD2 LEU 17 HD23 LEU 17 -15.476 -1.930 -6.673 151 H LYS 18 HN LYS 18 -13.284 3.065 -4.190 152 HA LYS 18 HA LYS 18 -12.858 1.990 -1.730 153 1HB LYS 18 HB1 LYS 18 -12.229 4.344 -0.945 154 2HB LYS 18 HB2 LYS 18 -12.891 4.955 -2.453 155 1HG LYS 18 HG1 LYS 18 -10.786 4.618 -3.271 156 2HG LYS 18 HG2 LYS 18 -11.269 2.929 -3.353 157 1HD LYS 18 HD1 LYS 18 -9.178 3.002 -2.145 158 2HD LYS 18 HD2 LYS 18 -10.442 2.664 -0.970 159 1HE LYS 18 HE1 LYS 18 -10.227 5.508 -1.195 160 2HE LYS 18 HE2 LYS 18 -8.600 4.867 -1.012 161 1HZ LYS 18 HZ1 LYS 18 -9.185 4.982 1.147 162 2HZ LYS 18 HZ2 LYS 18 -9.823 3.442 0.822 163 3HZ LYS 18 HZ3 LYS 18 -10.846 4.798 0.842 164 H LYS 19 HN LYS 19 -15.265 4.530 -2.371 165 HA LYS 19 HA LYS 19 -16.233 4.540 0.324 166 1HB LYS 19 HB1 LYS 19 -18.361 5.425 -1.234 167 2HB LYS 19 HB2 LYS 19 -16.992 5.729 -2.294 168 1HG LYS 19 HG1 LYS 19 -17.145 6.658 0.597 169 2HG LYS 19 HG2 LYS 19 -17.525 7.670 -0.790 170 1HD LYS 19 HD1 LYS 19 -15.236 7.312 -1.675 171 2HD LYS 19 HD2 LYS 19 -14.852 6.322 -0.274 172 1HE LYS 19 HE1 LYS 19 -15.776 9.207 -0.107 173 2HE LYS 19 HE2 LYS 19 -14.088 8.714 -0.062 174 1HZ LYS 19 HZ1 LYS 19 -16.073 8.609 1.994 175 2HZ LYS 19 HZ2 LYS 19 -14.379 8.544 2.114 176 3HZ LYS 19 HZ3 LYS 19 -15.264 7.129 1.797 177 H HIS 20 HN HIS 20 -17.209 2.869 -2.626 178 HA HIS 20 HA HIS 20 -19.617 1.735 -1.644 179 1HB HIS 20 HB1 HIS 20 -17.599 0.617 -3.629 180 2HB HIS 20 HB2 HIS 20 -18.999 1.601 -4.039 181 HD1 HIS 20 HD1 HIS 20 -21.054 0.218 -4.417 182 HD2 HIS 20 HD2 HIS 20 -18.243 -1.909 -2.388 183 HE1 HIS 20 HE1 HIS 20 -21.986 -2.033 -4.175 184 H ILE 21 HN ILE 21 -16.331 0.329 -1.747 185 HA ILE 21 HA ILE 21 -17.033 -2.065 -0.412 186 HB ILE 21 HB ILE 21 -14.716 -1.193 -1.517 187 1HG1 ILE 21 HG11 ILE 21 -14.942 -3.191 0.768 188 2HG1 ILE 21 HG12 ILE 21 -13.553 -3.068 -0.302 189 1HG2 ILE 21 HG21 ILE 21 -14.095 -1.057 1.469 190 2HG2 ILE 21 HG22 ILE 21 -14.449 0.385 0.540 191 3HG2 ILE 21 HG23 ILE 21 -13.059 -0.590 0.126 192 1HD1 ILE 21 HD1 ILE 21 -14.632 -4.490 -1.695 193 2HD1 ILE 21 HD2 ILE 21 -15.762 -3.185 -2.036 194 3HD1 ILE 21 HD3 ILE 21 -16.125 -4.354 -0.773 195 NH1 ARG 22 NH1 ARG 22 -11.940 5.614 2.670 196 NH2 ARG 22 NH2 ARG 22 -11.679 5.288 4.916 197 H ARG 22 HN ARG 22 -16.400 1.144 0.818 198 HA ARG 22 HA ARG 22 -16.237 0.280 3.606 199 1HB ARG 22 HB1 ARG 22 -16.707 2.856 3.917 200 2HB ARG 22 HB2 ARG 22 -16.548 2.944 2.166 201 1HG ARG 22 HG1 ARG 22 -14.307 1.911 2.314 202 2HG ARG 22 HG2 ARG 22 -14.465 1.805 4.063 203 1HD ARG 22 HD1 ARG 22 -14.784 4.321 4.097 204 2HD ARG 22 HD2 ARG 22 -14.372 4.332 2.384 205 HE ARG 22 HE ARG 22 -12.334 2.930 3.829 206 1HH1 ARG 22 HH11 ARG 22 -12.298 5.291 1.794 207 2HH1 ARG 22 HH12 ARG 22 -11.438 6.477 2.718 208 1HH2 ARG 22 HH21 ARG 22 -11.840 4.721 5.724 209 2HH2 ARG 22 HH22 ARG 22 -11.173 6.145 5.001 210 H THR 23 HN THR 23 -18.763 0.804 1.373 211 HA THR 23 HA THR 23 -20.781 1.593 3.292 212 HB THR 23 HB THR 23 -21.386 0.046 0.720 213 HG1 THR 23 HG1 THR 23 -19.650 1.700 0.575 214 1HG2 THR 23 HG21 THR 23 -22.521 2.575 2.049 215 2HG2 THR 23 HG22 THR 23 -23.279 0.988 2.148 216 3HG2 THR 23 HG23 THR 23 -23.171 1.818 0.598 217 H HIS 24 HN HIS 24 -19.278 -1.417 2.498 218 HA HIS 24 HA HIS 24 -21.489 -3.075 3.461 219 1HB HIS 24 HB1 HIS 24 -19.531 -4.829 3.554 220 2HB HIS 24 HB2 HIS 24 -18.551 -3.569 2.812 221 HD1 HIS 24 HD1 HIS 24 -21.633 -5.544 2.057 222 HD2 HIS 24 HD2 HIS 24 -18.918 -3.223 0.101 223 HE1 HIS 24 HE1 HIS 24 -22.123 -5.828 -0.345 224 H THR 25 HN THR 25 -19.927 -0.877 5.055 225 HA THR 25 HA THR 25 -19.103 -2.474 7.400 226 HB THR 25 HB THR 25 -18.455 -0.132 8.242 227 HG1 THR 25 HG1 THR 25 -18.703 1.412 6.430 228 1HG2 THR 25 HG21 THR 25 -16.678 -1.156 6.896 229 2HG2 THR 25 HG22 THR 25 -16.915 0.453 6.224 230 3HG2 THR 25 HG23 THR 25 -17.613 -0.947 5.420 231 H ASP 26 HN ASP 26 -20.264 0.547 8.172 232 HA ASP 26 HA ASP 26 -23.016 -0.309 8.740 233 1HB ASP 26 HB1 ASP 26 -22.758 0.230 11.183 234 2HB ASP 26 HB2 ASP 26 -21.038 0.521 10.931 235 H VAL 27 HN VAL 27 -21.654 1.601 7.113 236 HA VAL 27 HA VAL 27 -22.298 4.187 8.400 237 HB VAL 27 HB VAL 27 -20.146 3.975 7.215 238 1HG1 VAL 27 HG11 VAL 27 -20.865 2.176 5.655 239 2HG1 VAL 27 HG12 VAL 27 -20.049 3.485 4.818 240 3HG1 VAL 27 HG13 VAL 27 -21.802 3.351 4.753 241 1HG2 VAL 27 HG21 VAL 27 -21.441 5.620 5.171 242 2HG2 VAL 27 HG22 VAL 27 -20.303 6.095 6.428 243 3HG2 VAL 27 HG23 VAL 27 -22.023 5.994 6.790 244 NH1 ARG 28 NH1 ARG 28 -24.251 -1.721 6.388 245 NH2 ARG 28 NH2 ARG 28 -25.464 -2.998 4.931 246 H ARG 28 HN ARG 28 -24.527 2.694 7.936 247 HA ARG 28 HA ARG 28 -25.827 4.008 5.579 248 1HB ARG 28 HB1 ARG 28 -27.531 2.069 5.991 249 2HB ARG 28 HB2 ARG 28 -26.269 1.356 6.988 250 1HG ARG 28 HG1 ARG 28 -24.711 1.492 5.037 251 2HG ARG 28 HG2 ARG 28 -26.032 2.108 4.055 252 1HD ARG 28 HD1 ARG 28 -26.830 0.019 3.719 253 2HD ARG 28 HD2 ARG 28 -26.857 -0.299 5.452 254 HE ARG 28 HE ARG 28 -24.379 -0.641 3.805 255 1HH1 ARG 28 HH11 ARG 28 -23.851 -0.835 6.621 256 2HH1 ARG 28 HH12 ARG 28 -24.139 -2.499 7.007 257 1HH2 ARG 28 HH21 ARG 28 -25.972 -3.068 4.073 258 2HH2 ARG 28 HH22 ARG 28 -25.373 -3.797 5.525 259 HA PRO 29 HA PRO 29 -27.683 5.833 9.428 260 1HB PRO 29 HB1 PRO 29 -27.201 8.061 9.176 261 2HB PRO 29 HB2 PRO 29 -28.344 8.180 7.838 262 1HG PRO 29 HG1 PRO 29 -25.433 8.102 7.716 263 2HG PRO 29 HG2 PRO 29 -26.572 8.356 6.393 264 1HD PRO 29 HD1 PRO 29 -26.286 6.217 5.668 265 2HD PRO 29 HD2 PRO 29 -25.017 6.012 6.887 266 OH TYR 30 OH TYR 30 -29.485 10.597 3.056 267 H TYR 30 HN TYR 30 -28.886 5.547 6.150 268 HA TYR 30 HA TYR 30 -31.637 6.196 6.862 269 1HB TYR 30 HB1 TYR 30 -32.135 5.276 4.572 270 2HB TYR 30 HB2 TYR 30 -30.475 4.705 4.456 271 HD1 TYR 30 HD1 TYR 30 -32.366 7.850 5.212 272 HD2 TYR 30 HD2 TYR 30 -28.893 6.127 3.461 273 HE1 TYR 30 HE1 TYR 30 -31.664 10.063 4.427 274 HE2 TYR 30 HE2 TYR 30 -28.191 8.341 2.677 275 HH TYR 30 HH TYR 30 -30.208 10.975 2.551 276 H HIS 31 HN HIS 31 -32.246 4.887 8.570 277 HA HIS 31 HA HIS 31 -32.213 1.935 8.106 278 1HB HIS 31 HB1 HIS 31 -32.695 1.813 10.567 279 2HB HIS 31 HB2 HIS 31 -32.750 3.571 10.635 280 HD1 HIS 31 HD1 HIS 31 -30.326 0.887 9.893 281 HD2 HIS 31 HD2 HIS 31 -30.302 4.816 10.895 282 HE1 HIS 31 HE1 HIS 31 -27.989 1.414 10.287 283 H CYS 32 HN CYS 32 -34.078 0.828 7.783 284 HA CYS 32 HA CYS 32 -36.484 2.120 7.116 285 1HB CYS 32 HB1 CYS 32 -35.765 -0.672 8.012 286 2HB CYS 32 HB2 CYS 32 -36.358 -0.144 6.461 287 H THR 33 HN THR 33 -38.493 2.288 8.242 288 HA THR 33 HA THR 33 -38.082 2.936 11.086 289 HB THR 33 HB THR 33 -40.482 3.257 9.187 290 HG1 THR 33 HG1 THR 33 -38.364 4.781 10.233 291 1HG2 THR 33 HG21 THR 33 -40.142 3.667 12.154 292 2HG2 THR 33 HG22 THR 33 -41.632 3.427 11.246 293 3HG2 THR 33 HG23 THR 33 -40.864 5.012 11.276 294 OH TYR 34 OH TYR 34 -44.395 2.608 9.440 295 H TYR 34 HN TYR 34 -38.133 0.137 10.003 296 HA TYR 34 HA TYR 34 -39.867 -0.955 12.114 297 1HB TYR 34 HB1 TYR 34 -41.101 -2.439 10.576 298 2HB TYR 34 HB2 TYR 34 -40.180 -1.841 9.202 299 HD1 TYR 34 HD2 TYR 34 -40.583 0.445 8.334 300 HD2 TYR 34 HD1 TYR 34 -42.874 -1.084 11.573 301 HE1 TYR 34 HE2 TYR 34 -42.222 2.234 8.015 302 HE2 TYR 34 HE1 TYR 34 -44.514 0.712 11.251 303 HH TYR 34 HH TYR 34 -44.002 3.270 8.868 304 H CYS 35 HN CYS 35 -38.389 -2.327 9.187 305 HA CYS 35 HA CYS 35 -37.314 -4.613 10.482 306 1HB CYS 35 HB1 CYS 35 -35.977 -4.895 8.473 307 2HB CYS 35 HB2 CYS 35 -36.071 -3.197 8.100 308 H ASN 36 HN ASN 36 -34.660 -4.661 9.653 309 HA ASN 36 HA ASN 36 -33.364 -2.671 11.469 310 1HB ASN 36 HB1 ASN 36 -32.744 -5.645 11.071 311 2HB ASN 36 HB2 ASN 36 -33.403 -4.914 12.532 312 1HD2 ASN 36 HD21 ASN 36 -30.556 -6.049 11.277 313 2HD2 ASN 36 HD22 ASN 36 -29.456 -5.090 12.143 314 H PHE 37 HN PHE 37 -33.745 -3.553 8.388 315 HA PHE 37 HA PHE 37 -30.976 -3.608 7.485 316 1HB PHE 37 HB1 PHE 37 -33.295 -2.867 5.695 317 2HB PHE 37 HB2 PHE 37 -33.230 -4.502 6.347 318 HD1 PHE 37 HD2 PHE 37 -31.056 -5.842 5.992 319 HD2 PHE 37 HD1 PHE 37 -31.934 -2.263 3.858 320 HE1 PHE 37 HE2 PHE 37 -29.389 -6.444 4.292 321 HE2 PHE 37 HE1 PHE 37 -30.264 -2.870 2.159 322 HZ PHE 37 HZ PHE 37 -28.992 -4.960 2.376 323 H SER 38 HN SER 38 -29.977 -1.962 6.193 324 HA SER 38 HA SER 38 -31.213 0.720 6.394 325 1HB SER 38 HB1 SER 38 -28.314 0.259 7.202 326 2HB SER 38 HB2 SER 38 -29.622 0.205 8.387 327 HG SER 38 HG1 SER 38 -30.090 2.265 8.022 328 H PHE 39 HN PHE 39 -30.364 2.246 4.958 329 HA PHE 39 HA PHE 39 -28.738 1.060 2.745 330 1HB PHE 39 HB1 PHE 39 -30.121 2.261 1.193 331 2HB PHE 39 HB2 PHE 39 -30.770 3.303 2.459 332 HD1 PHE 39 HD2 PHE 39 -32.297 2.299 4.210 333 HD2 PHE 39 HD1 PHE 39 -31.109 0.112 0.752 334 HE1 PHE 39 HE2 PHE 39 -34.097 0.677 4.613 335 HE2 PHE 39 HE1 PHE 39 -32.921 -1.498 1.153 336 HZ PHE 39 HZ PHE 39 -34.412 -1.218 3.087 337 H LYS 40 HN LYS 40 -27.496 2.604 1.507 338 HA LYS 40 HA LYS 40 -26.242 4.582 3.294 339 1HB LYS 40 HB1 LYS 40 -25.569 3.487 0.528 340 2HB LYS 40 HB2 LYS 40 -24.805 3.044 2.036 341 1HG LYS 40 HG1 LYS 40 -24.663 5.769 0.690 342 2HG LYS 40 HG2 LYS 40 -23.359 4.603 0.823 343 1HD LYS 40 HD1 LYS 40 -23.767 4.757 3.384 344 2HD LYS 40 HD2 LYS 40 -24.622 6.246 3.008 345 1HE LYS 40 HE1 LYS 40 -21.723 5.581 2.456 346 2HE LYS 40 HE2 LYS 40 -22.360 6.898 3.433 347 1HZ LYS 40 HZ1 LYS 40 -21.778 6.883 0.696 348 2HZ LYS 40 HZ2 LYS 40 -22.355 8.166 1.647 349 3HZ LYS 40 HZ3 LYS 40 -23.450 7.122 0.877 350 H THR 41 HN THR 41 -28.523 4.506 0.751 351 HA THR 41 HA THR 41 -28.289 7.480 0.492 352 HB THR 41 HB THR 41 -28.721 7.306 -1.901 353 HG1 THR 41 HG1 THR 41 -30.280 5.813 -2.003 354 1HG2 THR 41 HG21 THR 41 -26.427 6.207 -0.978 355 2HG2 THR 41 HG22 THR 41 -26.879 5.971 -2.664 356 3HG2 THR 41 HG23 THR 41 -27.195 4.704 -1.482 357 H LYS 42 HN LYS 42 -30.232 8.580 -0.008 358 HA LYS 42 HA LYS 42 -32.484 7.535 1.433 359 1HB LYS 42 HB1 LYS 42 -32.256 9.968 -0.408 360 2HB LYS 42 HB2 LYS 42 -31.919 9.981 1.317 361 1HG LYS 42 HG1 LYS 42 -34.605 9.330 0.047 362 2HG LYS 42 HG2 LYS 42 -34.195 10.829 0.867 363 1HD LYS 42 HD1 LYS 42 -33.511 9.146 2.827 364 2HD LYS 42 HD2 LYS 42 -34.688 8.114 2.022 365 1HE LYS 42 HE1 LYS 42 -36.288 10.103 2.083 366 2HE LYS 42 HE2 LYS 42 -35.135 10.889 3.154 367 1HZ LYS 42 HZ1 LYS 42 -35.370 8.531 4.343 368 2HZ LYS 42 HZ2 LYS 42 -36.920 8.663 3.664 369 3HZ LYS 42 HZ3 LYS 42 -36.349 9.867 4.717 370 H GLY 43 HN GLY 43 -31.459 7.449 -1.843 371 1HA GLY 43 HA1 GLY 43 -32.469 6.546 -3.762 372 2HA GLY 43 HA2 GLY 43 -33.994 7.169 -3.138 373 H ASN 44 HN ASN 44 -31.666 4.552 -2.511 374 HA ASN 44 HA ASN 44 -33.340 2.392 -2.934 375 1HB ASN 44 HB1 ASN 44 -31.890 1.223 -1.154 376 2HB ASN 44 HB2 ASN 44 -31.148 2.791 -0.848 377 1HD2 ASN 44 HD21 ASN 44 -30.531 3.920 -3.136 378 2HD2 ASN 44 HD22 ASN 44 -29.674 2.905 -4.194 379 H LEU 45 HN LEU 45 -32.964 4.224 0.082 380 HA LEU 45 HA LEU 45 -34.573 2.714 1.773 381 1HB LEU 45 HB1 LEU 45 -34.374 5.761 1.492 382 2HB LEU 45 HB2 LEU 45 -33.386 4.748 2.522 383 HG LEU 45 HG LEU 45 -34.987 5.697 4.001 384 1HD1 LEU 45 HD11 LEU 45 -36.594 6.107 1.805 385 2HD1 LEU 45 HD12 LEU 45 -37.112 6.332 3.468 386 3HD1 LEU 45 HD13 LEU 45 -37.471 4.833 2.631 387 1HD2 LEU 45 HD21 LEU 45 -36.138 3.801 4.883 388 2HD2 LEU 45 HD22 LEU 45 -34.700 3.159 4.099 389 3HD2 LEU 45 HD23 LEU 45 -36.263 3.034 3.305 390 H THR 46 HN THR 46 -35.674 5.316 -0.406 391 HA THR 46 HA THR 46 -38.440 5.061 0.142 392 HB THR 46 HB THR 46 -36.903 5.906 -2.379 393 HG1 THR 46 HG1 THR 46 -38.563 7.577 -0.965 394 1HG2 THR 46 HG21 THR 46 -39.904 5.896 -1.742 395 2HG2 THR 46 HG22 THR 46 -39.135 5.291 -3.206 396 3HG2 THR 46 HG23 THR 46 -39.207 7.024 -2.899 397 H LYS 47 HN LYS 47 -36.346 3.267 -2.034 398 HA LYS 47 HA LYS 47 -38.369 1.854 -3.453 399 1HB LYS 47 HB1 LYS 47 -35.773 0.510 -2.684 400 2HB LYS 47 HB2 LYS 47 -35.699 1.953 -3.688 401 1HG LYS 47 HG1 LYS 47 -37.115 0.938 -5.371 402 2HG LYS 47 HG2 LYS 47 -37.446 -0.442 -4.330 403 1HD LYS 47 HD1 LYS 47 -35.083 -1.103 -4.404 404 2HD LYS 47 HD2 LYS 47 -34.695 0.319 -5.366 405 1HE LYS 47 HE1 LYS 47 -36.864 -1.458 -6.386 406 2HE LYS 47 HE2 LYS 47 -35.217 -2.065 -6.496 407 1HZ LYS 47 HZ1 LYS 47 -36.502 -0.084 -8.058 408 2HZ LYS 47 HZ2 LYS 47 -35.001 -0.841 -8.304 409 3HZ LYS 47 HZ3 LYS 47 -35.103 0.551 -7.335 410 H HIS 48 HN HIS 48 -36.884 1.298 -0.316 411 HA HIS 48 HA HIS 48 -38.044 -1.338 0.029 412 1HB HIS 48 HB1 HIS 48 -36.950 0.696 2.038 413 2HB HIS 48 HB2 HIS 48 -36.065 -0.656 1.338 414 HD1 HIS 48 HD1 HIS 48 -37.702 -2.972 1.807 415 HD2 HIS 48 HD2 HIS 48 -37.740 0.027 4.584 416 HE1 HIS 48 HE1 HIS 48 -38.471 -4.018 3.880 417 H MET 49 HN MET 49 -39.049 1.940 0.752 418 HA MET 49 HA MET 49 -41.368 1.008 2.306 419 1HB MET 49 HB1 MET 49 -41.908 3.469 2.379 420 2HB MET 49 HB2 MET 49 -40.567 3.777 1.282 421 1HG MET 49 HG1 MET 49 -39.004 2.806 2.901 422 2HG MET 49 HG2 MET 49 -40.322 2.435 3.979 423 1HE MET 49 HE1 MET 49 -41.160 5.414 5.881 424 2HE MET 49 HE2 MET 49 -40.504 3.801 6.159 425 3HE MET 49 HE3 MET 49 -41.822 4.032 5.011 426 H LYS 50 HN LYS 50 -40.608 1.598 -0.963 427 HA LYS 50 HA LYS 50 -43.235 2.391 -1.867 428 1HB LYS 50 HB1 LYS 50 -41.102 0.888 -3.454 429 2HB LYS 50 HB2 LYS 50 -41.017 2.620 -3.148 430 1HG LYS 50 HG1 LYS 50 -43.246 2.899 -4.221 431 2HG LYS 50 HG2 LYS 50 -43.281 1.176 -4.573 432 1HD LYS 50 HD1 LYS 50 -41.148 3.112 -5.550 433 2HD LYS 50 HD2 LYS 50 -42.487 2.519 -6.524 434 1HE LYS 50 HE1 LYS 50 -40.938 0.929 -7.130 435 2HE LYS 50 HE2 LYS 50 -41.502 0.152 -5.657 436 1HZ LYS 50 HZ1 LYS 50 -39.544 1.997 -4.942 437 2HZ LYS 50 HZ2 LYS 50 -38.940 1.105 -6.255 438 3HZ LYS 50 HZ3 LYS 50 -39.470 0.302 -4.857 439 H SER 51 HN SER 51 -41.510 -0.726 -2.094 440 HA SER 51 HA SER 51 -43.592 -2.263 -3.161 441 1HB SER 51 HB1 SER 51 -41.528 -3.057 -1.031 442 2HB SER 51 HB2 SER 51 -41.332 -3.212 -2.788 443 HG SER 51 HG1 SER 51 -42.128 -5.145 -1.765 444 H LYS 52 HN LYS 52 -44.591 -4.149 -1.725 445 HA LYS 52 HA LYS 52 -46.496 -2.802 0.007 446 1HB LYS 52 HB1 LYS 52 -47.215 -4.725 -1.351 447 2HB LYS 52 HB2 LYS 52 -47.359 -5.171 0.344 448 1HG LYS 52 HG1 LYS 52 -45.121 -6.272 0.217 449 2HG LYS 52 HG2 LYS 52 -45.047 -5.877 -1.496 450 1HD LYS 52 HD1 LYS 52 -47.320 -7.102 -1.681 451 2HD LYS 52 HD2 LYS 52 -46.954 -7.751 -0.087 452 1HE LYS 52 HE1 LYS 52 -45.203 -8.013 -2.554 453 2HE LYS 52 HE2 LYS 52 -46.174 -9.295 -1.844 454 1HZ LYS 52 HZ1 LYS 52 -43.748 -9.249 -1.238 455 2HZ LYS 52 HZ2 LYS 52 -44.841 -9.345 0.058 456 3HZ LYS 52 HZ3 LYS 52 -44.089 -7.868 -0.311 457 H ALA 53 HN ALA 53 -43.779 -2.611 0.903 458 HA ALA 53 HA ALA 53 -43.192 -4.447 3.005 459 1HB ALA 53 HB1 ALA 53 -41.478 -2.905 2.176 460 2HB ALA 53 HB2 ALA 53 -41.763 -2.507 3.867 461 3HB ALA 53 HB3 ALA 53 -42.462 -1.508 2.598 462 H HIS 54 HN HIS 54 -43.141 -1.475 4.478 463 HA HIS 54 HA HIS 54 -45.844 -1.612 5.594 464 1HB HIS 54 HB1 HIS 54 -45.012 -3.115 7.153 465 2HB HIS 54 HB2 HIS 54 -44.524 -1.628 7.953 466 HD1 HIS 54 HD1 HIS 54 -43.118 -4.655 7.120 467 HD2 HIS 54 HD2 HIS 54 -41.711 -0.835 6.725 468 HE1 HIS 54 HE1 HIS 54 -40.692 -4.871 6.941 469 H SER 55 HN SER 55 -46.063 0.492 4.865 470 HA SER 55 HA SER 55 -44.603 2.511 6.519 471 1HB SER 55 HB1 SER 55 -45.191 2.580 3.512 472 2HB SER 55 HB2 SER 55 -43.603 2.678 4.298 473 HG SER 55 HG1 SER 55 -45.581 4.592 4.027 474 H LYS 56 HN LYS 56 -47.540 1.314 5.290 475 HA LYS 56 HA LYS 56 -48.975 3.851 5.891 476 1HB LYS 56 HB1 LYS 56 -50.900 2.749 4.803 477 2HB LYS 56 HB2 LYS 56 -50.037 1.220 4.745 478 1HG LYS 56 HG1 LYS 56 -48.672 3.576 3.515 479 2HG LYS 56 HG2 LYS 56 -50.081 2.957 2.663 480 1HD LYS 56 HD1 LYS 56 -48.055 0.959 3.606 481 2HD LYS 56 HD2 LYS 56 -47.631 1.962 2.227 482 1HE LYS 56 HE1 LYS 56 -48.746 -0.147 1.522 483 2HE LYS 56 HE2 LYS 56 -49.672 1.272 1.054 484 1HZ LYS 56 HZ1 LYS 56 -51.085 -0.422 2.006 485 2HZ LYS 56 HZ2 LYS 56 -51.074 0.962 2.990 486 3HZ LYS 56 HZ3 LYS 56 -50.180 -0.409 3.443 487 H LYS 57 HN LYS 57 -47.962 2.794 8.143 488 HA LYS 57 HA LYS 57 -50.391 1.989 9.558 489 1HB LYS 57 HB1 LYS 57 -48.916 0.187 10.765 490 2HB LYS 57 HB2 LYS 57 -47.846 0.342 9.377 491 1HG LYS 57 HG1 LYS 57 -49.656 -0.270 7.856 492 2HG LYS 57 HG2 LYS 57 -50.810 -0.289 9.185 493 1HD LYS 57 HD1 LYS 57 -49.417 -2.090 10.273 494 2HD LYS 57 HD2 LYS 57 -48.434 -2.140 8.815 495 1HE LYS 57 HE1 LYS 57 -50.806 -2.389 7.633 496 2HE LYS 57 HE2 LYS 57 -51.279 -2.997 9.214 497 1HZ LYS 57 HZ1 LYS 57 -50.397 -4.636 7.483 498 2HZ LYS 57 HZ2 LYS 57 -49.816 -4.757 9.074 499 3HZ LYS 57 LYS 57 -48.863 -4.021 7.876 Start of MODEL 59 Raw file had 499 H/Q atoms Start of MODEL 59 1 1H LYS 1 HT1 LYS 1 -5.792 -1.162 -8.107 2 2H LYS 1 HT2 LYS 1 -4.997 -2.224 -7.047 3 3H LYS 1 HT3 LYS 1 -6.071 -1.060 -6.436 4 HA LYS 1 HA LYS 1 -7.251 -2.780 -8.411 5 1HB LYS 1 HB1 LYS 1 -6.562 -3.943 -5.671 6 2HB LYS 1 HB2 LYS 1 -5.622 -4.311 -7.114 7 1HG LYS 1 HG1 LYS 1 -7.646 -5.183 -8.224 8 2HG LYS 1 HG2 LYS 1 -8.607 -4.783 -6.806 9 1HD LYS 1 HD1 LYS 1 -7.960 -6.672 -5.741 10 2HD LYS 1 HD2 LYS 1 -6.262 -6.350 -6.077 11 1HE LYS 1 HE1 LYS 1 -7.023 -8.465 -7.141 12 2HE LYS 1 HE2 LYS 1 -6.510 -7.283 -8.338 13 1HZ LYS 1 HZ1 LYS 1 -8.634 -6.915 -9.031 14 2HZ LYS 1 HZ2 LYS 1 -9.331 -7.361 -7.548 15 3HZ LYS 1 HZ3 LYS 1 -8.744 -8.555 -8.604 16 OH TYR 2 OH TYR 2 -6.059 4.152 -6.161 17 H TYR 2 HN TYR 2 -8.698 -0.977 -8.144 18 HA TYR 2 HA TYR 2 -9.987 -0.661 -5.513 19 1HB TYR 2 HB1 TYR 2 -11.328 1.076 -6.709 20 2HB TYR 2 HB2 TYR 2 -10.594 0.588 -8.232 21 HD1 TYR 2 HD2 TYR 2 -9.815 1.976 -4.872 22 HD2 TYR 2 HD1 TYR 2 -8.441 1.401 -8.855 23 HE1 TYR 2 HE2 TYR 2 -7.936 3.492 -4.443 24 HE2 TYR 2 HE1 TYR 2 -6.557 2.909 -8.423 25 HH TYR 2 HH TYR 2 -5.748 3.991 -5.268 26 H ILE 3 HN ILE 3 -10.360 -3.206 -6.239 27 HA ILE 3 HA ILE 3 -13.186 -3.298 -7.212 28 HB ILE 3 HB ILE 3 -11.176 -5.587 -7.232 29 1HG1 ILE 3 HG11 ILE 3 -10.235 -3.821 -8.611 30 2HG1 ILE 3 HG12 ILE 3 -11.786 -3.542 -9.393 31 1HG2 ILE 3 HG21 ILE 3 -13.798 -5.831 -7.473 32 2HG2 ILE 3 HG22 ILE 3 -12.782 -6.654 -8.652 33 3HG2 ILE 3 HG23 ILE 3 -13.559 -5.131 -9.071 34 1HD1 ILE 3 HD1 ILE 3 -11.673 -5.522 -10.625 35 2HD1 ILE 3 HD2 ILE 3 -10.603 -6.301 -9.465 36 3HD1 ILE 3 HD3 ILE 3 -9.970 -5.077 -10.559 37 H CYS 4 HN CYS 4 -14.510 -3.522 -5.492 38 HA CYS 4 HA CYS 4 -13.700 -4.420 -2.947 39 1HB CYS 4 HB1 CYS 4 -16.402 -4.484 -4.303 40 2HB CYS 4 HB2 CYS 4 -15.817 -3.287 -3.183 41 H GLU 5 HN GLU 5 -12.985 -6.301 -2.348 42 HA GLU 5 HA GLU 5 -13.082 -8.640 -3.948 43 1HB GLU 5 HB1 GLU 5 -12.445 -9.734 -1.636 44 2HB GLU 5 HB2 GLU 5 -12.419 -8.076 -1.047 45 1HG GLU 5 HG1 GLU 5 -10.175 -8.575 -1.759 46 2HG GLU 5 HG2 GLU 5 -10.867 -7.536 -3.004 47 H GLU 6 HN GLU 6 -15.425 -7.331 -1.798 48 HA GLU 6 HA GLU 6 -16.715 -9.925 -1.403 49 1HB GLU 6 HB1 GLU 6 -17.753 -7.167 -0.627 50 2HB GLU 6 HB2 GLU 6 -16.649 -8.089 0.382 51 1HG GLU 6 HG1 GLU 6 -18.428 -9.191 1.248 52 2HG GLU 6 HG2 GLU 6 -18.766 -9.855 -0.348 53 H CYS 7 HN CYS 7 -18.011 -6.784 -2.499 54 HA CYS 7 HA CYS 7 -20.130 -8.123 -3.975 55 1HB CYS 7 HB1 CYS 7 -20.837 -5.932 -4.597 56 2HB CYS 7 HB2 CYS 7 -19.239 -5.270 -4.418 57 H GLY 8 HN GLY 8 -17.243 -6.279 -4.901 58 1HA GLY 8 HA1 GLY 8 -17.301 -7.688 -7.534 59 2HA GLY 8 HA2 GLY 8 -15.846 -7.061 -6.771 60 H ILE 9 HN ILE 9 -17.684 -4.654 -6.021 61 HA ILE 9 HA ILE 9 -18.436 -3.350 -8.409 62 HB ILE 9 HB ILE 9 -18.903 -2.702 -5.919 63 1HG1 ILE 9 HG11 ILE 9 -18.450 -0.941 -8.273 64 2HG1 ILE 9 HG12 ILE 9 -18.632 -0.131 -6.721 65 1HG2 ILE 9 HG21 ILE 9 -16.325 -2.509 -5.501 66 2HG2 ILE 9 HG22 ILE 9 -17.322 -1.212 -4.870 67 3HG2 ILE 9 HG23 ILE 9 -16.418 -0.977 -6.358 68 1HD1 ILE 9 HD1 ILE 9 -20.798 -0.602 -8.043 69 2HD1 ILE 9 HD2 ILE 9 -20.782 -1.094 -6.352 70 3HD1 ILE 9 HD3 ILE 9 -20.549 -2.294 -7.620 71 NH1 ARG 10 NH1 ARG 10 -14.132 -6.133 -13.310 72 NH2 ARG 10 NH2 ARG 10 -14.613 -5.548 -15.467 73 H ARG 10 HN ARG 10 -17.289 -2.508 -10.012 74 HA ARG 10 HA ARG 10 -14.350 -2.243 -9.642 75 1HB ARG 10 HB1 ARG 10 -16.052 -2.186 -12.180 76 2HB ARG 10 HB2 ARG 10 -15.268 -3.625 -11.542 77 1HG ARG 10 HG1 ARG 10 -13.174 -1.837 -11.604 78 2HG ARG 10 HG2 ARG 10 -14.103 -1.343 -13.013 79 1HD ARG 10 HD1 ARG 10 -12.959 -4.084 -12.416 80 2HD ARG 10 HD2 ARG 10 -12.611 -3.044 -13.797 81 HE ARG 10 HE ARG 10 -15.294 -3.459 -14.082 82 1HH1 ARG 10 HH11 ARG 10 -13.985 -5.856 -12.361 83 2HH1 ARG 10 HH12 ARG 10 -14.063 -7.097 -13.568 84 1HH2 ARG 10 HH21 ARG 10 -14.827 -4.832 -16.131 85 2HH2 ARG 10 HH22 ARG 10 -14.552 -6.501 -15.759 86 H ABA 11 HN ABU 11 -13.994 -0.247 -8.783 87 HA ABA 11 HA ABU 11 -15.147 2.094 -10.270 88 1HB ABA 11 HB1 ABU 11 -14.789 3.358 -8.171 89 2HB ABA 11 HB2 ABU 11 -14.082 1.949 -7.413 90 1HG ABA 11 HG1 ABU 11 -16.357 1.971 -6.685 91 2HG ABA 11 HG2 ABU 11 -16.292 0.745 -7.946 92 3HG ABA 11 HG3 ABU 11 -16.946 2.339 -8.303 93 H LYS 12 HN LYS 12 -13.689 2.721 -11.697 94 HA LYS 12 HA LYS 12 -10.889 2.349 -11.495 95 1HB LYS 12 HB1 LYS 12 -10.908 4.235 -13.303 96 2HB LYS 12 HB2 LYS 12 -12.659 4.185 -13.140 97 1HG LYS 12 HG1 LYS 12 -12.398 2.598 -14.807 98 2HG LYS 12 HG2 LYS 12 -12.243 1.557 -13.397 99 1HD LYS 12 HD1 LYS 12 -10.324 0.951 -14.560 100 2HD LYS 12 HD2 LYS 12 -9.681 2.262 -13.579 101 1HE LYS 12 HE1 LYS 12 -10.352 3.809 -15.541 102 2HE LYS 12 HE2 LYS 12 -10.512 2.334 -16.485 103 1HZ LYS 12 HZ1 LYS 12 -8.349 2.470 -16.836 104 2HZ LYS 12 HZ2 LYS 12 -8.102 2.104 -15.196 105 3HZ LYS 12 HZ3 LYS 12 -8.162 3.723 -15.706 106 H LYS 13 HN LYS 13 -12.514 4.108 -9.367 107 HA LYS 13 HA LYS 13 -10.241 5.974 -9.045 108 1HB LYS 13 HB1 LYS 13 -12.103 7.713 -8.348 109 2HB LYS 13 HB2 LYS 13 -13.175 6.664 -9.277 110 1HG LYS 13 HG1 LYS 13 -11.656 6.884 -11.237 111 2HG LYS 13 HG2 LYS 13 -10.633 7.976 -10.309 112 1HD LYS 13 HD1 LYS 13 -12.502 9.552 -10.057 113 2HD LYS 13 HD2 LYS 13 -13.573 8.448 -10.913 114 1HE LYS 13 HE1 LYS 13 -12.122 8.610 -12.920 115 2HE LYS 13 HE2 LYS 13 -11.074 9.736 -12.063 116 1HZ LYS 13 HZ1 LYS 13 -13.813 10.135 -13.049 117 2HZ LYS 13 HZ2 LYS 13 -12.449 11.133 -13.218 118 3HZ LYS 13 HZ3 LYS 13 -13.257 11.045 -11.726 119 HA PRO 14 HA PRO 14 -10.500 4.820 -4.774 120 1HB PRO 14 HB1 PRO 14 -8.703 6.057 -4.023 121 2HB PRO 14 HB2 PRO 14 -9.825 7.366 -3.649 122 1HG PRO 14 HG1 PRO 14 -7.800 7.433 -5.628 123 2HG PRO 14 HG2 PRO 14 -9.121 8.592 -5.462 124 1HD PRO 14 HD1 PRO 14 -9.917 7.829 -7.474 125 2HD PRO 14 HD2 PRO 14 -8.753 6.488 -7.464 126 H SER 15 HN SER 15 -11.384 8.271 -4.743 127 HA SER 15 HA SER 15 -13.197 8.464 -2.760 128 1HB SER 15 HB1 SER 15 -12.771 10.303 -4.424 129 2HB SER 15 HB2 SER 15 -14.517 10.076 -4.208 130 HG SER 15 HG1 SER 15 -13.050 9.726 -6.416 131 H MET 16 HN MET 16 -14.017 7.062 -5.914 132 HA MET 16 HA MET 16 -16.732 6.464 -5.190 133 1HB MET 16 HB1 MET 16 -16.377 4.727 -7.147 134 2HB MET 16 HB2 MET 16 -14.801 5.496 -7.316 135 1HG MET 16 HG1 MET 16 -16.238 6.661 -8.792 136 2HG MET 16 HG2 MET 16 -15.987 7.708 -7.421 137 1HE MET 16 HE1 MET 16 -18.188 7.298 -9.955 138 2HE MET 16 HE2 MET 16 -19.750 6.682 -9.416 139 3HE MET 16 HE3 MET 16 -18.362 5.599 -9.516 140 H LEU 17 HN LEU 17 -13.772 4.458 -5.267 141 HA LEU 17 HA LEU 17 -15.120 2.157 -4.158 142 1HB LEU 17 HB1 LEU 17 -12.139 2.719 -3.929 143 2HB LEU 17 HB2 LEU 17 -12.847 2.310 -5.474 144 HG LEU 17 HG LEU 17 -11.879 0.321 -4.265 145 1HD1 LEU 17 HD11 LEU 17 -14.201 0.576 -2.348 146 2HD1 LEU 17 HD12 LEU 17 -12.600 1.200 -1.977 147 3HD1 LEU 17 HD13 LEU 17 -12.832 -0.517 -2.263 148 1HD2 LEU 17 HD21 LEU 17 -13.554 -1.172 -4.924 149 2HD2 LEU 17 HD22 LEU 17 -13.957 0.254 -5.862 150 3HD2 LEU 17 HD23 LEU 17 -14.861 -0.118 -4.408 151 H LYS 18 HN LYS 18 -12.661 4.347 -2.798 152 HA LYS 18 HA LYS 18 -12.482 3.660 -0.192 153 1HB LYS 18 HB1 LYS 18 -12.471 6.176 0.345 154 2HB LYS 18 HB2 LYS 18 -12.971 6.457 -1.318 155 1HG LYS 18 HG1 LYS 18 -10.958 5.443 -2.177 156 2HG LYS 18 HG2 LYS 18 -10.502 4.864 -0.580 157 1HD LYS 18 HD1 LYS 18 -10.407 7.272 0.182 158 2HD LYS 18 HD2 LYS 18 -10.654 7.753 -1.493 159 1HE LYS 18 HE1 LYS 18 -8.397 7.630 -1.699 160 2HE LYS 18 HE2 LYS 18 -8.609 5.885 -1.677 161 1HZ LYS 18 HZ1 LYS 18 -8.660 6.874 0.957 162 2HZ LYS 18 HZ2 LYS 18 -7.270 7.452 0.171 163 3HZ LYS 18 HZ3 LYS 18 -7.569 5.782 0.247 164 H LYS 19 HN LYS 19 -15.241 5.440 -1.537 165 HA LYS 19 HA LYS 19 -16.606 5.553 0.993 166 1HB LYS 19 HB1 LYS 19 -17.867 5.725 -1.776 167 2HB LYS 19 HB2 LYS 19 -16.975 7.070 -1.074 168 1HG LYS 19 HG1 LYS 19 -18.508 6.929 0.935 169 2HG LYS 19 HG2 LYS 19 -19.465 5.748 0.049 170 1HD LYS 19 HD1 LYS 19 -18.872 8.584 -0.866 171 2HD LYS 19 HD2 LYS 19 -20.407 8.020 -0.218 172 1HE LYS 19 HE1 LYS 19 -20.146 6.196 -2.148 173 2HE LYS 19 HE2 LYS 19 -19.145 7.447 -2.872 174 1HZ LYS 19 HZ1 LYS 19 -22.007 7.540 -2.191 175 2HZ LYS 19 HZ2 LYS 19 -21.243 7.916 -3.659 176 3HZ LYS 19 HZ3 LYS 19 -21.111 8.974 -2.337 177 H HIS 20 HN HIS 20 -16.825 3.515 -1.877 178 HA HIS 20 HA HIS 20 -19.058 1.958 -1.118 179 1HB HIS 20 HB1 HIS 20 -16.548 1.157 -2.659 180 2HB HIS 20 HB2 HIS 20 -18.015 1.820 -3.377 181 HD1 HIS 20 HD1 HIS 20 -19.614 0.022 -4.035 182 HD2 HIS 20 HD2 HIS 20 -16.992 -1.360 -1.255 183 HE1 HIS 20 HE1 HIS 20 -20.159 -2.347 -3.746 184 H ILE 21 HN ILE 21 -15.595 1.229 -0.694 185 HA ILE 21 HA ILE 21 -15.995 -1.129 0.820 186 HB ILE 21 HB ILE 21 -13.797 -0.456 -0.130 187 1HG1 ILE 21 HG11 ILE 21 -14.081 -1.178 2.750 188 2HG1 ILE 21 HG12 ILE 21 -12.493 -0.639 2.235 189 1HG2 ILE 21 HG21 ILE 21 -12.487 1.336 1.004 190 2HG2 ILE 21 HG22 ILE 21 -13.833 1.643 2.095 191 3HG2 ILE 21 HG23 ILE 21 -13.998 1.967 0.376 192 1HD1 ILE 21 HD1 ILE 21 -13.006 -3.155 2.008 193 2HD1 ILE 21 HD2 ILE 21 -12.326 -2.351 0.597 194 3HD1 ILE 21 HD3 ILE 21 -14.050 -2.697 0.666 195 NH1 ARG 22 NH1 ARG 22 -15.902 7.990 3.717 196 NH2 ARG 22 NH2 ARG 22 -14.597 7.960 1.841 197 H ARG 22 HN ARG 22 -16.038 2.254 1.785 198 HA ARG 22 HA ARG 22 -16.044 1.650 4.639 199 1HB ARG 22 HB1 ARG 22 -17.016 4.104 4.665 200 2HB ARG 22 HB2 ARG 22 -16.668 4.091 2.940 201 1HG ARG 22 HG1 ARG 22 -14.313 3.520 3.411 202 2HG ARG 22 HG2 ARG 22 -14.655 3.501 5.136 203 1HD ARG 22 HD1 ARG 22 -13.670 5.670 4.465 204 2HD ARG 22 HD2 ARG 22 -15.328 5.889 5.021 205 HE ARG 22 HE ARG 22 -15.216 5.480 2.155 206 1HH1 ARG 22 HH11 ARG 22 -16.343 7.489 4.462 207 2HH1 ARG 22 HH12 ARG 22 -16.006 8.982 3.653 208 1HH2 ARG 22 HH21 ARG 22 -14.060 7.437 1.180 209 2HH2 ARG 22 HH22 ARG 22 -14.680 8.952 1.745 210 H THR 23 HN THR 23 -18.415 1.498 2.176 211 HA THR 23 HA THR 23 -20.668 2.026 3.922 212 HB THR 23 HB THR 23 -20.707 0.409 1.301 213 HG1 THR 23 HG1 THR 23 -19.821 2.217 0.632 214 1HG2 THR 23 HG21 THR 23 -22.712 1.979 2.970 215 2HG2 THR 23 HG22 THR 23 -22.989 0.537 2.005 216 3HG2 THR 23 HG23 THR 23 -22.845 2.107 1.221 217 H HIS 24 HN HIS 24 -18.664 -0.733 3.323 218 HA HIS 24 HA HIS 24 -20.635 -2.709 4.172 219 1HB HIS 24 HB1 HIS 24 -18.416 -4.075 4.591 220 2HB HIS 24 HB2 HIS 24 -17.604 -2.696 3.859 221 HD1 HIS 24 HD1 HIS 24 -20.374 -5.063 2.923 222 HD2 HIS 24 HD2 HIS 24 -17.526 -2.767 1.136 223 HE1 HIS 24 HE1 HIS 24 -20.510 -5.586 0.510 224 H THR 25 HN THR 25 -19.478 -0.212 5.804 225 HA THR 25 HA THR 25 -18.810 -1.626 8.307 226 HB THR 25 HB THR 25 -18.429 0.773 9.092 227 HG1 THR 25 HG1 THR 25 -19.656 1.101 6.604 228 1HG2 THR 25 HG21 THR 25 -16.702 1.426 7.373 229 2HG2 THR 25 HG22 THR 25 -17.351 0.207 6.282 230 3HG2 THR 25 HG23 THR 25 -16.550 -0.283 7.771 231 H ASP 26 HN ASP 26 -20.271 1.273 8.883 232 HA ASP 26 HA ASP 26 -23.005 0.217 9.141 233 1HB ASP 26 HB1 ASP 26 -22.960 1.065 11.613 234 2HB ASP 26 HB2 ASP 26 -21.204 1.030 11.468 235 H VAL 27 HN VAL 27 -21.568 2.196 7.650 236 HA VAL 27 HA VAL 27 -22.488 4.765 8.771 237 HB VAL 27 HB VAL 27 -20.269 4.646 7.706 238 1HG1 VAL 27 HG11 VAL 27 -20.804 2.748 6.181 239 2HG1 VAL 27 HG12 VAL 27 -20.011 4.069 5.342 240 3HG1 VAL 27 HG13 VAL 27 -21.747 3.837 5.183 241 1HG2 VAL 27 HG21 VAL 27 -21.547 6.134 5.534 242 2HG2 VAL 27 HG22 VAL 27 -20.511 6.723 6.829 243 3HG2 VAL 27 HG23 VAL 27 -22.239 6.528 7.104 244 NH1 ARG 28 NH1 ARG 28 -24.739 -2.348 5.149 245 NH2 ARG 28 NH2 ARG 28 -24.481 -2.140 2.887 246 H ARG 28 HN ARG 28 -24.611 3.155 8.273 247 HA ARG 28 HA ARG 28 -25.855 4.280 5.792 248 1HB ARG 28 HB1 ARG 28 -27.463 2.277 6.181 249 2HB ARG 28 HB2 ARG 28 -26.275 1.702 7.345 250 1HG ARG 28 HG1 ARG 28 -24.580 2.088 5.362 251 2HG ARG 28 HG2 ARG 28 -26.022 1.978 4.364 252 1HD ARG 28 HD1 ARG 28 -26.531 -0.177 5.757 253 2HD ARG 28 HD2 ARG 28 -24.818 -0.116 6.164 254 HE ARG 28 HE ARG 28 -25.318 0.122 3.299 255 1HH1 ARG 28 HH11 ARG 28 -25.000 -1.938 6.022 256 2HH1 ARG 28 HH12 ARG 28 -24.423 -3.297 5.116 257 1HH2 ARG 28 HH21 ARG 28 -24.549 -1.573 2.066 258 2HH2 ARG 28 HH22 ARG 28 -24.161 -3.085 2.818 259 HA PRO 29 HA PRO 29 -27.963 6.208 9.474 260 1HB PRO 29 HB1 PRO 29 -27.518 8.433 9.154 261 2HB PRO 29 HB2 PRO 29 -28.614 8.469 7.772 262 1HG PRO 29 HG1 PRO 29 -25.708 8.504 7.750 263 2HG PRO 29 HG2 PRO 29 -26.805 8.625 6.373 264 1HD PRO 29 HD1 PRO 29 -26.359 6.476 5.780 265 2HD PRO 29 HD2 PRO 29 -25.168 6.390 7.085 266 OH TYR 30 OH TYR 30 -29.635 10.555 3.005 267 H TYR 30 HN TYR 30 -28.952 5.425 6.275 268 HA TYR 30 HA TYR 30 -31.765 6.140 6.798 269 1HB TYR 30 HB1 TYR 30 -32.124 5.157 4.508 270 2HB TYR 30 HB2 TYR 30 -30.441 4.652 4.476 271 HD1 TYR 30 HD1 TYR 30 -32.478 7.733 5.112 272 HD2 TYR 30 HD2 TYR 30 -28.891 6.117 3.496 273 HE1 TYR 30 HE1 TYR 30 -31.834 9.960 4.316 274 HE2 TYR 30 HE2 TYR 30 -28.247 8.344 2.703 275 HH TYR 30 HH TYR 30 -29.176 11.004 3.718 276 H HIS 31 HN HIS 31 -32.189 4.812 8.613 277 HA HIS 31 HA HIS 31 -32.166 1.870 8.115 278 1HB HIS 31 HB1 HIS 31 -32.427 1.660 10.553 279 2HB HIS 31 HB2 HIS 31 -32.725 3.390 10.705 280 HD1 HIS 31 HD1 HIS 31 -29.991 1.035 10.118 281 HD2 HIS 31 HD2 HIS 31 -30.451 5.038 10.575 282 HE1 HIS 31 HE1 HIS 31 -27.739 1.892 10.402 283 H CYS 32 HN CYS 32 -34.028 0.812 7.703 284 HA CYS 32 HA CYS 32 -36.478 2.144 7.286 285 1HB CYS 32 HB1 CYS 32 -35.753 -0.739 7.897 286 2HB CYS 32 HB2 CYS 32 -36.286 -0.059 6.381 287 H THR 33 HN THR 33 -38.345 2.383 8.551 288 HA THR 33 HA THR 33 -37.800 2.665 11.406 289 HB THR 33 HB THR 33 -40.565 2.923 10.130 290 HG1 THR 33 HG1 THR 33 -39.653 5.134 9.749 291 1HG2 THR 33 HG21 THR 33 -40.228 3.430 12.609 292 2HG2 THR 33 HG22 THR 33 -40.647 4.879 11.698 293 3HG2 THR 33 HG23 THR 33 -38.974 4.585 12.165 294 OH TYR 34 OH TYR 34 -44.512 2.101 9.671 295 H TYR 34 HN TYR 34 -38.144 -0.030 9.861 296 HA TYR 34 HA TYR 34 -39.701 -1.304 12.057 297 1HB TYR 34 HB1 TYR 34 -40.863 -2.764 10.421 298 2HB TYR 34 HB2 TYR 34 -40.003 -2.002 9.091 299 HD1 TYR 34 HD2 TYR 34 -40.392 0.509 8.696 300 HD2 TYR 34 HD1 TYR 34 -42.875 -1.814 11.250 301 HE1 TYR 34 HE2 TYR 34 -42.159 2.195 8.511 302 HE2 TYR 34 HE1 TYR 34 -44.644 -0.125 11.060 303 HH TYR 34 HH TYR 34 -45.346 1.685 9.901 304 H CYS 35 HN CYS 35 -38.085 -2.314 9.060 305 HA CYS 35 HA CYS 35 -36.942 -4.665 10.270 306 1HB CYS 35 HB1 CYS 35 -35.768 -4.908 8.168 307 2HB CYS 35 HB2 CYS 35 -35.916 -3.211 7.813 308 H ASN 36 HN ASN 36 -34.475 -4.989 9.914 309 HA ASN 36 HA ASN 36 -33.120 -2.786 11.406 310 1HB ASN 36 HB1 ASN 36 -32.168 -5.664 11.019 311 2HB ASN 36 HB2 ASN 36 -33.223 -5.193 12.348 312 1HD2 ASN 36 HD21 ASN 36 -32.310 -3.960 14.083 313 2HD2 ASN 36 HD22 ASN 36 -30.647 -3.634 14.200 314 H PHE 37 HN PHE 37 -33.576 -3.502 8.369 315 HA PHE 37 HA PHE 37 -30.797 -3.593 7.424 316 1HB PHE 37 HB1 PHE 37 -33.124 -2.972 5.617 317 2HB PHE 37 HB2 PHE 37 -33.084 -4.566 6.364 318 HD1 PHE 37 HD2 PHE 37 -30.703 -5.774 6.245 319 HD2 PHE 37 HD1 PHE 37 -31.972 -2.685 3.606 320 HE1 PHE 37 HE2 PHE 37 -29.050 -6.510 4.585 321 HE2 PHE 37 HE1 PHE 37 -30.319 -3.426 1.947 322 HZ PHE 37 HZ PHE 37 -28.857 -5.337 2.436 323 H SER 38 HN SER 38 -29.683 -1.911 6.515 324 HA SER 38 HA SER 38 -31.073 0.721 6.438 325 1HB SER 38 HB1 SER 38 -28.203 0.416 7.388 326 2HB SER 38 HB2 SER 38 -29.553 0.314 8.523 327 HG SER 38 HG1 SER 38 -30.301 2.309 7.672 328 H PHE 39 HN PHE 39 -30.256 2.224 5.000 329 HA PHE 39 HA PHE 39 -28.467 1.068 2.904 330 1HB PHE 39 HB1 PHE 39 -29.815 2.182 1.263 331 2HB PHE 39 HB2 PHE 39 -30.557 3.229 2.470 332 HD1 PHE 39 HD2 PHE 39 -32.189 2.261 4.111 333 HD2 PHE 39 HD1 PHE 39 -30.662 -0.058 0.882 334 HE1 PHE 39 HE2 PHE 39 -33.992 0.626 4.430 335 HE2 PHE 39 HE1 PHE 39 -32.489 -1.673 1.188 336 HZ PHE 39 HZ PHE 39 -34.159 -1.325 2.955 337 H LYS 40 HN LYS 40 -27.212 2.622 1.708 338 HA LYS 40 HA LYS 40 -26.124 4.688 3.503 339 1HB LYS 40 HB1 LYS 40 -25.289 3.562 0.794 340 2HB LYS 40 HB2 LYS 40 -24.576 3.187 2.342 341 1HG LYS 40 HG1 LYS 40 -24.475 5.881 0.940 342 2HG LYS 40 HG2 LYS 40 -23.136 4.767 1.150 343 1HD LYS 40 HD1 LYS 40 -23.639 4.956 3.681 344 2HD LYS 40 HD2 LYS 40 -24.553 6.395 3.253 345 1HE LYS 40 HE1 LYS 40 -21.603 5.879 2.996 346 2HE LYS 40 HE2 LYS 40 -22.426 7.290 3.645 347 1HZ LYS 40 HZ1 LYS 40 -21.790 8.095 1.645 348 2HZ LYS 40 HZ2 LYS 40 -23.288 7.439 1.188 349 3HZ LYS 40 HZ3 LYS 40 -21.855 6.585 0.871 350 H THR 41 HN THR 41 -28.287 4.459 0.892 351 HA THR 41 HA THR 41 -28.163 7.428 0.549 352 HB THR 41 HB THR 41 -28.392 7.172 -1.844 353 HG1 THR 41 HG1 THR 41 -30.041 5.687 -1.813 354 1HG2 THR 41 HG21 THR 41 -26.560 5.713 -2.465 355 2HG2 THR 41 HG22 THR 41 -26.939 4.562 -1.188 356 3HG2 THR 41 HG23 THR 41 -26.170 6.096 -0.791 357 H LYS 42 HN LYS 42 -30.133 8.414 -0.113 358 HA LYS 42 HA LYS 42 -32.409 7.290 1.254 359 1HB LYS 42 HB1 LYS 42 -32.096 9.740 -0.538 360 2HB LYS 42 HB2 LYS 42 -32.039 9.729 1.221 361 1HG LYS 42 HG1 LYS 42 -34.416 8.659 1.057 362 2HG LYS 42 HG2 LYS 42 -34.409 9.283 -0.589 363 1HD LYS 42 HD1 LYS 42 -33.641 11.524 0.552 364 2HD LYS 42 HD2 LYS 42 -34.317 10.802 2.007 365 1HE LYS 42 HE1 LYS 42 -36.353 10.278 0.350 366 2HE LYS 42 HE2 LYS 42 -35.701 11.676 -0.496 367 1HZ LYS 42 HZ1 LYS 42 -37.289 11.633 1.794 368 2HZ LYS 42 HZ2 LYS 42 -36.646 12.982 0.986 369 3HZ LYS 42 HZ3 LYS 42 -35.770 12.248 2.243 370 H GLY 43 HN GLY 43 -31.154 6.999 -1.875 371 1HA GLY 43 HA1 GLY 43 -32.034 6.034 -3.831 372 2HA GLY 43 HA2 GLY 43 -33.575 6.767 -3.392 373 H ASN 44 HN ASN 44 -31.461 4.117 -2.316 374 HA ASN 44 HA ASN 44 -33.232 2.020 -2.782 375 1HB ASN 44 HB1 ASN 44 -31.970 0.947 -0.751 376 2HB ASN 44 HB2 ASN 44 -31.073 2.459 -0.692 377 1HD2 ASN 44 HD21 ASN 44 -29.289 0.721 -1.257 378 2HD2 ASN 44 HD22 ASN 44 -28.997 0.478 -2.912 379 H LEU 45 HN LEU 45 -33.339 4.415 -0.289 380 HA LEU 45 HA LEU 45 -34.969 2.981 1.583 381 1HB LEU 45 HB1 LEU 45 -35.183 5.971 1.064 382 2HB LEU 45 HB2 LEU 45 -33.715 5.315 1.765 383 HG LEU 45 HG LEU 45 -35.299 6.111 3.509 384 1HD1 LEU 45 HD11 LEU 45 -37.167 3.864 2.713 385 2HD1 LEU 45 HD12 LEU 45 -37.347 5.485 2.061 386 3HD1 LEU 45 HD13 LEU 45 -37.473 5.213 3.794 387 1HD2 LEU 45 HD21 LEU 45 -33.817 3.844 3.574 388 2HD2 LEU 45 HD22 LEU 45 -35.397 3.150 3.887 389 3HD2 LEU 45 HD23 LEU 45 -34.762 4.401 4.946 390 H THR 46 HN THR 46 -35.859 5.447 -0.829 391 HA THR 46 HA THR 46 -38.644 5.216 -0.596 392 HB THR 46 HB THR 46 -37.053 5.625 -3.203 393 HG1 THR 46 HG1 THR 46 -37.984 7.431 -1.206 394 1HG2 THR 46 HG21 THR 46 -39.053 7.221 -3.591 395 2HG2 THR 46 HG22 THR 46 -39.825 6.481 -2.192 396 3HG2 THR 46 HG23 THR 46 -39.494 5.517 -3.627 397 H LYS 47 HN LYS 47 -36.340 3.157 -2.247 398 HA LYS 47 HA LYS 47 -38.298 1.635 -3.719 399 1HB LYS 47 HB1 LYS 47 -35.515 0.844 -2.732 400 2HB LYS 47 HB2 LYS 47 -35.861 1.621 -4.271 401 1HG LYS 47 HG1 LYS 47 -37.456 -0.385 -4.688 402 2HG LYS 47 HG2 LYS 47 -36.595 -1.166 -3.367 403 1HD LYS 47 HD1 LYS 47 -34.445 -0.442 -4.682 404 2HD LYS 47 HD2 LYS 47 -35.541 -0.291 -6.049 405 1HE LYS 47 HE1 LYS 47 -34.589 -2.547 -6.017 406 2HE LYS 47 HE2 LYS 47 -36.308 -2.632 -5.655 407 1HZ LYS 47 HZ1 LYS 47 -34.193 -2.555 -3.581 408 2HZ LYS 47 HZ2 LYS 47 -34.877 -3.989 -4.182 409 3HZ LYS 47 HZ3 LYS 47 -35.847 -2.868 -3.355 410 H HIS 48 HN HIS 48 -36.666 1.078 -0.600 411 HA HIS 48 HA HIS 48 -38.027 -1.420 -0.117 412 1HB HIS 48 HB1 HIS 48 -36.729 0.562 1.827 413 2HB HIS 48 HB2 HIS 48 -35.941 -0.829 1.092 414 HD1 HIS 48 HD1 HIS 48 -37.613 -3.073 1.622 415 HD2 HIS 48 HD2 HIS 48 -37.528 -0.064 4.391 416 HE1 HIS 48 HE1 HIS 48 -38.408 -4.083 3.702 417 H MET 49 HN MET 49 -38.954 1.870 0.176 418 HA MET 49 HA MET 49 -41.185 1.193 2.012 419 1HB MET 49 HB1 MET 49 -41.614 3.769 1.633 420 2HB MET 49 HB2 MET 49 -40.015 3.765 0.897 421 1HG MET 49 HG1 MET 49 -39.677 4.294 3.188 422 2HG MET 49 HG2 MET 49 -39.153 2.645 2.976 423 1HE MET 49 HE1 MET 49 -40.781 4.890 5.498 424 2HE MET 49 HE2 MET 49 -39.277 3.969 5.479 425 3HE MET 49 HE3 MET 49 -40.559 3.540 6.611 426 H LYS 50 HN LYS 50 -40.551 1.988 -1.330 427 HA LYS 50 HA LYS 50 -43.127 2.718 -2.196 428 1HB LYS 50 HB1 LYS 50 -41.162 0.889 -3.663 429 2HB LYS 50 HB2 LYS 50 -41.034 2.644 -3.627 430 1HG LYS 50 HG1 LYS 50 -43.357 2.767 -4.597 431 2HG LYS 50 HG2 LYS 50 -43.328 1.015 -4.770 432 1HD LYS 50 HD1 LYS 50 -41.475 1.112 -6.303 433 2HD LYS 50 HD2 LYS 50 -41.201 2.816 -5.962 434 1HE LYS 50 HE1 LYS 50 -43.496 3.302 -6.876 435 2HE LYS 50 HE2 LYS 50 -43.619 1.611 -7.346 436 1HZ LYS 50 HZ1 LYS 50 -42.240 1.897 -9.061 437 2HZ LYS 50 HZ2 LYS 50 -41.209 2.949 -8.215 438 3HZ LYS 50 HZ3 LYS 50 -42.642 3.541 -8.908 439 H SER 51 HN SER 51 -41.754 -0.511 -1.732 440 HA SER 51 HA SER 51 -44.011 -1.964 -2.699 441 1HB SER 51 HB1 SER 51 -42.047 -2.776 -0.484 442 2HB SER 51 HB2 SER 51 -41.741 -2.981 -2.220 443 HG SER 51 HG1 SER 51 -42.854 -4.756 -0.938 444 H LYS 52 HN LYS 52 -45.663 -3.039 -1.526 445 HA LYS 52 HA LYS 52 -46.798 -1.394 0.582 446 1HB LYS 52 HB1 LYS 52 -48.242 -2.561 -1.063 447 2HB LYS 52 HB2 LYS 52 -48.608 -3.149 0.555 448 1HG LYS 52 HG1 LYS 52 -47.218 -5.124 0.202 449 2HG LYS 52 HG2 LYS 52 -46.691 -4.514 -1.362 450 1HD LYS 52 HD1 LYS 52 -49.629 -4.669 -0.986 451 2HD LYS 52 HD2 LYS 52 -48.794 -6.218 -1.048 452 1HE LYS 52 HE1 LYS 52 -49.492 -5.448 -3.311 453 2HE LYS 52 HE2 LYS 52 -47.744 -5.596 -3.179 454 1HZ LYS 52 HZ1 LYS 52 -49.152 -3.038 -2.714 455 2HZ LYS 52 HZ2 LYS 52 -48.616 -3.516 -4.254 456 3HZ LYS 52 HZ3 LYS 52 -47.497 -3.291 -2.997 457 H ALA 53 HN ALA 53 -44.217 -2.800 1.096 458 HA ALA 53 HA ALA 53 -44.487 -4.996 2.827 459 1HB ALA 53 HB1 ALA 53 -42.277 -4.160 2.160 460 2HB ALA 53 HB2 ALA 53 -42.371 -4.068 3.915 461 3HB ALA 53 HB3 ALA 53 -42.576 -2.613 2.946 462 H HIS 54 HN HIS 54 -43.466 -2.083 4.441 463 HA HIS 54 HA HIS 54 -45.939 -2.039 6.060 464 1HB HIS 54 HB1 HIS 54 -44.745 -3.498 7.463 465 2HB HIS 54 HB2 HIS 54 -44.227 -1.947 8.112 466 HD1 HIS 54 HD1 HIS 54 -42.896 -4.912 6.585 467 HD2 HIS 54 HD2 HIS 54 -41.583 -1.069 7.057 468 HE1 HIS 54 HE1 HIS 54 -40.467 -4.997 6.249 469 H SER 55 HN SER 55 -46.208 0.024 5.091 470 HA SER 55 HA SER 55 -44.693 2.115 6.544 471 1HB SER 55 HB1 SER 55 -45.107 2.300 3.517 472 2HB SER 55 HB2 SER 55 -43.608 1.675 4.230 473 HG SER 55 HG1 SER 55 -43.178 3.592 5.069 474 H LYS 56 HN LYS 56 -46.901 2.016 7.537 475 HA LYS 56 HA LYS 56 -49.128 3.048 5.960 476 1HB LYS 56 HB1 LYS 56 -50.212 3.198 8.282 477 2HB LYS 56 HB2 LYS 56 -48.694 2.605 8.950 478 1HG LYS 56 HG1 LYS 56 -48.992 0.708 7.128 479 2HG LYS 56 HG2 LYS 56 -50.686 1.177 7.213 480 1HD LYS 56 HD1 LYS 56 -50.651 -0.388 8.918 481 2HD LYS 56 HD2 LYS 56 -50.205 1.043 9.842 482 1HE LYS 56 HE1 LYS 56 -47.802 0.495 9.488 483 2HE LYS 56 HE2 LYS 56 -48.275 -0.961 8.624 484 1HZ LYS 56 HZ1 LYS 56 -47.722 -1.351 10.969 485 2HZ LYS 56 HZ2 LYS 56 -49.312 -1.808 10.586 486 3HZ LYS 56 HZ3 LYS 56 -49.023 -0.362 11.429 487 H LYS 57 HN LYS 57 -48.234 4.406 9.071 488 HA LYS 57 HA LYS 57 -48.956 7.035 8.413 489 1HB LYS 57 HB1 LYS 57 -47.114 7.509 10.324 490 2HB LYS 57 HB2 LYS 57 -47.196 5.759 10.498 491 1HG LYS 57 HG1 LYS 57 -49.575 7.645 10.594 492 2HG LYS 57 HG2 LYS 57 -48.823 6.886 11.992 493 1HD LYS 57 HD1 LYS 57 -49.292 4.641 10.900 494 2HD LYS 57 HD2 LYS 57 -50.247 5.503 9.700 495 1HE LYS 57 HE1 LYS 57 -51.660 4.645 11.561 496 2HE LYS 57 HE2 LYS 57 -51.702 6.401 11.464 497 1HZ LYS 57 HZ1 LYS 57 -49.697 5.136 13.185 498 2HZ LYS 57 HZ2 LYS 57 -51.307 5.202 13.721 499 3HZ LYS 57 LYS 57 -50.477 6.636 13.351 Start of MODEL 60 Raw file had 499 H/Q atoms Start of MODEL 60 1 1H LYS 1 HT1 LYS 1 -8.467 -6.902 -7.535 2 2H LYS 1 HT2 LYS 1 -8.026 -7.044 -9.168 3 3H LYS 1 HT3 LYS 1 -9.631 -6.679 -8.752 4 HA LYS 1 HA LYS 1 -7.349 -4.927 -8.052 5 1HB LYS 1 HB1 LYS 1 -7.702 -3.684 -10.051 6 2HB LYS 1 HB2 LYS 1 -9.298 -4.374 -10.315 7 1HG LYS 1 HG1 LYS 1 -7.622 -5.294 -11.907 8 2HG LYS 1 HG2 LYS 1 -8.291 -6.550 -10.874 9 1HD LYS 1 HD1 LYS 1 -6.326 -6.506 -9.444 10 2HD LYS 1 HD2 LYS 1 -5.696 -5.090 -10.279 11 1HE LYS 1 HE1 LYS 1 -6.270 -7.673 -11.743 12 2HE LYS 1 HE2 LYS 1 -4.722 -7.382 -10.960 13 1HZ LYS 1 HZ1 LYS 1 -5.668 -6.419 -13.438 14 2HZ LYS 1 HZ2 LYS 1 -4.116 -6.289 -12.760 15 3HZ LYS 1 HZ3 LYS 1 -5.291 -5.110 -12.423 16 OH TYR 2 OH TYR 2 -7.003 0.702 -7.919 17 H TYR 2 HN TYR 2 -10.770 -4.881 -9.065 18 HA TYR 2 HA TYR 2 -11.417 -3.488 -6.530 19 1HB TYR 2 HB1 TYR 2 -12.639 -1.713 -7.792 20 2HB TYR 2 HB2 TYR 2 -12.096 -2.417 -9.311 21 HD1 TYR 2 HD2 TYR 2 -10.864 -0.869 -6.150 22 HD2 TYR 2 HD1 TYR 2 -9.940 -1.901 -10.172 23 HE1 TYR 2 HE2 TYR 2 -8.778 0.414 -6.002 24 HE2 TYR 2 HE1 TYR 2 -7.855 -0.622 -10.022 25 HH TYR 2 HH TYR 2 -6.466 0.316 -7.222 26 H ILE 3 HN ILE 3 -12.058 -6.087 -7.249 27 HA ILE 3 HA ILE 3 -14.948 -5.929 -7.977 28 HB ILE 3 HB ILE 3 -13.271 -8.456 -7.757 29 1HG1 ILE 3 HG11 ILE 3 -13.162 -6.307 -9.795 30 2HG1 ILE 3 HG12 ILE 3 -13.359 -7.933 -10.441 31 1HG2 ILE 3 HG21 ILE 3 -15.821 -8.513 -7.982 32 2HG2 ILE 3 HG22 ILE 3 -14.982 -9.316 -9.304 33 3HG2 ILE 3 HG23 ILE 3 -15.648 -7.703 -9.536 34 1HD1 ILE 3 HD1 ILE 3 -11.361 -8.706 -9.397 35 2HD1 ILE 3 HD2 ILE 3 -11.281 -7.306 -8.333 36 3HD1 ILE 3 HD3 ILE 3 -10.940 -7.125 -10.051 37 H CYS 4 HN CYS 4 -16.007 -5.548 -6.061 38 HA CYS 4 HA CYS 4 -15.283 -6.331 -3.503 39 1HB CYS 4 HB1 CYS 4 -17.961 -6.057 -4.840 40 2HB CYS 4 HB2 CYS 4 -17.234 -5.018 -3.650 41 H GLU 5 HN GLU 5 -14.998 -8.179 -2.514 42 HA GLU 5 HA GLU 5 -15.320 -10.680 -3.859 43 1HB GLU 5 HB1 GLU 5 -14.425 -11.647 -1.838 44 2HB GLU 5 HB2 GLU 5 -14.997 -10.301 -0.859 45 1HG GLU 5 HG1 GLU 5 -13.344 -8.834 -1.690 46 2HG GLU 5 HG2 GLU 5 -13.047 -9.829 -3.113 47 H GLU 6 HN GLU 6 -17.533 -8.803 -2.060 48 HA GLU 6 HA GLU 6 -19.158 -11.145 -1.353 49 1HB GLU 6 HB1 GLU 6 -19.864 -8.224 -0.904 50 2HB GLU 6 HB2 GLU 6 -18.790 -9.094 0.182 51 1HG GLU 6 HG1 GLU 6 -20.586 -10.817 0.502 52 2HG GLU 6 HG2 GLU 6 -21.660 -9.832 -0.489 53 H CYS 7 HN CYS 7 -20.087 -7.998 -2.700 54 HA CYS 7 HA CYS 7 -22.301 -9.203 -4.131 55 1HB CYS 7 HB1 CYS 7 -22.869 -7.011 -4.737 56 2HB CYS 7 HB2 CYS 7 -21.215 -6.485 -4.800 57 H GLY 8 HN GLY 8 -19.104 -7.976 -5.056 58 1HA GLY 8 HA1 GLY 8 -19.429 -9.403 -7.647 59 2HA GLY 8 HA2 GLY 8 -17.895 -8.914 -6.945 60 H ILE 9 HN ILE 9 -19.427 -6.249 -6.338 61 HA ILE 9 HA ILE 9 -20.055 -5.024 -8.798 62 HB ILE 9 HB ILE 9 -20.299 -4.174 -6.298 63 1HG1 ILE 9 HG11 ILE 9 -19.863 -2.605 -8.810 64 2HG1 ILE 9 HG12 ILE 9 -20.058 -1.727 -7.298 65 1HG2 ILE 9 HG21 ILE 9 -17.735 -2.708 -7.121 66 2HG2 ILE 9 HG22 ILE 9 -17.714 -4.099 -6.044 67 3HG2 ILE 9 HG23 ILE 9 -18.556 -2.639 -5.575 68 1HD1 ILE 9 HD1 ILE 9 -21.969 -3.952 -7.961 69 2HD1 ILE 9 HD2 ILE 9 -22.189 -2.375 -8.714 70 3HD1 ILE 9 HD3 ILE 9 -22.231 -2.528 -6.960 71 NH1 ARG 10 NH2 ARG 10 -16.023 -5.452 -16.903 72 NH2 ARG 10 NH1 ARG 10 -13.984 -6.483 -16.836 73 H ARG 10 HN ARG 10 -18.856 -4.412 -10.478 74 HA ARG 10 HA ARG 10 -15.895 -4.534 -10.175 75 1HB ARG 10 HB1 ARG 10 -17.538 -4.356 -12.741 76 2HB ARG 10 HB2 ARG 10 -17.136 -5.885 -11.972 77 1HG ARG 10 HG1 ARG 10 -14.679 -5.100 -12.070 78 2HG ARG 10 HG2 ARG 10 -15.244 -3.850 -13.172 79 1HD ARG 10 HD1 ARG 10 -16.443 -6.083 -14.231 80 2HD ARG 10 HD2 ARG 10 -14.930 -6.754 -13.624 81 HE ARG 10 HE ARG 10 -14.077 -4.514 -14.958 82 1HH1 ARG 10 HH21 ARG 10 -16.706 -4.876 -16.454 83 2HH1 ARG 10 HH22 ARG 10 -16.195 -5.810 -17.821 84 1HH2 ARG 10 HH11 ARG 10 -13.140 -6.680 -16.337 85 2HH2 ARG 10 HH12 ARG 10 -14.123 -6.858 -17.752 86 H ABA 11 HN ABU 11 -15.210 -2.577 -9.505 87 HA ABA 11 HA ABU 11 -15.975 -0.216 -11.194 88 1HB ABA 11 HB1 ABU 11 -15.693 1.179 -9.185 89 2HB ABA 11 HB2 ABU 11 -15.158 -0.199 -8.252 90 1HG ABA 11 HG1 ABU 11 -17.491 -1.223 -8.916 91 2HG ABA 11 HG2 ABU 11 -17.926 0.451 -9.231 92 3HG ABA 11 HG3 ABU 11 -17.413 -0.037 -7.620 93 H LYS 12 HN LYS 12 -14.234 -0.229 -12.545 94 HA LYS 12 HA LYS 12 -11.575 -0.850 -11.903 95 1HB LYS 12 HB1 LYS 12 -11.004 0.473 -13.939 96 2HB LYS 12 HB2 LYS 12 -12.604 1.205 -13.911 97 1HG LYS 12 HG1 LYS 12 -13.676 -0.823 -14.461 98 2HG LYS 12 HG2 LYS 12 -12.297 -1.795 -13.960 99 1HD LYS 12 HD1 LYS 12 -11.035 -1.194 -15.881 100 2HD LYS 12 HD2 LYS 12 -12.089 0.165 -16.251 101 1HE LYS 12 HE1 LYS 12 -13.044 -2.711 -16.273 102 2HE LYS 12 HE2 LYS 12 -12.429 -1.900 -17.707 103 1HZ LYS 12 HZ1 LYS 12 -14.724 -0.982 -16.068 104 2HZ LYS 12 HZ2 LYS 12 -14.835 -1.781 -17.562 105 3HZ LYS 12 HZ3 LYS 12 -14.142 -0.233 -17.477 106 H LYS 13 HN LYS 13 -13.380 1.833 -10.842 107 HA LYS 13 HA LYS 13 -10.915 3.420 -10.380 108 1HB LYS 13 HB1 LYS 13 -12.537 5.258 -9.799 109 2HB LYS 13 HB2 LYS 13 -13.861 4.136 -10.090 110 1HG LYS 13 HG1 LYS 13 -12.898 3.782 -12.422 111 2HG LYS 13 HG2 LYS 13 -11.819 5.133 -12.097 112 1HD LYS 13 HD1 LYS 13 -14.854 5.229 -12.014 113 2HD LYS 13 HD2 LYS 13 -13.840 5.908 -13.282 114 1HE LYS 13 HE1 LYS 13 -14.148 7.791 -11.956 115 2HE LYS 13 HE2 LYS 13 -12.680 7.143 -11.235 116 1HZ LYS 13 HZ1 LYS 13 -14.690 5.840 -9.940 117 2HZ LYS 13 HZ2 LYS 13 -15.283 7.423 -10.106 118 3HZ LYS 13 HZ3 LYS 13 -13.793 7.152 -9.339 119 HA PRO 14 HA PRO 14 -10.894 2.193 -6.079 120 1HB PRO 14 HB1 PRO 14 -8.890 3.171 -5.490 121 2HB PRO 14 HB2 PRO 14 -9.775 4.645 -5.091 122 1HG PRO 14 HG1 PRO 14 -7.925 4.327 -7.225 123 2HG PRO 14 HG2 PRO 14 -9.014 5.696 -6.987 124 1HD PRO 14 HD1 PRO 14 -10.112 5.044 -8.891 125 2HD PRO 14 HD2 PRO 14 -9.177 3.537 -8.953 126 H SER 15 HN SER 15 -11.316 5.734 -6.130 127 HA SER 15 HA SER 15 -12.898 6.204 -3.981 128 1HB SER 15 HB1 SER 15 -12.384 7.976 -5.657 129 2HB SER 15 HB2 SER 15 -14.139 7.937 -5.404 130 HG SER 15 HG1 SER 15 -13.409 6.067 -7.187 131 H MET 16 HN MET 16 -14.094 4.768 -6.992 132 HA MET 16 HA MET 16 -16.830 4.617 -6.089 133 1HB MET 16 HB1 MET 16 -16.866 2.764 -7.957 134 2HB MET 16 HB2 MET 16 -15.206 3.263 -8.270 135 1HG MET 16 HG1 MET 16 -15.966 5.586 -8.563 136 2HG MET 16 HG2 MET 16 -17.609 5.095 -8.247 137 1HE MET 16 HE1 MET 16 -17.899 6.719 -10.226 138 2HE MET 16 HE2 MET 16 -19.132 5.460 -10.164 139 3HE MET 16 HE3 MET 16 -18.428 5.931 -11.712 140 H LEU 17 HN LEU 17 -14.263 2.133 -6.364 141 HA LEU 17 HA LEU 17 -15.824 0.144 -5.005 142 1HB LEU 17 HB1 LEU 17 -12.790 0.231 -5.017 143 2HB LEU 17 HB2 LEU 17 -13.661 -0.102 -6.492 144 HG LEU 17 HG LEU 17 -12.949 -2.188 -5.279 145 1HD1 LEU 17 HD11 LEU 17 -13.851 -2.790 -3.170 146 2HD1 LEU 17 HD12 LEU 17 -15.033 -1.493 -3.203 147 3HD1 LEU 17 HD13 LEU 17 -13.329 -1.123 -2.981 148 1HD2 LEU 17 HD21 LEU 17 -14.883 -3.390 -5.780 149 2HD2 LEU 17 HD22 LEU 17 -15.150 -1.921 -6.702 150 3HD2 LEU 17 HD23 LEU 17 -15.960 -2.148 -5.164 151 H LYS 18 HN LYS 18 -12.975 1.987 -3.968 152 HA LYS 18 HA LYS 18 -12.680 1.395 -1.353 153 1HB LYS 18 HB1 LYS 18 -12.978 4.277 -2.324 154 2HB LYS 18 HB2 LYS 18 -11.545 3.302 -2.621 155 1HG LYS 18 HG1 LYS 18 -12.661 3.931 0.140 156 2HG LYS 18 HG2 LYS 18 -11.323 4.790 -0.606 157 1HD LYS 18 HD1 LYS 18 -10.524 2.164 -0.888 158 2HD LYS 18 HD2 LYS 18 -11.368 2.122 0.655 159 1HE LYS 18 HE1 LYS 18 -10.023 4.210 1.283 160 2HE LYS 18 HE2 LYS 18 -9.042 3.888 -0.141 161 1HZ LYS 18 HZ1 LYS 18 -9.109 2.525 2.398 162 2HZ LYS 18 HZ2 LYS 18 -7.860 2.634 1.253 163 3HZ LYS 18 HZ3 LYS 18 -9.096 1.487 1.054 164 H LYS 19 HN LYS 19 -15.228 3.559 -2.560 165 HA LYS 19 HA LYS 19 -16.371 3.916 0.056 166 1HB LYS 19 HB1 LYS 19 -17.837 4.228 -2.594 167 2HB LYS 19 HB2 LYS 19 -16.652 5.414 -2.060 168 1HG LYS 19 HG1 LYS 19 -17.956 6.100 -0.246 169 2HG LYS 19 HG2 LYS 19 -18.823 4.572 -0.162 170 1HD LYS 19 HD1 LYS 19 -20.280 6.351 -1.068 171 2HD LYS 19 HD2 LYS 19 -19.985 5.113 -2.282 172 1HE LYS 19 HE1 LYS 19 -18.546 6.481 -3.519 173 2HE LYS 19 HE2 LYS 19 -18.141 7.482 -2.131 174 1HZ LYS 19 HZ1 LYS 19 -20.674 8.052 -2.263 175 2HZ LYS 19 HZ2 LYS 19 -20.477 7.594 -3.887 176 3HZ LYS 19 HZ3 LYS 19 -19.543 8.857 -3.242 177 H HIS 20 HN HIS 20 -17.059 1.842 -2.712 178 HA HIS 20 HA HIS 20 -19.464 0.679 -1.787 179 1HB HIS 20 HB1 HIS 20 -17.202 -0.604 -3.366 180 2HB HIS 20 HB2 HIS 20 -18.543 0.290 -4.077 181 HD1 HIS 20 HD1 HIS 20 -20.501 -1.196 -4.559 182 HD2 HIS 20 HD2 HIS 20 -18.012 -2.938 -1.848 183 HE1 HIS 20 HE1 HIS 20 -21.423 -3.432 -4.172 184 H ILE 21 HN ILE 21 -16.115 -0.493 -1.413 185 HA ILE 21 HA ILE 21 -16.836 -2.718 0.202 186 HB ILE 21 HB ILE 21 -14.521 -2.024 -0.932 187 1HG1 ILE 21 HG11 ILE 21 -15.061 -3.651 1.538 188 2HG1 ILE 21 HG12 ILE 21 -13.408 -3.487 0.959 189 1HG2 ILE 21 HG21 ILE 21 -12.940 -1.033 0.584 190 2HG2 ILE 21 HG22 ILE 21 -13.981 -1.287 1.979 191 3HG2 ILE 21 HG23 ILE 21 -14.378 -0.059 0.792 192 1HD1 ILE 21 HD1 ILE 21 -15.492 -4.138 -1.076 193 2HD1 ILE 21 HD2 ILE 21 -15.050 -5.415 0.052 194 3HD1 ILE 21 HD3 ILE 21 -13.821 -4.679 -0.972 195 NH1 ARG 22 NH2 ARG 22 -13.494 5.973 5.061 196 NH2 ARG 22 NH1 ARG 22 -15.661 6.546 4.617 197 H ARG 22 HN ARG 22 -16.327 0.652 1.002 198 HA ARG 22 HA ARG 22 -16.210 0.174 3.877 199 1HB ARG 22 HB1 ARG 22 -16.839 2.737 3.843 200 2HB ARG 22 HB2 ARG 22 -16.633 2.608 2.100 201 1HG ARG 22 HG1 ARG 22 -14.339 1.782 2.405 202 2HG ARG 22 HG2 ARG 22 -14.541 1.814 4.153 203 1HD ARG 22 HD1 ARG 22 -14.801 4.258 2.366 204 2HD ARG 22 HD2 ARG 22 -13.345 3.842 3.267 205 HE ARG 22 HE ARG 22 -15.569 3.895 5.068 206 1HH1 ARG 22 HH21 ARG 22 -12.793 5.265 5.127 207 2HH1 ARG 22 HH22 ARG 22 -13.263 6.926 5.259 208 1HH2 ARG 22 HH11 ARG 22 -16.584 6.266 4.352 209 2HH2 ARG 22 HH12 ARG 22 -15.466 7.509 4.808 210 H THR 23 HN THR 23 -18.719 0.276 1.553 211 HA THR 23 HA THR 23 -20.783 1.137 3.406 212 HB THR 23 HB THR 23 -21.327 -0.537 0.901 213 HG1 THR 23 HG1 THR 23 -19.792 0.943 0.282 214 1HG2 THR 23 HG21 THR 23 -22.536 1.998 2.154 215 2HG2 THR 23 HG22 THR 23 -23.276 0.404 2.226 216 3HG2 THR 23 HG23 THR 23 -23.131 1.238 0.682 217 H HIS 24 HN HIS 24 -19.162 -1.841 2.800 218 HA HIS 24 HA HIS 24 -21.326 -3.543 3.792 219 1HB HIS 24 HB1 HIS 24 -19.241 -5.169 4.069 220 2HB HIS 24 HB2 HIS 24 -18.366 -3.919 3.194 221 HD1 HIS 24 HD1 HIS 24 -21.420 -6.047 2.661 222 HD2 HIS 24 HD2 HIS 24 -18.644 -4.021 0.482 223 HE1 HIS 24 HE1 HIS 24 -21.852 -6.643 0.297 224 H THR 25 HN THR 25 -19.757 -1.207 5.303 225 HA THR 25 HA THR 25 -19.028 -2.688 7.752 226 HB THR 25 HB THR 25 -18.399 -0.306 8.495 227 HG1 THR 25 HG1 THR 25 -19.962 0.076 6.320 228 1HG2 THR 25 HG21 THR 25 -16.736 -1.661 7.094 229 2HG2 THR 25 HG22 THR 25 -16.628 0.070 6.785 230 3HG2 THR 25 HG23 THR 25 -17.481 -0.975 5.653 231 H ASP 26 HN ASP 26 -20.194 0.373 8.329 232 HA ASP 26 HA ASP 26 -22.965 -0.419 8.853 233 1HB ASP 26 HB1 ASP 26 -22.638 0.408 11.313 234 2HB ASP 26 HB2 ASP 26 -20.913 0.179 11.030 235 H VAL 27 HN VAL 27 -21.455 1.434 7.256 236 HA VAL 27 HA VAL 27 -22.068 4.064 8.462 237 HB VAL 27 HB VAL 27 -19.922 3.764 7.285 238 1HG1 VAL 27 HG11 VAL 27 -20.677 1.947 5.771 239 2HG1 VAL 27 HG12 VAL 27 -19.846 3.220 4.894 240 3HG1 VAL 27 HG13 VAL 27 -21.601 3.117 4.845 241 1HG2 VAL 27 HG21 VAL 27 -21.733 5.826 6.811 242 2HG2 VAL 27 HG22 VAL 27 -21.175 5.390 5.200 243 3HG2 VAL 27 HG23 VAL 27 -20.014 5.863 6.434 244 NH1 ARG 28 NH2 ARG 28 -26.260 -1.896 7.286 245 NH2 ARG 28 NH1 ARG 28 -24.036 -2.402 7.429 246 H ARG 28 HN ARG 28 -24.328 2.611 8.027 247 HA ARG 28 HA ARG 28 -25.600 3.910 5.651 248 1HB ARG 28 HB1 ARG 28 -27.322 2.008 6.044 249 2HB ARG 28 HB2 ARG 28 -26.117 1.297 7.109 250 1HG ARG 28 HG1 ARG 28 -24.544 1.742 4.988 251 2HG ARG 28 HG2 ARG 28 -26.079 1.615 4.138 252 1HD ARG 28 HD1 ARG 28 -25.020 -0.604 4.306 253 2HD ARG 28 HD2 ARG 28 -26.498 -0.568 5.264 254 HE ARG 28 HE ARG 28 -23.990 0.053 6.701 255 1HH1 ARG 28 HH21 ARG 28 -26.978 -1.274 6.973 256 2HH1 ARG 28 HH22 ARG 28 -26.502 -2.729 7.785 257 1HH2 ARG 28 HH11 ARG 28 -23.088 -2.159 7.224 258 2HH2 ARG 28 HH12 ARG 28 -24.239 -3.243 7.930 259 HA PRO 29 HA PRO 29 -27.430 5.807 9.474 260 1HB PRO 29 HB1 PRO 29 -26.982 8.038 9.165 261 2HB PRO 29 HB2 PRO 29 -28.111 8.108 7.812 262 1HG PRO 29 HG1 PRO 29 -25.190 8.021 7.730 263 2HG PRO 29 HG2 PRO 29 -26.314 8.273 6.393 264 1HD PRO 29 HD1 PRO 29 -26.061 6.119 5.702 265 2HD PRO 29 HD2 PRO 29 -24.781 5.921 6.912 266 OH TYR 30 OH TYR 30 -29.465 10.690 3.010 267 H TYR 30 HN TYR 30 -28.686 5.788 6.158 268 HA TYR 30 HA TYR 30 -31.426 6.277 6.880 269 1HB TYR 30 HB1 TYR 30 -31.894 5.289 4.597 270 2HB TYR 30 HB2 TYR 30 -30.211 4.786 4.500 271 HD1 TYR 30 HD1 TYR 30 -32.240 7.861 5.197 272 HD2 TYR 30 HD2 TYR 30 -28.682 6.259 3.503 273 HE1 TYR 30 HE1 TYR 30 -31.628 10.087 4.376 274 HE2 TYR 30 HE2 TYR 30 -28.072 8.486 2.681 275 HH TYR 30 HH TYR 30 -30.238 11.255 3.082 276 H HIS 31 HN HIS 31 -32.494 5.018 8.278 277 HA HIS 31 HA HIS 31 -32.273 2.042 7.960 278 1HB HIS 31 HB1 HIS 31 -32.813 1.942 10.420 279 2HB HIS 31 HB2 HIS 31 -32.800 3.702 10.471 280 HD1 HIS 31 HD1 HIS 31 -30.437 1.009 9.497 281 HD2 HIS 31 HD2 HIS 31 -30.350 4.755 11.046 282 HE1 HIS 31 HE1 HIS 31 -28.095 1.427 9.983 283 H CYS 32 HN CYS 32 -34.146 0.903 7.703 284 HA CYS 32 HA CYS 32 -36.541 2.282 7.016 285 1HB CYS 32 HB1 CYS 32 -35.922 -0.576 7.823 286 2HB CYS 32 HB2 CYS 32 -36.339 0.030 6.242 287 H THR 33 HN THR 33 -38.452 2.652 8.150 288 HA THR 33 HA THR 33 -38.081 3.077 11.011 289 HB THR 33 HB THR 33 -40.656 3.357 9.352 290 HG1 THR 33 HG1 THR 33 -39.508 4.849 8.420 291 1HG2 THR 33 HG21 THR 33 -40.914 5.311 11.048 292 2HG2 THR 33 HG22 THR 33 -39.584 4.591 11.949 293 3HG2 THR 33 HG23 THR 33 -41.096 3.710 11.755 294 OH TYR 34 OH TYR 34 -44.696 2.565 8.864 295 H TYR 34 HN TYR 34 -38.423 0.318 9.557 296 HA TYR 34 HA TYR 34 -40.106 -0.826 11.730 297 1HB TYR 34 HB1 TYR 34 -41.228 -2.327 10.114 298 2HB TYR 34 HB2 TYR 34 -40.277 -1.670 8.793 299 HD1 TYR 34 HD2 TYR 34 -40.549 0.854 8.271 300 HD2 TYR 34 HD1 TYR 34 -43.269 -1.303 10.734 301 HE1 TYR 34 HE2 TYR 34 -42.267 2.557 7.870 302 HE2 TYR 34 HE1 TYR 34 -44.979 0.408 10.335 303 HH TYR 34 HH TYR 34 -44.437 3.072 8.091 304 H CYS 35 HN CYS 35 -38.458 -2.098 8.851 305 HA CYS 35 HA CYS 35 -37.427 -4.410 10.151 306 1HB CYS 35 HB1 CYS 35 -35.950 -4.602 8.209 307 2HB CYS 35 HB2 CYS 35 -36.137 -2.913 7.842 308 H ASN 36 HN ASN 36 -34.794 -4.532 9.581 309 HA ASN 36 HA ASN 36 -33.563 -2.494 11.391 310 1HB ASN 36 HB1 ASN 36 -32.711 -5.413 11.057 311 2HB ASN 36 HB2 ASN 36 -33.805 -4.884 12.333 312 1HD2 ASN 36 HD21 ASN 36 -32.824 -2.749 13.498 313 2HD2 ASN 36 HD22 ASN 36 -31.194 -2.895 13.948 314 H PHE 37 HN PHE 37 -33.828 -3.393 8.328 315 HA PHE 37 HA PHE 37 -31.040 -3.566 7.522 316 1HB PHE 37 HB1 PHE 37 -33.269 -2.715 5.664 317 2HB PHE 37 HB2 PHE 37 -33.278 -4.360 6.299 318 HD1 PHE 37 HD2 PHE 37 -31.161 -5.783 5.971 319 HD2 PHE 37 HD1 PHE 37 -31.810 -2.125 3.890 320 HE1 PHE 37 HE2 PHE 37 -29.469 -6.424 4.308 321 HE2 PHE 37 HE1 PHE 37 -30.119 -2.771 2.231 322 HZ PHE 37 HZ PHE 37 -28.948 -4.920 2.440 323 H SER 38 HN SER 38 -29.944 -1.978 6.235 324 HA SER 38 HA SER 38 -31.012 0.772 6.487 325 1HB SER 38 HB1 SER 38 -28.123 0.148 7.168 326 2HB SER 38 HB2 SER 38 -29.377 0.064 8.410 327 HG SER 38 HG1 SER 38 -29.043 2.250 6.641 328 H PHE 39 HN PHE 39 -30.048 2.289 5.088 329 HA PHE 39 HA PHE 39 -28.535 1.066 2.819 330 1HB PHE 39 HB1 PHE 39 -29.912 2.315 1.289 331 2HB PHE 39 HB2 PHE 39 -30.536 3.344 2.576 332 HD1 PHE 39 HD2 PHE 39 -32.121 2.386 4.270 333 HD2 PHE 39 HD1 PHE 39 -30.892 0.142 0.865 334 HE1 PHE 39 HE2 PHE 39 -33.986 0.828 4.619 335 HE2 PHE 39 HE1 PHE 39 -32.770 -1.403 1.209 336 HZ PHE 39 HZ PHE 39 -34.318 -1.060 3.088 337 H LYS 40 HN LYS 40 -27.278 2.593 1.584 338 HA LYS 40 HA LYS 40 -25.998 4.574 3.357 339 1HB LYS 40 HB1 LYS 40 -25.342 3.442 0.601 340 2HB LYS 40 HB2 LYS 40 -24.587 3.001 2.112 341 1HG LYS 40 HG1 LYS 40 -24.396 5.703 0.734 342 2HG LYS 40 HG2 LYS 40 -23.108 4.521 0.895 343 1HD LYS 40 HD1 LYS 40 -23.521 4.724 3.448 344 2HD LYS 40 HD2 LYS 40 -24.366 6.212 3.047 345 1HE LYS 40 HE1 LYS 40 -22.050 6.767 3.516 346 2HE LYS 40 HE2 LYS 40 -22.321 6.961 1.789 347 1HZ LYS 40 HZ1 LYS 40 -21.283 4.441 2.924 348 2HZ LYS 40 HZ2 LYS 40 -20.254 5.726 2.507 349 3HZ LYS 40 HZ3 LYS 40 -21.213 4.987 1.317 350 H THR 41 HN THR 41 -28.287 4.466 0.849 351 HA THR 41 HA THR 41 -28.022 7.424 0.486 352 HB THR 41 HB THR 41 -28.408 7.175 -1.886 353 HG1 THR 41 HG1 THR 41 -29.278 4.594 -1.059 354 1HG2 THR 41 HG21 THR 41 -26.189 5.997 -1.028 355 2HG2 THR 41 HG22 THR 41 -26.763 5.527 -2.624 356 3HG2 THR 41 HG23 THR 41 -27.075 4.489 -1.236 357 H LYS 42 HN LYS 42 -29.961 8.522 -0.049 358 HA LYS 42 HA LYS 42 -32.226 7.523 1.441 359 1HB LYS 42 HB1 LYS 42 -32.244 9.936 -0.401 360 2HB LYS 42 HB2 LYS 42 -31.385 9.992 1.133 361 1HG LYS 42 HG1 LYS 42 -33.492 9.320 2.299 362 2HG LYS 42 HG2 LYS 42 -34.335 9.382 0.754 363 1HD LYS 42 HD1 LYS 42 -33.709 11.769 0.513 364 2HD LYS 42 HD2 LYS 42 -32.879 11.705 2.063 365 1HE LYS 42 HE1 LYS 42 -35.401 10.656 2.622 366 2HE LYS 42 HE2 LYS 42 -35.737 11.970 1.501 367 1HZ LYS 42 HZ1 LYS 42 -34.024 13.192 3.061 368 2HZ LYS 42 HZ2 LYS 42 -34.604 12.060 4.186 369 3HZ LYS 42 HZ3 LYS 42 -35.682 13.127 3.423 370 H GLY 43 HN GLY 43 -31.176 7.340 -1.789 371 1HA GLY 43 HA1 GLY 43 -32.228 6.552 -3.739 372 2HA GLY 43 HA2 GLY 43 -33.722 7.251 -3.120 373 H ASN 44 HN ASN 44 -31.557 4.569 -2.212 374 HA ASN 44 HA ASN 44 -33.291 2.463 -2.794 375 1HB ASN 44 HB1 ASN 44 -32.034 1.331 -0.781 376 2HB ASN 44 HB2 ASN 44 -31.140 2.845 -0.685 377 1HD2 ASN 44 HD21 ASN 44 -29.164 1.747 -1.387 378 2HD2 ASN 44 HD22 ASN 44 -28.950 1.286 -3.007 379 H LEU 45 HN LEU 45 -33.321 4.644 -0.065 380 HA LEU 45 HA LEU 45 -34.962 3.136 1.689 381 1HB LEU 45 HB1 LEU 45 -35.235 6.139 1.317 382 2HB LEU 45 HB2 LEU 45 -33.748 5.477 1.967 383 HG LEU 45 HG LEU 45 -35.353 6.162 3.758 384 1HD1 LEU 45 HD11 LEU 45 -37.113 3.855 2.881 385 2HD1 LEU 45 HD12 LEU 45 -37.396 5.502 2.337 386 3HD1 LEU 45 HD13 LEU 45 -37.467 5.117 4.052 387 1HD2 LEU 45 HD21 LEU 45 -35.272 3.177 3.994 388 2HD2 LEU 45 HD22 LEU 45 -34.760 4.410 5.135 389 3HD2 LEU 45 HD23 LEU 45 -33.740 4.006 3.762 390 H THR 46 HN THR 46 -35.970 5.735 -0.550 391 HA THR 46 HA THR 46 -38.743 5.341 -0.302 392 HB THR 46 HB THR 46 -37.271 6.044 -2.913 393 HG1 THR 46 HG1 THR 46 -37.381 8.149 -1.981 394 1HG2 THR 46 HG21 THR 46 -39.789 5.890 -3.074 395 2HG2 THR 46 HG22 THR 46 -39.279 7.573 -3.150 396 3HG2 THR 46 HG23 THR 46 -39.937 6.919 -1.654 397 H LYS 47 HN LYS 47 -36.360 3.582 -2.156 398 HA LYS 47 HA LYS 47 -38.196 2.095 -3.785 399 1HB LYS 47 HB1 LYS 47 -35.535 1.010 -2.798 400 2HB LYS 47 HB2 LYS 47 -35.576 2.355 -3.933 401 1HG LYS 47 HG1 LYS 47 -36.995 0.974 -5.460 402 2HG LYS 47 HG2 LYS 47 -36.838 -0.377 -4.343 403 1HD LYS 47 HD1 LYS 47 -34.969 -0.919 -5.516 404 2HD LYS 47 HD2 LYS 47 -34.210 0.440 -4.693 405 1HE LYS 47 HE1 LYS 47 -35.498 0.402 -7.431 406 2HE LYS 47 HE2 LYS 47 -33.846 0.843 -7.015 407 1HZ LYS 47 HZ1 LYS 47 -36.328 2.360 -6.507 408 2HZ LYS 47 HZ2 LYS 47 -34.944 2.849 -7.362 409 3HZ LYS 47 HZ3 LYS 47 -34.888 2.697 -5.671 410 H HIS 48 HN HIS 48 -36.794 1.510 -0.591 411 HA HIS 48 HA HIS 48 -37.973 -1.144 -0.380 412 1HB HIS 48 HB1 HIS 48 -36.766 0.764 1.683 413 2HB HIS 48 HB2 HIS 48 -35.980 -0.628 0.947 414 HD1 HIS 48 HD1 HIS 48 -37.758 -2.840 1.391 415 HD2 HIS 48 HD2 HIS 48 -37.579 0.102 4.224 416 HE1 HIS 48 HE1 HIS 48 -38.594 -3.867 3.449 417 H MET 49 HN MET 49 -38.685 1.991 1.164 418 HA MET 49 HA MET 49 -40.989 1.141 2.571 419 1HB MET 49 HB1 MET 49 -41.656 3.668 2.207 420 2HB MET 49 HB2 MET 49 -40.093 3.801 1.409 421 1HG MET 49 HG1 MET 49 -39.658 4.359 3.655 422 2HG MET 49 HG2 MET 49 -39.087 2.722 3.473 423 1HE MET 49 HE1 MET 49 -42.097 4.455 6.290 424 2HE MET 49 HE2 MET 49 -41.581 5.138 4.749 425 3HE MET 49 HE3 MET 49 -40.409 4.905 6.047 426 H LYS 50 HN LYS 50 -40.518 1.810 -0.795 427 HA LYS 50 HA LYS 50 -43.208 2.337 -1.552 428 1HB LYS 50 HB1 LYS 50 -40.912 0.944 -3.020 429 2HB LYS 50 HB2 LYS 50 -41.358 2.639 -3.144 430 1HG LYS 50 HG1 LYS 50 -42.955 0.248 -4.129 431 2HG LYS 50 HG2 LYS 50 -42.227 1.516 -5.103 432 1HD LYS 50 HD1 LYS 50 -43.718 3.134 -3.696 433 2HD LYS 50 HD2 LYS 50 -44.634 1.685 -3.299 434 1HE LYS 50 HE1 LYS 50 -45.602 2.755 -5.283 435 2HE LYS 50 HE2 LYS 50 -44.892 1.209 -5.730 436 1HZ LYS 50 HZ1 LYS 50 -44.405 3.327 -7.117 437 2HZ LYS 50 HZ2 LYS 50 -43.166 2.204 -6.815 438 3HZ LYS 50 HZ3 LYS 50 -43.255 3.636 -5.907 439 H SER 51 HN SER 51 -41.424 -0.745 -1.484 440 HA SER 51 HA SER 51 -43.382 -2.495 -2.357 441 1HB SER 51 HB1 SER 51 -41.728 -3.062 0.151 442 2HB SER 51 HB2 SER 51 -41.004 -3.046 -1.469 443 HG SER 51 HG1 SER 51 -42.786 -4.823 -0.332 444 H LYS 52 HN LYS 52 -45.078 -3.637 -1.406 445 HA LYS 52 HA LYS 52 -46.579 -2.123 0.570 446 1HB LYS 52 HB1 LYS 52 -48.315 -3.769 0.178 447 2HB LYS 52 HB2 LYS 52 -47.153 -4.958 -0.400 448 1HG LYS 52 HG1 LYS 52 -46.715 -3.670 -2.397 449 2HG LYS 52 HG2 LYS 52 -47.633 -2.301 -1.781 450 1HD LYS 52 HD1 LYS 52 -49.703 -3.583 -1.869 451 2HD LYS 52 HD2 LYS 52 -48.824 -5.041 -2.319 452 1HE LYS 52 HE1 LYS 52 -48.971 -2.487 -3.956 453 2HE LYS 52 HE2 LYS 52 -49.824 -3.984 -4.312 454 1HZ LYS 52 HZ1 LYS 52 -47.659 -5.092 -4.492 455 2HZ LYS 52 HZ2 LYS 52 -46.885 -3.598 -4.261 456 3HZ LYS 52 HZ3 LYS 52 -47.853 -3.850 -5.633 457 H ALA 53 HN ALA 53 -43.954 -3.452 1.289 458 HA ALA 53 HA ALA 53 -44.425 -5.633 3.049 459 1HB ALA 53 HB1 ALA 53 -42.149 -4.872 2.343 460 2HB ALA 53 HB2 ALA 53 -42.262 -4.932 4.100 461 3HB ALA 53 HB3 ALA 53 -42.359 -3.386 3.264 462 H HIS 54 HN HIS 54 -43.833 -2.254 4.033 463 HA HIS 54 HA HIS 54 -46.096 -2.280 5.836 464 1HB HIS 54 HB1 HIS 54 -44.794 -3.503 7.353 465 2HB HIS 54 HB2 HIS 54 -44.363 -1.865 7.823 466 HD1 HIS 54 HD1 HIS 54 -42.928 -4.874 6.399 467 HD2 HIS 54 HD2 HIS 54 -41.757 -0.978 6.802 468 HE1 HIS 54 HE1 HIS 54 -40.503 -4.877 6.061 469 H SER 55 HN SER 55 -46.671 -0.333 5.003 470 HA SER 55 HA SER 55 -44.799 1.946 5.531 471 1HB SER 55 HB1 SER 55 -46.044 3.079 3.598 472 2HB SER 55 HB2 SER 55 -46.844 1.525 3.291 473 HG SER 55 HG1 SER 55 -44.637 0.635 3.352 474 H LYS 56 HN LYS 56 -48.220 1.818 4.638 475 HA LYS 56 HA LYS 56 -48.900 3.006 7.288 476 1HB LYS 56 HB1 LYS 56 -50.505 4.544 5.885 477 2HB LYS 56 HB2 LYS 56 -49.484 4.121 4.515 478 1HG LYS 56 HG1 LYS 56 -48.366 6.011 5.266 479 2HG LYS 56 HG2 LYS 56 -47.538 4.784 6.217 480 1HD LYS 56 HD1 LYS 56 -49.414 5.189 7.977 481 2HD LYS 56 HD2 LYS 56 -49.725 6.675 7.086 482 1HE LYS 56 HE1 LYS 56 -47.384 7.372 7.392 483 2HE LYS 56 HE2 LYS 56 -47.031 5.868 8.232 484 1HZ LYS 56 HZ1 LYS 56 -47.447 7.199 9.992 485 2HZ LYS 56 HZ2 LYS 56 -49.037 6.681 9.698 486 3HZ LYS 56 HZ3 LYS 56 -48.524 8.203 9.145 487 H LYS 57 HN LYS 57 -49.308 0.355 6.420 488 HA LYS 57 HA LYS 57 -51.810 -0.199 5.281 489 1HB LYS 57 HB1 LYS 57 -51.679 -2.329 6.675 490 2HB LYS 57 HB2 LYS 57 -50.285 -1.640 7.498 491 1HG LYS 57 HG1 LYS 57 -49.212 -1.348 5.212 492 2HG LYS 57 HG2 LYS 57 -50.537 -2.297 4.548 493 1HD LYS 57 HD1 LYS 57 -48.632 -3.219 6.728 494 2HD LYS 57 HD2 LYS 57 -48.579 -3.731 5.045 495 1HE LYS 57 HE1 LYS 57 -51.101 -4.381 5.463 496 2HE LYS 57 HE2 LYS 57 -50.622 -4.376 7.155 497 1HZ LYS 57 HZ1 LYS 57 -48.644 -5.788 6.122 498 2HZ LYS 57 HZ2 LYS 57 -49.868 -6.190 5.016 499 3HZ LYS 57 LYS 57 -50.089 -6.489 6.674 No H/Q in entry = 499
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