NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
578298 | 2mlu | 19832 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 2.957 0.631 -1.100 3 HB2 MET 1 2HB MET 1 2.508 -2.022 -0.684 4 HB3 MET 1 3HB MET 1 1.905 -1.835 -2.325 5 HG2 MET 1 2HG MET 1 4.157 -0.618 -2.738 6 HG3 MET 1 3HG MET 1 4.668 -1.450 -1.271 7 HE1 MET 1 3HE MET 1 5.412 -4.655 -1.803 8 HE2 MET 1 1HE MET 1 4.308 -3.708 -0.805 9 HE3 MET 1 2HE MET 1 3.673 -4.941 -1.895 10 H LYS 2 H LYS 2 -0.333 -0.486 -1.784 11 HA LYS 2 HA LYS 2 -0.657 1.628 -3.732 12 HB2 LYS 2 2HB LYS 2 -0.599 -1.277 -4.488 13 HB3 LYS 2 3HB LYS 2 -1.598 -0.145 -5.390 14 HG2 LYS 2 2HG LYS 2 0.791 1.163 -5.321 15 HG3 LYS 2 3HG LYS 2 1.300 -0.525 -5.404 16 HD2 LYS 2 2HD LYS 2 -0.232 -0.819 -7.349 17 HD3 LYS 2 3HD LYS 2 -0.545 0.917 -7.306 18 HE2 LYS 2 2HE LYS 2 2.031 1.136 -7.434 19 HE3 LYS 2 3HE LYS 2 1.983 -0.535 -7.994 20 HZ1 LYS 2 3HZ LYS 2 1.382 0.148 -9.998 21 HZ2 LYS 2 1HZ LYS 2 1.587 1.751 -9.498 22 HZ3 LYS 2 2HZ LYS 2 0.068 1.016 -9.381 23 H THR 3 H THR 3 -2.411 2.515 -2.823 24 HA THR 3 HA THR 3 -4.376 1.265 -1.330 25 HB THR 3 HB THR 3 -5.651 3.377 -2.729 26 HG1 THR 3 HG1 THR 3 -4.111 4.986 -2.679 27 HG21 THR 3 1HG2 THR 3 -6.063 2.995 -0.422 28 HG22 THR 3 2HG2 THR 3 -5.264 4.563 -0.527 29 HG23 THR 3 3HG2 THR 3 -4.352 3.141 -0.021 30 H ILE 4 H ILE 4 -4.002 1.438 -4.783 31 HA ILE 4 HA ILE 4 -6.628 0.849 -5.579 32 HB ILE 4 HB ILE 4 -5.669 0.076 -7.687 33 HG12 ILE 4 2HG1 ILE 4 -2.921 0.568 -7.381 34 HG13 ILE 4 3HG1 ILE 4 -3.372 -0.433 -6.005 35 HG21 ILE 4 1HG2 ILE 4 -5.718 2.564 -6.866 36 HG22 ILE 4 2HG2 ILE 4 -3.964 2.404 -6.941 37 HG23 ILE 4 3HG2 ILE 4 -4.936 2.136 -8.388 38 HD11 ILE 4 3HD1 ILE 4 -3.584 -1.058 -8.925 39 HD12 ILE 4 1HD1 ILE 4 -2.726 -1.939 -7.660 40 HD13 ILE 4 2HD1 ILE 4 -4.489 -1.961 -7.710 41 H LEU 5 H LEU 5 -4.134 -1.140 -4.228 42 HA LEU 5 HA LEU 5 -4.906 -3.666 -5.110 43 HB2 LEU 5 2HB LEU 5 -3.786 -2.893 -2.420 44 HB3 LEU 5 3HB LEU 5 -3.818 -4.524 -3.087 45 HG LEU 5 HG LEU 5 -2.333 -2.254 -4.394 46 HD11 LEU 5 1HD1 LEU 5 -1.713 -3.202 -1.918 47 HD12 LEU 5 2HD1 LEU 5 -0.554 -2.525 -3.062 48 HD13 LEU 5 3HD1 LEU 5 -0.773 -4.272 -2.958 49 HD21 LEU 5 3HD2 LEU 5 -1.813 -5.200 -4.623 50 HD22 LEU 5 1HD2 LEU 5 -1.306 -3.897 -5.698 51 HD23 LEU 5 2HD2 LEU 5 -3.000 -4.388 -5.646 52 H ARG 6 H ARG 6 -6.032 -1.801 -2.310 53 HA ARG 6 HA ARG 6 -7.700 -3.700 -1.162 54 HB2 ARG 6 2HB ARG 6 -7.989 -0.695 -1.286 55 HB3 ARG 6 3HB ARG 6 -8.977 -1.733 -0.266 56 HG2 ARG 6 2HG ARG 6 -6.841 -2.543 0.789 57 HG3 ARG 6 3HG ARG 6 -6.017 -1.251 -0.087 58 HD2 ARG 6 2HD ARG 6 -7.514 0.388 0.996 59 HD3 ARG 6 3HD ARG 6 -8.245 -0.924 1.920 60 HE ARG 6 HE ARG 6 -6.437 -0.892 3.318 61 HH11 ARG 6 1HH1 ARG 6 -5.628 0.797 0.383 62 HH12 ARG 6 2HH1 ARG 6 -4.103 1.365 0.976 63 HH21 ARG 6 1HH2 ARG 6 -4.431 -0.150 4.110 64 HH22 ARG 6 2HH2 ARG 6 -3.422 0.825 3.096 65 H PHE 7 H PHE 7 -8.180 -1.688 -3.974 66 HA PHE 7 HA PHE 7 -10.996 -2.136 -4.184 67 HB2 PHE 7 2HB PHE 7 -8.976 -1.173 -6.218 68 HB3 PHE 7 3HB PHE 7 -10.717 -1.190 -6.475 69 HD1 PHE 7 HD2 PHE 7 -8.054 0.231 -4.327 70 HD2 PHE 7 HD1 PHE 7 -12.054 0.576 -5.740 71 HE1 PHE 7 HE2 PHE 7 -8.223 2.457 -3.293 72 HE2 PHE 7 HE1 PHE 7 -12.230 2.804 -4.709 73 HZ PHE 7 HZ PHE 7 -10.313 3.746 -3.483 74 H VAL 8 H VAL 8 -8.276 -3.268 -6.200 75 HA VAL 8 HA VAL 8 -9.719 -5.136 -7.683 76 HB VAL 8 HB VAL 8 -7.403 -4.339 -8.200 77 HG11 VAL 8 1HG1 VAL 8 -6.626 -6.347 -6.087 78 HG12 VAL 8 2HG1 VAL 8 -5.513 -5.520 -7.180 79 HG13 VAL 8 3HG1 VAL 8 -6.426 -4.598 -5.985 80 HG21 VAL 8 3HG2 VAL 8 -7.893 -7.314 -8.158 81 HG22 VAL 8 1HG2 VAL 8 -8.326 -6.181 -9.439 82 HG23 VAL 8 2HG2 VAL 8 -6.630 -6.523 -9.099 83 H ALA 9 H ALA 9 -8.345 -5.343 -4.484 84 HA ALA 9 HA ALA 9 -8.238 -8.102 -4.130 85 HB1 ALA 9 3HB ALA 9 -7.321 -6.488 -2.531 86 HB2 ALA 9 1HB ALA 9 -8.957 -6.018 -2.071 87 HB3 ALA 9 2HB ALA 9 -8.384 -7.653 -1.743 88 H GLY 10 H GLY 10 -10.966 -5.984 -4.344 89 HA2 GLY 10 2HA GLY 10 -12.797 -7.889 -3.134 90 HA3 GLY 10 3HA GLY 10 -13.217 -6.325 -3.817 91 H TYR 11 H TYR 11 -11.900 -6.796 -6.353 92 HA TYR 11 HA TYR 11 -14.006 -7.829 -7.830 93 HB2 TYR 11 2HB TYR 11 -12.353 -6.427 -8.878 94 HB3 TYR 11 3HB TYR 11 -11.077 -7.592 -8.539 95 HD1 TYR 11 HD2 TYR 11 -14.483 -8.197 -9.915 96 HD2 TYR 11 HD1 TYR 11 -10.293 -8.203 -10.651 97 HE1 TYR 11 HE2 TYR 11 -14.875 -9.254 -12.101 98 HE2 TYR 11 HE1 TYR 11 -10.673 -9.259 -12.840 99 HH TYR 11 HH TYR 11 -12.551 -10.752 -13.862 100 H ASP 12 H ASP 12 -10.958 -9.427 -6.926 101 HA ASP 12 HA ASP 12 -11.380 -11.875 -8.153 102 HB2 ASP 12 2HB ASP 12 -9.325 -10.960 -6.834 103 HB3 ASP 12 3HB ASP 12 -10.094 -11.722 -5.445 104 H ILE 13 H ILE 13 -12.793 -10.567 -5.258 105 HA ILE 13 HA ILE 13 -13.874 -13.120 -4.408 106 HB ILE 13 HB ILE 13 -14.515 -10.381 -3.316 107 HG12 ILE 13 2HG1 ILE 13 -12.112 -10.757 -3.176 108 HG13 ILE 13 3HG1 ILE 13 -12.831 -10.886 -1.574 109 HG21 ILE 13 1HG2 ILE 13 -16.138 -11.993 -2.640 110 HG22 ILE 13 2HG2 ILE 13 -14.887 -13.168 -2.239 111 HG23 ILE 13 3HG2 ILE 13 -15.068 -11.707 -1.268 112 HD11 ILE 13 3HD1 ILE 13 -11.780 -12.819 -1.363 113 HD12 ILE 13 1HD1 ILE 13 -12.869 -13.475 -2.585 114 HD13 ILE 13 2HD1 ILE 13 -11.304 -12.814 -3.061 115 H ALA 14 H ALA 14 -14.923 -10.251 -6.109 116 HA ALA 14 HA ALA 14 -17.716 -10.846 -6.003 117 HB1 ALA 14 3HB ALA 14 -16.008 -8.805 -7.233 118 HB2 ALA 14 1HB ALA 14 -17.465 -9.195 -8.147 119 HB3 ALA 14 2HB ALA 14 -17.592 -8.656 -6.473 120 H SER 15 H SER 15 -15.077 -11.806 -8.029 121 HA SER 15 HA SER 15 -16.558 -12.569 -10.318 122 HB2 SER 15 2HB SER 15 -13.811 -12.964 -9.307 123 HB3 SER 15 3HB SER 15 -14.395 -14.217 -10.402 124 HG SER 15 HG SER 15 -13.350 -12.108 -11.220 125 H HIS 16 H HIS 16 -15.904 -14.107 -7.266 126 HA HIS 16 HA HIS 16 -16.956 -16.665 -8.199 127 HB2 HIS 16 2HB HIS 16 -15.775 -15.810 -5.551 128 HB3 HIS 16 3HB HIS 16 -16.400 -17.425 -5.871 129 HD1 HIS 16 HD1 HIS 16 -13.486 -17.136 -5.096 130 HD2 HIS 16 HD2 HIS 16 -14.813 -17.065 -9.032 131 HE1 HIS 16 HE1 HIS 16 -11.495 -17.785 -6.488 132 H LYS 17 H LYS 17 -17.724 -14.084 -5.908 133 HA LYS 17 HA LYS 17 -19.996 -15.238 -4.751 134 HB2 LYS 17 2HB LYS 17 -19.164 -12.375 -5.176 135 HB3 LYS 17 3HB LYS 17 -20.665 -12.790 -4.360 136 HG2 LYS 17 2HG LYS 17 -18.003 -13.851 -3.465 137 HG3 LYS 17 3HG LYS 17 -18.660 -12.315 -2.893 138 HD2 LYS 17 2HD LYS 17 -20.740 -13.628 -2.240 139 HD3 LYS 17 3HD LYS 17 -19.777 -15.083 -2.511 140 HE2 LYS 17 2HE LYS 17 -18.658 -12.940 -0.775 141 HE3 LYS 17 3HE LYS 17 -19.945 -13.955 -0.128 142 HZ1 LYS 17 3HZ LYS 17 -18.121 -15.164 0.457 143 HZ2 LYS 17 1HZ LYS 17 -17.209 -14.680 -0.882 144 HZ3 LYS 17 2HZ LYS 17 -18.420 -15.847 -1.062 145 H LYS 18 H LYS 18 -20.134 -12.514 -7.037 146 HA LYS 18 HA LYS 18 -21.870 -13.812 -8.866 147 HB2 LYS 18 2HB LYS 18 -23.926 -12.557 -8.398 148 HB3 LYS 18 3HB LYS 18 -23.481 -13.586 -7.043 149 HG2 LYS 18 2HG LYS 18 -22.409 -11.541 -6.012 150 HG3 LYS 18 3HG LYS 18 -23.218 -10.604 -7.270 151 HD2 LYS 18 2HD LYS 18 -25.348 -11.866 -6.457 152 HD3 LYS 18 3HD LYS 18 -24.399 -12.144 -4.994 153 HE2 LYS 18 2HE LYS 18 -23.961 -9.526 -5.289 154 HE3 LYS 18 3HE LYS 18 -25.530 -9.632 -6.087 155 HZ1 LYS 18 3HZ LYS 18 -25.736 -11.099 -3.749 156 HZ2 LYS 18 1HZ LYS 18 -26.449 -9.602 -4.088 157 HZ3 LYS 18 2HZ LYS 18 -24.941 -9.668 -3.324 158 H LYS 19 H LYS 19 -22.435 -12.481 -10.651 159 HA LYS 19 HA LYS 19 -21.230 -9.802 -10.671 160 HB2 LYS 19 2HB LYS 19 -19.610 -11.319 -11.693 161 HB3 LYS 19 3HB LYS 19 -20.843 -11.925 -12.790 162 HG2 LYS 19 2HG LYS 19 -20.446 -9.017 -12.856 163 HG3 LYS 19 3HG LYS 19 -19.069 -9.979 -13.398 164 HD2 LYS 19 2HD LYS 19 -21.886 -10.328 -14.418 165 HD3 LYS 19 3HD LYS 19 -20.659 -9.341 -15.216 166 HE2 LYS 19 2HE LYS 19 -19.681 -11.997 -14.587 167 HE3 LYS 19 3HE LYS 19 -21.123 -12.050 -15.599 168 HZ1 LYS 19 3HZ LYS 19 -19.167 -11.957 -16.969 169 HZ2 LYS 19 1HZ LYS 19 -18.619 -10.563 -16.181 170 HZ3 LYS 19 2HZ LYS 19 -20.018 -10.503 -17.131 171 H THR 20 H THR 20 -22.780 -8.404 -11.146 172 HA THR 20 HA THR 20 -24.426 -8.740 -13.475 173 HB THR 20 HB THR 20 -26.524 -8.240 -11.903 174 HG1 THR 20 HG1 THR 20 -24.616 -9.505 -10.278 175 HG21 THR 20 1HG2 THR 20 -25.565 -10.431 -13.374 176 HG22 THR 20 2HG2 THR 20 -27.222 -10.136 -12.847 177 HG23 THR 20 3HG2 THR 20 -26.132 -11.089 -11.841 178 H GLY 21 H GLY 21 -23.520 -6.786 -14.125 179 HA2 GLY 21 2HA GLY 21 -24.902 -4.451 -13.485 180 HA3 GLY 21 3HA GLY 21 -23.431 -4.456 -12.523 181 H GLY 22 H GLY 22 -21.552 -5.463 -14.173 182 HA2 GLY 22 2HA GLY 22 -21.220 -5.000 -16.743 183 HA3 GLY 22 3HA GLY 22 -21.356 -3.341 -16.178 184 H TYR 23 H TYR 23 -19.740 -2.513 -14.756 185 HA TYR 23 HA TYR 23 -17.231 -4.058 -14.796 186 HB2 TYR 23 2HB TYR 23 -17.481 -1.057 -15.071 187 HB3 TYR 23 3HB TYR 23 -15.996 -1.998 -15.149 188 HD1 TYR 23 HD2 TYR 23 -19.188 -1.312 -16.894 189 HD2 TYR 23 HD1 TYR 23 -15.294 -3.002 -17.174 190 HE1 TYR 23 HE2 TYR 23 -19.467 -1.536 -19.327 191 HE2 TYR 23 HE1 TYR 23 -15.561 -3.230 -19.608 192 HH TYR 23 HH TYR 23 -17.350 -1.733 -21.410 193 HA PRO 24 HA PRO 24 -16.895 -3.439 -10.465 194 HB2 PRO 24 2HB PRO 24 -14.208 -3.201 -10.156 195 HB3 PRO 24 3HB PRO 24 -14.999 -4.734 -10.541 196 HG2 PRO 24 2HG PRO 24 -13.601 -2.814 -12.363 197 HG3 PRO 24 3HG PRO 24 -13.515 -4.584 -12.325 198 HD2 PRO 24 2HD PRO 24 -15.039 -3.239 -14.114 199 HD3 PRO 24 3HD PRO 24 -15.496 -4.832 -13.477 200 H TRP 25 H TRP 25 -15.381 -1.094 -12.587 201 HA TRP 25 HA TRP 25 -15.578 0.920 -10.444 202 HB2 TRP 25 2HB TRP 25 -13.656 1.937 -11.175 203 HB3 TRP 25 3HB TRP 25 -13.298 0.279 -11.651 204 HD1 TRP 25 HD1 TRP 25 -13.662 3.724 -13.045 205 HE1 TRP 25 HE1 TRP 25 -13.396 3.669 -15.605 206 HE3 TRP 25 HE3 TRP 25 -13.899 -1.330 -13.778 207 HZ2 TRP 25 HZ2 TRP 25 -13.301 1.739 -17.662 208 HZ3 TRP 25 HZ3 TRP 25 -13.713 -2.199 -16.072 209 HH2 TRP 25 HH2 TRP 25 -13.421 -0.695 -17.973 210 H GLU 26 H GLU 26 -16.370 0.101 -13.742 211 HA GLU 26 HA GLU 26 -17.699 2.689 -14.113 212 HB2 GLU 26 2HB GLU 26 -16.364 0.827 -15.875 213 HB3 GLU 26 3HB GLU 26 -17.994 1.158 -16.444 214 HG2 GLU 26 2HG GLU 26 -16.902 3.636 -15.717 215 HG3 GLU 26 3HG GLU 26 -15.648 2.783 -16.614 216 H ARG 27 H ARG 27 -19.478 2.295 -12.743 217 HA ARG 27 HA ARG 27 -21.192 0.027 -13.182 218 HB2 ARG 27 2HB ARG 27 -22.673 1.139 -11.533 219 HB3 ARG 27 3HB ARG 27 -21.025 0.945 -10.952 220 HG2 ARG 27 2HG ARG 27 -21.165 3.091 -10.375 221 HG3 ARG 27 3HG ARG 27 -20.947 3.428 -12.093 222 HD2 ARG 27 2HD ARG 27 -23.628 2.940 -11.949 223 HD3 ARG 27 3HD ARG 27 -23.318 3.717 -10.397 224 HE ARG 27 HE ARG 27 -22.059 5.276 -12.288 225 HH11 ARG 27 1HH1 ARG 27 -25.308 4.208 -11.638 226 HH12 ARG 27 2HH1 ARG 27 -26.048 5.616 -12.323 227 HH21 ARG 27 1HH2 ARG 27 -23.021 7.135 -13.193 228 HH22 ARG 27 2HH2 ARG 27 -24.746 7.281 -13.209 229 H GLY 28 H GLY 28 -20.983 3.301 -14.324 230 HA2 GLY 28 2HA GLY 28 -23.067 2.779 -16.260 231 HA3 GLY 28 3HA GLY 28 -23.472 4.021 -15.084 232 H LYS 29 H LYS 29 -23.455 5.814 -16.331 233 HA LYS 29 HA LYS 29 -21.398 6.301 -18.278 234 HB2 LYS 29 2HB LYS 29 -22.522 8.459 -18.605 235 HB3 LYS 29 3HB LYS 29 -23.667 7.125 -18.646 236 HG2 LYS 29 2HG LYS 29 -23.824 7.761 -16.048 237 HG3 LYS 29 3HG LYS 29 -23.400 9.339 -16.718 238 HD2 LYS 29 2HD LYS 29 -25.284 8.784 -18.444 239 HD3 LYS 29 3HD LYS 29 -25.826 7.660 -17.195 240 HE2 LYS 29 2HE LYS 29 -26.615 9.312 -15.910 241 HE3 LYS 29 3HE LYS 29 -25.171 10.296 -16.145 242 HZ1 LYS 29 3HZ LYS 29 -26.079 11.376 -17.906 243 HZ2 LYS 29 1HZ LYS 29 -27.507 11.026 -17.069 244 HZ3 LYS 29 2HZ LYS 29 -27.040 10.068 -18.382 245 H ALA 30 H ALA 30 -22.096 7.329 -14.994 246 HA ALA 30 HA ALA 30 -19.496 8.717 -14.948 247 HB1 ALA 30 3HB ALA 30 -20.617 10.067 -13.038 248 HB2 ALA 30 1HB ALA 30 -20.974 10.480 -14.715 249 HB3 ALA 30 2HB ALA 30 -22.125 9.528 -13.777 Start of MODEL 2 1 H1 MET 1 H MET 1 1.066 1.381 0.635 2 HA MET 1 HA MET 1 2.801 0.990 -0.975 3 HB2 MET 1 2HB MET 1 1.367 -1.588 -1.612 4 HB3 MET 1 3HB MET 1 2.947 -1.069 -2.186 5 HG2 MET 1 2HG MET 1 3.648 -1.095 0.269 6 HG3 MET 1 3HG MET 1 2.164 -2.005 0.548 7 HE1 MET 1 3HE MET 1 1.770 -4.177 0.262 8 HE2 MET 1 1HE MET 1 1.871 -4.478 -1.473 9 HE3 MET 1 2HE MET 1 2.833 -5.442 -0.353 10 H LYS 2 H LYS 2 -0.266 -0.531 -1.980 11 HA LYS 2 HA LYS 2 -0.731 1.743 -3.778 12 HB2 LYS 2 2HB LYS 2 -0.625 -1.169 -4.496 13 HB3 LYS 2 3HB LYS 2 -1.638 -0.064 -5.416 14 HG2 LYS 2 2HG LYS 2 0.662 1.314 -5.436 15 HG3 LYS 2 3HG LYS 2 1.296 -0.330 -5.336 16 HD2 LYS 2 2HD LYS 2 -0.458 -0.765 -7.252 17 HD3 LYS 2 3HD LYS 2 -0.289 0.974 -7.498 18 HE2 LYS 2 2HE LYS 2 2.235 0.534 -7.506 19 HE3 LYS 2 3HE LYS 2 1.808 -1.166 -7.701 20 HZ1 LYS 2 3HZ LYS 2 1.492 1.058 -9.578 21 HZ2 LYS 2 1HZ LYS 2 0.343 -0.183 -9.622 22 HZ3 LYS 2 2HZ LYS 2 1.979 -0.536 -9.866 23 H THR 3 H THR 3 -2.502 2.617 -2.889 24 HA THR 3 HA THR 3 -4.455 1.358 -1.388 25 HB THR 3 HB THR 3 -5.710 3.452 -2.875 26 HG1 THR 3 HG1 THR 3 -3.793 4.314 -3.492 27 HG21 THR 3 1HG2 THR 3 -6.416 3.405 -0.717 28 HG22 THR 3 2HG2 THR 3 -5.117 4.580 -0.510 29 HG23 THR 3 3HG2 THR 3 -4.847 2.886 -0.102 30 H ILE 4 H ILE 4 -4.068 1.490 -4.841 31 HA ILE 4 HA ILE 4 -6.681 0.851 -5.639 32 HB ILE 4 HB ILE 4 -5.702 0.064 -7.733 33 HG12 ILE 4 2HG1 ILE 4 -2.962 0.601 -7.422 34 HG13 ILE 4 3HG1 ILE 4 -3.406 -0.388 -6.036 35 HG21 ILE 4 1HG2 ILE 4 -5.273 2.156 -8.410 36 HG22 ILE 4 2HG2 ILE 4 -5.608 2.602 -6.739 37 HG23 ILE 4 3HG2 ILE 4 -3.945 2.356 -7.268 38 HD11 ILE 4 3HD1 ILE 4 -4.481 -1.967 -7.705 39 HD12 ILE 4 1HD1 ILE 4 -3.621 -1.057 -8.948 40 HD13 ILE 4 2HD1 ILE 4 -2.719 -1.895 -7.685 41 H LEU 5 H LEU 5 -4.165 -1.082 -4.250 42 HA LEU 5 HA LEU 5 -4.895 -3.631 -5.102 43 HB2 LEU 5 2HB LEU 5 -3.796 -2.805 -2.418 44 HB3 LEU 5 3HB LEU 5 -3.801 -4.445 -3.064 45 HG LEU 5 HG LEU 5 -2.346 -2.170 -4.395 46 HD11 LEU 5 1HD1 LEU 5 -0.566 -2.400 -3.055 47 HD12 LEU 5 2HD1 LEU 5 -0.763 -4.148 -2.927 48 HD13 LEU 5 3HD1 LEU 5 -1.721 -3.075 -1.905 49 HD21 LEU 5 3HD2 LEU 5 -2.975 -4.330 -5.622 50 HD22 LEU 5 1HD2 LEU 5 -1.781 -5.111 -4.584 51 HD23 LEU 5 2HD2 LEU 5 -1.288 -3.815 -5.675 52 H ARG 6 H ARG 6 -6.058 -1.745 -2.332 53 HA ARG 6 HA ARG 6 -7.702 -3.654 -1.164 54 HB2 ARG 6 2HB ARG 6 -8.131 -0.666 -1.338 55 HB3 ARG 6 3HB ARG 6 -8.967 -1.744 -0.228 56 HG2 ARG 6 2HG ARG 6 -6.563 -2.379 0.537 57 HG3 ARG 6 3HG ARG 6 -6.124 -0.844 -0.213 58 HD2 ARG 6 2HD ARG 6 -7.739 0.319 1.192 59 HD3 ARG 6 3HD ARG 6 -8.228 -1.213 1.917 60 HE ARG 6 HE ARG 6 -5.952 0.359 2.606 61 HH11 ARG 6 1HH1 ARG 6 -7.141 -2.907 2.404 62 HH12 ARG 6 2HH1 ARG 6 -6.074 -3.510 3.630 63 HH21 ARG 6 1HH2 ARG 6 -4.543 -0.422 4.222 64 HH22 ARG 6 2HH2 ARG 6 -4.597 -2.095 4.664 65 H PHE 7 H PHE 7 -8.201 -1.689 -4.005 66 HA PHE 7 HA PHE 7 -11.009 -2.182 -4.218 67 HB2 PHE 7 2HB PHE 7 -8.995 -1.217 -6.259 68 HB3 PHE 7 3HB PHE 7 -10.735 -1.264 -6.522 69 HD1 PHE 7 HD2 PHE 7 -8.103 0.228 -4.385 70 HD2 PHE 7 HD1 PHE 7 -12.102 0.491 -5.817 71 HE1 PHE 7 HE2 PHE 7 -8.311 2.466 -3.384 72 HE2 PHE 7 HE1 PHE 7 -12.316 2.730 -4.820 73 HZ PHE 7 HZ PHE 7 -10.420 3.720 -3.600 74 H VAL 8 H VAL 8 -8.266 -3.302 -6.207 75 HA VAL 8 HA VAL 8 -9.676 -5.212 -7.669 76 HB VAL 8 HB VAL 8 -7.369 -4.389 -8.190 77 HG11 VAL 8 1HG1 VAL 8 -5.468 -5.532 -7.144 78 HG12 VAL 8 2HG1 VAL 8 -6.396 -4.599 -5.969 79 HG13 VAL 8 3HG1 VAL 8 -6.573 -6.352 -6.043 80 HG21 VAL 8 3HG2 VAL 8 -8.467 -6.454 -9.180 81 HG22 VAL 8 1HG2 VAL 8 -6.711 -6.364 -9.299 82 HG23 VAL 8 2HG2 VAL 8 -7.460 -7.394 -8.079 83 H ALA 9 H ALA 9 -8.311 -5.354 -4.463 84 HA ALA 9 HA ALA 9 -8.169 -8.106 -4.070 85 HB1 ALA 9 3HB ALA 9 -7.238 -7.016 -2.310 86 HB2 ALA 9 1HB ALA 9 -8.461 -5.745 -2.305 87 HB3 ALA 9 2HB ALA 9 -8.827 -7.325 -1.611 88 H GLY 10 H GLY 10 -10.923 -6.028 -4.322 89 HA2 GLY 10 2HA GLY 10 -12.728 -7.958 -3.105 90 HA3 GLY 10 3HA GLY 10 -13.169 -6.394 -3.773 91 H TYR 11 H TYR 11 -11.889 -6.794 -6.320 92 HA TYR 11 HA TYR 11 -13.976 -7.854 -7.795 93 HB2 TYR 11 2HB TYR 11 -12.322 -6.407 -8.811 94 HB3 TYR 11 3HB TYR 11 -11.056 -7.599 -8.538 95 HD1 TYR 11 HD2 TYR 11 -14.502 -8.045 -9.890 96 HD2 TYR 11 HD1 TYR 11 -10.320 -8.221 -10.655 97 HE1 TYR 11 HE2 TYR 11 -14.952 -9.026 -12.099 98 HE2 TYR 11 HE1 TYR 11 -10.759 -9.202 -12.867 99 HH TYR 11 HH TYR 11 -12.715 -10.583 -13.912 100 H ASP 12 H ASP 12 -10.956 -9.422 -6.791 101 HA ASP 12 HA ASP 12 -11.331 -11.867 -8.085 102 HB2 ASP 12 2HB ASP 12 -9.254 -10.999 -6.858 103 HB3 ASP 12 3HB ASP 12 -10.013 -11.601 -5.388 104 H ILE 13 H ILE 13 -12.742 -10.591 -5.175 105 HA ILE 13 HA ILE 13 -13.787 -13.159 -4.328 106 HB ILE 13 HB ILE 13 -14.450 -10.425 -3.237 107 HG12 ILE 13 2HG1 ILE 13 -12.044 -10.818 -3.089 108 HG13 ILE 13 3HG1 ILE 13 -12.776 -10.919 -1.492 109 HG21 ILE 13 1HG2 ILE 13 -15.951 -11.542 -2.037 110 HG22 ILE 13 2HG2 ILE 13 -15.375 -13.090 -2.655 111 HG23 ILE 13 3HG2 ILE 13 -14.610 -12.365 -1.242 112 HD11 ILE 13 3HD1 ILE 13 -11.259 -12.881 -2.947 113 HD12 ILE 13 1HD1 ILE 13 -11.735 -12.855 -1.249 114 HD13 ILE 13 2HD1 ILE 13 -12.829 -13.521 -2.462 115 H ALA 14 H ALA 14 -14.904 -10.279 -5.983 116 HA ALA 14 HA ALA 14 -17.680 -10.951 -5.893 117 HB1 ALA 14 3HB ALA 14 -16.735 -9.204 -8.069 118 HB2 ALA 14 1HB ALA 14 -18.027 -8.961 -6.893 119 HB3 ALA 14 2HB ALA 14 -16.349 -8.673 -6.433 120 H SER 15 H SER 15 -15.018 -11.772 -7.960 121 HA SER 15 HA SER 15 -16.360 -12.468 -10.304 122 HB2 SER 15 2HB SER 15 -13.869 -12.342 -10.009 123 HB3 SER 15 3HB SER 15 -13.944 -13.887 -9.163 124 HG SER 15 HG SER 15 -13.657 -13.606 -11.689 125 H HIS 16 H HIS 16 -16.099 -14.122 -7.252 126 HA HIS 16 HA HIS 16 -17.158 -16.609 -8.295 127 HB2 HIS 16 2HB HIS 16 -16.112 -15.657 -5.680 128 HB3 HIS 16 3HB HIS 16 -17.277 -16.978 -5.643 129 HD1 HIS 16 HD1 HIS 16 -15.959 -19.042 -5.301 130 HD2 HIS 16 HD2 HIS 16 -14.172 -16.507 -8.066 131 HE1 HIS 16 HE1 HIS 16 -13.959 -20.296 -6.167 132 H LYS 17 H LYS 17 -18.277 -13.839 -6.442 133 HA LYS 17 HA LYS 17 -20.765 -14.857 -5.637 134 HB2 LYS 17 2HB LYS 17 -19.427 -12.290 -5.678 135 HB3 LYS 17 3HB LYS 17 -21.129 -12.115 -6.082 136 HG2 LYS 17 2HG LYS 17 -20.968 -11.847 -3.748 137 HG3 LYS 17 3HG LYS 17 -21.642 -13.457 -4.013 138 HD2 LYS 17 2HD LYS 17 -19.357 -14.396 -3.739 139 HD3 LYS 17 3HD LYS 17 -18.780 -12.777 -3.335 140 HE2 LYS 17 2HE LYS 17 -19.151 -13.776 -1.260 141 HE3 LYS 17 3HE LYS 17 -20.595 -12.799 -1.521 142 HZ1 LYS 17 3HZ LYS 17 -21.443 -14.812 -0.822 143 HZ2 LYS 17 1HZ LYS 17 -20.294 -15.727 -1.661 144 HZ3 LYS 17 2HZ LYS 17 -21.545 -14.961 -2.504 145 H LYS 18 H LYS 18 -20.401 -12.325 -8.104 146 HA LYS 18 HA LYS 18 -21.920 -13.806 -10.049 147 HB2 LYS 18 2HB LYS 18 -23.246 -11.954 -8.245 148 HB3 LYS 18 3HB LYS 18 -23.439 -11.472 -9.926 149 HG2 LYS 18 2HG LYS 18 -24.859 -13.136 -10.356 150 HG3 LYS 18 3HG LYS 18 -23.880 -14.320 -9.487 151 HD2 LYS 18 2HD LYS 18 -24.944 -13.931 -7.486 152 HD3 LYS 18 3HD LYS 18 -25.398 -12.282 -7.926 153 HE2 LYS 18 2HE LYS 18 -26.979 -13.279 -9.607 154 HE3 LYS 18 3HE LYS 18 -26.628 -14.855 -8.899 155 HZ1 LYS 18 3HZ LYS 18 -27.287 -13.042 -6.851 156 HZ2 LYS 18 1HZ LYS 18 -28.097 -14.454 -7.313 157 HZ3 LYS 18 2HZ LYS 18 -28.490 -12.978 -8.038 158 H LYS 19 H LYS 19 -21.694 -12.996 -12.105 159 HA LYS 19 HA LYS 19 -20.313 -10.423 -12.408 160 HB2 LYS 19 2HB LYS 19 -18.600 -12.161 -12.514 161 HB3 LYS 19 3HB LYS 19 -19.517 -13.014 -13.748 162 HG2 LYS 19 2HG LYS 19 -18.889 -10.223 -14.394 163 HG3 LYS 19 3HG LYS 19 -17.491 -11.291 -14.246 164 HD2 LYS 19 2HD LYS 19 -18.444 -12.816 -15.872 165 HD3 LYS 19 3HD LYS 19 -19.908 -11.834 -15.971 166 HE2 LYS 19 2HE LYS 19 -18.828 -10.984 -17.774 167 HE3 LYS 19 3HE LYS 19 -18.105 -9.951 -16.543 168 HZ1 LYS 19 3HZ LYS 19 -16.919 -12.153 -18.052 169 HZ2 LYS 19 1HZ LYS 19 -16.405 -11.943 -16.454 170 HZ3 LYS 19 2HZ LYS 19 -16.237 -10.682 -17.569 171 H THR 20 H THR 20 -21.540 -9.175 -13.641 172 HA THR 20 HA THR 20 -22.485 -10.077 -16.198 173 HB THR 20 HB THR 20 -24.890 -9.172 -15.485 174 HG1 THR 20 HG1 THR 20 -25.372 -9.973 -13.376 175 HG21 THR 20 1HG2 THR 20 -24.770 -11.915 -14.621 176 HG22 THR 20 2HG2 THR 20 -23.746 -11.672 -16.036 177 HG23 THR 20 3HG2 THR 20 -25.454 -11.239 -16.098 178 H GLY 21 H GLY 21 -22.156 -8.422 -17.525 179 HA2 GLY 21 2HA GLY 21 -22.779 -6.178 -18.203 180 HA3 GLY 21 3HA GLY 21 -22.666 -5.696 -16.517 181 H GLY 22 H GLY 22 -21.028 -5.969 -19.489 182 HA2 GLY 22 2HA GLY 22 -18.595 -4.920 -18.211 183 HA3 GLY 22 3HA GLY 22 -18.465 -6.257 -19.343 184 H TYR 23 H TYR 23 -20.326 -3.218 -19.354 185 HA TYR 23 HA TYR 23 -19.285 -2.714 -22.058 186 HB2 TYR 23 2HB TYR 23 -21.723 -1.508 -20.737 187 HB3 TYR 23 3HB TYR 23 -21.242 -1.324 -22.420 188 HD1 TYR 23 HD2 TYR 23 -22.460 -3.763 -19.915 189 HD2 TYR 23 HD1 TYR 23 -21.839 -2.940 -24.043 190 HE1 TYR 23 HE2 TYR 23 -23.787 -5.749 -20.505 191 HE2 TYR 23 HE1 TYR 23 -23.167 -4.922 -24.644 192 HH TYR 23 HH TYR 23 -25.215 -6.424 -22.688 193 HA PRO 24 HA PRO 24 -17.071 0.854 -20.782 194 HB2 PRO 24 2HB PRO 24 -17.401 2.493 -22.920 195 HB3 PRO 24 3HB PRO 24 -16.369 1.058 -22.960 196 HG2 PRO 24 2HG PRO 24 -19.167 1.408 -23.965 197 HG3 PRO 24 3HG PRO 24 -17.799 0.579 -24.730 198 HD2 PRO 24 2HD PRO 24 -19.762 -0.752 -23.424 199 HD3 PRO 24 3HD PRO 24 -18.082 -1.326 -23.464 200 H TRP 25 H TRP 25 -20.397 1.260 -21.812 201 HA TRP 25 HA TRP 25 -20.563 3.716 -20.190 202 HB2 TRP 25 2HB TRP 25 -22.048 4.638 -21.675 203 HB3 TRP 25 3HB TRP 25 -21.125 3.631 -22.787 204 HD1 TRP 25 HD1 TRP 25 -24.594 4.208 -21.534 205 HE1 TRP 25 HE1 TRP 25 -26.200 2.481 -22.566 206 HE3 TRP 25 HE3 TRP 25 -21.157 1.007 -23.552 207 HZ2 TRP 25 HZ2 TRP 25 -26.032 0.080 -24.040 208 HZ3 TRP 25 HZ3 TRP 25 -21.962 -0.982 -24.758 209 HH2 TRP 25 HH2 TRP 25 -24.350 -1.434 -24.995 210 H GLU 26 H GLU 26 -21.913 0.565 -20.834 211 HA GLU 26 HA GLU 26 -23.959 0.969 -18.771 212 HB2 GLU 26 2HB GLU 26 -23.816 -0.587 -21.203 213 HB3 GLU 26 3HB GLU 26 -24.222 -1.612 -19.834 214 HG2 GLU 26 2HG GLU 26 -25.795 0.699 -19.584 215 HG3 GLU 26 3HG GLU 26 -25.872 0.221 -21.278 216 H ARG 27 H ARG 27 -22.565 0.884 -16.970 217 HA ARG 27 HA ARG 27 -20.853 -1.369 -16.514 218 HB2 ARG 27 2HB ARG 27 -20.476 -0.385 -14.314 219 HB3 ARG 27 3HB ARG 27 -20.352 0.843 -15.568 220 HG2 ARG 27 2HG ARG 27 -21.733 2.061 -14.331 221 HG3 ARG 27 3HG ARG 27 -23.007 0.944 -14.825 222 HD2 ARG 27 2HD ARG 27 -21.995 -0.468 -12.808 223 HD3 ARG 27 3HD ARG 27 -21.533 1.142 -12.258 224 HE ARG 27 HE ARG 27 -24.215 1.248 -12.990 225 HH11 ARG 27 1HH1 ARG 27 -22.218 -0.331 -10.615 226 HH12 ARG 27 2HH1 ARG 27 -23.476 -0.424 -9.428 227 HH21 ARG 27 1HH2 ARG 27 -25.880 1.133 -11.435 228 HH22 ARG 27 2HH2 ARG 27 -25.559 0.408 -9.895 229 H GLY 28 H GLY 28 -24.156 -0.554 -15.799 230 HA2 GLY 28 2HA GLY 28 -25.216 -2.972 -15.405 231 HA3 GLY 28 3HA GLY 28 -24.438 -2.700 -13.853 232 H LYS 29 H LYS 29 -27.070 -3.100 -13.787 233 HA LYS 29 HA LYS 29 -28.292 -0.431 -13.599 234 HB2 LYS 29 2HB LYS 29 -30.460 -1.673 -13.547 235 HB3 LYS 29 3HB LYS 29 -29.554 -1.875 -15.040 236 HG2 LYS 29 2HG LYS 29 -28.764 -4.054 -14.268 237 HG3 LYS 29 3HG LYS 29 -29.675 -3.851 -12.769 238 HD2 LYS 29 2HD LYS 29 -31.392 -3.395 -15.020 239 HD3 LYS 29 3HD LYS 29 -30.571 -4.947 -15.201 240 HE2 LYS 29 2HE LYS 29 -31.532 -5.829 -13.310 241 HE3 LYS 29 3HE LYS 29 -31.760 -4.251 -12.560 242 HZ1 LYS 29 3HZ LYS 29 -33.671 -5.722 -13.842 243 HZ2 LYS 29 1HZ LYS 29 -33.271 -4.522 -14.966 244 HZ3 LYS 29 2HZ LYS 29 -33.788 -4.089 -13.416 245 H ALA 30 H ALA 30 -27.375 -3.258 -11.808 246 HA ALA 30 HA ALA 30 -28.321 -1.952 -9.343 247 HB1 ALA 30 3HB ALA 30 -28.153 -4.848 -9.140 248 HB2 ALA 30 1HB ALA 30 -29.453 -3.752 -8.669 249 HB3 ALA 30 2HB ALA 30 -29.334 -4.313 -10.337 Start of MODEL 3 1 H1 MET 1 H MET 1 2.113 1.833 0.335 2 HA MET 1 HA MET 1 1.819 -0.238 -0.788 3 HB2 MET 1 2HB MET 1 -0.514 -0.603 1.100 4 HB3 MET 1 3HB MET 1 -0.016 -1.747 -0.139 5 HG2 MET 1 2HG MET 1 1.731 -0.886 2.152 6 HG3 MET 1 3HG MET 1 0.710 -2.322 2.169 7 HE1 MET 1 3HE MET 1 1.358 -3.544 -1.073 8 HE2 MET 1 1HE MET 1 2.226 -4.772 -0.151 9 HE3 MET 1 2HE MET 1 0.740 -4.072 0.493 10 H LYS 2 H LYS 2 0.623 -0.519 -2.661 11 HA LYS 2 HA LYS 2 -0.696 1.683 -3.715 12 HB2 LYS 2 2HB LYS 2 -0.616 -1.215 -4.493 13 HB3 LYS 2 3HB LYS 2 -1.625 -0.083 -5.383 14 HG2 LYS 2 2HG LYS 2 0.895 1.130 -5.163 15 HG3 LYS 2 3HG LYS 2 1.190 -0.558 -5.591 16 HD2 LYS 2 2HD LYS 2 -0.877 1.057 -7.043 17 HD3 LYS 2 3HD LYS 2 0.829 1.168 -7.482 18 HE2 LYS 2 2HE LYS 2 -0.510 -1.498 -7.238 19 HE3 LYS 2 3HE LYS 2 -0.695 -0.538 -8.705 20 HZ1 LYS 2 3HZ LYS 2 2.004 -0.986 -7.651 21 HZ2 LYS 2 1HZ LYS 2 1.495 -0.775 -9.250 22 HZ3 LYS 2 2HZ LYS 2 1.239 -2.252 -8.468 23 H THR 3 H THR 3 -2.452 2.546 -2.784 24 HA THR 3 HA THR 3 -4.398 1.263 -1.294 25 HB THR 3 HB THR 3 -5.638 3.407 -2.738 26 HG1 THR 3 HG1 THR 3 -3.217 4.258 -1.566 27 HG21 THR 3 1HG2 THR 3 -4.464 3.676 0.001 28 HG22 THR 3 2HG2 THR 3 -5.797 2.554 -0.276 29 HG23 THR 3 3HG2 THR 3 -6.002 4.271 -0.621 30 H ILE 4 H ILE 4 -4.043 1.475 -4.748 31 HA ILE 4 HA ILE 4 -6.666 0.871 -5.537 32 HB ILE 4 HB ILE 4 -5.711 0.124 -7.656 33 HG12 ILE 4 2HG1 ILE 4 -2.965 0.639 -7.358 34 HG13 ILE 4 3HG1 ILE 4 -3.402 -0.377 -5.988 35 HG21 ILE 4 1HG2 ILE 4 -4.572 2.182 -8.273 36 HG22 ILE 4 2HG2 ILE 4 -5.938 2.523 -7.211 37 HG23 ILE 4 3HG2 ILE 4 -4.294 2.556 -6.572 38 HD11 ILE 4 3HD1 ILE 4 -3.611 -0.980 -8.912 39 HD12 ILE 4 1HD1 ILE 4 -2.753 -1.869 -7.653 40 HD13 ILE 4 2HD1 ILE 4 -4.516 -1.897 -7.708 41 H LEU 5 H LEU 5 -4.149 -1.111 -4.219 42 HA LEU 5 HA LEU 5 -4.906 -3.635 -5.121 43 HB2 LEU 5 2HB LEU 5 -3.780 -2.879 -2.429 44 HB3 LEU 5 3HB LEU 5 -3.802 -4.503 -3.111 45 HG LEU 5 HG LEU 5 -2.341 -2.209 -4.403 46 HD11 LEU 5 1HD1 LEU 5 -1.701 -3.168 -1.939 47 HD12 LEU 5 2HD1 LEU 5 -0.549 -2.485 -3.087 48 HD13 LEU 5 3HD1 LEU 5 -0.764 -4.233 -2.989 49 HD21 LEU 5 3HD2 LEU 5 -1.791 -5.146 -4.663 50 HD22 LEU 5 1HD2 LEU 5 -1.314 -3.827 -5.732 51 HD23 LEU 5 2HD2 LEU 5 -3.000 -4.342 -5.667 52 H ARG 6 H ARG 6 -6.033 -1.805 -2.298 53 HA ARG 6 HA ARG 6 -7.682 -3.729 -1.161 54 HB2 ARG 6 2HB ARG 6 -8.294 -0.773 -1.260 55 HB3 ARG 6 3HB ARG 6 -8.802 -1.928 -0.035 56 HG2 ARG 6 2HG ARG 6 -6.308 -2.260 0.425 57 HG3 ARG 6 3HG ARG 6 -6.077 -0.782 -0.511 58 HD2 ARG 6 2HD ARG 6 -7.385 0.487 1.013 59 HD3 ARG 6 3HD ARG 6 -7.952 -0.966 1.835 60 HE ARG 6 HE ARG 6 -5.480 0.417 2.277 61 HH11 ARG 6 1HH1 ARG 6 -7.094 -2.661 2.475 62 HH12 ARG 6 2HH1 ARG 6 -6.048 -3.277 3.711 63 HH21 ARG 6 1HH2 ARG 6 -4.096 -0.382 3.904 64 HH22 ARG 6 2HH2 ARG 6 -4.343 -1.979 4.524 65 H PHE 7 H PHE 7 -8.191 -1.692 -3.950 66 HA PHE 7 HA PHE 7 -11.003 -2.163 -4.151 67 HB2 PHE 7 2HB PHE 7 -9.002 -1.162 -6.186 68 HB3 PHE 7 3HB PHE 7 -10.744 -1.190 -6.433 69 HD1 PHE 7 HD2 PHE 7 -8.081 0.227 -4.283 70 HD2 PHE 7 HD1 PHE 7 -12.090 0.560 -5.675 71 HE1 PHE 7 HE2 PHE 7 -8.261 2.442 -3.226 72 HE2 PHE 7 HE1 PHE 7 -12.275 2.776 -4.621 73 HZ PHE 7 HZ PHE 7 -10.359 3.719 -3.394 74 H VAL 8 H VAL 8 -8.284 -3.251 -6.192 75 HA VAL 8 HA VAL 8 -9.718 -5.116 -7.686 76 HB VAL 8 HB VAL 8 -7.411 -4.294 -8.207 77 HG11 VAL 8 1HG1 VAL 8 -6.608 -6.319 -6.118 78 HG12 VAL 8 2HG1 VAL 8 -5.508 -5.470 -7.206 79 HG13 VAL 8 3HG1 VAL 8 -6.423 -4.570 -5.997 80 HG21 VAL 8 3HG2 VAL 8 -7.696 -7.298 -8.170 81 HG22 VAL 8 1HG2 VAL 8 -8.446 -6.224 -9.352 82 HG23 VAL 8 2HG2 VAL 8 -6.689 -6.344 -9.261 83 H ALA 9 H ALA 9 -8.331 -5.343 -4.496 84 HA ALA 9 HA ALA 9 -8.199 -8.103 -4.169 85 HB1 ALA 9 3HB ALA 9 -8.676 -7.519 -1.703 86 HB2 ALA 9 1HB ALA 9 -7.226 -6.861 -2.463 87 HB3 ALA 9 2HB ALA 9 -8.653 -5.845 -2.256 88 H GLY 10 H GLY 10 -10.946 -6.009 -4.353 89 HA2 GLY 10 2HA GLY 10 -12.755 -7.943 -3.157 90 HA3 GLY 10 3HA GLY 10 -13.191 -6.376 -3.819 91 H TYR 11 H TYR 11 -11.820 -6.863 -6.358 92 HA TYR 11 HA TYR 11 -13.936 -7.856 -7.857 93 HB2 TYR 11 2HB TYR 11 -12.225 -6.465 -8.860 94 HB3 TYR 11 3HB TYR 11 -10.999 -7.691 -8.561 95 HD1 TYR 11 HD2 TYR 11 -14.439 -8.057 -9.949 96 HD2 TYR 11 HD1 TYR 11 -10.255 -8.337 -10.669 97 HE1 TYR 11 HE2 TYR 11 -14.891 -9.039 -12.158 98 HE2 TYR 11 HE1 TYR 11 -10.696 -9.318 -12.881 99 HH TYR 11 HH TYR 11 -12.282 -10.235 -14.207 100 H ASP 12 H ASP 12 -10.974 -9.499 -6.797 101 HA ASP 12 HA ASP 12 -11.362 -11.937 -8.077 102 HB2 ASP 12 2HB ASP 12 -9.349 -11.065 -6.684 103 HB3 ASP 12 3HB ASP 12 -10.190 -11.788 -5.315 104 H ILE 13 H ILE 13 -12.846 -10.635 -5.206 105 HA ILE 13 HA ILE 13 -14.015 -13.172 -4.436 106 HB ILE 13 HB ILE 13 -14.666 -10.440 -3.332 107 HG12 ILE 13 2HG1 ILE 13 -12.263 -10.823 -3.140 108 HG13 ILE 13 3HG1 ILE 13 -13.024 -10.949 -1.558 109 HG21 ILE 13 1HG2 ILE 13 -15.764 -12.987 -2.881 110 HG22 ILE 13 2HG2 ILE 13 -14.795 -12.603 -1.460 111 HG23 ILE 13 3HG2 ILE 13 -16.070 -11.502 -1.981 112 HD11 ILE 13 3HD1 ILE 13 -11.583 -12.950 -3.122 113 HD12 ILE 13 1HD1 ILE 13 -11.826 -12.822 -1.379 114 HD13 ILE 13 2HD1 ILE 13 -13.081 -13.532 -2.396 115 H ALA 14 H ALA 14 -14.929 -10.286 -6.174 116 HA ALA 14 HA ALA 14 -17.741 -10.802 -6.161 117 HB1 ALA 14 3HB ALA 14 -17.741 -8.682 -6.810 118 HB2 ALA 14 1HB ALA 14 -15.999 -8.730 -7.081 119 HB3 ALA 14 2HB ALA 14 -17.106 -9.186 -8.376 120 H SER 15 H SER 15 -15.055 -11.791 -8.131 121 HA SER 15 HA SER 15 -16.452 -12.525 -10.462 122 HB2 SER 15 2HB SER 15 -14.153 -12.446 -10.778 123 HB3 SER 15 3HB SER 15 -13.812 -13.283 -9.264 124 HG SER 15 HG SER 15 -14.011 -15.147 -10.243 125 H HIS 16 H HIS 16 -15.979 -14.121 -7.396 126 HA HIS 16 HA HIS 16 -17.326 -16.526 -8.410 127 HB2 HIS 16 2HB HIS 16 -15.503 -16.005 -6.089 128 HB3 HIS 16 3HB HIS 16 -16.612 -17.373 -6.033 129 HD1 HIS 16 HD1 HIS 16 -14.206 -18.672 -5.960 130 HD2 HIS 16 HD2 HIS 16 -15.320 -16.937 -9.569 131 HE1 HIS 16 HE1 HIS 16 -12.775 -19.777 -7.708 132 H LYS 17 H LYS 17 -18.606 -13.925 -7.727 133 HA LYS 17 HA LYS 17 -20.077 -14.369 -5.299 134 HB2 LYS 17 2HB LYS 17 -19.488 -12.110 -6.359 135 HB3 LYS 17 3HB LYS 17 -20.812 -12.420 -7.474 136 HG2 LYS 17 2HG LYS 17 -22.367 -11.909 -5.955 137 HG3 LYS 17 3HG LYS 17 -21.528 -12.774 -4.664 138 HD2 LYS 17 2HD LYS 17 -20.305 -10.250 -5.625 139 HD3 LYS 17 3HD LYS 17 -21.792 -10.119 -4.682 140 HE2 LYS 17 2HE LYS 17 -19.643 -11.902 -3.665 141 HE3 LYS 17 3HE LYS 17 -19.397 -10.160 -3.542 142 HZ1 LYS 17 3HZ LYS 17 -21.913 -10.448 -2.636 143 HZ2 LYS 17 1HZ LYS 17 -20.540 -10.373 -1.649 144 HZ3 LYS 17 2HZ LYS 17 -21.195 -11.873 -2.075 145 H LYS 18 H LYS 18 -20.872 -14.428 -8.766 146 HA LYS 18 HA LYS 18 -22.919 -16.429 -8.238 147 HB2 LYS 18 2HB LYS 18 -23.591 -13.918 -9.778 148 HB3 LYS 18 3HB LYS 18 -24.680 -15.239 -9.369 149 HG2 LYS 18 2HG LYS 18 -24.309 -14.668 -6.955 150 HG3 LYS 18 3HG LYS 18 -23.453 -13.225 -7.503 151 HD2 LYS 18 2HD LYS 18 -25.510 -12.297 -7.335 152 HD3 LYS 18 3HD LYS 18 -25.706 -12.991 -8.947 153 HE2 LYS 18 2HE LYS 18 -26.566 -15.078 -7.726 154 HE3 LYS 18 3HE LYS 18 -26.711 -14.030 -6.315 155 HZ1 LYS 18 3HZ LYS 18 -28.691 -14.350 -7.979 156 HZ2 LYS 18 1HZ LYS 18 -27.896 -13.128 -8.837 157 HZ3 LYS 18 2HZ LYS 18 -28.404 -12.852 -7.247 158 H LYS 19 H LYS 19 -24.100 -16.595 -10.676 159 HA LYS 19 HA LYS 19 -22.453 -16.371 -12.921 160 HB2 LYS 19 2HB LYS 19 -21.508 -18.351 -11.234 161 HB3 LYS 19 3HB LYS 19 -22.462 -19.246 -12.409 162 HG2 LYS 19 2HG LYS 19 -20.703 -17.235 -13.594 163 HG3 LYS 19 3HG LYS 19 -19.857 -18.515 -12.720 164 HD2 LYS 19 2HD LYS 19 -20.320 -20.030 -14.298 165 HD3 LYS 19 3HD LYS 19 -22.012 -19.534 -14.389 166 HE2 LYS 19 2HE LYS 19 -20.984 -19.162 -16.526 167 HE3 LYS 19 3HE LYS 19 -21.312 -17.599 -15.779 168 HZ1 LYS 19 3HZ LYS 19 -19.173 -17.349 -16.550 169 HZ2 LYS 19 1HZ LYS 19 -18.729 -18.944 -16.203 170 HZ3 LYS 19 2HZ LYS 19 -18.892 -17.820 -14.950 171 H THR 20 H THR 20 -23.567 -16.862 -14.754 172 HA THR 20 HA THR 20 -26.351 -17.501 -14.466 173 HB THR 20 HB THR 20 -26.354 -17.350 -16.994 174 HG1 THR 20 HG1 THR 20 -23.800 -16.194 -16.814 175 HG21 THR 20 1HG2 THR 20 -26.585 -15.421 -15.202 176 HG22 THR 20 2HG2 THR 20 -26.519 -15.062 -16.927 177 HG23 THR 20 3HG2 THR 20 -25.076 -14.877 -15.932 178 H GLY 21 H GLY 21 -25.844 -19.672 -13.497 179 HA2 GLY 21 2HA GLY 21 -26.283 -21.934 -13.829 180 HA3 GLY 21 3HA GLY 21 -26.135 -21.682 -15.562 181 H GLY 22 H GLY 22 -23.922 -21.390 -16.418 182 HA2 GLY 22 2HA GLY 22 -21.560 -21.679 -16.186 183 HA3 GLY 22 3HA GLY 22 -21.852 -22.620 -14.731 184 H TYR 23 H TYR 23 -22.900 -22.776 -18.139 185 HA TYR 23 HA TYR 23 -22.033 -25.592 -18.158 186 HB2 TYR 23 2HB TYR 23 -24.454 -24.478 -19.589 187 HB3 TYR 23 3HB TYR 23 -23.936 -26.161 -19.554 188 HD1 TYR 23 HD1 TYR 23 -25.278 -23.407 -17.474 189 HD2 TYR 23 HD2 TYR 23 -24.556 -27.590 -17.771 190 HE1 TYR 23 HE1 TYR 23 -26.660 -23.782 -15.474 191 HE2 TYR 23 HE2 TYR 23 -25.936 -27.976 -15.773 192 HH TYR 23 HH TYR 23 -26.584 -26.247 -13.622 193 HA PRO 24 HA PRO 24 -19.725 -24.710 -21.785 194 HB2 PRO 24 2HB PRO 24 -19.964 -27.038 -23.161 195 HB3 PRO 24 3HB PRO 24 -18.979 -26.881 -21.701 196 HG2 PRO 24 2HG PRO 24 -21.746 -27.982 -22.011 197 HG3 PRO 24 3HG PRO 24 -20.392 -28.611 -21.054 198 HD2 PRO 24 2HD PRO 24 -22.421 -27.196 -19.954 199 HD3 PRO 24 3HD PRO 24 -20.761 -27.130 -19.327 200 H TRP 25 H TRP 25 -23.017 -25.853 -22.165 201 HA TRP 25 HA TRP 25 -23.131 -24.545 -24.803 202 HB2 TRP 25 2HB TRP 25 -24.558 -26.162 -25.584 203 HB3 TRP 25 3HB TRP 25 -23.649 -27.124 -24.421 204 HD1 TRP 25 HD1 TRP 25 -27.119 -26.024 -25.251 205 HE1 TRP 25 HE1 TRP 25 -28.763 -26.874 -23.463 206 HE3 TRP 25 HE3 TRP 25 -23.755 -27.566 -21.725 207 HZ2 TRP 25 HZ2 TRP 25 -28.648 -28.043 -20.896 208 HZ3 TRP 25 HZ3 TRP 25 -24.603 -28.539 -19.630 209 HH2 TRP 25 HH2 TRP 25 -27.000 -28.771 -19.226 210 H GLU 26 H GLU 26 -24.574 -24.831 -21.640 211 HA GLU 26 HA GLU 26 -26.642 -22.878 -22.356 212 HB2 GLU 26 2HB GLU 26 -26.505 -25.099 -20.511 213 HB3 GLU 26 3HB GLU 26 -26.966 -23.625 -19.672 214 HG2 GLU 26 2HG GLU 26 -28.474 -23.679 -22.035 215 HG3 GLU 26 3HG GLU 26 -28.531 -25.311 -21.371 216 H ARG 27 H ARG 27 -25.284 -21.049 -22.452 217 HA ARG 27 HA ARG 27 -25.078 -19.571 -20.084 218 HB2 ARG 27 2HB ARG 27 -23.252 -20.968 -19.432 219 HB3 ARG 27 3HB ARG 27 -22.516 -20.855 -21.025 220 HG2 ARG 27 2HG ARG 27 -22.908 -18.297 -19.624 221 HG3 ARG 27 3HG ARG 27 -21.742 -19.403 -18.897 222 HD2 ARG 27 2HD ARG 27 -20.309 -19.275 -20.667 223 HD3 ARG 27 3HD ARG 27 -21.601 -18.982 -21.830 224 HE ARG 27 HE ARG 27 -21.434 -16.753 -20.166 225 HH11 ARG 27 1HH1 ARG 27 -19.502 -18.400 -22.549 226 HH12 ARG 27 2HH1 ARG 27 -18.677 -16.965 -23.061 227 HH21 ARG 27 1HH2 ARG 27 -20.354 -14.858 -20.831 228 HH22 ARG 27 2HH2 ARG 27 -19.161 -14.952 -22.083 229 H GLY 28 H GLY 28 -23.891 -20.125 -23.346 230 HA2 GLY 28 2HA GLY 28 -23.417 -17.262 -23.726 231 HA3 GLY 28 3HA GLY 28 -23.003 -18.542 -24.857 232 H LYS 29 H LYS 29 -23.958 -17.436 -26.587 233 HA LYS 29 HA LYS 29 -26.692 -16.604 -26.521 234 HB2 LYS 29 2HB LYS 29 -26.406 -16.227 -28.937 235 HB3 LYS 29 3HB LYS 29 -25.098 -15.511 -28.004 236 HG2 LYS 29 2HG LYS 29 -23.730 -17.539 -28.530 237 HG3 LYS 29 3HG LYS 29 -25.017 -18.042 -29.628 238 HD2 LYS 29 2HD LYS 29 -24.749 -15.953 -30.885 239 HD3 LYS 29 3HD LYS 29 -23.448 -15.468 -29.795 240 HE2 LYS 29 2HE LYS 29 -21.960 -16.673 -30.928 241 HE3 LYS 29 3HE LYS 29 -22.976 -18.111 -30.839 242 HZ1 LYS 29 3HZ LYS 29 -24.224 -16.589 -32.697 243 HZ2 LYS 29 1HZ LYS 29 -23.165 -17.866 -33.032 244 HZ3 LYS 29 2HZ LYS 29 -22.593 -16.275 -33.015 245 H ALA 30 H ALA 30 -24.978 -19.473 -27.605 246 HA ALA 30 HA ALA 30 -25.696 -21.550 -28.201 247 HB1 ALA 30 3HB ALA 30 -27.099 -21.127 -26.094 248 HB2 ALA 30 1HB ALA 30 -28.438 -20.852 -27.209 249 HB3 ALA 30 2HB ALA 30 -27.613 -22.410 -27.188 Start of MODEL 4 1 H1 MET 1 H MET 1 1.151 0.461 0.953 2 HA MET 1 HA MET 1 2.606 1.087 -0.682 3 HB2 MET 1 2HB MET 1 2.873 -1.557 -0.684 4 HB3 MET 1 3HB MET 1 2.136 -1.390 -2.272 5 HG2 MET 1 2HG MET 1 3.922 -0.182 -3.117 6 HG3 MET 1 3HG MET 1 4.495 0.278 -1.515 7 HE1 MET 1 3HE MET 1 4.904 -3.940 -3.318 8 HE2 MET 1 1HE MET 1 3.403 -3.024 -3.188 9 HE3 MET 1 2HE MET 1 4.642 -2.528 -4.341 10 H LYS 2 H LYS 2 -0.281 -0.562 -1.911 11 HA LYS 2 HA LYS 2 -0.715 1.703 -3.723 12 HB2 LYS 2 2HB LYS 2 -0.619 -1.207 -4.452 13 HB3 LYS 2 3HB LYS 2 -1.621 -0.092 -5.373 14 HG2 LYS 2 2HG LYS 2 1.049 0.948 -5.003 15 HG3 LYS 2 3HG LYS 2 1.066 -0.641 -5.774 16 HD2 LYS 2 2HD LYS 2 0.098 0.126 -7.665 17 HD3 LYS 2 3HD LYS 2 -0.954 1.246 -6.796 18 HE2 LYS 2 2HE LYS 2 1.647 2.214 -6.434 19 HE3 LYS 2 3HE LYS 2 1.550 1.742 -8.130 20 HZ1 LYS 2 3HZ LYS 2 -0.356 3.136 -8.420 21 HZ2 LYS 2 1HZ LYS 2 0.872 4.060 -7.714 22 HZ3 LYS 2 2HZ LYS 2 -0.415 3.502 -6.770 23 H THR 3 H THR 3 -2.485 2.577 -2.831 24 HA THR 3 HA THR 3 -4.449 1.317 -1.345 25 HB THR 3 HB THR 3 -5.747 3.399 -2.754 26 HG1 THR 3 HG1 THR 3 -3.172 4.244 -1.909 27 HG21 THR 3 1HG2 THR 3 -4.310 3.649 -0.119 28 HG22 THR 3 2HG2 THR 3 -5.816 2.749 -0.301 29 HG23 THR 3 3HG2 THR 3 -5.774 4.478 -0.645 30 H ILE 4 H ILE 4 -4.049 1.469 -4.795 31 HA ILE 4 HA ILE 4 -6.661 0.845 -5.608 32 HB ILE 4 HB ILE 4 -5.676 0.066 -7.702 33 HG12 ILE 4 2HG1 ILE 4 -2.936 0.592 -7.378 34 HG13 ILE 4 3HG1 ILE 4 -3.389 -0.404 -5.997 35 HG21 ILE 4 1HG2 ILE 4 -5.804 2.544 -6.975 36 HG22 ILE 4 2HG2 ILE 4 -4.047 2.439 -6.888 37 HG23 ILE 4 3HG2 ILE 4 -4.875 2.123 -8.413 38 HD11 ILE 4 3HD1 ILE 4 -4.471 -1.962 -7.692 39 HD12 ILE 4 1HD1 ILE 4 -3.580 -1.056 -8.913 40 HD13 ILE 4 2HD1 ILE 4 -2.709 -1.913 -7.641 41 H LEU 5 H LEU 5 -4.157 -1.107 -4.222 42 HA LEU 5 HA LEU 5 -4.896 -3.648 -5.091 43 HB2 LEU 5 2HB LEU 5 -3.804 -2.842 -2.399 44 HB3 LEU 5 3HB LEU 5 -3.814 -4.479 -3.054 45 HG LEU 5 HG LEU 5 -2.342 -2.202 -4.366 46 HD11 LEU 5 1HD1 LEU 5 -0.774 -4.196 -2.904 47 HD12 LEU 5 2HD1 LEU 5 -1.731 -3.126 -1.879 48 HD13 LEU 5 3HD1 LEU 5 -0.569 -2.447 -3.021 49 HD21 LEU 5 3HD2 LEU 5 -2.978 -4.352 -5.608 50 HD22 LEU 5 1HD2 LEU 5 -1.790 -5.144 -4.572 51 HD23 LEU 5 2HD2 LEU 5 -1.289 -3.844 -5.652 52 H ARG 6 H ARG 6 -6.061 -1.773 -2.314 53 HA ARG 6 HA ARG 6 -7.718 -3.682 -1.164 54 HB2 ARG 6 2HB ARG 6 -8.217 -0.704 -1.326 55 HB3 ARG 6 3HB ARG 6 -8.932 -1.812 -0.163 56 HG2 ARG 6 2HG ARG 6 -6.630 -2.306 0.667 57 HG3 ARG 6 3HG ARG 6 -6.041 -1.016 -0.385 58 HD2 ARG 6 2HD ARG 6 -6.442 0.390 1.295 59 HD3 ARG 6 3HD ARG 6 -8.159 0.133 0.988 60 HE ARG 6 HE ARG 6 -8.282 -1.090 2.916 61 HH11 ARG 6 1HH1 ARG 6 -4.942 -0.764 1.988 62 HH12 ARG 6 2HH1 ARG 6 -4.331 -1.467 3.449 63 HH21 ARG 6 1HH2 ARG 6 -7.490 -2.017 4.844 64 HH22 ARG 6 2HH2 ARG 6 -5.782 -2.180 5.073 65 H PHE 7 H PHE 7 -8.198 -1.697 -3.994 66 HA PHE 7 HA PHE 7 -11.007 -2.177 -4.221 67 HB2 PHE 7 2HB PHE 7 -8.982 -1.207 -6.248 68 HB3 PHE 7 3HB PHE 7 -10.721 -1.246 -6.518 69 HD1 PHE 7 HD2 PHE 7 -8.091 0.222 -4.362 70 HD2 PHE 7 HD1 PHE 7 -12.084 0.511 -5.807 71 HE1 PHE 7 HE2 PHE 7 -8.292 2.454 -3.348 72 HE2 PHE 7 HE1 PHE 7 -12.291 2.744 -4.795 73 HZ PHE 7 HZ PHE 7 -10.395 3.718 -3.562 74 H VAL 8 H VAL 8 -8.261 -3.295 -6.208 75 HA VAL 8 HA VAL 8 -9.674 -5.190 -7.687 76 HB VAL 8 HB VAL 8 -7.362 -4.372 -8.194 77 HG11 VAL 8 1HG1 VAL 8 -5.469 -5.528 -7.151 78 HG12 VAL 8 2HG1 VAL 8 -6.398 -4.605 -5.970 79 HG13 VAL 8 3HG1 VAL 8 -6.580 -6.357 -6.061 80 HG21 VAL 8 3HG2 VAL 8 -8.307 -6.269 -9.385 81 HG22 VAL 8 1HG2 VAL 8 -6.580 -6.508 -9.121 82 HG23 VAL 8 2HG2 VAL 8 -7.752 -7.363 -8.120 83 H ALA 9 H ALA 9 -8.321 -5.357 -4.477 84 HA ALA 9 HA ALA 9 -8.188 -8.112 -4.101 85 HB1 ALA 9 3HB ALA 9 -9.020 -6.120 -2.001 86 HB2 ALA 9 1HB ALA 9 -8.224 -7.674 -1.757 87 HB3 ALA 9 2HB ALA 9 -7.353 -6.350 -2.531 88 H GLY 10 H GLY 10 -10.936 -6.025 -4.351 89 HA2 GLY 10 2HA GLY 10 -12.752 -7.956 -3.152 90 HA3 GLY 10 3HA GLY 10 -13.185 -6.388 -3.818 91 H TYR 11 H TYR 11 -11.839 -6.835 -6.353 92 HA TYR 11 HA TYR 11 -13.930 -7.842 -7.861 93 HB2 TYR 11 2HB TYR 11 -12.256 -6.461 -8.891 94 HB3 TYR 11 3HB TYR 11 -10.990 -7.627 -8.523 95 HD1 TYR 11 HD2 TYR 11 -14.372 -8.038 -10.055 96 HD2 TYR 11 HD1 TYR 11 -10.163 -8.443 -10.524 97 HE1 TYR 11 HE2 TYR 11 -14.724 -9.103 -12.244 98 HE2 TYR 11 HE1 TYR 11 -10.503 -9.508 -12.714 99 HH TYR 11 HH TYR 11 -13.338 -9.378 -14.400 100 H ASP 12 H ASP 12 -10.959 -9.487 -6.824 101 HA ASP 12 HA ASP 12 -11.401 -11.932 -8.095 102 HB2 ASP 12 2HB ASP 12 -9.317 -11.067 -6.819 103 HB3 ASP 12 3HB ASP 12 -10.094 -11.749 -5.394 104 H ILE 13 H ILE 13 -12.796 -10.583 -5.214 105 HA ILE 13 HA ILE 13 -13.893 -13.109 -4.319 106 HB ILE 13 HB ILE 13 -14.509 -10.332 -3.309 107 HG12 ILE 13 2HG1 ILE 13 -12.107 -10.850 -3.131 108 HG13 ILE 13 3HG1 ILE 13 -12.871 -10.781 -1.547 109 HG21 ILE 13 1HG2 ILE 13 -14.914 -13.043 -2.050 110 HG22 ILE 13 2HG2 ILE 13 -15.266 -11.489 -1.294 111 HG23 ILE 13 3HG2 ILE 13 -16.180 -12.007 -2.711 112 HD11 ILE 13 3HD1 ILE 13 -12.965 -13.223 -1.497 113 HD12 ILE 13 1HD1 ILE 13 -12.176 -13.279 -3.074 114 HD13 ILE 13 2HD1 ILE 13 -11.315 -12.628 -1.678 115 H ALA 14 H ALA 14 -14.979 -10.216 -5.995 116 HA ALA 14 HA ALA 14 -17.754 -10.892 -5.947 117 HB1 ALA 14 3HB ALA 14 -16.107 -8.737 -6.972 118 HB2 ALA 14 1HB ALA 14 -17.396 -9.182 -8.092 119 HB3 ALA 14 2HB ALA 14 -17.787 -8.719 -6.434 120 H SER 15 H SER 15 -15.066 -11.718 -7.971 121 HA SER 15 HA SER 15 -16.423 -12.416 -10.327 122 HB2 SER 15 2HB SER 15 -13.789 -12.433 -9.481 123 HB3 SER 15 3HB SER 15 -14.145 -14.144 -9.713 124 HG SER 15 HG SER 15 -14.827 -12.219 -11.662 125 H HIS 16 H HIS 16 -15.857 -14.174 -7.339 126 HA HIS 16 HA HIS 16 -17.133 -16.567 -8.423 127 HB2 HIS 16 2HB HIS 16 -15.534 -15.959 -5.969 128 HB3 HIS 16 3HB HIS 16 -16.617 -17.348 -5.960 129 HD1 HIS 16 HD1 HIS 16 -15.598 -19.452 -6.756 130 HD2 HIS 16 HD2 HIS 16 -13.658 -16.117 -8.300 131 HE1 HIS 16 HE1 HIS 16 -13.659 -20.354 -8.079 132 H LYS 17 H LYS 17 -17.775 -13.878 -6.335 133 HA LYS 17 HA LYS 17 -19.939 -14.938 -4.875 134 HB2 LYS 17 2HB LYS 17 -18.700 -12.819 -4.348 135 HB3 LYS 17 3HB LYS 17 -19.539 -12.055 -5.692 136 HG2 LYS 17 2HG LYS 17 -20.898 -11.414 -3.993 137 HG3 LYS 17 3HG LYS 17 -21.668 -12.949 -4.404 138 HD2 LYS 17 2HD LYS 17 -19.481 -13.223 -2.489 139 HD3 LYS 17 3HD LYS 17 -20.799 -12.206 -1.904 140 HE2 LYS 17 2HE LYS 17 -22.331 -14.109 -2.736 141 HE3 LYS 17 3HE LYS 17 -20.862 -15.083 -2.744 142 HZ1 LYS 17 3HZ LYS 17 -22.144 -13.756 -0.427 143 HZ2 LYS 17 1HZ LYS 17 -20.569 -14.367 -0.369 144 HZ3 LYS 17 2HZ LYS 17 -21.870 -15.409 -0.658 145 H LYS 18 H LYS 18 -19.876 -12.970 -7.842 146 HA LYS 18 HA LYS 18 -22.339 -14.241 -8.718 147 HB2 LYS 18 2HB LYS 18 -22.975 -12.194 -7.382 148 HB3 LYS 18 3HB LYS 18 -22.155 -11.229 -8.602 149 HG2 LYS 18 2HG LYS 18 -23.698 -12.339 -10.291 150 HG3 LYS 18 3HG LYS 18 -24.625 -12.906 -8.900 151 HD2 LYS 18 2HD LYS 18 -25.725 -10.948 -9.302 152 HD3 LYS 18 3HD LYS 18 -24.464 -10.347 -8.222 153 HE2 LYS 18 2HE LYS 18 -23.250 -9.405 -9.966 154 HE3 LYS 18 3HE LYS 18 -24.025 -10.418 -11.183 155 HZ1 LYS 18 3HZ LYS 18 -26.132 -9.159 -10.568 156 HZ2 LYS 18 1HZ LYS 18 -24.967 -8.324 -11.468 157 HZ3 LYS 18 2HZ LYS 18 -25.114 -8.041 -9.808 158 H LYS 19 H LYS 19 -21.884 -14.918 -10.698 159 HA LYS 19 HA LYS 19 -20.158 -13.249 -12.403 160 HB2 LYS 19 2HB LYS 19 -19.280 -15.505 -11.881 161 HB3 LYS 19 3HB LYS 19 -20.716 -16.215 -12.609 162 HG2 LYS 19 2HG LYS 19 -19.361 -14.351 -14.383 163 HG3 LYS 19 3HG LYS 19 -18.336 -15.698 -13.880 164 HD2 LYS 19 2HD LYS 19 -19.488 -17.172 -15.111 165 HD3 LYS 19 3HD LYS 19 -21.044 -16.515 -14.598 166 HE2 LYS 19 2HE LYS 19 -21.220 -15.181 -16.408 167 HE3 LYS 19 3HE LYS 19 -19.498 -14.805 -16.426 168 HZ1 LYS 19 3HZ LYS 19 -19.365 -17.308 -17.179 169 HZ2 LYS 19 1HZ LYS 19 -19.644 -16.065 -18.293 170 HZ3 LYS 19 2HZ LYS 19 -20.937 -16.994 -17.724 171 H THR 20 H THR 20 -23.315 -14.371 -11.971 172 HA THR 20 HA THR 20 -24.285 -13.023 -14.264 173 HB THR 20 HB THR 20 -23.465 -14.955 -15.488 174 HG1 THR 20 HG1 THR 20 -25.700 -13.995 -15.824 175 HG21 THR 20 1HG2 THR 20 -24.488 -16.388 -13.195 176 HG22 THR 20 2HG2 THR 20 -23.372 -16.928 -14.449 177 HG23 THR 20 3HG2 THR 20 -25.113 -17.063 -14.699 178 H GLY 21 H GLY 21 -26.519 -12.769 -14.228 179 HA2 GLY 21 2HA GLY 21 -28.483 -14.206 -13.059 180 HA3 GLY 21 3HA GLY 21 -27.757 -13.385 -11.686 181 H GLY 22 H GLY 22 -28.345 -11.337 -11.245 182 HA2 GLY 22 2HA GLY 22 -29.256 -9.483 -13.189 183 HA3 GLY 22 3HA GLY 22 -30.627 -10.215 -12.369 184 H TYR 23 H TYR 23 -31.085 -9.665 -10.265 185 HA TYR 23 HA TYR 23 -29.559 -7.377 -9.221 186 HB2 TYR 23 2HB TYR 23 -32.380 -8.220 -8.531 187 HB3 TYR 23 3HB TYR 23 -31.573 -6.742 -8.022 188 HD1 TYR 23 HD1 TYR 23 -32.930 -8.538 -10.962 189 HD2 TYR 23 HD2 TYR 23 -31.551 -4.825 -9.408 190 HE1 TYR 23 HE1 TYR 23 -33.783 -7.391 -12.963 191 HE2 TYR 23 HE2 TYR 23 -32.401 -3.666 -11.405 192 HH TYR 23 HH TYR 23 -33.180 -3.966 -13.515 193 HA PRO 24 HA PRO 24 -28.232 -9.592 -5.674 194 HB2 PRO 24 2HB PRO 24 -28.322 -7.663 -3.764 195 HB3 PRO 24 3HB PRO 24 -27.107 -7.688 -5.047 196 HG2 PRO 24 2HG PRO 24 -29.635 -6.096 -4.863 197 HG3 PRO 24 3HG PRO 24 -28.024 -5.581 -5.399 198 HD2 PRO 24 2HD PRO 24 -30.008 -6.199 -7.135 199 HD3 PRO 24 3HD PRO 24 -28.295 -6.489 -7.500 200 H TRP 25 H TRP 25 -31.272 -7.854 -5.489 201 HA TRP 25 HA TRP 25 -32.152 -9.690 -3.358 202 HB2 TRP 25 2HB TRP 25 -33.397 -8.024 -2.388 203 HB3 TRP 25 3HB TRP 25 -32.110 -7.048 -3.089 204 HD1 TRP 25 HD1 TRP 25 -35.817 -7.493 -3.134 205 HE1 TRP 25 HE1 TRP 25 -36.874 -5.888 -4.848 206 HE3 TRP 25 HE3 TRP 25 -31.572 -5.962 -5.538 207 HZ2 TRP 25 HZ2 TRP 25 -36.020 -4.199 -6.942 208 HZ3 TRP 25 HZ3 TRP 25 -31.779 -4.351 -7.386 209 HH2 TRP 25 HH2 TRP 25 -33.958 -3.489 -8.072 210 H GLU 26 H GLU 26 -32.852 -8.340 -6.498 211 HA GLU 26 HA GLU 26 -35.351 -9.857 -6.659 212 HB2 GLU 26 2HB GLU 26 -34.413 -7.388 -7.793 213 HB3 GLU 26 3HB GLU 26 -34.877 -8.489 -9.083 214 HG2 GLU 26 2HG GLU 26 -36.899 -8.648 -7.140 215 HG3 GLU 26 3HG GLU 26 -36.529 -6.936 -7.345 216 H ARG 27 H ARG 27 -32.551 -10.972 -6.754 217 HA ARG 27 HA ARG 27 -31.793 -11.783 -9.285 218 HB2 ARG 27 2HB ARG 27 -30.720 -12.197 -6.930 219 HB3 ARG 27 3HB ARG 27 -31.625 -13.704 -6.995 220 HG2 ARG 27 2HG ARG 27 -30.173 -13.233 -9.449 221 HG3 ARG 27 3HG ARG 27 -29.106 -13.227 -8.042 222 HD2 ARG 27 2HD ARG 27 -31.051 -15.398 -8.817 223 HD3 ARG 27 3HD ARG 27 -29.294 -15.469 -8.944 224 HE ARG 27 HE ARG 27 -30.877 -15.859 -6.579 225 HH11 ARG 27 1HH1 ARG 27 -27.750 -14.955 -7.816 226 HH12 ARG 27 2HH1 ARG 27 -26.906 -15.390 -6.365 227 HH21 ARG 27 1HH2 ARG 27 -29.777 -16.433 -4.664 228 HH22 ARG 27 2HH2 ARG 27 -28.061 -16.231 -4.574 229 H GLY 28 H GLY 28 -34.427 -12.908 -7.301 230 HA2 GLY 28 2HA GLY 28 -35.972 -13.980 -9.274 231 HA3 GLY 28 3HA GLY 28 -34.903 -15.301 -8.826 232 H LYS 29 H LYS 29 -36.673 -12.795 -7.009 233 HA LYS 29 HA LYS 29 -37.250 -14.550 -4.851 234 HB2 LYS 29 2HB LYS 29 -38.578 -12.740 -3.959 235 HB3 LYS 29 3HB LYS 29 -37.088 -12.085 -4.625 236 HG2 LYS 29 2HG LYS 29 -38.433 -11.600 -6.731 237 HG3 LYS 29 3HG LYS 29 -39.864 -11.924 -5.749 238 HD2 LYS 29 2HD LYS 29 -38.891 -10.212 -4.108 239 HD3 LYS 29 3HD LYS 29 -37.822 -9.744 -5.432 240 HE2 LYS 29 2HE LYS 29 -40.022 -9.578 -6.801 241 HE3 LYS 29 3HE LYS 29 -40.798 -9.505 -5.220 242 HZ1 LYS 29 3HZ LYS 29 -39.386 -7.474 -6.620 243 HZ2 LYS 29 1HZ LYS 29 -38.709 -7.724 -5.090 244 HZ3 LYS 29 2HZ LYS 29 -40.351 -7.347 -5.236 245 H ALA 30 H ALA 30 -38.889 -13.722 -7.806 246 HA ALA 30 HA ALA 30 -41.117 -15.486 -7.019 247 HB1 ALA 30 3HB ALA 30 -41.908 -13.208 -7.206 248 HB2 ALA 30 1HB ALA 30 -41.216 -13.072 -8.824 249 HB3 ALA 30 2HB ALA 30 -42.559 -14.177 -8.528 Start of MODEL 5 1 H1 MET 1 H MET 1 2.650 2.298 -0.255 2 HA MET 1 HA MET 1 2.090 -0.476 -1.062 3 HB2 MET 1 2HB MET 1 1.431 0.525 1.391 4 HB3 MET 1 3HB MET 1 -0.029 0.870 0.474 5 HG2 MET 1 2HG MET 1 -0.550 -1.203 1.220 6 HG3 MET 1 3HG MET 1 0.275 -1.643 -0.274 7 HE1 MET 1 3HE MET 1 2.576 -2.612 -0.472 8 HE2 MET 1 1HE MET 1 3.094 -3.781 0.744 9 HE3 MET 1 2HE MET 1 1.492 -3.917 0.016 10 H LYS 2 H LYS 2 -0.102 -0.697 -2.082 11 HA LYS 2 HA LYS 2 -0.698 1.690 -3.705 12 HB2 LYS 2 2HB LYS 2 -0.610 -1.226 -4.411 13 HB3 LYS 2 3HB LYS 2 -1.605 -0.116 -5.346 14 HG2 LYS 2 2HG LYS 2 0.325 1.191 -5.941 15 HG3 LYS 2 3HG LYS 2 1.354 0.213 -4.891 16 HD2 LYS 2 2HD LYS 2 1.137 -1.684 -6.282 17 HD3 LYS 2 3HD LYS 2 -0.209 -0.970 -7.173 18 HE2 LYS 2 2HE LYS 2 1.580 0.877 -7.735 19 HE3 LYS 2 3HE LYS 2 2.715 -0.422 -7.373 20 HZ1 LYS 2 3HZ LYS 2 2.229 -1.464 -9.268 21 HZ2 LYS 2 1HZ LYS 2 1.532 -0.004 -9.766 22 HZ3 LYS 2 2HZ LYS 2 0.563 -1.222 -9.105 23 H THR 3 H THR 3 -2.471 2.582 -2.838 24 HA THR 3 HA THR 3 -4.449 1.345 -1.352 25 HB THR 3 HB THR 3 -5.648 3.454 -2.885 26 HG1 THR 3 HG1 THR 3 -4.073 4.864 -3.060 27 HG21 THR 3 1HG2 THR 3 -6.108 2.792 -0.518 28 HG22 THR 3 2HG2 THR 3 -5.837 4.520 -0.742 29 HG23 THR 3 3HG2 THR 3 -4.559 3.507 -0.071 30 H ILE 4 H ILE 4 -4.026 1.461 -4.802 31 HA ILE 4 HA ILE 4 -6.636 0.842 -5.625 32 HB ILE 4 HB ILE 4 -5.642 0.039 -7.706 33 HG12 ILE 4 2HG1 ILE 4 -2.902 0.554 -7.368 34 HG13 ILE 4 3HG1 ILE 4 -3.367 -0.427 -5.982 35 HG21 ILE 4 1HG2 ILE 4 -5.091 2.109 -8.412 36 HG22 ILE 4 2HG2 ILE 4 -5.610 2.567 -6.789 37 HG23 ILE 4 3HG2 ILE 4 -3.895 2.343 -7.137 38 HD11 ILE 4 3HD1 ILE 4 -2.687 -1.957 -7.601 39 HD12 ILE 4 1HD1 ILE 4 -4.449 -1.992 -7.676 40 HD13 ILE 4 2HD1 ILE 4 -3.531 -1.104 -8.893 41 H LEU 5 H LEU 5 -4.150 -1.108 -4.204 42 HA LEU 5 HA LEU 5 -4.893 -3.653 -5.054 43 HB2 LEU 5 2HB LEU 5 -3.818 -2.827 -2.361 44 HB3 LEU 5 3HB LEU 5 -3.829 -4.470 -3.001 45 HG LEU 5 HG LEU 5 -2.339 -2.212 -4.325 46 HD11 LEU 5 1HD1 LEU 5 -0.786 -4.192 -2.832 47 HD12 LEU 5 2HD1 LEU 5 -1.751 -3.114 -1.823 48 HD13 LEU 5 3HD1 LEU 5 -0.581 -2.445 -2.961 49 HD21 LEU 5 3HD2 LEU 5 -1.284 -3.871 -5.586 50 HD22 LEU 5 1HD2 LEU 5 -2.973 -4.375 -5.546 51 HD23 LEU 5 2HD2 LEU 5 -1.795 -5.158 -4.493 52 H ARG 6 H ARG 6 -6.071 -1.749 -2.304 53 HA ARG 6 HA ARG 6 -7.745 -3.640 -1.148 54 HB2 ARG 6 2HB ARG 6 -7.752 -0.649 -1.246 55 HB3 ARG 6 3HB ARG 6 -9.130 -1.486 -0.543 56 HG2 ARG 6 2HG ARG 6 -7.803 -2.452 1.153 57 HG3 ARG 6 3HG ARG 6 -6.305 -1.994 0.341 58 HD2 ARG 6 2HD ARG 6 -6.291 -0.025 1.372 59 HD3 ARG 6 3HD ARG 6 -7.920 0.331 0.797 60 HE ARG 6 HE ARG 6 -8.025 -1.455 2.984 61 HH11 ARG 6 1HH1 ARG 6 -7.402 1.882 2.210 62 HH12 ARG 6 2HH1 ARG 6 -7.909 2.471 3.758 63 HH21 ARG 6 1HH2 ARG 6 -8.695 -0.692 5.026 64 HH22 ARG 6 2HH2 ARG 6 -8.643 1.007 5.359 65 H PHE 7 H PHE 7 -8.196 -1.679 -4.001 66 HA PHE 7 HA PHE 7 -11.005 -2.149 -4.245 67 HB2 PHE 7 2HB PHE 7 -8.961 -1.208 -6.266 68 HB3 PHE 7 3HB PHE 7 -10.699 -1.240 -6.546 69 HD1 PHE 7 HD2 PHE 7 -8.076 0.233 -4.384 70 HD2 PHE 7 HD1 PHE 7 -12.056 0.531 -5.863 71 HE1 PHE 7 HE2 PHE 7 -8.273 2.475 -3.391 72 HE2 PHE 7 HE1 PHE 7 -12.260 2.774 -4.873 73 HZ PHE 7 HZ PHE 7 -10.367 3.749 -3.633 74 H VAL 8 H VAL 8 -8.248 -3.297 -6.200 75 HA VAL 8 HA VAL 8 -9.657 -5.200 -7.673 76 HB VAL 8 HB VAL 8 -7.337 -4.396 -8.168 77 HG11 VAL 8 1HG1 VAL 8 -6.392 -4.612 -5.935 78 HG12 VAL 8 2HG1 VAL 8 -6.581 -6.364 -6.010 79 HG13 VAL 8 3HG1 VAL 8 -5.458 -5.550 -7.098 80 HG21 VAL 8 3HG2 VAL 8 -8.179 -6.237 -9.425 81 HG22 VAL 8 1HG2 VAL 8 -6.523 -6.634 -8.963 82 HG23 VAL 8 2HG2 VAL 8 -7.879 -7.359 -8.099 83 H ALA 9 H ALA 9 -8.331 -5.344 -4.450 84 HA ALA 9 HA ALA 9 -8.215 -8.095 -4.048 85 HB1 ALA 9 3HB ALA 9 -8.405 -5.716 -2.333 86 HB2 ALA 9 1HB ALA 9 -8.970 -7.218 -1.602 87 HB3 ALA 9 2HB ALA 9 -7.326 -7.107 -2.233 88 H GLY 10 H GLY 10 -10.950 -5.997 -4.338 89 HA2 GLY 10 2HA GLY 10 -12.785 -7.906 -3.134 90 HA3 GLY 10 3HA GLY 10 -13.205 -6.343 -3.819 91 H TYR 11 H TYR 11 -11.929 -6.741 -6.350 92 HA TYR 11 HA TYR 11 -14.002 -7.829 -7.829 93 HB2 TYR 11 2HB TYR 11 -12.416 -6.366 -8.881 94 HB3 TYR 11 3HB TYR 11 -11.088 -7.469 -8.542 95 HD1 TYR 11 HD1 TYR 11 -14.467 -8.148 -9.966 96 HD2 TYR 11 HD2 TYR 11 -10.261 -8.127 -10.611 97 HE1 TYR 11 HE1 TYR 11 -14.804 -9.218 -12.155 98 HE2 TYR 11 HE2 TYR 11 -10.586 -9.195 -12.803 99 HH TYR 11 HH TYR 11 -12.654 -10.796 -13.780 100 H ASP 12 H ASP 12 -10.945 -9.346 -6.852 101 HA ASP 12 HA ASP 12 -11.276 -11.793 -8.143 102 HB2 ASP 12 2HB ASP 12 -9.287 -10.767 -6.711 103 HB3 ASP 12 3HB ASP 12 -10.011 -11.752 -5.443 104 H ILE 13 H ILE 13 -12.699 -10.565 -5.211 105 HA ILE 13 HA ILE 13 -13.715 -13.154 -4.402 106 HB ILE 13 HB ILE 13 -14.419 -10.451 -3.262 107 HG12 ILE 13 2HG1 ILE 13 -11.985 -10.838 -3.186 108 HG13 ILE 13 3HG1 ILE 13 -12.699 -10.861 -1.577 109 HG21 ILE 13 1HG2 ILE 13 -14.599 -13.213 -2.067 110 HG22 ILE 13 2HG2 ILE 13 -15.074 -11.704 -1.290 111 HG23 ILE 13 3HG2 ILE 13 -15.957 -12.284 -2.703 112 HD11 ILE 13 3HD1 ILE 13 -12.130 -13.354 -3.151 113 HD12 ILE 13 1HD1 ILE 13 -10.971 -12.620 -2.042 114 HD13 ILE 13 2HD1 ILE 13 -12.518 -13.212 -1.436 115 H ALA 14 H ALA 14 -14.835 -10.303 -6.077 116 HA ALA 14 HA ALA 14 -17.616 -10.933 -5.949 117 HB1 ALA 14 3HB ALA 14 -17.222 -8.683 -6.322 118 HB2 ALA 14 1HB ALA 14 -15.971 -8.996 -7.526 119 HB3 ALA 14 2HB ALA 14 -17.669 -9.261 -7.926 120 H SER 15 H SER 15 -14.985 -11.883 -7.992 121 HA SER 15 HA SER 15 -16.276 -12.597 -10.335 122 HB2 SER 15 2HB SER 15 -13.728 -12.801 -9.461 123 HB3 SER 15 3HB SER 15 -14.216 -14.492 -9.357 124 HG SER 15 HG SER 15 -14.874 -14.326 -11.565 125 H HIS 16 H HIS 16 -15.804 -14.542 -7.398 126 HA HIS 16 HA HIS 16 -17.434 -16.690 -8.451 127 HB2 HIS 16 2HB HIS 16 -16.908 -17.864 -6.412 128 HB3 HIS 16 3HB HIS 16 -15.433 -17.115 -7.018 129 HD1 HIS 16 HD1 HIS 16 -18.058 -16.634 -4.338 130 HD2 HIS 16 HD2 HIS 16 -14.200 -15.405 -5.268 131 HE1 HIS 16 HE1 HIS 16 -17.241 -15.394 -2.310 132 H LYS 17 H LYS 17 -17.740 -14.024 -6.206 133 HA LYS 17 HA LYS 17 -20.050 -14.771 -4.845 134 HB2 LYS 17 2HB LYS 17 -18.571 -12.778 -4.374 135 HB3 LYS 17 3HB LYS 17 -19.376 -11.955 -5.704 136 HG2 LYS 17 2HG LYS 17 -21.161 -11.470 -4.463 137 HG3 LYS 17 3HG LYS 17 -21.242 -13.097 -3.784 138 HD2 LYS 17 2HD LYS 17 -19.165 -11.120 -2.890 139 HD3 LYS 17 3HD LYS 17 -20.781 -11.146 -2.182 140 HE2 LYS 17 2HE LYS 17 -20.488 -13.351 -1.371 141 HE3 LYS 17 3HE LYS 17 -19.036 -13.591 -2.341 142 HZ1 LYS 17 3HZ LYS 17 -18.930 -11.379 -0.471 143 HZ2 LYS 17 1HZ LYS 17 -17.759 -12.543 -0.843 144 HZ3 LYS 17 2HZ LYS 17 -19.008 -12.913 0.236 145 H LYS 18 H LYS 18 -19.765 -12.822 -7.815 146 HA LYS 18 HA LYS 18 -22.406 -13.785 -8.629 147 HB2 LYS 18 2HB LYS 18 -21.781 -11.070 -7.824 148 HB3 LYS 18 3HB LYS 18 -22.346 -11.125 -9.489 149 HG2 LYS 18 2HG LYS 18 -23.966 -12.755 -7.713 150 HG3 LYS 18 3HG LYS 18 -23.919 -11.058 -7.231 151 HD2 LYS 18 2HD LYS 18 -24.241 -11.336 -10.092 152 HD3 LYS 18 3HD LYS 18 -25.510 -12.192 -9.214 153 HE2 LYS 18 2HE LYS 18 -24.825 -9.465 -8.283 154 HE3 LYS 18 3HE LYS 18 -25.664 -9.596 -9.828 155 HZ1 LYS 18 3HZ LYS 18 -26.647 -10.975 -7.405 156 HZ2 LYS 18 1HZ LYS 18 -27.490 -10.619 -8.827 157 HZ3 LYS 18 2HZ LYS 18 -27.080 -9.378 -7.755 158 H LYS 19 H LYS 19 -22.415 -14.432 -10.683 159 HA LYS 19 HA LYS 19 -20.770 -13.136 -12.677 160 HB2 LYS 19 2HB LYS 19 -19.261 -14.823 -11.621 161 HB3 LYS 19 3HB LYS 19 -20.386 -16.081 -12.115 162 HG2 LYS 19 2HG LYS 19 -19.929 -14.760 -14.465 163 HG3 LYS 19 3HG LYS 19 -18.362 -14.658 -13.660 164 HD2 LYS 19 2HD LYS 19 -18.231 -17.027 -13.447 165 HD3 LYS 19 3HD LYS 19 -19.910 -17.227 -13.955 166 HE2 LYS 19 2HE LYS 19 -19.085 -17.577 -16.001 167 HE3 LYS 19 3HE LYS 19 -18.794 -15.840 -16.048 168 HZ1 LYS 19 3HZ LYS 19 -16.665 -16.353 -16.323 169 HZ2 LYS 19 1HZ LYS 19 -16.917 -17.985 -15.954 170 HZ3 LYS 19 2HZ LYS 19 -16.639 -16.870 -14.713 171 H THR 20 H THR 20 -21.877 -13.035 -14.516 172 HA THR 20 HA THR 20 -23.574 -13.316 -16.017 173 HB THR 20 HB THR 20 -23.765 -15.462 -17.001 174 HG1 THR 20 HG1 THR 20 -23.891 -17.187 -15.791 175 HG21 THR 20 1HG2 THR 20 -21.347 -14.314 -16.633 176 HG22 THR 20 2HG2 THR 20 -21.606 -15.762 -17.607 177 HG23 THR 20 3HG2 THR 20 -21.049 -15.907 -15.940 178 H GLY 21 H GLY 21 -24.543 -12.757 -13.489 179 HA2 GLY 21 2HA GLY 21 -26.741 -14.637 -13.020 180 HA3 GLY 21 3HA GLY 21 -26.258 -13.324 -11.956 181 H GLY 22 H GLY 22 -26.467 -11.078 -13.120 182 HA2 GLY 22 2HA GLY 22 -28.364 -10.652 -15.121 183 HA3 GLY 22 3HA GLY 22 -29.227 -10.684 -13.591 184 H TYR 23 H TYR 23 -29.819 -8.514 -13.738 185 HA TYR 23 HA TYR 23 -27.609 -6.629 -13.257 186 HB2 TYR 23 2HB TYR 23 -30.130 -6.010 -14.808 187 HB3 TYR 23 3HB TYR 23 -28.779 -4.919 -14.522 188 HD1 TYR 23 HD2 TYR 23 -29.789 -8.022 -16.270 189 HD2 TYR 23 HD1 TYR 23 -26.875 -4.941 -15.928 190 HE1 TYR 23 HE2 TYR 23 -28.729 -8.802 -18.348 191 HE2 TYR 23 HE1 TYR 23 -25.807 -5.713 -18.004 192 HH TYR 23 HH TYR 23 -26.594 -8.698 -19.477 193 HA PRO 24 HA PRO 24 -29.740 -5.323 -9.650 194 HB2 PRO 24 2HB PRO 24 -29.119 -2.682 -9.577 195 HB3 PRO 24 3HB PRO 24 -27.945 -3.954 -9.222 196 HG2 PRO 24 2HG PRO 24 -28.355 -2.408 -11.752 197 HG3 PRO 24 3HG PRO 24 -26.840 -2.852 -10.946 198 HD2 PRO 24 2HD PRO 24 -27.803 -4.204 -13.085 199 HD3 PRO 24 3HD PRO 24 -26.868 -4.994 -11.798 200 H TRP 25 H TRP 25 -30.349 -3.596 -12.639 201 HA TRP 25 HA TRP 25 -32.977 -2.775 -11.589 202 HB2 TRP 25 2HB TRP 25 -32.871 -0.806 -12.763 203 HB3 TRP 25 3HB TRP 25 -31.151 -1.060 -12.478 204 HD1 TRP 25 HD1 TRP 25 -33.643 -0.621 -15.224 205 HE1 TRP 25 HE1 TRP 25 -32.484 -0.865 -17.510 206 HE3 TRP 25 HE3 TRP 25 -29.153 -2.502 -13.661 207 HZ2 TRP 25 HZ2 TRP 25 -29.995 -1.739 -18.516 208 HZ3 TRP 25 HZ3 TRP 25 -27.438 -3.016 -15.350 209 HH2 TRP 25 HH2 TRP 25 -27.853 -2.642 -17.726 210 H GLU 26 H GLU 26 -31.250 -4.375 -14.163 211 HA GLU 26 HA GLU 26 -33.762 -4.907 -15.579 212 HB2 GLU 26 2HB GLU 26 -31.013 -4.547 -16.398 213 HB3 GLU 26 3HB GLU 26 -31.641 -6.077 -16.993 214 HG2 GLU 26 2HG GLU 26 -33.647 -4.176 -17.465 215 HG3 GLU 26 3HG GLU 26 -32.126 -3.422 -17.941 216 H ARG 27 H ARG 27 -34.598 -6.436 -14.110 217 HA ARG 27 HA ARG 27 -33.217 -8.702 -13.189 218 HB2 ARG 27 2HB ARG 27 -35.471 -9.629 -12.723 219 HB3 ARG 27 3HB ARG 27 -35.264 -7.988 -12.125 220 HG2 ARG 27 2HG ARG 27 -37.239 -7.619 -13.103 221 HG3 ARG 27 3HG ARG 27 -36.296 -7.524 -14.592 222 HD2 ARG 27 2HD ARG 27 -38.211 -9.002 -14.871 223 HD3 ARG 27 3HD ARG 27 -36.700 -9.903 -14.996 224 HE ARG 27 HE ARG 27 -37.349 -11.126 -13.187 225 HH11 ARG 27 1HH1 ARG 27 -39.142 -8.142 -13.209 226 HH12 ARG 27 2HH1 ARG 27 -40.142 -8.581 -11.863 227 HH21 ARG 27 1HH2 ARG 27 -38.659 -11.716 -11.415 228 HH22 ARG 27 2HH2 ARG 27 -39.865 -10.614 -10.843 229 H GLY 28 H GLY 28 -34.801 -8.012 -16.207 230 HA2 GLY 28 2HA GLY 28 -33.590 -9.870 -17.761 231 HA3 GLY 28 3HA GLY 28 -34.920 -10.772 -17.049 232 H LYS 29 H LYS 29 -35.885 -11.077 -19.080 233 HA LYS 29 HA LYS 29 -36.782 -8.704 -20.524 234 HB2 LYS 29 2HB LYS 29 -37.068 -11.636 -21.206 235 HB3 LYS 29 3HB LYS 29 -37.530 -10.296 -22.246 236 HG2 LYS 29 2HG LYS 29 -35.096 -9.560 -22.105 237 HG3 LYS 29 3HG LYS 29 -34.777 -11.158 -21.425 238 HD2 LYS 29 2HD LYS 29 -34.379 -11.424 -23.712 239 HD3 LYS 29 3HD LYS 29 -36.009 -12.062 -23.487 240 HE2 LYS 29 2HE LYS 29 -36.987 -10.062 -24.348 241 HE3 LYS 29 3HE LYS 29 -35.430 -9.235 -24.351 242 HZ1 LYS 29 3HZ LYS 29 -35.497 -11.677 -25.893 243 HZ2 LYS 29 1HZ LYS 29 -34.856 -10.162 -26.289 244 HZ3 LYS 29 2HZ LYS 29 -36.511 -10.458 -26.481 245 H ALA 30 H ALA 30 -38.142 -11.593 -18.972 246 HA ALA 30 HA ALA 30 -40.478 -10.133 -18.158 247 HB1 ALA 30 3HB ALA 30 -41.275 -10.555 -20.339 248 HB2 ALA 30 1HB ALA 30 -40.689 -12.218 -20.314 249 HB3 ALA 30 2HB ALA 30 -42.056 -11.749 -19.302 Start of MODEL 6 1 H1 MET 1 H MET 1 1.634 1.844 0.941 2 HA MET 1 HA MET 1 1.569 -0.560 -0.717 3 HB2 MET 1 2HB MET 1 0.854 -0.353 1.803 4 HB3 MET 1 3HB MET 1 -0.655 0.238 1.119 5 HG2 MET 1 2HG MET 1 -1.318 -1.815 0.637 6 HG3 MET 1 3HG MET 1 0.181 -2.157 -0.223 7 HE1 MET 1 3HE MET 1 1.200 -4.949 1.231 8 HE2 MET 1 1HE MET 1 1.566 -3.596 0.160 9 HE3 MET 1 2HE MET 1 2.451 -3.787 1.674 10 H LYS 2 H LYS 2 0.581 -0.589 -2.619 11 HA LYS 2 HA LYS 2 -0.659 1.632 -3.773 12 HB2 LYS 2 2HB LYS 2 -0.597 -1.288 -4.465 13 HB3 LYS 2 3HB LYS 2 -1.586 -0.176 -5.400 14 HG2 LYS 2 2HG LYS 2 1.014 0.947 -5.114 15 HG3 LYS 2 3HG LYS 2 1.169 -0.723 -5.666 16 HD2 LYS 2 2HD LYS 2 -0.849 1.050 -6.964 17 HD3 LYS 2 3HD LYS 2 0.856 1.242 -7.383 18 HE2 LYS 2 2HE LYS 2 -0.535 -1.423 -7.449 19 HE3 LYS 2 3HE LYS 2 -0.518 -0.332 -8.833 20 HZ1 LYS 2 3HZ LYS 2 2.025 -1.027 -7.545 21 HZ2 LYS 2 1HZ LYS 2 1.711 -0.630 -9.159 22 HZ3 LYS 2 2HZ LYS 2 1.297 -2.159 -8.570 23 H THR 3 H THR 3 -2.420 2.541 -2.901 24 HA THR 3 HA THR 3 -4.401 1.327 -1.400 25 HB THR 3 HB THR 3 -5.661 3.407 -2.855 26 HG1 THR 3 HG1 THR 3 -3.941 5.036 -2.364 27 HG21 THR 3 1HG2 THR 3 -6.020 4.235 -0.777 28 HG22 THR 3 2HG2 THR 3 -4.330 4.061 -0.302 29 HG23 THR 3 3HG2 THR 3 -5.404 2.662 -0.273 30 H ILE 4 H ILE 4 -3.994 1.422 -4.851 31 HA ILE 4 HA ILE 4 -6.612 0.820 -5.659 32 HB ILE 4 HB ILE 4 -5.634 -0.001 -7.740 33 HG12 ILE 4 2HG1 ILE 4 -2.889 0.494 -7.419 34 HG13 ILE 4 3HG1 ILE 4 -3.355 -0.476 -6.026 35 HG21 ILE 4 1HG2 ILE 4 -3.845 2.269 -7.274 36 HG22 ILE 4 2HG2 ILE 4 -5.156 2.075 -8.437 37 HG23 ILE 4 3HG2 ILE 4 -5.514 2.542 -6.775 38 HD11 ILE 4 3HD1 ILE 4 -4.458 -2.039 -7.706 39 HD12 ILE 4 1HD1 ILE 4 -3.541 -1.166 -8.934 40 HD13 ILE 4 2HD1 ILE 4 -2.696 -2.019 -7.642 41 H LEU 5 H LEU 5 -4.134 -1.142 -4.241 42 HA LEU 5 HA LEU 5 -4.901 -3.687 -5.075 43 HB2 LEU 5 2HB LEU 5 -3.805 -2.855 -2.392 44 HB3 LEU 5 3HB LEU 5 -3.832 -4.500 -3.024 45 HG LEU 5 HG LEU 5 -2.332 -2.261 -4.366 46 HD11 LEU 5 1HD1 LEU 5 -1.739 -3.176 -1.862 47 HD12 LEU 5 2HD1 LEU 5 -0.579 -2.490 -2.999 48 HD13 LEU 5 3HD1 LEU 5 -0.773 -4.239 -2.886 49 HD21 LEU 5 3HD2 LEU 5 -1.813 -5.212 -4.523 50 HD22 LEU 5 1HD2 LEU 5 -1.295 -3.934 -5.624 51 HD23 LEU 5 2HD2 LEU 5 -2.989 -4.422 -5.575 52 H ARG 6 H ARG 6 -6.050 -1.759 -2.326 53 HA ARG 6 HA ARG 6 -7.731 -3.631 -1.154 54 HB2 ARG 6 2HB ARG 6 -7.924 -0.626 -1.328 55 HB3 ARG 6 3HB ARG 6 -9.048 -1.593 -0.382 56 HG2 ARG 6 2HG ARG 6 -7.107 -2.489 0.890 57 HG3 ARG 6 3HG ARG 6 -6.075 -1.355 0.016 58 HD2 ARG 6 2HD ARG 6 -6.537 0.136 1.603 59 HD3 ARG 6 3HD ARG 6 -8.178 0.196 0.960 60 HE ARG 6 HE ARG 6 -8.881 -0.854 2.853 61 HH11 ARG 6 1HH1 ARG 6 -5.495 -1.532 2.413 62 HH12 ARG 6 2HH1 ARG 6 -5.340 -2.398 3.905 63 HH21 ARG 6 1HH2 ARG 6 -8.690 -1.993 4.820 64 HH22 ARG 6 2HH2 ARG 6 -7.159 -2.661 5.273 65 H PHE 7 H PHE 7 -8.183 -1.681 -4.012 66 HA PHE 7 HA PHE 7 -10.996 -2.131 -4.238 67 HB2 PHE 7 2HB PHE 7 -8.956 -1.214 -6.275 68 HB3 PHE 7 3HB PHE 7 -10.696 -1.236 -6.547 69 HD1 PHE 7 HD2 PHE 7 -8.052 0.231 -4.407 70 HD2 PHE 7 HD1 PHE 7 -12.039 0.546 -5.863 71 HE1 PHE 7 HE2 PHE 7 -8.229 2.480 -3.425 72 HE2 PHE 7 HE1 PHE 7 -12.223 2.796 -4.883 73 HZ PHE 7 HZ PHE 7 -10.317 3.765 -3.662 74 H VAL 8 H VAL 8 -8.259 -3.309 -6.203 75 HA VAL 8 HA VAL 8 -9.691 -5.209 -7.659 76 HB VAL 8 HB VAL 8 -7.368 -4.424 -8.171 77 HG11 VAL 8 1HG1 VAL 8 -6.412 -4.638 -5.943 78 HG12 VAL 8 2HG1 VAL 8 -6.614 -6.390 -6.010 79 HG13 VAL 8 3HG1 VAL 8 -5.491 -5.587 -7.109 80 HG21 VAL 8 3HG2 VAL 8 -7.603 -7.426 -8.042 81 HG22 VAL 8 1HG2 VAL 8 -8.450 -6.422 -9.220 82 HG23 VAL 8 2HG2 VAL 8 -6.686 -6.468 -9.205 83 H ALA 9 H ALA 9 -8.348 -5.346 -4.444 84 HA ALA 9 HA ALA 9 -8.247 -8.096 -4.028 85 HB1 ALA 9 3HB ALA 9 -8.633 -5.747 -2.229 86 HB2 ALA 9 1HB ALA 9 -8.817 -7.378 -1.582 87 HB3 ALA 9 2HB ALA 9 -7.291 -6.888 -2.320 88 H GLY 10 H GLY 10 -10.970 -5.981 -4.314 89 HA2 GLY 10 2HA GLY 10 -12.812 -7.871 -3.091 90 HA3 GLY 10 3HA GLY 10 -13.225 -6.310 -3.784 91 H TYR 11 H TYR 11 -12.007 -6.696 -6.323 92 HA TYR 11 HA TYR 11 -14.084 -7.813 -7.768 93 HB2 TYR 11 2HB TYR 11 -12.521 -6.325 -8.834 94 HB3 TYR 11 3HB TYR 11 -11.186 -7.432 -8.535 95 HD1 TYR 11 HD1 TYR 11 -14.588 -8.171 -9.855 96 HD2 TYR 11 HD2 TYR 11 -10.414 -7.996 -10.663 97 HE1 TYR 11 HE1 TYR 11 -14.974 -9.220 -12.046 98 HE2 TYR 11 HE2 TYR 11 -10.789 -9.042 -12.857 99 HH TYR 11 HH TYR 11 -12.420 -9.518 -14.415 100 H ASP 12 H ASP 12 -10.986 -9.290 -6.860 101 HA ASP 12 HA ASP 12 -11.312 -11.741 -8.141 102 HB2 ASP 12 2HB ASP 12 -9.267 -10.761 -6.867 103 HB3 ASP 12 3HB ASP 12 -9.979 -11.540 -5.456 104 H ILE 13 H ILE 13 -12.734 -10.518 -5.217 105 HA ILE 13 HA ILE 13 -13.675 -13.119 -4.355 106 HB ILE 13 HB ILE 13 -14.436 -10.410 -3.265 107 HG12 ILE 13 2HG1 ILE 13 -12.018 -10.689 -3.138 108 HG13 ILE 13 3HG1 ILE 13 -12.724 -10.837 -1.533 109 HG21 ILE 13 1HG2 ILE 13 -15.915 -11.637 -2.129 110 HG22 ILE 13 2HG2 ILE 13 -15.153 -13.152 -2.611 111 HG23 ILE 13 3HG2 ILE 13 -14.531 -12.254 -1.227 112 HD11 ILE 13 3HD1 ILE 13 -12.685 -13.430 -2.439 113 HD12 ILE 13 1HD1 ILE 13 -11.190 -12.750 -3.078 114 HD13 ILE 13 2HD1 ILE 13 -11.516 -12.690 -1.346 115 H ALA 14 H ALA 14 -14.922 -10.277 -5.988 116 HA ALA 14 HA ALA 14 -17.667 -11.041 -5.872 117 HB1 ALA 14 3HB ALA 14 -17.278 -8.750 -6.185 118 HB2 ALA 14 1HB ALA 14 -16.149 -9.034 -7.510 119 HB3 ALA 14 2HB ALA 14 -17.873 -9.320 -7.744 120 H SER 15 H SER 15 -15.006 -11.792 -7.974 121 HA SER 15 HA SER 15 -16.294 -12.538 -10.307 122 HB2 SER 15 2HB SER 15 -13.804 -12.463 -9.914 123 HB3 SER 15 3HB SER 15 -13.951 -14.018 -9.096 124 HG SER 15 HG SER 15 -13.478 -14.499 -11.181 125 H HIS 16 H HIS 16 -15.997 -14.265 -7.267 126 HA HIS 16 HA HIS 16 -17.131 -16.702 -8.303 127 HB2 HIS 16 2HB HIS 16 -16.498 -15.782 -5.496 128 HB3 HIS 16 3HB HIS 16 -17.168 -17.367 -5.872 129 HD1 HIS 16 HD1 HIS 16 -15.598 -18.835 -7.572 130 HD2 HIS 16 HD2 HIS 16 -13.789 -15.695 -5.541 131 HE1 HIS 16 HE1 HIS 16 -13.128 -19.293 -7.689 132 H LYS 17 H LYS 17 -18.250 -13.909 -6.483 133 HA LYS 17 HA LYS 17 -20.717 -14.790 -5.611 134 HB2 LYS 17 2HB LYS 17 -19.809 -12.613 -4.998 135 HB3 LYS 17 3HB LYS 17 -19.969 -12.054 -6.658 136 HG2 LYS 17 2HG LYS 17 -22.347 -12.102 -6.526 137 HG3 LYS 17 3HG LYS 17 -22.298 -12.916 -4.960 138 HD2 LYS 17 2HD LYS 17 -22.576 -10.816 -4.173 139 HD3 LYS 17 3HD LYS 17 -20.828 -10.727 -4.402 140 HE2 LYS 17 2HE LYS 17 -21.191 -9.762 -6.634 141 HE3 LYS 17 3HE LYS 17 -22.932 -9.816 -6.363 142 HZ1 LYS 17 3HZ LYS 17 -22.253 -8.453 -4.241 143 HZ2 LYS 17 1HZ LYS 17 -22.491 -7.691 -5.733 144 HZ3 LYS 17 2HZ LYS 17 -20.923 -8.035 -5.200 145 H LYS 18 H LYS 18 -20.155 -12.957 -8.622 146 HA LYS 18 HA LYS 18 -21.823 -14.659 -10.175 147 HB2 LYS 18 2HB LYS 18 -23.375 -13.126 -8.684 148 HB3 LYS 18 3HB LYS 18 -23.003 -11.926 -9.916 149 HG2 LYS 18 2HG LYS 18 -24.393 -12.856 -11.380 150 HG3 LYS 18 3HG LYS 18 -23.774 -14.478 -11.061 151 HD2 LYS 18 2HD LYS 18 -25.191 -14.675 -9.111 152 HD3 LYS 18 3HD LYS 18 -25.741 -13.010 -9.305 153 HE2 LYS 18 2HE LYS 18 -27.477 -14.145 -10.283 154 HE3 LYS 18 3HE LYS 18 -26.449 -13.856 -11.686 155 HZ1 LYS 18 3HZ LYS 18 -26.028 -16.322 -10.170 156 HZ2 LYS 18 1HZ LYS 18 -25.871 -16.034 -11.830 157 HZ3 LYS 18 2HZ LYS 18 -27.406 -16.228 -11.146 158 H LYS 19 H LYS 19 -21.341 -14.436 -12.284 159 HA LYS 19 HA LYS 19 -19.273 -12.636 -13.056 160 HB2 LYS 19 2HB LYS 19 -19.787 -14.990 -13.974 161 HB3 LYS 19 3HB LYS 19 -20.993 -14.191 -14.975 162 HG2 LYS 19 2HG LYS 19 -18.467 -12.824 -15.146 163 HG3 LYS 19 3HG LYS 19 -18.285 -14.537 -15.534 164 HD2 LYS 19 2HD LYS 19 -19.451 -14.351 -17.450 165 HD3 LYS 19 3HD LYS 19 -20.635 -13.253 -16.736 166 HE2 LYS 19 2HE LYS 19 -19.602 -11.863 -18.246 167 HE3 LYS 19 3HE LYS 19 -18.647 -11.553 -16.797 168 HZ1 LYS 19 3HZ LYS 19 -17.767 -12.501 -19.277 169 HZ2 LYS 19 1HZ LYS 19 -17.517 -13.729 -18.141 170 HZ3 LYS 19 2HZ LYS 19 -16.851 -12.196 -17.888 171 H THR 20 H THR 20 -22.632 -12.330 -12.851 172 HA THR 20 HA THR 20 -22.520 -9.849 -14.416 173 HB THR 20 HB THR 20 -24.917 -10.346 -15.143 174 HG1 THR 20 HG1 THR 20 -25.520 -12.114 -14.025 175 HG21 THR 20 1HG2 THR 20 -22.397 -11.407 -16.204 176 HG22 THR 20 2HG2 THR 20 -23.670 -10.490 -17.010 177 HG23 THR 20 3HG2 THR 20 -23.836 -12.232 -16.802 178 H GLY 21 H GLY 21 -22.320 -8.866 -12.306 179 HA2 GLY 21 2HA GLY 21 -24.835 -8.026 -11.266 180 HA3 GLY 21 3HA GLY 21 -24.051 -9.152 -10.168 181 H GLY 22 H GLY 22 -22.868 -6.470 -12.203 182 HA2 GLY 22 2HA GLY 22 -22.196 -4.356 -11.272 183 HA3 GLY 22 3HA GLY 22 -21.880 -5.175 -9.749 184 H TYR 23 H TYR 23 -20.466 -3.831 -12.422 185 HA TYR 23 HA TYR 23 -18.043 -5.482 -12.141 186 HB2 TYR 23 2HB TYR 23 -18.792 -3.675 -14.447 187 HB3 TYR 23 3HB TYR 23 -17.407 -4.757 -14.369 188 HD1 TYR 23 HD1 TYR 23 -21.104 -4.648 -14.529 189 HD2 TYR 23 HD2 TYR 23 -17.612 -7.043 -14.948 190 HE1 TYR 23 HE1 TYR 23 -22.461 -6.442 -15.524 191 HE2 TYR 23 HE2 TYR 23 -18.960 -8.844 -15.945 192 HH TYR 23 HH TYR 23 -22.321 -8.378 -16.777 193 HA PRO 24 HA PRO 24 -15.794 -2.102 -10.475 194 HB2 PRO 24 2HB PRO 24 -13.337 -2.495 -11.560 195 HB3 PRO 24 3HB PRO 24 -14.004 -3.531 -10.292 196 HG2 PRO 24 2HG PRO 24 -13.898 -3.986 -13.249 197 HG3 PRO 24 3HG PRO 24 -13.569 -5.124 -11.929 198 HD2 PRO 24 2HD PRO 24 -15.919 -5.094 -13.273 199 HD3 PRO 24 3HD PRO 24 -15.806 -5.537 -11.557 200 H TRP 25 H TRP 25 -15.786 -2.532 -13.954 201 HA TRP 25 HA TRP 25 -15.217 0.342 -14.272 202 HB2 TRP 25 2HB TRP 25 -14.021 -0.070 -16.186 203 HB3 TRP 25 3HB TRP 25 -13.711 -1.577 -15.328 204 HD1 TRP 25 HD1 TRP 25 -15.144 -0.247 -18.509 205 HE1 TRP 25 HE1 TRP 25 -16.110 -2.176 -19.913 206 HE3 TRP 25 HE3 TRP 25 -15.021 -3.952 -14.989 207 HZ2 TRP 25 HZ2 TRP 25 -16.738 -4.907 -19.573 208 HZ3 TRP 25 HZ3 TRP 25 -15.824 -6.194 -15.609 209 HH2 TRP 25 HH2 TRP 25 -16.663 -6.659 -17.853 210 H GLU 26 H GLU 26 -17.351 -2.301 -15.066 211 HA GLU 26 HA GLU 26 -19.030 -0.520 -16.683 212 HB2 GLU 26 2HB GLU 26 -18.446 -3.352 -16.732 213 HB3 GLU 26 3HB GLU 26 -20.180 -3.078 -16.631 214 HG2 GLU 26 2HG GLU 26 -19.212 -1.278 -18.552 215 HG3 GLU 26 3HG GLU 26 -18.432 -2.825 -18.878 216 H ARG 27 H ARG 27 -19.884 0.706 -14.961 217 HA ARG 27 HA ARG 27 -22.080 -0.631 -13.581 218 HB2 ARG 27 2HB ARG 27 -19.797 -0.285 -12.195 219 HB3 ARG 27 3HB ARG 27 -20.544 1.282 -11.917 220 HG2 ARG 27 2HG ARG 27 -22.108 -1.221 -11.464 221 HG3 ARG 27 3HG ARG 27 -20.959 -0.654 -10.250 222 HD2 ARG 27 2HD ARG 27 -23.278 0.912 -11.378 223 HD3 ARG 27 3HD ARG 27 -23.210 0.164 -9.784 224 HE ARG 27 HE ARG 27 -22.055 2.659 -10.563 225 HH11 ARG 27 1HH1 ARG 27 -21.716 -0.053 -8.408 226 HH12 ARG 27 2HH1 ARG 27 -20.845 0.842 -7.208 227 HH21 ARG 27 1HH2 ARG 27 -20.908 3.849 -8.992 228 HH22 ARG 27 2HH2 ARG 27 -20.385 3.062 -7.541 229 H GLY 28 H GLY 28 -23.808 0.471 -14.227 230 HA2 GLY 28 2HA GLY 28 -25.202 2.391 -14.048 231 HA3 GLY 28 3HA GLY 28 -23.762 3.397 -13.993 232 H LYS 29 H LYS 29 -25.734 1.376 -16.120 233 HA LYS 29 HA LYS 29 -24.465 2.286 -18.517 234 HB2 LYS 29 2HB LYS 29 -26.317 1.131 -19.667 235 HB3 LYS 29 3HB LYS 29 -25.550 0.111 -18.456 236 HG2 LYS 29 2HG LYS 29 -27.665 1.457 -17.170 237 HG3 LYS 29 3HG LYS 29 -28.289 0.855 -18.707 238 HD2 LYS 29 2HD LYS 29 -27.078 -1.348 -18.022 239 HD3 LYS 29 3HD LYS 29 -27.144 -0.663 -16.397 240 HE2 LYS 29 2HE LYS 29 -29.688 -0.393 -17.716 241 HE3 LYS 29 3HE LYS 29 -29.156 -2.073 -17.741 242 HZ1 LYS 29 3HZ LYS 29 -29.698 -2.261 -15.618 243 HZ2 LYS 29 1HZ LYS 29 -30.282 -0.674 -15.618 244 HZ3 LYS 29 2HZ LYS 29 -28.675 -0.983 -15.192 245 H ALA 30 H ALA 30 -27.111 3.375 -16.549 246 HA ALA 30 HA ALA 30 -28.156 5.158 -18.579 247 HB1 ALA 30 3HB ALA 30 -29.986 4.863 -17.354 248 HB2 ALA 30 1HB ALA 30 -29.059 4.118 -16.051 249 HB3 ALA 30 2HB ALA 30 -29.249 5.870 -16.109 Start of MODEL 7 1 H1 MET 1 H MET 1 2.291 2.015 0.210 2 HA MET 1 HA MET 1 1.302 -0.662 -0.500 3 HB2 MET 1 2HB MET 1 0.916 1.041 1.791 4 HB3 MET 1 3HB MET 1 -0.634 0.682 1.041 5 HG2 MET 1 2HG MET 1 0.827 -1.731 1.147 6 HG3 MET 1 3HG MET 1 0.969 -0.956 2.723 7 HE1 MET 1 3HE MET 1 -2.348 -3.428 1.207 8 HE2 MET 1 1HE MET 1 -1.979 -2.157 0.042 9 HE3 MET 1 2HE MET 1 -0.696 -3.217 0.625 10 H LYS 2 H LYS 2 0.472 -0.611 -2.497 11 HA LYS 2 HA LYS 2 -0.681 1.676 -3.703 12 HB2 LYS 2 2HB LYS 2 -0.598 -1.243 -4.400 13 HB3 LYS 2 3HB LYS 2 -1.586 -0.133 -5.340 14 HG2 LYS 2 2HG LYS 2 0.593 1.256 -5.527 15 HG3 LYS 2 3HG LYS 2 1.386 -0.254 -5.070 16 HD2 LYS 2 2HD LYS 2 -0.419 -1.014 -7.030 17 HD3 LYS 2 3HD LYS 2 0.203 0.536 -7.604 18 HE2 LYS 2 2HE LYS 2 1.834 -1.873 -6.806 19 HE3 LYS 2 3HE LYS 2 1.568 -1.283 -8.446 20 HZ1 LYS 2 3HZ LYS 2 3.314 0.032 -8.208 21 HZ2 LYS 2 1HZ LYS 2 3.552 -0.514 -6.624 22 HZ3 LYS 2 2HZ LYS 2 2.569 0.829 -6.916 23 H THR 3 H THR 3 -2.452 2.573 -2.839 24 HA THR 3 HA THR 3 -4.436 1.343 -1.354 25 HB THR 3 HB THR 3 -5.689 3.426 -2.824 26 HG1 THR 3 HG1 THR 3 -3.916 5.025 -2.171 27 HG21 THR 3 1HG2 THR 3 -4.598 3.036 -0.070 28 HG22 THR 3 2HG2 THR 3 -6.263 3.284 -0.595 29 HG23 THR 3 3HG2 THR 3 -5.137 4.640 -0.563 30 H ILE 4 H ILE 4 -4.007 1.452 -4.803 31 HA ILE 4 HA ILE 4 -6.617 0.836 -5.629 32 HB ILE 4 HB ILE 4 -5.620 0.025 -7.705 33 HG12 ILE 4 2HG1 ILE 4 -2.880 0.536 -7.365 34 HG13 ILE 4 3HG1 ILE 4 -3.350 -0.439 -5.977 35 HG21 ILE 4 1HG2 ILE 4 -4.180 2.470 -6.687 36 HG22 ILE 4 2HG2 ILE 4 -4.499 2.059 -8.372 37 HG23 ILE 4 3HG2 ILE 4 -5.837 2.448 -7.290 38 HD11 ILE 4 3HD1 ILE 4 -4.433 -2.006 -7.669 39 HD12 ILE 4 1HD1 ILE 4 -3.512 -1.125 -8.886 40 HD13 ILE 4 2HD1 ILE 4 -2.671 -1.977 -7.590 41 H LEU 5 H LEU 5 -4.137 -1.116 -4.200 42 HA LEU 5 HA LEU 5 -4.886 -3.663 -5.045 43 HB2 LEU 5 2HB LEU 5 -3.812 -2.832 -2.353 44 HB3 LEU 5 3HB LEU 5 -3.826 -4.476 -2.989 45 HG LEU 5 HG LEU 5 -2.329 -2.225 -4.314 46 HD11 LEU 5 1HD1 LEU 5 -1.746 -3.125 -1.812 47 HD12 LEU 5 2HD1 LEU 5 -0.573 -2.463 -2.949 48 HD13 LEU 5 3HD1 LEU 5 -0.784 -4.208 -2.818 49 HD21 LEU 5 3HD2 LEU 5 -2.967 -4.385 -5.538 50 HD22 LEU 5 1HD2 LEU 5 -1.797 -5.173 -4.479 51 HD23 LEU 5 2HD2 LEU 5 -1.273 -3.890 -5.570 52 H ARG 6 H ARG 6 -6.063 -1.748 -2.300 53 HA ARG 6 HA ARG 6 -7.742 -3.630 -1.142 54 HB2 ARG 6 2HB ARG 6 -8.156 -0.642 -1.341 55 HB3 ARG 6 3HB ARG 6 -8.987 -1.712 -0.219 56 HG2 ARG 6 2HG ARG 6 -6.413 -2.299 0.352 57 HG3 ARG 6 3HG ARG 6 -6.270 -0.604 -0.119 58 HD2 ARG 6 2HD ARG 6 -8.361 -1.527 1.825 59 HD3 ARG 6 3HD ARG 6 -6.722 -1.142 2.350 60 HE ARG 6 HE ARG 6 -8.776 0.707 1.671 61 HH11 ARG 6 1HH1 ARG 6 -5.332 0.210 1.574 62 HH12 ARG 6 2HH1 ARG 6 -4.954 1.900 1.599 63 HH21 ARG 6 1HH2 ARG 6 -8.293 2.936 1.705 64 HH22 ARG 6 2HH2 ARG 6 -6.640 3.451 1.675 65 H PHE 7 H PHE 7 -8.185 -1.676 -4.000 66 HA PHE 7 HA PHE 7 -10.995 -2.139 -4.245 67 HB2 PHE 7 2HB PHE 7 -8.947 -1.207 -6.266 68 HB3 PHE 7 3HB PHE 7 -10.684 -1.238 -6.549 69 HD1 PHE 7 HD2 PHE 7 -8.061 0.238 -4.388 70 HD2 PHE 7 HD1 PHE 7 -12.040 0.536 -5.870 71 HE1 PHE 7 HE2 PHE 7 -8.256 2.482 -3.401 72 HE2 PHE 7 HE1 PHE 7 -12.240 2.783 -4.886 73 HZ PHE 7 HZ PHE 7 -10.347 3.758 -3.649 74 H VAL 8 H VAL 8 -8.239 -3.299 -6.195 75 HA VAL 8 HA VAL 8 -9.651 -5.202 -7.664 76 HB VAL 8 HB VAL 8 -7.330 -4.405 -8.159 77 HG11 VAL 8 1HG1 VAL 8 -6.387 -4.618 -5.925 78 HG12 VAL 8 2HG1 VAL 8 -6.579 -6.371 -5.997 79 HG13 VAL 8 3HG1 VAL 8 -5.454 -5.561 -7.087 80 HG21 VAL 8 3HG2 VAL 8 -6.524 -6.640 -8.960 81 HG22 VAL 8 1HG2 VAL 8 -7.869 -7.367 -8.082 82 HG23 VAL 8 2HG2 VAL 8 -8.184 -6.250 -9.409 83 H ALA 9 H ALA 9 -8.329 -5.341 -4.441 84 HA ALA 9 HA ALA 9 -8.218 -8.092 -4.031 85 HB1 ALA 9 3HB ALA 9 -8.519 -5.722 -2.277 86 HB2 ALA 9 1HB ALA 9 -8.893 -7.300 -1.585 87 HB3 ALA 9 2HB ALA 9 -7.295 -6.993 -2.270 88 H GLY 10 H GLY 10 -10.949 -5.989 -4.330 89 HA2 GLY 10 2HA GLY 10 -12.786 -7.902 -3.130 90 HA3 GLY 10 3HA GLY 10 -13.204 -6.330 -3.797 91 H TYR 11 H TYR 11 -11.912 -6.724 -6.334 92 HA TYR 11 HA TYR 11 -13.996 -7.774 -7.826 93 HB2 TYR 11 2HB TYR 11 -12.387 -6.323 -8.862 94 HB3 TYR 11 3HB TYR 11 -11.075 -7.449 -8.529 95 HD1 TYR 11 HD1 TYR 11 -14.465 -7.963 -10.014 96 HD2 TYR 11 HD2 TYR 11 -10.251 -8.205 -10.553 97 HE1 TYR 11 HE1 TYR 11 -14.812 -9.008 -12.214 98 HE2 TYR 11 HE2 TYR 11 -10.587 -9.250 -12.754 99 HH TYR 11 HH TYR 11 -13.512 -10.521 -13.758 100 H ASP 12 H ASP 12 -10.949 -9.335 -6.878 101 HA ASP 12 HA ASP 12 -11.326 -11.770 -8.179 102 HB2 ASP 12 2HB ASP 12 -9.310 -10.775 -6.759 103 HB3 ASP 12 3HB ASP 12 -10.030 -11.765 -5.493 104 H ILE 13 H ILE 13 -12.704 -10.538 -5.228 105 HA ILE 13 HA ILE 13 -13.724 -13.112 -4.390 106 HB ILE 13 HB ILE 13 -14.445 -10.390 -3.305 107 HG12 ILE 13 2HG1 ILE 13 -12.012 -10.762 -3.201 108 HG13 ILE 13 3HG1 ILE 13 -12.736 -10.776 -1.596 109 HG21 ILE 13 1HG2 ILE 13 -14.605 -13.111 -2.019 110 HG22 ILE 13 2HG2 ILE 13 -15.149 -11.581 -1.333 111 HG23 ILE 13 3HG2 ILE 13 -15.969 -12.257 -2.741 112 HD11 ILE 13 3HD1 ILE 13 -12.699 -13.433 -2.632 113 HD12 ILE 13 1HD1 ILE 13 -11.093 -12.720 -2.776 114 HD13 ILE 13 2HD1 ILE 13 -11.894 -12.779 -1.206 115 H ALA 14 H ALA 14 -14.871 -10.282 -6.096 116 HA ALA 14 HA ALA 14 -17.643 -10.943 -5.974 117 HB1 ALA 14 3HB ALA 14 -16.135 -8.756 -6.823 118 HB2 ALA 14 1HB ALA 14 -16.962 -9.339 -8.268 119 HB3 ALA 14 2HB ALA 14 -17.891 -8.909 -6.832 120 H SER 15 H SER 15 -14.997 -11.892 -7.999 121 HA SER 15 HA SER 15 -16.260 -12.645 -10.338 122 HB2 SER 15 2HB SER 15 -13.914 -12.802 -10.340 123 HB3 SER 15 3HB SER 15 -13.889 -13.779 -8.872 124 HG SER 15 HG SER 15 -14.044 -14.570 -11.448 125 H HIS 16 H HIS 16 -15.726 -14.644 -7.438 126 HA HIS 16 HA HIS 16 -17.388 -16.764 -8.465 127 HB2 HIS 16 2HB HIS 16 -16.900 -17.902 -6.372 128 HB3 HIS 16 3HB HIS 16 -15.416 -17.233 -7.046 129 HD1 HIS 16 HD1 HIS 16 -17.928 -16.588 -4.300 130 HD2 HIS 16 HD2 HIS 16 -14.083 -15.477 -5.412 131 HE1 HIS 16 HE1 HIS 16 -17.010 -15.299 -2.346 132 H LYS 17 H LYS 17 -17.733 -14.039 -6.322 133 HA LYS 17 HA LYS 17 -20.018 -14.773 -4.908 134 HB2 LYS 17 2HB LYS 17 -18.499 -12.678 -4.693 135 HB3 LYS 17 3HB LYS 17 -19.587 -11.962 -5.876 136 HG2 LYS 17 2HG LYS 17 -21.074 -11.502 -4.304 137 HG3 LYS 17 3HG LYS 17 -21.107 -13.187 -3.779 138 HD2 LYS 17 2HD LYS 17 -20.390 -12.117 -1.865 139 HD3 LYS 17 3HD LYS 17 -18.856 -12.572 -2.610 140 HE2 LYS 17 2HE LYS 17 -18.482 -10.363 -2.054 141 HE3 LYS 17 3HE LYS 17 -19.012 -10.232 -3.731 142 HZ1 LYS 17 3HZ LYS 17 -21.181 -9.599 -3.020 143 HZ2 LYS 17 1HZ LYS 17 -20.072 -8.617 -2.203 144 HZ3 LYS 17 2HZ LYS 17 -20.815 -9.904 -1.397 145 H LYS 18 H LYS 18 -19.781 -12.986 -7.979 146 HA LYS 18 HA LYS 18 -22.358 -14.081 -8.783 147 HB2 LYS 18 2HB LYS 18 -22.452 -11.684 -7.610 148 HB3 LYS 18 3HB LYS 18 -22.020 -11.159 -9.232 149 HG2 LYS 18 2HG LYS 18 -24.245 -11.119 -9.524 150 HG3 LYS 18 3HG LYS 18 -24.034 -12.849 -9.808 151 HD2 LYS 18 2HD LYS 18 -24.258 -12.317 -6.989 152 HD3 LYS 18 3HD LYS 18 -25.627 -11.615 -7.856 153 HE2 LYS 18 2HE LYS 18 -25.605 -13.970 -9.059 154 HE3 LYS 18 3HE LYS 18 -24.804 -14.461 -7.568 155 HZ1 LYS 18 3HZ LYS 18 -27.447 -13.117 -7.749 156 HZ2 LYS 18 1HZ LYS 18 -26.679 -13.590 -6.317 157 HZ3 LYS 18 2HZ LYS 18 -27.195 -14.758 -7.425 158 H LYS 19 H LYS 19 -21.927 -14.994 -10.674 159 HA LYS 19 HA LYS 19 -19.765 -14.127 -12.344 160 HB2 LYS 19 2HB LYS 19 -20.813 -16.520 -12.002 161 HB3 LYS 19 3HB LYS 19 -21.882 -16.011 -13.303 162 HG2 LYS 19 2HG LYS 19 -19.097 -15.470 -13.903 163 HG3 LYS 19 3HG LYS 19 -19.398 -17.179 -13.577 164 HD2 LYS 19 2HD LYS 19 -21.146 -15.599 -15.440 165 HD3 LYS 19 3HD LYS 19 -19.651 -16.356 -15.993 166 HE2 LYS 19 2HE LYS 19 -21.403 -18.110 -14.424 167 HE3 LYS 19 3HE LYS 19 -22.094 -17.562 -15.950 168 HZ1 LYS 19 3HZ LYS 19 -19.872 -19.360 -15.466 169 HZ2 LYS 19 1HZ LYS 19 -19.643 -18.255 -16.726 170 HZ3 LYS 19 2HZ LYS 19 -20.965 -19.311 -16.756 171 H THR 20 H THR 20 -22.997 -13.199 -11.997 172 HA THR 20 HA THR 20 -22.847 -11.676 -14.497 173 HB THR 20 HB THR 20 -24.243 -13.532 -15.106 174 HG1 THR 20 HG1 THR 20 -24.959 -11.375 -15.698 175 HG21 THR 20 1HG2 THR 20 -25.423 -14.646 -13.582 176 HG22 THR 20 2HG2 THR 20 -26.500 -13.259 -13.413 177 HG23 THR 20 3HG2 THR 20 -25.076 -13.401 -12.383 178 H GLY 21 H GLY 21 -23.135 -9.590 -14.079 179 HA2 GLY 21 2HA GLY 21 -24.943 -8.039 -13.182 180 HA3 GLY 21 3HA GLY 21 -24.644 -8.852 -11.653 181 H GLY 22 H GLY 22 -22.688 -7.320 -14.221 182 HA2 GLY 22 2HA GLY 22 -21.742 -5.092 -13.252 183 HA3 GLY 22 3HA GLY 22 -20.968 -6.195 -12.124 184 H TYR 23 H TYR 23 -19.638 -4.400 -13.903 185 HA TYR 23 HA TYR 23 -18.219 -6.349 -15.594 186 HB2 TYR 23 2HB TYR 23 -18.621 -3.419 -16.226 187 HB3 TYR 23 3HB TYR 23 -17.814 -4.611 -17.240 188 HD1 TYR 23 HD1 TYR 23 -21.093 -3.620 -15.836 189 HD2 TYR 23 HD2 TYR 23 -19.046 -5.998 -18.708 190 HE1 TYR 23 HE1 TYR 23 -23.235 -4.127 -16.932 191 HE2 TYR 23 HE2 TYR 23 -21.183 -6.512 -19.813 192 HH TYR 23 HH TYR 23 -23.371 -6.156 -19.845 193 HA PRO 24 HA PRO 24 -14.499 -5.204 -13.568 194 HB2 PRO 24 2HB PRO 24 -12.695 -5.406 -15.585 195 HB3 PRO 24 3HB PRO 24 -13.450 -6.814 -14.827 196 HG2 PRO 24 2HG PRO 24 -14.147 -5.444 -17.396 197 HG3 PRO 24 3HG PRO 24 -14.047 -7.179 -17.044 198 HD2 PRO 24 2HD PRO 24 -16.402 -5.846 -17.141 199 HD3 PRO 24 3HD PRO 24 -16.131 -7.229 -16.059 200 H TRP 25 H TRP 25 -15.378 -3.484 -16.493 201 HA TRP 25 HA TRP 25 -13.767 -1.189 -15.587 202 HB2 TRP 25 2HB TRP 25 -13.262 -0.641 -17.756 203 HB3 TRP 25 3HB TRP 25 -13.424 -2.386 -17.935 204 HD1 TRP 25 HD1 TRP 25 -14.809 0.841 -19.205 205 HE1 TRP 25 HE1 TRP 25 -16.741 0.384 -20.843 206 HE3 TRP 25 HE3 TRP 25 -15.489 -4.142 -18.289 207 HZ2 TRP 25 HZ2 TRP 25 -18.343 -1.800 -21.640 208 HZ3 TRP 25 HZ3 TRP 25 -17.242 -5.341 -19.531 209 HH2 TRP 25 HH2 TRP 25 -18.639 -4.193 -21.171 210 H GLU 26 H GLU 26 -16.905 -2.304 -16.625 211 HA GLU 26 HA GLU 26 -18.005 0.402 -16.360 212 HB2 GLU 26 2HB GLU 26 -18.649 -1.895 -17.993 213 HB3 GLU 26 3HB GLU 26 -20.060 -1.362 -17.089 214 HG2 GLU 26 2HG GLU 26 -18.862 0.960 -18.109 215 HG3 GLU 26 3HG GLU 26 -18.857 -0.219 -19.418 216 H ARG 27 H ARG 27 -17.914 0.524 -14.085 217 HA ARG 27 HA ARG 27 -19.644 -1.348 -12.626 218 HB2 ARG 27 2HB ARG 27 -17.402 -1.166 -11.720 219 HB3 ARG 27 3HB ARG 27 -17.543 0.586 -11.637 220 HG2 ARG 27 2HG ARG 27 -19.691 -0.666 -10.193 221 HG3 ARG 27 3HG ARG 27 -18.127 -1.263 -9.635 222 HD2 ARG 27 2HD ARG 27 -17.460 0.788 -8.875 223 HD3 ARG 27 3HD ARG 27 -18.442 1.662 -10.051 224 HE ARG 27 HE ARG 27 -20.160 0.352 -8.279 225 HH11 ARG 27 1HH1 ARG 27 -17.817 2.927 -8.274 226 HH12 ARG 27 2HH1 ARG 27 -18.578 3.794 -6.982 227 HH21 ARG 27 1HH2 ARG 27 -21.173 1.484 -6.576 228 HH22 ARG 27 2HH2 ARG 27 -20.487 2.971 -6.017 229 H GLY 28 H GLY 28 -19.282 1.975 -13.577 230 HA2 GLY 28 2HA GLY 28 -21.658 2.984 -13.631 231 HA3 GLY 28 3HA GLY 28 -21.568 2.746 -11.892 232 H LYS 29 H LYS 29 -18.588 3.387 -12.125 233 HA LYS 29 HA LYS 29 -18.688 6.031 -11.280 234 HB2 LYS 29 2HB LYS 29 -16.280 6.051 -11.487 235 HB3 LYS 29 3HB LYS 29 -16.792 4.480 -10.886 236 HG2 LYS 29 2HG LYS 29 -15.390 3.706 -12.452 237 HG3 LYS 29 3HG LYS 29 -16.750 3.995 -13.539 238 HD2 LYS 29 2HD LYS 29 -15.787 6.339 -13.843 239 HD3 LYS 29 3HD LYS 29 -14.328 5.714 -13.071 240 HE2 LYS 29 2HE LYS 29 -13.849 4.297 -14.825 241 HE3 LYS 29 3HE LYS 29 -15.526 4.226 -15.364 242 HZ1 LYS 29 3HZ LYS 29 -13.444 6.077 -16.088 243 HZ2 LYS 29 1HZ LYS 29 -14.905 6.832 -15.690 244 HZ3 LYS 29 2HZ LYS 29 -14.862 5.667 -16.914 245 H ALA 30 H ALA 30 -18.332 4.701 -14.505 246 HA ALA 30 HA ALA 30 -17.521 7.042 -15.835 247 HB1 ALA 30 3HB ALA 30 -19.264 5.018 -17.172 248 HB2 ALA 30 1HB ALA 30 -17.871 5.895 -17.805 249 HB3 ALA 30 2HB ALA 30 -17.636 4.576 -16.656 Start of MODEL 8 1 H1 MET 1 H MET 1 0.230 -0.877 0.044 2 HA MET 1 HA MET 1 2.415 1.052 -0.367 3 HB2 MET 1 2HB MET 1 2.145 -1.743 -1.393 4 HB3 MET 1 3HB MET 1 2.938 -0.542 -2.402 5 HG2 MET 1 2HG MET 1 4.812 -0.748 -1.255 6 HG3 MET 1 3HG MET 1 3.976 -0.375 0.250 7 HE1 MET 1 3HE MET 1 3.614 -3.846 -2.087 8 HE2 MET 1 1HE MET 1 5.052 -2.847 -2.295 9 HE3 MET 1 2HE MET 1 5.169 -4.397 -1.463 10 H LYS 2 H LYS 2 -0.113 -0.803 -2.063 11 HA LYS 2 HA LYS 2 -0.660 1.607 -3.671 12 HB2 LYS 2 2HB LYS 2 -0.608 -1.294 -4.443 13 HB3 LYS 2 3HB LYS 2 -1.599 -0.154 -5.343 14 HG2 LYS 2 2HG LYS 2 1.101 0.824 -4.959 15 HG3 LYS 2 3HG LYS 2 1.064 -0.736 -5.787 16 HD2 LYS 2 2HD LYS 2 -0.928 1.205 -6.732 17 HD3 LYS 2 3HD LYS 2 0.751 1.678 -7.006 18 HE2 LYS 2 2HE LYS 2 -0.330 -1.027 -7.758 19 HE3 LYS 2 3HE LYS 2 -0.361 0.352 -8.855 20 HZ1 LYS 2 3HZ LYS 2 1.987 0.455 -8.858 21 HZ2 LYS 2 1HZ LYS 2 1.587 -1.170 -9.104 22 HZ3 LYS 2 2HZ LYS 2 2.123 -0.651 -7.586 23 H THR 3 H THR 3 -2.415 2.496 -2.766 24 HA THR 3 HA THR 3 -4.392 1.246 -1.290 25 HB THR 3 HB THR 3 -5.606 3.392 -2.738 26 HG1 THR 3 HG1 THR 3 -3.101 4.147 -1.643 27 HG21 THR 3 1HG2 THR 3 -5.551 4.484 -0.537 28 HG22 THR 3 2HG2 THR 3 -4.438 3.246 0.043 29 HG23 THR 3 3HG2 THR 3 -6.082 2.807 -0.418 30 H ILE 4 H ILE 4 -4.000 1.436 -4.740 31 HA ILE 4 HA ILE 4 -6.624 0.862 -5.553 32 HB ILE 4 HB ILE 4 -5.657 0.096 -7.660 33 HG12 ILE 4 2HG1 ILE 4 -2.908 0.578 -7.336 34 HG13 ILE 4 3HG1 ILE 4 -3.370 -0.430 -5.970 35 HG21 ILE 4 1HG2 ILE 4 -3.930 2.405 -6.930 36 HG22 ILE 4 2HG2 ILE 4 -4.954 2.162 -8.343 37 HG23 ILE 4 3HG2 ILE 4 -5.678 2.586 -6.793 38 HD11 ILE 4 3HD1 ILE 4 -4.485 -1.942 -7.690 39 HD12 ILE 4 1HD1 ILE 4 -3.568 -1.037 -8.894 40 HD13 ILE 4 2HD1 ILE 4 -2.724 -1.930 -7.628 41 H LEU 5 H LEU 5 -4.144 -1.144 -4.200 42 HA LEU 5 HA LEU 5 -4.921 -3.662 -5.101 43 HB2 LEU 5 2HB LEU 5 -3.812 -2.907 -2.401 44 HB3 LEU 5 3HB LEU 5 -3.847 -4.535 -3.077 45 HG LEU 5 HG LEU 5 -2.346 -2.265 -4.363 46 HD11 LEU 5 1HD1 LEU 5 -0.588 -2.537 -3.011 47 HD12 LEU 5 2HD1 LEU 5 -0.788 -4.287 -2.944 48 HD13 LEU 5 3HD1 LEU 5 -1.746 -3.251 -1.888 49 HD21 LEU 5 3HD2 LEU 5 -1.836 -5.211 -4.606 50 HD22 LEU 5 1HD2 LEU 5 -1.320 -3.905 -5.672 51 HD23 LEU 5 2HD2 LEU 5 -3.016 -4.391 -5.629 52 H ARG 6 H ARG 6 -6.055 -1.808 -2.297 53 HA ARG 6 HA ARG 6 -7.736 -3.708 -1.168 54 HB2 ARG 6 2HB ARG 6 -7.867 -0.701 -1.246 55 HB3 ARG 6 3HB ARG 6 -9.061 -1.656 -0.378 56 HG2 ARG 6 2HG ARG 6 -6.775 -2.713 0.600 57 HG3 ARG 6 3HG ARG 6 -6.269 -1.051 0.295 58 HD2 ARG 6 2HD ARG 6 -7.153 -0.626 2.311 59 HD3 ARG 6 3HD ARG 6 -8.700 -0.682 1.468 60 HE ARG 6 HE ARG 6 -7.929 -3.276 2.295 61 HH11 ARG 6 1HH1 ARG 6 -9.163 -0.260 3.521 62 HH12 ARG 6 2HH1 ARG 6 -9.977 -0.989 4.865 63 HH21 ARG 6 1HH2 ARG 6 -8.996 -4.247 4.062 64 HH22 ARG 6 2HH2 ARG 6 -9.880 -3.257 5.173 65 H PHE 7 H PHE 7 -8.194 -1.678 -3.971 66 HA PHE 7 HA PHE 7 -11.009 -2.115 -4.197 67 HB2 PHE 7 2HB PHE 7 -8.976 -1.147 -6.216 68 HB3 PHE 7 3HB PHE 7 -10.716 -1.157 -6.482 69 HD1 PHE 7 HD2 PHE 7 -8.059 0.241 -4.312 70 HD2 PHE 7 HD1 PHE 7 -12.050 0.611 -5.744 71 HE1 PHE 7 HE2 PHE 7 -8.225 2.462 -3.266 72 HE2 PHE 7 HE1 PHE 7 -12.222 2.833 -4.701 73 HZ PHE 7 HZ PHE 7 -10.309 3.761 -3.459 74 H VAL 8 H VAL 8 -8.283 -3.246 -6.206 75 HA VAL 8 HA VAL 8 -9.726 -5.100 -7.706 76 HB VAL 8 HB VAL 8 -7.404 -4.307 -8.208 77 HG11 VAL 8 1HG1 VAL 8 -6.646 -6.331 -6.103 78 HG12 VAL 8 2HG1 VAL 8 -5.524 -5.501 -7.184 79 HG13 VAL 8 3HG1 VAL 8 -6.441 -4.584 -5.988 80 HG21 VAL 8 3HG2 VAL 8 -8.495 -6.278 -9.302 81 HG22 VAL 8 1HG2 VAL 8 -6.732 -6.322 -9.300 82 HG23 VAL 8 2HG2 VAL 8 -7.641 -7.312 -8.158 83 H ALA 9 H ALA 9 -8.370 -5.330 -4.503 84 HA ALA 9 HA ALA 9 -8.275 -8.090 -4.164 85 HB1 ALA 9 3HB ALA 9 -8.907 -7.368 -1.691 86 HB2 ALA 9 1HB ALA 9 -7.323 -7.029 -2.391 87 HB3 ALA 9 2HB ALA 9 -8.554 -5.766 -2.341 88 H GLY 10 H GLY 10 -10.993 -5.962 -4.380 89 HA2 GLY 10 2HA GLY 10 -12.838 -7.863 -3.189 90 HA3 GLY 10 3HA GLY 10 -13.248 -6.296 -3.869 91 H TYR 11 H TYR 11 -11.847 -6.838 -6.387 92 HA TYR 11 HA TYR 11 -13.977 -7.852 -7.880 93 HB2 TYR 11 2HB TYR 11 -12.326 -6.421 -8.908 94 HB3 TYR 11 3HB TYR 11 -11.049 -7.590 -8.588 95 HD1 TYR 11 HD2 TYR 11 -14.463 -7.922 -10.078 96 HD2 TYR 11 HD1 TYR 11 -10.269 -8.432 -10.591 97 HE1 TYR 11 HE2 TYR 11 -14.862 -8.951 -12.276 98 HE2 TYR 11 HE1 TYR 11 -10.658 -9.461 -12.791 99 HH TYR 11 HH TYR 11 -12.163 -10.065 -14.302 100 H ASP 12 H ASP 12 -10.913 -9.416 -6.971 101 HA ASP 12 HA ASP 12 -11.339 -11.871 -8.205 102 HB2 ASP 12 2HB ASP 12 -9.269 -10.894 -6.900 103 HB3 ASP 12 3HB ASP 12 -9.978 -11.766 -5.543 104 H ILE 13 H ILE 13 -12.666 -10.569 -5.266 105 HA ILE 13 HA ILE 13 -13.676 -13.122 -4.350 106 HB ILE 13 HB ILE 13 -14.324 -10.361 -3.314 107 HG12 ILE 13 2HG1 ILE 13 -11.924 -10.772 -3.172 108 HG13 ILE 13 3HG1 ILE 13 -12.644 -10.845 -1.566 109 HG21 ILE 13 1HG2 ILE 13 -14.594 -12.021 -1.211 110 HG22 ILE 13 2HG2 ILE 13 -15.921 -11.568 -2.278 111 HG23 ILE 13 3HG2 ILE 13 -15.077 -13.096 -2.523 112 HD11 ILE 13 3HD1 ILE 13 -11.032 -12.602 -1.807 113 HD12 ILE 13 1HD1 ILE 13 -12.647 -13.307 -1.725 114 HD13 ILE 13 2HD1 ILE 13 -11.819 -13.176 -3.278 115 H ALA 14 H ALA 14 -14.850 -10.307 -6.071 116 HA ALA 14 HA ALA 14 -17.619 -11.002 -5.901 117 HB1 ALA 14 3HB ALA 14 -16.209 -8.754 -6.653 118 HB2 ALA 14 1HB ALA 14 -16.907 -9.329 -8.168 119 HB3 ALA 14 2HB ALA 14 -17.952 -8.984 -6.790 120 H SER 15 H SER 15 -14.988 -11.848 -7.997 121 HA SER 15 HA SER 15 -16.349 -12.609 -10.303 122 HB2 SER 15 2HB SER 15 -13.804 -13.594 -9.030 123 HB3 SER 15 3HB SER 15 -14.402 -14.286 -10.537 124 HG SER 15 HG SER 15 -13.321 -12.669 -11.363 125 H HIS 16 H HIS 16 -15.965 -14.255 -7.237 126 HA HIS 16 HA HIS 16 -17.390 -16.598 -8.281 127 HB2 HIS 16 2HB HIS 16 -15.747 -16.143 -5.795 128 HB3 HIS 16 3HB HIS 16 -16.774 -17.561 -5.989 129 HD1 HIS 16 HD1 HIS 16 -14.459 -18.894 -5.820 130 HD2 HIS 16 HD2 HIS 16 -14.985 -16.584 -9.232 131 HE1 HIS 16 HE1 HIS 16 -12.744 -19.721 -7.463 132 H LYS 17 H LYS 17 -17.423 -14.503 -5.395 133 HA LYS 17 HA LYS 17 -19.836 -15.341 -4.325 134 HB2 LYS 17 2HB LYS 17 -18.333 -13.888 -3.098 135 HB3 LYS 17 3HB LYS 17 -18.576 -12.595 -4.264 136 HG2 LYS 17 2HG LYS 17 -20.546 -11.971 -3.368 137 HG3 LYS 17 3HG LYS 17 -21.011 -13.627 -2.968 138 HD2 LYS 17 2HD LYS 17 -18.736 -12.502 -1.455 139 HD3 LYS 17 3HD LYS 17 -20.318 -11.794 -1.126 140 HE2 LYS 17 2HE LYS 17 -19.839 -14.762 -1.118 141 HE3 LYS 17 3HE LYS 17 -19.620 -13.764 0.318 142 HZ1 LYS 17 3HZ LYS 17 -22.027 -12.982 -0.346 143 HZ2 LYS 17 1HZ LYS 17 -21.777 -14.372 0.586 144 HZ3 LYS 17 2HZ LYS 17 -22.082 -14.510 -1.072 145 H LYS 18 H LYS 18 -19.379 -12.372 -6.255 146 HA LYS 18 HA LYS 18 -20.758 -11.255 -7.677 147 HB2 LYS 18 2HB LYS 18 -20.807 -13.644 -8.673 148 HB3 LYS 18 3HB LYS 18 -22.414 -13.747 -7.965 149 HG2 LYS 18 2HG LYS 18 -23.072 -12.948 -9.951 150 HG3 LYS 18 3HG LYS 18 -22.602 -11.389 -9.269 151 HD2 LYS 18 2HD LYS 18 -21.327 -11.226 -11.115 152 HD3 LYS 18 3HD LYS 18 -20.223 -12.282 -10.232 153 HE2 LYS 18 2HE LYS 18 -21.736 -14.167 -11.288 154 HE3 LYS 18 3HE LYS 18 -22.077 -12.910 -12.477 155 HZ1 LYS 18 3HZ LYS 18 -19.728 -14.495 -12.144 156 HZ2 LYS 18 1HZ LYS 18 -19.362 -12.844 -12.161 157 HZ3 LYS 18 2HZ LYS 18 -20.201 -13.536 -13.455 158 H LYS 19 H LYS 19 -21.451 -10.074 -5.757 159 HA LYS 19 HA LYS 19 -23.854 -10.797 -4.395 160 HB2 LYS 19 2HB LYS 19 -21.939 -9.294 -3.559 161 HB3 LYS 19 3HB LYS 19 -22.699 -8.020 -4.503 162 HG2 LYS 19 2HG LYS 19 -24.615 -9.384 -2.822 163 HG3 LYS 19 3HG LYS 19 -23.273 -8.720 -1.887 164 HD2 LYS 19 2HD LYS 19 -24.665 -7.068 -3.966 165 HD3 LYS 19 3HD LYS 19 -25.336 -7.231 -2.341 166 HE2 LYS 19 2HE LYS 19 -23.001 -6.545 -1.527 167 HE3 LYS 19 3HE LYS 19 -22.722 -6.021 -3.186 168 HZ1 LYS 19 3HZ LYS 19 -24.609 -4.540 -3.013 169 HZ2 LYS 19 1HZ LYS 19 -23.503 -4.211 -1.775 170 HZ3 LYS 19 2HZ LYS 19 -24.923 -5.065 -1.436 171 H THR 20 H THR 20 -23.221 -9.410 -7.410 172 HA THR 20 HA THR 20 -26.044 -8.884 -7.817 173 HB THR 20 HB THR 20 -25.202 -6.645 -9.017 174 HG1 THR 20 HG1 THR 20 -23.033 -7.191 -7.966 175 HG21 THR 20 1HG2 THR 20 -26.717 -7.280 -6.782 176 HG22 THR 20 2HG2 THR 20 -26.606 -5.700 -7.557 177 HG23 THR 20 3HG2 THR 20 -25.559 -6.087 -6.191 178 H GLY 21 H GLY 21 -25.853 -10.668 -9.245 179 HA2 GLY 21 2HA GLY 21 -23.999 -10.640 -11.430 180 HA3 GLY 21 3HA GLY 21 -25.346 -11.748 -11.221 181 H GLY 22 H GLY 22 -27.282 -9.529 -10.960 182 HA2 GLY 22 2HA GLY 22 -27.220 -8.460 -13.705 183 HA3 GLY 22 3HA GLY 22 -28.640 -9.320 -13.131 184 H TYR 23 H TYR 23 -27.159 -6.323 -13.429 185 HA TYR 23 HA TYR 23 -28.496 -5.064 -11.194 186 HB2 TYR 23 2HB TYR 23 -27.028 -3.775 -13.504 187 HB3 TYR 23 3HB TYR 23 -27.480 -3.006 -11.986 188 HD1 TYR 23 HD1 TYR 23 -25.296 -5.593 -13.487 189 HD2 TYR 23 HD2 TYR 23 -26.102 -3.190 -10.069 190 HE1 TYR 23 HE1 TYR 23 -23.137 -6.260 -12.516 191 HE2 TYR 23 HE2 TYR 23 -23.945 -3.849 -9.089 192 HH TYR 23 HH TYR 23 -21.657 -4.687 -10.071 193 HA PRO 24 HA PRO 24 -32.235 -3.898 -13.171 194 HB2 PRO 24 2HB PRO 24 -32.690 -1.456 -12.078 195 HB3 PRO 24 3HB PRO 24 -32.869 -2.962 -11.171 196 HG2 PRO 24 2HG PRO 24 -30.583 -1.029 -11.202 197 HG3 PRO 24 3HG PRO 24 -31.329 -1.857 -9.823 198 HD2 PRO 24 2HD PRO 24 -29.011 -2.695 -10.946 199 HD3 PRO 24 3HD PRO 24 -30.179 -3.815 -10.216 200 H TRP 25 H TRP 25 -29.519 -1.689 -13.348 201 HA TRP 25 HA TRP 25 -30.655 -0.546 -15.816 202 HB2 TRP 25 2HB TRP 25 -29.776 1.512 -15.310 203 HB3 TRP 25 3HB TRP 25 -30.035 0.905 -13.676 204 HD1 TRP 25 HD1 TRP 25 -27.360 2.179 -15.948 205 HE1 TRP 25 HE1 TRP 25 -25.073 2.044 -14.776 206 HE3 TRP 25 HE3 TRP 25 -28.674 -0.706 -11.938 207 HZ2 TRP 25 HZ2 TRP 25 -23.971 0.869 -12.458 208 HZ3 TRP 25 HZ3 TRP 25 -26.944 -1.291 -10.289 209 HH2 TRP 25 HH2 TRP 25 -24.642 -0.521 -10.545 210 H GLU 26 H GLU 26 -27.893 -2.066 -14.324 211 HA GLU 26 HA GLU 26 -26.394 -1.917 -16.841 212 HB2 GLU 26 2HB GLU 26 -25.659 -1.967 -14.046 213 HB3 GLU 26 3HB GLU 26 -24.847 -3.255 -14.923 214 HG2 GLU 26 2HG GLU 26 -24.636 -0.961 -16.525 215 HG3 GLU 26 3HG GLU 26 -24.277 -0.455 -14.876 216 H ARG 27 H ARG 27 -27.624 -3.451 -17.996 217 HA ARG 27 HA ARG 27 -27.644 -6.189 -16.970 218 HB2 ARG 27 2HB ARG 27 -29.150 -6.667 -18.857 219 HB3 ARG 27 3HB ARG 27 -29.749 -5.348 -17.860 220 HG2 ARG 27 2HG ARG 27 -29.887 -4.058 -19.647 221 HG3 ARG 27 3HG ARG 27 -28.150 -4.223 -19.907 222 HD2 ARG 27 2HD ARG 27 -29.018 -6.592 -20.868 223 HD3 ARG 27 3HD ARG 27 -30.409 -5.573 -21.234 224 HE ARG 27 HE ARG 27 -28.012 -4.310 -22.053 225 HH11 ARG 27 1HH1 ARG 27 -30.190 -6.887 -22.914 226 HH12 ARG 27 2HH1 ARG 27 -29.814 -6.815 -24.604 227 HH21 ARG 27 1HH2 ARG 27 -27.510 -4.206 -24.276 228 HH22 ARG 27 2HH2 ARG 27 -28.289 -5.290 -25.377 229 H GLY 28 H GLY 28 -26.146 -4.187 -19.388 230 HA2 GLY 28 2HA GLY 28 -25.145 -6.334 -20.998 231 HA3 GLY 28 3HA GLY 28 -24.633 -4.655 -21.065 232 H LYS 29 H LYS 29 -24.123 -7.756 -19.530 233 HA LYS 29 HA LYS 29 -22.075 -6.980 -17.753 234 HB2 LYS 29 2HB LYS 29 -22.454 -9.674 -19.071 235 HB3 LYS 29 3HB LYS 29 -21.545 -9.348 -17.602 236 HG2 LYS 29 2HG LYS 29 -23.542 -8.782 -16.414 237 HG3 LYS 29 3HG LYS 29 -24.502 -8.872 -17.893 238 HD2 LYS 29 2HD LYS 29 -24.953 -10.954 -17.138 239 HD3 LYS 29 3HD LYS 29 -23.405 -11.331 -17.895 240 HE2 LYS 29 2HE LYS 29 -22.265 -11.244 -15.831 241 HE3 LYS 29 3HE LYS 29 -23.626 -10.466 -15.025 242 HZ1 LYS 29 3HZ LYS 29 -24.819 -12.435 -14.963 243 HZ2 LYS 29 1HZ LYS 29 -23.241 -12.953 -14.641 244 HZ3 LYS 29 2HZ LYS 29 -23.901 -13.166 -16.182 245 H ALA 30 H ALA 30 -22.027 -8.071 -21.110 246 HA ALA 30 HA ALA 30 -19.265 -8.376 -21.416 247 HB1 ALA 30 3HB ALA 30 -21.541 -7.900 -23.267 248 HB2 ALA 30 1HB ALA 30 -19.903 -7.685 -23.885 249 HB3 ALA 30 2HB ALA 30 -20.393 -9.237 -23.204 Start of MODEL 9 1 H1 MET 1 H MET 1 0.593 0.798 0.647 2 HA MET 1 HA MET 1 2.617 1.088 -0.677 3 HB2 MET 1 2HB MET 1 2.724 -1.580 -0.584 4 HB3 MET 1 3HB MET 1 2.015 -1.405 -2.184 5 HG2 MET 1 2HG MET 1 3.899 -0.531 -3.080 6 HG3 MET 1 3HG MET 1 4.374 0.267 -1.582 7 HE1 MET 1 3HE MET 1 4.477 -2.465 -3.901 8 HE2 MET 1 1HE MET 1 5.795 -3.514 -3.378 9 HE3 MET 1 2HE MET 1 4.152 -3.812 -2.810 10 H LYS 2 H LYS 2 -0.305 -0.541 -1.873 11 HA LYS 2 HA LYS 2 -0.728 1.717 -3.697 12 HB2 LYS 2 2HB LYS 2 -0.627 -1.197 -4.412 13 HB3 LYS 2 3HB LYS 2 -1.629 -0.090 -5.341 14 HG2 LYS 2 2HG LYS 2 0.477 1.317 -5.619 15 HG3 LYS 2 3HG LYS 2 1.353 -0.097 -5.030 16 HD2 LYS 2 2HD LYS 2 -0.584 -0.273 -7.320 17 HD3 LYS 2 3HD LYS 2 1.105 0.177 -7.564 18 HE2 LYS 2 2HE LYS 2 1.708 -1.945 -6.323 19 HE3 LYS 2 3HE LYS 2 0.009 -2.398 -6.456 20 HZ1 LYS 2 3HZ LYS 2 0.682 -1.695 -8.990 21 HZ2 LYS 2 1HZ LYS 2 0.590 -3.277 -8.401 22 HZ3 LYS 2 2HZ LYS 2 2.078 -2.475 -8.439 23 H THR 3 H THR 3 -2.503 2.598 -2.826 24 HA THR 3 HA THR 3 -4.475 1.350 -1.342 25 HB THR 3 HB THR 3 -5.784 3.414 -2.744 26 HG1 THR 3 HG1 THR 3 -4.278 5.035 -2.840 27 HG21 THR 3 1HG2 THR 3 -6.252 3.463 -0.525 28 HG22 THR 3 2HG2 THR 3 -4.934 4.635 -0.501 29 HG23 THR 3 3HG2 THR 3 -4.627 2.955 -0.063 30 H ILE 4 H ILE 4 -4.055 1.476 -4.791 31 HA ILE 4 HA ILE 4 -6.664 0.849 -5.613 32 HB ILE 4 HB ILE 4 -5.670 0.059 -7.697 33 HG12 ILE 4 2HG1 ILE 4 -2.931 0.585 -7.362 34 HG13 ILE 4 3HG1 ILE 4 -3.391 -0.403 -5.979 35 HG21 ILE 4 1HG2 ILE 4 -5.250 2.152 -8.364 36 HG22 ILE 4 2HG2 ILE 4 -5.556 2.599 -6.686 37 HG23 ILE 4 3HG2 ILE 4 -3.903 2.337 -7.241 38 HD11 ILE 4 3HD1 ILE 4 -3.538 -1.067 -8.893 39 HD12 ILE 4 1HD1 ILE 4 -2.715 -1.933 -7.595 40 HD13 ILE 4 2HD1 ILE 4 -4.476 -1.956 -7.694 41 H LEU 5 H LEU 5 -4.168 -1.093 -4.202 42 HA LEU 5 HA LEU 5 -4.899 -3.641 -5.059 43 HB2 LEU 5 2HB LEU 5 -3.826 -2.817 -2.364 44 HB3 LEU 5 3HB LEU 5 -3.831 -4.457 -3.009 45 HG LEU 5 HG LEU 5 -2.352 -2.191 -4.328 46 HD11 LEU 5 1HD1 LEU 5 -1.759 -3.113 -1.827 47 HD12 LEU 5 2HD1 LEU 5 -0.601 -2.410 -2.955 48 HD13 LEU 5 3HD1 LEU 5 -0.778 -4.161 -2.852 49 HD21 LEU 5 3HD2 LEU 5 -1.801 -5.135 -4.504 50 HD22 LEU 5 1HD2 LEU 5 -1.285 -3.844 -5.589 51 HD23 LEU 5 2HD2 LEU 5 -2.976 -4.347 -5.559 52 H ARG 6 H ARG 6 -6.086 -1.750 -2.303 53 HA ARG 6 HA ARG 6 -7.750 -3.653 -1.152 54 HB2 ARG 6 2HB ARG 6 -7.808 -0.658 -1.253 55 HB3 ARG 6 3HB ARG 6 -9.138 -1.533 -0.509 56 HG2 ARG 6 2HG ARG 6 -7.499 -2.644 0.988 57 HG3 ARG 6 3HG ARG 6 -6.241 -1.615 0.299 58 HD2 ARG 6 2HD ARG 6 -6.756 -0.172 1.925 59 HD3 ARG 6 3HD ARG 6 -8.200 0.186 0.977 60 HE ARG 6 HE ARG 6 -9.434 -0.784 2.625 61 HH11 ARG 6 1HH1 ARG 6 -6.183 -2.014 2.818 62 HH12 ARG 6 2HH1 ARG 6 -6.479 -2.937 4.254 63 HH21 ARG 6 1HH2 ARG 6 -9.836 -1.995 4.516 64 HH22 ARG 6 2HH2 ARG 6 -8.557 -2.926 5.218 65 H PHE 7 H PHE 7 -8.212 -1.683 -3.997 66 HA PHE 7 HA PHE 7 -11.018 -2.167 -4.242 67 HB2 PHE 7 2HB PHE 7 -8.980 -1.206 -6.260 68 HB3 PHE 7 3HB PHE 7 -10.717 -1.246 -6.540 69 HD1 PHE 7 HD1 PHE 7 -8.101 0.230 -4.372 70 HD2 PHE 7 HD2 PHE 7 -12.083 0.516 -5.847 71 HE1 PHE 7 HE1 PHE 7 -8.308 2.467 -3.369 72 HE2 PHE 7 HE2 PHE 7 -12.297 2.753 -4.847 73 HZ PHE 7 HZ PHE 7 -10.408 3.732 -3.606 74 H VAL 8 H VAL 8 -8.256 -3.292 -6.204 75 HA VAL 8 HA VAL 8 -9.656 -5.196 -7.683 76 HB VAL 8 HB VAL 8 -7.342 -4.378 -8.177 77 HG11 VAL 8 1HG1 VAL 8 -6.574 -6.351 -6.028 78 HG12 VAL 8 2HG1 VAL 8 -5.455 -5.525 -7.114 79 HG13 VAL 8 3HG1 VAL 8 -6.396 -4.599 -5.944 80 HG21 VAL 8 3HG2 VAL 8 -6.656 -6.375 -9.259 81 HG22 VAL 8 1HG2 VAL 8 -7.486 -7.383 -8.073 82 HG23 VAL 8 2HG2 VAL 8 -8.418 -6.413 -9.212 83 H ALA 9 H ALA 9 -8.328 -5.346 -4.463 84 HA ALA 9 HA ALA 9 -8.196 -8.099 -4.072 85 HB1 ALA 9 3HB ALA 9 -8.416 -5.728 -2.341 86 HB2 ALA 9 1HB ALA 9 -8.944 -7.249 -1.622 87 HB3 ALA 9 2HB ALA 9 -7.308 -7.097 -2.260 88 H GLY 10 H GLY 10 -10.943 -6.015 -4.353 89 HA2 GLY 10 2HA GLY 10 -12.768 -7.934 -3.152 90 HA3 GLY 10 3HA GLY 10 -13.196 -6.376 -3.841 91 H TYR 11 H TYR 11 -11.895 -6.787 -6.367 92 HA TYR 11 HA TYR 11 -13.962 -7.872 -7.856 93 HB2 TYR 11 2HB TYR 11 -12.330 -6.423 -8.883 94 HB3 TYR 11 3HB TYR 11 -11.037 -7.574 -8.560 95 HD1 TYR 11 HD2 TYR 11 -14.443 -8.079 -10.000 96 HD2 TYR 11 HD1 TYR 11 -10.238 -8.280 -10.619 97 HE1 TYR 11 HE2 TYR 11 -14.822 -9.116 -12.198 98 HE2 TYR 11 HE1 TYR 11 -10.606 -9.317 -12.820 99 HH TYR 11 HH TYR 11 -13.826 -10.243 -13.898 100 H ASP 12 H ASP 12 -10.907 -9.406 -6.883 101 HA ASP 12 HA ASP 12 -11.263 -11.860 -8.145 102 HB2 ASP 12 2HB ASP 12 -9.217 -10.926 -6.857 103 HB3 ASP 12 3HB ASP 12 -9.974 -11.642 -5.438 104 H ILE 13 H ILE 13 -12.667 -10.603 -5.214 105 HA ILE 13 HA ILE 13 -13.714 -13.180 -4.396 106 HB ILE 13 HB ILE 13 -14.380 -10.465 -3.258 107 HG12 ILE 13 2HG1 ILE 13 -11.971 -10.807 -3.144 108 HG13 ILE 13 3HG1 ILE 13 -12.672 -10.977 -1.538 109 HG21 ILE 13 1HG2 ILE 13 -14.728 -12.004 -1.196 110 HG22 ILE 13 2HG2 ILE 13 -15.978 -11.916 -2.435 111 HG23 ILE 13 3HG2 ILE 13 -14.868 -13.285 -2.399 112 HD11 ILE 13 3HD1 ILE 13 -11.236 -12.911 -3.178 113 HD12 ILE 13 1HD1 ILE 13 -11.456 -12.838 -1.429 114 HD13 ILE 13 2HD1 ILE 13 -12.711 -13.545 -2.448 115 H ALA 14 H ALA 14 -14.808 -10.308 -6.061 116 HA ALA 14 HA ALA 14 -17.595 -10.904 -5.924 117 HB1 ALA 14 3HB ALA 14 -16.081 -8.727 -6.704 118 HB2 ALA 14 1HB ALA 14 -16.820 -9.287 -8.205 119 HB3 ALA 14 2HB ALA 14 -17.834 -8.879 -6.821 120 H SER 15 H SER 15 -14.987 -11.799 -8.057 121 HA SER 15 HA SER 15 -16.348 -12.547 -10.345 122 HB2 SER 15 2HB SER 15 -14.018 -14.052 -9.133 123 HB3 SER 15 3HB SER 15 -14.481 -14.006 -10.835 124 HG SER 15 HG SER 15 -13.402 -11.929 -9.249 125 H HIS 16 H HIS 16 -15.953 -14.299 -7.313 126 HA HIS 16 HA HIS 16 -17.431 -16.586 -8.338 127 HB2 HIS 16 2HB HIS 16 -16.128 -16.033 -5.669 128 HB3 HIS 16 3HB HIS 16 -17.034 -17.501 -6.022 129 HD1 HIS 16 HD1 HIS 16 -14.422 -18.318 -5.327 130 HD2 HIS 16 HD2 HIS 16 -15.108 -16.786 -9.128 131 HE1 HIS 16 HE1 HIS 16 -12.506 -19.133 -6.737 132 H LYS 17 H LYS 17 -17.818 -13.948 -6.034 133 HA LYS 17 HA LYS 17 -20.165 -14.717 -4.780 134 HB2 LYS 17 2HB LYS 17 -18.759 -12.725 -4.207 135 HB3 LYS 17 3HB LYS 17 -19.452 -11.895 -5.594 136 HG2 LYS 17 2HG LYS 17 -21.715 -12.302 -4.539 137 HG3 LYS 17 3HG LYS 17 -20.839 -12.790 -3.086 138 HD2 LYS 17 2HD LYS 17 -20.968 -10.609 -2.552 139 HD3 LYS 17 3HD LYS 17 -19.616 -10.436 -3.674 140 HE2 LYS 17 2HE LYS 17 -21.172 -9.916 -5.479 141 HE3 LYS 17 3HE LYS 17 -22.534 -10.128 -4.381 142 HZ1 LYS 17 3HZ LYS 17 -22.287 -7.894 -4.241 143 HZ2 LYS 17 1HZ LYS 17 -20.629 -7.924 -4.578 144 HZ3 LYS 17 2HZ LYS 17 -21.185 -8.324 -3.032 145 H LYS 18 H LYS 18 -20.003 -12.393 -7.485 146 HA LYS 18 HA LYS 18 -22.728 -13.201 -8.233 147 HB2 LYS 18 2HB LYS 18 -21.179 -10.669 -8.467 148 HB3 LYS 18 3HB LYS 18 -22.364 -11.017 -9.719 149 HG2 LYS 18 2HG LYS 18 -23.805 -11.523 -7.475 150 HG3 LYS 18 3HG LYS 18 -22.745 -10.223 -6.926 151 HD2 LYS 18 2HD LYS 18 -23.728 -8.684 -8.260 152 HD3 LYS 18 3HD LYS 18 -23.981 -9.834 -9.575 153 HE2 LYS 18 2HE LYS 18 -25.576 -10.348 -7.165 154 HE3 LYS 18 3HE LYS 18 -25.945 -8.829 -7.980 155 HZ1 LYS 18 3HZ LYS 18 -26.981 -9.914 -9.597 156 HZ2 LYS 18 1HZ LYS 18 -26.856 -11.324 -8.670 157 HZ3 LYS 18 2HZ LYS 18 -25.683 -10.972 -9.837 158 H LYS 19 H LYS 19 -22.887 -14.583 -9.859 159 HA LYS 19 HA LYS 19 -20.691 -14.971 -11.702 160 HB2 LYS 19 2HB LYS 19 -22.403 -16.718 -10.630 161 HB3 LYS 19 3HB LYS 19 -23.302 -16.344 -12.095 162 HG2 LYS 19 2HG LYS 19 -20.484 -16.888 -12.590 163 HG3 LYS 19 3HG LYS 19 -21.343 -18.242 -11.852 164 HD2 LYS 19 2HD LYS 19 -22.624 -16.817 -14.132 165 HD3 LYS 19 3HD LYS 19 -21.283 -17.913 -14.471 166 HE2 LYS 19 2HE LYS 19 -22.523 -19.652 -13.132 167 HE3 LYS 19 3HE LYS 19 -23.900 -18.552 -13.125 168 HZ1 LYS 19 3HZ LYS 19 -24.373 -19.788 -14.958 169 HZ2 LYS 19 1HZ LYS 19 -22.752 -20.079 -15.343 170 HZ3 LYS 19 2HZ LYS 19 -23.448 -18.578 -15.694 171 H THR 20 H THR 20 -23.480 -13.067 -11.572 172 HA THR 20 HA THR 20 -23.108 -12.261 -14.340 173 HB THR 20 HB THR 20 -24.798 -13.929 -14.660 174 HG1 THR 20 HG1 THR 20 -25.089 -11.696 -15.565 175 HG21 THR 20 1HG2 THR 20 -25.538 -14.077 -12.304 176 HG22 THR 20 2HG2 THR 20 -26.891 -13.968 -13.432 177 HG23 THR 20 3HG2 THR 20 -26.401 -12.552 -12.501 178 H GLY 21 H GLY 21 -23.455 -10.122 -14.644 179 HA2 GLY 21 2HA GLY 21 -25.223 -8.392 -13.595 180 HA3 GLY 21 3HA GLY 21 -24.052 -8.532 -12.293 181 H GLY 22 H GLY 22 -24.773 -7.114 -15.325 182 HA2 GLY 22 2HA GLY 22 -22.540 -5.316 -15.070 183 HA3 GLY 22 3HA GLY 22 -22.390 -6.412 -16.437 184 H TYR 23 H TYR 23 -23.974 -3.626 -15.162 185 HA TYR 23 HA TYR 23 -25.328 -3.253 -17.752 186 HB2 TYR 23 2HB TYR 23 -26.333 -2.282 -15.071 187 HB3 TYR 23 3HB TYR 23 -27.146 -2.108 -16.622 188 HD1 TYR 23 HD1 TYR 23 -26.063 -4.572 -14.080 189 HD2 TYR 23 HD2 TYR 23 -28.504 -3.844 -17.487 190 HE1 TYR 23 HE1 TYR 23 -27.211 -6.715 -13.708 191 HE2 TYR 23 HE2 TYR 23 -29.660 -5.984 -17.125 192 HH TYR 23 HH TYR 23 -29.029 -7.953 -14.278 193 HA PRO 24 HA PRO 24 -23.245 0.589 -18.146 194 HB2 PRO 24 2HB PRO 24 -25.116 2.096 -19.411 195 HB3 PRO 24 3HB PRO 24 -24.237 0.786 -20.210 196 HG2 PRO 24 2HG PRO 24 -26.989 0.778 -19.031 197 HG3 PRO 24 3HG PRO 24 -26.425 0.079 -20.561 198 HD2 PRO 24 2HD PRO 24 -26.816 -1.413 -18.335 199 HD3 PRO 24 3HD PRO 24 -25.563 -1.795 -19.532 200 H TRP 25 H TRP 25 -26.404 0.576 -16.625 201 HA TRP 25 HA TRP 25 -25.691 3.058 -15.205 202 HB2 TRP 25 2HB TRP 25 -27.879 3.748 -15.242 203 HB3 TRP 25 3HB TRP 25 -27.854 2.809 -16.732 204 HD1 TRP 25 HD1 TRP 25 -29.584 3.037 -13.431 205 HE1 TRP 25 HE1 TRP 25 -31.262 1.102 -13.182 206 HE3 TRP 25 HE3 TRP 25 -28.109 0.170 -17.399 207 HZ2 TRP 25 HZ2 TRP 25 -31.878 -1.321 -14.493 208 HZ3 TRP 25 HZ3 TRP 25 -29.294 -1.942 -17.832 209 HH2 TRP 25 HH2 TRP 25 -31.140 -2.671 -16.408 210 H GLU 26 H GLU 26 -26.765 -0.248 -14.913 211 HA GLU 26 HA GLU 26 -26.895 0.004 -11.994 212 HB2 GLU 26 2HB GLU 26 -28.269 -1.621 -13.950 213 HB3 GLU 26 3HB GLU 26 -27.519 -2.632 -12.723 214 HG2 GLU 26 2HG GLU 26 -28.744 -0.514 -11.351 215 HG3 GLU 26 3HG GLU 26 -29.899 -1.055 -12.568 216 H ARG 27 H ARG 27 -24.650 0.151 -11.621 217 HA ARG 27 HA ARG 27 -23.333 -2.428 -11.521 218 HB2 ARG 27 2HB ARG 27 -22.603 -1.691 -13.693 219 HB3 ARG 27 3HB ARG 27 -22.191 -0.101 -13.069 220 HG2 ARG 27 2HG ARG 27 -20.187 -1.383 -13.416 221 HG3 ARG 27 3HG ARG 27 -20.431 -1.125 -11.688 222 HD2 ARG 27 2HD ARG 27 -21.406 -3.377 -11.511 223 HD3 ARG 27 3HD ARG 27 -21.102 -3.629 -13.229 224 HE ARG 27 HE ARG 27 -18.738 -2.916 -11.785 225 HH11 ARG 27 1HH1 ARG 27 -20.857 -5.550 -12.615 226 HH12 ARG 27 2HH1 ARG 27 -19.637 -6.764 -12.421 227 HH21 ARG 27 1HH2 ARG 27 -17.123 -4.505 -11.526 228 HH22 ARG 27 2HH2 ARG 27 -17.513 -6.169 -11.800 229 H GLY 28 H GLY 28 -22.574 -2.598 -9.524 230 HA2 GLY 28 2HA GLY 28 -20.750 -1.561 -8.082 231 HA3 GLY 28 3HA GLY 28 -21.768 -0.129 -8.121 232 H LYS 29 H LYS 29 -20.967 -1.380 -5.749 233 HA LYS 29 HA LYS 29 -23.036 -3.098 -4.769 234 HB2 LYS 29 2HB LYS 29 -21.923 -2.938 -2.640 235 HB3 LYS 29 3HB LYS 29 -20.704 -3.104 -3.895 236 HG2 LYS 29 2HG LYS 29 -20.467 -0.592 -3.823 237 HG3 LYS 29 3HG LYS 29 -21.457 -0.633 -2.363 238 HD2 LYS 29 2HD LYS 29 -19.739 -1.317 -1.113 239 HD3 LYS 29 3HD LYS 29 -19.304 -2.575 -2.272 240 HE2 LYS 29 2HE LYS 29 -18.358 -0.591 -3.661 241 HE3 LYS 29 3HE LYS 29 -18.389 0.270 -2.123 242 HZ1 LYS 29 3HZ LYS 29 -17.111 -1.721 -1.231 243 HZ2 LYS 29 1HZ LYS 29 -16.271 -0.658 -2.246 244 HZ3 LYS 29 2HZ LYS 29 -16.833 -2.135 -2.848 245 H ALA 30 H ALA 30 -22.413 0.347 -4.738 246 HA ALA 30 HA ALA 30 -25.136 0.827 -3.856 247 HB1 ALA 30 3HB ALA 30 -24.599 2.203 -1.995 248 HB2 ALA 30 1HB ALA 30 -23.732 0.683 -1.779 249 HB3 ALA 30 2HB ALA 30 -22.873 2.115 -2.346 Start of MODEL 10 1 H1 MET 1 H MET 1 1.031 1.449 0.350 2 HA MET 1 HA MET 1 2.976 0.706 -1.139 3 HB2 MET 1 2HB MET 1 1.742 -1.752 -0.406 4 HB3 MET 1 3HB MET 1 1.578 -1.566 -2.148 5 HG2 MET 1 2HG MET 1 4.240 -0.905 -1.186 6 HG3 MET 1 3HG MET 1 3.763 -2.561 -0.819 7 HE1 MET 1 3HE MET 1 3.433 -4.517 -3.123 8 HE2 MET 1 1HE MET 1 5.087 -4.222 -3.660 9 HE3 MET 1 2HE MET 1 4.682 -4.102 -1.948 10 H LYS 2 H LYS 2 -0.319 -0.470 -1.835 11 HA LYS 2 HA LYS 2 -0.719 1.758 -3.675 12 HB2 LYS 2 2HB LYS 2 -0.621 -1.137 -4.461 13 HB3 LYS 2 3HB LYS 2 -1.638 -0.011 -5.350 14 HG2 LYS 2 2HG LYS 2 0.455 1.408 -5.633 15 HG3 LYS 2 3HG LYS 2 1.349 -0.007 -5.071 16 HD2 LYS 2 2HD LYS 2 -0.621 -0.526 -7.196 17 HD3 LYS 2 3HD LYS 2 0.744 0.490 -7.666 18 HE2 LYS 2 2HE LYS 2 2.311 -1.189 -7.028 19 HE3 LYS 2 3HE LYS 2 1.051 -2.155 -6.261 20 HZ1 LYS 2 3HZ LYS 2 0.459 -1.635 -8.999 21 HZ2 LYS 2 1HZ LYS 2 0.566 -3.115 -8.187 22 HZ3 LYS 2 2HZ LYS 2 1.957 -2.404 -8.833 23 H THR 3 H THR 3 -2.484 2.613 -2.758 24 HA THR 3 HA THR 3 -4.432 1.322 -1.278 25 HB THR 3 HB THR 3 -5.702 3.447 -2.696 26 HG1 THR 3 HG1 THR 3 -3.965 5.033 -1.956 27 HG21 THR 3 1HG2 THR 3 -5.772 4.485 -0.534 28 HG22 THR 3 2HG2 THR 3 -4.435 3.489 0.042 29 HG23 THR 3 3HG2 THR 3 -5.996 2.751 -0.311 30 H ILE 4 H ILE 4 -4.061 1.535 -4.729 31 HA ILE 4 HA ILE 4 -6.679 0.919 -5.530 32 HB ILE 4 HB ILE 4 -5.711 0.183 -7.646 33 HG12 ILE 4 2HG1 ILE 4 -2.969 0.709 -7.336 34 HG13 ILE 4 3HG1 ILE 4 -3.407 -0.313 -5.971 35 HG21 ILE 4 1HG2 ILE 4 -5.672 2.687 -6.650 36 HG22 ILE 4 2HG2 ILE 4 -3.967 2.480 -7.052 37 HG23 ILE 4 3HG2 ILE 4 -5.198 2.278 -8.299 38 HD11 ILE 4 3HD1 ILE 4 -3.601 -0.909 -8.897 39 HD12 ILE 4 1HD1 ILE 4 -2.745 -1.798 -7.637 40 HD13 ILE 4 2HD1 ILE 4 -4.508 -1.833 -7.700 41 H LEU 5 H LEU 5 -4.158 -1.049 -4.201 42 HA LEU 5 HA LEU 5 -4.895 -3.577 -5.110 43 HB2 LEU 5 2HB LEU 5 -3.787 -2.815 -2.412 44 HB3 LEU 5 3HB LEU 5 -3.797 -4.440 -3.095 45 HG LEU 5 HG LEU 5 -2.342 -2.138 -4.378 46 HD11 LEU 5 1HD1 LEU 5 -0.742 -4.139 -2.974 47 HD12 LEU 5 2HD1 LEU 5 -1.713 -3.122 -1.910 48 HD13 LEU 5 3HD1 LEU 5 -0.572 -2.384 -3.035 49 HD21 LEU 5 3HD2 LEU 5 -1.291 -3.756 -5.697 50 HD22 LEU 5 1HD2 LEU 5 -2.978 -4.267 -5.651 51 HD23 LEU 5 2HD2 LEU 5 -1.784 -5.076 -4.635 52 H ARG 6 H ARG 6 -6.049 -1.757 -2.292 53 HA ARG 6 HA ARG 6 -7.691 -3.692 -1.166 54 HB2 ARG 6 2HB ARG 6 -7.783 -0.693 -1.201 55 HB3 ARG 6 3HB ARG 6 -9.071 -1.608 -0.431 56 HG2 ARG 6 2HG ARG 6 -7.759 -2.274 1.294 57 HG3 ARG 6 3HG ARG 6 -6.293 -2.303 0.313 58 HD2 ARG 6 2HD ARG 6 -6.977 0.359 0.321 59 HD3 ARG 6 3HD ARG 6 -7.417 -0.165 1.946 60 HE ARG 6 HE ARG 6 -4.770 0.119 0.878 61 HH11 ARG 6 1HH1 ARG 6 -6.728 -1.540 3.231 62 HH12 ARG 6 2HH1 ARG 6 -5.402 -1.868 4.296 63 HH21 ARG 6 1HH2 ARG 6 -3.016 -0.306 2.271 64 HH22 ARG 6 2HH2 ARG 6 -3.290 -1.165 3.749 65 H PHE 7 H PHE 7 -8.197 -1.655 -3.955 66 HA PHE 7 HA PHE 7 -11.005 -2.141 -4.172 67 HB2 PHE 7 2HB PHE 7 -8.998 -1.127 -6.195 68 HB3 PHE 7 3HB PHE 7 -10.739 -1.165 -6.452 69 HD1 PHE 7 HD2 PHE 7 -8.096 0.267 -4.285 70 HD2 PHE 7 HD1 PHE 7 -12.099 0.577 -5.700 71 HE1 PHE 7 HE2 PHE 7 -8.295 2.479 -3.227 72 HE2 PHE 7 HE1 PHE 7 -12.304 2.790 -4.644 73 HZ PHE 7 HZ PHE 7 -10.402 3.743 -3.404 74 H VAL 8 H VAL 8 -8.269 -3.211 -6.199 75 HA VAL 8 HA VAL 8 -9.685 -5.083 -7.703 76 HB VAL 8 HB VAL 8 -7.380 -4.248 -8.210 77 HG11 VAL 8 1HG1 VAL 8 -5.476 -5.417 -7.201 78 HG12 VAL 8 2HG1 VAL 8 -6.401 -4.520 -5.996 79 HG13 VAL 8 3HG1 VAL 8 -6.577 -6.271 -6.120 80 HG21 VAL 8 3HG2 VAL 8 -8.472 -6.268 -9.269 81 HG22 VAL 8 1HG2 VAL 8 -6.712 -6.207 -9.357 82 HG23 VAL 8 2HG2 VAL 8 -7.500 -7.255 -8.178 83 H ALA 9 H ALA 9 -8.311 -5.307 -4.506 84 HA ALA 9 HA ALA 9 -8.168 -8.068 -4.183 85 HB1 ALA 9 3HB ALA 9 -7.208 -6.782 -2.485 86 HB2 ALA 9 1HB ALA 9 -8.675 -5.830 -2.250 87 HB3 ALA 9 2HB ALA 9 -8.621 -7.513 -1.724 88 H GLY 10 H GLY 10 -10.922 -5.984 -4.375 89 HA2 GLY 10 2HA GLY 10 -12.730 -7.918 -3.181 90 HA3 GLY 10 3HA GLY 10 -13.169 -6.358 -3.862 91 H TYR 11 H TYR 11 -11.768 -6.877 -6.384 92 HA TYR 11 HA TYR 11 -13.876 -7.897 -7.886 93 HB2 TYR 11 2HB TYR 11 -12.181 -6.496 -8.897 94 HB3 TYR 11 3HB TYR 11 -10.937 -7.700 -8.574 95 HD1 TYR 11 HD2 TYR 11 -14.358 -8.194 -9.956 96 HD2 TYR 11 HD1 TYR 11 -10.169 -8.304 -10.694 97 HE1 TYR 11 HE2 TYR 11 -14.779 -9.211 -12.156 98 HE2 TYR 11 HE1 TYR 11 -10.578 -9.320 -12.897 99 HH TYR 11 HH TYR 11 -12.112 -10.236 -14.246 100 H ASP 12 H ASP 12 -10.860 -9.496 -6.891 101 HA ASP 12 HA ASP 12 -11.276 -11.954 -8.121 102 HB2 ASP 12 2HB ASP 12 -9.210 -11.058 -6.842 103 HB3 ASP 12 3HB ASP 12 -9.988 -11.733 -5.412 104 H ILE 13 H ILE 13 -12.688 -10.614 -5.239 105 HA ILE 13 HA ILE 13 -13.764 -13.148 -4.343 106 HB ILE 13 HB ILE 13 -14.463 -10.386 -3.346 107 HG12 ILE 13 2HG1 ILE 13 -12.046 -10.748 -3.181 108 HG13 ILE 13 3HG1 ILE 13 -12.788 -10.774 -1.586 109 HG21 ILE 13 1HG2 ILE 13 -14.591 -12.282 -1.297 110 HG22 ILE 13 2HG2 ILE 13 -15.940 -11.481 -2.102 111 HG23 ILE 13 3HG2 ILE 13 -15.359 -13.038 -2.692 112 HD11 ILE 13 3HD1 ILE 13 -11.860 -12.738 -1.205 113 HD12 ILE 13 1HD1 ILE 13 -12.763 -13.427 -2.554 114 HD13 ILE 13 2HD1 ILE 13 -11.162 -12.736 -2.824 115 H ALA 14 H ALA 14 -14.869 -10.292 -6.065 116 HA ALA 14 HA ALA 14 -17.639 -10.938 -6.003 117 HB1 ALA 14 3HB ALA 14 -16.132 -8.757 -6.795 118 HB2 ALA 14 1HB ALA 14 -16.839 -9.356 -8.296 119 HB3 ALA 14 2HB ALA 14 -17.881 -8.931 -6.939 120 H SER 15 H SER 15 -14.971 -11.948 -7.962 121 HA SER 15 HA SER 15 -16.183 -12.698 -10.326 122 HB2 SER 15 2HB SER 15 -13.791 -12.863 -10.078 123 HB3 SER 15 3HB SER 15 -13.958 -14.063 -8.798 124 HG SER 15 HG SER 15 -14.407 -14.336 -11.564 125 H HIS 16 H HIS 16 -15.969 -14.526 -7.295 126 HA HIS 16 HA HIS 16 -17.719 -16.590 -8.398 127 HB2 HIS 16 2HB HIS 16 -17.205 -17.838 -6.341 128 HB3 HIS 16 3HB HIS 16 -15.737 -17.347 -7.179 129 HD1 HIS 16 HD1 HIS 16 -17.613 -16.887 -4.011 130 HD2 HIS 16 HD2 HIS 16 -14.220 -15.352 -5.855 131 HE1 HIS 16 HE1 HIS 16 -16.374 -15.643 -2.210 132 H LYS 17 H LYS 17 -17.624 -14.141 -5.867 133 HA LYS 17 HA LYS 17 -20.053 -14.824 -4.608 134 HB2 LYS 17 2HB LYS 17 -18.468 -12.266 -4.751 135 HB3 LYS 17 3HB LYS 17 -19.975 -12.377 -3.850 136 HG2 LYS 17 2HG LYS 17 -18.407 -14.568 -3.047 137 HG3 LYS 17 3HG LYS 17 -17.340 -13.162 -3.072 138 HD2 LYS 17 2HD LYS 17 -18.973 -11.931 -1.695 139 HD3 LYS 17 3HD LYS 17 -19.987 -13.374 -1.636 140 HE2 LYS 17 2HE LYS 17 -17.127 -13.382 -0.713 141 HE3 LYS 17 3HE LYS 17 -18.456 -12.936 0.356 142 HZ1 LYS 17 3HZ LYS 17 -19.406 -15.080 0.127 143 HZ2 LYS 17 1HZ LYS 17 -17.765 -15.315 0.463 144 HZ3 LYS 17 2HZ LYS 17 -18.342 -15.509 -1.116 145 H LYS 18 H LYS 18 -19.539 -11.852 -6.492 146 HA LYS 18 HA LYS 18 -22.051 -12.357 -7.918 147 HB2 LYS 18 2HB LYS 18 -21.461 -10.127 -6.054 148 HB3 LYS 18 3HB LYS 18 -22.286 -9.701 -7.548 149 HG2 LYS 18 2HG LYS 18 -24.186 -10.269 -6.565 150 HG3 LYS 18 3HG LYS 18 -23.634 -11.946 -6.598 151 HD2 LYS 18 2HD LYS 18 -24.169 -11.557 -4.352 152 HD3 LYS 18 3HD LYS 18 -22.413 -11.388 -4.415 153 HE2 LYS 18 2HE LYS 18 -22.505 -9.247 -3.788 154 HE3 LYS 18 3HE LYS 18 -23.783 -8.883 -4.947 155 HZ1 LYS 18 3HZ LYS 18 -23.974 -9.301 -2.146 156 HZ2 LYS 18 1HZ LYS 18 -24.973 -10.389 -2.972 157 HZ3 LYS 18 2HZ LYS 18 -25.145 -8.725 -3.223 158 H LYS 19 H LYS 19 -21.133 -12.636 -9.892 159 HA LYS 19 HA LYS 19 -19.474 -10.428 -10.922 160 HB2 LYS 19 2HB LYS 19 -18.298 -12.599 -10.797 161 HB3 LYS 19 3HB LYS 19 -19.527 -13.312 -11.833 162 HG2 LYS 19 2HG LYS 19 -18.348 -10.928 -12.997 163 HG3 LYS 19 3HG LYS 19 -17.152 -12.179 -12.650 164 HD2 LYS 19 2HD LYS 19 -19.724 -12.765 -14.097 165 HD3 LYS 19 3HD LYS 19 -18.262 -12.247 -14.941 166 HE2 LYS 19 2HE LYS 19 -17.142 -14.189 -13.614 167 HE3 LYS 19 3HE LYS 19 -18.795 -14.780 -13.443 168 HZ1 LYS 19 3HZ LYS 19 -17.367 -14.245 -15.991 169 HZ2 LYS 19 1HZ LYS 19 -18.995 -14.693 -15.877 170 HZ3 LYS 19 2HZ LYS 19 -17.786 -15.761 -15.369 171 H THR 20 H THR 20 -22.438 -12.030 -11.175 172 HA THR 20 HA THR 20 -22.874 -11.237 -13.953 173 HB THR 20 HB THR 20 -24.985 -12.445 -13.810 174 HG1 THR 20 HG1 THR 20 -25.825 -12.492 -11.862 175 HG21 THR 20 1HG2 THR 20 -22.690 -14.013 -12.623 176 HG22 THR 20 2HG2 THR 20 -22.985 -13.738 -14.341 177 HG23 THR 20 3HG2 THR 20 -24.114 -14.707 -13.396 178 H GLY 21 H GLY 21 -22.514 -9.101 -12.185 179 HA2 GLY 21 2HA GLY 21 -23.552 -6.996 -12.138 180 HA3 GLY 21 3HA GLY 21 -25.086 -7.770 -12.509 181 H GLY 22 H GLY 22 -26.127 -9.004 -10.765 182 HA2 GLY 22 2HA GLY 22 -26.540 -9.455 -8.493 183 HA3 GLY 22 3HA GLY 22 -25.251 -8.343 -8.061 184 H TYR 23 H TYR 23 -28.541 -8.786 -8.109 185 HA TYR 23 HA TYR 23 -29.107 -5.904 -8.177 186 HB2 TYR 23 2HB TYR 23 -31.068 -8.204 -8.236 187 HB3 TYR 23 3HB TYR 23 -31.439 -6.502 -8.486 188 HD1 TYR 23 HD2 TYR 23 -29.678 -9.415 -9.940 189 HD2 TYR 23 HD1 TYR 23 -31.203 -5.502 -10.618 190 HE1 TYR 23 HE2 TYR 23 -29.308 -9.696 -12.355 191 HE2 TYR 23 HE1 TYR 23 -30.839 -5.772 -13.036 192 HH TYR 23 HH TYR 23 -30.686 -7.833 -14.654 193 HA PRO 24 HA PRO 24 -29.810 -5.671 -3.851 194 HB2 PRO 24 2HB PRO 24 -31.865 -3.902 -3.728 195 HB3 PRO 24 3HB PRO 24 -30.215 -3.430 -4.152 196 HG2 PRO 24 2HG PRO 24 -32.554 -3.961 -5.944 197 HG3 PRO 24 3HG PRO 24 -31.353 -2.658 -6.028 198 HD2 PRO 24 2HD PRO 24 -31.233 -4.854 -7.607 199 HD3 PRO 24 3HD PRO 24 -29.780 -4.003 -7.043 200 H TRP 25 H TRP 25 -32.529 -6.445 -5.923 201 HA TRP 25 HA TRP 25 -33.840 -7.780 -3.646 202 HB2 TRP 25 2HB TRP 25 -35.908 -7.201 -4.450 203 HB3 TRP 25 3HB TRP 25 -34.976 -5.835 -5.058 204 HD1 TRP 25 HD1 TRP 25 -37.166 -8.637 -6.195 205 HE1 TRP 25 HE1 TRP 25 -37.299 -8.662 -8.765 206 HE3 TRP 25 HE3 TRP 25 -33.395 -5.346 -7.233 207 HZ2 TRP 25 HZ2 TRP 25 -35.978 -7.449 -10.945 208 HZ3 TRP 25 HZ3 TRP 25 -32.891 -4.834 -9.587 209 HH2 TRP 25 HH2 TRP 25 -34.157 -5.864 -11.402 210 H GLU 26 H GLU 26 -32.681 -8.095 -6.921 211 HA GLU 26 HA GLU 26 -33.592 -10.881 -7.025 212 HB2 GLU 26 2HB GLU 26 -33.189 -8.807 -8.997 213 HB3 GLU 26 3HB GLU 26 -32.277 -10.249 -9.421 214 HG2 GLU 26 2HG GLU 26 -34.818 -11.132 -8.618 215 HG3 GLU 26 3HG GLU 26 -35.078 -9.739 -9.666 216 H ARG 27 H ARG 27 -32.072 -11.731 -5.554 217 HA ARG 27 HA ARG 27 -29.355 -11.951 -6.666 218 HB2 ARG 27 2HB ARG 27 -29.826 -10.541 -4.436 219 HB3 ARG 27 3HB ARG 27 -29.695 -12.143 -3.722 220 HG2 ARG 27 2HG ARG 27 -27.612 -10.826 -5.454 221 HG3 ARG 27 3HG ARG 27 -27.566 -10.944 -3.694 222 HD2 ARG 27 2HD ARG 27 -27.510 -13.224 -5.666 223 HD3 ARG 27 3HD ARG 27 -26.175 -12.666 -4.658 224 HE ARG 27 HE ARG 27 -28.221 -13.313 -2.925 225 HH11 ARG 27 1HH1 ARG 27 -26.309 -14.954 -5.328 226 HH12 ARG 27 2HH1 ARG 27 -26.402 -16.494 -4.539 227 HH21 ARG 27 1HH2 ARG 27 -28.350 -15.335 -1.877 228 HH22 ARG 27 2HH2 ARG 27 -27.564 -16.710 -2.577 229 H GLY 28 H GLY 28 -29.565 -13.960 -7.553 230 HA2 GLY 28 2HA GLY 28 -29.542 -16.189 -5.735 231 HA3 GLY 28 3HA GLY 28 -30.996 -16.126 -6.721 232 H LYS 29 H LYS 29 -27.594 -16.758 -6.662 233 HA LYS 29 HA LYS 29 -27.203 -16.986 -9.468 234 HB2 LYS 29 2HB LYS 29 -25.102 -18.088 -8.890 235 HB3 LYS 29 3HB LYS 29 -25.339 -16.650 -7.905 236 HG2 LYS 29 2HG LYS 29 -26.082 -18.046 -6.043 237 HG3 LYS 29 3HG LYS 29 -25.840 -19.489 -7.031 238 HD2 LYS 29 2HD LYS 29 -23.559 -17.607 -6.737 239 HD3 LYS 29 3HD LYS 29 -23.988 -18.605 -5.346 240 HE2 LYS 29 2HE LYS 29 -23.844 -20.003 -7.937 241 HE3 LYS 29 3HE LYS 29 -22.314 -19.391 -7.313 242 HZ1 LYS 29 3HZ LYS 29 -22.913 -21.706 -6.625 243 HZ2 LYS 29 1HZ LYS 29 -24.163 -21.047 -5.696 244 HZ3 LYS 29 2HZ LYS 29 -22.555 -20.654 -5.350 245 H ALA 30 H ALA 30 -28.308 -19.170 -6.973 246 HA ALA 30 HA ALA 30 -29.266 -21.018 -8.968 247 HB1 ALA 30 3HB ALA 30 -28.073 -22.958 -8.213 248 HB2 ALA 30 1HB ALA 30 -26.902 -21.711 -8.644 249 HB3 ALA 30 2HB ALA 30 -27.270 -22.029 -6.948 Start of MODEL 11 1 H1 MET 1 H MET 1 2.045 2.021 -0.199 2 HA MET 1 HA MET 1 1.386 -0.752 -0.564 3 HB2 MET 1 2HB MET 1 0.972 0.120 1.964 4 HB3 MET 1 3HB MET 1 -0.564 0.559 1.230 5 HG2 MET 1 2HG MET 1 -0.932 -1.566 2.084 6 HG3 MET 1 3HG MET 1 -0.637 -1.841 0.369 7 HE1 MET 1 3HE MET 1 1.263 -4.834 0.731 8 HE2 MET 1 1HE MET 1 -0.001 -3.849 -0.007 9 HE3 MET 1 2HE MET 1 1.689 -3.567 -0.422 10 H LYS 2 H LYS 2 0.557 -0.590 -2.545 11 HA LYS 2 HA LYS 2 -0.681 1.677 -3.629 12 HB2 LYS 2 2HB LYS 2 -0.605 -1.219 -4.418 13 HB3 LYS 2 3HB LYS 2 -1.603 -0.080 -5.314 14 HG2 LYS 2 2HG LYS 2 1.244 0.621 -4.839 15 HG3 LYS 2 3HG LYS 2 0.869 -0.622 -6.036 16 HD2 LYS 2 2HD LYS 2 -0.700 0.979 -7.116 17 HD3 LYS 2 3HD LYS 2 -0.148 2.218 -5.986 18 HE2 LYS 2 2HE LYS 2 2.129 1.984 -6.834 19 HE3 LYS 2 3HE LYS 2 1.593 0.726 -7.947 20 HZ1 LYS 2 3HZ LYS 2 1.491 2.509 -9.320 21 HZ2 LYS 2 1HZ LYS 2 1.190 3.616 -8.076 22 HZ3 LYS 2 2HZ LYS 2 -0.060 2.636 -8.656 23 H THR 3 H THR 3 -2.445 2.545 -2.720 24 HA THR 3 HA THR 3 -4.414 1.269 -1.254 25 HB THR 3 HB THR 3 -5.657 3.406 -2.676 26 HG1 THR 3 HG1 THR 3 -3.196 4.264 -1.590 27 HG21 THR 3 1HG2 THR 3 -5.972 2.711 -0.294 28 HG22 THR 3 2HG2 THR 3 -5.725 4.444 -0.512 29 HG23 THR 3 3HG2 THR 3 -4.404 3.430 0.069 30 H ILE 4 H ILE 4 -4.020 1.485 -4.702 31 HA ILE 4 HA ILE 4 -6.636 0.892 -5.521 32 HB ILE 4 HB ILE 4 -5.660 0.147 -7.632 33 HG12 ILE 4 2HG1 ILE 4 -2.918 0.650 -7.303 34 HG13 ILE 4 3HG1 ILE 4 -3.373 -0.369 -5.941 35 HG21 ILE 4 1HG2 ILE 4 -3.971 2.474 -6.852 36 HG22 ILE 4 2HG2 ILE 4 -4.936 2.218 -8.304 37 HG23 ILE 4 3HG2 ILE 4 -5.727 2.627 -6.782 38 HD11 ILE 4 3HD1 ILE 4 -4.466 -1.890 -7.661 39 HD12 ILE 4 1HD1 ILE 4 -3.576 -0.963 -8.870 40 HD13 ILE 4 2HD1 ILE 4 -2.704 -1.848 -7.618 41 H LEU 5 H LEU 5 -4.142 -1.101 -4.178 42 HA LEU 5 HA LEU 5 -4.898 -3.620 -5.094 43 HB2 LEU 5 2HB LEU 5 -3.797 -2.873 -2.390 44 HB3 LEU 5 3HB LEU 5 -3.818 -4.496 -3.075 45 HG LEU 5 HG LEU 5 -2.336 -2.205 -4.346 46 HD11 LEU 5 1HD1 LEU 5 -0.559 -2.490 -3.012 47 HD12 LEU 5 2HD1 LEU 5 -0.781 -4.236 -2.920 48 HD13 LEU 5 3HD1 LEU 5 -1.725 -3.172 -1.878 49 HD21 LEU 5 3HD2 LEU 5 -1.299 -3.825 -5.668 50 HD22 LEU 5 1HD2 LEU 5 -2.987 -4.333 -5.622 51 HD23 LEU 5 2HD2 LEU 5 -1.794 -5.144 -4.607 52 H ARG 6 H ARG 6 -6.048 -1.792 -2.279 53 HA ARG 6 HA ARG 6 -7.715 -3.713 -1.163 54 HB2 ARG 6 2HB ARG 6 -7.735 -0.718 -1.182 55 HB3 ARG 6 3HB ARG 6 -9.087 -1.588 -0.469 56 HG2 ARG 6 2HG ARG 6 -7.436 -2.791 0.976 57 HG3 ARG 6 3HG ARG 6 -6.199 -1.694 0.360 58 HD2 ARG 6 2HD ARG 6 -7.473 0.215 1.204 59 HD3 ARG 6 3HD ARG 6 -8.713 -0.880 1.814 60 HE ARG 6 HE ARG 6 -6.418 -1.751 2.992 61 HH11 ARG 6 1HH1 ARG 6 -8.064 1.311 2.814 62 HH12 ARG 6 2HH1 ARG 6 -7.504 1.850 4.363 63 HH21 ARG 6 1HH2 ARG 6 -5.675 -1.054 5.032 64 HH22 ARG 6 2HH2 ARG 6 -6.145 0.504 5.624 65 H PHE 7 H PHE 7 -8.188 -1.671 -3.954 66 HA PHE 7 HA PHE 7 -10.999 -2.129 -4.185 67 HB2 PHE 7 2HB PHE 7 -8.972 -1.133 -6.196 68 HB3 PHE 7 3HB PHE 7 -10.712 -1.155 -6.464 69 HD1 PHE 7 HD2 PHE 7 -8.067 0.254 -4.286 70 HD2 PHE 7 HD1 PHE 7 -12.061 0.597 -5.716 71 HE1 PHE 7 HE2 PHE 7 -8.253 2.466 -3.227 72 HE2 PHE 7 HE1 PHE 7 -12.253 2.812 -4.661 73 HZ PHE 7 HZ PHE 7 -10.347 3.748 -3.414 74 H VAL 8 H VAL 8 -8.263 -3.225 -6.198 75 HA VAL 8 HA VAL 8 -9.690 -5.083 -7.711 76 HB VAL 8 HB VAL 8 -7.373 -4.269 -8.205 77 HG11 VAL 8 1HG1 VAL 8 -5.486 -5.458 -7.189 78 HG12 VAL 8 2HG1 VAL 8 -6.407 -4.551 -5.988 79 HG13 VAL 8 3HG1 VAL 8 -6.601 -6.300 -6.113 80 HG21 VAL 8 3HG2 VAL 8 -7.864 -7.244 -8.204 81 HG22 VAL 8 1HG2 VAL 8 -8.274 -6.095 -9.478 82 HG23 VAL 8 2HG2 VAL 8 -6.584 -6.447 -9.118 83 H ALA 9 H ALA 9 -8.334 -5.320 -4.507 84 HA ALA 9 HA ALA 9 -8.216 -8.082 -4.183 85 HB1 ALA 9 3HB ALA 9 -8.666 -7.532 -1.728 86 HB2 ALA 9 1HB ALA 9 -7.256 -6.789 -2.485 87 HB3 ALA 9 2HB ALA 9 -8.727 -5.847 -2.246 88 H GLY 10 H GLY 10 -10.952 -5.975 -4.390 89 HA2 GLY 10 2HA GLY 10 -12.784 -7.887 -3.202 90 HA3 GLY 10 3HA GLY 10 -13.206 -6.330 -3.899 91 H TYR 11 H TYR 11 -11.905 -6.765 -6.424 92 HA TYR 11 HA TYR 11 -13.981 -7.849 -7.902 93 HB2 TYR 11 2HB TYR 11 -12.358 -6.409 -8.947 94 HB3 TYR 11 3HB TYR 11 -11.058 -7.546 -8.611 95 HD1 TYR 11 HD1 TYR 11 -14.452 -8.206 -9.995 96 HD2 TYR 11 HD2 TYR 11 -10.259 -8.155 -10.716 97 HE1 TYR 11 HE1 TYR 11 -14.821 -9.266 -12.183 98 HE2 TYR 11 HE2 TYR 11 -10.617 -9.213 -12.907 99 HH TYR 11 HH TYR 11 -13.745 -10.426 -13.873 100 H ASP 12 H ASP 12 -10.927 -9.382 -6.930 101 HA ASP 12 HA ASP 12 -11.290 -11.842 -8.181 102 HB2 ASP 12 2HB ASP 12 -9.262 -10.853 -6.834 103 HB3 ASP 12 3HB ASP 12 -10.002 -11.706 -5.482 104 H ILE 13 H ILE 13 -12.707 -10.558 -5.275 105 HA ILE 13 HA ILE 13 -13.735 -13.130 -4.420 106 HB ILE 13 HB ILE 13 -14.430 -10.407 -3.321 107 HG12 ILE 13 2HG1 ILE 13 -12.008 -10.738 -3.224 108 HG13 ILE 13 3HG1 ILE 13 -12.707 -10.838 -1.612 109 HG21 ILE 13 1HG2 ILE 13 -14.877 -11.786 -1.255 110 HG22 ILE 13 2HG2 ILE 13 -16.004 -12.013 -2.590 111 HG23 ILE 13 3HG2 ILE 13 -14.747 -13.212 -2.284 112 HD11 ILE 13 3HD1 ILE 13 -11.102 -12.735 -2.993 113 HD12 ILE 13 1HD1 ILE 13 -11.712 -12.788 -1.340 114 HD13 ILE 13 2HD1 ILE 13 -12.678 -13.452 -2.659 115 H ALA 14 H ALA 14 -14.833 -10.305 -6.151 116 HA ALA 14 HA ALA 14 -17.620 -10.896 -6.002 117 HB1 ALA 14 3HB ALA 14 -16.108 -9.155 -7.945 118 HB2 ALA 14 1HB ALA 14 -17.860 -9.194 -7.750 119 HB3 ALA 14 2HB ALA 14 -16.837 -8.634 -6.426 120 H SER 15 H SER 15 -15.008 -11.905 -8.058 121 HA SER 15 HA SER 15 -16.403 -12.716 -10.331 122 HB2 SER 15 2HB SER 15 -13.774 -12.884 -9.421 123 HB3 SER 15 3HB SER 15 -14.265 -14.564 -9.640 124 HG SER 15 HG SER 15 -14.616 -14.202 -11.757 125 H HIS 16 H HIS 16 -16.065 -14.231 -7.201 126 HA HIS 16 HA HIS 16 -17.380 -16.667 -8.122 127 HB2 HIS 16 2HB HIS 16 -15.857 -15.866 -5.700 128 HB3 HIS 16 3HB HIS 16 -17.105 -17.090 -5.488 129 HD1 HIS 16 HD1 HIS 16 -16.735 -19.375 -6.674 130 HD2 HIS 16 HD2 HIS 16 -13.588 -16.695 -7.084 131 HE1 HIS 16 HE1 HIS 16 -14.804 -20.733 -7.540 132 H LYS 17 H LYS 17 -17.981 -13.844 -6.125 133 HA LYS 17 HA LYS 17 -20.310 -14.623 -4.830 134 HB2 LYS 17 2HB LYS 17 -19.166 -12.546 -4.294 135 HB3 LYS 17 3HB LYS 17 -19.536 -11.897 -5.886 136 HG2 LYS 17 2HG LYS 17 -21.051 -10.903 -4.373 137 HG3 LYS 17 3HG LYS 17 -21.969 -12.100 -5.291 138 HD2 LYS 17 2HD LYS 17 -21.077 -13.567 -3.163 139 HD3 LYS 17 3HD LYS 17 -21.352 -11.985 -2.430 140 HE2 LYS 17 2HE LYS 17 -23.627 -11.965 -3.195 141 HE3 LYS 17 3HE LYS 17 -23.373 -13.437 -4.130 142 HZ1 LYS 17 3HZ LYS 17 -22.673 -13.862 -1.422 143 HZ2 LYS 17 1HZ LYS 17 -23.839 -14.655 -2.357 144 HZ3 LYS 17 2HZ LYS 17 -24.246 -13.246 -1.516 145 H LYS 18 H LYS 18 -19.894 -13.224 -8.058 146 HA LYS 18 HA LYS 18 -22.360 -14.435 -8.933 147 HB2 LYS 18 2HB LYS 18 -22.810 -12.073 -7.854 148 HB3 LYS 18 3HB LYS 18 -22.203 -11.485 -9.396 149 HG2 LYS 18 2HG LYS 18 -24.406 -11.586 -9.902 150 HG3 LYS 18 3HG LYS 18 -23.961 -13.240 -10.325 151 HD2 LYS 18 2HD LYS 18 -24.507 -13.564 -7.711 152 HD3 LYS 18 3HD LYS 18 -25.594 -12.223 -8.081 153 HE2 LYS 18 2HE LYS 18 -26.972 -13.952 -8.618 154 HE3 LYS 18 3HE LYS 18 -26.158 -13.762 -10.170 155 HZ1 LYS 18 3HZ LYS 18 -25.275 -15.665 -8.072 156 HZ2 LYS 18 1HZ LYS 18 -24.713 -15.564 -9.664 157 HZ3 LYS 18 2HZ LYS 18 -26.291 -16.088 -9.357 158 H LYS 19 H LYS 19 -22.164 -15.061 -10.989 159 HA LYS 19 HA LYS 19 -19.919 -13.976 -12.545 160 HB2 LYS 19 2HB LYS 19 -20.039 -16.454 -12.040 161 HB3 LYS 19 3HB LYS 19 -21.454 -16.521 -13.082 162 HG2 LYS 19 2HG LYS 19 -19.206 -15.209 -14.363 163 HG3 LYS 19 3HG LYS 19 -18.832 -16.858 -13.857 164 HD2 LYS 19 2HD LYS 19 -21.326 -16.165 -15.391 165 HD3 LYS 19 3HD LYS 19 -19.804 -16.566 -16.189 166 HE2 LYS 19 2HE LYS 19 -19.784 -18.718 -14.959 167 HE3 LYS 19 3HE LYS 19 -21.366 -18.315 -14.292 168 HZ1 LYS 19 3HZ LYS 19 -22.116 -19.411 -16.077 169 HZ2 LYS 19 1HZ LYS 19 -20.663 -19.259 -16.930 170 HZ3 LYS 19 2HZ LYS 19 -21.775 -17.985 -16.922 171 H THR 20 H THR 20 -23.291 -13.943 -12.333 172 HA THR 20 HA THR 20 -23.499 -12.959 -15.104 173 HB THR 20 HB THR 20 -25.832 -13.710 -15.145 174 HG1 THR 20 HG1 THR 20 -26.758 -14.189 -13.314 175 HG21 THR 20 1HG2 THR 20 -24.800 -16.272 -14.381 176 HG22 THR 20 2HG2 THR 20 -23.542 -15.356 -15.210 177 HG23 THR 20 3HG2 THR 20 -25.095 -15.632 -15.997 178 H GLY 21 H GLY 21 -22.915 -10.876 -14.086 179 HA2 GLY 21 2HA GLY 21 -25.114 -9.669 -12.549 180 HA3 GLY 21 3HA GLY 21 -23.476 -9.042 -12.650 181 H GLY 22 H GLY 22 -25.013 -10.136 -15.550 182 HA2 GLY 22 2HA GLY 22 -26.450 -7.969 -16.418 183 HA3 GLY 22 3HA GLY 22 -24.777 -7.533 -16.728 184 H TYR 23 H TYR 23 -23.643 -8.553 -18.359 185 HA TYR 23 HA TYR 23 -25.187 -10.437 -20.016 186 HB2 TYR 23 2HB TYR 23 -23.360 -8.263 -21.054 187 HB3 TYR 23 3HB TYR 23 -24.321 -9.377 -22.021 188 HD1 TYR 23 HD1 TYR 23 -24.528 -6.538 -19.654 189 HD2 TYR 23 HD2 TYR 23 -26.591 -8.920 -22.512 190 HE1 TYR 23 HE1 TYR 23 -26.391 -4.934 -19.636 191 HE2 TYR 23 HE2 TYR 23 -28.460 -7.321 -22.504 192 HH TYR 23 HH TYR 23 -29.219 -5.380 -21.738 193 HA PRO 24 HA PRO 24 -21.693 -13.093 -19.994 194 HB2 PRO 24 2HB PRO 24 -21.827 -14.188 -22.474 195 HB3 PRO 24 3HB PRO 24 -22.967 -14.590 -21.185 196 HG2 PRO 24 2HG PRO 24 -23.292 -12.691 -23.475 197 HG3 PRO 24 3HG PRO 24 -24.448 -13.866 -22.824 198 HD2 PRO 24 2HD PRO 24 -24.570 -11.226 -22.239 199 HD3 PRO 24 3HD PRO 24 -25.070 -12.482 -21.089 200 H TRP 25 H TRP 25 -21.980 -10.770 -22.603 201 HA TRP 25 HA TRP 25 -19.057 -10.866 -22.964 202 HB2 TRP 25 2HB TRP 25 -19.286 -10.474 -25.212 203 HB3 TRP 25 3HB TRP 25 -20.794 -11.337 -24.921 204 HD1 TRP 25 HD1 TRP 25 -19.466 -8.086 -26.189 205 HE1 TRP 25 HE1 TRP 25 -21.414 -6.499 -26.748 206 HE3 TRP 25 HE3 TRP 25 -23.286 -10.689 -24.004 207 HZ2 TRP 25 HZ2 TRP 25 -24.201 -6.367 -26.318 208 HZ3 TRP 25 HZ3 TRP 25 -25.562 -9.763 -24.122 209 HH2 TRP 25 HH2 TRP 25 -26.009 -7.647 -25.255 210 H GLU 26 H GLU 26 -21.843 -8.857 -22.354 211 HA GLU 26 HA GLU 26 -20.152 -6.462 -22.265 212 HB2 GLU 26 2HB GLU 26 -22.917 -6.965 -22.942 213 HB3 GLU 26 3HB GLU 26 -22.800 -5.745 -21.682 214 HG2 GLU 26 2HG GLU 26 -20.846 -5.090 -23.584 215 HG3 GLU 26 3HG GLU 26 -22.298 -5.511 -24.488 216 H ARG 27 H ARG 27 -19.075 -6.947 -20.315 217 HA ARG 27 HA ARG 27 -20.433 -7.559 -17.900 218 HB2 ARG 27 2HB ARG 27 -17.973 -7.956 -18.453 219 HB3 ARG 27 3HB ARG 27 -17.725 -6.251 -18.098 220 HG2 ARG 27 2HG ARG 27 -19.155 -7.810 -16.044 221 HG3 ARG 27 3HG ARG 27 -17.451 -8.201 -16.284 222 HD2 ARG 27 2HD ARG 27 -16.893 -6.423 -15.078 223 HD3 ARG 27 3HD ARG 27 -17.667 -5.386 -16.274 224 HE ARG 27 HE ARG 27 -19.454 -5.127 -14.857 225 HH11 ARG 27 1HH1 ARG 27 -17.438 -7.731 -13.727 226 HH12 ARG 27 2HH1 ARG 27 -18.265 -7.888 -12.213 227 HH21 ARG 27 1HH2 ARG 27 -20.551 -5.324 -12.866 228 HH22 ARG 27 2HH2 ARG 27 -20.037 -6.519 -11.726 229 H GLY 28 H GLY 28 -19.669 -4.593 -19.545 230 HA2 GLY 28 2HA GLY 28 -21.456 -2.924 -18.479 231 HA3 GLY 28 3HA GLY 28 -20.245 -2.959 -17.207 232 H LYS 29 H LYS 29 -21.272 -1.031 -19.484 233 HA LYS 29 HA LYS 29 -18.587 -0.200 -20.369 234 HB2 LYS 29 2HB LYS 29 -19.770 0.991 -22.212 235 HB3 LYS 29 3HB LYS 29 -19.963 -0.756 -22.262 236 HG2 LYS 29 2HG LYS 29 -22.180 -0.517 -21.222 237 HG3 LYS 29 3HG LYS 29 -21.985 1.237 -21.254 238 HD2 LYS 29 2HD LYS 29 -21.539 -0.139 -23.821 239 HD3 LYS 29 3HD LYS 29 -23.194 -0.192 -23.207 240 HE2 LYS 29 2HE LYS 29 -21.630 2.369 -23.356 241 HE3 LYS 29 3HE LYS 29 -22.558 1.761 -24.727 242 HZ1 LYS 29 3HZ LYS 29 -24.531 2.145 -23.682 243 HZ2 LYS 29 1HZ LYS 29 -23.615 3.393 -22.998 244 HZ3 LYS 29 2HZ LYS 29 -23.891 1.971 -22.126 245 H ALA 30 H ALA 30 -21.621 0.847 -18.949 246 HA ALA 30 HA ALA 30 -20.278 3.163 -17.820 247 HB1 ALA 30 3HB ALA 30 -22.310 4.590 -18.539 248 HB2 ALA 30 1HB ALA 30 -21.023 4.287 -19.706 249 HB3 ALA 30 2HB ALA 30 -22.524 3.363 -19.788 Start of MODEL 12 1 H1 MET 1 H MET 1 3.622 1.085 -1.277 2 HA MET 1 HA MET 1 1.841 -0.394 -1.035 3 HB2 MET 1 2HB MET 1 1.344 1.436 1.195 4 HB3 MET 1 3HB MET 1 -0.131 0.838 0.445 5 HG2 MET 1 2HG MET 1 2.106 -0.910 1.442 6 HG3 MET 1 3HG MET 1 0.648 -0.525 2.353 7 HE1 MET 1 3HE MET 1 -1.971 -1.218 0.027 8 HE2 MET 1 1HE MET 1 -2.034 -2.501 1.236 9 HE3 MET 1 2HE MET 1 -1.540 -0.873 1.703 10 H LYS 2 H LYS 2 -0.029 -0.580 -2.262 11 HA LYS 2 HA LYS 2 -0.780 1.857 -3.734 12 HB2 LYS 2 2HB LYS 2 -0.649 -1.036 -4.523 13 HB3 LYS 2 3HB LYS 2 -1.690 0.076 -5.403 14 HG2 LYS 2 2HG LYS 2 1.016 1.090 -5.032 15 HG3 LYS 2 3HG LYS 2 0.951 -0.424 -5.938 16 HD2 LYS 2 2HD LYS 2 -0.088 0.527 -7.707 17 HD3 LYS 2 3HD LYS 2 -1.044 1.613 -6.695 18 HE2 LYS 2 2HE LYS 2 1.848 2.148 -6.727 19 HE3 LYS 2 3HE LYS 2 1.025 2.393 -8.267 20 HZ1 LYS 2 3HZ LYS 2 0.597 4.403 -7.402 21 HZ2 LYS 2 1HZ LYS 2 0.824 3.901 -5.802 22 HZ3 LYS 2 2HZ LYS 2 -0.650 3.609 -6.580 23 H THR 3 H THR 3 -2.550 2.689 -2.806 24 HA THR 3 HA THR 3 -4.470 1.374 -1.310 25 HB THR 3 HB THR 3 -5.814 3.463 -2.672 26 HG1 THR 3 HG1 THR 3 -4.196 5.141 -2.285 27 HG21 THR 3 1HG2 THR 3 -5.283 4.649 -0.434 28 HG22 THR 3 2HG2 THR 3 -4.541 3.115 0.021 29 HG23 THR 3 3HG2 THR 3 -6.251 3.176 -0.400 30 H ILE 4 H ILE 4 -4.126 1.587 -4.762 31 HA ILE 4 HA ILE 4 -6.742 0.938 -5.543 32 HB ILE 4 HB ILE 4 -5.782 0.214 -7.668 33 HG12 ILE 4 2HG1 ILE 4 -3.044 0.774 -7.379 34 HG13 ILE 4 3HG1 ILE 4 -3.458 -0.253 -6.011 35 HG21 ILE 4 1HG2 ILE 4 -5.792 2.713 -6.699 36 HG22 ILE 4 2HG2 ILE 4 -4.073 2.542 -7.048 37 HG23 ILE 4 3HG2 ILE 4 -5.261 2.314 -8.331 38 HD11 ILE 4 3HD1 ILE 4 -3.686 -0.852 -8.936 39 HD12 ILE 4 1HD1 ILE 4 -2.785 -1.722 -7.694 40 HD13 ILE 4 2HD1 ILE 4 -4.547 -1.795 -7.719 41 H LEU 5 H LEU 5 -4.187 -0.995 -4.231 42 HA LEU 5 HA LEU 5 -4.896 -3.533 -5.135 43 HB2 LEU 5 2HB LEU 5 -3.776 -2.757 -2.446 44 HB3 LEU 5 3HB LEU 5 -3.770 -4.381 -3.129 45 HG LEU 5 HG LEU 5 -2.356 -2.060 -4.424 46 HD11 LEU 5 1HD1 LEU 5 -1.691 -3.020 -1.963 47 HD12 LEU 5 2HD1 LEU 5 -0.562 -2.293 -3.107 48 HD13 LEU 5 3HD1 LEU 5 -0.728 -4.048 -3.025 49 HD21 LEU 5 3HD2 LEU 5 -2.974 -4.196 -5.694 50 HD22 LEU 5 1HD2 LEU 5 -1.763 -4.989 -4.686 51 HD23 LEU 5 2HD2 LEU 5 -1.294 -3.664 -5.751 52 H ARG 6 H ARG 6 -6.050 -1.728 -2.307 53 HA ARG 6 HA ARG 6 -7.657 -3.684 -1.166 54 HB2 ARG 6 2HB ARG 6 -7.775 -0.687 -1.198 55 HB3 ARG 6 3HB ARG 6 -9.062 -1.610 -0.431 56 HG2 ARG 6 2HG ARG 6 -7.105 -2.785 0.817 57 HG3 ARG 6 3HG ARG 6 -6.197 -1.346 0.351 58 HD2 ARG 6 2HD ARG 6 -7.108 -0.969 2.527 59 HD3 ARG 6 3HD ARG 6 -8.000 0.035 1.384 60 HE ARG 6 HE ARG 6 -9.892 -1.138 1.896 61 HH11 ARG 6 1HH1 ARG 6 -7.117 -2.956 2.951 62 HH12 ARG 6 2HH1 ARG 6 -8.054 -4.162 3.770 63 HH21 ARG 6 1HH2 ARG 6 -11.138 -2.719 2.971 64 HH22 ARG 6 2HH2 ARG 6 -10.341 -4.026 3.780 65 H PHE 7 H PHE 7 -8.214 -1.657 -3.953 66 HA PHE 7 HA PHE 7 -11.017 -2.179 -4.145 67 HB2 PHE 7 2HB PHE 7 -9.039 -1.141 -6.184 68 HB3 PHE 7 3HB PHE 7 -10.781 -1.204 -6.430 69 HD1 PHE 7 HD1 PHE 7 -8.143 0.270 -4.288 70 HD2 PHE 7 HD2 PHE 7 -12.163 0.516 -5.664 71 HE1 PHE 7 HE1 PHE 7 -8.366 2.480 -3.230 72 HE2 PHE 7 HE2 PHE 7 -12.392 2.727 -4.610 73 HZ PHE 7 HZ PHE 7 -10.493 3.713 -3.391 74 H VAL 8 H VAL 8 -8.283 -3.218 -6.193 75 HA VAL 8 HA VAL 8 -9.688 -5.110 -7.684 76 HB VAL 8 HB VAL 8 -7.398 -4.244 -8.212 77 HG11 VAL 8 1HG1 VAL 8 -5.470 -5.387 -7.219 78 HG12 VAL 8 2HG1 VAL 8 -6.396 -4.500 -6.007 79 HG13 VAL 8 3HG1 VAL 8 -6.551 -6.252 -6.127 80 HG21 VAL 8 3HG2 VAL 8 -8.410 -6.205 -9.343 81 HG22 VAL 8 1HG2 VAL 8 -6.649 -6.270 -9.280 82 HG23 VAL 8 2HG2 VAL 8 -7.608 -7.253 -8.174 83 H ALA 9 H ALA 9 -8.284 -5.311 -4.499 84 HA ALA 9 HA ALA 9 -8.098 -8.067 -4.173 85 HB1 ALA 9 3HB ALA 9 -8.227 -5.734 -2.421 86 HB2 ALA 9 1HB ALA 9 -8.867 -7.208 -1.693 87 HB3 ALA 9 2HB ALA 9 -7.218 -7.177 -2.320 88 H GLY 10 H GLY 10 -10.885 -6.024 -4.345 89 HA2 GLY 10 2HA GLY 10 -12.656 -7.984 -3.136 90 HA3 GLY 10 3HA GLY 10 -13.123 -6.431 -3.815 91 H TYR 11 H TYR 11 -11.799 -6.869 -6.356 92 HA TYR 11 HA TYR 11 -13.881 -7.944 -7.832 93 HB2 TYR 11 2HB TYR 11 -12.243 -6.518 -8.877 94 HB3 TYR 11 3HB TYR 11 -10.956 -7.671 -8.542 95 HD1 TYR 11 HD2 TYR 11 -14.362 -8.265 -9.931 96 HD2 TYR 11 HD1 TYR 11 -10.166 -8.313 -10.638 97 HE1 TYR 11 HE2 TYR 11 -14.748 -9.323 -12.119 98 HE2 TYR 11 HE1 TYR 11 -10.540 -9.369 -12.827 99 HH TYR 11 HH TYR 11 -12.188 -10.645 -13.998 100 H ASP 12 H ASP 12 -10.853 -9.496 -6.820 101 HA ASP 12 HA ASP 12 -11.195 -11.952 -8.074 102 HB2 ASP 12 2HB ASP 12 -9.196 -10.997 -6.688 103 HB3 ASP 12 3HB ASP 12 -9.992 -11.787 -5.330 104 H ILE 13 H ILE 13 -12.692 -10.666 -5.206 105 HA ILE 13 HA ILE 13 -13.771 -13.232 -4.396 106 HB ILE 13 HB ILE 13 -14.487 -10.515 -3.302 107 HG12 ILE 13 2HG1 ILE 13 -12.073 -10.817 -3.138 108 HG13 ILE 13 3HG1 ILE 13 -12.807 -10.966 -1.545 109 HG21 ILE 13 1HG2 ILE 13 -15.932 -11.667 -2.072 110 HG22 ILE 13 2HG2 ILE 13 -15.361 -13.189 -2.754 111 HG23 ILE 13 3HG2 ILE 13 -14.571 -12.509 -1.332 112 HD11 ILE 13 3HD1 ILE 13 -11.651 -12.844 -1.335 113 HD12 ILE 13 1HD1 ILE 13 -12.768 -13.556 -2.499 114 HD13 ILE 13 2HD1 ILE 13 -11.239 -12.870 -3.049 115 H ALA 14 H ALA 14 -14.824 -10.336 -6.065 116 HA ALA 14 HA ALA 14 -17.606 -10.922 -6.028 117 HB1 ALA 14 3HB ALA 14 -17.861 -9.121 -7.537 118 HB2 ALA 14 1HB ALA 14 -16.542 -8.670 -6.456 119 HB3 ALA 14 2HB ALA 14 -16.190 -9.246 -8.087 120 H SER 15 H SER 15 -14.951 -11.985 -7.981 121 HA SER 15 HA SER 15 -16.184 -12.708 -10.347 122 HB2 SER 15 2HB SER 15 -13.964 -14.106 -8.840 123 HB3 SER 15 3HB SER 15 -14.427 -14.494 -10.498 124 HG SER 15 HG SER 15 -13.760 -11.860 -9.735 125 H HIS 16 H HIS 16 -16.247 -14.304 -7.227 126 HA HIS 16 HA HIS 16 -17.886 -16.467 -8.347 127 HB2 HIS 16 2HB HIS 16 -16.422 -16.209 -5.717 128 HB3 HIS 16 3HB HIS 16 -17.520 -17.534 -6.086 129 HD1 HIS 16 HD1 HIS 16 -16.074 -19.507 -6.462 130 HD2 HIS 16 HD2 HIS 16 -14.582 -16.112 -8.334 131 HE1 HIS 16 HE1 HIS 16 -14.067 -20.285 -7.763 132 H LYS 17 H LYS 17 -17.851 -14.029 -5.781 133 HA LYS 17 HA LYS 17 -20.348 -14.614 -4.656 134 HB2 LYS 17 2HB LYS 17 -18.764 -12.052 -4.813 135 HB3 LYS 17 3HB LYS 17 -20.281 -12.172 -3.931 136 HG2 LYS 17 2HG LYS 17 -18.001 -14.034 -3.373 137 HG3 LYS 17 3HG LYS 17 -18.101 -12.439 -2.624 138 HD2 LYS 17 2HD LYS 17 -19.610 -13.154 -1.150 139 HD3 LYS 17 3HD LYS 17 -20.622 -13.829 -2.431 140 HE2 LYS 17 2HE LYS 17 -18.161 -15.228 -1.418 141 HE3 LYS 17 3HE LYS 17 -19.741 -15.444 -0.667 142 HZ1 LYS 17 3HZ LYS 17 -19.184 -15.944 -3.539 143 HZ2 LYS 17 1HZ LYS 17 -20.611 -16.300 -2.702 144 HZ3 LYS 17 2HZ LYS 17 -19.191 -17.148 -2.351 145 H LYS 18 H LYS 18 -19.699 -11.734 -6.644 146 HA LYS 18 HA LYS 18 -22.453 -11.894 -7.643 147 HB2 LYS 18 2HB LYS 18 -20.769 -9.740 -6.804 148 HB3 LYS 18 3HB LYS 18 -21.186 -9.499 -8.495 149 HG2 LYS 18 2HG LYS 18 -23.224 -8.824 -7.957 150 HG3 LYS 18 3HG LYS 18 -23.512 -10.285 -7.007 151 HD2 LYS 18 2HD LYS 18 -22.830 -9.301 -5.040 152 HD3 LYS 18 3HD LYS 18 -21.804 -8.123 -5.861 153 HE2 LYS 18 2HE LYS 18 -24.788 -8.062 -6.155 154 HE3 LYS 18 3HE LYS 18 -23.992 -7.306 -4.777 155 HZ1 LYS 18 3HZ LYS 18 -22.660 -6.004 -6.370 156 HZ2 LYS 18 1HZ LYS 18 -24.317 -5.685 -6.487 157 HZ3 LYS 18 2HZ LYS 18 -23.561 -6.662 -7.642 158 H LYS 19 H LYS 19 -22.403 -13.255 -9.365 159 HA LYS 19 HA LYS 19 -20.383 -12.814 -11.443 160 HB2 LYS 19 2HB LYS 19 -20.924 -15.132 -10.459 161 HB3 LYS 19 3HB LYS 19 -22.403 -15.044 -11.406 162 HG2 LYS 19 2HG LYS 19 -20.271 -14.374 -13.130 163 HG3 LYS 19 3HG LYS 19 -19.791 -15.814 -12.230 164 HD2 LYS 19 2HD LYS 19 -22.432 -15.525 -13.653 165 HD3 LYS 19 3HD LYS 19 -21.005 -16.272 -14.373 166 HE2 LYS 19 2HE LYS 19 -21.276 -18.169 -13.212 167 HE3 LYS 19 3HE LYS 19 -21.663 -17.309 -11.723 168 HZ1 LYS 19 3HZ LYS 19 -23.459 -18.751 -12.842 169 HZ2 LYS 19 1HZ LYS 19 -23.636 -17.448 -13.906 170 HZ3 LYS 19 2HZ LYS 19 -23.893 -17.227 -12.249 171 H THR 20 H THR 20 -23.596 -12.088 -10.695 172 HA THR 20 HA THR 20 -24.008 -10.857 -13.259 173 HB THR 20 HB THR 20 -24.767 -13.012 -13.936 174 HG1 THR 20 HG1 THR 20 -26.962 -12.540 -14.354 175 HG21 THR 20 1HG2 THR 20 -26.474 -14.271 -12.700 176 HG22 THR 20 2HG2 THR 20 -26.456 -13.047 -11.432 177 HG23 THR 20 3HG2 THR 20 -25.024 -14.029 -11.730 178 H GLY 21 H GLY 21 -25.551 -9.244 -13.202 179 HA2 GLY 21 2HA GLY 21 -27.546 -9.015 -11.202 180 HA3 GLY 21 3HA GLY 21 -26.141 -8.057 -10.755 181 H GLY 22 H GLY 22 -28.403 -8.607 -13.446 182 HA2 GLY 22 2HA GLY 22 -28.310 -5.704 -13.956 183 HA3 GLY 22 3HA GLY 22 -28.173 -6.846 -15.285 184 H TYR 23 H TYR 23 -30.306 -5.504 -12.857 185 HA TYR 23 HA TYR 23 -32.602 -6.885 -14.026 186 HB2 TYR 23 2HB TYR 23 -32.514 -5.042 -11.630 187 HB3 TYR 23 3HB TYR 23 -33.861 -6.065 -12.120 188 HD1 TYR 23 HD2 TYR 23 -30.397 -6.115 -10.816 189 HD2 TYR 23 HD1 TYR 23 -33.967 -8.337 -11.467 190 HE1 TYR 23 HE2 TYR 23 -29.511 -7.937 -9.420 191 HE2 TYR 23 HE1 TYR 23 -33.091 -10.164 -10.072 192 HH TYR 23 HH TYR 23 -31.345 -10.938 -8.934 193 HA PRO 24 HA PRO 24 -34.041 -3.461 -16.364 194 HB2 PRO 24 2HB PRO 24 -36.730 -3.708 -16.093 195 HB3 PRO 24 3HB PRO 24 -35.758 -4.811 -17.074 196 HG2 PRO 24 2HG PRO 24 -36.802 -5.170 -14.291 197 HG3 PRO 24 3HG PRO 24 -36.763 -6.332 -15.630 198 HD2 PRO 24 2HD PRO 24 -34.950 -6.367 -13.621 199 HD3 PRO 24 3HD PRO 24 -34.547 -6.857 -15.279 200 H TRP 25 H TRP 25 -35.153 -3.781 -13.055 201 HA TRP 25 HA TRP 25 -35.640 -0.875 -12.975 202 HB2 TRP 25 2HB TRP 25 -37.392 -1.173 -11.524 203 HB3 TRP 25 3HB TRP 25 -37.499 -2.690 -12.412 204 HD1 TRP 25 HD1 TRP 25 -37.058 -1.328 -8.964 205 HE1 TRP 25 HE1 TRP 25 -36.680 -3.254 -7.300 206 HE3 TRP 25 HE3 TRP 25 -36.274 -5.132 -12.289 207 HZ2 TRP 25 HZ2 TRP 25 -36.123 -6.020 -7.385 208 HZ3 TRP 25 HZ3 TRP 25 -35.826 -7.388 -11.416 209 HH2 TRP 25 HH2 TRP 25 -35.750 -7.820 -9.014 210 H GLU 26 H GLU 26 -34.001 -3.586 -11.514 211 HA GLU 26 HA GLU 26 -32.817 -1.835 -9.482 212 HB2 GLU 26 2HB GLU 26 -33.536 -4.633 -9.573 213 HB3 GLU 26 3HB GLU 26 -31.844 -4.442 -9.133 214 HG2 GLU 26 2HG GLU 26 -33.264 -2.540 -7.637 215 HG3 GLU 26 3HG GLU 26 -34.188 -4.039 -7.547 216 H ARG 27 H ARG 27 -31.407 -0.702 -10.868 217 HA ARG 27 HA ARG 27 -28.951 -2.158 -11.442 218 HB2 ARG 27 2HB ARG 27 -30.790 -1.504 -13.485 219 HB3 ARG 27 3HB ARG 27 -29.446 -0.378 -13.642 220 HG2 ARG 27 2HG ARG 27 -29.100 -3.360 -13.455 221 HG3 ARG 27 3HG ARG 27 -29.243 -2.481 -14.979 222 HD2 ARG 27 2HD ARG 27 -27.144 -1.979 -12.871 223 HD3 ARG 27 3HD ARG 27 -26.900 -2.923 -14.339 224 HE ARG 27 HE ARG 27 -27.864 -0.304 -14.912 225 HH11 ARG 27 1HH1 ARG 27 -25.010 -2.112 -14.072 226 HH12 ARG 27 2HH1 ARG 27 -23.920 -0.984 -14.807 227 HH21 ARG 27 1HH2 ARG 27 -26.439 1.190 -15.882 228 HH22 ARG 27 2HH2 ARG 27 -24.733 0.895 -15.835 229 H GLY 28 H GLY 28 -27.416 -1.048 -10.434 230 HA2 GLY 28 2HA GLY 28 -26.261 1.243 -10.850 231 HA3 GLY 28 3HA GLY 28 -27.736 1.855 -10.118 232 H LYS 29 H LYS 29 -24.728 1.637 -9.370 233 HA LYS 29 HA LYS 29 -24.802 0.157 -6.897 234 HB2 LYS 29 2HB LYS 29 -22.745 1.865 -8.270 235 HB3 LYS 29 3HB LYS 29 -22.511 1.334 -6.610 236 HG2 LYS 29 2HG LYS 29 -23.272 -0.908 -8.201 237 HG3 LYS 29 3HG LYS 29 -21.935 -0.062 -8.984 238 HD2 LYS 29 2HD LYS 29 -20.540 -0.311 -7.104 239 HD3 LYS 29 3HD LYS 29 -21.892 -0.749 -6.058 240 HE2 LYS 29 2HE LYS 29 -20.968 -2.813 -6.434 241 HE3 LYS 29 3HE LYS 29 -22.137 -2.741 -7.752 242 HZ1 LYS 29 3HZ LYS 29 -19.374 -3.079 -7.927 243 HZ2 LYS 29 1HZ LYS 29 -19.734 -1.575 -8.611 244 HZ3 LYS 29 2HZ LYS 29 -20.492 -2.971 -9.192 245 H ALA 30 H ALA 30 -23.813 3.533 -7.435 246 HA ALA 30 HA ALA 30 -25.215 4.239 -4.943 247 HB1 ALA 30 3HB ALA 30 -22.703 4.521 -5.062 248 HB2 ALA 30 1HB ALA 30 -22.997 5.821 -6.216 249 HB3 ALA 30 2HB ALA 30 -23.624 5.943 -4.572 Start of MODEL 13 1 H1 MET 1 H MET 1 1.845 1.974 0.508 2 HA MET 1 HA MET 1 2.098 -0.357 -0.661 3 HB2 MET 1 2HB MET 1 0.874 -1.126 1.592 4 HB3 MET 1 3HB MET 1 -0.549 -0.841 0.599 5 HG2 MET 1 2HG MET 1 -0.281 -2.798 -0.383 6 HG3 MET 1 3HG MET 1 1.324 -2.324 -0.934 7 HE1 MET 1 3HE MET 1 -0.690 -3.956 2.094 8 HE2 MET 1 1HE MET 1 -0.526 -4.945 0.642 9 HE3 MET 1 2HE MET 1 0.284 -5.426 2.132 10 H LYS 2 H LYS 2 0.378 -0.952 -2.309 11 HA LYS 2 HA LYS 2 -0.599 1.476 -3.491 12 HB2 LYS 2 2HB LYS 2 -0.573 -1.412 -4.308 13 HB3 LYS 2 3HB LYS 2 -1.539 -0.244 -5.203 14 HG2 LYS 2 2HG LYS 2 0.345 0.949 -5.906 15 HG3 LYS 2 3HG LYS 2 1.382 0.198 -4.690 16 HD2 LYS 2 2HD LYS 2 1.805 -1.578 -5.991 17 HD3 LYS 2 3HD LYS 2 0.122 -1.720 -6.500 18 HE2 LYS 2 2HE LYS 2 1.491 0.618 -7.595 19 HE3 LYS 2 3HE LYS 2 2.210 -0.915 -8.085 20 HZ1 LYS 2 3HZ LYS 2 -0.600 -0.045 -8.470 21 HZ2 LYS 2 1HZ LYS 2 -0.068 -1.627 -8.747 22 HZ3 LYS 2 2HZ LYS 2 0.555 -0.352 -9.667 23 H THR 3 H THR 3 -2.355 2.374 -2.596 24 HA THR 3 HA THR 3 -4.368 1.127 -1.166 25 HB THR 3 HB THR 3 -5.610 3.275 -2.503 26 HG1 THR 3 HG1 THR 3 -4.006 4.893 -2.326 27 HG21 THR 3 1HG2 THR 3 -4.889 4.426 -0.244 28 HG22 THR 3 2HG2 THR 3 -4.388 2.788 0.174 29 HG23 THR 3 3HG2 THR 3 -6.067 3.114 -0.255 30 H ILE 4 H ILE 4 -3.926 1.365 -4.606 31 HA ILE 4 HA ILE 4 -6.546 0.839 -5.461 32 HB ILE 4 HB ILE 4 -5.562 0.096 -7.569 33 HG12 ILE 4 2HG1 ILE 4 -2.812 0.535 -7.202 34 HG13 ILE 4 3HG1 ILE 4 -3.304 -0.488 -5.857 35 HG21 ILE 4 1HG2 ILE 4 -4.332 2.131 -8.121 36 HG22 ILE 4 2HG2 ILE 4 -5.740 2.489 -7.123 37 HG23 ILE 4 3HG2 ILE 4 -4.129 2.481 -6.405 38 HD11 ILE 4 3HD1 ILE 4 -3.466 -1.046 -8.794 39 HD12 ILE 4 1HD1 ILE 4 -2.658 -1.973 -7.530 40 HD13 ILE 4 2HD1 ILE 4 -4.419 -1.956 -7.621 41 H LEU 5 H LEU 5 -4.111 -1.220 -4.109 42 HA LEU 5 HA LEU 5 -4.907 -3.714 -5.061 43 HB2 LEU 5 2HB LEU 5 -3.825 -3.017 -2.335 44 HB3 LEU 5 3HB LEU 5 -3.871 -4.633 -3.038 45 HG LEU 5 HG LEU 5 -2.325 -2.360 -4.267 46 HD11 LEU 5 1HD1 LEU 5 -1.770 -3.389 -1.800 47 HD12 LEU 5 2HD1 LEU 5 -0.587 -2.676 -2.896 48 HD13 LEU 5 3HD1 LEU 5 -0.812 -4.425 -2.858 49 HD21 LEU 5 3HD2 LEU 5 -1.298 -3.994 -5.585 50 HD22 LEU 5 1HD2 LEU 5 -3.001 -4.456 -5.575 51 HD23 LEU 5 2HD2 LEU 5 -1.850 -5.310 -4.548 52 H ARG 6 H ARG 6 -6.055 -1.892 -2.243 53 HA ARG 6 HA ARG 6 -7.775 -3.787 -1.168 54 HB2 ARG 6 2HB ARG 6 -7.613 -0.819 -1.102 55 HB3 ARG 6 3HB ARG 6 -9.121 -1.554 -0.571 56 HG2 ARG 6 2HG ARG 6 -7.561 -3.042 0.890 57 HG3 ARG 6 3HG ARG 6 -6.398 -1.740 0.628 58 HD2 ARG 6 2HD ARG 6 -7.802 -0.148 1.661 59 HD3 ARG 6 3HD ARG 6 -9.192 -1.230 1.611 60 HE ARG 6 HE ARG 6 -7.168 -2.417 3.151 61 HH11 ARG 6 1HH1 ARG 6 -9.394 0.258 3.258 62 HH12 ARG 6 2HH1 ARG 6 -9.498 0.271 4.987 63 HH21 ARG 6 1HH2 ARG 6 -7.297 -2.409 5.429 64 HH22 ARG 6 2HH2 ARG 6 -8.305 -1.246 6.221 65 H PHE 7 H PHE 7 -8.170 -1.706 -3.943 66 HA PHE 7 HA PHE 7 -10.987 -2.104 -4.215 67 HB2 PHE 7 2HB PHE 7 -8.913 -1.129 -6.189 68 HB3 PHE 7 3HB PHE 7 -10.650 -1.112 -6.480 69 HD1 PHE 7 HD1 PHE 7 -8.006 0.217 -4.250 70 HD2 PHE 7 HD2 PHE 7 -11.972 0.661 -5.728 71 HE1 PHE 7 HE1 PHE 7 -8.158 2.422 -3.169 72 HE2 PHE 7 HE2 PHE 7 -12.131 2.867 -4.651 73 HZ PHE 7 HZ PHE 7 -10.222 3.750 -3.370 74 H VAL 8 H VAL 8 -8.248 -3.235 -6.205 75 HA VAL 8 HA VAL 8 -9.692 -5.047 -7.757 76 HB VAL 8 HB VAL 8 -7.353 -4.275 -8.212 77 HG11 VAL 8 1HG1 VAL 8 -5.504 -5.513 -7.184 78 HG12 VAL 8 2HG1 VAL 8 -6.424 -4.602 -5.984 79 HG13 VAL 8 3HG1 VAL 8 -6.649 -6.345 -6.133 80 HG21 VAL 8 3HG2 VAL 8 -7.652 -7.274 -8.219 81 HG22 VAL 8 1HG2 VAL 8 -8.442 -6.197 -9.370 82 HG23 VAL 8 2HG2 VAL 8 -6.682 -6.293 -9.316 83 H ALA 9 H ALA 9 -8.384 -5.346 -4.538 84 HA ALA 9 HA ALA 9 -8.327 -8.113 -4.244 85 HB1 ALA 9 3HB ALA 9 -9.110 -7.267 -1.772 86 HB2 ALA 9 1HB ALA 9 -7.449 -7.266 -2.366 87 HB3 ALA 9 2HB ALA 9 -8.420 -5.796 -2.458 88 H GLY 10 H GLY 10 -11.017 -5.948 -4.462 89 HA2 GLY 10 2HA GLY 10 -12.905 -7.826 -3.314 90 HA3 GLY 10 3HA GLY 10 -13.283 -6.259 -4.013 91 H TYR 11 H TYR 11 -11.928 -6.743 -6.515 92 HA TYR 11 HA TYR 11 -14.008 -7.765 -8.036 93 HB2 TYR 11 2HB TYR 11 -12.338 -6.379 -9.064 94 HB3 TYR 11 3HB TYR 11 -11.064 -7.529 -8.674 95 HD1 TYR 11 HD1 TYR 11 -14.426 -8.150 -10.154 96 HD2 TYR 11 HD2 TYR 11 -10.212 -8.192 -10.740 97 HE1 TYR 11 HE1 TYR 11 -14.748 -9.235 -12.338 98 HE2 TYR 11 HE2 TYR 11 -10.521 -9.277 -12.926 99 HH TYR 11 HH TYR 11 -13.085 -9.271 -14.636 100 H ASP 12 H ASP 12 -11.052 -9.387 -6.932 101 HA ASP 12 HA ASP 12 -11.477 -11.844 -8.206 102 HB2 ASP 12 2HB ASP 12 -9.372 -11.010 -7.011 103 HB3 ASP 12 3HB ASP 12 -10.138 -11.551 -5.520 104 H ILE 13 H ILE 13 -12.840 -10.486 -5.307 105 HA ILE 13 HA ILE 13 -13.917 -13.000 -4.375 106 HB ILE 13 HB ILE 13 -14.597 -10.215 -3.430 107 HG12 ILE 13 2HG1 ILE 13 -12.178 -10.661 -3.256 108 HG13 ILE 13 3HG1 ILE 13 -12.937 -10.567 -1.671 109 HG21 ILE 13 1HG2 ILE 13 -15.065 -12.962 -2.308 110 HG22 ILE 13 2HG2 ILE 13 -15.124 -11.511 -1.308 111 HG23 ILE 13 3HG2 ILE 13 -16.247 -11.700 -2.654 112 HD11 ILE 13 3HD1 ILE 13 -11.387 -12.666 -2.792 113 HD12 ILE 13 1HD1 ILE 13 -12.068 -12.531 -1.172 114 HD13 ILE 13 2HD1 ILE 13 -13.011 -13.269 -2.466 115 H ALA 14 H ALA 14 -15.044 -10.177 -6.136 116 HA ALA 14 HA ALA 14 -17.809 -10.878 -6.065 117 HB1 ALA 14 3HB ALA 14 -18.115 -8.872 -6.989 118 HB2 ALA 14 1HB ALA 14 -16.378 -8.638 -6.786 119 HB3 ALA 14 2HB ALA 14 -17.015 -9.226 -8.322 120 H SER 15 H SER 15 -15.115 -11.780 -8.041 121 HA SER 15 HA SER 15 -16.499 -12.599 -10.356 122 HB2 SER 15 2HB SER 15 -13.975 -12.275 -10.051 123 HB3 SER 15 3HB SER 15 -13.968 -13.890 -9.343 124 HG SER 15 HG SER 15 -14.636 -14.737 -11.267 125 H HIS 16 H HIS 16 -15.772 -14.215 -7.321 126 HA HIS 16 HA HIS 16 -17.202 -16.604 -8.266 127 HB2 HIS 16 2HB HIS 16 -15.108 -16.170 -6.163 128 HB3 HIS 16 3HB HIS 16 -16.185 -17.559 -6.056 129 HD1 HIS 16 HD1 HIS 16 -13.692 -18.730 -6.336 130 HD2 HIS 16 HD2 HIS 16 -15.407 -16.985 -9.694 131 HE1 HIS 16 HE1 HIS 16 -12.485 -19.728 -8.304 132 H LYS 17 H LYS 17 -18.388 -14.043 -7.312 133 HA LYS 17 HA LYS 17 -19.444 -14.355 -4.721 134 HB2 LYS 17 2HB LYS 17 -19.412 -12.250 -6.152 135 HB3 LYS 17 3HB LYS 17 -20.808 -12.914 -6.992 136 HG2 LYS 17 2HG LYS 17 -21.558 -13.127 -4.373 137 HG3 LYS 17 3HG LYS 17 -20.622 -11.631 -4.379 138 HD2 LYS 17 2HD LYS 17 -22.597 -12.035 -6.560 139 HD3 LYS 17 3HD LYS 17 -23.218 -11.680 -4.946 140 HE2 LYS 17 2HE LYS 17 -22.036 -9.625 -4.852 141 HE3 LYS 17 3HE LYS 17 -21.089 -10.026 -6.284 142 HZ1 LYS 17 3HZ LYS 17 -22.617 -8.769 -7.309 143 HZ2 LYS 17 1HZ LYS 17 -23.769 -8.948 -6.082 144 HZ3 LYS 17 2HZ LYS 17 -23.577 -10.160 -7.245 145 H LYS 18 H LYS 18 -20.868 -15.074 -7.904 146 HA LYS 18 HA LYS 18 -22.543 -17.107 -6.614 147 HB2 LYS 18 2HB LYS 18 -23.893 -15.043 -6.905 148 HB3 LYS 18 3HB LYS 18 -23.575 -15.108 -8.634 149 HG2 LYS 18 2HG LYS 18 -25.197 -16.588 -8.969 150 HG3 LYS 18 3HG LYS 18 -24.647 -17.607 -7.636 151 HD2 LYS 18 2HD LYS 18 -26.834 -16.913 -7.067 152 HD3 LYS 18 3HD LYS 18 -25.745 -15.932 -6.083 153 HE2 LYS 18 2HE LYS 18 -26.559 -14.060 -6.961 154 HE3 LYS 18 3HE LYS 18 -26.227 -14.634 -8.595 155 HZ1 LYS 18 3HZ LYS 18 -28.712 -14.453 -7.224 156 HZ2 LYS 18 1HZ LYS 18 -28.446 -16.029 -7.777 157 HZ3 LYS 18 2HZ LYS 18 -28.413 -14.735 -8.864 158 H LYS 19 H LYS 19 -20.663 -18.303 -7.619 159 HA LYS 19 HA LYS 19 -21.017 -18.712 -10.503 160 HB2 LYS 19 2HB LYS 19 -18.732 -18.225 -9.632 161 HB3 LYS 19 3HB LYS 19 -18.804 -19.718 -8.705 162 HG2 LYS 19 2HG LYS 19 -19.408 -20.132 -11.513 163 HG3 LYS 19 3HG LYS 19 -17.812 -19.422 -11.257 164 HD2 LYS 19 2HD LYS 19 -16.993 -21.340 -10.459 165 HD3 LYS 19 3HD LYS 19 -18.368 -21.559 -9.374 166 HE2 LYS 19 2HE LYS 19 -19.347 -23.020 -10.753 167 HE3 LYS 19 3HE LYS 19 -19.059 -22.004 -12.164 168 HZ1 LYS 19 3HZ LYS 19 -17.015 -22.974 -12.550 169 HZ2 LYS 19 1HZ LYS 19 -17.930 -24.296 -12.020 170 HZ3 LYS 19 2HZ LYS 19 -16.847 -23.538 -10.964 171 H THR 20 H THR 20 -21.805 -20.080 -7.516 172 HA THR 20 HA THR 20 -23.135 -22.286 -8.695 173 HB THR 20 HB THR 20 -20.977 -23.320 -8.873 174 HG1 THR 20 HG1 THR 20 -22.021 -24.436 -6.492 175 HG21 THR 20 1HG2 THR 20 -19.451 -23.575 -7.023 176 HG22 THR 20 2HG2 THR 20 -20.593 -22.803 -5.923 177 HG23 THR 20 3HG2 THR 20 -19.834 -21.864 -7.209 178 H GLY 21 H GLY 21 -24.735 -22.972 -7.380 179 HA2 GLY 21 2HA GLY 21 -26.017 -23.241 -5.488 180 HA3 GLY 21 3HA GLY 21 -24.555 -23.010 -4.541 181 H GLY 22 H GLY 22 -27.433 -21.564 -5.750 182 HA2 GLY 22 2HA GLY 22 -26.635 -18.901 -4.832 183 HA3 GLY 22 3HA GLY 22 -28.098 -19.295 -5.723 184 H TYR 23 H TYR 23 -29.761 -20.546 -4.535 185 HA TYR 23 HA TYR 23 -29.723 -19.909 -1.658 186 HB2 TYR 23 2HB TYR 23 -32.143 -19.813 -3.470 187 HB3 TYR 23 3HB TYR 23 -32.092 -19.387 -1.762 188 HD1 TYR 23 HD1 TYR 23 -30.914 -18.380 -5.126 189 HD2 TYR 23 HD2 TYR 23 -31.436 -17.223 -1.064 190 HE1 TYR 23 HE1 TYR 23 -30.397 -16.053 -5.729 191 HE2 TYR 23 HE2 TYR 23 -30.922 -14.892 -1.657 192 HH TYR 23 HH TYR 23 -29.485 -13.992 -4.501 193 HA PRO 24 HA PRO 24 -30.751 -24.093 -0.829 194 HB2 PRO 24 2HB PRO 24 -32.352 -23.840 1.348 195 HB3 PRO 24 3HB PRO 24 -30.606 -23.568 1.402 196 HG2 PRO 24 2HG PRO 24 -32.828 -21.571 1.211 197 HG3 PRO 24 3HG PRO 24 -31.360 -21.520 2.204 198 HD2 PRO 24 2HD PRO 24 -31.598 -20.147 -0.117 199 HD3 PRO 24 3HD PRO 24 -30.048 -20.801 0.451 200 H TRP 25 H TRP 25 -33.372 -21.796 -1.203 201 HA TRP 25 HA TRP 25 -35.157 -24.011 -1.976 202 HB2 TRP 25 2HB TRP 25 -36.956 -22.933 -1.045 203 HB3 TRP 25 3HB TRP 25 -35.685 -22.326 0.013 204 HD1 TRP 25 HD1 TRP 25 -38.342 -21.180 -2.346 205 HE1 TRP 25 HE1 TRP 25 -38.238 -18.621 -2.610 206 HE3 TRP 25 HE3 TRP 25 -33.839 -20.312 -0.085 207 HZ2 TRP 25 HZ2 TRP 25 -36.481 -16.514 -1.948 208 HZ3 TRP 25 HZ3 TRP 25 -33.018 -17.996 0.058 209 HH2 TRP 25 HH2 TRP 25 -34.312 -16.139 -0.855 210 H GLU 26 H GLU 26 -33.803 -20.924 -2.875 211 HA GLU 26 HA GLU 26 -35.311 -20.944 -5.390 212 HB2 GLU 26 2HB GLU 26 -34.267 -18.868 -3.670 213 HB3 GLU 26 3HB GLU 26 -33.672 -18.669 -5.313 214 HG2 GLU 26 2HG GLU 26 -36.409 -19.248 -5.534 215 HG3 GLU 26 3HG GLU 26 -36.250 -18.071 -4.232 216 H ARG 27 H ARG 27 -34.167 -22.641 -6.394 217 HA ARG 27 HA ARG 27 -31.550 -21.815 -7.432 218 HB2 ARG 27 2HB ARG 27 -31.054 -23.405 -5.676 219 HB3 ARG 27 3HB ARG 27 -32.226 -24.543 -6.324 220 HG2 ARG 27 2HG ARG 27 -30.303 -23.831 -8.338 221 HG3 ARG 27 3HG ARG 27 -29.495 -24.409 -6.879 222 HD2 ARG 27 2HD ARG 27 -30.504 -26.491 -6.990 223 HD3 ARG 27 3HD ARG 27 -31.835 -25.904 -7.986 224 HE ARG 27 HE ARG 27 -29.338 -25.713 -9.342 225 HH11 ARG 27 1HH1 ARG 27 -31.855 -27.937 -8.426 226 HH12 ARG 27 2HH1 ARG 27 -31.552 -29.025 -9.740 227 HH21 ARG 27 1HH2 ARG 27 -28.928 -27.138 -11.076 228 HH22 ARG 27 2HH2 ARG 27 -29.886 -28.570 -11.246 229 H GLY 28 H GLY 28 -31.879 -21.552 -9.544 230 HA2 GLY 28 2HA GLY 28 -32.857 -23.771 -11.120 231 HA3 GLY 28 3HA GLY 28 -33.908 -22.363 -11.134 232 H LYS 29 H LYS 29 -33.636 -21.834 -13.269 233 HA LYS 29 HA LYS 29 -30.974 -21.515 -14.366 234 HB2 LYS 29 2HB LYS 29 -32.155 -20.887 -16.439 235 HB3 LYS 29 3HB LYS 29 -32.713 -22.426 -15.798 236 HG2 LYS 29 2HG LYS 29 -34.408 -20.561 -14.647 237 HG3 LYS 29 3HG LYS 29 -34.182 -19.989 -16.302 238 HD2 LYS 29 2HD LYS 29 -34.612 -22.480 -16.931 239 HD3 LYS 29 3HD LYS 29 -35.342 -22.568 -15.326 240 HE2 LYS 29 2HE LYS 29 -37.211 -21.729 -16.186 241 HE3 LYS 29 3HE LYS 29 -36.343 -20.229 -16.510 242 HZ1 LYS 29 3HZ LYS 29 -37.505 -21.425 -18.442 243 HZ2 LYS 29 1HZ LYS 29 -36.186 -22.484 -18.402 244 HZ3 LYS 29 2HZ LYS 29 -35.940 -20.835 -18.689 245 H ALA 30 H ALA 30 -33.563 -19.518 -13.130 246 HA ALA 30 HA ALA 30 -31.839 -17.157 -13.501 247 HB1 ALA 30 3HB ALA 30 -34.574 -17.585 -14.367 248 HB2 ALA 30 1HB ALA 30 -34.410 -16.154 -13.350 249 HB3 ALA 30 2HB ALA 30 -33.434 -16.316 -14.810 Start of MODEL 14 1 H1 MET 1 H MET 1 2.408 2.480 -0.439 2 HA MET 1 HA MET 1 2.069 -0.229 -0.987 3 HB2 MET 1 2HB MET 1 0.391 0.823 1.267 4 HB3 MET 1 3HB MET 1 -0.229 -0.440 0.212 5 HG2 MET 1 2HG MET 1 2.100 -1.553 0.792 6 HG3 MET 1 3HG MET 1 1.943 -0.537 2.223 7 HE1 MET 1 3HE MET 1 0.679 -3.838 0.442 8 HE2 MET 1 1HE MET 1 2.020 -3.773 1.586 9 HE3 MET 1 2HE MET 1 0.530 -4.611 2.021 10 H LYS 2 H LYS 2 0.144 -0.669 -2.292 11 HA LYS 2 HA LYS 2 -0.709 1.752 -3.699 12 HB2 LYS 2 2HB LYS 2 -0.606 -1.158 -4.435 13 HB3 LYS 2 3HB LYS 2 -1.601 -0.038 -5.355 14 HG2 LYS 2 2HG LYS 2 0.983 1.106 -5.047 15 HG3 LYS 2 3HG LYS 2 1.165 -0.557 -5.610 16 HD2 LYS 2 2HD LYS 2 0.986 0.766 -7.558 17 HD3 LYS 2 3HD LYS 2 -0.589 -0.007 -7.358 18 HE2 LYS 2 2HE LYS 2 -1.526 2.001 -6.446 19 HE3 LYS 2 3HE LYS 2 0.058 2.775 -6.394 20 HZ1 LYS 2 3HZ LYS 2 -1.505 2.042 -8.806 21 HZ2 LYS 2 1HZ LYS 2 0.108 2.552 -8.859 22 HZ3 LYS 2 2HZ LYS 2 -1.091 3.596 -8.283 23 H THR 3 H THR 3 -2.473 2.607 -2.769 24 HA THR 3 HA THR 3 -4.421 1.318 -1.290 25 HB THR 3 HB THR 3 -5.690 3.434 -2.729 26 HG1 THR 3 HG1 THR 3 -3.941 5.012 -1.942 27 HG21 THR 3 1HG2 THR 3 -4.458 3.803 -0.035 28 HG22 THR 3 2HG2 THR 3 -5.738 2.606 -0.236 29 HG23 THR 3 3HG2 THR 3 -6.044 4.299 -0.623 30 H ILE 4 H ILE 4 -4.049 1.521 -4.743 31 HA ILE 4 HA ILE 4 -6.657 0.897 -5.552 32 HB ILE 4 HB ILE 4 -5.673 0.127 -7.654 33 HG12 ILE 4 2HG1 ILE 4 -2.938 0.675 -7.332 34 HG13 ILE 4 3HG1 ILE 4 -3.378 -0.330 -5.956 35 HG21 ILE 4 1HG2 ILE 4 -4.036 2.266 -7.835 36 HG22 ILE 4 2HG2 ILE 4 -5.796 2.363 -7.891 37 HG23 ILE 4 3HG2 ILE 4 -4.944 2.677 -6.380 38 HD11 ILE 4 3HD1 ILE 4 -3.518 -0.968 -8.872 39 HD12 ILE 4 1HD1 ILE 4 -2.711 -1.849 -7.575 40 HD13 ILE 4 2HD1 ILE 4 -4.471 -1.866 -7.691 41 H LEU 5 H LEU 5 -4.136 -1.073 -4.211 42 HA LEU 5 HA LEU 5 -4.883 -3.603 -5.094 43 HB2 LEU 5 2HB LEU 5 -3.778 -2.823 -2.398 44 HB3 LEU 5 3HB LEU 5 -3.792 -4.453 -3.069 45 HG LEU 5 HG LEU 5 -2.325 -2.163 -4.363 46 HD11 LEU 5 1HD1 LEU 5 -0.730 -4.163 -2.957 47 HD12 LEU 5 2HD1 LEU 5 -1.705 -3.152 -1.890 48 HD13 LEU 5 3HD1 LEU 5 -0.564 -2.408 -3.011 49 HD21 LEU 5 3HD2 LEU 5 -2.974 -4.306 -5.621 50 HD22 LEU 5 1HD2 LEU 5 -1.766 -5.099 -4.609 51 HD23 LEU 5 2HD2 LEU 5 -1.290 -3.784 -5.683 52 H ARG 6 H ARG 6 -6.037 -1.755 -2.294 53 HA ARG 6 HA ARG 6 -7.689 -3.676 -1.155 54 HB2 ARG 6 2HB ARG 6 -7.836 -0.672 -1.234 55 HB3 ARG 6 3HB ARG 6 -9.047 -1.624 -0.387 56 HG2 ARG 6 2HG ARG 6 -7.525 -2.384 1.196 57 HG3 ARG 6 3HG ARG 6 -6.133 -1.991 0.184 58 HD2 ARG 6 2HD ARG 6 -6.022 -0.227 1.611 59 HD3 ARG 6 3HD ARG 6 -7.146 0.457 0.438 60 HE ARG 6 HE ARG 6 -8.715 0.505 2.085 61 HH11 ARG 6 1HH1 ARG 6 -6.332 -1.895 2.910 62 HH12 ARG 6 2HH1 ARG 6 -7.038 -2.256 4.450 63 HH21 ARG 6 1HH2 ARG 6 -9.654 0.039 4.111 64 HH22 ARG 6 2HH2 ARG 6 -8.928 -1.156 5.132 65 H PHE 7 H PHE 7 -8.184 -1.654 -3.959 66 HA PHE 7 HA PHE 7 -10.994 -2.135 -4.178 67 HB2 PHE 7 2HB PHE 7 -8.982 -1.139 -6.204 68 HB3 PHE 7 3HB PHE 7 -10.723 -1.172 -6.461 69 HD1 PHE 7 HD1 PHE 7 -8.073 0.262 -4.307 70 HD2 PHE 7 HD2 PHE 7 -12.078 0.577 -5.715 71 HE1 PHE 7 HE1 PHE 7 -8.263 2.480 -3.259 72 HE2 PHE 7 HE2 PHE 7 -12.273 2.797 -4.671 73 HZ PHE 7 HZ PHE 7 -10.365 3.752 -3.442 74 H VAL 8 H VAL 8 -8.256 -3.223 -6.194 75 HA VAL 8 HA VAL 8 -9.672 -5.100 -7.691 76 HB VAL 8 HB VAL 8 -7.363 -4.273 -8.196 77 HG11 VAL 8 1HG1 VAL 8 -6.570 -6.289 -6.097 78 HG12 VAL 8 2HG1 VAL 8 -5.464 -5.436 -7.175 79 HG13 VAL 8 3HG1 VAL 8 -6.395 -4.539 -5.976 80 HG21 VAL 8 3HG2 VAL 8 -8.451 -6.287 -9.257 81 HG22 VAL 8 1HG2 VAL 8 -6.690 -6.249 -9.321 82 HG23 VAL 8 2HG2 VAL 8 -7.507 -7.281 -8.148 83 H ALA 9 H ALA 9 -8.308 -5.309 -4.489 84 HA ALA 9 HA ALA 9 -8.170 -8.068 -4.150 85 HB1 ALA 9 3HB ALA 9 -8.325 -5.726 -2.393 86 HB2 ALA 9 1HB ALA 9 -8.926 -7.223 -1.679 87 HB3 ALA 9 2HB ALA 9 -7.280 -7.144 -2.310 88 H GLY 10 H GLY 10 -10.923 -5.981 -4.362 89 HA2 GLY 10 2HA GLY 10 -12.735 -7.917 -3.173 90 HA3 GLY 10 3HA GLY 10 -13.170 -6.352 -3.844 91 H TYR 11 H TYR 11 -11.862 -6.765 -6.381 92 HA TYR 11 HA TYR 11 -13.945 -7.816 -7.872 93 HB2 TYR 11 2HB TYR 11 -12.304 -6.385 -8.903 94 HB3 TYR 11 3HB TYR 11 -11.017 -7.539 -8.573 95 HD1 TYR 11 HD2 TYR 11 -14.421 -7.997 -10.041 96 HD2 TYR 11 HD1 TYR 11 -10.215 -8.292 -10.610 97 HE1 TYR 11 HE2 TYR 11 -14.797 -9.035 -12.239 98 HE2 TYR 11 HE1 TYR 11 -10.579 -9.330 -12.810 99 HH TYR 11 HH TYR 11 -13.643 -9.383 -14.331 100 H ASP 12 H ASP 12 -10.909 -9.391 -6.906 101 HA ASP 12 HA ASP 12 -11.309 -11.837 -8.178 102 HB2 ASP 12 2HB ASP 12 -9.219 -10.971 -6.969 103 HB3 ASP 12 3HB ASP 12 -9.967 -11.574 -5.492 104 H ILE 13 H ILE 13 -12.691 -10.553 -5.257 105 HA ILE 13 HA ILE 13 -13.725 -13.112 -4.382 106 HB ILE 13 HB ILE 13 -14.430 -10.373 -3.327 107 HG12 ILE 13 2HG1 ILE 13 -12.006 -10.721 -3.213 108 HG13 ILE 13 3HG1 ILE 13 -12.720 -10.771 -1.605 109 HG21 ILE 13 1HG2 ILE 13 -16.004 -12.042 -2.636 110 HG22 ILE 13 2HG2 ILE 13 -14.707 -13.146 -2.184 111 HG23 ILE 13 3HG2 ILE 13 -14.962 -11.663 -1.265 112 HD11 ILE 13 3HD1 ILE 13 -12.586 -13.177 -1.582 113 HD12 ILE 13 1HD1 ILE 13 -11.982 -13.187 -3.238 114 HD13 ILE 13 2HD1 ILE 13 -11.004 -12.489 -1.946 115 H ALA 14 H ALA 14 -14.835 -10.312 -6.148 116 HA ALA 14 HA ALA 14 -17.618 -10.911 -6.003 117 HB1 ALA 14 3HB ALA 14 -17.736 -8.852 -6.815 118 HB2 ALA 14 1HB ALA 14 -15.992 -8.840 -7.072 119 HB3 ALA 14 2HB ALA 14 -17.067 -9.416 -8.346 120 H SER 15 H SER 15 -14.999 -11.961 -8.027 121 HA SER 15 HA SER 15 -16.320 -12.795 -10.312 122 HB2 SER 15 2HB SER 15 -14.011 -14.173 -8.918 123 HB3 SER 15 3HB SER 15 -14.489 -14.418 -10.598 124 HG SER 15 HG SER 15 -13.548 -12.010 -9.427 125 H HIS 16 H HIS 16 -16.042 -14.391 -7.182 126 HA HIS 16 HA HIS 16 -17.353 -16.792 -8.053 127 HB2 HIS 16 2HB HIS 16 -16.809 -15.793 -5.249 128 HB3 HIS 16 3HB HIS 16 -17.306 -17.426 -5.684 129 HD1 HIS 16 HD1 HIS 16 -15.482 -19.050 -6.199 130 HD2 HIS 16 HD2 HIS 16 -14.151 -15.115 -6.248 131 HE1 HIS 16 HE1 HIS 16 -12.985 -19.189 -6.458 132 H LYS 17 H LYS 17 -18.283 -13.897 -6.248 133 HA LYS 17 HA LYS 17 -20.833 -14.643 -5.449 134 HB2 LYS 17 2HB LYS 17 -19.347 -12.390 -5.211 135 HB3 LYS 17 3HB LYS 17 -20.538 -11.856 -6.389 136 HG2 LYS 17 2HG LYS 17 -21.855 -11.396 -4.666 137 HG3 LYS 17 3HG LYS 17 -22.052 -13.139 -4.469 138 HD2 LYS 17 2HD LYS 17 -19.626 -11.955 -3.270 139 HD3 LYS 17 3HD LYS 17 -21.161 -11.512 -2.520 140 HE2 LYS 17 2HE LYS 17 -20.670 -14.378 -3.146 141 HE3 LYS 17 3HE LYS 17 -19.813 -13.666 -1.780 142 HZ1 LYS 17 3HZ LYS 17 -22.758 -13.558 -2.137 143 HZ2 LYS 17 1HZ LYS 17 -21.880 -13.061 -0.779 144 HZ3 LYS 17 2HZ LYS 17 -21.958 -14.702 -1.181 145 H LYS 18 H LYS 18 -20.029 -12.707 -8.339 146 HA LYS 18 HA LYS 18 -22.261 -13.998 -9.740 147 HB2 LYS 18 2HB LYS 18 -22.697 -11.588 -8.747 148 HB3 LYS 18 3HB LYS 18 -21.796 -11.077 -10.168 149 HG2 LYS 18 2HG LYS 18 -23.391 -12.106 -11.627 150 HG3 LYS 18 3HG LYS 18 -24.235 -12.837 -10.261 151 HD2 LYS 18 2HD LYS 18 -24.563 -10.428 -9.433 152 HD3 LYS 18 3HD LYS 18 -24.115 -9.948 -11.071 153 HE2 LYS 18 2HE LYS 18 -26.485 -10.065 -11.010 154 HE3 LYS 18 3HE LYS 18 -25.927 -11.479 -11.902 155 HZ1 LYS 18 3HZ LYS 18 -26.191 -11.946 -9.081 156 HZ2 LYS 18 1HZ LYS 18 -26.781 -12.848 -10.385 157 HZ3 LYS 18 2HZ LYS 18 -27.653 -11.516 -9.815 158 H LYS 19 H LYS 19 -21.669 -14.749 -11.662 159 HA LYS 19 HA LYS 19 -19.173 -13.741 -12.845 160 HB2 LYS 19 2HB LYS 19 -19.209 -16.140 -12.273 161 HB3 LYS 19 3HB LYS 19 -20.602 -16.364 -13.324 162 HG2 LYS 19 2HG LYS 19 -18.303 -15.107 -14.628 163 HG3 LYS 19 3HG LYS 19 -18.012 -16.750 -14.052 164 HD2 LYS 19 2HD LYS 19 -19.723 -17.640 -15.382 165 HD3 LYS 19 3HD LYS 19 -20.458 -16.057 -15.649 166 HE2 LYS 19 2HE LYS 19 -19.164 -15.651 -17.421 167 HE3 LYS 19 3HE LYS 19 -17.707 -16.169 -16.573 168 HZ1 LYS 19 3HZ LYS 19 -17.729 -18.042 -17.723 169 HZ2 LYS 19 1HZ LYS 19 -19.097 -17.523 -18.572 170 HZ3 LYS 19 2HZ LYS 19 -19.274 -18.425 -17.153 171 H THR 20 H THR 20 -22.530 -13.750 -13.231 172 HA THR 20 HA THR 20 -22.271 -13.025 -16.077 173 HB THR 20 HB THR 20 -24.696 -13.600 -16.278 174 HG1 THR 20 HG1 THR 20 -25.266 -13.492 -14.073 175 HG21 THR 20 1HG2 THR 20 -23.550 -16.122 -15.301 176 HG22 THR 20 2HG2 THR 20 -22.520 -15.236 -16.427 177 HG23 THR 20 3HG2 THR 20 -24.155 -15.696 -16.902 178 H GLY 21 H GLY 21 -21.659 -10.892 -15.023 179 HA2 GLY 21 2HA GLY 21 -23.748 -9.052 -15.346 180 HA3 GLY 21 3HA GLY 21 -23.547 -9.343 -13.624 181 H GLY 22 H GLY 22 -21.475 -8.738 -16.471 182 HA2 GLY 22 2HA GLY 22 -20.122 -6.648 -14.894 183 HA3 GLY 22 3HA GLY 22 -19.176 -7.868 -15.735 184 H TYR 23 H TYR 23 -20.879 -4.907 -16.000 185 HA TYR 23 HA TYR 23 -20.380 -4.855 -18.903 186 HB2 TYR 23 2HB TYR 23 -22.346 -3.167 -17.345 187 HB3 TYR 23 3HB TYR 23 -22.153 -3.208 -19.094 188 HD1 TYR 23 HD1 TYR 23 -23.234 -5.195 -16.163 189 HD2 TYR 23 HD2 TYR 23 -23.254 -4.845 -20.403 190 HE1 TYR 23 HE1 TYR 23 -24.913 -6.987 -16.297 191 HE2 TYR 23 HE2 TYR 23 -24.933 -6.635 -20.548 192 HH TYR 23 HH TYR 23 -26.763 -7.581 -18.921 193 HA PRO 24 HA PRO 24 -17.491 -1.588 -18.425 194 HB2 PRO 24 2HB PRO 24 -17.965 -0.111 -20.654 195 HB3 PRO 24 3HB PRO 24 -17.171 -1.690 -20.698 196 HG2 PRO 24 2HG PRO 24 -20.026 -0.990 -21.263 197 HG3 PRO 24 3HG PRO 24 -18.948 -2.090 -22.143 198 HD2 PRO 24 2HD PRO 24 -20.812 -2.970 -20.388 199 HD3 PRO 24 3HD PRO 24 -19.267 -3.806 -20.638 200 H TRP 25 H TRP 25 -20.856 -0.749 -18.934 201 HA TRP 25 HA TRP 25 -20.379 1.834 -17.599 202 HB2 TRP 25 2HB TRP 25 -21.960 2.848 -18.914 203 HB3 TRP 25 3HB TRP 25 -21.405 1.612 -20.041 204 HD1 TRP 25 HD1 TRP 25 -24.475 2.841 -18.308 205 HE1 TRP 25 HE1 TRP 25 -26.468 1.310 -18.858 206 HE3 TRP 25 HE3 TRP 25 -21.944 -1.030 -20.485 207 HZ2 TRP 25 HZ2 TRP 25 -26.909 -1.208 -20.056 208 HZ3 TRP 25 HZ3 TRP 25 -23.227 -2.964 -21.307 209 HH2 TRP 25 HH2 TRP 25 -25.658 -3.049 -21.095 210 H GLU 26 H GLU 26 -22.255 -1.105 -17.647 211 HA GLU 26 HA GLU 26 -23.819 -0.199 -15.337 212 HB2 GLU 26 2HB GLU 26 -24.335 -1.968 -17.565 213 HB3 GLU 26 3HB GLU 26 -24.628 -2.792 -16.039 214 HG2 GLU 26 2HG GLU 26 -25.791 -0.251 -15.793 215 HG3 GLU 26 3HG GLU 26 -26.235 -0.851 -17.389 216 H ARG 27 H ARG 27 -22.149 -0.343 -13.790 217 HA ARG 27 HA ARG 27 -20.745 -2.814 -13.362 218 HB2 ARG 27 2HB ARG 27 -19.795 -1.695 -11.407 219 HB3 ARG 27 3HB ARG 27 -19.704 -0.661 -12.826 220 HG2 ARG 27 2HG ARG 27 -20.491 0.893 -11.410 221 HG3 ARG 27 3HG ARG 27 -22.049 0.162 -11.802 222 HD2 ARG 27 2HD ARG 27 -21.883 0.385 -9.418 223 HD3 ARG 27 3HD ARG 27 -21.788 -1.325 -9.833 224 HE ARG 27 HE ARG 27 -19.641 -1.372 -9.026 225 HH11 ARG 27 1HH1 ARG 27 -20.670 1.933 -9.393 226 HH12 ARG 27 2HH1 ARG 27 -19.292 2.591 -8.571 227 HH21 ARG 27 1HH2 ARG 27 -17.823 -0.519 -7.942 228 HH22 ARG 27 2HH2 ARG 27 -17.674 1.194 -7.747 229 H GLY 28 H GLY 28 -23.664 -1.335 -12.188 230 HA2 GLY 28 2HA GLY 28 -24.476 -3.780 -10.929 231 HA3 GLY 28 3HA GLY 28 -24.094 -2.525 -9.759 232 H LYS 29 H LYS 29 -26.606 -3.538 -9.799 233 HA LYS 29 HA LYS 29 -28.396 -2.099 -11.477 234 HB2 LYS 29 2HB LYS 29 -30.153 -3.023 -10.113 235 HB3 LYS 29 3HB LYS 29 -28.940 -4.267 -10.382 236 HG2 LYS 29 2HG LYS 29 -28.038 -3.247 -8.069 237 HG3 LYS 29 3HG LYS 29 -29.765 -2.928 -7.891 238 HD2 LYS 29 2HD LYS 29 -29.442 -5.058 -6.953 239 HD3 LYS 29 3HD LYS 29 -30.111 -5.367 -8.557 240 HE2 LYS 29 2HE LYS 29 -28.358 -6.655 -9.000 241 HE3 LYS 29 3HE LYS 29 -27.316 -5.240 -8.860 242 HZ1 LYS 29 3HZ LYS 29 -26.968 -7.343 -7.358 243 HZ2 LYS 29 1HZ LYS 29 -28.144 -6.593 -6.400 244 HZ3 LYS 29 2HZ LYS 29 -26.700 -5.785 -6.753 245 H ALA 30 H ALA 30 -26.859 -1.434 -8.438 246 HA ALA 30 HA ALA 30 -28.622 0.808 -7.857 247 HB1 ALA 30 3HB ALA 30 -26.145 0.037 -6.336 248 HB2 ALA 30 1HB ALA 30 -27.530 0.973 -5.772 249 HB3 ALA 30 2HB ALA 30 -27.702 -0.754 -6.087 Start of MODEL 15 1 H1 MET 1 H MET 1 1.268 2.123 0.972 2 HA MET 1 HA MET 1 1.542 -0.377 -0.564 3 HB2 MET 1 2HB MET 1 0.684 -0.299 1.961 4 HB3 MET 1 3HB MET 1 -0.841 0.062 1.163 5 HG2 MET 1 2HG MET 1 -1.008 -2.191 1.234 6 HG3 MET 1 3HG MET 1 -0.146 -2.033 -0.296 7 HE1 MET 1 3HE MET 1 2.893 -3.788 -0.059 8 HE2 MET 1 1HE MET 1 1.389 -4.708 -0.121 9 HE3 MET 1 2HE MET 1 1.501 -3.147 -0.932 10 H LYS 2 H LYS 2 0.552 -0.430 -2.470 11 HA LYS 2 HA LYS 2 -0.747 1.759 -3.598 12 HB2 LYS 2 2HB LYS 2 -0.630 -1.152 -4.328 13 HB3 LYS 2 3HB LYS 2 -1.614 -0.034 -5.263 14 HG2 LYS 2 2HG LYS 2 0.259 1.206 -5.953 15 HG3 LYS 2 3HG LYS 2 1.302 0.453 -4.743 16 HD2 LYS 2 2HD LYS 2 0.755 -1.750 -5.972 17 HD3 LYS 2 3HD LYS 2 0.223 -0.704 -7.291 18 HE2 LYS 2 2HE LYS 2 2.334 -0.535 -7.955 19 HE3 LYS 2 3HE LYS 2 2.714 0.287 -6.442 20 HZ1 LYS 2 3HZ LYS 2 4.133 -1.456 -6.290 21 HZ2 LYS 2 1HZ LYS 2 3.165 -2.495 -7.210 22 HZ3 LYS 2 2HZ LYS 2 2.781 -2.193 -5.591 23 H THR 3 H THR 3 -2.526 2.613 -2.696 24 HA THR 3 HA THR 3 -4.493 1.325 -1.241 25 HB THR 3 HB THR 3 -5.820 3.399 -2.606 26 HG1 THR 3 HG1 THR 3 -3.286 4.361 -1.812 27 HG21 THR 3 1HG2 THR 3 -5.463 4.618 -0.460 28 HG22 THR 3 2HG2 THR 3 -4.361 3.333 0.036 29 HG23 THR 3 3HG2 THR 3 -6.063 2.973 -0.249 30 H ILE 4 H ILE 4 -4.071 1.521 -4.689 31 HA ILE 4 HA ILE 4 -6.669 0.890 -5.533 32 HB ILE 4 HB ILE 4 -5.654 0.118 -7.619 33 HG12 ILE 4 2HG1 ILE 4 -2.924 0.672 -7.260 34 HG13 ILE 4 3HG1 ILE 4 -3.382 -0.332 -5.888 35 HG21 ILE 4 1HG2 ILE 4 -5.777 2.354 -7.863 36 HG22 ILE 4 2HG2 ILE 4 -4.949 2.670 -6.340 37 HG23 ILE 4 3HG2 ILE 4 -4.018 2.261 -7.781 38 HD11 ILE 4 3HD1 ILE 4 -4.450 -1.873 -7.635 39 HD12 ILE 4 1HD1 ILE 4 -3.483 -0.977 -8.806 40 HD13 ILE 4 2HD1 ILE 4 -2.692 -1.854 -7.495 41 H LEU 5 H LEU 5 -4.163 -1.071 -4.152 42 HA LEU 5 HA LEU 5 -4.892 -3.605 -5.040 43 HB2 LEU 5 2HB LEU 5 -3.827 -2.817 -2.331 44 HB3 LEU 5 3HB LEU 5 -3.827 -4.449 -2.999 45 HG LEU 5 HG LEU 5 -2.348 -2.159 -4.277 46 HD11 LEU 5 1HD1 LEU 5 -0.602 -2.401 -2.904 47 HD12 LEU 5 2HD1 LEU 5 -0.774 -4.155 -2.839 48 HD13 LEU 5 3HD1 LEU 5 -1.761 -3.134 -1.793 49 HD21 LEU 5 3HD2 LEU 5 -2.975 -4.310 -5.536 50 HD22 LEU 5 1HD2 LEU 5 -1.776 -5.093 -4.507 51 HD23 LEU 5 2HD2 LEU 5 -1.293 -3.779 -5.580 52 H ARG 6 H ARG 6 -6.089 -1.754 -2.260 53 HA ARG 6 HA ARG 6 -7.752 -3.675 -1.141 54 HB2 ARG 6 2HB ARG 6 -8.259 -0.698 -1.282 55 HB3 ARG 6 3HB ARG 6 -8.976 -1.818 -0.132 56 HG2 ARG 6 2HG ARG 6 -6.007 -1.478 -0.314 57 HG3 ARG 6 3HG ARG 6 -7.004 -0.373 0.635 58 HD2 ARG 6 2HD ARG 6 -7.003 -3.368 0.970 59 HD3 ARG 6 3HD ARG 6 -6.026 -2.265 1.938 60 HE ARG 6 HE ARG 6 -8.752 -1.505 2.010 61 HH11 ARG 6 1HH1 ARG 6 -6.534 -3.887 3.244 62 HH12 ARG 6 2HH1 ARG 6 -7.451 -4.184 4.684 63 HH21 ARG 6 1HH2 ARG 6 -9.968 -1.887 3.901 64 HH22 ARG 6 2HH2 ARG 6 -9.404 -3.047 5.056 65 H PHE 7 H PHE 7 -8.213 -1.661 -3.955 66 HA PHE 7 HA PHE 7 -11.018 -2.149 -4.213 67 HB2 PHE 7 2HB PHE 7 -8.980 -1.152 -6.213 68 HB3 PHE 7 3HB PHE 7 -10.718 -1.188 -6.494 69 HD1 PHE 7 HD2 PHE 7 -8.101 0.256 -4.305 70 HD2 PHE 7 HD1 PHE 7 -12.086 0.559 -5.770 71 HE1 PHE 7 HE2 PHE 7 -8.311 2.476 -3.265 72 HE2 PHE 7 HE1 PHE 7 -12.302 2.780 -4.734 73 HZ PHE 7 HZ PHE 7 -10.413 3.741 -3.478 74 H VAL 8 H VAL 8 -8.250 -3.234 -6.188 75 HA VAL 8 HA VAL 8 -9.642 -5.117 -7.701 76 HB VAL 8 HB VAL 8 -7.327 -4.285 -8.174 77 HG11 VAL 8 1HG1 VAL 8 -5.442 -5.446 -7.129 78 HG12 VAL 8 2HG1 VAL 8 -6.388 -4.548 -5.941 79 HG13 VAL 8 3HG1 VAL 8 -6.559 -6.300 -6.065 80 HG21 VAL 8 3HG2 VAL 8 -8.302 -6.203 -9.360 81 HG22 VAL 8 1HG2 VAL 8 -6.557 -6.363 -9.173 82 HG23 VAL 8 2HG2 VAL 8 -7.643 -7.286 -8.135 83 H ALA 9 H ALA 9 -8.328 -5.314 -4.478 84 HA ALA 9 HA ALA 9 -8.184 -8.071 -4.129 85 HB1 ALA 9 3HB ALA 9 -8.360 -7.639 -1.751 86 HB2 ALA 9 1HB ALA 9 -7.332 -6.425 -2.514 87 HB3 ALA 9 2HB ALA 9 -8.991 -6.023 -2.068 88 H GLY 10 H GLY 10 -10.940 -5.998 -4.394 89 HA2 GLY 10 2HA GLY 10 -12.762 -7.945 -3.233 90 HA3 GLY 10 3HA GLY 10 -13.194 -6.378 -3.900 91 H TYR 11 H TYR 11 -11.807 -6.808 -6.416 92 HA TYR 11 HA TYR 11 -13.878 -7.843 -7.949 93 HB2 TYR 11 2HB TYR 11 -12.172 -6.390 -8.897 94 HB3 TYR 11 3HB TYR 11 -10.940 -7.619 -8.635 95 HD1 TYR 11 HD1 TYR 11 -14.381 -7.978 -10.021 96 HD2 TYR 11 HD2 TYR 11 -10.196 -8.190 -10.766 97 HE1 TYR 11 HE1 TYR 11 -14.831 -8.899 -12.256 98 HE2 TYR 11 HE2 TYR 11 -10.637 -9.111 -13.004 99 HH TYR 11 HH TYR 11 -12.191 -9.904 -14.396 100 H ASP 12 H ASP 12 -10.821 -9.411 -7.023 101 HA ASP 12 HA ASP 12 -11.223 -11.854 -8.283 102 HB2 ASP 12 2HB ASP 12 -9.157 -10.929 -6.997 103 HB3 ASP 12 3HB ASP 12 -9.897 -11.695 -5.593 104 H ILE 13 H ILE 13 -12.597 -10.591 -5.348 105 HA ILE 13 HA ILE 13 -13.622 -13.155 -4.484 106 HB ILE 13 HB ILE 13 -14.321 -10.418 -3.420 107 HG12 ILE 13 2HG1 ILE 13 -11.894 -10.818 -3.306 108 HG13 ILE 13 3HG1 ILE 13 -12.622 -10.816 -1.703 109 HG21 ILE 13 1HG2 ILE 13 -14.524 -12.154 -1.345 110 HG22 ILE 13 2HG2 ILE 13 -15.872 -11.650 -2.363 111 HG23 ILE 13 3HG2 ILE 13 -15.038 -13.169 -2.694 112 HD11 ILE 13 3HD1 ILE 13 -11.665 -12.767 -1.323 113 HD12 ILE 13 1HD1 ILE 13 -12.672 -13.477 -2.585 114 HD13 ILE 13 2HD1 ILE 13 -11.075 -12.842 -2.984 115 H ALA 14 H ALA 14 -14.800 -10.280 -6.122 116 HA ALA 14 HA ALA 14 -17.559 -10.925 -6.011 117 HB1 ALA 14 3HB ALA 14 -17.901 -9.049 -7.261 118 HB2 ALA 14 1HB ALA 14 -16.286 -8.697 -6.647 119 HB3 ALA 14 2HB ALA 14 -16.490 -9.333 -8.280 120 H SER 15 H SER 15 -14.949 -12.046 -7.963 121 HA SER 15 HA SER 15 -16.179 -12.794 -10.317 122 HB2 SER 15 2HB SER 15 -13.736 -13.016 -9.785 123 HB3 SER 15 3HB SER 15 -14.125 -14.455 -8.842 124 HG SER 15 HG SER 15 -13.482 -14.672 -11.181 125 H HIS 16 H HIS 16 -16.152 -14.475 -7.208 126 HA HIS 16 HA HIS 16 -18.084 -16.413 -8.292 127 HB2 HIS 16 2HB HIS 16 -17.465 -17.735 -6.194 128 HB3 HIS 16 3HB HIS 16 -16.232 -17.611 -7.446 129 HD1 HIS 16 HD1 HIS 16 -14.000 -17.155 -6.514 130 HD2 HIS 16 HD2 HIS 16 -17.003 -15.477 -4.184 131 HE1 HIS 16 HE1 HIS 16 -12.819 -16.052 -4.588 132 H LYS 17 H LYS 17 -17.578 -13.923 -5.944 133 HA LYS 17 HA LYS 17 -19.835 -14.560 -4.301 134 HB2 LYS 17 2HB LYS 17 -17.778 -13.203 -3.629 135 HB3 LYS 17 3HB LYS 17 -18.499 -11.867 -4.518 136 HG2 LYS 17 2HG LYS 17 -20.567 -12.302 -3.031 137 HG3 LYS 17 3HG LYS 17 -19.434 -13.183 -2.004 138 HD2 LYS 17 2HD LYS 17 -18.247 -10.699 -2.721 139 HD3 LYS 17 3HD LYS 17 -19.885 -10.384 -2.144 140 HE2 LYS 17 2HE LYS 17 -18.190 -12.272 -0.594 141 HE3 LYS 17 3HE LYS 17 -17.818 -10.552 -0.492 142 HZ1 LYS 17 3HZ LYS 17 -19.426 -11.477 1.205 143 HZ2 LYS 17 1HZ LYS 17 -20.553 -11.590 -0.052 144 HZ3 LYS 17 2HZ LYS 17 -19.922 -10.084 0.384 145 H LYS 18 H LYS 18 -19.214 -11.826 -6.513 146 HA LYS 18 HA LYS 18 -22.055 -11.884 -7.258 147 HB2 LYS 18 2HB LYS 18 -21.591 -10.106 -5.531 148 HB3 LYS 18 3HB LYS 18 -20.537 -9.331 -6.707 149 HG2 LYS 18 2HG LYS 18 -22.254 -8.513 -7.904 150 HG3 LYS 18 3HG LYS 18 -23.251 -9.948 -7.657 151 HD2 LYS 18 2HD LYS 18 -23.132 -8.893 -5.138 152 HD3 LYS 18 3HD LYS 18 -23.142 -7.442 -6.143 153 HE2 LYS 18 2HE LYS 18 -25.402 -7.876 -5.759 154 HE3 LYS 18 3HE LYS 18 -25.111 -8.542 -7.365 155 HZ1 LYS 18 3HZ LYS 18 -25.386 -10.652 -6.640 156 HZ2 LYS 18 1HZ LYS 18 -26.346 -9.892 -5.472 157 HZ3 LYS 18 2HZ LYS 18 -24.759 -10.345 -5.099 158 H LYS 19 H LYS 19 -21.555 -12.799 -9.244 159 HA LYS 19 HA LYS 19 -19.662 -11.446 -10.992 160 HB2 LYS 19 2HB LYS 19 -20.122 -13.295 -12.553 161 HB3 LYS 19 3HB LYS 19 -19.639 -13.879 -10.967 162 HG2 LYS 19 2HG LYS 19 -21.432 -15.175 -10.988 163 HG3 LYS 19 3HG LYS 19 -22.417 -13.716 -10.856 164 HD2 LYS 19 2HD LYS 19 -23.219 -14.952 -12.731 165 HD3 LYS 19 3HD LYS 19 -22.342 -13.554 -13.359 166 HE2 LYS 19 2HE LYS 19 -20.415 -14.916 -13.836 167 HE3 LYS 19 3HE LYS 19 -21.162 -16.313 -13.061 168 HZ1 LYS 19 3HZ LYS 19 -23.006 -15.863 -14.834 169 HZ2 LYS 19 1HZ LYS 19 -21.615 -16.734 -15.242 170 HZ3 LYS 19 2HZ LYS 19 -21.745 -15.102 -15.666 171 H THR 20 H THR 20 -22.962 -11.333 -10.276 172 HA THR 20 HA THR 20 -23.448 -9.423 -12.362 173 HB THR 20 HB THR 20 -23.809 -11.576 -13.567 174 HG1 THR 20 HG1 THR 20 -26.024 -9.844 -13.127 175 HG21 THR 20 1HG2 THR 20 -26.294 -11.949 -11.934 176 HG22 THR 20 2HG2 THR 20 -24.768 -12.666 -11.418 177 HG23 THR 20 3HG2 THR 20 -25.464 -13.100 -12.978 178 H GLY 21 H GLY 21 -25.054 -8.027 -11.816 179 HA2 GLY 21 2HA GLY 21 -27.320 -8.535 -10.304 180 HA3 GLY 21 3HA GLY 21 -26.060 -8.103 -9.157 181 H GLY 22 H GLY 22 -24.693 -6.121 -10.330 182 HA2 GLY 22 2HA GLY 22 -24.931 -4.000 -11.407 183 HA3 GLY 22 3HA GLY 22 -26.671 -4.128 -11.201 184 H TYR 23 H TYR 23 -24.444 -2.152 -10.369 185 HA TYR 23 HA TYR 23 -25.111 -2.023 -7.507 186 HB2 TYR 23 2HB TYR 23 -22.869 -0.613 -8.965 187 HB3 TYR 23 3HB TYR 23 -23.129 -0.650 -7.225 188 HD1 TYR 23 HD1 TYR 23 -22.237 -2.732 -10.154 189 HD2 TYR 23 HD2 TYR 23 -22.322 -2.445 -5.909 190 HE1 TYR 23 HE1 TYR 23 -20.836 -4.748 -9.995 191 HE2 TYR 23 HE2 TYR 23 -20.921 -4.458 -5.739 192 HH TYR 23 HH TYR 23 -19.089 -5.613 -7.892 193 HA PRO 24 HA PRO 24 -27.487 1.630 -8.024 194 HB2 PRO 24 2HB PRO 24 -26.888 2.994 -5.755 195 HB3 PRO 24 3HB PRO 24 -27.900 1.545 -5.766 196 HG2 PRO 24 2HG PRO 24 -24.996 1.822 -5.091 197 HG3 PRO 24 3HG PRO 24 -26.251 0.877 -4.269 198 HD2 PRO 24 2HD PRO 24 -24.468 -0.239 -5.975 199 HD3 PRO 24 3HD PRO 24 -26.126 -0.849 -5.792 200 H TRP 25 H TRP 25 -24.056 1.971 -7.385 201 HA TRP 25 HA TRP 25 -24.112 4.614 -8.690 202 HB2 TRP 25 2HB TRP 25 -22.451 5.373 -7.303 203 HB3 TRP 25 3HB TRP 25 -23.217 4.216 -6.219 204 HD1 TRP 25 HD1 TRP 25 -19.943 5.016 -7.823 205 HE1 TRP 25 HE1 TRP 25 -18.209 3.207 -7.233 206 HE3 TRP 25 HE3 TRP 25 -23.076 1.518 -5.803 207 HZ2 TRP 25 HZ2 TRP 25 -18.175 0.637 -6.066 208 HZ3 TRP 25 HZ3 TRP 25 -22.113 -0.590 -4.974 209 HH2 TRP 25 HH2 TRP 25 -19.713 -1.019 -5.104 210 H GLU 26 H GLU 26 -22.676 1.435 -8.630 211 HA GLU 26 HA GLU 26 -20.917 2.138 -10.869 212 HB2 GLU 26 2HB GLU 26 -20.738 0.286 -8.657 213 HB3 GLU 26 3HB GLU 26 -20.511 -0.552 -10.186 214 HG2 GLU 26 2HG GLU 26 -18.989 1.799 -10.347 215 HG3 GLU 26 3HG GLU 26 -18.694 1.122 -8.747 216 H ARG 27 H ARG 27 -22.532 2.254 -12.474 217 HA ARG 27 HA ARG 27 -24.421 0.240 -12.997 218 HB2 ARG 27 2HB ARG 27 -24.560 2.524 -13.919 219 HB3 ARG 27 3HB ARG 27 -23.163 2.190 -14.935 220 HG2 ARG 27 2HG ARG 27 -25.375 0.279 -15.204 221 HG3 ARG 27 3HG ARG 27 -25.735 1.927 -15.724 222 HD2 ARG 27 2HD ARG 27 -23.316 0.372 -16.622 223 HD3 ARG 27 3HD ARG 27 -24.836 0.420 -17.515 224 HE ARG 27 HE ARG 27 -22.831 2.453 -17.425 225 HH11 ARG 27 1HH1 ARG 27 -26.244 1.876 -17.789 226 HH12 ARG 27 2HH1 ARG 27 -26.527 3.328 -18.691 227 HH21 ARG 27 1HH2 ARG 27 -23.190 4.368 -18.610 228 HH22 ARG 27 2HH2 ARG 27 -24.788 4.745 -19.158 229 H GLY 28 H GLY 28 -21.047 0.536 -13.794 230 HA2 GLY 28 2HA GLY 28 -20.860 -2.204 -14.538 231 HA3 GLY 28 3HA GLY 28 -20.807 -1.174 -15.962 232 H LYS 29 H LYS 29 -18.712 -1.483 -16.549 233 HA LYS 29 HA LYS 29 -16.586 -1.223 -14.594 234 HB2 LYS 29 2HB LYS 29 -16.682 -1.890 -17.523 235 HB3 LYS 29 3HB LYS 29 -15.155 -1.511 -16.736 236 HG2 LYS 29 2HG LYS 29 -16.900 -3.563 -15.486 237 HG3 LYS 29 3HG LYS 29 -16.029 -3.987 -16.961 238 HD2 LYS 29 2HD LYS 29 -13.951 -3.710 -15.965 239 HD3 LYS 29 3HD LYS 29 -14.592 -2.678 -14.684 240 HE2 LYS 29 2HE LYS 29 -15.645 -4.556 -13.623 241 HE3 LYS 29 3HE LYS 29 -15.228 -5.611 -14.972 242 HZ1 LYS 29 3HZ LYS 29 -13.777 -5.346 -12.721 243 HZ2 LYS 29 1HZ LYS 29 -12.969 -4.288 -13.766 244 HZ3 LYS 29 2HZ LYS 29 -13.169 -5.911 -14.196 245 H ALA 30 H ALA 30 -16.910 0.232 -17.827 246 HA ALA 30 HA ALA 30 -15.779 2.714 -16.727 247 HB1 ALA 30 3HB ALA 30 -15.176 1.219 -19.047 248 HB2 ALA 30 1HB ALA 30 -15.867 2.754 -19.574 249 HB3 ALA 30 2HB ALA 30 -14.460 2.737 -18.509 Start of MODEL 16 1 H1 MET 1 H MET 1 0.978 0.533 0.756 2 HA MET 1 HA MET 1 2.677 0.981 -0.757 3 HB2 MET 1 2HB MET 1 2.512 -1.837 -0.954 4 HB3 MET 1 3HB MET 1 2.453 -1.209 -2.595 5 HG2 MET 1 2HG MET 1 4.480 0.249 -1.687 6 HG3 MET 1 3HG MET 1 4.641 -1.135 -0.608 7 HE1 MET 1 3HE MET 1 4.046 0.070 -4.033 8 HE2 MET 1 1HE MET 1 5.298 -0.698 -5.009 9 HE3 MET 1 2HE MET 1 3.732 -1.484 -4.807 10 H LYS 2 H LYS 2 -0.291 -0.564 -1.890 11 HA LYS 2 HA LYS 2 -0.694 1.681 -3.722 12 HB2 LYS 2 2HB LYS 2 -0.616 -1.224 -4.475 13 HB3 LYS 2 3HB LYS 2 -1.618 -0.098 -5.382 14 HG2 LYS 2 2HG LYS 2 0.884 1.130 -5.173 15 HG3 LYS 2 3HG LYS 2 1.210 -0.565 -5.543 16 HD2 LYS 2 2HD LYS 2 -0.786 -0.106 -7.276 17 HD3 LYS 2 3HD LYS 2 -0.111 1.521 -7.174 18 HE2 LYS 2 2HE LYS 2 1.714 -0.809 -7.573 19 HE3 LYS 2 3HE LYS 2 0.793 -0.185 -8.941 20 HZ1 LYS 2 3HZ LYS 2 1.737 2.063 -8.269 21 HZ2 LYS 2 1HZ LYS 2 2.800 0.968 -9.000 22 HZ3 LYS 2 2HZ LYS 2 2.843 1.199 -7.324 23 H THR 3 H THR 3 -2.456 2.558 -2.816 24 HA THR 3 HA THR 3 -4.417 1.295 -1.329 25 HB THR 3 HB THR 3 -5.642 3.427 -2.802 26 HG1 THR 3 HG1 THR 3 -3.897 4.975 -1.951 27 HG21 THR 3 1HG2 THR 3 -6.134 4.199 -0.717 28 HG22 THR 3 2HG2 THR 3 -4.516 3.877 -0.097 29 HG23 THR 3 3HG2 THR 3 -5.671 2.557 -0.274 30 H ILE 4 H ILE 4 -4.036 1.471 -4.780 31 HA ILE 4 HA ILE 4 -6.654 0.866 -5.584 32 HB ILE 4 HB ILE 4 -5.685 0.098 -7.689 33 HG12 ILE 4 2HG1 ILE 4 -2.940 0.607 -7.374 34 HG13 ILE 4 3HG1 ILE 4 -3.389 -0.396 -5.999 35 HG21 ILE 4 1HG2 ILE 4 -5.042 2.169 -8.383 36 HG22 ILE 4 2HG2 ILE 4 -5.707 2.596 -6.808 37 HG23 ILE 4 3HG2 ILE 4 -3.964 2.417 -7.009 38 HD11 ILE 4 3HD1 ILE 4 -2.736 -1.907 -7.640 39 HD12 ILE 4 1HD1 ILE 4 -4.498 -1.927 -7.714 40 HD13 ILE 4 2HD1 ILE 4 -3.574 -1.026 -8.918 41 H LEU 5 H LEU 5 -4.152 -1.109 -4.227 42 HA LEU 5 HA LEU 5 -4.906 -3.640 -5.111 43 HB2 LEU 5 2HB LEU 5 -3.800 -2.859 -2.417 44 HB3 LEU 5 3HB LEU 5 -3.819 -4.491 -3.085 45 HG LEU 5 HG LEU 5 -2.344 -2.211 -4.386 46 HD11 LEU 5 1HD1 LEU 5 -1.727 -3.159 -1.908 47 HD12 LEU 5 2HD1 LEU 5 -0.571 -2.469 -3.047 48 HD13 LEU 5 3HD1 LEU 5 -0.774 -4.218 -2.949 49 HD21 LEU 5 3HD2 LEU 5 -2.994 -4.353 -5.638 50 HD22 LEU 5 1HD2 LEU 5 -1.803 -5.153 -4.613 51 HD23 LEU 5 2HD2 LEU 5 -1.304 -3.848 -5.690 52 H ARG 6 H ARG 6 -6.052 -1.782 -2.315 53 HA ARG 6 HA ARG 6 -7.713 -3.691 -1.172 54 HB2 ARG 6 2HB ARG 6 -7.759 -0.694 -1.232 55 HB3 ARG 6 3HB ARG 6 -9.083 -1.574 -0.481 56 HG2 ARG 6 2HG ARG 6 -7.570 -2.613 1.078 57 HG3 ARG 6 3HG ARG 6 -6.184 -1.876 0.272 58 HD2 ARG 6 2HD ARG 6 -6.386 -0.171 1.686 59 HD3 ARG 6 3HD ARG 6 -7.881 0.251 0.851 60 HE ARG 6 HE ARG 6 -8.519 -1.696 2.720 61 HH11 ARG 6 1HH1 ARG 6 -7.267 1.552 2.694 62 HH12 ARG 6 2HH1 ARG 6 -7.936 1.962 4.238 63 HH21 ARG 6 1HH2 ARG 6 -9.406 -1.169 4.754 64 HH22 ARG 6 2HH2 ARG 6 -9.152 0.414 5.409 65 H PHE 7 H PHE 7 -8.196 -1.680 -3.984 66 HA PHE 7 HA PHE 7 -11.008 -2.147 -4.202 67 HB2 PHE 7 2HB PHE 7 -8.989 -1.169 -6.231 68 HB3 PHE 7 3HB PHE 7 -10.729 -1.197 -6.492 69 HD1 PHE 7 HD2 PHE 7 -8.081 0.238 -4.336 70 HD2 PHE 7 HD1 PHE 7 -12.078 0.562 -5.761 71 HE1 PHE 7 HE2 PHE 7 -8.265 2.462 -3.302 72 HE2 PHE 7 HE1 PHE 7 -12.270 2.788 -4.729 73 HZ PHE 7 HZ PHE 7 -10.362 3.740 -3.497 74 H VAL 8 H VAL 8 -8.275 -3.259 -6.211 75 HA VAL 8 HA VAL 8 -9.702 -5.136 -7.700 76 HB VAL 8 HB VAL 8 -7.388 -4.324 -8.207 77 HG11 VAL 8 1HG1 VAL 8 -6.417 -4.581 -5.991 78 HG12 VAL 8 2HG1 VAL 8 -6.606 -6.333 -6.098 79 HG13 VAL 8 3HG1 VAL 8 -5.497 -5.496 -7.184 80 HG21 VAL 8 3HG2 VAL 8 -6.630 -6.439 -9.179 81 HG22 VAL 8 1HG2 VAL 8 -7.769 -7.316 -8.156 82 HG23 VAL 8 2HG2 VAL 8 -8.365 -6.217 -9.400 83 H ALA 9 H ALA 9 -8.339 -5.336 -4.497 84 HA ALA 9 HA ALA 9 -8.216 -8.093 -4.143 85 HB1 ALA 9 3HB ALA 9 -9.017 -6.095 -2.036 86 HB2 ALA 9 1HB ALA 9 -8.268 -7.672 -1.788 87 HB3 ALA 9 2HB ALA 9 -7.357 -6.374 -2.559 88 H GLY 10 H GLY 10 -10.956 -5.994 -4.366 89 HA2 GLY 10 2HA GLY 10 -12.781 -7.902 -3.158 90 HA3 GLY 10 3HA GLY 10 -13.207 -6.348 -3.859 91 H TYR 11 H TYR 11 -11.901 -6.806 -6.386 92 HA TYR 11 HA TYR 11 -13.984 -7.885 -7.858 93 HB2 TYR 11 2HB TYR 11 -12.359 -6.468 -8.921 94 HB3 TYR 11 3HB TYR 11 -11.058 -7.598 -8.560 95 HD1 TYR 11 HD1 TYR 11 -14.443 -8.277 -9.959 96 HD2 TYR 11 HD2 TYR 11 -10.245 -8.246 -10.646 97 HE1 TYR 11 HE1 TYR 11 -14.797 -9.370 -12.135 98 HE2 TYR 11 HE2 TYR 11 -10.586 -9.338 -12.823 99 HH TYR 11 HH TYR 11 -13.546 -9.530 -14.339 100 H ASP 12 H ASP 12 -10.946 -9.435 -6.864 101 HA ASP 12 HA ASP 12 -11.335 -11.902 -8.099 102 HB2 ASP 12 2HB ASP 12 -9.300 -10.901 -6.745 103 HB3 ASP 12 3HB ASP 12 -10.033 -11.786 -5.410 104 H ILE 13 H ILE 13 -12.738 -10.572 -5.210 105 HA ILE 13 HA ILE 13 -13.757 -13.121 -4.288 106 HB ILE 13 HB ILE 13 -14.498 -10.371 -3.291 107 HG12 ILE 13 2HG1 ILE 13 -12.072 -10.661 -3.165 108 HG13 ILE 13 3HG1 ILE 13 -12.782 -10.715 -1.556 109 HG21 ILE 13 1HG2 ILE 13 -16.048 -12.016 -2.542 110 HG22 ILE 13 2HG2 ILE 13 -14.751 -13.134 -2.123 111 HG23 ILE 13 3HG2 ILE 13 -14.974 -11.653 -1.191 112 HD11 ILE 13 3HD1 ILE 13 -12.607 -13.130 -1.537 113 HD12 ILE 13 1HD1 ILE 13 -11.963 -13.113 -3.178 114 HD13 ILE 13 2HD1 ILE 13 -11.037 -12.397 -1.860 115 H ALA 14 H ALA 14 -14.953 -10.260 -5.953 116 HA ALA 14 HA ALA 14 -17.701 -11.033 -5.889 117 HB1 ALA 14 3HB ALA 14 -16.115 -8.909 -7.229 118 HB2 ALA 14 1HB ALA 14 -17.703 -9.300 -7.891 119 HB3 ALA 14 2HB ALA 14 -17.550 -8.782 -6.211 120 H SER 15 H SER 15 -15.001 -11.771 -7.930 121 HA SER 15 HA SER 15 -16.268 -12.468 -10.306 122 HB2 SER 15 2HB SER 15 -13.807 -13.629 -8.989 123 HB3 SER 15 3HB SER 15 -14.315 -14.032 -10.629 124 HG SER 15 HG SER 15 -14.323 -11.560 -10.808 125 H HIS 16 H HIS 16 -16.116 -14.138 -7.257 126 HA HIS 16 HA HIS 16 -17.394 -16.505 -8.431 127 HB2 HIS 16 2HB HIS 16 -16.138 -16.072 -5.714 128 HB3 HIS 16 3HB HIS 16 -16.926 -17.563 -6.219 129 HD1 HIS 16 HD1 HIS 16 -14.241 -18.182 -5.499 130 HD2 HIS 16 HD2 HIS 16 -15.030 -16.512 -9.220 131 HE1 HIS 16 HE1 HIS 16 -12.250 -18.750 -6.926 132 H LYS 17 H LYS 17 -17.886 -13.898 -6.149 133 HA LYS 17 HA LYS 17 -20.360 -14.937 -5.121 134 HB2 LYS 17 2HB LYS 17 -19.053 -12.222 -4.909 135 HB3 LYS 17 3HB LYS 17 -20.564 -12.640 -4.112 136 HG2 LYS 17 2HG LYS 17 -18.406 -14.534 -3.593 137 HG3 LYS 17 3HG LYS 17 -18.073 -12.895 -3.027 138 HD2 LYS 17 2HD LYS 17 -20.775 -13.906 -2.438 139 HD3 LYS 17 3HD LYS 17 -19.460 -14.748 -1.617 140 HE2 LYS 17 2HE LYS 17 -18.821 -12.880 -0.436 141 HE3 LYS 17 3HE LYS 17 -19.476 -11.767 -1.638 142 HZ1 LYS 17 3HZ LYS 17 -21.728 -12.760 -0.877 143 HZ2 LYS 17 1HZ LYS 17 -20.977 -11.577 0.072 144 HZ3 LYS 17 2HZ LYS 17 -20.874 -13.207 0.513 145 H LYS 18 H LYS 18 -19.791 -11.826 -6.755 146 HA LYS 18 HA LYS 18 -21.635 -12.304 -8.852 147 HB2 LYS 18 2HB LYS 18 -22.971 -11.875 -6.555 148 HB3 LYS 18 3HB LYS 18 -22.743 -10.208 -7.070 149 HG2 LYS 18 2HG LYS 18 -24.646 -10.531 -8.196 150 HG3 LYS 18 3HG LYS 18 -23.614 -11.350 -9.371 151 HD2 LYS 18 2HD LYS 18 -24.183 -13.272 -7.426 152 HD3 LYS 18 3HD LYS 18 -25.707 -12.424 -7.697 153 HE2 LYS 18 2HE LYS 18 -24.147 -13.167 -10.099 154 HE3 LYS 18 3HE LYS 18 -24.888 -14.488 -9.196 155 HZ1 LYS 18 3HZ LYS 18 -26.770 -14.008 -10.232 156 HZ2 LYS 18 1HZ LYS 18 -26.105 -12.626 -10.945 157 HZ3 LYS 18 2HZ LYS 18 -26.819 -12.527 -9.416 158 H LYS 19 H LYS 19 -21.269 -10.896 -10.466 159 HA LYS 19 HA LYS 19 -20.162 -8.261 -9.866 160 HB2 LYS 19 2HB LYS 19 -18.198 -9.678 -10.171 161 HB3 LYS 19 3HB LYS 19 -18.831 -10.258 -11.706 162 HG2 LYS 19 2HG LYS 19 -17.120 -8.610 -12.095 163 HG3 LYS 19 3HG LYS 19 -18.684 -7.974 -12.607 164 HD2 LYS 19 2HD LYS 19 -18.864 -6.693 -10.551 165 HD3 LYS 19 3HD LYS 19 -17.346 -7.380 -9.966 166 HE2 LYS 19 2HE LYS 19 -17.048 -6.196 -12.590 167 HE3 LYS 19 3HE LYS 19 -17.667 -5.033 -11.420 168 HZ1 LYS 19 3HZ LYS 19 -15.045 -6.087 -11.680 169 HZ2 LYS 19 1HZ LYS 19 -15.648 -6.383 -10.127 170 HZ3 LYS 19 2HZ LYS 19 -15.589 -4.802 -10.724 171 H THR 20 H THR 20 -21.393 -6.855 -10.907 172 HA THR 20 HA THR 20 -22.521 -7.629 -13.519 173 HB THR 20 HB THR 20 -24.200 -7.234 -11.710 174 HG1 THR 20 HG1 THR 20 -24.495 -5.178 -13.616 175 HG21 THR 20 1HG2 THR 20 -22.952 -5.432 -10.551 176 HG22 THR 20 2HG2 THR 20 -24.615 -4.980 -10.929 177 HG23 THR 20 3HG2 THR 20 -23.287 -4.363 -11.911 178 H GLY 21 H GLY 21 -19.918 -6.243 -12.723 179 HA2 GLY 21 2HA GLY 21 -18.584 -4.733 -13.862 180 HA3 GLY 21 3HA GLY 21 -19.972 -4.311 -14.854 181 H GLY 22 H GLY 22 -21.531 -2.797 -13.987 182 HA2 GLY 22 2HA GLY 22 -22.196 -1.136 -12.426 183 HA3 GLY 22 3HA GLY 22 -20.595 -1.210 -11.707 184 H TYR 23 H TYR 23 -20.994 -1.021 -15.158 185 HA TYR 23 HA TYR 23 -19.619 1.543 -15.150 186 HB2 TYR 23 2HB TYR 23 -20.402 -0.194 -17.497 187 HB3 TYR 23 3HB TYR 23 -19.296 1.175 -17.529 188 HD1 TYR 23 HD2 TYR 23 -19.746 -2.266 -16.234 189 HD2 TYR 23 HD1 TYR 23 -17.012 0.907 -16.978 190 HE1 TYR 23 HE2 TYR 23 -17.868 -3.781 -15.760 191 HE2 TYR 23 HE1 TYR 23 -15.125 -0.599 -16.507 192 HH TYR 23 HH TYR 23 -15.258 -3.776 -16.546 193 HA PRO 24 HA PRO 24 -23.092 4.055 -16.090 194 HB2 PRO 24 2HB PRO 24 -22.002 5.881 -17.779 195 HB3 PRO 24 3HB PRO 24 -21.661 5.852 -16.046 196 HG2 PRO 24 2HG PRO 24 -20.030 4.778 -18.313 197 HG3 PRO 24 3HG PRO 24 -19.500 5.687 -16.886 198 HD2 PRO 24 2HD PRO 24 -19.257 2.996 -17.074 199 HD3 PRO 24 3HD PRO 24 -19.542 3.823 -15.530 200 H TRP 25 H TRP 25 -21.283 2.679 -18.759 201 HA TRP 25 HA TRP 25 -23.688 2.886 -20.450 202 HB2 TRP 25 2HB TRP 25 -22.391 3.215 -22.315 203 HB3 TRP 25 3HB TRP 25 -21.349 3.955 -21.103 204 HD1 TRP 25 HD1 TRP 25 -21.402 1.254 -23.681 205 HE1 TRP 25 HE1 TRP 25 -19.188 -0.059 -23.624 206 HE3 TRP 25 HE3 TRP 25 -19.488 3.079 -19.305 207 HZ2 TRP 25 HZ2 TRP 25 -16.930 -0.290 -21.947 208 HZ3 TRP 25 HZ3 TRP 25 -17.296 2.261 -18.545 209 HH2 TRP 25 HH2 TRP 25 -16.045 0.611 -19.839 210 H GLU 26 H GLU 26 -21.217 0.785 -19.159 211 HA GLU 26 HA GLU 26 -22.331 -1.513 -20.590 212 HB2 GLU 26 2HB GLU 26 -19.724 -0.815 -19.601 213 HB3 GLU 26 3HB GLU 26 -20.236 -2.338 -18.886 214 HG2 GLU 26 2HG GLU 26 -20.887 -2.492 -21.611 215 HG3 GLU 26 3HG GLU 26 -19.266 -1.807 -21.522 216 H ARG 27 H ARG 27 -23.642 -0.059 -18.318 217 HA ARG 27 HA ARG 27 -23.557 -1.424 -15.924 218 HB2 ARG 27 2HB ARG 27 -24.853 0.571 -16.075 219 HB3 ARG 27 3HB ARG 27 -25.868 -0.106 -17.343 220 HG2 ARG 27 2HG ARG 27 -27.002 0.003 -15.168 221 HG3 ARG 27 3HG ARG 27 -26.866 -1.646 -15.780 222 HD2 ARG 27 2HD ARG 27 -25.013 -2.090 -14.307 223 HD3 ARG 27 3HD ARG 27 -24.983 -0.408 -13.778 224 HE ARG 27 HE ARG 27 -27.485 -1.757 -13.303 225 HH11 ARG 27 1HH1 ARG 27 -24.323 -1.020 -12.048 226 HH12 ARG 27 2HH1 ARG 27 -24.783 -1.250 -10.394 227 HH21 ARG 27 1HH2 ARG 27 -28.103 -2.062 -11.129 228 HH22 ARG 27 2HH2 ARG 27 -26.932 -1.844 -9.873 229 H GLY 28 H GLY 28 -26.257 -1.929 -18.184 230 HA2 GLY 28 2HA GLY 28 -25.873 -4.775 -18.264 231 HA3 GLY 28 3HA GLY 28 -27.186 -4.302 -17.194 232 H LYS 29 H LYS 29 -26.357 -5.098 -20.334 233 HA LYS 29 HA LYS 29 -28.581 -3.650 -21.552 234 HB2 LYS 29 2HB LYS 29 -27.723 -4.437 -23.671 235 HB3 LYS 29 3HB LYS 29 -26.400 -3.767 -22.726 236 HG2 LYS 29 2HG LYS 29 -25.775 -6.072 -22.059 237 HG3 LYS 29 3HG LYS 29 -27.026 -6.681 -23.144 238 HD2 LYS 29 2HD LYS 29 -25.880 -6.033 -25.042 239 HD3 LYS 29 3HD LYS 29 -24.966 -4.786 -24.190 240 HE2 LYS 29 2HE LYS 29 -24.595 -7.756 -23.816 241 HE3 LYS 29 3HE LYS 29 -23.591 -6.740 -24.850 242 HZ1 LYS 29 3HZ LYS 29 -23.200 -7.246 -22.186 243 HZ2 LYS 29 1HZ LYS 29 -23.811 -5.669 -22.219 244 HZ3 LYS 29 2HZ LYS 29 -22.425 -6.057 -23.106 245 H ALA 30 H ALA 30 -27.706 -6.826 -20.457 246 HA ALA 30 HA ALA 30 -29.732 -8.250 -21.876 247 HB1 ALA 30 3HB ALA 30 -28.880 -9.494 -19.393 248 HB2 ALA 30 1HB ALA 30 -28.717 -10.058 -21.058 249 HB3 ALA 30 2HB ALA 30 -27.522 -8.952 -20.380 Start of MODEL 17 1 H1 MET 1 H MET 1 0.124 -1.214 0.130 2 HA MET 1 HA MET 1 1.463 0.863 0.384 3 HB2 MET 1 2HB MET 1 3.204 1.211 -1.386 4 HB3 MET 1 3HB MET 1 3.592 -0.049 -0.222 5 HG2 MET 1 2HG MET 1 2.202 -1.230 -2.401 6 HG3 MET 1 3HG MET 1 3.498 -0.220 -3.036 7 HE1 MET 1 3HE MET 1 2.865 -3.104 -3.297 8 HE2 MET 1 1HE MET 1 4.426 -3.922 -3.222 9 HE3 MET 1 2HE MET 1 3.249 -4.151 -1.929 10 H LYS 2 H LYS 2 0.236 -0.900 -2.377 11 HA LYS 2 HA LYS 2 -0.601 1.556 -3.708 12 HB2 LYS 2 2HB LYS 2 -0.579 -1.347 -4.473 13 HB3 LYS 2 3HB LYS 2 -1.561 -0.199 -5.372 14 HG2 LYS 2 2HG LYS 2 1.163 0.731 -4.990 15 HG3 LYS 2 3HG LYS 2 1.079 -0.809 -5.848 16 HD2 LYS 2 2HD LYS 2 -0.064 0.089 -7.626 17 HD3 LYS 2 3HD LYS 2 -0.768 1.386 -6.658 18 HE2 LYS 2 2HE LYS 2 1.263 2.606 -6.656 19 HE3 LYS 2 3HE LYS 2 2.169 1.234 -7.292 20 HZ1 LYS 2 3HZ LYS 2 1.663 1.803 -9.364 21 HZ2 LYS 2 1HZ LYS 2 1.091 3.274 -8.753 22 HZ3 LYS 2 2HZ LYS 2 0.019 1.991 -9.011 23 H THR 3 H THR 3 -2.345 2.463 -2.798 24 HA THR 3 HA THR 3 -4.329 1.234 -1.313 25 HB THR 3 HB THR 3 -5.595 3.356 -2.679 26 HG1 THR 3 HG1 THR 3 -4.071 4.827 -2.998 27 HG21 THR 3 1HG2 THR 3 -6.076 3.369 -0.464 28 HG22 THR 3 2HG2 THR 3 -4.726 4.503 -0.402 29 HG23 THR 3 3HG2 THR 3 -4.471 2.804 -0.002 30 H ILE 4 H ILE 4 -3.947 1.413 -4.765 31 HA ILE 4 HA ILE 4 -6.578 0.860 -5.566 32 HB ILE 4 HB ILE 4 -5.626 0.081 -7.675 33 HG12 ILE 4 2HG1 ILE 4 -2.872 0.538 -7.363 34 HG13 ILE 4 3HG1 ILE 4 -3.338 -0.462 -5.991 35 HG21 ILE 4 1HG2 ILE 4 -4.563 2.113 -8.337 36 HG22 ILE 4 2HG2 ILE 4 -5.775 2.514 -7.121 37 HG23 ILE 4 3HG2 ILE 4 -4.068 2.458 -6.680 38 HD11 ILE 4 3HD1 ILE 4 -4.471 -1.972 -7.699 39 HD12 ILE 4 1HD1 ILE 4 -3.559 -1.076 -8.914 40 HD13 ILE 4 2HD1 ILE 4 -2.707 -1.969 -7.654 41 H LEU 5 H LEU 5 -4.113 -1.165 -4.217 42 HA LEU 5 HA LEU 5 -4.916 -3.679 -5.109 43 HB2 LEU 5 2HB LEU 5 -3.789 -2.928 -2.415 44 HB3 LEU 5 3HB LEU 5 -3.841 -4.556 -3.088 45 HG LEU 5 HG LEU 5 -2.325 -2.301 -4.385 46 HD11 LEU 5 1HD1 LEU 5 -1.723 -3.286 -1.910 47 HD12 LEU 5 2HD1 LEU 5 -0.563 -2.586 -3.039 48 HD13 LEU 5 3HD1 LEU 5 -0.779 -4.335 -2.968 49 HD21 LEU 5 3HD2 LEU 5 -3.016 -4.424 -5.643 50 HD22 LEU 5 1HD2 LEU 5 -1.842 -5.252 -4.623 51 HD23 LEU 5 2HD2 LEU 5 -1.317 -3.953 -5.694 52 H ARG 6 H ARG 6 -6.020 -1.808 -2.305 53 HA ARG 6 HA ARG 6 -7.714 -3.689 -1.165 54 HB2 ARG 6 2HB ARG 6 -7.794 -0.684 -1.244 55 HB3 ARG 6 3HB ARG 6 -9.024 -1.608 -0.394 56 HG2 ARG 6 2HG ARG 6 -7.661 -2.087 1.316 57 HG3 ARG 6 3HG ARG 6 -6.272 -2.363 0.262 58 HD2 ARG 6 2HD ARG 6 -5.541 -0.461 1.250 59 HD3 ARG 6 3HD ARG 6 -6.505 0.284 -0.023 60 HE ARG 6 HE ARG 6 -7.963 1.040 1.571 61 HH11 ARG 6 1HH1 ARG 6 -5.935 -1.428 2.955 62 HH12 ARG 6 2HH1 ARG 6 -6.499 -1.168 4.572 63 HH21 ARG 6 1HH2 ARG 6 -8.714 1.391 3.697 64 HH22 ARG 6 2HH2 ARG 6 -8.080 0.435 4.992 65 H PHE 7 H PHE 7 -8.165 -1.663 -3.971 66 HA PHE 7 HA PHE 7 -10.986 -2.075 -4.186 67 HB2 PHE 7 2HB PHE 7 -8.950 -1.131 -6.214 68 HB3 PHE 7 3HB PHE 7 -10.692 -1.126 -6.474 69 HD1 PHE 7 HD2 PHE 7 -8.014 0.256 -4.318 70 HD2 PHE 7 HD1 PHE 7 -12.009 0.654 -5.734 71 HE1 PHE 7 HE2 PHE 7 -8.158 2.481 -3.278 72 HE2 PHE 7 HE1 PHE 7 -12.158 2.880 -4.697 73 HZ PHE 7 HZ PHE 7 -10.232 3.797 -3.466 74 H VAL 8 H VAL 8 -8.278 -3.235 -6.202 75 HA VAL 8 HA VAL 8 -9.743 -5.079 -7.693 76 HB VAL 8 HB VAL 8 -7.415 -4.310 -8.204 77 HG11 VAL 8 1HG1 VAL 8 -6.445 -4.591 -5.989 78 HG12 VAL 8 2HG1 VAL 8 -6.667 -6.337 -6.098 79 HG13 VAL 8 3HG1 VAL 8 -5.544 -5.521 -7.186 80 HG21 VAL 8 3HG2 VAL 8 -8.555 -6.300 -9.258 81 HG22 VAL 8 1HG2 VAL 8 -6.792 -6.303 -9.327 82 HG23 VAL 8 2HG2 VAL 8 -7.630 -7.313 -8.148 83 H ALA 9 H ALA 9 -8.376 -5.314 -4.493 84 HA ALA 9 HA ALA 9 -8.306 -8.075 -4.148 85 HB1 ALA 9 3HB ALA 9 -7.325 -6.952 -2.406 86 HB2 ALA 9 1HB ALA 9 -8.619 -5.758 -2.302 87 HB3 ALA 9 2HB ALA 9 -8.871 -7.388 -1.677 88 H GLY 10 H GLY 10 -11.005 -5.921 -4.359 89 HA2 GLY 10 2HA GLY 10 -12.860 -7.819 -3.167 90 HA3 GLY 10 3HA GLY 10 -13.260 -6.236 -3.818 91 H TYR 11 H TYR 11 -11.744 -6.918 -6.325 92 HA TYR 11 HA TYR 11 -13.939 -7.816 -7.844 93 HB2 TYR 11 2HB TYR 11 -12.265 -6.422 -8.869 94 HB3 TYR 11 3HB TYR 11 -11.004 -7.602 -8.529 95 HD1 TYR 11 HD2 TYR 11 -14.407 -7.993 -10.017 96 HD2 TYR 11 HD1 TYR 11 -10.205 -8.376 -10.561 97 HE1 TYR 11 HE2 TYR 11 -14.792 -9.030 -12.213 98 HE2 TYR 11 HE1 TYR 11 -10.578 -9.413 -12.760 99 HH TYR 11 HH TYR 11 -12.336 -9.461 -14.497 100 H ASP 12 H ASP 12 -10.930 -9.454 -6.894 101 HA ASP 12 HA ASP 12 -11.399 -11.895 -8.154 102 HB2 ASP 12 2HB ASP 12 -9.300 -11.002 -6.883 103 HB3 ASP 12 3HB ASP 12 -10.041 -11.769 -5.481 104 H ILE 13 H ILE 13 -12.720 -10.570 -5.225 105 HA ILE 13 HA ILE 13 -13.781 -13.097 -4.304 106 HB ILE 13 HB ILE 13 -14.474 -10.335 -3.304 107 HG12 ILE 13 2HG1 ILE 13 -12.048 -10.675 -3.201 108 HG13 ILE 13 3HG1 ILE 13 -12.751 -10.693 -1.586 109 HG21 ILE 13 1HG2 ILE 13 -16.041 -11.980 -2.558 110 HG22 ILE 13 2HG2 ILE 13 -14.745 -13.087 -2.110 111 HG23 ILE 13 3HG2 ILE 13 -14.978 -11.590 -1.208 112 HD11 ILE 13 3HD1 ILE 13 -11.066 -12.412 -1.819 113 HD12 ILE 13 1HD1 ILE 13 -12.657 -13.134 -1.582 114 HD13 ILE 13 2HD1 ILE 13 -11.933 -13.103 -3.190 115 H ALA 14 H ALA 14 -14.899 -10.295 -6.080 116 HA ALA 14 HA ALA 14 -17.678 -10.972 -5.948 117 HB1 ALA 14 3HB ALA 14 -16.736 -9.276 -8.169 118 HB2 ALA 14 1HB ALA 14 -18.044 -9.018 -7.015 119 HB3 ALA 14 2HB ALA 14 -16.375 -8.698 -6.543 120 H SER 15 H SER 15 -15.012 -11.850 -7.981 121 HA SER 15 HA SER 15 -16.319 -12.596 -10.322 122 HB2 SER 15 2HB SER 15 -13.842 -13.666 -8.972 123 HB3 SER 15 3HB SER 15 -14.400 -14.285 -10.526 124 HG SER 15 HG SER 15 -14.074 -11.519 -10.138 125 H HIS 16 H HIS 16 -15.605 -14.566 -7.444 126 HA HIS 16 HA HIS 16 -17.142 -16.790 -8.460 127 HB2 HIS 16 2HB HIS 16 -16.514 -17.925 -6.418 128 HB3 HIS 16 3HB HIS 16 -15.098 -17.113 -7.079 129 HD1 HIS 16 HD1 HIS 16 -17.586 -16.852 -4.265 130 HD2 HIS 16 HD2 HIS 16 -13.959 -15.204 -5.443 131 HE1 HIS 16 HE1 HIS 16 -16.779 -15.520 -2.289 132 H LYS 17 H LYS 17 -17.561 -14.178 -6.162 133 HA LYS 17 HA LYS 17 -19.792 -15.068 -4.769 134 HB2 LYS 17 2HB LYS 17 -18.474 -13.001 -4.275 135 HB3 LYS 17 3HB LYS 17 -19.263 -12.223 -5.641 136 HG2 LYS 17 2HG LYS 17 -21.086 -11.770 -4.454 137 HG3 LYS 17 3HG LYS 17 -21.170 -13.410 -3.807 138 HD2 LYS 17 2HD LYS 17 -20.788 -12.236 -1.879 139 HD3 LYS 17 3HD LYS 17 -19.126 -12.581 -2.363 140 HE2 LYS 17 2HE LYS 17 -19.344 -10.309 -3.640 141 HE3 LYS 17 3HE LYS 17 -20.656 -10.019 -2.499 142 HZ1 LYS 17 3HZ LYS 17 -19.052 -9.286 -1.157 143 HZ2 LYS 17 1HZ LYS 17 -17.815 -9.999 -2.065 144 HZ3 LYS 17 2HZ LYS 17 -18.654 -10.912 -0.915 145 H LYS 18 H LYS 18 -19.583 -13.481 -7.916 146 HA LYS 18 HA LYS 18 -22.072 -14.603 -8.751 147 HB2 LYS 18 2HB LYS 18 -22.233 -12.137 -7.412 148 HB3 LYS 18 3HB LYS 18 -22.405 -11.758 -9.121 149 HG2 LYS 18 2HG LYS 18 -24.561 -12.228 -8.817 150 HG3 LYS 18 3HG LYS 18 -24.053 -13.919 -8.850 151 HD2 LYS 18 2HD LYS 18 -23.584 -13.131 -6.237 152 HD3 LYS 18 3HD LYS 18 -25.102 -12.333 -6.654 153 HE2 LYS 18 2HE LYS 18 -25.703 -14.697 -7.629 154 HE3 LYS 18 3HE LYS 18 -24.455 -15.241 -6.509 155 HZ1 LYS 18 3HZ LYS 18 -26.888 -15.125 -5.717 156 HZ2 LYS 18 1HZ LYS 18 -26.608 -13.463 -5.572 157 HZ3 LYS 18 2HZ LYS 18 -25.671 -14.559 -4.688 158 H LYS 19 H LYS 19 -22.278 -14.609 -10.957 159 HA LYS 19 HA LYS 19 -21.073 -12.835 -12.747 160 HB2 LYS 19 2HB LYS 19 -19.195 -14.571 -11.596 161 HB3 LYS 19 3HB LYS 19 -19.507 -15.226 -13.198 162 HG2 LYS 19 2HG LYS 19 -18.881 -12.325 -12.787 163 HG3 LYS 19 3HG LYS 19 -17.609 -13.539 -12.943 164 HD2 LYS 19 2HD LYS 19 -17.844 -13.574 -15.155 165 HD3 LYS 19 3HD LYS 19 -19.574 -13.893 -15.010 166 HE2 LYS 19 2HE LYS 19 -19.085 -11.829 -16.270 167 HE3 LYS 19 3HE LYS 19 -20.034 -11.530 -14.814 168 HZ1 LYS 19 3HZ LYS 19 -18.273 -10.525 -13.764 169 HZ2 LYS 19 1HZ LYS 19 -18.012 -10.034 -15.363 170 HZ3 LYS 19 2HZ LYS 19 -17.104 -11.302 -14.707 171 H THR 20 H THR 20 -21.787 -13.191 -14.799 172 HA THR 20 HA THR 20 -22.838 -15.811 -15.529 173 HB THR 20 HB THR 20 -25.014 -15.020 -16.160 174 HG1 THR 20 HG1 THR 20 -24.045 -12.466 -15.351 175 HG21 THR 20 1HG2 THR 20 -24.355 -14.016 -13.388 176 HG22 THR 20 2HG2 THR 20 -24.746 -15.682 -13.812 177 HG23 THR 20 3HG2 THR 20 -25.962 -14.419 -13.989 178 H GLY 21 H GLY 21 -24.086 -15.250 -17.858 179 HA2 GLY 21 2HA GLY 21 -22.225 -13.602 -19.428 180 HA3 GLY 21 3HA GLY 21 -22.463 -15.283 -19.879 181 H GLY 22 H GLY 22 -24.158 -12.204 -19.426 182 HA2 GLY 22 2HA GLY 22 -25.607 -11.287 -21.068 183 HA3 GLY 22 3HA GLY 22 -25.857 -12.904 -21.710 184 H TYR 23 H TYR 23 -27.250 -10.453 -19.974 185 HA TYR 23 HA TYR 23 -28.920 -12.181 -18.322 186 HB2 TYR 23 2HB TYR 23 -28.979 -9.170 -18.590 187 HB3 TYR 23 3HB TYR 23 -29.791 -10.129 -17.359 188 HD1 TYR 23 HD1 TYR 23 -26.470 -9.069 -18.607 189 HD2 TYR 23 HD2 TYR 23 -28.654 -10.810 -15.397 190 HE1 TYR 23 HE1 TYR 23 -24.487 -8.880 -17.163 191 HE2 TYR 23 HE2 TYR 23 -26.678 -10.625 -13.945 192 HH TYR 23 HH TYR 23 -24.011 -10.515 -14.473 193 HA PRO 24 HA PRO 24 -32.374 -12.295 -21.027 194 HB2 PRO 24 2HB PRO 24 -34.444 -12.193 -19.273 195 HB3 PRO 24 3HB PRO 24 -33.413 -13.617 -19.461 196 HG2 PRO 24 2HG PRO 24 -33.308 -11.465 -17.383 197 HG3 PRO 24 3HG PRO 24 -33.142 -13.220 -17.186 198 HD2 PRO 24 2HD PRO 24 -31.010 -11.553 -17.234 199 HD3 PRO 24 3HD PRO 24 -30.937 -13.214 -17.855 200 H TRP 25 H TRP 25 -32.190 -9.680 -18.700 201 HA TRP 25 HA TRP 25 -33.896 -8.041 -20.458 202 HB2 TRP 25 2HB TRP 25 -34.806 -6.977 -18.641 203 HB3 TRP 25 3HB TRP 25 -34.468 -8.543 -17.910 204 HD1 TRP 25 HD1 TRP 25 -33.702 -4.906 -17.553 205 HE1 TRP 25 HE1 TRP 25 -32.017 -4.546 -15.641 206 HE3 TRP 25 HE3 TRP 25 -32.293 -9.762 -16.788 207 HZ2 TRP 25 HZ2 TRP 25 -30.317 -6.113 -14.022 208 HZ3 TRP 25 HZ3 TRP 25 -30.632 -10.245 -15.038 209 HH2 TRP 25 HH2 TRP 25 -29.665 -8.458 -13.685 210 H GLU 26 H GLU 26 -30.856 -8.280 -18.764 211 HA GLU 26 HA GLU 26 -30.059 -5.628 -19.726 212 HB2 GLU 26 2HB GLU 26 -29.417 -7.214 -17.396 213 HB3 GLU 26 3HB GLU 26 -27.952 -6.744 -18.248 214 HG2 GLU 26 2HG GLU 26 -29.567 -4.454 -18.150 215 HG3 GLU 26 3HG GLU 26 -29.643 -5.185 -16.548 216 H ARG 27 H ARG 27 -29.796 -6.188 -21.919 217 HA ARG 27 HA ARG 27 -27.719 -8.155 -22.542 218 HB2 ARG 27 2HB ARG 27 -30.008 -8.072 -23.718 219 HB3 ARG 27 3HB ARG 27 -29.380 -6.658 -24.554 220 HG2 ARG 27 2HG ARG 27 -27.544 -8.904 -24.647 221 HG3 ARG 27 3HG ARG 27 -29.117 -9.277 -25.353 222 HD2 ARG 27 2HD ARG 27 -27.384 -6.912 -26.064 223 HD3 ARG 27 3HD ARG 27 -27.546 -8.387 -27.016 224 HE ARG 27 HE ARG 27 -29.389 -6.193 -26.900 225 HH11 ARG 27 1HH1 ARG 27 -29.061 -9.606 -27.502 226 HH12 ARG 27 2HH1 ARG 27 -30.470 -9.696 -28.506 227 HH21 ARG 27 1HH2 ARG 27 -31.246 -6.299 -28.220 228 HH22 ARG 27 2HH2 ARG 27 -31.712 -7.814 -28.915 229 H GLY 28 H GLY 28 -28.354 -4.743 -22.537 230 HA2 GLY 28 2HA GLY 28 -25.565 -4.227 -23.164 231 HA3 GLY 28 3HA GLY 28 -26.724 -3.585 -24.318 232 H LYS 29 H LYS 29 -24.848 -2.661 -21.890 233 HA LYS 29 HA LYS 29 -26.773 -0.965 -20.510 234 HB2 LYS 29 2HB LYS 29 -24.997 -0.428 -18.995 235 HB3 LYS 29 3HB LYS 29 -24.961 -2.166 -19.266 236 HG2 LYS 29 2HG LYS 29 -23.129 -1.859 -20.874 237 HG3 LYS 29 3HG LYS 29 -23.146 -0.127 -20.538 238 HD2 LYS 29 2HD LYS 29 -22.808 -0.802 -18.084 239 HD3 LYS 29 3HD LYS 29 -22.370 -2.389 -18.722 240 HE2 LYS 29 2HE LYS 29 -20.309 -1.631 -19.051 241 HE3 LYS 29 3HE LYS 29 -20.952 -0.517 -20.256 242 HZ1 LYS 29 3HZ LYS 29 -19.615 0.359 -18.212 243 HZ2 LYS 29 1HZ LYS 29 -21.107 0.231 -17.425 244 HZ3 LYS 29 2HZ LYS 29 -20.953 1.217 -18.791 245 H ALA 30 H ALA 30 -24.315 -0.787 -22.955 246 HA ALA 30 HA ALA 30 -24.031 2.068 -22.881 247 HB1 ALA 30 3HB ALA 30 -22.927 1.623 -25.165 248 HB2 ALA 30 1HB ALA 30 -22.151 0.984 -23.715 249 HB3 ALA 30 2HB ALA 30 -23.103 -0.082 -24.750 Start of MODEL 18 1 H1 MET 1 H MET 1 3.243 1.431 -0.399 2 HA MET 1 HA MET 1 2.372 -0.585 -1.296 3 HB2 MET 1 2HB MET 1 1.209 -0.635 1.319 4 HB3 MET 1 3HB MET 1 -0.059 -0.902 0.131 5 HG2 MET 1 2HG MET 1 0.929 -2.841 -0.676 6 HG3 MET 1 3HG MET 1 2.503 -2.432 -0.001 7 HE1 MET 1 3HE MET 1 0.058 -5.516 1.294 8 HE2 MET 1 1HE MET 1 -1.147 -4.230 1.362 9 HE3 MET 1 2HE MET 1 -0.177 -4.452 -0.093 10 H LYS 2 H LYS 2 0.636 -0.846 -2.795 11 HA LYS 2 HA LYS 2 -0.378 1.616 -3.785 12 HB2 LYS 2 2HB LYS 2 -0.621 -1.257 -4.555 13 HB3 LYS 2 3HB LYS 2 -1.778 -0.117 -5.228 14 HG2 LYS 2 2HG LYS 2 -0.116 1.084 -6.352 15 HG3 LYS 2 3HG LYS 2 1.177 0.365 -5.390 16 HD2 LYS 2 2HD LYS 2 1.044 -1.674 -6.520 17 HD3 LYS 2 3HD LYS 2 -0.572 -1.328 -7.143 18 HE2 LYS 2 2HE LYS 2 1.737 0.399 -7.932 19 HE3 LYS 2 3HE LYS 2 1.499 -1.161 -8.717 20 HZ1 LYS 2 3HZ LYS 2 -0.948 0.236 -8.621 21 HZ2 LYS 2 1HZ LYS 2 -0.076 -0.282 -9.976 22 HZ3 LYS 2 2HZ LYS 2 0.233 1.238 -9.301 23 H THR 3 H THR 3 -2.444 2.440 -3.795 24 HA THR 3 HA THR 3 -4.146 1.569 -1.617 25 HB THR 3 HB THR 3 -5.345 3.655 -3.188 26 HG1 THR 3 HG1 THR 3 -3.352 4.249 -3.945 27 HG21 THR 3 1HG2 THR 3 -5.259 2.999 -0.599 28 HG22 THR 3 2HG2 THR 3 -5.629 4.633 -1.150 29 HG23 THR 3 3HG2 THR 3 -4.000 4.232 -0.609 30 H ILE 4 H ILE 4 -3.946 1.128 -5.000 31 HA ILE 4 HA ILE 4 -6.732 0.692 -5.495 32 HB ILE 4 HB ILE 4 -6.000 -0.255 -7.649 33 HG12 ILE 4 2HG1 ILE 4 -3.365 0.215 -7.952 34 HG13 ILE 4 3HG1 ILE 4 -3.383 -0.241 -6.251 35 HG21 ILE 4 1HG2 ILE 4 -6.229 2.214 -7.236 36 HG22 ILE 4 2HG2 ILE 4 -4.477 2.270 -7.050 37 HG23 ILE 4 3HG2 ILE 4 -5.184 1.770 -8.585 38 HD11 ILE 4 3HD1 ILE 4 -4.333 -2.368 -6.767 39 HD12 ILE 4 1HD1 ILE 4 -4.566 -1.910 -8.453 40 HD13 ILE 4 2HD1 ILE 4 -2.935 -2.114 -7.812 41 H LEU 5 H LEU 5 -4.151 -1.202 -4.232 42 HA LEU 5 HA LEU 5 -4.865 -3.786 -4.903 43 HB2 LEU 5 2HB LEU 5 -3.926 -2.994 -2.160 44 HB3 LEU 5 3HB LEU 5 -3.645 -4.513 -3.009 45 HG LEU 5 HG LEU 5 -2.418 -1.835 -3.665 46 HD11 LEU 5 1HD1 LEU 5 -1.608 -3.142 -1.633 47 HD12 LEU 5 2HD1 LEU 5 -0.401 -2.687 -2.835 48 HD13 LEU 5 3HD1 LEU 5 -1.017 -4.339 -2.785 49 HD21 LEU 5 3HD2 LEU 5 -2.934 -3.280 -5.648 50 HD22 LEU 5 1HD2 LEU 5 -1.863 -4.500 -4.955 51 HD23 LEU 5 2HD2 LEU 5 -1.222 -2.921 -5.413 52 H ARG 6 H ARG 6 -6.019 -1.845 -2.154 53 HA ARG 6 HA ARG 6 -7.697 -3.738 -0.999 54 HB2 ARG 6 2HB ARG 6 -8.113 -0.746 -1.131 55 HB3 ARG 6 3HB ARG 6 -8.882 -1.841 0.009 56 HG2 ARG 6 2HG ARG 6 -6.373 -2.443 0.577 57 HG3 ARG 6 3HG ARG 6 -6.099 -0.821 -0.064 58 HD2 ARG 6 2HD ARG 6 -7.092 0.179 1.695 59 HD3 ARG 6 3HD ARG 6 -8.341 -1.059 1.822 60 HE ARG 6 HE ARG 6 -7.055 -2.149 3.373 61 HH11 ARG 6 1HH1 ARG 6 -5.102 0.209 1.717 62 HH12 ARG 6 2HH1 ARG 6 -3.742 0.017 2.774 63 HH21 ARG 6 1HH2 ARG 6 -5.272 -2.411 4.771 64 HH22 ARG 6 2HH2 ARG 6 -3.840 -1.475 4.510 65 H PHE 7 H PHE 7 -8.199 -1.657 -3.770 66 HA PHE 7 HA PHE 7 -11.006 -2.144 -3.983 67 HB2 PHE 7 2HB PHE 7 -8.980 -1.031 -5.927 68 HB3 PHE 7 3HB PHE 7 -10.697 -1.166 -6.294 69 HD1 PHE 7 HD2 PHE 7 -8.205 0.500 -4.162 70 HD2 PHE 7 HD1 PHE 7 -12.277 0.361 -5.391 71 HE1 PHE 7 HE2 PHE 7 -8.599 2.680 -3.091 72 HE2 PHE 7 HE1 PHE 7 -12.678 2.541 -4.322 73 HZ PHE 7 HZ PHE 7 -10.838 3.702 -3.169 74 H VAL 8 H VAL 8 -8.281 -3.162 -6.052 75 HA VAL 8 HA VAL 8 -9.690 -4.996 -7.598 76 HB VAL 8 HB VAL 8 -7.372 -4.163 -8.061 77 HG11 VAL 8 1HG1 VAL 8 -6.451 -4.534 -5.816 78 HG12 VAL 8 2HG1 VAL 8 -6.577 -6.278 -6.060 79 HG13 VAL 8 3HG1 VAL 8 -5.484 -5.323 -7.063 80 HG21 VAL 8 3HG2 VAL 8 -7.745 -7.158 -8.123 81 HG22 VAL 8 1HG2 VAL 8 -8.350 -6.014 -9.322 82 HG23 VAL 8 2HG2 VAL 8 -6.613 -6.236 -9.113 83 H ALA 9 H ALA 9 -8.408 -5.282 -4.380 84 HA ALA 9 HA ALA 9 -8.288 -8.070 -4.137 85 HB1 ALA 9 3HB ALA 9 -7.327 -6.547 -2.488 86 HB2 ALA 9 1HB ALA 9 -8.946 -6.036 -2.008 87 HB3 ALA 9 2HB ALA 9 -8.425 -7.698 -1.728 88 H GLY 10 H GLY 10 -10.987 -5.927 -4.304 89 HA2 GLY 10 2HA GLY 10 -12.834 -7.845 -3.128 90 HA3 GLY 10 3HA GLY 10 -13.238 -6.250 -3.746 91 H TYR 11 H TYR 11 -11.757 -6.855 -6.279 92 HA TYR 11 HA TYR 11 -13.960 -7.761 -7.787 93 HB2 TYR 11 2HB TYR 11 -12.359 -6.299 -8.816 94 HB3 TYR 11 3HB TYR 11 -11.044 -7.426 -8.505 95 HD1 TYR 11 HD2 TYR 11 -14.429 -8.104 -9.899 96 HD2 TYR 11 HD1 TYR 11 -10.239 -7.974 -10.625 97 HE1 TYR 11 HE2 TYR 11 -14.787 -9.122 -12.110 98 HE2 TYR 11 HE1 TYR 11 -10.585 -8.991 -12.838 99 HH TYR 11 HH TYR 11 -13.678 -9.296 -14.256 100 H ASP 12 H ASP 12 -10.889 -9.341 -6.941 101 HA ASP 12 HA ASP 12 -11.279 -11.751 -8.263 102 HB2 ASP 12 2HB ASP 12 -9.243 -10.819 -6.880 103 HB3 ASP 12 3HB ASP 12 -9.980 -11.735 -5.568 104 H ILE 13 H ILE 13 -12.702 -10.561 -5.328 105 HA ILE 13 HA ILE 13 -13.718 -13.158 -4.536 106 HB ILE 13 HB ILE 13 -14.440 -10.464 -3.386 107 HG12 ILE 13 2HG1 ILE 13 -11.997 -10.847 -3.311 108 HG13 ILE 13 3HG1 ILE 13 -12.718 -10.854 -1.705 109 HG21 ILE 13 1HG2 ILE 13 -14.707 -12.101 -1.338 110 HG22 ILE 13 2HG2 ILE 13 -16.003 -11.882 -2.512 111 HG23 ILE 13 3HG2 ILE 13 -14.947 -13.291 -2.617 112 HD11 ILE 13 3HD1 ILE 13 -11.076 -12.606 -1.897 113 HD12 ILE 13 1HD1 ILE 13 -12.684 -13.308 -1.727 114 HD13 ILE 13 2HD1 ILE 13 -11.903 -13.266 -3.309 115 H ALA 14 H ALA 14 -14.816 -10.324 -6.241 116 HA ALA 14 HA ALA 14 -17.602 -10.894 -6.105 117 HB1 ALA 14 3HB ALA 14 -16.100 -9.216 -8.112 118 HB2 ALA 14 1HB ALA 14 -17.842 -9.200 -7.834 119 HB3 ALA 14 2HB ALA 14 -16.741 -8.647 -6.571 120 H SER 15 H SER 15 -14.999 -12.017 -8.090 121 HA SER 15 HA SER 15 -16.371 -12.823 -10.381 122 HB2 SER 15 2HB SER 15 -13.842 -13.658 -9.040 123 HB3 SER 15 3HB SER 15 -14.490 -14.709 -10.299 124 HG SER 15 HG SER 15 -13.215 -13.274 -11.351 125 H HIS 16 H HIS 16 -15.840 -14.520 -7.318 126 HA HIS 16 HA HIS 16 -17.274 -16.863 -8.183 127 HB2 HIS 16 2HB HIS 16 -16.183 -16.005 -5.500 128 HB3 HIS 16 3HB HIS 16 -17.031 -17.527 -5.754 129 HD1 HIS 16 HD1 HIS 16 -14.555 -18.361 -4.853 130 HD2 HIS 16 HD2 HIS 16 -14.815 -16.914 -8.739 131 HE1 HIS 16 HE1 HIS 16 -12.506 -19.221 -6.030 132 H LYS 17 H LYS 17 -17.935 -14.026 -6.203 133 HA LYS 17 HA LYS 17 -20.353 -14.792 -5.065 134 HB2 LYS 17 2HB LYS 17 -19.136 -12.748 -4.443 135 HB3 LYS 17 3HB LYS 17 -19.528 -12.038 -6.004 136 HG2 LYS 17 2HG LYS 17 -21.954 -12.289 -5.382 137 HG3 LYS 17 3HG LYS 17 -21.407 -12.705 -3.755 138 HD2 LYS 17 2HD LYS 17 -21.817 -10.415 -3.623 139 HD3 LYS 17 3HD LYS 17 -20.072 -10.506 -3.875 140 HE2 LYS 17 2HE LYS 17 -20.199 -9.677 -6.000 141 HE3 LYS 17 3HE LYS 17 -21.815 -10.326 -6.274 142 HZ1 LYS 17 3HZ LYS 17 -21.742 -8.318 -4.226 143 HZ2 LYS 17 1HZ LYS 17 -22.752 -8.446 -5.578 144 HZ3 LYS 17 2HZ LYS 17 -21.224 -7.735 -5.727 145 H LYS 18 H LYS 18 -19.641 -13.576 -8.281 146 HA LYS 18 HA LYS 18 -20.879 -13.462 -10.184 147 HB2 LYS 18 2HB LYS 18 -21.464 -15.857 -9.186 148 HB3 LYS 18 3HB LYS 18 -23.058 -15.131 -9.021 149 HG2 LYS 18 2HG LYS 18 -23.462 -15.242 -11.213 150 HG3 LYS 18 3HG LYS 18 -21.839 -14.694 -11.638 151 HD2 LYS 18 2HD LYS 18 -20.972 -16.838 -11.624 152 HD3 LYS 18 3HD LYS 18 -22.236 -17.453 -10.557 153 HE2 LYS 18 2HE LYS 18 -22.636 -16.613 -13.427 154 HE3 LYS 18 3HE LYS 18 -22.449 -18.277 -12.875 155 HZ1 LYS 18 3HZ LYS 18 -24.766 -16.614 -12.849 156 HZ2 LYS 18 1HZ LYS 18 -24.447 -17.252 -11.315 157 HZ3 LYS 18 2HZ LYS 18 -24.643 -18.287 -12.637 158 H LYS 19 H LYS 19 -21.400 -11.286 -10.009 159 HA LYS 19 HA LYS 19 -23.568 -10.312 -8.453 160 HB2 LYS 19 2HB LYS 19 -23.186 -8.206 -9.522 161 HB3 LYS 19 3HB LYS 19 -21.616 -8.946 -9.236 162 HG2 LYS 19 2HG LYS 19 -21.245 -8.345 -11.366 163 HG3 LYS 19 3HG LYS 19 -22.110 -9.842 -11.725 164 HD2 LYS 19 2HD LYS 19 -23.186 -8.285 -13.072 165 HD3 LYS 19 3HD LYS 19 -24.229 -8.360 -11.650 166 HE2 LYS 19 2HE LYS 19 -23.683 -6.262 -10.974 167 HE3 LYS 19 3HE LYS 19 -22.037 -6.371 -11.596 168 HZ1 LYS 19 3HZ LYS 19 -23.448 -4.775 -12.811 169 HZ2 LYS 19 1HZ LYS 19 -24.448 -6.050 -13.298 170 HZ3 LYS 19 2HZ LYS 19 -22.835 -5.998 -13.805 171 H THR 20 H THR 20 -23.438 -11.999 -11.377 172 HA THR 20 HA THR 20 -25.849 -10.872 -12.512 173 HB THR 20 HB THR 20 -25.617 -12.606 -14.239 174 HG1 THR 20 HG1 THR 20 -24.732 -14.290 -13.017 175 HG21 THR 20 1HG2 THR 20 -24.185 -11.247 -15.272 176 HG22 THR 20 2HG2 THR 20 -22.850 -11.842 -14.284 177 HG23 THR 20 3HG2 THR 20 -23.834 -10.492 -13.718 178 H GLY 21 H GLY 21 -27.216 -11.280 -10.635 179 HA2 GLY 21 2HA GLY 21 -29.020 -13.301 -10.922 180 HA3 GLY 21 3HA GLY 21 -27.791 -13.995 -9.876 181 H GLY 22 H GLY 22 -29.186 -10.722 -10.048 182 HA2 GLY 22 2HA GLY 22 -30.419 -11.118 -7.429 183 HA3 GLY 22 3HA GLY 22 -29.165 -9.891 -7.537 184 H TYR 23 H TYR 23 -31.584 -10.688 -9.984 185 HA TYR 23 HA TYR 23 -32.681 -7.973 -9.648 186 HB2 TYR 23 2HB TYR 23 -32.592 -9.602 -12.194 187 HB3 TYR 23 3HB TYR 23 -33.151 -7.941 -12.029 188 HD1 TYR 23 HD2 TYR 23 -30.159 -10.113 -11.845 189 HD2 TYR 23 HD1 TYR 23 -31.631 -6.129 -12.101 190 HE1 TYR 23 HE2 TYR 23 -27.881 -9.307 -12.307 191 HE2 TYR 23 HE1 TYR 23 -29.358 -5.313 -12.564 192 HH TYR 23 HH TYR 23 -27.251 -5.905 -13.048 193 HA PRO 24 HA PRO 24 -36.678 -9.644 -8.949 194 HB2 PRO 24 2HB PRO 24 -38.258 -7.802 -10.166 195 HB3 PRO 24 3HB PRO 24 -37.405 -7.484 -8.651 196 HG2 PRO 24 2HG PRO 24 -36.658 -6.709 -11.444 197 HG3 PRO 24 3HG PRO 24 -36.575 -5.749 -9.956 198 HD2 PRO 24 2HD PRO 24 -34.403 -6.951 -11.039 199 HD3 PRO 24 3HD PRO 24 -34.595 -6.725 -9.289 200 H TRP 25 H TRP 25 -35.764 -8.885 -12.246 201 HA TRP 25 HA TRP 25 -37.721 -10.867 -13.209 202 HB2 TRP 25 2HB TRP 25 -38.097 -9.630 -15.103 203 HB3 TRP 25 3HB TRP 25 -37.705 -8.325 -13.986 204 HD1 TRP 25 HD1 TRP 25 -36.623 -9.852 -17.217 205 HE1 TRP 25 HE1 TRP 25 -34.512 -8.666 -18.088 206 HE3 TRP 25 HE3 TRP 25 -35.416 -7.173 -13.034 207 HZ2 TRP 25 HZ2 TRP 25 -32.589 -6.836 -17.128 208 HZ3 TRP 25 HZ3 TRP 25 -33.424 -5.728 -13.093 209 HH2 TRP 25 HH2 TRP 25 -32.042 -5.565 -15.099 210 H GLU 26 H GLU 26 -34.390 -9.832 -13.223 211 HA GLU 26 HA GLU 26 -33.660 -12.047 -15.001 212 HB2 GLU 26 2HB GLU 26 -32.596 -9.404 -14.519 213 HB3 GLU 26 3HB GLU 26 -31.347 -10.623 -14.305 214 HG2 GLU 26 2HG GLU 26 -32.730 -11.318 -16.645 215 HG3 GLU 26 3HG GLU 26 -32.467 -9.577 -16.718 216 H ARG 27 H ARG 27 -33.967 -13.732 -13.496 217 HA ARG 27 HA ARG 27 -32.363 -13.715 -11.065 218 HB2 ARG 27 2HB ARG 27 -33.563 -15.657 -10.413 219 HB3 ARG 27 3HB ARG 27 -34.740 -14.577 -11.149 220 HG2 ARG 27 2HG ARG 27 -35.368 -16.423 -12.252 221 HG3 ARG 27 3HG ARG 27 -34.004 -16.029 -13.300 222 HD2 ARG 27 2HD ARG 27 -33.090 -17.505 -11.017 223 HD3 ARG 27 3HD ARG 27 -34.412 -18.372 -11.798 224 HE ARG 27 HE ARG 27 -31.764 -17.980 -12.818 225 HH11 ARG 27 1HH1 ARG 27 -35.094 -18.501 -13.691 226 HH12 ARG 27 2HH1 ARG 27 -34.716 -19.209 -15.226 227 HH21 ARG 27 1HH2 ARG 27 -31.254 -18.910 -14.837 228 HH22 ARG 27 2HH2 ARG 27 -32.532 -19.443 -15.877 229 H GLY 28 H GLY 28 -32.328 -15.050 -14.267 230 HA2 GLY 28 2HA GLY 28 -30.245 -16.981 -13.593 231 HA3 GLY 28 3HA GLY 28 -31.021 -16.790 -15.158 232 H LYS 29 H LYS 29 -28.862 -16.919 -16.045 233 HA LYS 29 HA LYS 29 -27.247 -14.498 -15.639 234 HB2 LYS 29 2HB LYS 29 -25.409 -15.745 -16.664 235 HB3 LYS 29 3HB LYS 29 -26.071 -16.617 -15.288 236 HG2 LYS 29 2HG LYS 29 -27.255 -18.120 -16.743 237 HG3 LYS 29 3HG LYS 29 -26.764 -17.190 -18.161 238 HD2 LYS 29 2HD LYS 29 -24.935 -18.443 -18.314 239 HD3 LYS 29 3HD LYS 29 -24.409 -17.832 -16.744 240 HE2 LYS 29 2HE LYS 29 -26.182 -19.680 -15.942 241 HE3 LYS 29 3HE LYS 29 -25.670 -20.408 -17.464 242 HZ1 LYS 29 3HZ LYS 29 -24.217 -21.244 -15.855 243 HZ2 LYS 29 1HZ LYS 29 -24.011 -19.739 -15.108 244 HZ3 LYS 29 2HZ LYS 29 -23.327 -20.030 -16.628 245 H ALA 30 H ALA 30 -29.002 -16.352 -18.023 246 HA ALA 30 HA ALA 30 -29.216 -14.112 -19.767 247 HB1 ALA 30 3HB ALA 30 -27.158 -14.463 -20.691 248 HB2 ALA 30 1HB ALA 30 -27.185 -16.197 -20.369 249 HB3 ALA 30 2HB ALA 30 -28.124 -15.533 -21.707 Start of MODEL 19 1 H1 MET 1 H MET 1 0.048 0.375 0.473 2 HA MET 1 HA MET 1 2.423 1.167 -0.400 3 HB2 MET 1 2HB MET 1 1.997 -1.663 -1.283 4 HB3 MET 1 3HB MET 1 2.880 -0.553 -2.323 5 HG2 MET 1 2HG MET 1 4.571 -0.232 -0.712 6 HG3 MET 1 3HG MET 1 3.616 -1.007 0.550 7 HE1 MET 1 3HE MET 1 2.621 -3.881 -0.881 8 HE2 MET 1 1HE MET 1 3.917 -4.690 0.000 9 HE3 MET 1 2HE MET 1 3.062 -3.335 0.737 10 H LYS 2 H LYS 2 -0.164 -0.700 -1.996 11 HA LYS 2 HA LYS 2 -0.688 1.662 -3.681 12 HB2 LYS 2 2HB LYS 2 -0.605 -1.254 -4.392 13 HB3 LYS 2 3HB LYS 2 -1.593 -0.139 -5.328 14 HG2 LYS 2 2HG LYS 2 0.482 1.243 -5.664 15 HG3 LYS 2 3HG LYS 2 1.390 -0.096 -4.959 16 HD2 LYS 2 2HD LYS 2 0.018 -1.473 -6.771 17 HD3 LYS 2 3HD LYS 2 0.003 0.097 -7.580 18 HE2 LYS 2 2HE LYS 2 2.036 -0.375 -8.346 19 HE3 LYS 2 3HE LYS 2 2.623 -0.229 -6.689 20 HZ1 LYS 2 3HZ LYS 2 2.073 -2.625 -6.414 21 HZ2 LYS 2 1HZ LYS 2 3.311 -2.324 -7.527 22 HZ3 LYS 2 2HZ LYS 2 1.757 -2.705 -8.074 23 H THR 3 H THR 3 -2.460 2.556 -2.814 24 HA THR 3 HA THR 3 -4.448 1.321 -1.340 25 HB THR 3 HB THR 3 -5.660 3.428 -2.840 26 HG1 THR 3 HG1 THR 3 -3.688 4.219 -3.440 27 HG21 THR 3 1HG2 THR 3 -5.534 4.587 -0.632 28 HG22 THR 3 2HG2 THR 3 -4.551 3.249 -0.039 29 HG23 THR 3 3HG2 THR 3 -6.216 2.963 -0.548 30 H ILE 4 H ILE 4 -4.012 1.447 -4.787 31 HA ILE 4 HA ILE 4 -6.622 0.841 -5.621 32 HB ILE 4 HB ILE 4 -5.622 0.041 -7.701 33 HG12 ILE 4 2HG1 ILE 4 -2.881 0.547 -7.352 34 HG13 ILE 4 3HG1 ILE 4 -3.354 -0.436 -5.972 35 HG21 ILE 4 1HG2 ILE 4 -5.071 2.115 -8.396 36 HG22 ILE 4 2HG2 ILE 4 -5.580 2.567 -6.770 37 HG23 ILE 4 3HG2 ILE 4 -3.868 2.338 -7.126 38 HD11 ILE 4 3HD1 ILE 4 -2.678 -1.967 -7.588 39 HD12 ILE 4 1HD1 ILE 4 -4.438 -1.989 -7.681 40 HD13 ILE 4 2HD1 ILE 4 -3.503 -1.103 -8.885 41 H LEU 5 H LEU 5 -4.146 -1.122 -4.200 42 HA LEU 5 HA LEU 5 -4.894 -3.663 -5.062 43 HB2 LEU 5 2HB LEU 5 -3.826 -2.849 -2.362 44 HB3 LEU 5 3HB LEU 5 -3.842 -4.490 -3.007 45 HG LEU 5 HG LEU 5 -2.338 -2.233 -4.317 46 HD11 LEU 5 1HD1 LEU 5 -0.782 -4.216 -2.844 47 HD12 LEU 5 2HD1 LEU 5 -1.765 -3.174 -1.816 48 HD13 LEU 5 3HD1 LEU 5 -0.600 -2.464 -2.933 49 HD21 LEU 5 3HD2 LEU 5 -1.274 -3.898 -5.571 50 HD22 LEU 5 1HD2 LEU 5 -2.972 -4.375 -5.561 51 HD23 LEU 5 2HD2 LEU 5 -1.822 -5.185 -4.497 52 H ARG 6 H ARG 6 -6.078 -1.764 -2.308 53 HA ARG 6 HA ARG 6 -7.761 -3.654 -1.167 54 HB2 ARG 6 2HB ARG 6 -7.801 -0.658 -1.269 55 HB3 ARG 6 3HB ARG 6 -9.134 -1.526 -0.522 56 HG2 ARG 6 2HG ARG 6 -7.840 -2.301 1.214 57 HG3 ARG 6 3HG ARG 6 -6.339 -2.152 0.299 58 HD2 ARG 6 2HD ARG 6 -6.076 -0.330 1.615 59 HD3 ARG 6 3HD ARG 6 -7.061 0.422 0.361 60 HE ARG 6 HE ARG 6 -8.715 0.699 1.905 61 HH11 ARG 6 1HH1 ARG 6 -6.544 -1.778 3.033 62 HH12 ARG 6 2HH1 ARG 6 -7.321 -1.941 4.572 63 HH21 ARG 6 1HH2 ARG 6 -9.747 0.494 3.930 64 HH22 ARG 6 2HH2 ARG 6 -9.143 -0.649 5.081 65 H PHE 7 H PHE 7 -8.195 -1.680 -4.012 66 HA PHE 7 HA PHE 7 -11.005 -2.141 -4.269 67 HB2 PHE 7 2HB PHE 7 -8.950 -1.198 -6.278 68 HB3 PHE 7 3HB PHE 7 -10.687 -1.224 -6.566 69 HD1 PHE 7 HD2 PHE 7 -8.067 0.232 -4.388 70 HD2 PHE 7 HD1 PHE 7 -12.041 0.549 -5.879 71 HE1 PHE 7 HE2 PHE 7 -8.262 2.471 -3.387 72 HE2 PHE 7 HE1 PHE 7 -12.242 2.789 -4.882 73 HZ PHE 7 HZ PHE 7 -10.350 3.753 -3.632 74 H VAL 8 H VAL 8 -8.244 -3.290 -6.219 75 HA VAL 8 HA VAL 8 -9.654 -5.182 -7.704 76 HB VAL 8 HB VAL 8 -7.331 -4.384 -8.189 77 HG11 VAL 8 1HG1 VAL 8 -6.588 -6.362 -6.036 78 HG12 VAL 8 2HG1 VAL 8 -5.457 -5.546 -7.117 79 HG13 VAL 8 3HG1 VAL 8 -6.395 -4.611 -5.952 80 HG21 VAL 8 3HG2 VAL 8 -7.695 -7.378 -8.095 81 HG22 VAL 8 1HG2 VAL 8 -8.309 -6.303 -9.352 82 HG23 VAL 8 2HG2 VAL 8 -6.570 -6.501 -9.133 83 H ALA 9 H ALA 9 -8.338 -5.343 -4.478 84 HA ALA 9 HA ALA 9 -8.230 -8.096 -4.085 85 HB1 ALA 9 3HB ALA 9 -7.369 -6.402 -2.503 86 HB2 ALA 9 1HB ALA 9 -9.030 -6.030 -2.041 87 HB3 ALA 9 2HB ALA 9 -8.363 -7.632 -1.724 88 H GLY 10 H GLY 10 -10.960 -5.991 -4.377 89 HA2 GLY 10 2HA GLY 10 -12.807 -7.886 -3.177 90 HA3 GLY 10 3HA GLY 10 -13.218 -6.332 -3.886 91 H TYR 11 H TYR 11 -11.868 -6.815 -6.394 92 HA TYR 11 HA TYR 11 -13.939 -7.876 -7.896 93 HB2 TYR 11 2HB TYR 11 -12.255 -6.478 -8.917 94 HB3 TYR 11 3HB TYR 11 -10.998 -7.659 -8.565 95 HD1 TYR 11 HD1 TYR 11 -14.398 -8.194 -9.988 96 HD2 TYR 11 HD2 TYR 11 -10.198 -8.313 -10.653 97 HE1 TYR 11 HE1 TYR 11 -14.781 -9.247 -12.178 98 HE2 TYR 11 HE2 TYR 11 -10.568 -9.365 -12.846 99 HH TYR 11 HH TYR 11 -13.351 -9.338 -14.451 100 H ASP 12 H ASP 12 -10.941 -9.459 -6.835 101 HA ASP 12 HA ASP 12 -11.351 -11.931 -8.065 102 HB2 ASP 12 2HB ASP 12 -9.267 -11.042 -6.843 103 HB3 ASP 12 3HB ASP 12 -10.032 -11.642 -5.374 104 H ILE 13 H ILE 13 -12.732 -10.567 -5.177 105 HA ILE 13 HA ILE 13 -13.800 -13.091 -4.251 106 HB ILE 13 HB ILE 13 -14.488 -10.322 -3.270 107 HG12 ILE 13 2HG1 ILE 13 -12.080 -10.646 -3.107 108 HG13 ILE 13 3HG1 ILE 13 -12.801 -10.732 -1.504 109 HG21 ILE 13 1HG2 ILE 13 -15.162 -11.464 -1.232 110 HG22 ILE 13 2HG2 ILE 13 -16.050 -12.095 -2.618 111 HG23 ILE 13 3HG2 ILE 13 -14.711 -13.017 -1.936 112 HD11 ILE 13 3HD1 ILE 13 -11.839 -12.692 -1.193 113 HD12 ILE 13 1HD1 ILE 13 -12.740 -13.355 -2.556 114 HD13 ILE 13 2HD1 ILE 13 -11.155 -12.626 -2.817 115 H ALA 14 H ALA 14 -14.953 -10.213 -5.919 116 HA ALA 14 HA ALA 14 -17.710 -10.938 -5.861 117 HB1 ALA 14 3HB ALA 14 -16.175 -8.968 -7.541 118 HB2 ALA 14 1HB ALA 14 -17.925 -9.175 -7.633 119 HB3 ALA 14 2HB ALA 14 -17.177 -8.636 -6.128 120 H SER 15 H SER 15 -15.024 -11.741 -7.896 121 HA SER 15 HA SER 15 -16.262 -12.423 -10.275 122 HB2 SER 15 2HB SER 15 -13.714 -12.712 -9.192 123 HB3 SER 15 3HB SER 15 -14.224 -14.365 -9.530 124 HG SER 15 HG SER 15 -14.247 -13.951 -11.622 125 H HIS 16 H HIS 16 -15.594 -14.580 -7.515 126 HA HIS 16 HA HIS 16 -17.204 -16.689 -8.620 127 HB2 HIS 16 2HB HIS 16 -16.668 -17.908 -6.589 128 HB3 HIS 16 3HB HIS 16 -15.212 -17.138 -7.214 129 HD1 HIS 16 HD1 HIS 16 -17.639 -16.986 -4.368 130 HD2 HIS 16 HD2 HIS 16 -14.099 -15.176 -5.573 131 HE1 HIS 16 HE1 HIS 16 -16.824 -15.701 -2.365 132 H LYS 17 H LYS 17 -17.667 -14.058 -6.398 133 HA LYS 17 HA LYS 17 -19.913 -14.941 -4.999 134 HB2 LYS 17 2HB LYS 17 -18.574 -12.864 -4.535 135 HB3 LYS 17 3HB LYS 17 -19.393 -12.102 -5.893 136 HG2 LYS 17 2HG LYS 17 -21.088 -11.546 -4.588 137 HG3 LYS 17 3HG LYS 17 -21.353 -13.239 -4.168 138 HD2 LYS 17 2HD LYS 17 -19.319 -11.459 -2.830 139 HD3 LYS 17 3HD LYS 17 -20.947 -11.743 -2.210 140 HE2 LYS 17 2HE LYS 17 -19.581 -14.218 -2.844 141 HE3 LYS 17 3HE LYS 17 -18.677 -13.250 -1.680 142 HZ1 LYS 17 3HZ LYS 17 -21.179 -13.076 -0.725 143 HZ2 LYS 17 1HZ LYS 17 -20.035 -14.209 -0.204 144 HZ3 LYS 17 2HZ LYS 17 -21.187 -14.643 -1.364 145 H LYS 18 H LYS 18 -19.988 -12.625 -7.711 146 HA LYS 18 HA LYS 18 -22.713 -13.500 -8.316 147 HB2 LYS 18 2HB LYS 18 -22.128 -11.055 -8.051 148 HB3 LYS 18 3HB LYS 18 -21.200 -11.191 -9.539 149 HG2 LYS 18 2HG LYS 18 -23.094 -10.549 -10.531 150 HG3 LYS 18 3HG LYS 18 -23.600 -12.224 -10.299 151 HD2 LYS 18 2HD LYS 18 -25.367 -11.282 -9.266 152 HD3 LYS 18 3HD LYS 18 -24.258 -11.164 -7.898 153 HE2 LYS 18 2HE LYS 18 -23.708 -8.894 -8.477 154 HE3 LYS 18 3HE LYS 18 -24.648 -9.002 -9.964 155 HZ1 LYS 18 3HZ LYS 18 -26.085 -9.586 -7.508 156 HZ2 LYS 18 1HZ LYS 18 -26.578 -8.713 -8.871 157 HZ3 LYS 18 2HZ LYS 18 -25.596 -7.978 -7.706 158 H LYS 19 H LYS 19 -21.717 -15.562 -9.121 159 HA LYS 19 HA LYS 19 -20.638 -15.283 -11.840 160 HB2 LYS 19 2HB LYS 19 -19.439 -16.660 -10.030 161 HB3 LYS 19 3HB LYS 19 -20.730 -17.834 -10.244 162 HG2 LYS 19 2HG LYS 19 -19.641 -17.079 -12.792 163 HG3 LYS 19 3HG LYS 19 -18.360 -17.619 -11.704 164 HD2 LYS 19 2HD LYS 19 -20.909 -19.156 -12.181 165 HD3 LYS 19 3HD LYS 19 -19.416 -19.431 -13.082 166 HE2 LYS 19 2HE LYS 19 -18.429 -19.587 -10.615 167 HE3 LYS 19 3HE LYS 19 -20.088 -20.067 -10.262 168 HZ1 LYS 19 3HZ LYS 19 -18.036 -21.462 -11.790 169 HZ2 LYS 19 1HZ LYS 19 -19.623 -21.590 -12.364 170 HZ3 LYS 19 2HZ LYS 19 -19.251 -22.082 -10.789 171 H THR 20 H THR 20 -23.538 -15.332 -10.629 172 HA THR 20 HA THR 20 -24.744 -16.517 -12.925 173 HB THR 20 HB THR 20 -24.378 -18.603 -11.773 174 HG1 THR 20 HG1 THR 20 -26.485 -18.182 -12.767 175 HG21 THR 20 1HG2 THR 20 -25.173 -19.044 -9.536 176 HG22 THR 20 2HG2 THR 20 -25.868 -17.426 -9.424 177 HG23 THR 20 3HG2 THR 20 -24.117 -17.631 -9.500 178 H GLY 21 H GLY 21 -26.760 -15.709 -13.266 179 HA2 GLY 21 2HA GLY 21 -28.609 -14.919 -11.338 180 HA3 GLY 21 3HA GLY 21 -27.623 -13.512 -11.703 181 H GLY 22 H GLY 22 -27.535 -12.791 -13.950 182 HA2 GLY 22 2HA GLY 22 -28.423 -12.495 -16.081 183 HA3 GLY 22 3HA GLY 22 -29.547 -13.809 -15.767 184 H TYR 23 H TYR 23 -29.508 -10.704 -16.535 185 HA TYR 23 HA TYR 23 -31.729 -9.939 -14.768 186 HB2 TYR 23 2HB TYR 23 -30.118 -8.182 -16.629 187 HB3 TYR 23 3HB TYR 23 -31.300 -7.646 -15.440 188 HD1 TYR 23 HD2 TYR 23 -27.973 -9.219 -15.839 189 HD2 TYR 23 HD1 TYR 23 -30.690 -7.308 -13.180 190 HE1 TYR 23 HE2 TYR 23 -26.188 -9.036 -14.155 191 HE2 TYR 23 HE1 TYR 23 -28.913 -7.119 -11.490 192 HH TYR 23 HH TYR 23 -26.066 -7.080 -11.811 193 HA PRO 24 HA PRO 24 -34.721 -10.246 -17.963 194 HB2 PRO 24 2HB PRO 24 -36.355 -8.157 -17.381 195 HB3 PRO 24 3HB PRO 24 -36.287 -9.626 -16.401 196 HG2 PRO 24 2HG PRO 24 -34.970 -6.978 -15.938 197 HG3 PRO 24 3HG PRO 24 -35.798 -8.034 -14.779 198 HD2 PRO 24 2HD PRO 24 -33.100 -7.935 -14.991 199 HD3 PRO 24 3HD PRO 24 -33.970 -9.416 -14.540 200 H TRP 25 H TRP 25 -33.077 -7.179 -17.535 201 HA TRP 25 HA TRP 25 -33.627 -6.530 -20.357 202 HB2 TRP 25 2HB TRP 25 -33.761 -4.296 -19.853 203 HB3 TRP 25 3HB TRP 25 -34.332 -4.964 -18.327 204 HD1 TRP 25 HD1 TRP 25 -31.675 -2.770 -19.765 205 HE1 TRP 25 HE1 TRP 25 -30.037 -2.046 -17.917 206 HE3 TRP 25 HE3 TRP 25 -33.171 -5.959 -16.061 207 HZ2 TRP 25 HZ2 TRP 25 -29.455 -2.736 -15.242 208 HZ3 TRP 25 HZ3 TRP 25 -32.022 -5.865 -13.887 209 HH2 TRP 25 HH2 TRP 25 -30.201 -4.286 -13.488 210 H GLU 26 H GLU 26 -31.194 -6.915 -17.886 211 HA GLU 26 HA GLU 26 -29.081 -6.201 -19.792 212 HB2 GLU 26 2HB GLU 26 -29.379 -5.988 -16.925 213 HB3 GLU 26 3HB GLU 26 -27.915 -6.874 -17.331 214 HG2 GLU 26 2HG GLU 26 -27.993 -4.661 -19.053 215 HG3 GLU 26 3HG GLU 26 -28.428 -4.064 -17.451 216 H ARG 27 H ARG 27 -29.215 -8.076 -21.081 217 HA ARG 27 HA ARG 27 -28.272 -10.535 -19.757 218 HB2 ARG 27 2HB ARG 27 -29.260 -11.618 -21.913 219 HB3 ARG 27 3HB ARG 27 -30.338 -11.151 -20.603 220 HG2 ARG 27 2HG ARG 27 -31.301 -10.494 -22.700 221 HG3 ARG 27 3HG ARG 27 -30.830 -9.050 -21.801 222 HD2 ARG 27 2HD ARG 27 -30.241 -8.912 -24.189 223 HD3 ARG 27 3HD ARG 27 -28.828 -8.828 -23.137 224 HE ARG 27 HE ARG 27 -29.373 -11.489 -24.024 225 HH11 ARG 27 1HH1 ARG 27 -27.908 -8.462 -24.924 226 HH12 ARG 27 2HH1 ARG 27 -26.800 -9.181 -26.045 227 HH21 ARG 27 1HH2 ARG 27 -27.919 -12.449 -25.497 228 HH22 ARG 27 2HH2 ARG 27 -26.808 -11.449 -26.371 229 H GLY 28 H GLY 28 -26.736 -8.241 -20.898 230 HA2 GLY 28 2HA GLY 28 -25.130 -9.820 -22.808 231 HA3 GLY 28 3HA GLY 28 -25.466 -8.118 -23.090 232 H LYS 29 H LYS 29 -23.646 -10.419 -21.217 233 HA LYS 29 HA LYS 29 -22.459 -8.792 -19.319 234 HB2 LYS 29 2HB LYS 29 -20.618 -10.404 -19.291 235 HB3 LYS 29 3HB LYS 29 -22.172 -11.223 -19.372 236 HG2 LYS 29 2HG LYS 29 -21.514 -10.962 -22.014 237 HG3 LYS 29 3HG LYS 29 -19.944 -11.233 -21.252 238 HD2 LYS 29 2HD LYS 29 -20.478 -13.347 -20.590 239 HD3 LYS 29 3HD LYS 29 -22.193 -12.973 -20.402 240 HE2 LYS 29 2HE LYS 29 -22.192 -12.762 -22.975 241 HE3 LYS 29 3HE LYS 29 -20.665 -13.638 -22.895 242 HZ1 LYS 29 3HZ LYS 29 -21.759 -15.527 -22.626 243 HZ2 LYS 29 1HZ LYS 29 -23.219 -14.702 -22.848 244 HZ3 LYS 29 2HZ LYS 29 -22.602 -14.922 -21.289 245 H ALA 30 H ALA 30 -21.740 -9.127 -22.735 246 HA ALA 30 HA ALA 30 -20.127 -6.708 -22.611 247 HB1 ALA 30 3HB ALA 30 -18.391 -7.891 -24.106 248 HB2 ALA 30 1HB ALA 30 -18.340 -8.172 -22.365 249 HB3 ALA 30 2HB ALA 30 -19.054 -9.381 -23.435 Start of MODEL 20 1 H1 MET 1 H MET 1 1.725 0.144 0.218 2 HA MET 1 HA MET 1 3.039 1.076 -1.879 3 HB2 MET 1 2HB MET 1 1.854 -1.507 -1.266 4 HB3 MET 1 3HB MET 1 1.982 -1.242 -3.000 5 HG2 MET 1 2HG MET 1 4.236 -1.321 -2.990 6 HG3 MET 1 3HG MET 1 4.364 -0.574 -1.399 7 HE1 MET 1 3HE MET 1 1.967 -3.796 -1.750 8 HE2 MET 1 1HE MET 1 2.962 -3.640 -3.199 9 HE3 MET 1 2HE MET 1 3.233 -4.979 -2.083 10 H LYS 2 H LYS 2 -0.252 -0.220 -2.367 11 HA LYS 2 HA LYS 2 -0.804 1.930 -4.255 12 HB2 LYS 2 2HB LYS 2 -0.688 -0.984 -4.965 13 HB3 LYS 2 3HB LYS 2 -1.779 0.095 -5.823 14 HG2 LYS 2 2HG LYS 2 0.077 1.463 -6.541 15 HG3 LYS 2 3HG LYS 2 1.199 0.482 -5.595 16 HD2 LYS 2 2HD LYS 2 0.253 -1.485 -7.014 17 HD3 LYS 2 3HD LYS 2 -0.267 -0.204 -8.113 18 HE2 LYS 2 2HE LYS 2 1.959 0.527 -8.457 19 HE3 LYS 2 3HE LYS 2 2.561 -0.443 -7.113 20 HZ1 LYS 2 3HZ LYS 2 1.488 -2.331 -8.648 21 HZ2 LYS 2 1HZ LYS 2 3.105 -1.849 -8.761 22 HZ3 LYS 2 2HZ LYS 2 1.961 -1.229 -9.841 23 H THR 3 H THR 3 -2.530 2.775 -3.258 24 HA THR 3 HA THR 3 -4.357 1.488 -1.627 25 HB THR 3 HB THR 3 -5.757 3.543 -3.028 26 HG1 THR 3 HG1 THR 3 -4.238 4.928 -3.507 27 HG21 THR 3 1HG2 THR 3 -6.109 3.114 -0.701 28 HG22 THR 3 2HG2 THR 3 -5.434 4.737 -0.842 29 HG23 THR 3 3HG2 THR 3 -4.408 3.396 -0.335 30 H ILE 4 H ILE 4 -4.198 1.606 -5.099 31 HA ILE 4 HA ILE 4 -6.843 0.911 -5.723 32 HB ILE 4 HB ILE 4 -5.985 0.130 -7.871 33 HG12 ILE 4 2HG1 ILE 4 -3.243 0.722 -7.741 34 HG13 ILE 4 3HG1 ILE 4 -3.576 -0.266 -6.323 35 HG21 ILE 4 1HG2 ILE 4 -4.615 2.635 -6.904 36 HG22 ILE 4 2HG2 ILE 4 -4.890 2.200 -8.589 37 HG23 ILE 4 3HG2 ILE 4 -6.260 2.523 -7.528 38 HD11 ILE 4 3HD1 ILE 4 -2.974 -1.780 -7.991 39 HD12 ILE 4 1HD1 ILE 4 -4.734 -1.870 -7.923 40 HD13 ILE 4 2HD1 ILE 4 -3.946 -0.960 -9.212 41 H LEU 5 H LEU 5 -4.205 -0.965 -4.492 42 HA LEU 5 HA LEU 5 -4.939 -3.532 -5.281 43 HB2 LEU 5 2HB LEU 5 -3.686 -2.668 -2.678 44 HB3 LEU 5 3HB LEU 5 -3.700 -4.312 -3.314 45 HG LEU 5 HG LEU 5 -2.378 -2.019 -4.747 46 HD11 LEU 5 1HD1 LEU 5 -0.669 -3.956 -3.370 47 HD12 LEU 5 2HD1 LEU 5 -1.576 -2.890 -2.298 48 HD13 LEU 5 3HD1 LEU 5 -0.511 -2.206 -3.526 49 HD21 LEU 5 3HD2 LEU 5 -1.378 -3.650 -6.085 50 HD22 LEU 5 1HD2 LEU 5 -3.044 -4.201 -5.916 51 HD23 LEU 5 2HD2 LEU 5 -1.767 -4.948 -4.957 52 H ARG 6 H ARG 6 -5.957 -1.651 -2.451 53 HA ARG 6 HA ARG 6 -7.485 -3.583 -1.169 54 HB2 ARG 6 2HB ARG 6 -7.546 -0.599 -1.257 55 HB3 ARG 6 3HB ARG 6 -8.886 -1.444 -0.493 56 HG2 ARG 6 2HG ARG 6 -7.355 -2.531 1.044 57 HG3 ARG 6 3HG ARG 6 -5.986 -1.749 0.254 58 HD2 ARG 6 2HD ARG 6 -6.409 0.264 1.210 59 HD3 ARG 6 3HD ARG 6 -8.155 0.021 1.202 60 HE ARG 6 HE ARG 6 -7.057 -1.749 3.054 61 HH11 ARG 6 1HH1 ARG 6 -7.420 1.683 2.599 62 HH12 ARG 6 2HH1 ARG 6 -7.451 2.036 4.294 63 HH21 ARG 6 1HH2 ARG 6 -7.096 -1.296 5.289 64 HH22 ARG 6 2HH2 ARG 6 -7.265 0.341 5.823 65 H PHE 7 H PHE 7 -8.206 -1.645 -3.981 66 HA PHE 7 HA PHE 7 -11.011 -2.194 -4.010 67 HB2 PHE 7 2HB PHE 7 -9.153 -1.202 -6.181 68 HB3 PHE 7 3HB PHE 7 -10.906 -1.285 -6.331 69 HD1 PHE 7 HD2 PHE 7 -8.169 0.269 -4.377 70 HD2 PHE 7 HD1 PHE 7 -12.258 0.448 -5.546 71 HE1 PHE 7 HE2 PHE 7 -8.355 2.509 -3.374 72 HE2 PHE 7 HE1 PHE 7 -12.449 2.689 -4.546 73 HZ PHE 7 HZ PHE 7 -10.497 3.721 -3.457 74 H VAL 8 H VAL 8 -8.379 -3.272 -6.168 75 HA VAL 8 HA VAL 8 -9.843 -5.219 -7.526 76 HB VAL 8 HB VAL 8 -7.592 -4.350 -8.198 77 HG11 VAL 8 1HG1 VAL 8 -5.605 -5.449 -7.280 78 HG12 VAL 8 2HG1 VAL 8 -6.473 -4.537 -6.043 79 HG13 VAL 8 3HG1 VAL 8 -6.617 -6.295 -6.109 80 HG21 VAL 8 3HG2 VAL 8 -7.842 -7.354 -8.068 81 HG22 VAL 8 1HG2 VAL 8 -8.609 -6.310 -9.265 82 HG23 VAL 8 2HG2 VAL 8 -6.852 -6.440 -9.205 83 H ALA 9 H ALA 9 -8.283 -5.308 -4.411 84 HA ALA 9 HA ALA 9 -8.022 -8.040 -3.999 85 HB1 ALA 9 3HB ALA 9 -7.160 -6.308 -2.475 86 HB2 ALA 9 1HB ALA 9 -8.809 -5.983 -1.939 87 HB3 ALA 9 2HB ALA 9 -8.074 -7.556 -1.629 88 H GLY 10 H GLY 10 -10.877 -6.077 -4.117 89 HA2 GLY 10 2HA GLY 10 -12.536 -8.110 -2.854 90 HA3 GLY 10 3HA GLY 10 -13.074 -6.548 -3.451 91 H TYR 11 H TYR 11 -11.673 -7.051 -6.050 92 HA TYR 11 HA TYR 11 -13.852 -8.021 -7.503 93 HB2 TYR 11 2HB TYR 11 -12.165 -6.594 -8.521 94 HB3 TYR 11 3HB TYR 11 -10.941 -7.840 -8.303 95 HD1 TYR 11 HD2 TYR 11 -14.435 -8.037 -9.601 96 HD2 TYR 11 HD1 TYR 11 -10.290 -8.538 -10.414 97 HE1 TYR 11 HE2 TYR 11 -14.987 -8.957 -11.815 98 HE2 TYR 11 HE1 TYR 11 -10.829 -9.458 -12.630 99 HH TYR 11 HH TYR 11 -13.947 -10.426 -13.509 100 H ASP 12 H ASP 12 -10.922 -9.644 -6.383 101 HA ASP 12 HA ASP 12 -11.187 -12.061 -7.725 102 HB2 ASP 12 2HB ASP 12 -9.232 -11.321 -6.315 103 HB3 ASP 12 3HB ASP 12 -10.176 -11.756 -4.894 104 H ILE 13 H ILE 13 -12.884 -10.843 -4.932 105 HA ILE 13 HA ILE 13 -14.091 -13.413 -4.338 106 HB ILE 13 HB ILE 13 -14.713 -10.707 -3.148 107 HG12 ILE 13 2HG1 ILE 13 -13.359 -12.277 -1.274 108 HG13 ILE 13 3HG1 ILE 13 -12.472 -12.515 -2.776 109 HG21 ILE 13 1HG2 ILE 13 -15.602 -12.115 -1.269 110 HG22 ILE 13 2HG2 ILE 13 -16.529 -12.193 -2.766 111 HG23 ILE 13 3HG2 ILE 13 -15.441 -13.512 -2.333 112 HD11 ILE 13 3HD1 ILE 13 -13.083 -9.881 -1.457 113 HD12 ILE 13 1HD1 ILE 13 -11.520 -10.694 -1.522 114 HD13 ILE 13 2HD1 ILE 13 -12.257 -10.078 -3.002 115 H ALA 14 H ALA 14 -14.938 -10.389 -5.900 116 HA ALA 14 HA ALA 14 -17.730 -10.917 -6.109 117 HB1 ALA 14 3HB ALA 14 -17.733 -9.056 -7.725 118 HB2 ALA 14 1HB ALA 14 -16.901 -8.650 -6.224 119 HB3 ALA 14 2HB ALA 14 -15.971 -9.033 -7.673 120 H SER 15 H SER 15 -14.938 -11.833 -7.948 121 HA SER 15 HA SER 15 -16.065 -12.359 -10.439 122 HB2 SER 15 2HB SER 15 -13.822 -13.781 -8.989 123 HB3 SER 15 3HB SER 15 -14.217 -14.038 -10.689 124 HG SER 15 HG SER 15 -13.368 -11.623 -9.465 125 H HIS 16 H HIS 16 -16.164 -14.202 -7.464 126 HA HIS 16 HA HIS 16 -17.523 -16.421 -8.793 127 HB2 HIS 16 2HB HIS 16 -16.248 -16.033 -6.114 128 HB3 HIS 16 3HB HIS 16 -17.478 -17.279 -6.300 129 HD1 HIS 16 HD1 HIS 16 -16.927 -18.995 -8.406 130 HD2 HIS 16 HD2 HIS 16 -13.761 -16.891 -6.728 131 HE1 HIS 16 HE1 HIS 16 -14.853 -20.241 -9.093 132 H LYS 17 H LYS 17 -18.078 -13.990 -6.282 133 HA LYS 17 HA LYS 17 -20.595 -14.754 -5.421 134 HB2 LYS 17 2HB LYS 17 -19.395 -12.992 -4.302 135 HB3 LYS 17 3HB LYS 17 -19.418 -11.991 -5.747 136 HG2 LYS 17 2HG LYS 17 -21.634 -11.424 -5.485 137 HG3 LYS 17 3HG LYS 17 -21.994 -12.856 -4.518 138 HD2 LYS 17 2HD LYS 17 -20.157 -10.693 -3.530 139 HD3 LYS 17 3HD LYS 17 -21.905 -10.603 -3.309 140 HE2 LYS 17 2HE LYS 17 -21.550 -11.749 -1.422 141 HE3 LYS 17 3HE LYS 17 -21.332 -13.148 -2.471 142 HZ1 LYS 17 3HZ LYS 17 -19.084 -13.100 -2.226 143 HZ2 LYS 17 1HZ LYS 17 -19.523 -12.460 -0.723 144 HZ3 LYS 17 2HZ LYS 17 -19.016 -11.431 -1.965 145 H LYS 18 H LYS 18 -19.651 -13.085 -8.349 146 HA LYS 18 HA LYS 18 -22.418 -12.572 -9.092 147 HB2 LYS 18 2HB LYS 18 -20.644 -10.895 -9.558 148 HB3 LYS 18 3HB LYS 18 -19.877 -12.045 -10.645 149 HG2 LYS 18 2HG LYS 18 -22.392 -11.991 -11.649 150 HG3 LYS 18 3HG LYS 18 -22.228 -10.339 -11.048 151 HD2 LYS 18 2HD LYS 18 -20.183 -11.673 -12.812 152 HD3 LYS 18 3HD LYS 18 -21.516 -10.699 -13.436 153 HE2 LYS 18 2HE LYS 18 -20.303 -8.867 -13.112 154 HE3 LYS 18 3HE LYS 18 -20.280 -9.205 -11.382 155 HZ1 LYS 18 3HZ LYS 18 -18.349 -10.745 -11.935 156 HZ2 LYS 18 1HZ LYS 18 -18.051 -9.080 -11.986 157 HZ3 LYS 18 2HZ LYS 18 -18.277 -9.943 -13.423 158 H LYS 19 H LYS 19 -22.756 -14.993 -8.995 159 HA LYS 19 HA LYS 19 -21.748 -16.451 -11.303 160 HB2 LYS 19 2HB LYS 19 -21.981 -17.442 -8.965 161 HB3 LYS 19 3HB LYS 19 -23.718 -17.449 -9.248 162 HG2 LYS 19 2HG LYS 19 -22.315 -18.665 -11.451 163 HG3 LYS 19 3HG LYS 19 -21.888 -19.435 -9.920 164 HD2 LYS 19 2HD LYS 19 -24.711 -18.942 -10.864 165 HD3 LYS 19 3HD LYS 19 -23.847 -20.471 -11.045 166 HE2 LYS 19 2HE LYS 19 -23.511 -20.364 -8.510 167 HE3 LYS 19 3HE LYS 19 -24.751 -19.111 -8.524 168 HZ1 LYS 19 3HZ LYS 19 -25.374 -21.583 -9.933 169 HZ2 LYS 19 1HZ LYS 19 -26.373 -20.588 -8.998 170 HZ3 LYS 19 2HZ LYS 19 -25.315 -21.671 -8.245 171 H THR 20 H THR 20 -24.403 -14.522 -10.501 172 HA THR 20 HA THR 20 -25.807 -15.418 -12.917 173 HB THR 20 HB THR 20 -26.939 -16.398 -10.916 174 HG1 THR 20 HG1 THR 20 -28.375 -14.434 -12.403 175 HG21 THR 20 1HG2 THR 20 -28.201 -14.926 -9.435 176 HG22 THR 20 2HG2 THR 20 -27.551 -13.513 -10.265 177 HG23 THR 20 3HG2 THR 20 -26.478 -14.565 -9.343 178 H GLY 21 H GLY 21 -24.085 -13.074 -11.987 179 HA2 GLY 21 2HA GLY 21 -23.996 -10.888 -12.767 180 HA3 GLY 21 3HA GLY 21 -25.657 -11.049 -13.318 181 H GLY 22 H GLY 22 -27.358 -10.541 -11.923 182 HA2 GLY 22 2HA GLY 22 -28.283 -9.858 -9.852 183 HA3 GLY 22 3HA GLY 22 -26.660 -9.511 -9.271 184 H TYR 23 H TYR 23 -27.963 -8.430 -12.351 185 HA TYR 23 HA TYR 23 -27.980 -5.675 -11.307 186 HB2 TYR 23 2HB TYR 23 -27.118 -6.518 -14.081 187 HB3 TYR 23 3HB TYR 23 -27.091 -4.885 -13.423 188 HD1 TYR 23 HD1 TYR 23 -25.565 -8.246 -13.131 189 HD2 TYR 23 HD2 TYR 23 -25.258 -4.121 -12.134 190 HE1 TYR 23 HE1 TYR 23 -23.270 -8.617 -12.329 191 HE2 TYR 23 HE2 TYR 23 -22.962 -4.480 -11.330 192 HH TYR 23 HH TYR 23 -21.718 -7.236 -10.490 193 HA PRO 24 HA PRO 24 -32.035 -5.212 -12.918 194 HB2 PRO 24 2HB PRO 24 -32.022 -2.608 -13.688 195 HB3 PRO 24 3HB PRO 24 -32.041 -3.108 -11.993 196 HG2 PRO 24 2HG PRO 24 -29.733 -2.218 -13.678 197 HG3 PRO 24 3HG PRO 24 -30.126 -1.788 -12.004 198 HD2 PRO 24 2HD PRO 24 -28.259 -3.646 -12.631 199 HD3 PRO 24 3HD PRO 24 -29.252 -3.748 -11.163 200 H TRP 25 H TRP 25 -29.337 -4.307 -14.965 201 HA TRP 25 HA TRP 25 -31.027 -4.764 -17.336 202 HB2 TRP 25 2HB TRP 25 -29.916 -3.123 -18.488 203 HB3 TRP 25 3HB TRP 25 -29.758 -2.478 -16.856 204 HD1 TRP 25 HD1 TRP 25 -27.728 -3.583 -19.788 205 HE1 TRP 25 HE1 TRP 25 -25.221 -3.463 -19.217 206 HE3 TRP 25 HE3 TRP 25 -28.079 -2.880 -14.736 207 HZ2 TRP 25 HZ2 TRP 25 -23.606 -3.116 -16.927 208 HZ3 TRP 25 HZ3 TRP 25 -26.007 -2.664 -13.428 209 HH2 TRP 25 HH2 TRP 25 -23.817 -2.781 -14.503 210 H GLU 26 H GLU 26 -28.065 -5.575 -15.681 211 HA GLU 26 HA GLU 26 -27.301 -7.399 -17.848 212 HB2 GLU 26 2HB GLU 26 -25.838 -5.835 -15.907 213 HB3 GLU 26 3HB GLU 26 -25.378 -7.529 -15.810 214 HG2 GLU 26 2HG GLU 26 -25.466 -6.894 -18.542 215 HG3 GLU 26 3HG GLU 26 -24.640 -5.557 -17.744 216 H ARG 27 H ARG 27 -28.892 -8.984 -17.459 217 HA ARG 27 HA ARG 27 -28.754 -10.381 -14.885 218 HB2 ARG 27 2HB ARG 27 -30.993 -9.831 -15.551 219 HB3 ARG 27 3HB ARG 27 -30.740 -10.510 -17.154 220 HG2 ARG 27 2HG ARG 27 -30.331 -12.365 -14.907 221 HG3 ARG 27 3HG ARG 27 -31.984 -11.798 -15.150 222 HD2 ARG 27 2HD ARG 27 -32.224 -13.245 -16.816 223 HD3 ARG 27 3HD ARG 27 -30.924 -12.438 -17.693 224 HE ARG 27 HE ARG 27 -29.502 -14.142 -17.101 225 HH11 ARG 27 1HH1 ARG 27 -32.423 -14.354 -15.219 226 HH12 ARG 27 2HH1 ARG 27 -32.041 -15.911 -14.561 227 HH21 ARG 27 1HH2 ARG 27 -28.988 -16.191 -16.243 228 HH22 ARG 27 2HH2 ARG 27 -30.086 -16.955 -15.145 229 H GLY 28 H GLY 28 -27.987 -10.721 -18.256 230 HA2 GLY 28 2HA GLY 28 -26.161 -12.761 -17.966 231 HA3 GLY 28 3HA GLY 28 -27.697 -13.564 -18.253 232 H LYS 29 H LYS 29 -26.284 -14.300 -20.135 233 HA LYS 29 HA LYS 29 -25.771 -12.466 -22.253 234 HB2 LYS 29 2HB LYS 29 -25.827 -15.471 -22.078 235 HB3 LYS 29 3HB LYS 29 -25.538 -14.640 -23.601 236 HG2 LYS 29 2HG LYS 29 -23.883 -13.962 -21.213 237 HG3 LYS 29 3HG LYS 29 -23.538 -15.425 -22.138 238 HD2 LYS 29 2HD LYS 29 -22.664 -14.269 -23.849 239 HD3 LYS 29 3HD LYS 29 -23.944 -13.054 -23.800 240 HE2 LYS 29 2HE LYS 29 -21.672 -12.158 -23.312 241 HE3 LYS 29 3HE LYS 29 -22.846 -11.877 -22.028 242 HZ1 LYS 29 3HZ LYS 29 -21.898 -13.566 -20.718 243 HZ2 LYS 29 1HZ LYS 29 -20.589 -12.671 -21.308 244 HZ3 LYS 29 2HZ LYS 29 -20.970 -14.168 -21.998 245 H ALA 30 H ALA 30 -27.910 -15.308 -22.386 246 HA ALA 30 HA ALA 30 -29.579 -13.967 -24.341 247 HB1 ALA 30 3HB ALA 30 -28.868 -16.405 -24.455 248 HB2 ALA 30 1HB ALA 30 -30.055 -16.698 -23.183 249 HB3 ALA 30 2HB ALA 30 -30.573 -16.059 -24.744
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