NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
8148 | 1lpv | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 -21.525 16.075 9.353 2 2H SER 1 2H SER 1 -22.636 16.532 8.152 3 3H SER 1 3H SER 1 -20.970 16.750 7.899 4 HA SER 1 HA SER 1 -22.460 14.181 8.011 5 1HB SER 1 2HB SER 1 -21.626 16.065 6.016 6 2HB SER 1 1HB SER 1 -20.713 14.575 5.786 7 HG SER 1 HG SER 1 -22.969 14.865 4.836 8 H ILE 2 H ILE 2 -21.117 12.279 7.982 9 HA ILE 2 HA ILE 2 -18.324 12.748 8.971 10 HB ILE 2 HB ILE 2 -20.129 10.354 9.417 11 1HG1 ILE 2 2HG1 ILE 2 -20.218 11.565 11.783 12 2HG1 ILE 2 1HG1 ILE 2 -19.954 13.006 10.801 13 1HG2 ILE 2 1HG2 ILE 2 -18.550 10.261 11.489 14 2HG2 ILE 2 2HG2 ILE 2 -17.513 11.333 10.547 15 3HG2 ILE 2 3HG2 ILE 2 -17.918 9.732 9.929 16 1HD1 ILE 2 1HD1 ILE 2 -22.015 11.098 9.822 17 2HD1 ILE 2 2HD1 ILE 2 -22.008 12.862 9.791 18 3HD1 ILE 2 3HD1 ILE 2 -22.415 12.007 11.280 19 H SER 3 H SER 3 -19.776 12.063 6.181 20 HA SER 3 HA SER 3 -17.642 10.137 5.351 21 1HB SER 3 2HB SER 3 -20.630 9.965 5.107 22 2HB SER 3 1HB SER 3 -19.628 9.233 3.856 23 HG SER 3 HG SER 3 -19.956 7.708 5.440 24 HA PRO 4 HA PRO 4 -18.171 13.856 2.574 25 1HB PRO 4 2HB PRO 4 -15.576 14.709 2.740 26 2HB PRO 4 1HB PRO 4 -16.836 15.225 3.879 27 1HG PRO 4 2HG PRO 4 -14.717 13.162 4.209 28 2HG PRO 4 1HG PRO 4 -15.348 14.330 5.380 29 1HD PRO 4 2HD PRO 4 -16.062 11.697 5.342 30 2HD PRO 4 1HD PRO 4 -17.112 12.993 5.959 31 H ARG 5 H ARG 5 -16.313 11.001 2.741 32 HA ARG 5 HA ARG 5 -15.145 11.362 0.026 33 1HB ARG 5 2HB ARG 5 -14.176 10.320 2.345 34 2HB ARG 5 1HB ARG 5 -14.791 8.855 1.577 35 1HG ARG 5 2HG ARG 5 -13.438 10.415 -0.407 36 2HG ARG 5 1HG ARG 5 -12.376 10.249 0.993 37 1HD ARG 5 2HD ARG 5 -12.016 8.339 -0.497 38 2HD ARG 5 1HD ARG 5 -12.850 7.764 0.961 39 HE ARG 5 HE ARG 5 -15.004 8.077 -0.395 40 1HH1 ARG 5 1HH2 ARG 5 -12.685 8.902 -2.539 41 2HH1 ARG 5 2HH2 ARG 5 -12.987 7.641 -3.688 42 1HH2 ARG 5 1HH1 ARG 5 -15.079 5.857 -1.573 43 2HH2 ARG 5 2HH1 ARG 5 -14.344 5.916 -3.140 44 H THR 6 H THR 6 -17.499 11.274 -0.811 45 HA THR 6 HA THR 6 -18.868 8.689 -0.691 46 HB THR 6 HB THR 6 -19.992 10.911 -0.844 47 HG1 THR 6 HG1 THR 6 -21.514 9.872 -1.818 48 1HG2 THR 6 1HG2 THR 6 -19.841 11.516 -3.557 49 2HG2 THR 6 2HG2 THR 6 -18.176 11.137 -3.116 50 3HG2 THR 6 3HG2 THR 6 -19.051 12.401 -2.251 51 HA PRO 7 HA PRO 7 -16.866 6.849 -4.148 52 1HB PRO 7 2HB PRO 7 -18.858 5.172 -4.993 53 2HB PRO 7 1HB PRO 7 -17.909 4.877 -3.523 54 1HG PRO 7 2HG PRO 7 -20.645 6.006 -3.812 55 2HG PRO 7 1HG PRO 7 -20.003 4.901 -2.587 56 1HD PRO 7 2HD PRO 7 -20.374 7.572 -2.165 57 2HD PRO 7 1HD PRO 7 -19.157 6.600 -1.310 58 HA PRO 8 HA PRO 8 -18.288 9.269 -7.568 59 1HB PRO 8 2HB PRO 8 -16.670 8.189 -9.493 60 2HB PRO 8 1HB PRO 8 -16.081 9.321 -8.260 61 1HG PRO 8 2HG PRO 8 -15.830 6.362 -8.385 62 2HG PRO 8 1HG PRO 8 -14.672 7.572 -7.812 63 1HD PRO 8 2HD PRO 8 -16.220 6.033 -6.159 64 2HD PRO 8 1HD PRO 8 -15.575 7.628 -5.716 65 H ASN 9 H ASN 9 -19.817 8.999 -9.204 66 HA ASN 9 HA ASN 9 -21.539 7.929 -10.390 67 1HB ASN 9 2HB ASN 9 -20.710 6.454 -11.990 68 2HB ASN 9 1HB ASN 9 -19.250 7.305 -11.491 69 1HD2 ASN 9 1HD2 ASN 9 -17.546 5.876 -11.177 70 2HD2 ASN 9 2HD2 ASN 9 -17.689 4.294 -10.579 71 H CYS 10 H CYS 10 -22.953 6.029 -10.479 72 HA CYS 10 HA CYS 10 -23.278 4.828 -7.807 73 1HB CYS 10 2HB CYS 10 -25.200 5.736 -9.040 74 2HB CYS 10 1HB CYS 10 -24.826 4.737 -10.409 75 H ALA 11 H ALA 11 -22.774 2.654 -7.343 76 HA ALA 11 HA ALA 11 -21.388 1.167 -9.444 77 1HB ALA 11 1HB ALA 11 -22.026 0.297 -6.625 78 2HB ALA 11 2HB ALA 11 -20.667 1.349 -7.023 79 3HB ALA 11 3HB ALA 11 -20.724 -0.296 -7.657 80 H ARG 12 H ARG 12 -24.507 1.149 -7.955 81 HA ARG 12 HA ARG 12 -25.352 -1.523 -8.465 82 1HB ARG 12 2HB ARG 12 -26.468 0.320 -7.166 83 2HB ARG 12 1HB ARG 12 -26.865 1.094 -8.689 84 1HG ARG 12 2HG ARG 12 -28.763 -0.115 -8.577 85 2HG ARG 12 1HG ARG 12 -27.752 -1.449 -9.132 86 1HD ARG 12 2HD ARG 12 -28.170 -0.776 -6.198 87 2HD ARG 12 1HD ARG 12 -29.093 -2.016 -7.070 88 HE ARG 12 HE ARG 12 -26.765 -2.984 -7.655 89 1HH1 ARG 12 1HH2 ARG 12 -25.057 -1.070 -6.247 90 2HH1 ARG 12 2HH2 ARG 12 -24.836 -1.797 -4.690 91 1HH2 ARG 12 1HH1 ARG 12 -27.525 -3.962 -5.027 92 2HH2 ARG 12 2HH1 ARG 12 -26.238 -3.432 -3.997 93 H CYS 13 H CYS 13 -25.586 1.389 -10.463 94 HA CYS 13 HA CYS 13 -26.591 -0.169 -12.728 95 1HB CYS 13 2HB CYS 13 -26.640 2.102 -13.788 96 2HB CYS 13 1HB CYS 13 -27.415 2.071 -12.222 97 H ARG 14 H ARG 14 -23.313 0.888 -11.730 98 HA ARG 14 HA ARG 14 -22.209 0.834 -14.418 99 1HB ARG 14 2HB ARG 14 -20.044 0.357 -13.194 100 2HB ARG 14 1HB ARG 14 -20.909 1.777 -12.612 101 1HG ARG 14 2HG ARG 14 -20.208 0.542 -10.682 102 2HG ARG 14 1HG ARG 14 -21.934 0.319 -10.856 103 1HD ARG 14 2HD ARG 14 -21.678 -1.915 -10.929 104 2HD ARG 14 1HD ARG 14 -20.554 -1.765 -12.292 105 HE ARG 14 HE ARG 14 -19.783 -2.006 -9.489 106 1HH1 ARG 14 1HH2 ARG 14 -18.635 -2.457 -12.515 107 2HH1 ARG 14 2HH2 ARG 14 -17.082 -1.728 -12.274 108 1HH2 ARG 14 1HH1 ARG 14 -17.916 -0.341 -9.207 109 2HH2 ARG 14 2HH1 ARG 14 -16.676 -0.528 -10.403 110 H ASN 15 H ASN 15 -23.094 -1.600 -12.125 111 HA ASN 15 HA ASN 15 -21.647 -3.844 -12.781 112 1HB ASN 15 2HB ASN 15 -24.569 -3.347 -12.232 113 2HB ASN 15 1HB ASN 15 -23.916 -4.977 -12.308 114 1HD2 ASN 15 1HD2 ASN 15 -24.756 -2.753 -10.121 115 2HD2 ASN 15 2HD2 ASN 15 -23.547 -2.937 -8.952 116 H HIS 16 H HIS 16 -24.216 -2.320 -14.560 117 HA HIS 16 HA HIS 16 -24.104 -4.363 -16.714 118 1HB HIS 16 2HB HIS 16 -25.946 -2.051 -16.046 119 2HB HIS 16 1HB HIS 16 -26.226 -3.225 -17.310 120 HD1 HIS 16 HD1 HIS 16 -27.176 -5.477 -16.680 121 HD2 HIS 16 HD2 HIS 16 -25.893 -3.247 -13.403 122 HE1 HIS 16 HE1 HIS 16 -27.884 -6.772 -14.608 123 H GLY 17 H GLY 17 -22.862 -1.253 -15.986 124 1HA GLY 17 2HA GLY 17 -21.154 -0.396 -17.596 125 2HA GLY 17 1HA GLY 17 -22.271 -0.831 -18.892 126 H LEU 18 H LEU 18 -23.292 0.648 -15.890 127 HA LEU 18 HA LEU 18 -24.271 2.992 -17.451 128 1HB LEU 18 2HB LEU 18 -25.467 1.225 -15.729 129 2HB LEU 18 1HB LEU 18 -25.078 2.559 -14.643 130 HG LEU 18 HG LEU 18 -27.316 2.853 -15.627 131 1HD1 LEU 18 1HD1 LEU 18 -27.024 5.096 -15.860 132 2HD1 LEU 18 2HD1 LEU 18 -25.791 4.906 -17.108 133 3HD1 LEU 18 3HD1 LEU 18 -25.360 4.729 -15.407 134 1HD2 LEU 18 1HD2 LEU 18 -25.832 2.123 -18.048 135 2HD2 LEU 18 2HD2 LEU 18 -26.836 3.556 -18.270 136 3HD2 LEU 18 3HD2 LEU 18 -27.565 2.045 -17.730 137 H LYS 19 H LYS 19 -23.928 5.133 -16.567 138 HA LYS 19 HA LYS 19 -22.056 5.464 -14.302 139 1HB LYS 19 2HB LYS 19 -21.056 5.222 -16.819 140 2HB LYS 19 1HB LYS 19 -21.380 6.956 -16.786 141 1HG LYS 19 2HG LYS 19 -19.087 6.438 -15.995 142 2HG LYS 19 1HG LYS 19 -20.061 7.186 -14.729 143 1HD LYS 19 2HD LYS 19 -19.729 5.401 -13.402 144 2HD LYS 19 1HD LYS 19 -20.466 4.354 -14.614 145 1HE LYS 19 2HE LYS 19 -17.885 4.979 -15.602 146 2HE LYS 19 1HE LYS 19 -17.680 4.556 -13.890 147 1HZ LYS 19 1HZ LYS 19 -17.793 2.472 -14.774 148 2HZ LYS 19 2HZ LYS 19 -18.764 2.948 -16.084 149 3HZ LYS 19 3HZ LYS 19 -19.451 2.742 -14.543 150 H ILE 20 H ILE 20 -23.849 6.503 -13.316 151 HA ILE 20 HA ILE 20 -24.952 8.917 -14.662 152 HB ILE 20 HB ILE 20 -26.897 8.339 -13.620 153 1HG1 ILE 20 2HG1 ILE 20 -25.709 8.968 -11.375 154 2HG1 ILE 20 1HG1 ILE 20 -27.233 8.130 -11.406 155 1HG2 ILE 20 1HG2 ILE 20 -25.485 5.783 -12.971 156 2HG2 ILE 20 2HG2 ILE 20 -26.091 6.218 -14.564 157 3HG2 ILE 20 3HG2 ILE 20 -27.215 6.013 -13.225 158 1HD1 ILE 20 1HD1 ILE 20 -25.664 7.055 -9.894 159 2HD1 ILE 20 2HD1 ILE 20 -24.548 6.796 -11.224 160 3HD1 ILE 20 3HD1 ILE 20 -26.113 5.984 -11.208 161 H THR 21 H THR 21 -22.542 8.182 -12.458 162 HA THR 21 HA THR 21 -21.179 9.698 -11.194 163 HB THR 21 HB THR 21 -23.365 11.755 -11.363 164 HG1 THR 21 HG1 THR 21 -22.331 12.301 -13.427 165 1HG2 THR 21 1HG2 THR 21 -21.522 13.290 -11.357 166 2HG2 THR 21 2HG2 THR 21 -20.368 11.999 -11.690 167 3HG2 THR 21 3HG2 THR 21 -21.172 12.081 -10.122 168 H LEU 22 H LEU 22 -24.189 8.524 -10.525 169 HA LEU 22 HA LEU 22 -25.413 8.068 -8.560 170 1HB LEU 22 2HB LEU 22 -23.481 6.912 -7.909 171 2HB LEU 22 1HB LEU 22 -22.541 8.391 -7.728 172 HG LEU 22 HG LEU 22 -23.755 8.997 -5.727 173 1HD1 LEU 22 1HD1 LEU 22 -25.901 7.770 -6.780 174 2HD1 LEU 22 2HD1 LEU 22 -25.746 8.051 -5.048 175 3HD1 LEU 22 3HD1 LEU 22 -25.347 6.473 -5.724 176 1HD2 LEU 22 1HD2 LEU 22 -23.237 6.027 -5.500 177 2HD2 LEU 22 2HD2 LEU 22 -23.014 7.267 -4.266 178 3HD2 LEU 22 3HD2 LEU 22 -21.926 7.198 -5.653 179 H LYS 23 H LYS 23 -24.710 11.081 -9.381 180 HA LYS 23 HA LYS 23 -25.014 12.480 -6.830 181 1HB LYS 23 2HB LYS 23 -24.443 13.039 -9.598 182 2HB LYS 23 1HB LYS 23 -25.751 14.094 -9.061 183 1HG LYS 23 2HG LYS 23 -24.443 15.102 -7.412 184 2HG LYS 23 1HG LYS 23 -23.335 13.732 -7.314 185 1HD LYS 23 2HD LYS 23 -22.192 14.348 -9.264 186 2HD LYS 23 1HD LYS 23 -23.535 15.326 -9.858 187 1HE LYS 23 2HE LYS 23 -21.627 16.718 -8.994 188 2HE LYS 23 1HE LYS 23 -23.130 16.994 -8.092 189 1HZ LYS 23 1HZ LYS 23 -22.368 15.898 -6.288 190 2HZ LYS 23 2HZ LYS 23 -20.845 16.324 -6.911 191 3HZ LYS 23 3HZ LYS 23 -21.480 14.774 -7.197 192 H GLY 24 H GLY 24 -26.998 12.369 -5.762 193 1HA GLY 24 2HA GLY 24 -29.338 12.120 -5.485 194 2HA GLY 24 1HA GLY 24 -29.438 13.289 -6.810 195 H HIS 25 H HIS 25 -28.558 9.859 -6.388 196 HA HIS 25 HA HIS 25 -30.123 9.244 -8.873 197 1HB HIS 25 2HB HIS 25 -27.722 9.292 -9.210 198 2HB HIS 25 1HB HIS 25 -27.468 8.260 -7.809 199 HD1 HIS 25 HD1 HIS 25 -29.466 8.023 -11.070 200 HD2 HIS 25 HD2 HIS 25 -27.012 5.698 -8.641 201 HE1 HIS 25 HE1 HIS 25 -29.004 5.865 -12.313 202 H LYS 26 H LYS 26 -28.488 6.668 -7.280 203 HA LYS 26 HA LYS 26 -29.401 4.682 -6.383 204 1HB LYS 26 2HB LYS 26 -30.049 7.072 -4.755 205 2HB LYS 26 1HB LYS 26 -30.968 5.621 -4.346 206 1HG LYS 26 2HG LYS 26 -28.805 4.354 -4.228 207 2HG LYS 26 1HG LYS 26 -27.949 5.879 -4.464 208 1HD LYS 26 2HD LYS 26 -28.256 6.491 -2.312 209 2HD LYS 26 1HD LYS 26 -29.966 6.060 -2.359 210 1HE LYS 26 2HE LYS 26 -29.354 3.662 -2.068 211 2HE LYS 26 1HE LYS 26 -27.650 4.138 -1.934 212 1HZ LYS 26 1HZ LYS 26 -28.122 5.476 -0.056 213 2HZ LYS 26 2HZ LYS 26 -28.870 3.978 0.234 214 3HZ LYS 26 3HZ LYS 26 -29.799 5.312 -0.261 215 H ARG 27 H ARG 27 -32.286 6.453 -5.451 216 HA ARG 27 HA ARG 27 -34.165 4.626 -6.422 217 1HB ARG 27 2HB ARG 27 -34.852 6.392 -4.982 218 2HB ARG 27 1HB ARG 27 -34.174 7.626 -6.043 219 1HG ARG 27 2HG ARG 27 -35.864 6.912 -7.792 220 2HG ARG 27 1HG ARG 27 -36.620 5.916 -6.549 221 1HD ARG 27 2HD ARG 27 -37.264 7.796 -5.265 222 2HD ARG 27 1HD ARG 27 -36.108 8.861 -6.087 223 HE ARG 27 HE ARG 27 -37.555 8.892 -8.020 224 1HH1 ARG 27 1HH2 ARG 27 -39.576 9.200 -5.766 225 2HH1 ARG 27 2HH2 ARG 27 -40.782 8.049 -6.234 226 1HH2 ARG 27 1HH1 ARG 27 -38.726 6.413 -8.497 227 2HH2 ARG 27 2HH1 ARG 27 -40.302 6.471 -7.779 228 H TYR 28 H TYR 28 -32.292 6.989 -8.190 229 HA TYR 28 HA TYR 28 -33.935 6.816 -10.633 230 1HB TYR 28 2HB TYR 28 -31.298 8.115 -9.878 231 2HB TYR 28 1HB TYR 28 -32.050 8.289 -11.466 232 HD1 TYR 28 HD1 TYR 28 -31.954 9.515 -8.097 233 HD2 TYR 28 HD2 TYR 28 -34.481 9.155 -11.553 234 HE1 TYR 28 HE1 TYR 28 -33.411 11.320 -7.219 235 HE2 TYR 28 HE2 TYR 28 -35.938 10.961 -10.675 236 HH TYR 28 HH TYR 28 -36.413 11.865 -8.135 237 H CYS 29 H CYS 29 -31.561 4.924 -9.166 238 HA CYS 29 HA CYS 29 -29.957 4.133 -11.422 239 1HB CYS 29 2HB CYS 29 -29.532 3.861 -8.914 240 2HB CYS 29 1HB CYS 29 -30.667 2.518 -8.966 241 H LYS 30 H LYS 30 -30.872 3.092 -13.217 242 HA LYS 30 HA LYS 30 -33.341 1.687 -13.253 243 1HB LYS 30 2HB LYS 30 -31.634 2.408 -15.127 244 2HB LYS 30 1HB LYS 30 -30.938 0.811 -14.851 245 1HG LYS 30 2HG LYS 30 -33.558 0.144 -15.010 246 2HG LYS 30 1HG LYS 30 -33.541 1.553 -16.071 247 1HD LYS 30 2HD LYS 30 -31.241 0.124 -16.774 248 2HD LYS 30 1HD LYS 30 -32.478 -1.112 -16.546 249 1HE LYS 30 2HE LYS 30 -33.986 0.515 -17.963 250 2HE LYS 30 1HE LYS 30 -32.429 1.166 -18.510 251 1HZ LYS 30 1HZ LYS 30 -31.741 -1.202 -18.880 252 2HZ LYS 30 2HZ LYS 30 -32.940 -0.633 -19.941 253 3HZ LYS 30 3HZ LYS 30 -33.360 -1.648 -18.645 254 H PHE 31 H PHE 31 -30.242 0.894 -11.979 255 HA PHE 31 HA PHE 31 -30.890 -1.980 -11.552 256 1HB PHE 31 2HB PHE 31 -28.385 -0.308 -11.091 257 2HB PHE 31 1HB PHE 31 -28.434 -2.075 -11.129 258 HD1 PHE 31 HD1 PHE 31 -28.708 1.018 -13.124 259 HD2 PHE 31 HD2 PHE 31 -28.725 -3.275 -13.228 260 HE1 PHE 31 HE1 PHE 31 -28.486 1.080 -15.586 261 HE2 PHE 31 HE2 PHE 31 -28.514 -3.215 -15.694 262 HZ PHE 31 HZ PHE 31 -28.388 -1.038 -16.879 263 H ARG 32 H ARG 32 -31.660 0.790 -10.055 264 HA ARG 32 HA ARG 32 -30.713 0.910 -7.468 265 1HB ARG 32 2HB ARG 32 -32.745 2.046 -6.974 266 2HB ARG 32 1HB ARG 32 -32.494 2.301 -8.696 267 1HG ARG 32 2HG ARG 32 -34.143 -0.034 -7.742 268 2HG ARG 32 1HG ARG 32 -34.857 1.568 -7.859 269 1HD ARG 32 2HD ARG 32 -34.262 1.697 -10.234 270 2HD ARG 32 1HD ARG 32 -33.473 0.110 -10.138 271 HE ARG 32 HE ARG 32 -35.727 -0.819 -9.502 272 1HH1 ARG 32 1HH2 ARG 32 -36.271 2.426 -9.644 273 2HH1 ARG 32 2HH2 ARG 32 -37.535 2.373 -10.828 274 1HH2 ARG 32 1HH1 ARG 32 -37.018 -0.962 -11.622 275 2HH2 ARG 32 2HH1 ARG 32 -37.954 0.457 -11.949 276 H TYR 33 H TYR 33 -32.819 -1.500 -8.845 277 HA TYR 33 HA TYR 33 -32.778 -2.954 -6.218 278 1HB TYR 33 2HB TYR 33 -35.026 -2.646 -8.230 279 2HB TYR 33 1HB TYR 33 -35.094 -3.704 -6.821 280 HD1 TYR 33 HD1 TYR 33 -36.815 -1.156 -7.572 281 HD2 TYR 33 HD2 TYR 33 -33.472 -1.838 -4.960 282 HE1 TYR 33 HE1 TYR 33 -37.514 0.767 -6.170 283 HE2 TYR 33 HE2 TYR 33 -34.170 0.083 -3.564 284 HH TYR 33 HH TYR 33 -37.196 1.809 -4.193 285 H CYS 34 H CYS 34 -31.562 -3.041 -9.237 286 HA CYS 34 HA CYS 34 -32.167 -5.469 -10.460 287 1HB CYS 34 2HB CYS 34 -30.461 -3.751 -11.174 288 2HB CYS 34 1HB CYS 34 -29.402 -4.358 -9.901 289 H THR 35 H THR 35 -30.810 -7.550 -10.284 290 HA THR 35 HA THR 35 -29.937 -8.115 -7.486 291 HB THR 35 HB THR 35 -31.329 -10.182 -7.579 292 HG1 THR 35 HG1 THR 35 -31.995 -9.047 -10.074 293 1HG2 THR 35 1HG2 THR 35 -33.321 -8.105 -8.226 294 2HG2 THR 35 2HG2 THR 35 -32.124 -7.627 -7.022 295 3HG2 THR 35 3HG2 THR 35 -33.121 -9.056 -6.754 296 H CYS 36 H CYS 36 -29.150 -8.222 -10.724 297 HA CYS 36 HA CYS 36 -28.135 -10.740 -11.321 298 1HB CYS 36 2HB CYS 36 -26.621 -9.574 -12.769 299 2HB CYS 36 1HB CYS 36 -28.069 -8.574 -12.655 300 H GLU 37 H GLU 37 -25.680 -11.382 -11.146 301 HA GLU 37 HA GLU 37 -24.988 -11.441 -8.313 302 1HB GLU 37 2HB GLU 37 -24.744 -13.240 -10.126 303 2HB GLU 37 1HB GLU 37 -23.326 -12.345 -10.671 304 1HG GLU 37 2HG GLU 37 -23.198 -12.645 -7.816 305 2HG GLU 37 1HG GLU 37 -23.474 -14.226 -8.550 306 H LYS 38 H LYS 38 -24.468 -9.054 -10.570 307 HA LYS 38 HA LYS 38 -21.743 -8.336 -9.566 308 1HB LYS 38 2HB LYS 38 -23.380 -7.912 -11.996 309 2HB LYS 38 1HB LYS 38 -22.471 -6.492 -11.477 310 1HG LYS 38 2HG LYS 38 -20.786 -7.466 -12.672 311 2HG LYS 38 1HG LYS 38 -20.566 -8.406 -11.196 312 1HD LYS 38 2HD LYS 38 -22.603 -9.750 -12.537 313 2HD LYS 38 1HD LYS 38 -21.492 -9.280 -13.824 314 1HE LYS 38 2HE LYS 38 -19.864 -10.179 -11.686 315 2HE LYS 38 1HE LYS 38 -21.166 -11.372 -11.864 316 1HZ LYS 38 1HZ LYS 38 -20.775 -11.366 -14.262 317 2HZ LYS 38 2HZ LYS 38 -19.384 -11.850 -13.415 318 3HZ LYS 38 3HZ LYS 38 -19.486 -10.282 -14.060 319 H CYS 39 H CYS 39 -25.078 -7.575 -9.342 320 HA CYS 39 HA CYS 39 -24.691 -4.870 -8.236 321 1HB CYS 39 2HB CYS 39 -26.856 -6.683 -9.164 322 2HB CYS 39 1HB CYS 39 -27.295 -5.622 -7.840 323 H ARG 40 H ARG 40 -25.436 -8.192 -7.293 324 HA ARG 40 HA ARG 40 -25.902 -7.649 -4.477 325 1HB ARG 40 2HB ARG 40 -25.142 -10.146 -6.028 326 2HB ARG 40 1HB ARG 40 -25.724 -10.139 -4.364 327 1HG ARG 40 2HG ARG 40 -27.794 -8.928 -5.234 328 2HG ARG 40 1HG ARG 40 -27.231 -9.324 -6.857 329 1HD ARG 40 2HD ARG 40 -27.893 -11.302 -4.644 330 2HD ARG 40 1HD ARG 40 -28.777 -11.071 -6.164 331 HE ARG 40 HE ARG 40 -25.892 -11.800 -6.285 332 1HH1 ARG 40 1HH2 ARG 40 -28.660 -11.766 -8.071 333 2HH1 ARG 40 2HH2 ARG 40 -28.610 -13.427 -8.560 334 1HH2 ARG 40 1HH1 ARG 40 -26.055 -14.269 -6.370 335 2HH2 ARG 40 2HH1 ARG 40 -27.133 -14.844 -7.597 336 H LEU 41 H LEU 41 -23.210 -8.757 -6.473 337 HA LEU 41 HA LEU 41 -21.300 -9.193 -4.395 338 1HB LEU 41 2HB LEU 41 -20.498 -10.048 -6.356 339 2HB LEU 41 1HB LEU 41 -21.445 -8.921 -7.321 340 HG LEU 41 HG LEU 41 -19.785 -7.170 -6.987 341 1HD1 LEU 41 1HD1 LEU 41 -19.149 -8.551 -4.678 342 2HD1 LEU 41 2HD1 LEU 41 -18.203 -7.226 -5.358 343 3HD1 LEU 41 3HD1 LEU 41 -17.771 -8.897 -5.722 344 1HD2 LEU 41 1HD2 LEU 41 -19.452 -9.409 -8.531 345 2HD2 LEU 41 2HD2 LEU 41 -17.946 -9.393 -7.612 346 3HD2 LEU 41 3HD2 LEU 41 -18.396 -7.997 -8.591 347 H THR 42 H THR 42 -22.424 -6.331 -6.068 348 HA THR 42 HA THR 42 -20.354 -4.523 -5.169 349 HB THR 42 HB THR 42 -23.208 -4.216 -6.119 350 HG1 THR 42 HG1 THR 42 -20.670 -4.252 -7.253 351 1HG2 THR 42 1HG2 THR 42 -23.153 -2.061 -5.486 352 2HG2 THR 42 2HG2 THR 42 -21.710 -1.821 -6.471 353 3HG2 THR 42 3HG2 THR 42 -21.555 -2.299 -4.781 354 H ALA 43 H ALA 43 -23.770 -4.618 -4.208 355 HA ALA 43 HA ALA 43 -23.657 -3.129 -1.855 356 1HB ALA 43 1HB ALA 43 -25.298 -5.500 -1.526 357 2HB ALA 43 2HB ALA 43 -25.418 -4.900 -3.179 358 3HB ALA 43 3HB ALA 43 -25.811 -3.840 -1.826 359 H ASP 44 H ASP 44 -22.529 -6.377 -2.483 360 HA ASP 44 HA ASP 44 -22.129 -7.185 0.274 361 1HB ASP 44 2HB ASP 44 -22.369 -8.594 -1.854 362 2HB ASP 44 1HB ASP 44 -20.709 -8.134 -2.230 363 H ARG 45 H ARG 45 -20.131 -5.687 -2.245 364 HA ARG 45 HA ARG 45 -17.596 -5.758 -0.980 365 1HB ARG 45 2HB ARG 45 -18.395 -5.016 -3.341 366 2HB ARG 45 1HB ARG 45 -18.664 -3.439 -2.597 367 1HG ARG 45 2HG ARG 45 -16.303 -3.408 -1.840 368 2HG ARG 45 1HG ARG 45 -16.039 -4.960 -2.637 369 1HD ARG 45 2HD ARG 45 -17.270 -2.915 -4.379 370 2HD ARG 45 1HD ARG 45 -15.617 -2.538 -3.854 371 HE ARG 45 HE ARG 45 -16.283 -4.586 -5.728 372 1HH1 ARG 45 1HH2 ARG 45 -13.774 -3.362 -3.923 373 2HH1 ARG 45 2HH2 ARG 45 -12.860 -4.832 -3.842 374 1HH2 ARG 45 1HH1 ARG 45 -15.391 -6.789 -5.179 375 2HH2 ARG 45 2HH1 ARG 45 -13.776 -6.771 -4.555 376 H GLN 46 H GLN 46 -20.255 -3.403 -0.672 377 HA GLN 46 HA GLN 46 -18.800 -1.622 1.103 378 1HB GLN 46 2HB GLN 46 -21.756 -1.988 0.519 379 2HB GLN 46 1HB GLN 46 -21.038 -0.578 1.300 380 1HG GLN 46 2HG GLN 46 -19.497 -0.651 -0.897 381 2HG GLN 46 1HG GLN 46 -20.944 -1.416 -1.559 382 1HE2 GLN 46 1HE2 GLN 46 -21.464 0.486 -2.870 383 2HE2 GLN 46 2HE2 GLN 46 -22.049 1.911 -2.158 384 H ARG 47 H ARG 47 -21.482 -3.952 1.652 385 HA ARG 47 HA ARG 47 -21.512 -3.652 4.508 386 1HB ARG 47 2HB ARG 47 -23.098 -4.778 2.641 387 2HB ARG 47 1HB ARG 47 -22.283 -6.229 3.225 388 1HG ARG 47 2HG ARG 47 -22.894 -5.583 5.561 389 2HG ARG 47 1HG ARG 47 -23.807 -4.221 4.910 390 1HD ARG 47 2HD ARG 47 -25.237 -5.789 3.628 391 2HD ARG 47 1HD ARG 47 -24.334 -7.156 4.310 392 HE ARG 47 HE ARG 47 -25.040 -6.228 6.591 393 1HH1 ARG 47 1HH2 ARG 47 -26.525 -4.499 4.125 394 2HH1 ARG 47 2HH2 ARG 47 -28.140 -4.691 4.721 395 1HH2 ARG 47 1HH1 ARG 47 -27.239 -6.949 7.195 396 2HH2 ARG 47 2HH1 ARG 47 -28.544 -6.074 6.463 397 H VAL 48 H VAL 48 -20.547 -4.964 6.124 398 HA VAL 48 HA VAL 48 -18.467 -6.914 5.202 399 HB VAL 48 HB VAL 48 -17.474 -4.707 5.712 400 1HG1 VAL 48 1HG1 VAL 48 -17.925 -4.759 8.579 401 2HG1 VAL 48 2HG1 VAL 48 -19.455 -4.665 7.706 402 3HG1 VAL 48 3HG1 VAL 48 -18.207 -3.448 7.432 403 1HG2 VAL 48 1HG2 VAL 48 -15.735 -5.520 7.070 404 2HG2 VAL 48 2HG2 VAL 48 -16.436 -7.001 6.418 405 3HG2 VAL 48 3HG2 VAL 48 -16.832 -6.487 8.058 406 H MET 49 H MET 49 -19.019 -8.858 6.107 407 HA MET 49 HA MET 49 -20.316 -8.849 8.809 408 1HB MET 49 2HB MET 49 -21.395 -9.739 6.571 409 2HB MET 49 1HB MET 49 -20.369 -11.143 6.870 410 1HG MET 49 2HG MET 49 -21.625 -10.427 9.335 411 2HG MET 49 1HG MET 49 -22.870 -10.504 8.089 412 1HE MET 49 1HE MET 49 -23.458 -13.545 6.929 413 2HE MET 49 2HE MET 49 -23.967 -11.988 7.578 414 3HE MET 49 3HE MET 49 -24.066 -13.430 8.586 415 H ALA 50 H ALA 50 -17.547 -9.801 7.010 416 HA ALA 50 HA ALA 50 -16.468 -11.209 9.404 417 1HB ALA 50 1HB ALA 50 -17.599 -12.622 7.405 418 2HB ALA 50 2HB ALA 50 -16.195 -13.214 8.294 419 3HB ALA 50 3HB ALA 50 -15.981 -12.432 6.728 420 H LEU 51 H LEU 51 -14.283 -10.763 9.681 421 HA LEU 51 HA LEU 51 -12.942 -9.210 7.493 422 1HB LEU 51 2HB LEU 51 -12.740 -9.126 10.518 423 2HB LEU 51 1HB LEU 51 -11.670 -8.221 9.445 424 HG LEU 51 HG LEU 51 -14.456 -7.859 8.700 425 1HD1 LEU 51 1HD1 LEU 51 -13.635 -6.962 11.480 426 2HD1 LEU 51 2HD1 LEU 51 -14.797 -8.244 11.136 427 3HD1 LEU 51 3HD1 LEU 51 -15.154 -6.581 10.670 428 1HD2 LEU 51 1HD2 LEU 51 -12.296 -5.958 9.666 429 2HD2 LEU 51 2HD2 LEU 51 -13.783 -5.488 8.843 430 3HD2 LEU 51 3HD2 LEU 51 -12.564 -6.434 7.989 431 H GLN 52 H GLN 52 -10.737 -9.715 7.057 432 HA GLN 52 HA GLN 52 -9.789 -12.312 8.226 433 1HB GLN 52 2HB GLN 52 -10.467 -12.382 5.849 434 2HB GLN 52 1HB GLN 52 -9.346 -11.067 5.491 435 1HG GLN 52 2HG GLN 52 -7.564 -12.460 5.450 436 2HG GLN 52 1HG GLN 52 -8.071 -13.278 6.928 437 1HE2 GLN 52 1HE2 GLN 52 -9.377 -15.198 6.726 438 2HE2 GLN 52 2HE2 GLN 52 -9.667 -15.944 5.229 Start of MODEL 2 1 1H SER 1 1H SER 1 -30.609 20.374 -13.272 2 2H SER 1 2H SER 1 -32.284 20.538 -13.504 3 3H SER 1 3H SER 1 -31.533 21.273 -12.169 4 HA SER 1 HA SER 1 -31.272 22.027 -15.031 5 1HB SER 1 2HB SER 1 -33.202 22.980 -14.095 6 2HB SER 1 1HB SER 1 -32.476 23.109 -12.495 7 HG SER 1 HG SER 1 -31.656 24.971 -13.035 8 H ILE 2 H ILE 2 -29.982 22.388 -11.733 9 HA ILE 2 HA ILE 2 -27.489 23.533 -12.933 10 HB ILE 2 HB ILE 2 -28.993 25.283 -11.975 11 1HG1 ILE 2 2HG1 ILE 2 -26.504 24.808 -10.304 12 2HG1 ILE 2 1HG1 ILE 2 -26.499 25.509 -11.922 13 1HG2 ILE 2 1HG2 ILE 2 -29.695 23.463 -10.131 14 2HG2 ILE 2 2HG2 ILE 2 -29.817 25.197 -9.829 15 3HG2 ILE 2 3HG2 ILE 2 -28.431 24.292 -9.221 16 1HD1 ILE 2 1HD1 ILE 2 -26.755 26.938 -9.565 17 2HD1 ILE 2 2HD1 ILE 2 -28.422 26.800 -10.125 18 3HD1 ILE 2 3HD1 ILE 2 -27.198 27.526 -11.167 19 H SER 3 H SER 3 -26.377 21.524 -12.627 20 HA SER 3 HA SER 3 -25.629 20.964 -9.808 21 1HB SER 3 2HB SER 3 -26.154 18.522 -10.239 22 2HB SER 3 1HB SER 3 -27.569 19.566 -10.169 23 HG SER 3 HG SER 3 -27.039 17.967 -12.073 24 HA PRO 4 HA PRO 4 -21.820 20.481 -12.061 25 1HB PRO 4 2HB PRO 4 -20.263 19.837 -9.903 26 2HB PRO 4 1HB PRO 4 -20.785 21.498 -10.256 27 1HG PRO 4 2HG PRO 4 -21.876 19.548 -8.290 28 2HG PRO 4 1HG PRO 4 -21.651 21.297 -8.139 29 1HD PRO 4 2HD PRO 4 -24.062 20.127 -8.653 30 2HD PRO 4 1HD PRO 4 -23.639 21.774 -9.170 31 H ARG 5 H ARG 5 -19.945 18.613 -11.727 32 HA ARG 5 HA ARG 5 -21.415 15.998 -11.605 33 1HB ARG 5 2HB ARG 5 -20.739 16.884 -13.880 34 2HB ARG 5 1HB ARG 5 -19.059 16.756 -13.357 35 1HG ARG 5 2HG ARG 5 -19.058 14.571 -13.887 36 2HG ARG 5 1HG ARG 5 -20.363 14.292 -12.733 37 1HD ARG 5 2HD ARG 5 -21.791 13.918 -14.449 38 2HD ARG 5 1HD ARG 5 -21.472 15.550 -15.068 39 HE ARG 5 HE ARG 5 -19.258 13.803 -15.664 40 1HH1 ARG 5 1HH2 ARG 5 -22.142 12.650 -16.411 41 2HH1 ARG 5 2HH2 ARG 5 -22.122 12.988 -18.110 42 1HH2 ARG 5 1HH1 ARG 5 -19.366 15.087 -17.929 43 2HH2 ARG 5 2HH1 ARG 5 -20.550 14.370 -18.969 44 H THR 6 H THR 6 -20.343 14.307 -10.531 45 HA THR 6 HA THR 6 -17.817 15.066 -9.106 46 HB THR 6 HB THR 6 -18.603 13.573 -7.365 47 HG1 THR 6 HG1 THR 6 -20.520 12.383 -7.697 48 1HG2 THR 6 1HG2 THR 6 -21.252 14.640 -7.813 49 2HG2 THR 6 2HG2 THR 6 -20.031 15.839 -8.237 50 3HG2 THR 6 3HG2 THR 6 -20.047 15.129 -6.623 51 HA PRO 7 HA PRO 7 -15.733 11.811 -11.149 52 1HB PRO 7 2HB PRO 7 -14.023 10.910 -9.213 53 2HB PRO 7 1HB PRO 7 -13.824 12.450 -10.070 54 1HG PRO 7 2HG PRO 7 -14.832 11.926 -7.338 55 2HG PRO 7 1HG PRO 7 -13.919 13.302 -7.963 56 1HD PRO 7 2HD PRO 7 -16.644 13.301 -7.473 57 2HD PRO 7 1HD PRO 7 -15.797 14.440 -8.541 58 HA PRO 8 HA PRO 8 -16.897 8.020 -8.431 59 1HB PRO 8 2HB PRO 8 -19.006 8.347 -6.721 60 2HB PRO 8 1HB PRO 8 -17.315 8.570 -6.234 61 1HG PRO 8 2HG PRO 8 -19.378 10.598 -6.889 62 2HG PRO 8 1HG PRO 8 -18.089 10.645 -5.679 63 1HD PRO 8 2HD PRO 8 -17.994 11.931 -8.090 64 2HD PRO 8 1HD PRO 8 -16.565 11.457 -7.157 65 H ASN 9 H ASN 9 -19.274 6.829 -8.150 66 HA ASN 9 HA ASN 9 -21.397 7.736 -9.936 67 1HB ASN 9 2HB ASN 9 -20.916 6.246 -11.775 68 2HB ASN 9 1HB ASN 9 -19.435 7.153 -11.456 69 1HD2 ASN 9 1HD2 ASN 9 -20.526 4.048 -12.034 70 2HD2 ASN 9 2HD2 ASN 9 -19.285 3.176 -11.272 71 H CYS 10 H CYS 10 -23.056 6.017 -10.130 72 HA CYS 10 HA CYS 10 -23.360 4.530 -7.659 73 1HB CYS 10 2HB CYS 10 -25.236 5.523 -8.904 74 2HB CYS 10 1HB CYS 10 -24.844 4.563 -10.294 75 H ALA 11 H ALA 11 -22.692 2.411 -7.285 76 HA ALA 11 HA ALA 11 -21.361 0.997 -9.459 77 1HB ALA 11 1HB ALA 11 -21.958 0.033 -6.662 78 2HB ALA 11 2HB ALA 11 -20.603 1.094 -7.048 79 3HB ALA 11 3HB ALA 11 -20.674 -0.530 -7.732 80 H ARG 12 H ARG 12 -24.465 0.961 -7.976 81 HA ARG 12 HA ARG 12 -25.346 -1.695 -8.519 82 1HB ARG 12 2HB ARG 12 -26.427 0.177 -7.206 83 2HB ARG 12 1HB ARG 12 -26.836 0.936 -8.738 84 1HG ARG 12 2HG ARG 12 -28.595 -0.393 -9.002 85 2HG ARG 12 1HG ARG 12 -27.607 -1.835 -8.779 86 1HD ARG 12 2HD ARG 12 -27.732 -1.012 -6.209 87 2HD ARG 12 1HD ARG 12 -29.279 -0.369 -6.793 88 HE ARG 12 HE ARG 12 -29.078 -2.974 -7.836 89 1HH1 ARG 12 1HH2 ARG 12 -29.277 -1.348 -4.797 90 2HH1 ARG 12 2HH2 ARG 12 -29.966 -2.704 -3.969 91 1HH2 ARG 12 1HH1 ARG 12 -29.926 -4.769 -6.751 92 2HH2 ARG 12 2HH1 ARG 12 -30.338 -4.635 -5.074 93 H CYS 13 H CYS 13 -25.562 1.241 -10.472 94 HA CYS 13 HA CYS 13 -26.564 -0.276 -12.763 95 1HB CYS 13 2HB CYS 13 -26.625 2.022 -13.773 96 2HB CYS 13 1HB CYS 13 -27.408 1.939 -12.214 97 H ARG 14 H ARG 14 -23.286 0.726 -11.737 98 HA ARG 14 HA ARG 14 -22.177 0.745 -14.430 99 1HB ARG 14 2HB ARG 14 -20.017 0.232 -13.214 100 2HB ARG 14 1HB ARG 14 -20.874 1.643 -12.605 101 1HG ARG 14 2HG ARG 14 -20.174 0.355 -10.701 102 2HG ARG 14 1HG ARG 14 -21.902 0.170 -10.874 103 1HD ARG 14 2HD ARG 14 -21.715 -2.068 -11.047 104 2HD ARG 14 1HD ARG 14 -20.518 -1.908 -12.345 105 HE ARG 14 HE ARG 14 -19.889 -2.371 -9.570 106 1HH1 ARG 14 1HH2 ARG 14 -18.853 -1.079 -12.579 107 2HH1 ARG 14 2HH2 ARG 14 -17.224 -0.803 -12.058 108 1HH2 ARG 14 1HH1 ARG 14 -17.811 -1.837 -8.801 109 2HH2 ARG 14 2HH1 ARG 14 -16.635 -1.231 -9.918 110 H ASN 15 H ASN 15 -23.125 -1.739 -12.230 111 HA ASN 15 HA ASN 15 -21.663 -3.977 -12.921 112 1HB ASN 15 2HB ASN 15 -24.579 -3.471 -12.354 113 2HB ASN 15 1HB ASN 15 -23.949 -5.107 -12.492 114 1HD2 ASN 15 1HD2 ASN 15 -24.681 -2.832 -10.270 115 2HD2 ASN 15 2HD2 ASN 15 -23.510 -3.136 -9.087 116 H HIS 16 H HIS 16 -24.234 -2.411 -14.668 117 HA HIS 16 HA HIS 16 -24.116 -4.407 -16.863 118 1HB HIS 16 2HB HIS 16 -25.975 -2.121 -16.156 119 2HB HIS 16 1HB HIS 16 -26.254 -3.302 -17.416 120 HD1 HIS 16 HD1 HIS 16 -27.151 -5.581 -16.766 121 HD2 HIS 16 HD2 HIS 16 -25.904 -3.297 -13.513 122 HE1 HIS 16 HE1 HIS 16 -27.836 -6.868 -14.679 123 H GLY 17 H GLY 17 -22.878 -1.314 -16.067 124 1HA GLY 17 2HA GLY 17 -21.188 -0.414 -17.673 125 2HA GLY 17 1HA GLY 17 -22.317 -0.817 -18.969 126 H LEU 18 H LEU 18 -23.260 0.610 -15.906 127 HA LEU 18 HA LEU 18 -24.257 2.990 -17.407 128 1HB LEU 18 2HB LEU 18 -25.461 1.190 -15.729 129 2HB LEU 18 1HB LEU 18 -25.055 2.488 -14.607 130 HG LEU 18 HG LEU 18 -27.297 2.817 -15.595 131 1HD1 LEU 18 1HD1 LEU 18 -25.788 4.939 -16.969 132 2HD1 LEU 18 2HD1 LEU 18 -25.303 4.662 -15.295 133 3HD1 LEU 18 3HD1 LEU 18 -26.979 5.061 -15.672 134 1HD2 LEU 18 1HD2 LEU 18 -27.620 2.281 -17.761 135 2HD2 LEU 18 2HD2 LEU 18 -25.885 2.045 -17.984 136 3HD2 LEU 18 3HD2 LEU 18 -26.596 3.641 -18.222 137 H LYS 19 H LYS 19 -23.899 5.109 -16.464 138 HA LYS 19 HA LYS 19 -21.983 5.363 -14.222 139 1HB LYS 19 2HB LYS 19 -21.535 6.230 -17.093 140 2HB LYS 19 1HB LYS 19 -20.597 6.883 -15.749 141 1HG LYS 19 2HG LYS 19 -20.808 3.955 -16.511 142 2HG LYS 19 1HG LYS 19 -19.407 4.995 -16.773 143 1HD LYS 19 2HD LYS 19 -19.988 5.330 -14.068 144 2HD LYS 19 1HD LYS 19 -20.246 3.606 -14.348 145 1HE LYS 19 2HE LYS 19 -17.763 5.037 -15.335 146 2HE LYS 19 1HE LYS 19 -17.848 4.260 -13.742 147 1HZ LYS 19 1HZ LYS 19 -17.844 3.053 -16.386 148 2HZ LYS 19 2HZ LYS 19 -18.946 2.383 -15.281 149 3HZ LYS 19 3HZ LYS 19 -17.289 2.429 -14.911 150 H ILE 20 H ILE 20 -23.751 6.387 -13.167 151 HA ILE 20 HA ILE 20 -24.835 8.868 -14.407 152 HB ILE 20 HB ILE 20 -26.795 8.233 -13.447 153 1HG1 ILE 20 2HG1 ILE 20 -25.635 8.818 -11.153 154 2HG1 ILE 20 1HG1 ILE 20 -27.183 8.023 -11.242 155 1HG2 ILE 20 1HG2 ILE 20 -27.102 5.895 -13.086 156 2HG2 ILE 20 2HG2 ILE 20 -25.379 5.676 -12.792 157 3HG2 ILE 20 3HG2 ILE 20 -25.947 6.128 -14.392 158 1HD1 ILE 20 1HD1 ILE 20 -24.548 6.606 -11.037 159 2HD1 ILE 20 2HD1 ILE 20 -26.140 5.851 -11.043 160 3HD1 ILE 20 3HD1 ILE 20 -25.660 6.890 -9.712 161 H THR 21 H THR 21 -22.470 7.989 -12.168 162 HA THR 21 HA THR 21 -21.124 9.426 -10.798 163 HB THR 21 HB THR 21 -23.246 11.538 -11.049 164 HG1 THR 21 HG1 THR 21 -21.710 10.401 -13.046 165 1HG2 THR 21 1HG2 THR 21 -20.549 11.359 -10.099 166 2HG2 THR 21 2HG2 THR 21 -21.628 12.755 -10.080 167 3HG2 THR 21 3HG2 THR 21 -20.590 12.460 -11.476 168 H LEU 22 H LEU 22 -24.112 8.254 -10.248 169 HA LEU 22 HA LEU 22 -25.497 7.896 -8.352 170 1HB LEU 22 2HB LEU 22 -23.488 6.668 -7.776 171 2HB LEU 22 1HB LEU 22 -22.718 8.135 -7.176 172 HG LEU 22 HG LEU 22 -25.308 7.751 -5.932 173 1HD1 LEU 22 1HD1 LEU 22 -24.984 5.695 -4.802 174 2HD1 LEU 22 2HD1 LEU 22 -23.296 5.590 -5.302 175 3HD1 LEU 22 3HD1 LEU 22 -24.582 5.336 -6.482 176 1HD2 LEU 22 1HD2 LEU 22 -22.748 8.760 -5.338 177 2HD2 LEU 22 2HD2 LEU 22 -22.996 7.425 -4.213 178 3HD2 LEU 22 3HD2 LEU 22 -24.154 8.754 -4.274 179 H LYS 23 H LYS 23 -24.934 10.807 -9.146 180 HA LYS 23 HA LYS 23 -24.913 12.259 -6.597 181 1HB LYS 23 2HB LYS 23 -24.222 12.876 -9.116 182 2HB LYS 23 1HB LYS 23 -25.895 13.429 -9.172 183 1HG LYS 23 2HG LYS 23 -23.933 14.255 -7.017 184 2HG LYS 23 1HG LYS 23 -24.241 15.203 -8.472 185 1HD LYS 23 2HD LYS 23 -26.732 15.068 -7.810 186 2HD LYS 23 1HD LYS 23 -26.150 14.549 -6.228 187 1HE LYS 23 2HE LYS 23 -25.014 17.036 -7.508 188 2HE LYS 23 1HE LYS 23 -26.537 17.103 -6.599 189 1HZ LYS 23 1HZ LYS 23 -24.280 17.340 -5.348 190 2HZ LYS 23 2HZ LYS 23 -24.249 15.646 -5.469 191 3HZ LYS 23 3HZ LYS 23 -25.532 16.420 -4.668 192 H GLY 24 H GLY 24 -26.760 11.917 -5.307 193 1HA GLY 24 2HA GLY 24 -29.054 11.641 -4.780 194 2HA GLY 24 1HA GLY 24 -29.299 12.937 -5.961 195 H HIS 25 H HIS 25 -28.115 9.614 -6.245 196 HA HIS 25 HA HIS 25 -29.959 9.191 -8.556 197 1HB HIS 25 2HB HIS 25 -27.585 9.120 -8.975 198 2HB HIS 25 1HB HIS 25 -27.328 8.032 -7.618 199 HD1 HIS 25 HD1 HIS 25 -29.380 7.995 -10.852 200 HD2 HIS 25 HD2 HIS 25 -27.034 5.470 -8.522 201 HE1 HIS 25 HE1 HIS 25 -29.023 5.867 -12.175 202 H LYS 26 H LYS 26 -28.419 6.456 -7.108 203 HA LYS 26 HA LYS 26 -29.394 4.478 -6.270 204 1HB LYS 26 2HB LYS 26 -30.243 6.836 -4.640 205 2HB LYS 26 1HB LYS 26 -31.011 5.289 -4.281 206 1HG LYS 26 2HG LYS 26 -29.000 4.283 -3.652 207 2HG LYS 26 1HG LYS 26 -28.025 5.422 -4.581 208 1HD LYS 26 2HD LYS 26 -27.695 6.125 -2.357 209 2HD LYS 26 1HD LYS 26 -28.956 7.213 -2.941 210 1HE LYS 26 2HE LYS 26 -30.232 4.845 -1.949 211 2HE LYS 26 1HE LYS 26 -29.099 5.433 -0.714 212 1HZ LYS 26 1HZ LYS 26 -30.839 7.293 -2.211 213 2HZ LYS 26 2HZ LYS 26 -30.049 7.542 -0.727 214 3HZ LYS 26 3HZ LYS 26 -31.402 6.515 -0.813 215 H ARG 27 H ARG 27 -32.310 6.236 -5.448 216 HA ARG 27 HA ARG 27 -34.145 4.471 -6.585 217 1HB ARG 27 2HB ARG 27 -34.339 7.499 -6.454 218 2HB ARG 27 1HB ARG 27 -35.692 6.368 -6.457 219 1HG ARG 27 2HG ARG 27 -34.118 5.435 -4.380 220 2HG ARG 27 1HG ARG 27 -33.954 7.186 -4.243 221 1HD ARG 27 2HD ARG 27 -35.946 7.093 -3.132 222 2HD ARG 27 1HD ARG 27 -36.667 6.860 -4.738 223 HE ARG 27 HE ARG 27 -35.711 4.337 -3.910 224 1HH1 ARG 27 1HH2 ARG 27 -38.514 6.106 -4.107 225 2HH1 ARG 27 2HH2 ARG 27 -39.377 5.241 -2.879 226 1HH2 ARG 27 1HH1 ARG 27 -36.598 3.460 -1.812 227 2HH2 ARG 27 2HH1 ARG 27 -38.292 3.742 -1.578 228 H TYR 28 H TYR 28 -32.304 7.042 -8.158 229 HA TYR 28 HA TYR 28 -33.756 6.861 -10.701 230 1HB TYR 28 2HB TYR 28 -31.133 8.140 -9.856 231 2HB TYR 28 1HB TYR 28 -31.950 8.434 -11.393 232 HD1 TYR 28 HD1 TYR 28 -31.727 9.376 -7.938 233 HD2 TYR 28 HD2 TYR 28 -34.377 9.301 -11.317 234 HE1 TYR 28 HE1 TYR 28 -33.152 11.098 -6.860 235 HE2 TYR 28 HE2 TYR 28 -35.801 11.021 -10.239 236 HH TYR 28 HH TYR 28 -34.813 12.894 -7.701 237 H CYS 29 H CYS 29 -31.820 4.688 -9.244 238 HA CYS 29 HA CYS 29 -29.956 4.091 -11.430 239 1HB CYS 29 2HB CYS 29 -29.566 3.755 -8.942 240 2HB CYS 29 1HB CYS 29 -30.727 2.436 -9.014 241 H LYS 30 H LYS 30 -30.759 3.087 -13.271 242 HA LYS 30 HA LYS 30 -33.225 1.691 -13.477 243 1HB LYS 30 2HB LYS 30 -31.660 2.464 -15.322 244 2HB LYS 30 1HB LYS 30 -30.627 1.088 -14.932 245 1HG LYS 30 2HG LYS 30 -33.453 0.364 -15.284 246 2HG LYS 30 1HG LYS 30 -32.710 1.034 -16.738 247 1HD LYS 30 2HD LYS 30 -31.115 -0.663 -16.872 248 2HD LYS 30 1HD LYS 30 -31.236 -1.050 -15.154 249 1HE LYS 30 2HE LYS 30 -33.656 -1.450 -16.894 250 2HE LYS 30 1HE LYS 30 -32.359 -2.661 -16.923 251 1HZ LYS 30 1HZ LYS 30 -33.908 -1.700 -14.587 252 2HZ LYS 30 2HZ LYS 30 -32.425 -2.511 -14.412 253 3HZ LYS 30 3HZ LYS 30 -33.743 -3.292 -15.148 254 H PHE 31 H PHE 31 -30.197 0.866 -12.063 255 HA PHE 31 HA PHE 31 -30.887 -2.015 -11.720 256 1HB PHE 31 2HB PHE 31 -28.358 -0.393 -11.201 257 2HB PHE 31 1HB PHE 31 -28.439 -2.159 -11.256 258 HD1 PHE 31 HD1 PHE 31 -28.640 0.954 -13.224 259 HD2 PHE 31 HD2 PHE 31 -28.717 -3.335 -13.363 260 HE1 PHE 31 HE1 PHE 31 -28.406 1.033 -15.686 261 HE2 PHE 31 HE2 PHE 31 -28.493 -3.261 -15.826 262 HZ PHE 31 HZ PHE 31 -28.333 -1.076 -16.995 263 H ARG 32 H ARG 32 -31.694 0.717 -10.210 264 HA ARG 32 HA ARG 32 -30.772 0.792 -7.597 265 1HB ARG 32 2HB ARG 32 -32.770 1.982 -7.131 266 2HB ARG 32 1HB ARG 32 -32.528 2.221 -8.856 267 1HG ARG 32 2HG ARG 32 -34.240 -0.033 -7.791 268 2HG ARG 32 1HG ARG 32 -34.894 1.572 -8.096 269 1HD ARG 32 2HD ARG 32 -34.272 1.449 -10.445 270 2HD ARG 32 1HD ARG 32 -33.443 -0.098 -10.180 271 HE ARG 32 HE ARG 32 -35.614 -1.124 -9.716 272 1HH1 ARG 32 1HH2 ARG 32 -36.146 2.180 -9.566 273 2HH1 ARG 32 2HH2 ARG 32 -37.603 2.171 -10.503 274 1HH2 ARG 32 1HH1 ARG 32 -37.298 -1.157 -11.434 275 2HH2 ARG 32 2HH1 ARG 32 -38.256 0.280 -11.558 276 H TYR 33 H TYR 33 -32.973 -1.502 -9.044 277 HA TYR 33 HA TYR 33 -33.033 -2.992 -6.439 278 1HB TYR 33 2HB TYR 33 -35.143 -2.559 -8.570 279 2HB TYR 33 1HB TYR 33 -35.312 -3.756 -7.285 280 HD1 TYR 33 HD1 TYR 33 -36.731 -0.884 -8.008 281 HD2 TYR 33 HD2 TYR 33 -34.025 -2.353 -5.011 282 HE1 TYR 33 HE1 TYR 33 -37.487 0.892 -6.452 283 HE2 TYR 33 HE2 TYR 33 -34.781 -0.577 -3.457 284 HH TYR 33 HH TYR 33 -37.436 1.606 -4.312 285 H CYS 34 H CYS 34 -31.697 -3.078 -9.440 286 HA CYS 34 HA CYS 34 -32.224 -5.551 -10.623 287 1HB CYS 34 2HB CYS 34 -30.550 -3.817 -11.367 288 2HB CYS 34 1HB CYS 34 -29.505 -4.337 -10.045 289 H THR 35 H THR 35 -30.818 -7.590 -10.361 290 HA THR 35 HA THR 35 -29.972 -8.050 -7.535 291 HB THR 35 HB THR 35 -31.287 -10.364 -8.146 292 HG1 THR 35 HG1 THR 35 -33.102 -8.480 -9.066 293 1HG2 THR 35 1HG2 THR 35 -31.590 -8.194 -6.401 294 2HG2 THR 35 2HG2 THR 35 -32.426 -9.744 -6.307 295 3HG2 THR 35 3HG2 THR 35 -33.171 -8.389 -7.156 296 H CYS 36 H CYS 36 -29.121 -8.219 -10.744 297 HA CYS 36 HA CYS 36 -28.063 -10.738 -11.261 298 1HB CYS 36 2HB CYS 36 -26.519 -9.585 -12.693 299 2HB CYS 36 1HB CYS 36 -27.987 -8.610 -12.649 300 H GLU 37 H GLU 37 -25.650 -11.407 -10.963 301 HA GLU 37 HA GLU 37 -25.019 -11.326 -8.120 302 1HB GLU 37 2HB GLU 37 -24.444 -12.876 -10.429 303 2HB GLU 37 1HB GLU 37 -22.895 -12.342 -9.776 304 1HG GLU 37 2HG GLU 37 -23.070 -13.718 -7.998 305 2HG GLU 37 1HG GLU 37 -24.721 -13.190 -7.668 306 H LYS 38 H LYS 38 -24.476 -9.036 -10.460 307 HA LYS 38 HA LYS 38 -21.779 -8.247 -9.421 308 1HB LYS 38 2HB LYS 38 -23.481 -7.409 -11.798 309 2HB LYS 38 1HB LYS 38 -21.925 -6.677 -11.408 310 1HG LYS 38 2HG LYS 38 -21.027 -9.118 -11.415 311 2HG LYS 38 1HG LYS 38 -22.507 -9.495 -12.298 312 1HD LYS 38 2HD LYS 38 -21.534 -8.759 -14.188 313 2HD LYS 38 1HD LYS 38 -21.426 -7.150 -13.475 314 1HE LYS 38 2HE LYS 38 -19.171 -7.687 -14.000 315 2HE LYS 38 1HE LYS 38 -19.296 -8.079 -12.274 316 1HZ LYS 38 1HZ LYS 38 -20.193 -10.332 -13.301 317 2HZ LYS 38 2HZ LYS 38 -18.538 -10.071 -13.017 318 3HZ LYS 38 3HZ LYS 38 -19.177 -9.871 -14.579 319 H CYS 39 H CYS 39 -25.123 -7.549 -9.267 320 HA CYS 39 HA CYS 39 -24.785 -4.777 -8.308 321 1HB CYS 39 2HB CYS 39 -26.911 -6.622 -9.232 322 2HB CYS 39 1HB CYS 39 -27.398 -5.545 -7.937 323 H ARG 40 H ARG 40 -25.611 -8.042 -7.192 324 HA ARG 40 HA ARG 40 -26.058 -7.270 -4.421 325 1HB ARG 40 2HB ARG 40 -25.822 -9.759 -6.066 326 2HB ARG 40 1HB ARG 40 -25.622 -9.913 -4.320 327 1HG ARG 40 2HG ARG 40 -27.796 -9.152 -3.872 328 2HG ARG 40 1HG ARG 40 -27.951 -8.378 -5.449 329 1HD ARG 40 2HD ARG 40 -28.982 -10.249 -6.204 330 2HD ARG 40 1HD ARG 40 -27.469 -11.139 -5.943 331 HE ARG 40 HE ARG 40 -29.780 -11.320 -4.254 332 1HH1 ARG 40 1HH2 ARG 40 -27.236 -13.092 -4.429 333 2HH1 ARG 40 2HH2 ARG 40 -26.663 -12.962 -2.800 334 1HH2 ARG 40 1HH1 ARG 40 -28.667 -10.237 -2.030 335 2HH2 ARG 40 2HH1 ARG 40 -27.473 -11.346 -1.441 336 H LEU 41 H LEU 41 -23.418 -8.568 -6.363 337 HA LEU 41 HA LEU 41 -21.508 -8.948 -4.247 338 1HB LEU 41 2HB LEU 41 -20.926 -10.004 -6.237 339 2HB LEU 41 1HB LEU 41 -21.565 -8.694 -7.224 340 HG LEU 41 HG LEU 41 -19.643 -7.335 -6.850 341 1HD1 LEU 41 1HD1 LEU 41 -18.454 -7.420 -4.933 342 2HD1 LEU 41 2HD1 LEU 41 -18.005 -9.097 -5.241 343 3HD1 LEU 41 3HD1 LEU 41 -19.505 -8.729 -4.390 344 1HD2 LEU 41 1HD2 LEU 41 -18.654 -8.601 -8.430 345 2HD2 LEU 41 2HD2 LEU 41 -19.380 -10.073 -7.781 346 3HD2 LEU 41 3HD2 LEU 41 -17.854 -9.479 -7.126 347 H THR 42 H THR 42 -22.619 -6.214 -6.091 348 HA THR 42 HA THR 42 -20.491 -4.366 -5.420 349 HB THR 42 HB THR 42 -23.329 -4.202 -6.418 350 HG1 THR 42 HG1 THR 42 -20.741 -3.887 -7.490 351 1HG2 THR 42 1HG2 THR 42 -23.221 -2.133 -5.347 352 2HG2 THR 42 2HG2 THR 42 -22.570 -1.739 -6.938 353 3HG2 THR 42 3HG2 THR 42 -21.478 -1.993 -5.578 354 H ALA 43 H ALA 43 -23.892 -4.256 -4.429 355 HA ALA 43 HA ALA 43 -23.748 -2.550 -2.248 356 1HB ALA 43 1HB ALA 43 -25.727 -3.819 -3.305 357 2HB ALA 43 2HB ALA 43 -25.788 -3.608 -1.554 358 3HB ALA 43 3HB ALA 43 -25.296 -5.156 -2.239 359 H ASP 44 H ASP 44 -22.794 -5.928 -2.452 360 HA ASP 44 HA ASP 44 -22.265 -6.338 0.365 361 1HB ASP 44 2HB ASP 44 -22.635 -7.942 -1.698 362 2HB ASP 44 1HB ASP 44 -20.892 -7.762 -1.905 363 H ARG 45 H ARG 45 -20.348 -5.318 -2.439 364 HA ARG 45 HA ARG 45 -17.759 -5.325 -1.237 365 1HB ARG 45 2HB ARG 45 -18.841 -4.875 -3.688 366 2HB ARG 45 1HB ARG 45 -18.487 -3.217 -3.204 367 1HG ARG 45 2HG ARG 45 -16.527 -5.525 -3.313 368 2HG ARG 45 1HG ARG 45 -16.551 -4.110 -4.366 369 1HD ARG 45 2HD ARG 45 -15.843 -2.660 -2.637 370 2HD ARG 45 1HD ARG 45 -16.293 -3.816 -1.368 371 HE ARG 45 HE ARG 45 -14.088 -4.389 -3.314 372 1HH1 ARG 45 1HH2 ARG 45 -15.414 -6.192 -1.069 373 2HH1 ARG 45 2HH2 ARG 45 -14.124 -6.180 0.086 374 1HH2 ARG 45 1HH1 ARG 45 -12.432 -3.564 -1.443 375 2HH2 ARG 45 2HH1 ARG 45 -12.434 -4.688 -0.125 376 H GLN 46 H GLN 46 -19.939 -2.525 -1.797 377 HA GLN 46 HA GLN 46 -18.598 -1.146 0.505 378 1HB GLN 46 2HB GLN 46 -19.583 -0.367 -2.188 379 2HB GLN 46 1HB GLN 46 -19.862 0.807 -0.900 380 1HG GLN 46 2HG GLN 46 -17.562 1.034 -0.442 381 2HG GLN 46 1HG GLN 46 -17.158 -0.475 -1.260 382 1HE2 GLN 46 1HE2 GLN 46 -18.470 2.807 -1.959 383 2HE2 GLN 46 2HE2 GLN 46 -17.836 2.886 -3.531 384 H ARG 47 H ARG 47 -20.491 -2.833 1.401 385 HA ARG 47 HA ARG 47 -23.216 -2.059 1.314 386 1HB ARG 47 2HB ARG 47 -23.337 -3.353 3.421 387 2HB ARG 47 1HB ARG 47 -22.306 -4.164 2.242 388 1HG ARG 47 2HG ARG 47 -20.320 -3.060 3.321 389 2HG ARG 47 1HG ARG 47 -21.404 -2.463 4.580 390 1HD ARG 47 2HD ARG 47 -22.036 -5.167 4.447 391 2HD ARG 47 1HD ARG 47 -20.272 -5.141 4.247 392 HE ARG 47 HE ARG 47 -21.664 -3.720 6.488 393 1HH1 ARG 47 1HH2 ARG 47 -18.705 -3.275 5.734 394 2HH1 ARG 47 2HH2 ARG 47 -17.927 -4.281 6.910 395 1HH2 ARG 47 1HH1 ARG 47 -20.825 -5.991 7.752 396 2HH2 ARG 47 2HH1 ARG 47 -19.127 -5.819 8.052 397 H VAL 48 H VAL 48 -24.458 -0.707 2.714 398 HA VAL 48 HA VAL 48 -22.884 1.197 4.417 399 HB VAL 48 HB VAL 48 -25.274 1.833 2.661 400 1HG1 VAL 48 1HG1 VAL 48 -25.103 3.472 4.357 401 2HG1 VAL 48 2HG1 VAL 48 -24.243 4.181 2.991 402 3HG1 VAL 48 3HG1 VAL 48 -23.341 3.452 4.318 403 1HG2 VAL 48 1HG2 VAL 48 -22.300 1.993 2.139 404 2HG2 VAL 48 2HG2 VAL 48 -23.452 3.005 1.266 405 3HG2 VAL 48 3HG2 VAL 48 -23.546 1.250 1.135 406 H MET 49 H MET 49 -24.504 2.426 5.915 407 HA MET 49 HA MET 49 -26.374 0.406 7.077 408 1HB MET 49 2HB MET 49 -24.678 2.663 8.066 409 2HB MET 49 1HB MET 49 -26.128 2.259 8.984 410 1HG MET 49 2HG MET 49 -24.185 1.003 9.832 411 2HG MET 49 1HG MET 49 -25.380 -0.091 9.134 412 1HE MET 49 1HE MET 49 -22.055 -0.813 9.522 413 2HE MET 49 2HE MET 49 -22.079 0.949 9.540 414 3HE MET 49 3HE MET 49 -21.098 0.101 8.347 415 H ALA 50 H ALA 50 -26.855 2.437 4.783 416 HA ALA 50 HA ALA 50 -29.185 3.861 6.029 417 1HB ALA 50 1HB ALA 50 -27.427 4.491 3.637 418 2HB ALA 50 2HB ALA 50 -27.460 5.352 5.176 419 3HB ALA 50 3HB ALA 50 -28.847 5.433 4.090 420 H LEU 51 H LEU 51 -30.538 1.935 5.671 421 HA LEU 51 HA LEU 51 -31.123 1.379 2.784 422 1HB LEU 51 2HB LEU 51 -31.947 -0.781 3.640 423 2HB LEU 51 1HB LEU 51 -30.299 -0.493 4.197 424 HG LEU 51 HG LEU 51 -32.033 0.702 6.102 425 1HD1 LEU 51 1HD1 LEU 51 -32.743 -2.177 6.053 426 2HD1 LEU 51 2HD1 LEU 51 -33.522 -1.181 4.823 427 3HD1 LEU 51 3HD1 LEU 51 -33.716 -0.785 6.530 428 1HD2 LEU 51 1HD2 LEU 51 -29.858 -1.190 5.927 429 2HD2 LEU 51 2HD2 LEU 51 -31.058 -1.770 7.081 430 3HD2 LEU 51 3HD2 LEU 51 -30.332 -0.177 7.291 431 H GLN 52 H GLN 52 -33.308 1.480 2.099 432 HA GLN 52 HA GLN 52 -35.266 2.544 4.108 433 1HB GLN 52 2HB GLN 52 -34.359 3.506 1.431 434 2HB GLN 52 1HB GLN 52 -36.064 3.724 1.832 435 1HG GLN 52 2HG GLN 52 -35.489 5.538 3.033 436 2HG GLN 52 1HG GLN 52 -34.632 4.469 4.144 437 1HE2 GLN 52 1HE2 GLN 52 -32.413 4.827 4.305 438 2HE2 GLN 52 2HE2 GLN 52 -31.477 5.652 3.154 Start of MODEL 3 1 1H SER 1 1H SER 1 -7.241 6.420 -5.876 2 2H SER 1 2H SER 1 -8.541 7.230 -5.141 3 3H SER 1 3H SER 1 -6.983 7.336 -4.472 4 HA SER 1 HA SER 1 -6.815 9.265 -5.590 5 1HB SER 1 2HB SER 1 -5.657 7.205 -6.854 6 2HB SER 1 1HB SER 1 -6.779 7.678 -8.126 7 HG SER 1 HG SER 1 -4.850 9.302 -6.817 8 H ILE 2 H ILE 2 -8.617 7.388 -8.051 9 HA ILE 2 HA ILE 2 -10.315 9.709 -8.650 10 HB ILE 2 HB ILE 2 -9.389 8.092 -10.327 11 1HG1 ILE 2 2HG1 ILE 2 -11.935 7.510 -11.161 12 2HG1 ILE 2 1HG1 ILE 2 -12.234 8.828 -10.028 13 1HG2 ILE 2 1HG2 ILE 2 -10.632 6.220 -8.498 14 2HG2 ILE 2 2HG2 ILE 2 -9.514 5.901 -9.823 15 3HG2 ILE 2 3HG2 ILE 2 -11.248 5.987 -10.133 16 1HD1 ILE 2 1HD1 ILE 2 -10.373 8.865 -12.420 17 2HD1 ILE 2 2HD1 ILE 2 -10.436 10.145 -11.207 18 3HD1 ILE 2 3HD1 ILE 2 -11.850 9.806 -12.206 19 H SER 3 H SER 3 -11.045 9.531 -6.198 20 HA SER 3 HA SER 3 -13.724 8.323 -6.204 21 1HB SER 3 2HB SER 3 -11.381 7.033 -5.043 22 2HB SER 3 1HB SER 3 -12.633 7.309 -3.834 23 HG SER 3 HG SER 3 -14.055 6.437 -5.638 24 HA PRO 4 HA PRO 4 -13.209 10.790 -2.154 25 1HB PRO 4 2HB PRO 4 -10.699 11.606 -1.420 26 2HB PRO 4 1HB PRO 4 -11.389 10.042 -0.939 27 1HG PRO 4 2HG PRO 4 -9.462 10.669 -3.122 28 2HG PRO 4 1HG PRO 4 -9.490 9.298 -2.000 29 1HD PRO 4 2HD PRO 4 -10.348 9.122 -4.566 30 2HD PRO 4 1HD PRO 4 -11.021 8.134 -3.252 31 H ARG 5 H ARG 5 -10.958 11.650 -4.752 32 HA ARG 5 HA ARG 5 -11.661 14.534 -4.417 33 1HB ARG 5 2HB ARG 5 -9.663 14.928 -5.705 34 2HB ARG 5 1HB ARG 5 -9.268 13.667 -4.538 35 1HG ARG 5 2HG ARG 5 -8.747 12.245 -6.200 36 2HG ARG 5 1HG ARG 5 -10.348 12.447 -6.911 37 1HD ARG 5 2HD ARG 5 -9.638 14.136 -8.362 38 2HD ARG 5 1HD ARG 5 -8.284 14.602 -7.313 39 HE ARG 5 HE ARG 5 -8.314 12.302 -9.173 40 1HH1 ARG 5 1HH2 ARG 5 -6.104 14.370 -8.911 41 2HH1 ARG 5 2HH2 ARG 5 -4.885 13.461 -8.081 42 1HH2 ARG 5 1HH1 ARG 5 -7.060 10.953 -7.082 43 2HH2 ARG 5 2HH1 ARG 5 -5.426 11.528 -7.045 44 H THR 6 H THR 6 -13.058 12.031 -5.868 45 HA THR 6 HA THR 6 -13.963 13.659 -8.201 46 HB THR 6 HB THR 6 -13.796 11.390 -9.474 47 HG1 THR 6 HG1 THR 6 -13.336 10.172 -7.596 48 1HG2 THR 6 1HG2 THR 6 -12.231 12.726 -10.410 49 2HG2 THR 6 2HG2 THR 6 -11.075 11.902 -9.363 50 3HG2 THR 6 3HG2 THR 6 -11.790 13.431 -8.855 51 HA PRO 7 HA PRO 7 -17.895 12.117 -6.973 52 1HB PRO 7 2HB PRO 7 -19.239 12.229 -9.353 53 2HB PRO 7 1HB PRO 7 -18.816 13.674 -8.414 54 1HG PRO 7 2HG PRO 7 -17.503 12.531 -10.825 55 2HG PRO 7 1HG PRO 7 -17.763 14.223 -10.373 56 1HD PRO 7 2HD PRO 7 -15.373 12.916 -10.093 57 2HD PRO 7 1HD PRO 7 -15.865 14.310 -9.108 58 HA PRO 8 HA PRO 8 -17.324 7.834 -8.197 59 1HB PRO 8 2HB PRO 8 -18.706 6.775 -6.092 60 2HB PRO 8 1HB PRO 8 -17.033 7.352 -5.956 61 1HG PRO 8 2HG PRO 8 -19.551 8.627 -5.062 62 2HG PRO 8 1HG PRO 8 -17.931 8.703 -4.358 63 1HD PRO 8 2HD PRO 8 -19.111 10.686 -5.904 64 2HD PRO 8 1HD PRO 8 -17.372 10.531 -5.574 65 H ASN 9 H ASN 9 -18.623 7.188 -9.886 66 HA ASN 9 HA ASN 9 -21.420 7.812 -10.183 67 1HB ASN 9 2HB ASN 9 -21.232 6.418 -12.116 68 2HB ASN 9 1HB ASN 9 -19.645 7.166 -11.923 69 1HD2 ASN 9 1HD2 ASN 9 -21.419 4.121 -11.680 70 2HD2 ASN 9 2HD2 ASN 9 -20.056 3.136 -11.449 71 H CYS 10 H CYS 10 -23.154 6.177 -10.220 72 HA CYS 10 HA CYS 10 -23.349 4.698 -7.768 73 1HB CYS 10 2HB CYS 10 -25.277 5.627 -8.979 74 2HB CYS 10 1HB CYS 10 -24.909 4.645 -10.360 75 H ALA 11 H ALA 11 -22.953 2.504 -7.380 76 HA ALA 11 HA ALA 11 -21.504 1.029 -9.470 77 1HB ALA 11 1HB ALA 11 -22.213 -0.288 -6.929 78 2HB ALA 11 2HB ALA 11 -21.307 1.215 -6.759 79 3HB ALA 11 3HB ALA 11 -20.638 -0.116 -7.704 80 H ARG 12 H ARG 12 -24.609 0.848 -7.788 81 HA ARG 12 HA ARG 12 -25.508 -1.703 -8.485 82 1HB ARG 12 2HB ARG 12 -26.629 0.145 -7.174 83 2HB ARG 12 1HB ARG 12 -27.012 0.926 -8.700 84 1HG ARG 12 2HG ARG 12 -28.857 -0.310 -8.796 85 2HG ARG 12 1HG ARG 12 -27.838 -1.730 -9.016 86 1HD ARG 12 2HD ARG 12 -28.054 -0.826 -6.208 87 2HD ARG 12 1HD ARG 12 -29.575 -1.414 -6.910 88 HE ARG 12 HE ARG 12 -27.384 -3.152 -7.629 89 1HH1 ARG 12 1HH2 ARG 12 -30.298 -3.126 -6.097 90 2HH1 ARG 12 2HH2 ARG 12 -29.898 -4.279 -4.868 91 1HH2 ARG 12 1HH1 ARG 12 -26.506 -4.269 -5.590 92 2HH2 ARG 12 2HH1 ARG 12 -27.751 -4.928 -4.582 93 H CYS 13 H CYS 13 -25.688 1.250 -10.411 94 HA CYS 13 HA CYS 13 -26.594 -0.265 -12.768 95 1HB CYS 13 2HB CYS 13 -26.683 2.033 -13.742 96 2HB CYS 13 1HB CYS 13 -27.449 1.977 -12.173 97 H ARG 14 H ARG 14 -23.514 0.646 -11.430 98 HA ARG 14 HA ARG 14 -21.956 0.873 -13.837 99 1HB ARG 14 2HB ARG 14 -20.447 1.320 -12.214 100 2HB ARG 14 1HB ARG 14 -21.666 0.888 -11.037 101 1HG ARG 14 2HG ARG 14 -20.053 -1.322 -12.294 102 2HG ARG 14 1HG ARG 14 -19.315 -0.341 -11.044 103 1HD ARG 14 2HD ARG 14 -21.254 -0.899 -9.551 104 2HD ARG 14 1HD ARG 14 -21.802 -2.040 -10.783 105 HE ARG 14 HE ARG 14 -20.101 -3.467 -10.001 106 1HH1 ARG 14 1HH2 ARG 14 -17.883 -1.963 -11.205 107 2HH1 ARG 14 2HH2 ARG 14 -16.922 -1.509 -9.838 108 1HH2 ARG 14 1HH1 ARG 14 -19.443 -2.104 -7.533 109 2HH2 ARG 14 2HH1 ARG 14 -17.806 -1.585 -7.760 110 H ASN 15 H ASN 15 -23.128 -1.837 -12.015 111 HA ASN 15 HA ASN 15 -21.496 -3.936 -12.866 112 1HB ASN 15 2HB ASN 15 -24.419 -3.647 -12.195 113 2HB ASN 15 1HB ASN 15 -23.658 -5.220 -12.389 114 1HD2 ASN 15 1HD2 ASN 15 -24.259 -2.706 -10.228 115 2HD2 ASN 15 2HD2 ASN 15 -23.066 -3.017 -9.075 116 H HIS 16 H HIS 16 -24.201 -2.419 -14.475 117 HA HIS 16 HA HIS 16 -24.052 -4.328 -16.735 118 1HB HIS 16 2HB HIS 16 -25.907 -2.043 -16.014 119 2HB HIS 16 1HB HIS 16 -26.174 -3.210 -17.290 120 HD1 HIS 16 HD1 HIS 16 -27.279 -5.379 -16.670 121 HD2 HIS 16 HD2 HIS 16 -25.674 -3.366 -13.399 122 HE1 HIS 16 HE1 HIS 16 -27.943 -6.717 -14.606 123 H GLY 17 H GLY 17 -22.736 -1.309 -15.874 124 1HA GLY 17 2HA GLY 17 -21.061 -0.348 -17.419 125 2HA GLY 17 1HA GLY 17 -22.127 -0.782 -18.755 126 H LEU 18 H LEU 18 -23.334 0.614 -15.788 127 HA LEU 18 HA LEU 18 -24.284 2.961 -17.353 128 1HB LEU 18 2HB LEU 18 -25.473 1.211 -15.605 129 2HB LEU 18 1HB LEU 18 -25.083 2.559 -14.537 130 HG LEU 18 HG LEU 18 -27.312 2.877 -15.488 131 1HD1 LEU 18 1HD1 LEU 18 -25.757 4.822 -17.094 132 2HD1 LEU 18 2HD1 LEU 18 -25.347 4.731 -15.383 133 3HD1 LEU 18 3HD1 LEU 18 -26.998 5.106 -15.874 134 1HD2 LEU 18 1HD2 LEU 18 -26.056 3.060 -18.224 135 2HD2 LEU 18 2HD2 LEU 18 -27.756 2.859 -17.805 136 3HD2 LEU 18 3HD2 LEU 18 -26.634 1.514 -17.602 137 H LYS 19 H LYS 19 -23.908 5.105 -16.532 138 HA LYS 19 HA LYS 19 -22.014 5.437 -14.278 139 1HB LYS 19 2HB LYS 19 -21.572 6.291 -17.157 140 2HB LYS 19 1HB LYS 19 -20.596 6.876 -15.809 141 1HG LYS 19 2HG LYS 19 -20.932 3.968 -16.608 142 2HG LYS 19 1HG LYS 19 -19.505 4.960 -16.913 143 1HD LYS 19 2HD LYS 19 -20.161 5.185 -14.137 144 2HD LYS 19 1HD LYS 19 -20.135 3.472 -14.560 145 1HE LYS 19 2HE LYS 19 -17.918 5.281 -15.511 146 2HE LYS 19 1HE LYS 19 -17.878 4.598 -13.873 147 1HZ LYS 19 1HZ LYS 19 -16.906 2.928 -15.117 148 2HZ LYS 19 2HZ LYS 19 -17.903 3.195 -16.466 149 3HZ LYS 19 3HZ LYS 19 -18.527 2.428 -15.085 150 H ILE 20 H ILE 20 -23.842 6.438 -13.285 151 HA ILE 20 HA ILE 20 -24.915 8.899 -14.566 152 HB ILE 20 HB ILE 20 -26.864 8.302 -13.545 153 1HG1 ILE 20 2HG1 ILE 20 -25.657 8.911 -11.291 154 2HG1 ILE 20 1HG1 ILE 20 -27.203 8.112 -11.332 155 1HG2 ILE 20 1HG2 ILE 20 -26.062 6.178 -14.490 156 2HG2 ILE 20 2HG2 ILE 20 -27.179 5.972 -13.144 157 3HG2 ILE 20 3HG2 ILE 20 -25.452 5.741 -12.898 158 1HD1 ILE 20 1HD1 ILE 20 -24.567 6.697 -11.184 159 2HD1 ILE 20 2HD1 ILE 20 -26.157 5.945 -11.123 160 3HD1 ILE 20 3HD1 ILE 20 -25.629 7.002 -9.823 161 H THR 21 H THR 21 -22.504 8.063 -12.383 162 HA THR 21 HA THR 21 -21.119 9.502 -11.059 163 HB THR 21 HB THR 21 -23.197 11.653 -11.298 164 HG1 THR 21 HG1 THR 21 -22.938 11.796 -13.374 165 1HG2 THR 21 1HG2 THR 21 -21.396 12.555 -10.199 166 2HG2 THR 21 2HG2 THR 21 -20.818 12.792 -11.849 167 3HG2 THR 21 3HG2 THR 21 -20.259 11.409 -10.909 168 H LEU 22 H LEU 22 -24.120 8.392 -10.438 169 HA LEU 22 HA LEU 22 -25.479 8.094 -8.518 170 1HB LEU 22 2HB LEU 22 -23.437 6.895 -7.943 171 2HB LEU 22 1HB LEU 22 -22.693 8.381 -7.359 172 HG LEU 22 HG LEU 22 -25.248 8.042 -6.083 173 1HD1 LEU 22 1HD1 LEU 22 -24.938 5.645 -6.576 174 2HD1 LEU 22 2HD1 LEU 22 -24.777 5.959 -4.848 175 3HD1 LEU 22 3HD1 LEU 22 -23.338 5.698 -5.835 176 1HD2 LEU 22 1HD2 LEU 22 -22.777 7.551 -4.542 177 2HD2 LEU 22 2HD2 LEU 22 -24.033 8.764 -4.294 178 3HD2 LEU 22 3HD2 LEU 22 -22.763 9.040 -5.485 179 H LYS 23 H LYS 23 -24.812 10.980 -9.424 180 HA LYS 23 HA LYS 23 -24.874 12.508 -6.916 181 1HB LYS 23 2HB LYS 23 -24.110 12.984 -9.508 182 2HB LYS 23 1HB LYS 23 -25.698 13.752 -9.478 183 1HG LYS 23 2HG LYS 23 -24.993 15.426 -8.118 184 2HG LYS 23 1HG LYS 23 -24.053 14.328 -7.106 185 1HD LYS 23 2HD LYS 23 -22.528 14.224 -9.301 186 2HD LYS 23 1HD LYS 23 -23.231 15.823 -9.556 187 1HE LYS 23 2HE LYS 23 -21.137 16.022 -8.268 188 2HE LYS 23 1HE LYS 23 -22.513 16.456 -7.235 189 1HZ LYS 23 1HZ LYS 23 -22.431 14.478 -6.117 190 2HZ LYS 23 2HZ LYS 23 -20.777 14.683 -6.445 191 3HZ LYS 23 3HZ LYS 23 -21.712 13.640 -7.404 192 H GLY 24 H GLY 24 -26.815 12.276 -5.740 193 1HA GLY 24 2HA GLY 24 -29.146 12.124 -5.356 194 2HA GLY 24 1HA GLY 24 -29.280 13.314 -6.663 195 H HIS 25 H HIS 25 -28.413 9.874 -6.330 196 HA HIS 25 HA HIS 25 -30.056 9.305 -8.773 197 1HB HIS 25 2HB HIS 25 -27.666 9.294 -9.162 198 2HB HIS 25 1HB HIS 25 -27.402 8.262 -7.762 199 HD1 HIS 25 HD1 HIS 25 -29.441 8.066 -10.999 200 HD2 HIS 25 HD2 HIS 25 -27.042 5.673 -8.587 201 HE1 HIS 25 HE1 HIS 25 -29.049 5.897 -12.242 202 H LYS 26 H LYS 26 -28.448 6.689 -7.213 203 HA LYS 26 HA LYS 26 -29.376 4.729 -6.284 204 1HB LYS 26 2HB LYS 26 -30.416 7.085 -4.702 205 2HB LYS 26 1HB LYS 26 -30.759 5.429 -4.199 206 1HG LYS 26 2HG LYS 26 -28.721 5.298 -3.257 207 2HG LYS 26 1HG LYS 26 -27.982 5.581 -4.833 208 1HD LYS 26 2HD LYS 26 -28.214 8.023 -4.496 209 2HD LYS 26 1HD LYS 26 -28.917 7.727 -2.904 210 1HE LYS 26 2HE LYS 26 -26.397 6.286 -3.249 211 2HE LYS 26 1HE LYS 26 -26.197 8.040 -3.434 212 1HZ LYS 26 1HZ LYS 26 -27.160 8.452 -1.373 213 2HZ LYS 26 2HZ LYS 26 -26.196 7.087 -1.068 214 3HZ LYS 26 3HZ LYS 26 -27.873 6.917 -1.276 215 H ARG 27 H ARG 27 -32.276 6.475 -5.399 216 HA ARG 27 HA ARG 27 -34.127 4.653 -6.438 217 1HB ARG 27 2HB ARG 27 -34.539 6.598 -4.912 218 2HB ARG 27 1HB ARG 27 -34.369 7.679 -6.296 219 1HG ARG 27 2HG ARG 27 -36.206 6.169 -7.382 220 2HG ARG 27 1HG ARG 27 -36.541 5.678 -5.720 221 1HD ARG 27 2HD ARG 27 -36.372 8.418 -5.468 222 2HD ARG 27 1HD ARG 27 -37.133 8.234 -7.061 223 HE ARG 27 HE ARG 27 -38.878 6.860 -5.999 224 1HH1 ARG 27 1HH2 ARG 27 -37.636 9.404 -4.264 225 2HH1 ARG 27 2HH2 ARG 27 -38.198 8.875 -2.714 226 1HH2 ARG 27 1HH1 ARG 27 -39.184 5.749 -3.842 227 2HH2 ARG 27 2HH1 ARG 27 -39.076 6.808 -2.476 228 H TYR 28 H TYR 28 -32.237 7.061 -8.115 229 HA TYR 28 HA TYR 28 -33.836 6.926 -10.595 230 1HB TYR 28 2HB TYR 28 -31.275 8.281 -9.706 231 2HB TYR 28 1HB TYR 28 -31.918 8.439 -11.343 232 HD1 TYR 28 HD1 TYR 28 -32.918 8.833 -7.754 233 HD2 TYR 28 HD2 TYR 28 -33.534 10.067 -11.821 234 HE1 TYR 28 HE1 TYR 28 -34.482 10.596 -6.981 235 HE2 TYR 28 HE2 TYR 28 -35.099 11.830 -11.049 236 HH TYR 28 HH TYR 28 -36.411 11.897 -7.962 237 H CYS 29 H CYS 29 -31.886 4.759 -9.191 238 HA CYS 29 HA CYS 29 -30.033 4.170 -11.386 239 1HB CYS 29 2HB CYS 29 -29.681 3.819 -8.880 240 2HB CYS 29 1HB CYS 29 -30.809 2.474 -9.004 241 H LYS 30 H LYS 30 -30.663 3.010 -13.181 242 HA LYS 30 HA LYS 30 -33.207 1.723 -13.463 243 1HB LYS 30 2HB LYS 30 -31.148 2.409 -15.094 244 2HB LYS 30 1HB LYS 30 -30.829 0.681 -14.934 245 1HG LYS 30 2HG LYS 30 -33.553 0.729 -15.338 246 2HG LYS 30 1HG LYS 30 -33.000 2.057 -16.361 247 1HD LYS 30 2HD LYS 30 -31.131 0.030 -16.804 248 2HD LYS 30 1HD LYS 30 -32.679 -0.814 -16.738 249 1HE LYS 30 2HE LYS 30 -32.534 -0.180 -19.008 250 2HE LYS 30 1HE LYS 30 -33.497 1.139 -18.309 251 1HZ LYS 30 1HZ LYS 30 -31.691 2.543 -18.227 252 2HZ LYS 30 2HZ LYS 30 -31.371 1.698 -19.667 253 3HZ LYS 30 3HZ LYS 30 -30.558 1.280 -18.234 254 H PHE 31 H PHE 31 -30.315 0.878 -11.838 255 HA PHE 31 HA PHE 31 -31.075 -1.997 -11.550 256 1HB PHE 31 2HB PHE 31 -28.502 -0.490 -10.941 257 2HB PHE 31 1HB PHE 31 -28.670 -2.245 -11.046 258 HD1 PHE 31 HD1 PHE 31 -28.818 0.925 -12.956 259 HD2 PHE 31 HD2 PHE 31 -28.768 -3.360 -13.181 260 HE1 PHE 31 HE1 PHE 31 -28.509 1.063 -15.405 261 HE2 PHE 31 HE2 PHE 31 -28.456 -3.225 -15.633 262 HZ PHE 31 HZ PHE 31 -28.321 -1.014 -16.752 263 H ARG 32 H ARG 32 -31.722 0.815 -10.072 264 HA ARG 32 HA ARG 32 -30.931 0.909 -7.452 265 1HB ARG 32 2HB ARG 32 -32.909 2.131 -7.100 266 2HB ARG 32 1HB ARG 32 -32.704 2.235 -8.842 267 1HG ARG 32 2HG ARG 32 -34.397 0.099 -7.522 268 2HG ARG 32 1HG ARG 32 -35.051 1.647 -8.040 269 1HD ARG 32 2HD ARG 32 -33.469 0.387 -10.155 270 2HD ARG 32 1HD ARG 32 -34.831 -0.620 -9.643 271 HE ARG 32 HE ARG 32 -35.870 1.964 -9.796 272 1HH1 ARG 32 1HH2 ARG 32 -35.138 -0.707 -11.736 273 2HH1 ARG 32 2HH2 ARG 32 -35.497 0.076 -13.238 274 1HH2 ARG 32 1HH1 ARG 32 -35.954 3.200 -11.807 275 2HH2 ARG 32 2HH1 ARG 32 -35.962 2.286 -13.278 276 H TYR 33 H TYR 33 -32.973 -1.489 -8.932 277 HA TYR 33 HA TYR 33 -33.094 -2.943 -6.303 278 1HB TYR 33 2HB TYR 33 -35.167 -2.574 -8.480 279 2HB TYR 33 1HB TYR 33 -35.333 -3.774 -7.198 280 HD1 TYR 33 HD1 TYR 33 -36.837 -0.977 -7.959 281 HD2 TYR 33 HD2 TYR 33 -34.125 -2.303 -4.901 282 HE1 TYR 33 HE1 TYR 33 -37.696 0.778 -6.432 283 HE2 TYR 33 HE2 TYR 33 -34.983 -0.549 -3.377 284 HH TYR 33 HH TYR 33 -36.123 1.645 -3.555 285 H CYS 34 H CYS 34 -31.662 -3.033 -9.238 286 HA CYS 34 HA CYS 34 -32.130 -5.480 -10.478 287 1HB CYS 34 2HB CYS 34 -30.433 -3.695 -11.074 288 2HB CYS 34 1HB CYS 34 -29.417 -4.325 -9.778 289 H THR 35 H THR 35 -30.752 -7.513 -10.245 290 HA THR 35 HA THR 35 -29.903 -8.079 -7.447 291 HB THR 35 HB THR 35 -31.299 -10.200 -7.613 292 HG1 THR 35 HG1 THR 35 -31.474 -9.687 -10.031 293 1HG2 THR 35 1HG2 THR 35 -32.943 -9.107 -6.505 294 2HG2 THR 35 2HG2 THR 35 -33.306 -8.074 -7.888 295 3HG2 THR 35 3HG2 THR 35 -31.982 -7.658 -6.798 296 H CYS 36 H CYS 36 -29.076 -8.139 -10.642 297 HA CYS 36 HA CYS 36 -28.143 -10.696 -11.268 298 1HB CYS 36 2HB CYS 36 -26.612 -9.560 -12.720 299 2HB CYS 36 1HB CYS 36 -28.038 -8.532 -12.598 300 H GLU 37 H GLU 37 -25.655 -11.336 -11.111 301 HA GLU 37 HA GLU 37 -25.000 -11.402 -8.255 302 1HB GLU 37 2HB GLU 37 -24.820 -13.288 -9.937 303 2HB GLU 37 1HB GLU 37 -23.442 -12.439 -10.640 304 1HG GLU 37 2HG GLU 37 -22.430 -12.435 -8.288 305 2HG GLU 37 1HG GLU 37 -23.688 -13.593 -7.857 306 H LYS 38 H LYS 38 -24.407 -9.041 -10.492 307 HA LYS 38 HA LYS 38 -21.648 -8.450 -9.482 308 1HB LYS 38 2HB LYS 38 -23.296 -7.324 -11.781 309 2HB LYS 38 1HB LYS 38 -21.619 -6.902 -11.429 310 1HG LYS 38 2HG LYS 38 -21.485 -9.637 -11.483 311 2HG LYS 38 1HG LYS 38 -22.717 -9.324 -12.707 312 1HD LYS 38 2HD LYS 38 -21.221 -7.790 -13.877 313 2HD LYS 38 1HD LYS 38 -20.001 -7.981 -12.617 314 1HE LYS 38 2HE LYS 38 -19.258 -9.501 -14.256 315 2HE LYS 38 1HE LYS 38 -20.226 -10.552 -13.203 316 1HZ LYS 38 1HZ LYS 38 -20.702 -10.423 -15.771 317 2HZ LYS 38 2HZ LYS 38 -21.600 -9.055 -15.315 318 3HZ LYS 38 3HZ LYS 38 -21.968 -10.576 -14.654 319 H CYS 39 H CYS 39 -24.949 -7.526 -9.359 320 HA CYS 39 HA CYS 39 -24.478 -4.829 -8.262 321 1HB CYS 39 2HB CYS 39 -26.715 -6.584 -9.161 322 2HB CYS 39 1HB CYS 39 -27.105 -5.461 -7.873 323 H ARG 40 H ARG 40 -25.469 -8.101 -7.298 324 HA ARG 40 HA ARG 40 -25.840 -7.484 -4.479 325 1HB ARG 40 2HB ARG 40 -26.007 -9.736 -6.349 326 2HB ARG 40 1HB ARG 40 -25.347 -10.216 -4.786 327 1HG ARG 40 2HG ARG 40 -27.272 -9.375 -3.621 328 2HG ARG 40 1HG ARG 40 -27.880 -8.586 -5.079 329 1HD ARG 40 2HD ARG 40 -29.161 -10.545 -5.081 330 2HD ARG 40 1HD ARG 40 -27.769 -11.071 -6.050 331 HE ARG 40 HE ARG 40 -26.819 -12.081 -4.005 332 1HH1 ARG 40 1HH2 ARG 40 -29.619 -13.252 -4.430 333 2HH1 ARG 40 2HH2 ARG 40 -30.242 -13.198 -2.814 334 1HH2 ARG 40 1HH1 ARG 40 -27.806 -11.016 -1.664 335 2HH2 ARG 40 2HH1 ARG 40 -29.216 -11.932 -1.249 336 H LEU 41 H LEU 41 -23.292 -8.704 -6.563 337 HA LEU 41 HA LEU 41 -21.385 -9.391 -4.516 338 1HB LEU 41 2HB LEU 41 -20.944 -10.320 -6.610 339 2HB LEU 41 1HB LEU 41 -21.449 -8.865 -7.464 340 HG LEU 41 HG LEU 41 -19.403 -7.738 -6.945 341 1HD1 LEU 41 1HD1 LEU 41 -19.414 -9.310 -4.640 342 2HD1 LEU 41 2HD1 LEU 41 -18.130 -8.205 -5.128 343 3HD1 LEU 41 3HD1 LEU 41 -18.032 -9.914 -5.550 344 1HD2 LEU 41 1HD2 LEU 41 -19.299 -9.409 -8.782 345 2HD2 LEU 41 2HD2 LEU 41 -18.749 -10.622 -7.626 346 3HD2 LEU 41 3HD2 LEU 41 -17.741 -9.218 -7.977 347 H THR 42 H THR 42 -22.255 -6.448 -6.199 348 HA THR 42 HA THR 42 -19.997 -4.859 -5.260 349 HB THR 42 HB THR 42 -22.709 -4.228 -6.440 350 HG1 THR 42 HG1 THR 42 -20.767 -5.348 -7.550 351 1HG2 THR 42 1HG2 THR 42 -22.083 -2.230 -5.357 352 2HG2 THR 42 2HG2 THR 42 -21.485 -2.015 -7.003 353 3HG2 THR 42 3HG2 THR 42 -20.372 -2.470 -5.712 354 H ALA 43 H ALA 43 -23.452 -4.347 -4.677 355 HA ALA 43 HA ALA 43 -23.387 -2.769 -2.405 356 1HB ALA 43 1HB ALA 43 -25.396 -3.580 -3.660 357 2HB ALA 43 2HB ALA 43 -25.588 -3.764 -1.917 358 3HB ALA 43 3HB ALA 43 -25.192 -5.165 -2.914 359 H ASP 44 H ASP 44 -22.660 -6.175 -2.705 360 HA ASP 44 HA ASP 44 -22.558 -6.732 0.164 361 1HB ASP 44 2HB ASP 44 -23.117 -8.438 -1.491 362 2HB ASP 44 1HB ASP 44 -21.602 -8.148 -2.346 363 H ARG 45 H ARG 45 -20.226 -6.091 -2.451 364 HA ARG 45 HA ARG 45 -17.802 -6.513 -1.063 365 1HB ARG 45 2HB ARG 45 -18.731 -5.477 -3.518 366 2HB ARG 45 1HB ARG 45 -17.728 -4.204 -2.824 367 1HG ARG 45 2HG ARG 45 -16.291 -6.547 -2.326 368 2HG ARG 45 1HG ARG 45 -16.929 -6.770 -3.956 369 1HD ARG 45 2HD ARG 45 -15.964 -4.648 -4.682 370 2HD ARG 45 1HD ARG 45 -15.425 -4.296 -3.027 371 HE ARG 45 HE ARG 45 -14.065 -6.042 -4.862 372 1HH1 ARG 45 1HH2 ARG 45 -14.922 -5.514 -1.565 373 2HH1 ARG 45 2HH2 ARG 45 -13.714 -6.586 -0.941 374 1HH2 ARG 45 1HH1 ARG 45 -12.556 -7.533 -4.069 375 2HH2 ARG 45 2HH1 ARG 45 -12.375 -7.728 -2.357 376 H GLN 46 H GLN 46 -20.047 -3.789 -0.969 377 HA GLN 46 HA GLN 46 -18.569 -2.697 1.371 378 1HB GLN 46 2HB GLN 46 -18.810 -1.545 -1.343 379 2HB GLN 46 1HB GLN 46 -19.177 -0.422 -0.033 380 1HG GLN 46 2HG GLN 46 -17.003 -0.265 0.547 381 2HG GLN 46 1HG GLN 46 -16.821 -2.019 0.573 382 1HE2 GLN 46 1HE2 GLN 46 -17.451 0.407 -2.039 383 2HE2 GLN 46 2HE2 GLN 46 -16.235 -0.177 -3.069 384 H ARG 47 H ARG 47 -20.323 -3.087 2.764 385 HA ARG 47 HA ARG 47 -23.082 -2.562 2.031 386 1HB ARG 47 2HB ARG 47 -21.595 -3.088 4.616 387 2HB ARG 47 1HB ARG 47 -23.350 -2.933 4.540 388 1HG ARG 47 2HG ARG 47 -23.567 -4.842 3.139 389 2HG ARG 47 1HG ARG 47 -21.841 -4.864 2.775 390 1HD ARG 47 2HD ARG 47 -22.843 -5.211 5.609 391 2HD ARG 47 1HD ARG 47 -22.665 -6.591 4.507 392 HE ARG 47 HE ARG 47 -20.260 -5.465 4.170 393 1HH1 ARG 47 1HH2 ARG 47 -21.186 -7.499 6.455 394 2HH1 ARG 47 2HH2 ARG 47 -20.235 -6.870 7.758 395 1HH2 ARG 47 1HH1 ARG 47 -19.432 -3.929 6.106 396 2HH2 ARG 47 2HH1 ARG 47 -19.244 -4.849 7.561 397 H VAL 48 H VAL 48 -22.024 -0.216 1.323 398 HA VAL 48 HA VAL 48 -22.126 1.688 3.597 399 HB VAL 48 HB VAL 48 -21.400 3.276 1.810 400 1HG1 VAL 48 1HG1 VAL 48 -19.448 1.363 1.119 401 2HG1 VAL 48 2HG1 VAL 48 -20.010 0.911 2.728 402 3HG1 VAL 48 3HG1 VAL 48 -19.373 2.529 2.440 403 1HG2 VAL 48 1HG2 VAL 48 -21.151 2.589 -0.444 404 2HG2 VAL 48 2HG2 VAL 48 -22.715 1.929 0.030 405 3HG2 VAL 48 3HG2 VAL 48 -21.298 0.882 -0.028 406 H MET 49 H MET 49 -24.606 0.645 3.431 407 HA MET 49 HA MET 49 -26.299 2.098 1.528 408 1HB MET 49 2HB MET 49 -26.686 -0.241 2.341 409 2HB MET 49 1HB MET 49 -26.995 0.414 3.949 410 1HG MET 49 2HG MET 49 -28.549 1.852 1.985 411 2HG MET 49 1HG MET 49 -28.854 0.121 1.844 412 1HE MET 49 1HE MET 49 -31.654 1.399 2.978 413 2HE MET 49 2HE MET 49 -30.449 2.588 2.489 414 3HE MET 49 3HE MET 49 -31.179 2.692 4.088 415 H ALA 50 H ALA 50 -26.090 1.993 5.077 416 HA ALA 50 HA ALA 50 -26.596 4.913 5.195 417 1HB ALA 50 1HB ALA 50 -28.498 4.361 6.851 418 2HB ALA 50 2HB ALA 50 -28.432 2.727 6.190 419 3HB ALA 50 3HB ALA 50 -28.826 4.088 5.140 420 H LEU 51 H LEU 51 -26.972 2.309 7.610 421 HA LEU 51 HA LEU 51 -24.493 3.262 8.978 422 1HB LEU 51 2HB LEU 51 -25.923 3.166 11.113 423 2HB LEU 51 1HB LEU 51 -26.253 4.505 10.013 424 HG LEU 51 HG LEU 51 -27.780 2.052 9.426 425 1HD1 LEU 51 1HD1 LEU 51 -28.259 1.667 11.629 426 2HD1 LEU 51 2HD1 LEU 51 -29.374 3.014 11.401 427 3HD1 LEU 51 3HD1 LEU 51 -27.789 3.294 12.121 428 1HD2 LEU 51 1HD2 LEU 51 -29.208 4.542 10.003 429 2HD2 LEU 51 2HD2 LEU 51 -29.167 3.594 8.516 430 3HD2 LEU 51 3HD2 LEU 51 -27.897 4.772 8.846 431 H GLN 52 H GLN 52 -23.776 1.680 10.662 432 HA GLN 52 HA GLN 52 -24.990 -1.008 10.621 433 1HB GLN 52 2HB GLN 52 -22.841 -1.996 9.749 434 2HB GLN 52 1HB GLN 52 -23.691 -1.002 8.564 435 1HG GLN 52 2HG GLN 52 -21.510 -0.187 8.377 436 2HG GLN 52 1HG GLN 52 -22.210 0.936 9.543 437 1HE2 GLN 52 1HE2 GLN 52 -20.547 1.353 11.027 438 2HE2 GLN 52 2HE2 GLN 52 -19.631 0.155 11.806 Start of MODEL 4 1 1H SER 1 1H SER 1 -2.179 4.846 -12.379 2 2H SER 1 2H SER 1 -2.455 3.172 -12.472 3 3H SER 1 3H SER 1 -2.951 4.041 -11.100 4 HA SER 1 HA SER 1 -4.652 3.400 -13.001 5 1HB SER 1 2HB SER 1 -5.093 4.496 -10.848 6 2HB SER 1 1HB SER 1 -4.429 6.008 -11.463 7 HG SER 1 HG SER 1 -6.174 6.296 -12.677 8 H ILE 2 H ILE 2 -5.317 4.085 -15.035 9 HA ILE 2 HA ILE 2 -3.549 5.938 -16.496 10 HB ILE 2 HB ILE 2 -6.049 4.490 -17.417 11 1HG1 ILE 2 2HG1 ILE 2 -4.455 2.939 -16.276 12 2HG1 ILE 2 1HG1 ILE 2 -4.597 2.611 -18.003 13 1HG2 ILE 2 1HG2 ILE 2 -5.422 5.856 -19.180 14 2HG2 ILE 2 2HG2 ILE 2 -4.421 4.443 -19.519 15 3HG2 ILE 2 3HG2 ILE 2 -3.719 5.849 -18.717 16 1HD1 ILE 2 1HD1 ILE 2 -2.224 3.072 -16.608 17 2HD1 ILE 2 2HD1 ILE 2 -2.529 4.590 -17.451 18 3HD1 ILE 2 3HD1 ILE 2 -2.419 3.082 -18.360 19 H SER 3 H SER 3 -6.652 6.011 -14.921 20 HA SER 3 HA SER 3 -7.019 8.829 -15.849 21 1HB SER 3 2HB SER 3 -9.174 6.695 -15.757 22 2HB SER 3 1HB SER 3 -9.361 8.348 -16.336 23 HG SER 3 HG SER 3 -8.284 7.856 -18.120 24 HA PRO 4 HA PRO 4 -7.793 9.354 -11.536 25 1HB PRO 4 2HB PRO 4 -8.895 11.856 -11.641 26 2HB PRO 4 1HB PRO 4 -7.157 11.558 -11.847 27 1HG PRO 4 2HG PRO 4 -9.242 12.096 -13.896 28 2HG PRO 4 1HG PRO 4 -7.552 12.616 -13.840 29 1HD PRO 4 2HD PRO 4 -8.473 10.548 -15.387 30 2HD PRO 4 1HD PRO 4 -6.796 10.698 -14.816 31 H ARG 5 H ARG 5 -9.469 8.047 -10.807 32 HA ARG 5 HA ARG 5 -12.227 8.470 -11.803 33 1HB ARG 5 2HB ARG 5 -10.788 6.268 -11.224 34 2HB ARG 5 1HB ARG 5 -11.534 6.528 -9.646 35 1HG ARG 5 2HG ARG 5 -13.655 6.917 -11.362 36 2HG ARG 5 1HG ARG 5 -12.753 5.631 -12.167 37 1HD ARG 5 2HD ARG 5 -13.986 4.312 -10.721 38 2HD ARG 5 1HD ARG 5 -12.663 4.719 -9.611 39 HE ARG 5 HE ARG 5 -14.807 6.717 -9.692 40 1HH1 ARG 5 1HH2 ARG 5 -16.149 4.218 -8.803 41 2HH1 ARG 5 2HH2 ARG 5 -15.885 4.237 -7.092 42 1HH2 ARG 5 1HH1 ARG 5 -13.343 6.591 -7.243 43 2HH2 ARG 5 2HH1 ARG 5 -14.297 5.581 -6.208 44 H THR 6 H THR 6 -11.978 10.739 -10.627 45 HA THR 6 HA THR 6 -12.279 10.637 -7.714 46 HB THR 6 HB THR 6 -11.041 12.385 -9.075 47 HG1 THR 6 HG1 THR 6 -12.115 14.129 -7.788 48 1HG2 THR 6 1HG2 THR 6 -13.882 12.995 -9.855 49 2HG2 THR 6 2HG2 THR 6 -12.443 12.921 -10.872 50 3HG2 THR 6 3HG2 THR 6 -12.682 14.285 -9.781 51 HA PRO 7 HA PRO 7 -16.727 11.832 -8.971 52 1HB PRO 7 2HB PRO 7 -17.662 10.833 -11.336 53 2HB PRO 7 1HB PRO 7 -16.870 12.415 -11.203 54 1HG PRO 7 2HG PRO 7 -15.829 9.868 -12.272 55 2HG PRO 7 1HG PRO 7 -15.420 11.532 -12.707 56 1HD PRO 7 2HD PRO 7 -13.910 9.824 -11.084 57 2HD PRO 7 1HD PRO 7 -13.690 11.575 -11.256 58 HA PRO 8 HA PRO 8 -17.452 7.601 -7.568 59 1HB PRO 8 2HB PRO 8 -19.285 8.286 -5.662 60 2HB PRO 8 1HB PRO 8 -17.535 8.430 -5.409 61 1HG PRO 8 2HG PRO 8 -19.531 10.531 -6.063 62 2HG PRO 8 1HG PRO 8 -18.110 10.611 -5.012 63 1HD PRO 8 2HD PRO 8 -18.198 11.623 -7.560 64 2HD PRO 8 1HD PRO 8 -16.707 11.117 -6.736 65 H ASN 9 H ASN 9 -18.666 6.606 -9.188 66 HA ASN 9 HA ASN 9 -21.385 7.637 -9.835 67 1HB ASN 9 2HB ASN 9 -21.190 6.147 -11.732 68 2HB ASN 9 1HB ASN 9 -19.673 7.037 -11.578 69 1HD2 ASN 9 1HD2 ASN 9 -17.763 5.846 -10.953 70 2HD2 ASN 9 2HD2 ASN 9 -17.750 4.153 -10.833 71 H CYS 10 H CYS 10 -23.192 6.215 -9.792 72 HA CYS 10 HA CYS 10 -23.521 4.625 -7.458 73 1HB CYS 10 2HB CYS 10 -25.362 5.631 -8.769 74 2HB CYS 10 1HB CYS 10 -24.944 4.640 -10.131 75 H ALA 11 H ALA 11 -22.844 2.492 -7.068 76 HA ALA 11 HA ALA 11 -21.494 1.108 -9.236 77 1HB ALA 11 1HB ALA 11 -20.733 -0.372 -7.551 78 2HB ALA 11 2HB ALA 11 -22.105 0.004 -6.509 79 3HB ALA 11 3HB ALA 11 -20.836 1.203 -6.763 80 H ARG 12 H ARG 12 -24.617 0.998 -7.784 81 HA ARG 12 HA ARG 12 -25.449 -1.661 -8.390 82 1HB ARG 12 2HB ARG 12 -26.556 0.185 -7.047 83 2HB ARG 12 1HB ARG 12 -26.994 0.941 -8.571 84 1HG ARG 12 2HG ARG 12 -28.686 -0.467 -8.891 85 2HG ARG 12 1HG ARG 12 -27.686 -1.874 -8.544 86 1HD ARG 12 2HD ARG 12 -28.918 -0.064 -6.429 87 2HD ARG 12 1HD ARG 12 -29.536 -1.664 -6.880 88 HE ARG 12 HE ARG 12 -26.684 -1.625 -6.189 89 1HH1 ARG 12 1HH2 ARG 12 -29.180 -0.874 -4.205 90 2HH1 ARG 12 2HH2 ARG 12 -29.105 -2.295 -3.217 91 1HH2 ARG 12 1HH1 ARG 12 -26.899 -3.956 -5.310 92 2HH2 ARG 12 2HH1 ARG 12 -27.812 -4.038 -3.841 93 H CYS 13 H CYS 13 -25.698 1.309 -10.294 94 HA CYS 13 HA CYS 13 -26.678 -0.182 -12.603 95 1HB CYS 13 2HB CYS 13 -26.719 2.126 -13.598 96 2HB CYS 13 1HB CYS 13 -27.508 2.037 -12.043 97 H ARG 14 H ARG 14 -23.406 0.834 -11.573 98 HA ARG 14 HA ARG 14 -22.285 0.796 -14.268 99 1HB ARG 14 2HB ARG 14 -20.130 0.294 -12.992 100 2HB ARG 14 1HB ARG 14 -20.975 1.763 -12.511 101 1HG ARG 14 2HG ARG 14 -20.331 0.601 -10.510 102 2HG ARG 14 1HG ARG 14 -22.064 0.454 -10.694 103 1HD ARG 14 2HD ARG 14 -20.762 -1.655 -10.002 104 2HD ARG 14 1HD ARG 14 -21.909 -1.832 -11.318 105 HE ARG 14 HE ARG 14 -19.985 -1.613 -12.903 106 1HH1 ARG 14 1HH1 ARG 14 -17.922 -0.385 -11.259 107 2HH1 ARG 14 2HH1 ARG 14 -16.945 -1.726 -10.757 108 1HH2 ARG 14 1HH2 ARG 14 -19.350 -4.104 -11.522 109 2HH2 ARG 14 2HH2 ARG 14 -17.754 -3.832 -10.909 110 H ASN 15 H ASN 15 -23.503 -1.646 -12.232 111 HA ASN 15 HA ASN 15 -21.843 -3.852 -12.810 112 1HB ASN 15 2HB ASN 15 -24.765 -3.440 -12.206 113 2HB ASN 15 1HB ASN 15 -24.064 -5.048 -12.299 114 1HD2 ASN 15 1HD2 ASN 15 -24.888 -2.796 -10.118 115 2HD2 ASN 15 2HD2 ASN 15 -23.657 -2.954 -8.971 116 H HIS 16 H HIS 16 -24.481 -2.388 -14.555 117 HA HIS 16 HA HIS 16 -24.358 -4.428 -16.707 118 1HB HIS 16 2HB HIS 16 -26.228 -2.148 -16.008 119 2HB HIS 16 1HB HIS 16 -26.505 -3.326 -17.272 120 HD1 HIS 16 HD1 HIS 16 -27.387 -5.599 -16.634 121 HD2 HIS 16 HD2 HIS 16 -26.096 -3.351 -13.369 122 HE1 HIS 16 HE1 HIS 16 -28.003 -6.930 -14.555 123 H GLY 17 H GLY 17 -23.094 -1.348 -15.978 124 1HA GLY 17 2HA GLY 17 -21.438 -0.481 -17.638 125 2HA GLY 17 1HA GLY 17 -22.610 -0.875 -18.898 126 H LEU 18 H LEU 18 -23.371 0.594 -15.799 127 HA LEU 18 HA LEU 18 -24.407 2.976 -17.279 128 1HB LEU 18 2HB LEU 18 -25.590 1.195 -15.560 129 2HB LEU 18 1HB LEU 18 -25.129 2.491 -14.455 130 HG LEU 18 HG LEU 18 -27.372 2.909 -15.311 131 1HD1 LEU 18 1HD1 LEU 18 -26.997 5.133 -15.629 132 2HD1 LEU 18 2HD1 LEU 18 -25.836 4.854 -16.928 133 3HD1 LEU 18 3HD1 LEU 18 -25.336 4.689 -15.246 134 1HD2 LEU 18 1HD2 LEU 18 -26.448 1.705 -17.620 135 2HD2 LEU 18 2HD2 LEU 18 -26.537 3.402 -18.089 136 3HD2 LEU 18 3HD2 LEU 18 -27.972 2.580 -17.478 137 H LYS 19 H LYS 19 -23.926 5.078 -16.394 138 HA LYS 19 HA LYS 19 -21.991 5.286 -14.168 139 1HB LYS 19 2HB LYS 19 -21.495 5.904 -17.074 140 2HB LYS 19 1HB LYS 19 -20.667 6.846 -15.834 141 1HG LYS 19 2HG LYS 19 -20.601 3.822 -16.085 142 2HG LYS 19 1HG LYS 19 -19.295 4.916 -16.537 143 1HD LYS 19 2HD LYS 19 -20.171 5.480 -13.836 144 2HD LYS 19 1HD LYS 19 -19.750 3.775 -13.995 145 1HE LYS 19 2HE LYS 19 -17.826 5.514 -15.362 146 2HE LYS 19 1HE LYS 19 -17.926 5.842 -13.621 147 1HZ LYS 19 1HZ LYS 19 -17.335 3.288 -14.984 148 2HZ LYS 19 2HZ LYS 19 -17.961 3.302 -13.404 149 3HZ LYS 19 3HZ LYS 19 -16.472 4.049 -13.739 150 H ILE 20 H ILE 20 -23.724 6.370 -13.130 151 HA ILE 20 HA ILE 20 -24.723 8.875 -14.386 152 HB ILE 20 HB ILE 20 -26.696 8.304 -13.409 153 1HG1 ILE 20 2HG1 ILE 20 -25.472 8.899 -11.132 154 2HG1 ILE 20 1HG1 ILE 20 -27.072 8.223 -11.207 155 1HG2 ILE 20 1HG2 ILE 20 -25.906 6.149 -14.303 156 2HG2 ILE 20 2HG2 ILE 20 -27.070 5.990 -12.994 157 3HG2 ILE 20 3HG2 ILE 20 -25.357 5.723 -12.686 158 1HD1 ILE 20 1HD1 ILE 20 -25.678 7.003 -9.634 159 2HD1 ILE 20 2HD1 ILE 20 -24.542 6.635 -10.921 160 3HD1 ILE 20 3HD1 ILE 20 -26.170 5.972 -10.966 161 H THR 21 H THR 21 -22.408 7.893 -12.114 162 HA THR 21 HA THR 21 -20.970 9.272 -10.776 163 HB THR 21 HB THR 21 -22.944 11.515 -11.092 164 HG1 THR 21 HG1 THR 21 -22.228 11.891 -13.117 165 1HG2 THR 21 1HG2 THR 21 -21.236 12.732 -10.285 166 2HG2 THR 21 2HG2 THR 21 -20.153 12.115 -11.534 167 3HG2 THR 21 3HG2 THR 21 -20.354 11.227 -10.023 168 H LEU 22 H LEU 22 -24.027 8.303 -10.212 169 HA LEU 22 HA LEU 22 -25.425 8.058 -8.314 170 1HB LEU 22 2HB LEU 22 -23.619 6.752 -7.544 171 2HB LEU 22 1HB LEU 22 -22.583 8.157 -7.306 172 HG LEU 22 HG LEU 22 -23.838 8.862 -5.382 173 1HD1 LEU 22 1HD1 LEU 22 -25.747 6.793 -5.011 174 2HD1 LEU 22 2HD1 LEU 22 -25.936 7.360 -6.670 175 3HD1 LEU 22 3HD1 LEU 22 -26.063 8.498 -5.330 176 1HD2 LEU 22 1HD2 LEU 22 -23.008 6.011 -5.575 177 2HD2 LEU 22 2HD2 LEU 22 -23.970 6.453 -4.164 178 3HD2 LEU 22 3HD2 LEU 22 -22.443 7.276 -4.484 179 H LYS 23 H LYS 23 -24.540 10.910 -9.251 180 HA LYS 23 HA LYS 23 -24.792 12.479 -6.768 181 1HB LYS 23 2HB LYS 23 -23.367 13.327 -8.512 182 2HB LYS 23 1HB LYS 23 -24.602 13.062 -9.739 183 1HG LYS 23 2HG LYS 23 -25.994 14.729 -8.195 184 2HG LYS 23 1HG LYS 23 -24.379 15.250 -7.713 185 1HD LYS 23 2HD LYS 23 -24.047 15.132 -10.401 186 2HD LYS 23 1HD LYS 23 -25.760 15.545 -10.323 187 1HE LYS 23 2HE LYS 23 -24.357 17.154 -8.398 188 2HE LYS 23 1HE LYS 23 -23.550 17.303 -9.972 189 1HZ LYS 23 1HZ LYS 23 -25.393 18.837 -9.878 190 2HZ LYS 23 2HZ LYS 23 -26.462 17.589 -9.448 191 3HZ LYS 23 3HZ LYS 23 -25.750 17.608 -10.991 192 H GLY 24 H GLY 24 -26.882 12.407 -5.880 193 1HA GLY 24 2HA GLY 24 -29.242 12.504 -5.803 194 2HA GLY 24 1HA GLY 24 -29.115 13.581 -7.202 195 H HIS 25 H HIS 25 -28.654 10.126 -6.453 196 HA HIS 25 HA HIS 25 -30.061 9.465 -9.017 197 1HB HIS 25 2HB HIS 25 -27.637 9.369 -9.214 198 2HB HIS 25 1HB HIS 25 -27.529 8.385 -7.760 199 HD1 HIS 25 HD1 HIS 25 -29.338 8.129 -11.128 200 HD2 HIS 25 HD2 HIS 25 -27.182 5.765 -8.470 201 HE1 HIS 25 HE1 HIS 25 -28.966 5.882 -12.242 202 H LYS 26 H LYS 26 -28.652 6.901 -7.224 203 HA LYS 26 HA LYS 26 -29.673 5.026 -6.250 204 1HB LYS 26 2HB LYS 26 -29.427 6.821 -4.487 205 2HB LYS 26 1HB LYS 26 -31.115 7.241 -4.758 206 1HG LYS 26 2HG LYS 26 -31.238 5.728 -2.964 207 2HG LYS 26 1HG LYS 26 -31.562 4.701 -4.362 208 1HD LYS 26 2HD LYS 26 -29.794 3.425 -3.810 209 2HD LYS 26 1HD LYS 26 -28.738 4.818 -4.052 210 1HE LYS 26 2HE LYS 26 -30.275 4.569 -1.474 211 2HE LYS 26 1HE LYS 26 -28.767 3.660 -1.695 212 1HZ LYS 26 1HZ LYS 26 -28.469 5.964 -0.799 213 2HZ LYS 26 2HZ LYS 26 -29.029 6.556 -2.290 214 3HZ LYS 26 3HZ LYS 26 -27.600 5.640 -2.220 215 H ARG 27 H ARG 27 -32.599 6.962 -5.715 216 HA ARG 27 HA ARG 27 -34.372 5.012 -6.733 217 1HB ARG 27 2HB ARG 27 -35.033 6.894 -5.308 218 2HB ARG 27 1HB ARG 27 -34.603 8.038 -6.581 219 1HG ARG 27 2HG ARG 27 -36.341 7.164 -8.034 220 2HG ARG 27 1HG ARG 27 -36.705 5.875 -6.888 221 1HD ARG 27 2HD ARG 27 -38.372 7.463 -6.389 222 2HD ARG 27 1HD ARG 27 -37.111 7.878 -5.210 223 HE ARG 27 HE ARG 27 -36.301 9.432 -7.216 224 1HH1 ARG 27 1HH2 ARG 27 -38.739 9.195 -8.822 225 2HH1 ARG 27 2HH2 ARG 27 -39.742 10.472 -8.222 226 1HH2 ARG 27 1HH1 ARG 27 -37.924 10.883 -5.298 227 2HH2 ARG 27 2HH1 ARG 27 -39.282 11.427 -6.226 228 H TYR 28 H TYR 28 -32.336 7.260 -8.399 229 HA TYR 28 HA TYR 28 -33.845 7.146 -10.936 230 1HB TYR 28 2HB TYR 28 -31.303 8.409 -9.905 231 2HB TYR 28 1HB TYR 28 -31.686 8.429 -11.626 232 HD1 TYR 28 HD1 TYR 28 -34.595 8.385 -9.506 233 HD2 TYR 28 HD2 TYR 28 -31.667 10.977 -11.284 234 HE1 TYR 28 HE1 TYR 28 -36.103 10.325 -9.163 235 HE2 TYR 28 HE2 TYR 28 -33.174 12.916 -10.942 236 HH TYR 28 HH TYR 28 -35.059 13.538 -9.456 237 H CYS 29 H CYS 29 -31.802 5.057 -9.326 238 HA CYS 29 HA CYS 29 -29.967 4.238 -11.376 239 1HB CYS 29 2HB CYS 29 -30.063 3.744 -8.805 240 2HB CYS 29 1HB CYS 29 -31.130 2.430 -9.270 241 H LYS 30 H LYS 30 -30.096 2.568 -12.860 242 HA LYS 30 HA LYS 30 -32.841 1.617 -13.546 243 1HB LYS 30 2HB LYS 30 -30.362 2.236 -14.926 244 2HB LYS 30 1HB LYS 30 -30.851 0.580 -15.290 245 1HG LYS 30 2HG LYS 30 -33.224 1.642 -15.636 246 2HG LYS 30 1HG LYS 30 -32.319 3.143 -15.836 247 1HD LYS 30 2HD LYS 30 -31.713 2.553 -17.921 248 2HD LYS 30 1HD LYS 30 -31.039 1.034 -17.330 249 1HE LYS 30 2HE LYS 30 -33.754 0.548 -17.183 250 2HE LYS 30 1HE LYS 30 -33.618 1.528 -18.658 251 1HZ LYS 30 1HZ LYS 30 -33.141 -1.033 -18.726 252 2HZ LYS 30 2HZ LYS 30 -31.614 -0.558 -18.155 253 3HZ LYS 30 3HZ LYS 30 -32.196 0.044 -19.634 254 H PHE 31 H PHE 31 -30.680 0.862 -11.351 255 HA PHE 31 HA PHE 31 -31.073 -2.091 -11.472 256 1HB PHE 31 2HB PHE 31 -28.488 -0.574 -10.925 257 2HB PHE 31 1HB PHE 31 -28.630 -2.330 -11.050 258 HD1 PHE 31 HD1 PHE 31 -28.772 0.867 -12.882 259 HD2 PHE 31 HD2 PHE 31 -28.923 -3.409 -13.206 260 HE1 PHE 31 HE1 PHE 31 -28.543 1.052 -15.331 261 HE2 PHE 31 HE2 PHE 31 -28.704 -3.230 -15.659 262 HZ PHE 31 HZ PHE 31 -28.506 -0.999 -16.736 263 H ARG 32 H ARG 32 -31.690 0.647 -9.835 264 HA ARG 32 HA ARG 32 -30.673 0.562 -7.266 265 1HB ARG 32 2HB ARG 32 -33.298 1.144 -6.743 266 2HB ARG 32 1HB ARG 32 -32.125 2.304 -7.346 267 1HG ARG 32 2HG ARG 32 -34.315 2.230 -8.607 268 2HG ARG 32 1HG ARG 32 -32.882 2.018 -9.595 269 1HD ARG 32 2HD ARG 32 -33.372 -0.186 -10.080 270 2HD ARG 32 1HD ARG 32 -34.157 -0.451 -8.510 271 HE ARG 32 HE ARG 32 -35.740 1.456 -9.796 272 1HH1 ARG 32 1HH2 ARG 32 -34.791 -1.837 -10.104 273 2HH1 ARG 32 2HH2 ARG 32 -36.097 -2.255 -11.161 274 1HH2 ARG 32 1HH1 ARG 32 -37.375 0.965 -11.291 275 2HH2 ARG 32 2HH1 ARG 32 -37.562 -0.670 -11.830 276 H TYR 33 H TYR 33 -32.816 -1.716 -8.745 277 HA TYR 33 HA TYR 33 -33.001 -3.185 -6.130 278 1HB TYR 33 2HB TYR 33 -35.033 -2.874 -8.362 279 2HB TYR 33 1HB TYR 33 -35.253 -3.904 -6.947 280 HD1 TYR 33 HD1 TYR 33 -36.536 -1.084 -8.105 281 HD2 TYR 33 HD2 TYR 33 -34.098 -2.299 -4.784 282 HE1 TYR 33 HE1 TYR 33 -37.336 0.870 -6.805 283 HE2 TYR 33 HE2 TYR 33 -34.897 -0.345 -3.482 284 HH TYR 33 HH TYR 33 -37.065 2.070 -4.937 285 H CYS 34 H CYS 34 -31.726 -3.258 -9.213 286 HA CYS 34 HA CYS 34 -32.199 -5.746 -10.345 287 1HB CYS 34 2HB CYS 34 -30.570 -3.953 -11.098 288 2HB CYS 34 1HB CYS 34 -29.472 -4.527 -9.840 289 H THR 35 H THR 35 -30.760 -7.763 -10.136 290 HA THR 35 HA THR 35 -29.748 -8.220 -7.375 291 HB THR 35 HB THR 35 -31.127 -10.382 -7.425 292 HG1 THR 35 HG1 THR 35 -32.388 -10.689 -9.069 293 1HG2 THR 35 1HG2 THR 35 -31.724 -7.842 -6.534 294 2HG2 THR 35 2HG2 THR 35 -32.659 -9.292 -6.164 295 3HG2 THR 35 3HG2 THR 35 -33.142 -8.248 -7.501 296 H CYS 36 H CYS 36 -28.958 -8.265 -10.498 297 HA CYS 36 HA CYS 36 -28.099 -10.861 -11.186 298 1HB CYS 36 2HB CYS 36 -26.618 -9.709 -12.704 299 2HB CYS 36 1HB CYS 36 -28.094 -8.756 -12.565 300 H GLU 37 H GLU 37 -25.419 -11.140 -11.343 301 HA GLU 37 HA GLU 37 -24.608 -11.453 -8.524 302 1HB GLU 37 2HB GLU 37 -24.337 -12.911 -10.817 303 2HB GLU 37 1HB GLU 37 -22.757 -12.135 -10.729 304 1HG GLU 37 2HG GLU 37 -22.226 -13.139 -8.691 305 2HG GLU 37 1HG GLU 37 -23.916 -13.407 -8.268 306 H LYS 38 H LYS 38 -24.317 -8.924 -10.667 307 HA LYS 38 HA LYS 38 -21.589 -8.126 -9.726 308 1HB LYS 38 2HB LYS 38 -23.434 -7.086 -11.913 309 2HB LYS 38 1HB LYS 38 -21.811 -6.474 -11.592 310 1HG LYS 38 2HG LYS 38 -21.188 -9.058 -11.814 311 2HG LYS 38 1HG LYS 38 -22.653 -9.078 -12.795 312 1HD LYS 38 2HD LYS 38 -21.576 -6.933 -13.897 313 2HD LYS 38 1HD LYS 38 -20.077 -7.618 -13.270 314 1HE LYS 38 2HE LYS 38 -20.044 -8.915 -15.139 315 2HE LYS 38 1HE LYS 38 -21.408 -9.802 -14.428 316 1HZ LYS 38 1HZ LYS 38 -22.946 -8.532 -15.550 317 2HZ LYS 38 2HZ LYS 38 -21.709 -8.631 -16.711 318 3HZ LYS 38 3HZ LYS 38 -21.886 -7.227 -15.770 319 H CYS 39 H CYS 39 -24.953 -7.536 -9.431 320 HA CYS 39 HA CYS 39 -24.689 -4.862 -8.221 321 1HB CYS 39 2HB CYS 39 -26.801 -6.766 -9.134 322 2HB CYS 39 1HB CYS 39 -27.242 -5.709 -7.808 323 H ARG 40 H ARG 40 -25.256 -8.258 -7.405 324 HA ARG 40 HA ARG 40 -25.638 -7.816 -4.545 325 1HB ARG 40 2HB ARG 40 -25.518 -10.018 -6.515 326 2HB ARG 40 1HB ARG 40 -24.901 -10.451 -4.920 327 1HG ARG 40 2HG ARG 40 -26.956 -9.974 -3.863 328 2HG ARG 40 1HG ARG 40 -27.537 -9.021 -5.229 329 1HD ARG 40 2HD ARG 40 -28.641 -11.240 -5.183 330 2HD ARG 40 1HD ARG 40 -27.603 -11.099 -6.615 331 HE ARG 40 HE ARG 40 -26.058 -12.120 -4.427 332 1HH1 ARG 40 1HH2 ARG 40 -29.018 -13.348 -5.190 333 2HH1 ARG 40 2HH2 ARG 40 -28.460 -14.864 -5.814 334 1HH2 ARG 40 1HH1 ARG 40 -25.123 -13.921 -5.858 335 2HH2 ARG 40 2HH1 ARG 40 -26.254 -15.190 -6.189 336 H LEU 41 H LEU 41 -23.024 -8.686 -6.730 337 HA LEU 41 HA LEU 41 -21.010 -9.221 -4.739 338 1HB LEU 41 2HB LEU 41 -20.433 -10.034 -6.829 339 2HB LEU 41 1HB LEU 41 -21.235 -8.711 -7.665 340 HG LEU 41 HG LEU 41 -19.405 -7.210 -7.195 341 1HD1 LEU 41 1HD1 LEU 41 -18.994 -8.758 -4.960 342 2HD1 LEU 41 2HD1 LEU 41 -17.864 -7.540 -5.553 343 3HD1 LEU 41 3HD1 LEU 41 -17.640 -9.236 -5.983 344 1HD2 LEU 41 1HD2 LEU 41 -19.248 -9.065 -9.028 345 2HD2 LEU 41 2HD2 LEU 41 -18.030 -9.776 -7.969 346 3HD2 LEU 41 3HD2 LEU 41 -17.793 -8.154 -8.620 347 H THR 42 H THR 42 -22.343 -6.352 -6.176 348 HA THR 42 HA THR 42 -20.206 -4.556 -5.274 349 HB THR 42 HB THR 42 -22.928 -4.299 -6.542 350 HG1 THR 42 HG1 THR 42 -20.241 -3.979 -7.331 351 1HG2 THR 42 1HG2 THR 42 -23.055 -2.154 -5.886 352 2HG2 THR 42 2HG2 THR 42 -21.516 -1.839 -6.686 353 3HG2 THR 42 3HG2 THR 42 -21.545 -2.322 -4.991 354 H ALA 43 H ALA 43 -23.692 -4.455 -4.648 355 HA ALA 43 HA ALA 43 -23.771 -2.924 -2.340 356 1HB ALA 43 1HB ALA 43 -25.932 -3.669 -2.328 357 2HB ALA 43 2HB ALA 43 -25.432 -5.357 -2.206 358 3HB ALA 43 3HB ALA 43 -25.479 -4.562 -3.780 359 H ASP 44 H ASP 44 -22.657 -6.218 -2.727 360 HA ASP 44 HA ASP 44 -22.489 -6.853 0.113 361 1HB ASP 44 2HB ASP 44 -22.758 -8.515 -1.701 362 2HB ASP 44 1HB ASP 44 -21.205 -8.026 -2.380 363 H ARG 45 H ARG 45 -20.211 -5.822 -2.431 364 HA ARG 45 HA ARG 45 -17.777 -5.920 -1.040 365 1HB ARG 45 2HB ARG 45 -18.596 -5.144 -3.470 366 2HB ARG 45 1HB ARG 45 -18.420 -3.546 -2.743 367 1HG ARG 45 2HG ARG 45 -16.132 -3.762 -2.483 368 2HG ARG 45 1HG ARG 45 -16.208 -5.519 -2.344 369 1HD ARG 45 2HD ARG 45 -16.645 -5.727 -4.750 370 2HD ARG 45 1HD ARG 45 -16.665 -3.959 -4.916 371 HE ARG 45 HE ARG 45 -14.267 -4.134 -3.888 372 1HH1 ARG 45 1HH2 ARG 45 -14.614 -4.651 -6.893 373 2HH1 ARG 45 2HH2 ARG 45 -13.655 -6.081 -7.088 374 1HH2 ARG 45 1HH1 ARG 45 -13.526 -6.777 -3.693 375 2HH2 ARG 45 2HH1 ARG 45 -13.038 -7.283 -5.277 376 H GLN 46 H GLN 46 -20.390 -3.545 -0.784 377 HA GLN 46 HA GLN 46 -18.772 -1.929 1.133 378 1HB GLN 46 2HB GLN 46 -21.213 -1.546 -0.575 379 2HB GLN 46 1HB GLN 46 -20.974 -0.495 0.821 380 1HG GLN 46 2HG GLN 46 -18.489 -0.403 -0.250 381 2HG GLN 46 1HG GLN 46 -19.438 -0.650 -1.716 382 1HE2 GLN 46 1HE2 GLN 46 -18.801 1.646 -2.270 383 2HE2 GLN 46 2HE2 GLN 46 -19.675 2.927 -1.581 384 H ARG 47 H ARG 47 -21.622 -4.001 0.932 385 HA ARG 47 HA ARG 47 -22.665 -3.322 3.563 386 1HB ARG 47 2HB ARG 47 -23.094 -5.475 1.494 387 2HB ARG 47 1HB ARG 47 -23.903 -5.559 3.059 388 1HG ARG 47 2HG ARG 47 -24.942 -3.393 2.696 389 2HG ARG 47 1HG ARG 47 -24.038 -3.171 1.198 390 1HD ARG 47 2HD ARG 47 -25.178 -5.128 0.206 391 2HD ARG 47 1HD ARG 47 -26.091 -5.354 1.713 392 HE ARG 47 HE ARG 47 -26.612 -3.303 -0.278 393 1HH1 ARG 47 1HH2 ARG 47 -27.696 -4.716 2.537 394 2HH1 ARG 47 2HH2 ARG 47 -28.462 -3.300 3.177 395 1HH2 ARG 47 1HH1 ARG 47 -27.149 -1.181 0.767 396 2HH2 ARG 47 2HH1 ARG 47 -28.153 -1.298 2.173 397 H VAL 48 H VAL 48 -20.617 -3.579 4.822 398 HA VAL 48 HA VAL 48 -20.121 -6.458 5.498 399 HB VAL 48 HB VAL 48 -17.728 -5.841 5.704 400 1HG1 VAL 48 1HG1 VAL 48 -17.546 -6.415 3.537 401 2HG1 VAL 48 2HG1 VAL 48 -18.039 -4.796 3.043 402 3HG1 VAL 48 3HG1 VAL 48 -19.257 -6.041 3.322 403 1HG2 VAL 48 1HG2 VAL 48 -17.723 -3.372 4.278 404 2HG2 VAL 48 2HG2 VAL 48 -17.163 -3.672 5.923 405 3HG2 VAL 48 3HG2 VAL 48 -18.836 -3.194 5.634 406 H MET 49 H MET 49 -21.908 -5.349 7.086 407 HA MET 49 HA MET 49 -20.439 -4.149 9.407 408 1HB MET 49 2HB MET 49 -22.850 -3.522 7.995 409 2HB MET 49 1HB MET 49 -23.288 -3.990 9.639 410 1HG MET 49 2HG MET 49 -22.766 -1.839 10.158 411 2HG MET 49 1HG MET 49 -21.097 -2.408 10.093 412 1HE MET 49 1HE MET 49 -19.915 -2.019 6.746 413 2HE MET 49 2HE MET 49 -19.755 -2.567 8.413 414 3HE MET 49 3HE MET 49 -19.307 -0.917 7.990 415 H ALA 50 H ALA 50 -20.996 -7.107 8.521 416 HA ALA 50 HA ALA 50 -22.665 -8.123 10.723 417 1HB ALA 50 1HB ALA 50 -21.699 -10.320 9.635 418 2HB ALA 50 2HB ALA 50 -21.140 -9.220 8.374 419 3HB ALA 50 3HB ALA 50 -22.862 -9.346 8.735 420 H LEU 51 H LEU 51 -21.664 -9.969 12.079 421 HA LEU 51 HA LEU 51 -19.170 -8.969 13.305 422 1HB LEU 51 2HB LEU 51 -21.524 -10.068 14.208 423 2HB LEU 51 1HB LEU 51 -20.430 -11.449 14.285 424 HG LEU 51 HG LEU 51 -18.825 -9.543 15.337 425 1HD1 LEU 51 1HD1 LEU 51 -21.630 -8.595 15.588 426 2HD1 LEU 51 2HD1 LEU 51 -20.126 -7.674 15.589 427 3HD1 LEU 51 3HD1 LEU 51 -20.650 -8.509 17.052 428 1HD2 LEU 51 1HD2 LEU 51 -18.958 -10.912 17.138 429 2HD2 LEU 51 2HD2 LEU 51 -20.158 -11.816 16.216 430 3HD2 LEU 51 3HD2 LEU 51 -20.675 -10.578 17.361 431 H GLN 52 H GLN 52 -17.221 -9.767 12.642 432 HA GLN 52 HA GLN 52 -17.124 -12.328 11.135 433 1HB GLN 52 2HB GLN 52 -15.919 -9.818 10.923 434 2HB GLN 52 1HB GLN 52 -14.632 -10.856 11.535 435 1HG GLN 52 2HG GLN 52 -14.345 -11.539 9.402 436 2HG GLN 52 1HG GLN 52 -15.863 -12.419 9.591 437 1HE2 GLN 52 1HE2 GLN 52 -17.810 -10.502 9.513 438 2HE2 GLN 52 2HE2 GLN 52 -17.736 -9.605 8.075 Start of MODEL 5 1 1H SER 1 1H SER 1 -28.932 17.761 -20.747 2 2H SER 1 2H SER 1 -28.135 16.289 -21.036 3 3H SER 1 3H SER 1 -27.272 17.751 -21.095 4 HA SER 1 HA SER 1 -28.260 17.877 -18.606 5 1HB SER 1 2HB SER 1 -29.265 15.805 -18.426 6 2HB SER 1 1HB SER 1 -28.199 15.072 -19.621 7 HG SER 1 HG SER 1 -27.882 14.457 -17.341 8 H ILE 2 H ILE 2 -25.815 16.312 -20.643 9 HA ILE 2 HA ILE 2 -23.455 16.372 -20.514 10 HB ILE 2 HB ILE 2 -24.013 18.683 -18.630 11 1HG1 ILE 2 2HG1 ILE 2 -23.850 18.746 -21.658 12 2HG1 ILE 2 1HG1 ILE 2 -25.365 18.782 -20.756 13 1HG2 ILE 2 1HG2 ILE 2 -21.647 17.563 -19.861 14 2HG2 ILE 2 2HG2 ILE 2 -21.771 18.881 -18.695 15 3HG2 ILE 2 3HG2 ILE 2 -21.901 19.216 -20.423 16 1HD1 ILE 2 1HD1 ILE 2 -23.445 20.734 -19.745 17 2HD1 ILE 2 2HD1 ILE 2 -25.119 20.968 -20.248 18 3HD1 ILE 2 3HD1 ILE 2 -23.825 20.998 -21.446 19 H SER 3 H SER 3 -21.670 15.896 -18.987 20 HA SER 3 HA SER 3 -22.472 15.285 -16.191 21 1HB SER 3 2HB SER 3 -21.725 12.948 -16.470 22 2HB SER 3 1HB SER 3 -23.034 13.318 -17.589 23 HG SER 3 HG SER 3 -20.360 12.780 -18.062 24 HA PRO 4 HA PRO 4 -18.311 16.797 -15.816 25 1HB PRO 4 2HB PRO 4 -18.133 16.557 -13.096 26 2HB PRO 4 1HB PRO 4 -19.022 17.869 -13.893 27 1HG PRO 4 2HG PRO 4 -20.048 15.385 -12.627 28 2HG PRO 4 1HG PRO 4 -20.740 17.013 -12.646 29 1HD PRO 4 2HD PRO 4 -21.605 14.959 -14.239 30 2HD PRO 4 1HD PRO 4 -21.794 16.679 -14.640 31 H ARG 5 H ARG 5 -16.212 15.910 -14.968 32 HA ARG 5 HA ARG 5 -16.095 12.992 -15.335 33 1HB ARG 5 2HB ARG 5 -13.638 13.477 -15.210 34 2HB ARG 5 1HB ARG 5 -14.470 14.490 -16.391 35 1HG ARG 5 2HG ARG 5 -13.890 16.362 -15.284 36 2HG ARG 5 1HG ARG 5 -14.548 15.728 -13.775 37 1HD ARG 5 2HD ARG 5 -12.260 15.977 -13.259 38 2HD ARG 5 1HD ARG 5 -12.340 14.275 -13.762 39 HE ARG 5 HE ARG 5 -11.657 16.442 -15.713 40 1HH1 ARG 5 1HH2 ARG 5 -11.950 13.726 -16.814 41 2HH1 ARG 5 2HH2 ARG 5 -10.337 13.101 -16.746 42 1HH2 ARG 5 1HH1 ARG 5 -9.219 15.493 -14.501 43 2HH2 ARG 5 2HH1 ARG 5 -8.793 14.099 -15.436 44 H THR 6 H THR 6 -17.457 12.855 -13.179 45 HA THR 6 HA THR 6 -15.706 13.080 -10.775 46 HB THR 6 HB THR 6 -18.263 12.297 -10.004 47 HG1 THR 6 HG1 THR 6 -19.441 13.968 -11.310 48 1HG2 THR 6 1HG2 THR 6 -18.149 15.152 -10.203 49 2HG2 THR 6 2HG2 THR 6 -16.538 14.551 -9.805 50 3HG2 THR 6 3HG2 THR 6 -17.910 14.142 -8.776 51 HA PRO 7 HA PRO 7 -15.165 8.703 -10.938 52 1HB PRO 7 2HB PRO 7 -13.982 8.410 -8.490 53 2HB PRO 7 1HB PRO 7 -13.141 9.038 -9.919 54 1HG PRO 7 2HG PRO 7 -14.235 10.487 -7.582 55 2HG PRO 7 1HG PRO 7 -12.812 10.839 -8.568 56 1HD PRO 7 2HD PRO 7 -15.235 12.152 -8.776 57 2HD PRO 7 1HD PRO 7 -13.995 12.094 -10.045 58 HA PRO 8 HA PRO 8 -17.813 7.784 -7.034 59 1HB PRO 8 2HB PRO 8 -19.537 9.751 -6.235 60 2HB PRO 8 1HB PRO 8 -17.911 9.547 -5.554 61 1HG PRO 8 2HG PRO 8 -18.890 11.492 -7.568 62 2HG PRO 8 1HG PRO 8 -17.684 11.696 -6.289 63 1HD PRO 8 2HD PRO 8 -17.085 11.321 -8.931 64 2HD PRO 8 1HD PRO 8 -15.990 10.930 -7.594 65 H ASN 9 H ASN 9 -18.771 6.547 -8.755 66 HA ASN 9 HA ASN 9 -21.339 7.653 -9.888 67 1HB ASN 9 2HB ASN 9 -20.925 6.197 -11.753 68 2HB ASN 9 1HB ASN 9 -19.394 7.010 -11.420 69 1HD2 ASN 9 1HD2 ASN 9 -17.761 5.736 -10.126 70 2HD2 ASN 9 2HD2 ASN 9 -17.789 4.041 -10.208 71 H CYS 10 H CYS 10 -23.074 6.026 -10.039 72 HA CYS 10 HA CYS 10 -23.375 4.483 -7.605 73 1HB CYS 10 2HB CYS 10 -25.250 5.544 -8.818 74 2HB CYS 10 1HB CYS 10 -24.905 4.576 -10.216 75 H ALA 11 H ALA 11 -22.680 2.358 -7.293 76 HA ALA 11 HA ALA 11 -21.463 0.973 -9.553 77 1HB ALA 11 1HB ALA 11 -21.636 0.684 -6.608 78 2HB ALA 11 2HB ALA 11 -20.233 0.545 -7.668 79 3HB ALA 11 3HB ALA 11 -21.362 -0.802 -7.516 80 H ARG 12 H ARG 12 -24.513 0.914 -7.929 81 HA ARG 12 HA ARG 12 -25.420 -1.732 -8.493 82 1HB ARG 12 2HB ARG 12 -26.476 0.111 -7.116 83 2HB ARG 12 1HB ARG 12 -26.921 0.901 -8.621 84 1HG ARG 12 2HG ARG 12 -28.807 -0.313 -8.528 85 2HG ARG 12 1HG ARG 12 -27.801 -1.679 -9.015 86 1HD ARG 12 2HD ARG 12 -29.096 -2.245 -6.979 87 2HD ARG 12 1HD ARG 12 -27.364 -2.169 -6.595 88 HE ARG 12 HE ARG 12 -29.191 0.162 -6.143 89 1HH1 ARG 12 1HH2 ARG 12 -28.600 -1.909 -3.945 90 2HH1 ARG 12 2HH2 ARG 12 -27.355 -1.088 -3.063 91 1HH2 ARG 12 1HH1 ARG 12 -26.727 1.217 -5.578 92 2HH2 ARG 12 2HH1 ARG 12 -26.294 0.682 -3.988 93 H CYS 13 H CYS 13 -25.654 1.239 -10.385 94 HA CYS 13 HA CYS 13 -26.754 -0.237 -12.649 95 1HB CYS 13 2HB CYS 13 -26.846 2.077 -13.627 96 2HB CYS 13 1HB CYS 13 -27.564 1.977 -12.038 97 H ARG 14 H ARG 14 -23.437 0.751 -11.764 98 HA ARG 14 HA ARG 14 -22.443 0.764 -14.498 99 1HB ARG 14 2HB ARG 14 -20.236 0.267 -13.373 100 2HB ARG 14 1HB ARG 14 -21.084 1.659 -12.704 101 1HG ARG 14 2HG ARG 14 -20.307 0.358 -10.844 102 2HG ARG 14 1HG ARG 14 -22.035 0.121 -10.965 103 1HD ARG 14 2HD ARG 14 -21.776 -2.104 -11.173 104 2HD ARG 14 1HD ARG 14 -20.649 -1.884 -12.527 105 HE ARG 14 HE ARG 14 -19.204 -1.125 -10.258 106 1HH1 ARG 14 1HH2 ARG 14 -20.909 -3.291 -8.977 107 2HH1 ARG 14 2HH2 ARG 14 -19.901 -4.684 -9.183 108 1HH2 ARG 14 1HH1 ARG 14 -17.881 -3.193 -11.577 109 2HH2 ARG 14 2HH1 ARG 14 -18.188 -4.629 -10.658 110 H ASN 15 H ASN 15 -23.282 -1.732 -12.260 111 HA ASN 15 HA ASN 15 -21.856 -3.967 -13.012 112 1HB ASN 15 2HB ASN 15 -24.763 -3.473 -12.377 113 2HB ASN 15 1HB ASN 15 -24.115 -5.102 -12.508 114 1HD2 ASN 15 1HD2 ASN 15 -24.876 -2.878 -10.265 115 2HD2 ASN 15 2HD2 ASN 15 -23.656 -3.126 -9.116 116 H HIS 16 H HIS 16 -24.487 -2.406 -14.676 117 HA HIS 16 HA HIS 16 -24.420 -4.400 -16.875 118 1HB HIS 16 2HB HIS 16 -26.282 -2.154 -16.064 119 2HB HIS 16 1HB HIS 16 -26.589 -3.292 -17.358 120 HD1 HIS 16 HD1 HIS 16 -27.306 -5.661 -16.769 121 HD2 HIS 16 HD2 HIS 16 -26.166 -3.382 -13.471 122 HE1 HIS 16 HE1 HIS 16 -27.844 -7.056 -14.710 123 H GLY 17 H GLY 17 -23.203 -1.280 -16.135 124 1HA GLY 17 2HA GLY 17 -21.565 -0.424 -17.844 125 2HA GLY 17 1HA GLY 17 -22.792 -0.781 -19.062 126 H LEU 18 H LEU 18 -23.596 0.555 -15.949 127 HA LEU 18 HA LEU 18 -24.572 3.018 -17.318 128 1HB LEU 18 2HB LEU 18 -25.750 1.185 -15.655 129 2HB LEU 18 1HB LEU 18 -25.262 2.430 -14.505 130 HG LEU 18 HG LEU 18 -27.509 2.913 -15.297 131 1HD1 LEU 18 1HD1 LEU 18 -25.476 4.673 -15.213 132 2HD1 LEU 18 2HD1 LEU 18 -27.130 5.141 -15.608 133 3HD1 LEU 18 3HD1 LEU 18 -25.958 4.867 -16.898 134 1HD2 LEU 18 1HD2 LEU 18 -27.778 1.875 -17.367 135 2HD2 LEU 18 2HD2 LEU 18 -26.218 2.438 -17.967 136 3HD2 LEU 18 3HD2 LEU 18 -27.578 3.556 -17.864 137 H LYS 19 H LYS 19 -24.068 5.071 -16.385 138 HA LYS 19 HA LYS 19 -22.134 5.233 -14.160 139 1HB LYS 19 2HB LYS 19 -21.591 5.742 -17.062 140 2HB LYS 19 1HB LYS 19 -20.833 6.816 -15.886 141 1HG LYS 19 2HG LYS 19 -20.675 3.796 -15.718 142 2HG LYS 19 1HG LYS 19 -19.448 4.787 -16.506 143 1HD LYS 19 2HD LYS 19 -20.200 5.702 -13.803 144 2HD LYS 19 1HD LYS 19 -19.416 4.122 -13.848 145 1HE LYS 19 2HE LYS 19 -17.402 5.076 -14.259 146 2HE LYS 19 1HE LYS 19 -18.067 5.985 -15.632 147 1HZ LYS 19 1HZ LYS 19 -17.646 7.693 -14.193 148 2HZ LYS 19 2HZ LYS 19 -17.903 6.749 -12.804 149 3HZ LYS 19 3HZ LYS 19 -19.226 7.307 -13.711 150 H ILE 20 H ILE 20 -23.815 6.359 -13.117 151 HA ILE 20 HA ILE 20 -24.830 8.848 -14.390 152 HB ILE 20 HB ILE 20 -26.780 8.317 -13.333 153 1HG1 ILE 20 2HG1 ILE 20 -25.485 8.858 -11.091 154 2HG1 ILE 20 1HG1 ILE 20 -27.079 8.161 -11.118 155 1HG2 ILE 20 1HG2 ILE 20 -27.161 5.997 -12.950 156 2HG2 ILE 20 2HG2 ILE 20 -25.439 5.711 -12.714 157 3HG2 ILE 20 3HG2 ILE 20 -26.045 6.173 -14.299 158 1HD1 ILE 20 1HD1 ILE 20 -25.589 6.931 -9.633 159 2HD1 ILE 20 2HD1 ILE 20 -24.526 6.592 -10.988 160 3HD1 ILE 20 3HD1 ILE 20 -26.152 5.922 -10.954 161 H THR 21 H THR 21 -22.441 7.923 -12.194 162 HA THR 21 HA THR 21 -21.005 9.326 -10.874 163 HB THR 21 HB THR 21 -23.027 11.528 -11.162 164 HG1 THR 21 HG1 THR 21 -21.615 11.907 -13.164 165 1HG2 THR 21 1HG2 THR 21 -20.805 11.647 -9.845 166 2HG2 THR 21 2HG2 THR 21 -21.157 12.953 -10.977 167 3HG2 THR 21 3HG2 THR 21 -20.028 11.675 -11.428 168 H LEU 22 H LEU 22 -23.978 8.239 -10.245 169 HA LEU 22 HA LEU 22 -25.375 8.010 -8.340 170 1HB LEU 22 2HB LEU 22 -23.478 6.739 -7.658 171 2HB LEU 22 1HB LEU 22 -22.537 8.189 -7.315 172 HG LEU 22 HG LEU 22 -23.840 8.694 -5.379 173 1HD1 LEU 22 1HD1 LEU 22 -26.072 8.349 -5.570 174 2HD1 LEU 22 2HD1 LEU 22 -25.743 6.686 -5.085 175 3HD1 LEU 22 3HD1 LEU 22 -25.847 7.100 -6.795 176 1HD2 LEU 22 1HD2 LEU 22 -23.961 6.218 -4.325 177 2HD2 LEU 22 2HD2 LEU 22 -22.434 7.064 -4.572 178 3HD2 LEU 22 3HD2 LEU 22 -22.979 5.867 -5.748 179 H LYS 23 H LYS 23 -24.603 10.882 -9.275 180 HA LYS 23 HA LYS 23 -24.671 12.456 -6.809 181 1HB LYS 23 2HB LYS 23 -24.678 12.879 -9.769 182 2HB LYS 23 1HB LYS 23 -25.297 14.195 -8.772 183 1HG LYS 23 2HG LYS 23 -22.783 13.006 -7.787 184 2HG LYS 23 1HG LYS 23 -22.646 13.814 -9.351 185 1HD LYS 23 2HD LYS 23 -22.843 15.854 -8.411 186 2HD LYS 23 1HD LYS 23 -24.258 15.361 -7.481 187 1HE LYS 23 2HE LYS 23 -22.925 14.527 -5.690 188 2HE LYS 23 1HE LYS 23 -21.451 14.547 -6.679 189 1HZ LYS 23 1HZ LYS 23 -21.494 16.894 -6.785 190 2HZ LYS 23 2HZ LYS 23 -21.734 16.503 -5.150 191 3HZ LYS 23 3HZ LYS 23 -23.049 16.980 -6.113 192 H GLY 24 H GLY 24 -26.605 12.342 -5.617 193 1HA GLY 24 2HA GLY 24 -28.937 12.232 -5.213 194 2HA GLY 24 1HA GLY 24 -29.047 13.406 -6.535 195 H HIS 25 H HIS 25 -28.167 9.968 -6.270 196 HA HIS 25 HA HIS 25 -29.913 9.410 -8.644 197 1HB HIS 25 2HB HIS 25 -27.518 9.297 -9.026 198 2HB HIS 25 1HB HIS 25 -27.303 8.266 -7.619 199 HD1 HIS 25 HD1 HIS 25 -29.333 8.127 -10.868 200 HD2 HIS 25 HD2 HIS 25 -27.045 5.658 -8.423 201 HE1 HIS 25 HE1 HIS 25 -29.029 5.921 -12.082 202 H LYS 26 H LYS 26 -28.441 6.732 -7.095 203 HA LYS 26 HA LYS 26 -29.382 4.858 -6.069 204 1HB LYS 26 2HB LYS 26 -29.361 7.026 -4.424 205 2HB LYS 26 1HB LYS 26 -31.070 6.606 -4.361 206 1HG LYS 26 2HG LYS 26 -30.441 4.256 -3.818 207 2HG LYS 26 1HG LYS 26 -28.749 4.753 -3.771 208 1HD LYS 26 2HD LYS 26 -30.680 6.332 -2.135 209 2HD LYS 26 1HD LYS 26 -30.270 4.715 -1.564 210 1HE LYS 26 2HE LYS 26 -27.785 5.580 -2.146 211 2HE LYS 26 1HE LYS 26 -28.545 7.136 -1.761 212 1HZ LYS 26 1HZ LYS 26 -28.868 4.715 -0.078 213 2HZ LYS 26 2HZ LYS 26 -29.300 6.313 0.307 214 3HZ LYS 26 3HZ LYS 26 -27.662 5.874 0.205 215 H ARG 27 H ARG 27 -32.282 6.903 -5.602 216 HA ARG 27 HA ARG 27 -34.069 4.862 -6.517 217 1HB ARG 27 2HB ARG 27 -34.783 6.638 -5.038 218 2HB ARG 27 1HB ARG 27 -34.286 7.872 -6.197 219 1HG ARG 27 2HG ARG 27 -36.132 7.563 -7.528 220 2HG ARG 27 1HG ARG 27 -36.238 5.841 -7.159 221 1HD ARG 27 2HD ARG 27 -36.767 7.791 -4.940 222 2HD ARG 27 1HD ARG 27 -38.032 7.520 -6.156 223 HE ARG 27 HE ARG 27 -37.149 5.577 -4.179 224 1HH1 ARG 27 1HH2 ARG 27 -39.813 6.016 -5.802 225 2HH1 ARG 27 2HH2 ARG 27 -39.916 4.479 -6.595 226 1HH2 ARG 27 1HH1 ARG 27 -36.644 3.589 -5.870 227 2HH2 ARG 27 2HH1 ARG 27 -38.123 3.105 -6.630 228 H TYR 28 H TYR 28 -32.148 7.220 -8.173 229 HA TYR 28 HA TYR 28 -33.709 7.116 -10.678 230 1HB TYR 28 2HB TYR 28 -31.115 8.395 -9.764 231 2HB TYR 28 1HB TYR 28 -31.738 8.563 -11.408 232 HD1 TYR 28 HD1 TYR 28 -31.700 10.057 -8.235 233 HD2 TYR 28 HD2 TYR 28 -34.348 9.201 -11.507 234 HE1 TYR 28 HE1 TYR 28 -33.211 11.878 -7.490 235 HE2 TYR 28 HE2 TYR 28 -35.858 11.022 -10.761 236 HH TYR 28 HH TYR 28 -35.412 13.296 -9.298 237 H CYS 29 H CYS 29 -31.888 4.875 -9.235 238 HA CYS 29 HA CYS 29 -29.909 4.219 -11.252 239 1HB CYS 29 2HB CYS 29 -30.086 3.606 -8.710 240 2HB CYS 29 1HB CYS 29 -31.123 2.305 -9.274 241 H LYS 30 H LYS 30 -29.983 2.578 -12.784 242 HA LYS 30 HA LYS 30 -32.712 1.678 -13.610 243 1HB LYS 30 2HB LYS 30 -30.089 2.227 -14.854 244 2HB LYS 30 1HB LYS 30 -30.842 0.744 -15.439 245 1HG LYS 30 2HG LYS 30 -32.984 2.419 -15.461 246 2HG LYS 30 1HG LYS 30 -31.684 3.559 -15.807 247 1HD LYS 30 2HD LYS 30 -31.298 2.681 -17.867 248 2HD LYS 30 1HD LYS 30 -31.494 1.023 -17.298 249 1HE LYS 30 2HE LYS 30 -33.292 1.739 -18.920 250 2HE LYS 30 1HE LYS 30 -33.938 1.266 -17.336 251 1HZ LYS 30 1HZ LYS 30 -33.085 4.043 -17.726 252 2HZ LYS 30 2HZ LYS 30 -34.310 3.420 -16.728 253 3HZ LYS 30 3HZ LYS 30 -34.566 3.568 -18.401 254 H PHE 31 H PHE 31 -30.510 0.812 -11.452 255 HA PHE 31 HA PHE 31 -30.942 -2.125 -11.699 256 1HB PHE 31 2HB PHE 31 -28.329 -0.636 -11.201 257 2HB PHE 31 1HB PHE 31 -28.481 -2.394 -11.323 258 HD1 PHE 31 HD1 PHE 31 -28.665 0.803 -13.154 259 HD2 PHE 31 HD2 PHE 31 -28.906 -3.469 -13.452 260 HE1 PHE 31 HE1 PHE 31 -28.567 0.977 -15.612 261 HE2 PHE 31 HE2 PHE 31 -28.803 -3.304 -15.913 262 HZ PHE 31 HZ PHE 31 -28.630 -1.079 -17.009 263 H ARG 32 H ARG 32 -31.563 0.495 -9.971 264 HA ARG 32 HA ARG 32 -30.550 0.345 -7.392 265 1HB ARG 32 2HB ARG 32 -33.121 0.999 -6.867 266 2HB ARG 32 1HB ARG 32 -31.970 2.123 -7.573 267 1HG ARG 32 2HG ARG 32 -34.245 1.954 -8.727 268 2HG ARG 32 1HG ARG 32 -32.836 1.790 -9.758 269 1HD ARG 32 2HD ARG 32 -33.201 -0.482 -10.134 270 2HD ARG 32 1HD ARG 32 -34.063 -0.688 -8.598 271 HE ARG 32 HE ARG 32 -35.872 0.796 -9.674 272 1HH1 ARG 32 1HH2 ARG 32 -34.821 -2.093 -10.838 273 2HH1 ARG 32 2HH2 ARG 32 -35.365 -1.875 -12.468 274 1HH2 ARG 32 1HH1 ARG 32 -36.090 1.492 -12.056 275 2HH2 ARG 32 2HH1 ARG 32 -36.082 0.155 -13.157 276 H TYR 33 H TYR 33 -32.623 -1.926 -8.968 277 HA TYR 33 HA TYR 33 -32.896 -3.425 -6.381 278 1HB TYR 33 2HB TYR 33 -34.916 -2.930 -8.586 279 2HB TYR 33 1HB TYR 33 -35.169 -4.074 -7.267 280 HD1 TYR 33 HD1 TYR 33 -36.294 -1.077 -8.206 281 HD2 TYR 33 HD2 TYR 33 -34.060 -2.751 -4.943 282 HE1 TYR 33 HE1 TYR 33 -37.043 0.779 -6.742 283 HE2 TYR 33 HE2 TYR 33 -34.807 -0.895 -3.477 284 HH TYR 33 HH TYR 33 -37.134 0.780 -3.682 285 H CYS 34 H CYS 34 -31.645 -3.474 -9.482 286 HA CYS 34 HA CYS 34 -32.209 -5.941 -10.636 287 1HB CYS 34 2HB CYS 34 -30.585 -4.203 -11.452 288 2HB CYS 34 1HB CYS 34 -29.480 -4.711 -10.172 289 H THR 35 H THR 35 -30.774 -7.992 -10.452 290 HA THR 35 HA THR 35 -29.881 -8.470 -7.638 291 HB THR 35 HB THR 35 -31.134 -10.667 -7.816 292 HG1 THR 35 HG1 THR 35 -31.264 -10.116 -10.269 293 1HG2 THR 35 1HG2 THR 35 -33.254 -9.698 -7.239 294 2HG2 THR 35 2HG2 THR 35 -32.905 -8.239 -8.166 295 3HG2 THR 35 3HG2 THR 35 -32.012 -8.575 -6.683 296 H CYS 36 H CYS 36 -28.897 -8.460 -10.763 297 HA CYS 36 HA CYS 36 -27.791 -10.977 -11.343 298 1HB CYS 36 2HB CYS 36 -26.279 -9.741 -12.753 299 2HB CYS 36 1HB CYS 36 -27.809 -8.864 -12.729 300 H GLU 37 H GLU 37 -25.127 -11.161 -11.241 301 HA GLU 37 HA GLU 37 -24.543 -11.330 -8.359 302 1HB GLU 37 2HB GLU 37 -22.750 -12.731 -9.084 303 2HB GLU 37 1HB GLU 37 -24.085 -13.062 -10.189 304 1HG GLU 37 2HG GLU 37 -22.941 -11.044 -11.537 305 2HG GLU 37 1HG GLU 37 -21.513 -11.645 -10.696 306 H LYS 38 H LYS 38 -24.162 -8.882 -10.596 307 HA LYS 38 HA LYS 38 -21.577 -7.905 -9.448 308 1HB LYS 38 2HB LYS 38 -22.673 -7.990 -12.016 309 2HB LYS 38 1HB LYS 38 -22.918 -6.314 -11.523 310 1HG LYS 38 2HG LYS 38 -20.736 -5.864 -11.825 311 2HG LYS 38 1HG LYS 38 -20.285 -7.170 -10.727 312 1HD LYS 38 2HD LYS 38 -21.065 -8.559 -12.970 313 2HD LYS 38 1HD LYS 38 -20.312 -7.126 -13.670 314 1HE LYS 38 2HE LYS 38 -18.944 -8.657 -11.452 315 2HE LYS 38 1HE LYS 38 -18.755 -9.131 -13.151 316 1HZ LYS 38 1HZ LYS 38 -17.194 -7.329 -12.120 317 2HZ LYS 38 2HZ LYS 38 -18.508 -6.296 -12.425 318 3HZ LYS 38 3HZ LYS 38 -17.780 -7.148 -13.702 319 H CYS 39 H CYS 39 -24.973 -7.535 -9.355 320 HA CYS 39 HA CYS 39 -24.952 -4.801 -8.250 321 1HB CYS 39 2HB CYS 39 -26.856 -6.841 -9.267 322 2HB CYS 39 1HB CYS 39 -27.467 -5.831 -7.970 323 H ARG 40 H ARG 40 -25.466 -8.186 -7.320 324 HA ARG 40 HA ARG 40 -26.015 -7.611 -4.512 325 1HB ARG 40 2HB ARG 40 -25.504 -9.995 -6.271 326 2HB ARG 40 1HB ARG 40 -25.428 -10.201 -4.520 327 1HG ARG 40 2HG ARG 40 -27.690 -9.544 -4.234 328 2HG ARG 40 1HG ARG 40 -27.778 -8.856 -5.856 329 1HD ARG 40 2HD ARG 40 -28.934 -11.021 -5.839 330 2HD ARG 40 1HD ARG 40 -27.442 -11.177 -6.787 331 HE ARG 40 HE ARG 40 -26.498 -11.856 -4.368 332 1HH1 ARG 40 1HH2 ARG 40 -29.604 -12.183 -3.871 333 2HH1 ARG 40 2HH2 ARG 40 -29.714 -13.910 -3.957 334 1HH2 ARG 40 1HH1 ARG 40 -26.573 -14.306 -5.367 335 2HH2 ARG 40 2HH1 ARG 40 -27.999 -15.111 -4.802 336 H LEU 41 H LEU 41 -23.268 -8.341 -6.541 337 HA LEU 41 HA LEU 41 -21.347 -8.831 -4.424 338 1HB LEU 41 2HB LEU 41 -20.757 -9.710 -6.503 339 2HB LEU 41 1HB LEU 41 -21.395 -8.320 -7.375 340 HG LEU 41 HG LEU 41 -19.510 -6.975 -6.802 341 1HD1 LEU 41 1HD1 LEU 41 -19.395 -8.671 -4.531 342 2HD1 LEU 41 2HD1 LEU 41 -18.387 -7.264 -4.865 343 3HD1 LEU 41 3HD1 LEU 41 -17.862 -8.868 -5.377 344 1HD2 LEU 41 1HD2 LEU 41 -18.854 -9.781 -7.679 345 2HD2 LEU 41 2HD2 LEU 41 -17.577 -8.576 -7.517 346 3HD2 LEU 41 3HD2 LEU 41 -18.907 -8.306 -8.643 347 H THR 42 H THR 42 -22.676 -6.029 -5.997 348 HA THR 42 HA THR 42 -20.602 -4.164 -5.118 349 HB THR 42 HB THR 42 -23.374 -3.936 -6.288 350 HG1 THR 42 HG1 THR 42 -20.753 -3.949 -7.220 351 1HG2 THR 42 1HG2 THR 42 -22.835 -1.973 -4.850 352 2HG2 THR 42 2HG2 THR 42 -22.954 -1.547 -6.557 353 3HG2 THR 42 3HG2 THR 42 -21.371 -1.716 -5.798 354 H ALA 43 H ALA 43 -24.076 -4.353 -4.383 355 HA ALA 43 HA ALA 43 -24.244 -2.717 -2.150 356 1HB ALA 43 1HB ALA 43 -25.565 -5.223 -3.090 357 2HB ALA 43 2HB ALA 43 -26.278 -3.647 -2.743 358 3HB ALA 43 3HB ALA 43 -25.880 -4.746 -1.422 359 H ASP 44 H ASP 44 -22.787 -5.874 -2.451 360 HA ASP 44 HA ASP 44 -22.417 -6.409 0.376 361 1HB ASP 44 2HB ASP 44 -22.433 -7.965 -1.695 362 2HB ASP 44 1HB ASP 44 -20.777 -7.418 -1.958 363 H ARG 45 H ARG 45 -20.262 -5.278 -2.250 364 HA ARG 45 HA ARG 45 -17.939 -4.799 -0.679 365 1HB ARG 45 2HB ARG 45 -18.589 -4.708 -3.289 366 2HB ARG 45 1HB ARG 45 -18.651 -2.980 -2.941 367 1HG ARG 45 2HG ARG 45 -16.387 -2.887 -2.332 368 2HG ARG 45 1HG ARG 45 -16.299 -4.623 -2.027 369 1HD ARG 45 2HD ARG 45 -17.006 -3.826 -4.808 370 2HD ARG 45 1HD ARG 45 -15.336 -3.516 -4.296 371 HE ARG 45 HE ARG 45 -16.612 -6.201 -3.928 372 1HH1 ARG 45 1HH2 ARG 45 -15.222 -5.865 -6.528 373 2HH1 ARG 45 2HH2 ARG 45 -13.610 -6.385 -6.167 374 1HH2 ARG 45 1HH1 ARG 45 -14.013 -6.130 -2.733 375 2HH2 ARG 45 2HH1 ARG 45 -12.927 -6.538 -4.019 376 H GLN 46 H GLN 46 -20.958 -3.134 -0.763 377 HA GLN 46 HA GLN 46 -19.798 -0.634 0.364 378 1HB GLN 46 2HB GLN 46 -21.703 -1.066 -1.491 379 2HB GLN 46 1HB GLN 46 -22.721 -1.051 -0.051 380 1HG GLN 46 2HG GLN 46 -22.701 1.207 -0.381 381 2HG GLN 46 1HG GLN 46 -21.146 1.106 0.446 382 1HE2 GLN 46 1HE2 GLN 46 -19.224 0.595 -1.146 383 2HE2 GLN 46 2HE2 GLN 46 -19.257 1.409 -2.635 384 H ARG 47 H ARG 47 -20.442 -3.503 1.668 385 HA ARG 47 HA ARG 47 -22.383 -3.301 3.660 386 1HB ARG 47 2HB ARG 47 -19.973 -4.785 3.094 387 2HB ARG 47 1HB ARG 47 -20.067 -4.454 4.824 388 1HG ARG 47 2HG ARG 47 -22.446 -5.292 4.773 389 2HG ARG 47 1HG ARG 47 -22.170 -5.798 3.106 390 1HD ARG 47 2HD ARG 47 -19.973 -6.809 4.566 391 2HD ARG 47 1HD ARG 47 -21.412 -7.161 5.544 392 HE ARG 47 HE ARG 47 -21.274 -7.838 2.628 393 1HH1 ARG 47 1HH2 ARG 47 -23.911 -8.175 3.897 394 2HH1 ARG 47 2HH2 ARG 47 -23.880 -9.822 4.432 395 1HH2 ARG 47 1HH1 ARG 47 -20.433 -10.114 4.191 396 2HH2 ARG 47 2HH1 ARG 47 -21.910 -10.919 4.601 397 H VAL 48 H VAL 48 -21.986 -2.847 6.056 398 HA VAL 48 HA VAL 48 -20.096 -0.550 6.436 399 HB VAL 48 HB VAL 48 -22.428 0.192 6.059 400 1HG1 VAL 48 1HG1 VAL 48 -23.074 -2.131 7.438 401 2HG1 VAL 48 2HG1 VAL 48 -24.204 -0.853 6.990 402 3HG1 VAL 48 3HG1 VAL 48 -23.461 -0.853 8.590 403 1HG2 VAL 48 1HG2 VAL 48 -21.471 1.741 7.471 404 2HG2 VAL 48 2HG2 VAL 48 -21.045 0.529 8.680 405 3HG2 VAL 48 3HG2 VAL 48 -22.703 1.120 8.569 406 H MET 49 H MET 49 -18.604 -1.779 7.677 407 HA MET 49 HA MET 49 -19.688 -2.930 10.230 408 1HB MET 49 2HB MET 49 -18.733 -4.461 8.388 409 2HB MET 49 1HB MET 49 -17.163 -3.768 8.795 410 1HG MET 49 2HG MET 49 -17.029 -4.911 10.752 411 2HG MET 49 1HG MET 49 -18.732 -4.649 11.128 412 1HE MET 49 1HE MET 49 -20.494 -5.507 9.435 413 2HE MET 49 2HE MET 49 -20.581 -6.566 10.840 414 3HE MET 49 3HE MET 49 -20.647 -7.257 9.221 415 H ALA 50 H ALA 50 -18.580 -0.162 9.522 416 HA ALA 50 HA ALA 50 -16.290 -0.155 11.464 417 1HB ALA 50 1HB ALA 50 -15.226 0.757 9.681 418 2HB ALA 50 2HB ALA 50 -16.207 2.195 9.969 419 3HB ALA 50 3HB ALA 50 -16.741 0.982 8.806 420 H LEU 51 H LEU 51 -19.434 1.103 10.668 421 HA LEU 51 HA LEU 51 -19.390 2.715 13.182 422 1HB LEU 51 2HB LEU 51 -18.859 4.183 11.271 423 2HB LEU 51 1HB LEU 51 -20.317 3.638 10.442 424 HG LEU 51 HG LEU 51 -21.474 4.406 12.709 425 1HD1 LEU 51 1HD1 LEU 51 -20.381 6.289 13.741 426 2HD1 LEU 51 2HD1 LEU 51 -19.103 6.282 12.525 427 3HD1 LEU 51 3HD1 LEU 51 -19.211 4.970 13.698 428 1HD2 LEU 51 1HD2 LEU 51 -21.953 6.548 11.643 429 2HD2 LEU 51 2HD2 LEU 51 -21.877 5.296 10.404 430 3HD2 LEU 51 3HD2 LEU 51 -20.519 6.397 10.628 431 H GLN 52 H GLN 52 -21.294 2.474 14.330 432 HA GLN 52 HA GLN 52 -23.625 1.234 12.902 433 1HB GLN 52 2HB GLN 52 -22.314 0.637 15.559 434 2HB GLN 52 1HB GLN 52 -23.959 0.108 15.202 435 1HG GLN 52 2HG GLN 52 -22.346 -0.553 12.950 436 2HG GLN 52 1HG GLN 52 -21.492 -1.104 14.392 437 1HE2 GLN 52 1HE2 GLN 52 -23.535 -1.884 16.093 438 2HE2 GLN 52 2HE2 GLN 52 -24.458 -3.121 15.384 Start of MODEL 6 1 1H SER 1 1H SER 1 -13.740 8.963 2.252 2 2H SER 1 2H SER 1 -14.836 8.763 0.970 3 3H SER 1 3H SER 1 -15.158 9.892 2.199 4 HA SER 1 HA SER 1 -12.846 10.869 1.403 5 1HB SER 1 2HB SER 1 -12.687 8.894 -0.160 6 2HB SER 1 1HB SER 1 -14.075 9.537 -1.031 7 HG SER 1 HG SER 1 -12.783 10.893 -1.967 8 H ILE 2 H ILE 2 -14.023 12.735 2.039 9 HA ILE 2 HA ILE 2 -16.561 13.516 0.929 10 HB ILE 2 HB ILE 2 -14.318 15.084 2.244 11 1HG1 ILE 2 2HG1 ILE 2 -15.343 13.124 3.507 12 2HG1 ILE 2 1HG1 ILE 2 -15.485 14.690 4.306 13 1HG2 ILE 2 1HG2 ILE 2 -16.301 16.593 2.879 14 2HG2 ILE 2 2HG2 ILE 2 -17.193 15.762 1.605 15 3HG2 ILE 2 3HG2 ILE 2 -15.742 16.683 1.208 16 1HD1 ILE 2 1HD1 ILE 2 -17.645 13.489 2.552 17 2HD1 ILE 2 2HD1 ILE 2 -17.771 14.940 3.546 18 3HD1 ILE 2 3HD1 ILE 2 -17.619 13.358 4.310 19 H SER 3 H SER 3 -13.215 14.052 -0.060 20 HA SER 3 HA SER 3 -14.236 15.519 -2.473 21 1HB SER 3 2HB SER 3 -13.079 16.959 -0.802 22 2HB SER 3 1HB SER 3 -11.659 15.923 -0.916 23 HG SER 3 HG SER 3 -11.539 16.471 -3.126 24 HA PRO 4 HA PRO 4 -11.852 11.759 -3.719 25 1HB PRO 4 2HB PRO 4 -13.659 10.907 -5.587 26 2HB PRO 4 1HB PRO 4 -13.768 10.473 -3.870 27 1HG PRO 4 2HG PRO 4 -15.284 12.515 -5.406 28 2HG PRO 4 1HG PRO 4 -15.823 11.458 -4.093 29 1HD PRO 4 2HD PRO 4 -15.194 14.111 -3.778 30 2HD PRO 4 1HD PRO 4 -15.128 12.906 -2.475 31 H ARG 5 H ARG 5 -10.544 11.648 -5.595 32 HA ARG 5 HA ARG 5 -10.473 14.051 -7.272 33 1HB ARG 5 2HB ARG 5 -8.836 11.640 -6.692 34 2HB ARG 5 1HB ARG 5 -8.618 12.350 -8.292 35 1HG ARG 5 2HG ARG 5 -7.684 14.270 -7.464 36 2HG ARG 5 1HG ARG 5 -8.688 14.255 -6.012 37 1HD ARG 5 2HD ARG 5 -7.197 12.040 -5.539 38 2HD ARG 5 1HD ARG 5 -6.033 12.998 -6.478 39 HE ARG 5 HE ARG 5 -6.179 14.749 -4.817 40 1HH1 ARG 5 1HH2 ARG 5 -9.094 14.329 -4.108 41 2HH1 ARG 5 2HH2 ARG 5 -8.971 13.714 -2.493 42 1HH2 ARG 5 1HH1 ARG 5 -5.600 12.949 -2.755 43 2HH2 ARG 5 2HH1 ARG 5 -6.995 12.933 -1.728 44 H THR 6 H THR 6 -12.346 11.317 -7.387 45 HA THR 6 HA THR 6 -12.621 11.519 -10.362 46 HB THR 6 HB THR 6 -12.916 9.009 -10.305 47 HG1 THR 6 HG1 THR 6 -12.052 9.443 -7.641 48 1HG2 THR 6 1HG2 THR 6 -10.254 9.331 -9.110 49 2HG2 THR 6 2HG2 THR 6 -10.608 10.515 -10.368 50 3HG2 THR 6 3HG2 THR 6 -10.703 8.791 -10.728 51 HA PRO 7 HA PRO 7 -16.924 11.701 -9.533 52 1HB PRO 7 2HB PRO 7 -17.969 10.404 -11.702 53 2HB PRO 7 1HB PRO 7 -17.232 12.015 -11.803 54 1HG PRO 7 2HG PRO 7 -16.107 9.371 -12.550 55 2HG PRO 7 1HG PRO 7 -15.896 10.948 -13.323 56 1HD PRO 7 2HD PRO 7 -14.036 9.767 -11.683 57 2HD PRO 7 1HD PRO 7 -14.154 11.517 -11.968 58 HA PRO 8 HA PRO 8 -17.478 7.690 -7.572 59 1HB PRO 8 2HB PRO 8 -19.386 8.534 -5.803 60 2HB PRO 8 1HB PRO 8 -17.650 8.818 -5.559 61 1HG PRO 8 2HG PRO 8 -19.754 10.678 -6.534 62 2HG PRO 8 1HG PRO 8 -18.356 10.996 -5.494 63 1HD PRO 8 2HD PRO 8 -18.460 11.615 -8.164 64 2HD PRO 8 1HD PRO 8 -16.956 11.326 -7.265 65 H ASN 9 H ASN 9 -18.500 7.183 -9.790 66 HA ASN 9 HA ASN 9 -21.298 7.638 -10.294 67 1HB ASN 9 2HB ASN 9 -20.920 6.150 -12.113 68 2HB ASN 9 1HB ASN 9 -19.384 6.981 -11.868 69 1HD2 ASN 9 1HD2 ASN 9 -20.644 3.926 -12.360 70 2HD2 ASN 9 2HD2 ASN 9 -19.420 3.003 -11.631 71 H CYS 10 H CYS 10 -22.961 5.946 -10.315 72 HA CYS 10 HA CYS 10 -23.145 4.541 -7.783 73 1HB CYS 10 2HB CYS 10 -25.119 5.471 -8.911 74 2HB CYS 10 1HB CYS 10 -24.778 4.534 -10.333 75 H ALA 11 H ALA 11 -22.980 2.286 -7.435 76 HA ALA 11 HA ALA 11 -21.480 0.800 -9.493 77 1HB ALA 11 1HB ALA 11 -21.874 -0.905 -7.395 78 2HB ALA 11 2HB ALA 11 -22.005 0.663 -6.598 79 3HB ALA 11 3HB ALA 11 -20.544 0.250 -7.496 80 H ARG 12 H ARG 12 -24.594 0.574 -7.788 81 HA ARG 12 HA ARG 12 -25.576 -1.877 -8.632 82 1HB ARG 12 2HB ARG 12 -26.672 -0.103 -7.249 83 2HB ARG 12 1HB ARG 12 -26.965 0.817 -8.711 84 1HG ARG 12 2HG ARG 12 -28.872 -0.316 -8.973 85 2HG ARG 12 1HG ARG 12 -27.910 -1.766 -9.263 86 1HD ARG 12 2HD ARG 12 -28.066 -1.165 -6.413 87 2HD ARG 12 1HD ARG 12 -29.678 -1.381 -7.121 88 HE ARG 12 HE ARG 12 -28.292 -3.443 -8.259 89 1HH1 ARG 12 1HH2 ARG 12 -26.564 -2.938 -5.701 90 2HH1 ARG 12 2HH2 ARG 12 -27.188 -4.186 -4.675 91 1HH2 ARG 12 1HH1 ARG 12 -29.975 -4.781 -6.653 92 2HH2 ARG 12 2HH1 ARG 12 -29.123 -5.228 -5.212 93 H CYS 13 H CYS 13 -25.587 1.142 -10.446 94 HA CYS 13 HA CYS 13 -26.531 -0.282 -12.866 95 1HB CYS 13 2HB CYS 13 -26.691 2.035 -13.741 96 2HB CYS 13 1HB CYS 13 -27.399 1.932 -12.149 97 H ARG 14 H ARG 14 -23.480 0.570 -11.464 98 HA ARG 14 HA ARG 14 -21.902 0.905 -13.870 99 1HB ARG 14 2HB ARG 14 -20.403 1.356 -12.236 100 2HB ARG 14 1HB ARG 14 -21.644 0.941 -11.073 101 1HG ARG 14 2HG ARG 14 -19.865 -1.178 -12.311 102 2HG ARG 14 1HG ARG 14 -19.384 -0.300 -10.867 103 1HD ARG 14 2HD ARG 14 -21.322 -1.156 -9.655 104 2HD ARG 14 1HD ARG 14 -21.909 -1.963 -11.114 105 HE ARG 14 HE ARG 14 -20.377 -3.671 -10.604 106 1HH1 ARG 14 1HH2 ARG 14 -19.578 -0.942 -8.756 107 2HH1 ARG 14 2HH2 ARG 14 -17.927 -1.400 -8.500 108 1HH2 ARG 14 1HH1 ARG 14 -18.082 -4.141 -10.619 109 2HH2 ARG 14 2HH1 ARG 14 -17.081 -3.215 -9.552 110 H ASN 15 H ASN 15 -23.369 -1.799 -12.395 111 HA ASN 15 HA ASN 15 -21.539 -3.876 -13.131 112 1HB ASN 15 2HB ASN 15 -24.454 -3.650 -12.411 113 2HB ASN 15 1HB ASN 15 -23.672 -5.206 -12.635 114 1HD2 ASN 15 1HD2 ASN 15 -24.298 -2.741 -10.427 115 2HD2 ASN 15 2HD2 ASN 15 -23.088 -3.055 -9.287 116 H HIS 16 H HIS 16 -24.318 -2.429 -14.706 117 HA HIS 16 HA HIS 16 -24.146 -4.349 -16.955 118 1HB HIS 16 2HB HIS 16 -26.071 -2.128 -16.216 119 2HB HIS 16 1HB HIS 16 -26.324 -3.326 -17.464 120 HD1 HIS 16 HD1 HIS 16 -27.327 -5.524 -16.781 121 HD2 HIS 16 HD2 HIS 16 -25.739 -3.391 -13.579 122 HE1 HIS 16 HE1 HIS 16 -27.909 -6.840 -14.678 123 H GLY 17 H GLY 17 -22.913 -1.287 -16.130 124 1HA GLY 17 2HA GLY 17 -21.294 -0.327 -17.764 125 2HA GLY 17 1HA GLY 17 -22.458 -0.712 -19.034 126 H LEU 18 H LEU 18 -23.334 0.642 -15.918 127 HA LEU 18 HA LEU 18 -24.364 3.050 -17.357 128 1HB LEU 18 2HB LEU 18 -25.534 1.221 -15.680 129 2HB LEU 18 1HB LEU 18 -25.105 2.509 -14.552 130 HG LEU 18 HG LEU 18 -27.356 2.884 -15.453 131 1HD1 LEU 18 1HD1 LEU 18 -27.033 5.129 -15.674 132 2HD1 LEU 18 2HD1 LEU 18 -25.824 4.932 -16.943 133 3HD1 LEU 18 3HD1 LEU 18 -25.372 4.721 -15.252 134 1HD2 LEU 18 1HD2 LEU 18 -25.991 2.162 -17.940 135 2HD2 LEU 18 2HD2 LEU 18 -26.943 3.639 -18.101 136 3HD2 LEU 18 3HD2 LEU 18 -27.715 2.147 -17.563 137 H LYS 19 H LYS 19 -23.945 5.139 -16.432 138 HA LYS 19 HA LYS 19 -22.047 5.357 -14.177 139 1HB LYS 19 2HB LYS 19 -21.100 5.159 -16.739 140 2HB LYS 19 1HB LYS 19 -21.302 6.905 -16.591 141 1HG LYS 19 2HG LYS 19 -19.057 6.288 -15.859 142 2HG LYS 19 1HG LYS 19 -19.993 6.845 -14.472 143 1HD LYS 19 2HD LYS 19 -19.133 4.901 -13.571 144 2HD LYS 19 1HD LYS 19 -20.592 4.241 -14.310 145 1HE LYS 19 2HE LYS 19 -18.466 4.370 -16.277 146 2HE LYS 19 1HE LYS 19 -17.942 3.450 -14.852 147 1HZ LYS 19 1HZ LYS 19 -19.976 2.179 -14.934 148 2HZ LYS 19 2HZ LYS 19 -19.188 2.065 -16.436 149 3HZ LYS 19 3HZ LYS 19 -20.538 3.082 -16.255 150 H ILE 20 H ILE 20 -23.804 6.405 -13.166 151 HA ILE 20 HA ILE 20 -24.840 8.900 -14.413 152 HB ILE 20 HB ILE 20 -26.788 8.348 -13.345 153 1HG1 ILE 20 2HG1 ILE 20 -25.511 8.808 -11.100 154 2HG1 ILE 20 1HG1 ILE 20 -27.076 8.054 -11.139 155 1HG2 ILE 20 1HG2 ILE 20 -26.070 6.253 -14.420 156 2HG2 ILE 20 2HG2 ILE 20 -27.172 6.015 -13.068 157 3HG2 ILE 20 3HG2 ILE 20 -25.448 5.716 -12.864 158 1HD1 ILE 20 1HD1 ILE 20 -25.510 6.824 -9.724 159 2HD1 ILE 20 2HD1 ILE 20 -24.470 6.568 -11.115 160 3HD1 ILE 20 3HD1 ILE 20 -26.076 5.848 -11.069 161 H THR 21 H THR 21 -22.449 7.982 -12.231 162 HA THR 21 HA THR 21 -21.028 9.385 -10.904 163 HB THR 21 HB THR 21 -23.091 11.557 -11.049 164 HG1 THR 21 HG1 THR 21 -22.876 11.747 -13.123 165 1HG2 THR 21 1HG2 THR 21 -21.358 12.815 -10.355 166 2HG2 THR 21 2HG2 THR 21 -20.358 12.254 -11.695 167 3HG2 THR 21 3HG2 THR 21 -20.416 11.333 -10.193 168 H LEU 22 H LEU 22 -23.991 8.235 -10.285 169 HA LEU 22 HA LEU 22 -25.353 7.886 -8.383 170 1HB LEU 22 2HB LEU 22 -23.172 6.737 -7.959 171 2HB LEU 22 1HB LEU 22 -22.632 8.162 -7.085 172 HG LEU 22 HG LEU 22 -23.781 6.060 -5.864 173 1HD1 LEU 22 1HD1 LEU 22 -23.489 7.393 -4.080 174 2HD1 LEU 22 2HD1 LEU 22 -24.767 8.486 -4.611 175 3HD1 LEU 22 3HD1 LEU 22 -23.121 8.697 -5.209 176 1HD2 LEU 22 1HD2 LEU 22 -26.116 6.328 -5.501 177 2HD2 LEU 22 2HD2 LEU 22 -25.908 6.517 -7.241 178 3HD2 LEU 22 3HD2 LEU 22 -26.125 7.939 -6.220 179 H LYS 23 H LYS 23 -24.733 10.794 -9.165 180 HA LYS 23 HA LYS 23 -24.836 12.175 -6.557 181 1HB LYS 23 2HB LYS 23 -24.394 12.780 -9.391 182 2HB LYS 23 1HB LYS 23 -25.438 13.970 -8.612 183 1HG LYS 23 2HG LYS 23 -23.795 14.450 -6.938 184 2HG LYS 23 1HG LYS 23 -22.815 13.061 -7.410 185 1HD LYS 23 2HD LYS 23 -22.858 14.315 -9.772 186 2HD LYS 23 1HD LYS 23 -23.094 15.721 -8.733 187 1HE LYS 23 2HE LYS 23 -21.077 14.996 -7.401 188 2HE LYS 23 1HE LYS 23 -20.793 13.741 -8.623 189 1HZ LYS 23 1HZ LYS 23 -21.209 15.818 -10.196 190 2HZ LYS 23 2HZ LYS 23 -19.663 15.419 -9.613 191 3HZ LYS 23 3HZ LYS 23 -20.570 16.641 -8.857 192 H GLY 24 H GLY 24 -26.830 12.093 -5.493 193 1HA GLY 24 2HA GLY 24 -29.182 11.975 -5.231 194 2HA GLY 24 1HA GLY 24 -29.221 13.170 -6.536 195 H HIS 25 H HIS 25 -28.399 9.721 -6.221 196 HA HIS 25 HA HIS 25 -29.981 9.193 -8.716 197 1HB HIS 25 2HB HIS 25 -27.575 9.165 -9.012 198 2HB HIS 25 1HB HIS 25 -27.376 8.114 -7.616 199 HD1 HIS 25 HD1 HIS 25 -29.340 7.964 -10.897 200 HD2 HIS 25 HD2 HIS 25 -26.952 5.543 -8.494 201 HE1 HIS 25 HE1 HIS 25 -28.923 5.817 -12.169 202 H LYS 26 H LYS 26 -28.449 6.560 -7.118 203 HA LYS 26 HA LYS 26 -29.397 4.611 -6.213 204 1HB LYS 26 2HB LYS 26 -30.505 6.983 -4.713 205 2HB LYS 26 1HB LYS 26 -30.970 5.348 -4.241 206 1HG LYS 26 2HG LYS 26 -28.552 4.758 -4.054 207 2HG LYS 26 1HG LYS 26 -28.147 6.440 -4.401 208 1HD LYS 26 2HD LYS 26 -29.897 6.854 -2.411 209 2HD LYS 26 1HD LYS 26 -29.341 5.245 -1.944 210 1HE LYS 26 2HE LYS 26 -27.186 7.121 -2.741 211 2HE LYS 26 1HE LYS 26 -28.032 7.528 -1.233 212 1HZ LYS 26 1HZ LYS 26 -26.945 4.846 -1.919 213 2HZ LYS 26 2HZ LYS 26 -27.733 5.265 -0.473 214 3HZ LYS 26 3HZ LYS 26 -26.221 5.944 -0.847 215 H ARG 27 H ARG 27 -32.373 6.316 -5.507 216 HA ARG 27 HA ARG 27 -34.121 4.450 -6.645 217 1HB ARG 27 2HB ARG 27 -34.739 6.323 -5.152 218 2HB ARG 27 1HB ARG 27 -34.392 7.471 -6.445 219 1HG ARG 27 2HG ARG 27 -36.256 6.842 -7.691 220 2HG ARG 27 1HG ARG 27 -36.333 5.241 -6.956 221 1HD ARG 27 2HD ARG 27 -36.827 7.739 -5.320 222 2HD ARG 27 1HD ARG 27 -38.136 6.928 -6.205 223 HE ARG 27 HE ARG 27 -37.458 4.826 -4.947 224 1HH1 ARG 27 1HH2 ARG 27 -38.163 7.661 -3.445 225 2HH1 ARG 27 2HH2 ARG 27 -37.355 7.317 -1.952 226 1HH2 ARG 27 1HH1 ARG 27 -35.744 4.497 -3.168 227 2HH2 ARG 27 2HH1 ARG 27 -35.984 5.527 -1.797 228 H TYR 28 H TYR 28 -32.343 7.062 -8.193 229 HA TYR 28 HA TYR 28 -33.745 6.925 -10.745 230 1HB TYR 28 2HB TYR 28 -31.170 8.124 -9.698 231 2HB TYR 28 1HB TYR 28 -31.640 8.272 -11.395 232 HD1 TYR 28 HD1 TYR 28 -33.021 8.787 -7.945 233 HD2 TYR 28 HD2 TYR 28 -33.034 10.027 -12.057 234 HE1 TYR 28 HE1 TYR 28 -34.542 10.661 -7.376 235 HE2 TYR 28 HE2 TYR 28 -34.556 11.901 -11.488 236 HH TYR 28 HH TYR 28 -35.658 12.949 -9.879 237 H CYS 29 H CYS 29 -31.596 4.852 -9.204 238 HA CYS 29 HA CYS 29 -29.891 4.063 -11.398 239 1HB CYS 29 2HB CYS 29 -29.645 3.719 -8.853 240 2HB CYS 29 1HB CYS 29 -30.772 2.380 -9.047 241 H LYS 30 H LYS 30 -30.745 3.099 -13.254 242 HA LYS 30 HA LYS 30 -33.277 1.836 -13.471 243 1HB LYS 30 2HB LYS 30 -31.400 2.495 -15.213 244 2HB LYS 30 1HB LYS 30 -30.845 0.841 -14.946 245 1HG LYS 30 2HG LYS 30 -33.656 0.698 -15.265 246 2HG LYS 30 1HG LYS 30 -33.061 1.756 -16.545 247 1HD LYS 30 2HD LYS 30 -31.527 -0.746 -16.015 248 2HD LYS 30 1HD LYS 30 -33.088 -0.907 -16.820 249 1HE LYS 30 2HE LYS 30 -31.237 1.220 -17.826 250 2HE LYS 30 1HE LYS 30 -30.869 -0.467 -18.238 251 1HZ LYS 30 1HZ LYS 30 -32.525 0.838 -19.710 252 2HZ LYS 30 2HZ LYS 30 -33.628 0.543 -18.451 253 3HZ LYS 30 3HZ LYS 30 -32.898 -0.757 -19.266 254 H PHE 31 H PHE 31 -30.301 0.841 -12.049 255 HA PHE 31 HA PHE 31 -31.148 -1.994 -11.714 256 1HB PHE 31 2HB PHE 31 -28.567 -0.525 -11.053 257 2HB PHE 31 1HB PHE 31 -28.758 -2.277 -11.170 258 HD1 PHE 31 HD1 PHE 31 -28.725 0.903 -13.053 259 HD2 PHE 31 HD2 PHE 31 -28.910 -3.378 -13.322 260 HE1 PHE 31 HE1 PHE 31 -28.334 1.045 -15.491 261 HE2 PHE 31 HE2 PHE 31 -28.518 -3.239 -15.764 262 HZ PHE 31 HZ PHE 31 -28.225 -1.028 -16.853 263 H ARG 32 H ARG 32 -31.873 0.759 -10.209 264 HA ARG 32 HA ARG 32 -31.046 0.799 -7.574 265 1HB ARG 32 2HB ARG 32 -33.096 1.957 -7.152 266 2HB ARG 32 1HB ARG 32 -32.724 2.267 -8.844 267 1HG ARG 32 2HG ARG 32 -34.482 -0.060 -8.064 268 2HG ARG 32 1HG ARG 32 -35.150 1.560 -8.226 269 1HD ARG 32 2HD ARG 32 -34.380 1.694 -10.545 270 2HD ARG 32 1HD ARG 32 -33.597 0.108 -10.399 271 HE ARG 32 HE ARG 32 -35.924 -0.791 -9.877 272 1HH1 ARG 32 1HH2 ARG 32 -35.161 1.502 -12.251 273 2HH1 ARG 32 2HH2 ARG 32 -36.795 1.740 -12.775 274 1HH2 ARG 32 1HH1 ARG 32 -38.167 -0.207 -10.257 275 2HH2 ARG 32 2HH1 ARG 32 -38.496 0.773 -11.647 276 H TYR 33 H TYR 33 -33.084 -1.535 -9.141 277 HA TYR 33 HA TYR 33 -33.308 -3.039 -6.551 278 1HB TYR 33 2HB TYR 33 -35.299 -2.620 -8.797 279 2HB TYR 33 1HB TYR 33 -35.530 -3.806 -7.513 280 HD1 TYR 33 HD1 TYR 33 -36.954 -0.985 -8.338 281 HD2 TYR 33 HD2 TYR 33 -34.365 -2.345 -5.190 282 HE1 TYR 33 HE1 TYR 33 -37.829 0.794 -6.849 283 HE2 TYR 33 HE2 TYR 33 -35.240 -0.567 -3.703 284 HH TYR 33 HH TYR 33 -37.258 0.825 -3.492 285 H CYS 34 H CYS 34 -31.678 -3.091 -9.340 286 HA CYS 34 HA CYS 34 -32.177 -5.516 -10.673 287 1HB CYS 34 2HB CYS 34 -30.473 -3.733 -11.232 288 2HB CYS 34 1HB CYS 34 -29.485 -4.352 -9.906 289 H THR 35 H THR 35 -30.780 -7.562 -10.414 290 HA THR 35 HA THR 35 -30.100 -8.132 -7.564 291 HB THR 35 HB THR 35 -31.397 -10.316 -7.920 292 HG1 THR 35 HG1 THR 35 -33.043 -10.049 -9.570 293 1HG2 THR 35 1HG2 THR 35 -33.255 -7.975 -8.161 294 2HG2 THR 35 2HG2 THR 35 -32.168 -8.066 -6.775 295 3HG2 THR 35 3HG2 THR 35 -33.334 -9.357 -7.068 296 H CYS 36 H CYS 36 -29.068 -8.190 -10.731 297 HA CYS 36 HA CYS 36 -27.972 -10.714 -11.223 298 1HB CYS 36 2HB CYS 36 -26.439 -9.551 -12.641 299 2HB CYS 36 1HB CYS 36 -27.909 -8.580 -12.612 300 H GLU 37 H GLU 37 -25.412 -11.133 -10.957 301 HA GLU 37 HA GLU 37 -24.913 -11.078 -8.054 302 1HB GLU 37 2HB GLU 37 -24.594 -13.036 -9.625 303 2HB GLU 37 1HB GLU 37 -23.216 -12.176 -10.311 304 1HG GLU 37 2HG GLU 37 -21.931 -12.427 -8.405 305 2HG GLU 37 1HG GLU 37 -23.337 -12.501 -7.342 306 H LYS 38 H LYS 38 -24.292 -8.853 -10.435 307 HA LYS 38 HA LYS 38 -21.611 -8.072 -9.359 308 1HB LYS 38 2HB LYS 38 -22.545 -8.269 -11.903 309 2HB LYS 38 1HB LYS 38 -22.974 -6.592 -11.564 310 1HG LYS 38 2HG LYS 38 -20.802 -6.341 -12.367 311 2HG LYS 38 1HG LYS 38 -20.510 -6.461 -10.632 312 1HD LYS 38 2HD LYS 38 -20.243 -8.977 -10.989 313 2HD LYS 38 1HD LYS 38 -20.203 -8.631 -12.718 314 1HE LYS 38 2HE LYS 38 -18.415 -6.899 -11.137 315 2HE LYS 38 1HE LYS 38 -17.981 -8.621 -11.092 316 1HZ LYS 38 1HZ LYS 38 -17.009 -7.691 -13.044 317 2HZ LYS 38 2HZ LYS 38 -18.470 -6.954 -13.502 318 3HZ LYS 38 3HZ LYS 38 -18.319 -8.645 -13.543 319 H CYS 39 H CYS 39 -24.952 -7.362 -9.273 320 HA CYS 39 HA CYS 39 -24.650 -4.593 -8.282 321 1HB CYS 39 2HB CYS 39 -26.757 -6.474 -9.223 322 2HB CYS 39 1HB CYS 39 -27.259 -5.333 -7.995 323 H ARG 40 H ARG 40 -25.777 -7.824 -7.254 324 HA ARG 40 HA ARG 40 -26.216 -7.141 -4.480 325 1HB ARG 40 2HB ARG 40 -26.047 -9.547 -6.230 326 2HB ARG 40 1HB ARG 40 -25.761 -9.822 -4.510 327 1HG ARG 40 2HG ARG 40 -27.911 -9.204 -3.910 328 2HG ARG 40 1HG ARG 40 -28.107 -8.141 -5.304 329 1HD ARG 40 2HD ARG 40 -29.280 -9.826 -6.278 330 2HD ARG 40 1HD ARG 40 -27.745 -10.709 -6.403 331 HE ARG 40 HE ARG 40 -28.346 -11.961 -4.468 332 1HH1 ARG 40 1HH2 ARG 40 -31.050 -10.544 -5.698 333 2HH1 ARG 40 2HH2 ARG 40 -31.937 -10.461 -4.213 334 1HH2 ARG 40 1HH1 ARG 40 -29.219 -11.312 -2.234 335 2HH2 ARG 40 2HH1 ARG 40 -30.901 -10.898 -2.253 336 H LEU 41 H LEU 41 -23.535 -8.247 -6.433 337 HA LEU 41 HA LEU 41 -21.676 -8.892 -4.347 338 1HB LEU 41 2HB LEU 41 -21.168 -9.647 -6.522 339 2HB LEU 41 1HB LEU 41 -21.587 -8.098 -7.250 340 HG LEU 41 HG LEU 41 -19.081 -8.721 -7.075 341 1HD1 LEU 41 1HD1 LEU 41 -18.722 -6.522 -7.410 342 2HD1 LEU 41 2HD1 LEU 41 -19.285 -6.107 -5.791 343 3HD1 LEU 41 3HD1 LEU 41 -20.446 -6.307 -7.103 344 1HD2 LEU 41 1HD2 LEU 41 -18.126 -8.924 -5.037 345 2HD2 LEU 41 2HD2 LEU 41 -19.763 -9.012 -4.387 346 3HD2 LEU 41 3HD2 LEU 41 -18.920 -7.464 -4.445 347 H THR 42 H THR 42 -22.312 -5.956 -6.211 348 HA THR 42 HA THR 42 -20.394 -4.196 -5.193 349 HB THR 42 HB THR 42 -23.284 -3.942 -5.996 350 HG1 THR 42 HG1 THR 42 -21.167 -4.222 -7.340 351 1HG2 THR 42 1HG2 THR 42 -21.424 -1.641 -5.337 352 2HG2 THR 42 2HG2 THR 42 -22.758 -2.171 -4.312 353 3HG2 THR 42 3HG2 THR 42 -23.086 -1.514 -5.916 354 H ALA 43 H ALA 43 -23.713 -4.426 -3.947 355 HA ALA 43 HA ALA 43 -23.443 -3.052 -1.535 356 1HB ALA 43 1HB ALA 43 -25.595 -3.791 -1.644 357 2HB ALA 43 2HB ALA 43 -25.014 -5.312 -0.965 358 3HB ALA 43 3HB ALA 43 -25.142 -5.118 -2.713 359 H ASP 44 H ASP 44 -22.230 -6.184 -2.465 360 HA ASP 44 HA ASP 44 -21.443 -7.022 0.231 361 1HB ASP 44 2HB ASP 44 -22.076 -8.297 -2.040 362 2HB ASP 44 1HB ASP 44 -20.336 -8.169 -2.302 363 H ARG 45 H ARG 45 -19.711 -6.102 -2.771 364 HA ARG 45 HA ARG 45 -17.074 -6.099 -2.069 365 1HB ARG 45 2HB ARG 45 -18.755 -4.823 -3.926 366 2HB ARG 45 1HB ARG 45 -17.794 -3.525 -3.218 367 1HG ARG 45 2HG ARG 45 -16.167 -5.876 -3.767 368 2HG ARG 45 1HG ARG 45 -16.967 -5.286 -5.224 369 1HD ARG 45 2HD ARG 45 -16.059 -2.971 -3.891 370 2HD ARG 45 1HD ARG 45 -14.717 -4.130 -3.814 371 HE ARG 45 HE ARG 45 -15.766 -2.916 -6.243 372 1HH1 ARG 45 1HH2 ARG 45 -14.435 -5.788 -4.867 373 2HH1 ARG 45 2HH2 ARG 45 -13.658 -6.285 -6.334 374 1HH2 ARG 45 1HH1 ARG 45 -14.702 -3.518 -8.143 375 2HH2 ARG 45 2HH1 ARG 45 -13.811 -5.003 -8.187 376 H GLN 46 H GLN 46 -19.519 -3.935 -0.734 377 HA GLN 46 HA GLN 46 -17.857 -1.947 0.431 378 1HB GLN 46 2HB GLN 46 -20.505 -3.206 1.188 379 2HB GLN 46 1HB GLN 46 -19.841 -1.816 2.050 380 1HG GLN 46 2HG GLN 46 -19.568 -1.076 -0.601 381 2HG GLN 46 1HG GLN 46 -21.107 -1.939 -0.593 382 1HE2 GLN 46 1HE2 GLN 46 -22.501 -1.276 1.514 383 2HE2 GLN 46 2HE2 GLN 46 -22.579 0.393 1.805 384 H ARG 47 H ARG 47 -18.996 -5.057 1.803 385 HA ARG 47 HA ARG 47 -17.772 -4.819 4.359 386 1HB ARG 47 2HB ARG 47 -18.011 -7.293 4.351 387 2HB ARG 47 1HB ARG 47 -19.451 -6.505 3.705 388 1HG ARG 47 2HG ARG 47 -19.204 -7.585 1.747 389 2HG ARG 47 1HG ARG 47 -17.573 -6.936 1.569 390 1HD ARG 47 2HD ARG 47 -16.842 -9.074 1.833 391 2HD ARG 47 1HD ARG 47 -17.315 -8.920 3.537 392 HE ARG 47 HE ARG 47 -19.436 -9.638 1.587 393 1HH1 ARG 47 1HH2 ARG 47 -18.653 -9.867 4.762 394 2HH1 ARG 47 2HH2 ARG 47 -18.900 -11.574 4.921 395 1HH2 ARG 47 1HH1 ARG 47 -19.180 -12.120 1.509 396 2HH2 ARG 47 2HH1 ARG 47 -19.199 -12.849 3.080 397 H VAL 48 H VAL 48 -15.647 -3.834 3.841 398 HA VAL 48 HA VAL 48 -13.603 -5.920 3.287 399 HB VAL 48 HB VAL 48 -12.557 -4.307 1.625 400 1HG1 VAL 48 1HG1 VAL 48 -15.351 -5.274 0.948 401 2HG1 VAL 48 2HG1 VAL 48 -13.916 -6.300 0.964 402 3HG1 VAL 48 3HG1 VAL 48 -14.040 -4.975 -0.194 403 1HG2 VAL 48 1HG2 VAL 48 -13.571 -2.334 1.087 404 2HG2 VAL 48 2HG2 VAL 48 -14.347 -2.517 2.660 405 3HG2 VAL 48 3HG2 VAL 48 -15.189 -3.026 1.197 406 H MET 49 H MET 49 -13.192 -5.502 5.613 407 HA MET 49 HA MET 49 -11.882 -2.857 6.146 408 1HB MET 49 2HB MET 49 -13.147 -4.957 7.937 409 2HB MET 49 1HB MET 49 -12.344 -3.504 8.536 410 1HG MET 49 2HG MET 49 -13.926 -2.095 7.290 411 2HG MET 49 1HG MET 49 -14.719 -3.534 6.650 412 1HE MET 49 1HE MET 49 -14.784 -1.237 10.256 413 2HE MET 49 2HE MET 49 -13.319 -1.834 9.480 414 3HE MET 49 3HE MET 49 -13.936 -2.640 10.920 415 H ALA 50 H ALA 50 -9.871 -2.937 7.416 416 HA ALA 50 HA ALA 50 -8.457 -5.579 7.293 417 1HB ALA 50 1HB ALA 50 -7.179 -4.658 5.673 418 2HB ALA 50 2HB ALA 50 -6.594 -3.498 6.866 419 3HB ALA 50 3HB ALA 50 -7.992 -3.104 5.866 420 H LEU 51 H LEU 51 -6.503 -5.590 8.754 421 HA LEU 51 HA LEU 51 -6.753 -3.680 11.048 422 1HB LEU 51 2HB LEU 51 -7.306 -6.529 10.891 423 2HB LEU 51 1HB LEU 51 -6.042 -6.200 12.076 424 HG LEU 51 HG LEU 51 -7.595 -4.322 12.932 425 1HD1 LEU 51 1HD1 LEU 51 -9.917 -5.882 12.023 426 2HD1 LEU 51 2HD1 LEU 51 -9.077 -5.040 10.720 427 3HD1 LEU 51 3HD1 LEU 51 -9.698 -4.134 12.101 428 1HD2 LEU 51 1HD2 LEU 51 -8.162 -5.775 14.585 429 2HD2 LEU 51 2HD2 LEU 51 -7.266 -6.967 13.645 430 3HD2 LEU 51 3HD2 LEU 51 -9.016 -6.844 13.471 431 H GLN 52 H GLN 52 -4.762 -2.928 11.723 432 HA GLN 52 HA GLN 52 -2.321 -4.454 10.890 433 1HB GLN 52 2HB GLN 52 -3.171 -2.311 9.553 434 2HB GLN 52 1HB GLN 52 -2.367 -1.461 10.874 435 1HG GLN 52 2HG GLN 52 -0.535 -3.423 10.198 436 2HG GLN 52 1HG GLN 52 -1.200 -2.949 8.634 437 1HE2 GLN 52 1HE2 GLN 52 -0.683 -0.935 11.571 438 2HE2 GLN 52 2HE2 GLN 52 0.352 0.175 10.810 Start of MODEL 7 1 1H SER 1 1H SER 1 -26.095 12.581 -24.411 2 2H SER 1 2H SER 1 -24.950 12.935 -25.616 3 3H SER 1 3H SER 1 -25.445 14.143 -24.528 4 HA SER 1 HA SER 1 -23.182 13.004 -24.126 5 1HB SER 1 2HB SER 1 -23.712 13.240 -21.664 6 2HB SER 1 1HB SER 1 -24.241 14.604 -22.646 7 HG SER 1 HG SER 1 -26.320 13.558 -22.721 8 H ILE 2 H ILE 2 -22.463 10.904 -24.303 9 HA ILE 2 HA ILE 2 -24.224 8.636 -23.669 10 HB ILE 2 HB ILE 2 -21.292 8.727 -24.447 11 1HG1 ILE 2 2HG1 ILE 2 -23.810 8.740 -26.138 12 2HG1 ILE 2 1HG1 ILE 2 -22.550 9.974 -26.100 13 1HG2 ILE 2 1HG2 ILE 2 -21.629 6.469 -25.193 14 2HG2 ILE 2 2HG2 ILE 2 -23.374 6.590 -24.960 15 3HG2 ILE 2 3HG2 ILE 2 -22.297 6.563 -23.563 16 1HD1 ILE 2 1HD1 ILE 2 -20.916 8.311 -26.948 17 2HD1 ILE 2 2HD1 ILE 2 -22.260 8.531 -28.068 18 3HD1 ILE 2 3HD1 ILE 2 -22.201 7.107 -27.029 19 H SER 3 H SER 3 -20.865 9.377 -22.641 20 HA SER 3 HA SER 3 -21.581 8.878 -19.816 21 1HB SER 3 2HB SER 3 -21.238 6.640 -20.288 22 2HB SER 3 1HB SER 3 -20.160 6.986 -21.637 23 HG SER 3 HG SER 3 -19.437 7.607 -18.981 24 HA PRO 4 HA PRO 4 -18.255 11.899 -19.957 25 1HB PRO 4 2HB PRO 4 -18.646 12.814 -17.406 26 2HB PRO 4 1HB PRO 4 -19.634 13.340 -18.784 27 1HG PRO 4 2HG PRO 4 -20.258 11.370 -16.650 28 2HG PRO 4 1HG PRO 4 -21.318 12.527 -17.468 29 1HD PRO 4 2HD PRO 4 -21.225 9.845 -18.042 30 2HD PRO 4 1HD PRO 4 -21.768 11.095 -19.182 31 H ARG 5 H ARG 5 -16.824 12.383 -17.552 32 HA ARG 5 HA ARG 5 -15.746 9.660 -16.898 33 1HB ARG 5 2HB ARG 5 -13.514 10.684 -17.015 34 2HB ARG 5 1HB ARG 5 -14.376 10.950 -18.529 35 1HG ARG 5 2HG ARG 5 -15.142 13.186 -17.448 36 2HG ARG 5 1HG ARG 5 -13.814 12.918 -16.318 37 1HD ARG 5 2HD ARG 5 -12.216 13.353 -17.900 38 2HD ARG 5 1HD ARG 5 -13.138 12.552 -19.188 39 HE ARG 5 HE ARG 5 -14.461 14.963 -18.261 40 1HH1 ARG 5 1HH2 ARG 5 -11.365 14.694 -19.420 41 2HH1 ARG 5 2HH2 ARG 5 -11.626 15.580 -20.885 42 1HH2 ARG 5 1HH1 ARG 5 -15.075 15.684 -20.517 43 2HH2 ARG 5 2HH1 ARG 5 -13.730 16.141 -21.509 44 H THR 6 H THR 6 -16.555 9.458 -14.803 45 HA THR 6 HA THR 6 -15.445 11.286 -12.768 46 HB THR 6 HB THR 6 -17.663 12.184 -13.739 47 HG1 THR 6 HG1 THR 6 -16.836 12.856 -11.742 48 1HG2 THR 6 1HG2 THR 6 -18.772 9.952 -13.815 49 2HG2 THR 6 2HG2 THR 6 -19.701 11.145 -12.907 50 3HG2 THR 6 3HG2 THR 6 -18.762 9.921 -12.051 51 HA PRO 7 HA PRO 7 -15.398 7.257 -10.952 52 1HB PRO 7 2HB PRO 7 -14.185 7.965 -8.603 53 2HB PRO 7 1HB PRO 7 -13.321 7.749 -10.136 54 1HG PRO 7 2HG PRO 7 -14.122 10.240 -8.756 55 2HG PRO 7 1HG PRO 7 -12.712 9.908 -9.768 56 1HD PRO 7 2HD PRO 7 -14.964 11.284 -10.599 57 2HD PRO 7 1HD PRO 7 -13.788 10.502 -11.676 58 HA PRO 8 HA PRO 8 -18.070 8.522 -7.176 59 1HB PRO 8 2HB PRO 8 -19.460 10.863 -7.376 60 2HB PRO 8 1HB PRO 8 -17.862 10.751 -6.614 61 1HG PRO 8 2HG PRO 8 -18.607 11.737 -9.312 62 2HG PRO 8 1HG PRO 8 -17.355 12.315 -8.202 63 1HD PRO 8 2HD PRO 8 -16.876 10.738 -10.391 64 2HD PRO 8 1HD PRO 8 -15.815 10.829 -8.975 65 H ASN 9 H ASN 9 -18.717 7.053 -9.356 66 HA ASN 9 HA ASN 9 -21.428 7.901 -10.275 67 1HB ASN 9 2HB ASN 9 -21.037 6.448 -12.087 68 2HB ASN 9 1HB ASN 9 -19.430 7.083 -11.744 69 1HD2 ASN 9 1HD2 ASN 9 -17.877 5.640 -10.687 70 2HD2 ASN 9 2HD2 ASN 9 -18.140 3.965 -10.619 71 H CYS 10 H CYS 10 -23.002 5.951 -10.446 72 HA CYS 10 HA CYS 10 -23.278 4.775 -7.769 73 1HB CYS 10 2HB CYS 10 -25.233 5.637 -8.965 74 2HB CYS 10 1HB CYS 10 -24.862 4.657 -10.345 75 H ALA 11 H ALA 11 -23.148 2.520 -7.324 76 HA ALA 11 HA ALA 11 -21.567 0.952 -9.262 77 1HB ALA 11 1HB ALA 11 -21.455 -0.633 -7.347 78 2HB ALA 11 2HB ALA 11 -22.543 0.426 -6.449 79 3HB ALA 11 3HB ALA 11 -20.937 0.994 -6.908 80 H ARG 12 H ARG 12 -24.735 0.792 -7.662 81 HA ARG 12 HA ARG 12 -25.669 -1.702 -8.446 82 1HB ARG 12 2HB ARG 12 -26.788 0.134 -7.141 83 2HB ARG 12 1HB ARG 12 -27.090 0.971 -8.652 84 1HG ARG 12 2HG ARG 12 -29.001 -0.177 -8.768 85 2HG ARG 12 1HG ARG 12 -28.020 -1.594 -9.139 86 1HD ARG 12 2HD ARG 12 -28.941 -0.704 -6.377 87 2HD ARG 12 1HD ARG 12 -29.457 -2.160 -7.245 88 HE ARG 12 HE ARG 12 -26.549 -1.881 -6.834 89 1HH1 ARG 12 1HH2 ARG 12 -29.168 -3.954 -6.840 90 2HH1 ARG 12 2HH2 ARG 12 -28.646 -4.913 -5.496 91 1HH2 ARG 12 1HH1 ARG 12 -26.031 -2.799 -4.656 92 2HH2 ARG 12 2HH1 ARG 12 -26.873 -4.261 -4.262 93 H CYS 13 H CYS 13 -25.663 1.259 -10.356 94 HA CYS 13 HA CYS 13 -26.522 -0.247 -12.758 95 1HB CYS 13 2HB CYS 13 -26.631 2.038 -13.723 96 2HB CYS 13 1HB CYS 13 -27.408 1.994 -12.162 97 H ARG 14 H ARG 14 -23.512 0.686 -11.294 98 HA ARG 14 HA ARG 14 -21.862 0.938 -13.653 99 1HB ARG 14 2HB ARG 14 -20.416 1.446 -11.989 100 2HB ARG 14 1HB ARG 14 -21.688 1.055 -10.853 101 1HG ARG 14 2HG ARG 14 -19.860 -1.084 -11.977 102 2HG ARG 14 1HG ARG 14 -19.433 -0.167 -10.542 103 1HD ARG 14 2HD ARG 14 -21.395 -1.005 -9.369 104 2HD ARG 14 1HD ARG 14 -21.943 -1.841 -10.825 105 HE ARG 14 HE ARG 14 -20.402 -3.531 -10.289 106 1HH1 ARG 14 1HH2 ARG 14 -19.826 -0.928 -8.225 107 2HH1 ARG 14 2HH2 ARG 14 -18.171 -1.331 -7.905 108 1HH2 ARG 14 1HH1 ARG 14 -18.055 -3.873 -10.260 109 2HH2 ARG 14 2HH1 ARG 14 -17.171 -2.998 -9.054 110 H ASN 15 H ASN 15 -23.355 -1.731 -12.140 111 HA ASN 15 HA ASN 15 -21.489 -3.809 -12.765 112 1HB ASN 15 2HB ASN 15 -24.425 -3.586 -12.136 113 2HB ASN 15 1HB ASN 15 -23.631 -5.143 -12.301 114 1HD2 ASN 15 1HD2 ASN 15 -24.366 -2.687 -10.148 115 2HD2 ASN 15 2HD2 ASN 15 -23.165 -2.929 -8.985 116 H HIS 16 H HIS 16 -24.214 -2.404 -14.445 117 HA HIS 16 HA HIS 16 -24.010 -4.349 -16.664 118 1HB HIS 16 2HB HIS 16 -25.870 -2.045 -16.013 119 2HB HIS 16 1HB HIS 16 -26.120 -3.226 -17.279 120 HD1 HIS 16 HD1 HIS 16 -27.279 -5.357 -16.653 121 HD2 HIS 16 HD2 HIS 16 -25.667 -3.355 -13.375 122 HE1 HIS 16 HE1 HIS 16 -27.990 -6.670 -14.590 123 H GLY 17 H GLY 17 -22.718 -1.320 -15.813 124 1HA GLY 17 2HA GLY 17 -21.002 -0.384 -17.335 125 2HA GLY 17 1HA GLY 17 -22.057 -0.807 -18.685 126 H LEU 18 H LEU 18 -23.200 0.622 -15.694 127 HA LEU 18 HA LEU 18 -24.161 2.963 -17.273 128 1HB LEU 18 2HB LEU 18 -25.374 1.204 -15.554 129 2HB LEU 18 1HB LEU 18 -25.003 2.546 -14.473 130 HG LEU 18 HG LEU 18 -27.218 2.857 -15.465 131 1HD1 LEU 18 1HD1 LEU 18 -25.276 4.727 -15.292 132 2HD1 LEU 18 2HD1 LEU 18 -26.916 5.090 -15.829 133 3HD1 LEU 18 3HD1 LEU 18 -25.636 4.828 -17.015 134 1HD2 LEU 18 1HD2 LEU 18 -25.779 1.987 -17.852 135 2HD2 LEU 18 2HD2 LEU 18 -26.708 3.458 -18.142 136 3HD2 LEU 18 3HD2 LEU 18 -27.515 2.010 -17.539 137 H LYS 19 H LYS 19 -23.810 5.102 -16.424 138 HA LYS 19 HA LYS 19 -22.001 5.448 -14.114 139 1HB LYS 19 2HB LYS 19 -21.388 6.124 -17.003 140 2HB LYS 19 1HB LYS 19 -20.543 6.904 -15.665 141 1HG LYS 19 2HG LYS 19 -20.657 3.922 -16.212 142 2HG LYS 19 1HG LYS 19 -19.253 4.969 -16.430 143 1HD LYS 19 2HD LYS 19 -20.185 5.399 -13.783 144 2HD LYS 19 1HD LYS 19 -20.153 3.654 -14.033 145 1HE LYS 19 2HE LYS 19 -17.780 4.727 -15.210 146 2HE LYS 19 1HE LYS 19 -17.931 5.395 -13.572 147 1HZ LYS 19 1HZ LYS 19 -17.778 2.588 -14.424 148 2HZ LYS 19 2HZ LYS 19 -18.677 2.969 -13.034 149 3HZ LYS 19 3HZ LYS 19 -17.024 3.355 -13.113 150 H ILE 20 H ILE 20 -23.796 6.507 -13.202 151 HA ILE 20 HA ILE 20 -24.877 8.900 -14.598 152 HB ILE 20 HB ILE 20 -26.824 8.358 -13.517 153 1HG1 ILE 20 2HG1 ILE 20 -25.553 8.910 -11.274 154 2HG1 ILE 20 1HG1 ILE 20 -27.120 8.160 -11.308 155 1HG2 ILE 20 1HG2 ILE 20 -26.032 6.246 -14.516 156 2HG2 ILE 20 2HG2 ILE 20 -27.157 6.028 -13.179 157 3HG2 ILE 20 3HG2 ILE 20 -25.431 5.774 -12.930 158 1HD1 ILE 20 1HD1 ILE 20 -24.516 6.679 -11.183 159 2HD1 ILE 20 2HD1 ILE 20 -26.120 5.954 -11.158 160 3HD1 ILE 20 3HD1 ILE 20 -25.591 6.976 -9.830 161 H THR 21 H THR 21 -22.560 8.145 -12.243 162 HA THR 21 HA THR 21 -21.200 9.675 -10.980 163 HB THR 21 HB THR 21 -23.368 11.730 -11.302 164 HG1 THR 21 HG1 THR 21 -21.683 10.637 -13.234 165 1HG2 THR 21 1HG2 THR 21 -20.354 11.995 -11.346 166 2HG2 THR 21 2HG2 THR 21 -21.314 12.101 -9.871 167 3HG2 THR 21 3HG2 THR 21 -21.540 13.287 -11.157 168 H LEU 22 H LEU 22 -24.060 8.354 -10.362 169 HA LEU 22 HA LEU 22 -25.483 8.075 -8.479 170 1HB LEU 22 2HB LEU 22 -23.316 6.942 -8.008 171 2HB LEU 22 1HB LEU 22 -22.751 8.403 -7.207 172 HG LEU 22 HG LEU 22 -23.899 6.359 -5.879 173 1HD1 LEU 22 1HD1 LEU 22 -24.842 8.750 -4.611 174 2HD1 LEU 22 2HD1 LEU 22 -23.289 9.088 -5.376 175 3HD1 LEU 22 3HD1 LEU 22 -23.430 7.773 -4.208 176 1HD2 LEU 22 1HD2 LEU 22 -26.052 6.607 -7.107 177 2HD2 LEU 22 2HD2 LEU 22 -26.200 8.246 -6.473 178 3HD2 LEU 22 3HD2 LEU 22 -26.239 6.871 -5.373 179 H LYS 23 H LYS 23 -24.948 10.944 -9.348 180 HA LYS 23 HA LYS 23 -25.028 12.433 -6.802 181 1HB LYS 23 2HB LYS 23 -24.328 12.920 -9.491 182 2HB LYS 23 1HB LYS 23 -25.771 13.894 -9.207 183 1HG LYS 23 2HG LYS 23 -24.277 14.288 -6.901 184 2HG LYS 23 1HG LYS 23 -23.057 14.255 -8.176 185 1HD LYS 23 2HD LYS 23 -25.567 15.855 -8.581 186 2HD LYS 23 1HD LYS 23 -24.265 16.519 -7.594 187 1HE LYS 23 2HE LYS 23 -22.760 16.593 -9.396 188 2HE LYS 23 1HE LYS 23 -23.658 15.371 -10.317 189 1HZ LYS 23 1HZ LYS 23 -24.127 17.576 -11.178 190 2HZ LYS 23 2HZ LYS 23 -24.622 18.100 -9.640 191 3HZ LYS 23 3HZ LYS 23 -25.520 16.920 -10.468 192 H GLY 24 H GLY 24 -27.006 12.323 -5.698 193 1HA GLY 24 2HA GLY 24 -29.348 12.160 -5.391 194 2HA GLY 24 1HA GLY 24 -29.432 13.330 -6.716 195 H HIS 25 H HIS 25 -28.359 9.951 -6.512 196 HA HIS 25 HA HIS 25 -30.064 9.329 -8.896 197 1HB HIS 25 2HB HIS 25 -27.675 9.325 -9.276 198 2HB HIS 25 1HB HIS 25 -27.409 8.327 -7.855 199 HD1 HIS 25 HD1 HIS 25 -29.393 8.051 -11.112 200 HD2 HIS 25 HD2 HIS 25 -27.031 5.711 -8.607 201 HE1 HIS 25 HE1 HIS 25 -28.969 5.861 -12.304 202 H LYS 26 H LYS 26 -28.438 6.756 -7.270 203 HA LYS 26 HA LYS 26 -29.353 4.800 -6.322 204 1HB LYS 26 2HB LYS 26 -29.105 6.439 -4.469 205 2HB LYS 26 1HB LYS 26 -30.746 7.006 -4.762 206 1HG LYS 26 2HG LYS 26 -31.493 5.391 -3.384 207 2HG LYS 26 1HG LYS 26 -30.919 4.193 -4.547 208 1HD LYS 26 2HD LYS 26 -28.643 5.151 -3.132 209 2HD LYS 26 1HD LYS 26 -29.882 4.775 -1.936 210 1HE LYS 26 2HE LYS 26 -28.869 2.679 -2.206 211 2HE LYS 26 1HE LYS 26 -30.167 2.576 -3.413 212 1HZ LYS 26 1HZ LYS 26 -27.600 2.236 -4.022 213 2HZ LYS 26 2HZ LYS 26 -27.726 3.914 -4.257 214 3HZ LYS 26 3HZ LYS 26 -28.736 2.853 -5.120 215 H ARG 27 H ARG 27 -32.313 6.510 -5.536 216 HA ARG 27 HA ARG 27 -34.089 4.623 -6.586 217 1HB ARG 27 2HB ARG 27 -34.788 6.419 -5.129 218 2HB ARG 27 1HB ARG 27 -34.268 7.637 -6.294 219 1HG ARG 27 2HG ARG 27 -36.061 7.230 -7.727 220 2HG ARG 27 1HG ARG 27 -36.305 5.593 -7.118 221 1HD ARG 27 2HD ARG 27 -38.110 7.055 -6.306 222 2HD ARG 27 1HD ARG 27 -37.085 6.575 -4.939 223 HE ARG 27 HE ARG 27 -36.055 8.972 -6.153 224 1HH1 ARG 27 1HH2 ARG 27 -36.754 8.095 -3.197 225 2HH1 ARG 27 2HH2 ARG 27 -37.789 9.413 -2.758 226 1HH2 ARG 27 1HH1 ARG 27 -38.183 10.541 -6.012 227 2HH2 ARG 27 2HH1 ARG 27 -38.596 10.798 -4.350 228 H TYR 28 H TYR 28 -32.359 7.200 -8.244 229 HA TYR 28 HA TYR 28 -33.854 7.011 -10.745 230 1HB TYR 28 2HB TYR 28 -31.259 8.252 -9.805 231 2HB TYR 28 1HB TYR 28 -31.786 8.368 -11.485 232 HD1 TYR 28 HD1 TYR 28 -33.109 8.896 -8.008 233 HD2 TYR 28 HD2 TYR 28 -33.161 10.137 -12.121 234 HE1 TYR 28 HE1 TYR 28 -34.622 10.773 -7.424 235 HE2 TYR 28 HE2 TYR 28 -34.674 12.013 -11.536 236 HH TYR 28 HH TYR 28 -35.630 12.618 -8.160 237 H CYS 29 H CYS 29 -31.644 4.974 -9.244 238 HA CYS 29 HA CYS 29 -29.971 4.172 -11.451 239 1HB CYS 29 2HB CYS 29 -29.717 3.826 -8.906 240 2HB CYS 29 1HB CYS 29 -30.842 2.487 -9.101 241 H LYS 30 H LYS 30 -30.611 2.976 -13.233 242 HA LYS 30 HA LYS 30 -33.229 1.797 -13.479 243 1HB LYS 30 2HB LYS 30 -31.225 2.426 -15.177 244 2HB LYS 30 1HB LYS 30 -30.888 0.705 -14.987 245 1HG LYS 30 2HG LYS 30 -33.443 0.401 -15.421 246 2HG LYS 30 1HG LYS 30 -33.354 2.029 -16.094 247 1HD LYS 30 2HD LYS 30 -32.047 1.374 -17.877 248 2HD LYS 30 1HD LYS 30 -31.290 0.061 -16.975 249 1HE LYS 30 2HE LYS 30 -34.022 -0.622 -17.090 250 2HE LYS 30 1HE LYS 30 -33.605 -0.048 -18.718 251 1HZ LYS 30 1HZ LYS 30 -33.065 -2.438 -18.296 252 2HZ LYS 30 2HZ LYS 30 -31.914 -1.925 -17.158 253 3HZ LYS 30 3HZ LYS 30 -31.744 -1.499 -18.795 254 H PHE 31 H PHE 31 -30.343 0.892 -11.889 255 HA PHE 31 HA PHE 31 -31.145 -1.972 -11.597 256 1HB PHE 31 2HB PHE 31 -28.569 -0.498 -10.920 257 2HB PHE 31 1HB PHE 31 -28.764 -2.251 -11.039 258 HD1 PHE 31 HD1 PHE 31 -28.765 0.928 -12.930 259 HD2 PHE 31 HD2 PHE 31 -28.851 -3.355 -13.178 260 HE1 PHE 31 HE1 PHE 31 -28.369 1.067 -15.364 261 HE2 PHE 31 HE2 PHE 31 -28.465 -3.221 -15.617 262 HZ PHE 31 HZ PHE 31 -28.215 -1.010 -16.719 263 H ARG 32 H ARG 32 -31.738 0.880 -10.115 264 HA ARG 32 HA ARG 32 -30.978 0.904 -7.485 265 1HB ARG 32 2HB ARG 32 -32.891 2.220 -7.143 266 2HB ARG 32 1HB ARG 32 -32.682 2.319 -8.887 267 1HG ARG 32 2HG ARG 32 -34.472 0.266 -7.569 268 2HG ARG 32 1HG ARG 32 -35.052 1.841 -8.091 269 1HD ARG 32 2HD ARG 32 -33.528 0.581 -10.221 270 2HD ARG 32 1HD ARG 32 -34.855 -0.463 -9.692 271 HE ARG 32 HE ARG 32 -36.123 1.922 -9.782 272 1HH1 ARG 32 1HH2 ARG 32 -36.607 0.079 -12.032 273 2HH1 ARG 32 2HH2 ARG 32 -36.082 0.996 -13.404 274 1HH2 ARG 32 1HH1 ARG 32 -34.269 3.274 -11.521 275 2HH2 ARG 32 2HH1 ARG 32 -34.757 2.805 -13.115 276 H TYR 33 H TYR 33 -33.102 -1.379 -9.029 277 HA TYR 33 HA TYR 33 -33.309 -2.886 -6.436 278 1HB TYR 33 2HB TYR 33 -35.341 -2.474 -8.651 279 2HB TYR 33 1HB TYR 33 -35.560 -3.617 -7.326 280 HD1 TYR 33 HD1 TYR 33 -37.038 -0.870 -8.182 281 HD2 TYR 33 HD2 TYR 33 -34.268 -2.028 -5.108 282 HE1 TYR 33 HE1 TYR 33 -37.865 0.972 -6.741 283 HE2 TYR 33 HE2 TYR 33 -35.092 -0.185 -3.671 284 HH TYR 33 HH TYR 33 -36.346 1.682 -3.615 285 H CYS 34 H CYS 34 -31.534 -3.015 -9.002 286 HA CYS 34 HA CYS 34 -32.158 -5.404 -10.438 287 1HB CYS 34 2HB CYS 34 -30.453 -3.618 -11.014 288 2HB CYS 34 1HB CYS 34 -29.439 -4.270 -9.728 289 H THR 35 H THR 35 -30.791 -7.449 -10.229 290 HA THR 35 HA THR 35 -29.946 -8.053 -7.437 291 HB THR 35 HB THR 35 -31.370 -10.262 -7.937 292 HG1 THR 35 HG1 THR 35 -33.270 -9.605 -9.068 293 1HG2 THR 35 1HG2 THR 35 -31.613 -8.218 -6.228 294 2HG2 THR 35 2HG2 THR 35 -32.869 -9.445 -6.394 295 3HG2 THR 35 3HG2 THR 35 -33.035 -7.896 -7.218 296 H CYS 36 H CYS 36 -29.147 -8.120 -10.647 297 HA CYS 36 HA CYS 36 -28.235 -10.676 -11.291 298 1HB CYS 36 2HB CYS 36 -26.676 -9.537 -12.720 299 2HB CYS 36 1HB CYS 36 -28.106 -8.512 -12.608 300 H GLU 37 H GLU 37 -25.777 -11.379 -11.122 301 HA GLU 37 HA GLU 37 -25.093 -11.424 -8.272 302 1HB GLU 37 2HB GLU 37 -24.944 -13.248 -10.150 303 2HB GLU 37 1HB GLU 37 -23.390 -12.494 -10.508 304 1HG GLU 37 2HG GLU 37 -22.464 -13.617 -8.795 305 2HG GLU 37 1HG GLU 37 -23.554 -12.791 -7.681 306 H LYS 38 H LYS 38 -24.530 -9.073 -10.499 307 HA LYS 38 HA LYS 38 -21.736 -8.512 -9.571 308 1HB LYS 38 2HB LYS 38 -23.304 -7.107 -11.752 309 2HB LYS 38 1HB LYS 38 -21.553 -7.208 -11.564 310 1HG LYS 38 2HG LYS 38 -22.459 -9.876 -11.678 311 2HG LYS 38 1HG LYS 38 -23.333 -9.019 -12.948 312 1HD LYS 38 2HD LYS 38 -20.410 -8.472 -12.672 313 2HD LYS 38 1HD LYS 38 -20.890 -10.018 -13.369 314 1HE LYS 38 2HE LYS 38 -22.554 -8.088 -14.597 315 2HE LYS 38 1HE LYS 38 -20.912 -7.412 -14.616 316 1HZ LYS 38 1HZ LYS 38 -21.541 -9.053 -16.464 317 2HZ LYS 38 2HZ LYS 38 -21.399 -10.251 -15.268 318 3HZ LYS 38 3HZ LYS 38 -20.061 -9.284 -15.669 319 H CYS 39 H CYS 39 -25.023 -7.570 -9.337 320 HA CYS 39 HA CYS 39 -24.470 -4.878 -8.244 321 1HB CYS 39 2HB CYS 39 -26.772 -6.565 -9.129 322 2HB CYS 39 1HB CYS 39 -27.109 -5.433 -7.832 323 H ARG 40 H ARG 40 -25.499 -8.139 -7.325 324 HA ARG 40 HA ARG 40 -25.842 -7.570 -4.495 325 1HB ARG 40 2HB ARG 40 -25.707 -9.968 -6.309 326 2HB ARG 40 1HB ARG 40 -25.644 -10.205 -4.563 327 1HG ARG 40 2HG ARG 40 -27.744 -8.765 -4.421 328 2HG ARG 40 1HG ARG 40 -27.854 -8.915 -6.176 329 1HD ARG 40 2HD ARG 40 -29.166 -10.734 -5.469 330 2HD ARG 40 1HD ARG 40 -27.577 -11.506 -5.654 331 HE ARG 40 HE ARG 40 -28.618 -10.490 -3.035 332 1HH1 ARG 40 1HH2 ARG 40 -28.605 -13.452 -3.899 333 2HH1 ARG 40 2HH2 ARG 40 -27.204 -14.020 -3.051 334 1HH2 ARG 40 1HH1 ARG 40 -25.981 -10.840 -2.403 335 2HH2 ARG 40 2HH1 ARG 40 -25.716 -12.541 -2.209 336 H LEU 41 H LEU 41 -23.326 -8.788 -6.620 337 HA LEU 41 HA LEU 41 -21.409 -9.573 -4.639 338 1HB LEU 41 2HB LEU 41 -20.912 -10.370 -6.754 339 2HB LEU 41 1HB LEU 41 -21.542 -8.927 -7.544 340 HG LEU 41 HG LEU 41 -19.551 -7.679 -7.019 341 1HD1 LEU 41 1HD1 LEU 41 -19.361 -9.371 -4.832 342 2HD1 LEU 41 2HD1 LEU 41 -18.132 -8.208 -5.329 343 3HD1 LEU 41 3HD1 LEU 41 -18.016 -9.890 -5.847 344 1HD2 LEU 41 1HD2 LEU 41 -19.508 -9.302 -8.957 345 2HD2 LEU 41 2HD2 LEU 41 -18.669 -10.440 -7.904 346 3HD2 LEU 41 3HD2 LEU 41 -17.917 -8.898 -8.313 347 H THR 42 H THR 42 -22.256 -6.512 -6.130 348 HA THR 42 HA THR 42 -19.981 -5.003 -5.152 349 HB THR 42 HB THR 42 -22.734 -4.378 -6.210 350 HG1 THR 42 HG1 THR 42 -20.455 -4.994 -7.321 351 1HG2 THR 42 1HG2 THR 42 -22.038 -2.617 -4.599 352 2HG2 THR 42 2HG2 THR 42 -22.100 -2.014 -6.255 353 3HG2 THR 42 3HG2 THR 42 -20.546 -2.398 -5.513 354 H ALA 43 H ALA 43 -23.403 -4.673 -4.282 355 HA ALA 43 HA ALA 43 -23.243 -3.239 -1.924 356 1HB ALA 43 1HB ALA 43 -24.939 -5.697 -2.504 357 2HB ALA 43 2HB ALA 43 -25.316 -4.052 -3.013 358 3HB ALA 43 3HB ALA 43 -25.315 -4.466 -1.299 359 H ASP 44 H ASP 44 -22.342 -6.571 -2.492 360 HA ASP 44 HA ASP 44 -22.019 -7.336 0.295 361 1HB ASP 44 2HB ASP 44 -22.403 -8.737 -1.848 362 2HB ASP 44 1HB ASP 44 -20.679 -8.515 -2.148 363 H ARG 45 H ARG 45 -19.827 -6.316 -2.330 364 HA ARG 45 HA ARG 45 -17.345 -6.525 -1.014 365 1HB ARG 45 2HB ARG 45 -18.425 -5.497 -3.392 366 2HB ARG 45 1HB ARG 45 -17.607 -4.124 -2.645 367 1HG ARG 45 2HG ARG 45 -15.795 -6.160 -2.250 368 2HG ARG 45 1HG ARG 45 -16.466 -6.561 -3.830 369 1HD ARG 45 2HD ARG 45 -15.415 -3.807 -3.091 370 2HD ARG 45 1HD ARG 45 -14.486 -5.025 -3.988 371 HE ARG 45 HE ARG 45 -16.925 -4.870 -5.332 372 1HH1 ARG 45 1HH2 ARG 45 -14.372 -4.119 -6.661 373 2HH1 ARG 45 2HH2 ARG 45 -14.615 -2.442 -7.023 374 1HH2 ARG 45 1HH1 ARG 45 -17.273 -2.082 -4.826 375 2HH2 ARG 45 2HH1 ARG 45 -16.256 -1.289 -5.981 376 H GLN 46 H GLN 46 -19.751 -3.896 -0.890 377 HA GLN 46 HA GLN 46 -18.082 -2.198 0.811 378 1HB GLN 46 2HB GLN 46 -20.008 -1.676 -0.915 379 2HB GLN 46 1HB GLN 46 -21.057 -1.939 0.478 380 1HG GLN 46 2HG GLN 46 -19.146 -0.335 1.579 381 2HG GLN 46 1HG GLN 46 -19.177 0.278 -0.074 382 1HE2 GLN 46 1HE2 GLN 46 -20.834 1.739 -0.557 383 2HE2 GLN 46 2HE2 GLN 46 -22.224 1.970 0.390 384 H ARG 47 H ARG 47 -20.382 -4.767 1.314 385 HA ARG 47 HA ARG 47 -21.352 -4.130 3.913 386 1HB ARG 47 2HB ARG 47 -21.954 -5.989 2.191 387 2HB ARG 47 1HB ARG 47 -20.665 -6.911 2.968 388 1HG ARG 47 2HG ARG 47 -22.647 -7.526 4.128 389 2HG ARG 47 1HG ARG 47 -21.833 -6.374 5.188 390 1HD ARG 47 2HD ARG 47 -23.362 -4.655 4.712 391 2HD ARG 47 1HD ARG 47 -23.867 -5.401 3.182 392 HE ARG 47 HE ARG 47 -25.219 -6.952 4.416 393 1HH1 ARG 47 1HH2 ARG 47 -23.025 -7.055 6.656 394 2HH1 ARG 47 2HH2 ARG 47 -23.969 -6.520 8.006 395 1HH2 ARG 47 1HH1 ARG 47 -26.574 -5.329 6.053 396 2HH2 ARG 47 2HH1 ARG 47 -25.978 -5.543 7.665 397 H VAL 48 H VAL 48 -19.927 -3.554 5.544 398 HA VAL 48 HA VAL 48 -17.856 -5.552 6.311 399 HB VAL 48 HB VAL 48 -17.405 -2.599 5.764 400 1HG1 VAL 48 1HG1 VAL 48 -14.961 -3.396 6.268 401 2HG1 VAL 48 2HG1 VAL 48 -15.755 -4.694 7.158 402 3HG1 VAL 48 3HG1 VAL 48 -16.030 -3.013 7.617 403 1HG2 VAL 48 1HG2 VAL 48 -16.627 -5.172 4.408 404 2HG2 VAL 48 2HG2 VAL 48 -15.600 -3.747 4.248 405 3HG2 VAL 48 3HG2 VAL 48 -17.273 -3.695 3.693 406 H MET 49 H MET 49 -18.601 -6.015 8.369 407 HA MET 49 HA MET 49 -19.229 -3.685 10.157 408 1HB MET 49 2HB MET 49 -20.982 -5.030 11.110 409 2HB MET 49 1HB MET 49 -21.148 -5.157 9.358 410 1HG MET 49 2HG MET 49 -19.859 -7.283 9.414 411 2HG MET 49 1HG MET 49 -19.779 -7.168 11.173 412 1HE MET 49 1HE MET 49 -20.839 -9.432 9.249 413 2HE MET 49 2HE MET 49 -22.331 -10.023 9.978 414 3HE MET 49 3HE MET 49 -20.912 -9.754 10.988 415 H ALA 50 H ALA 50 -17.086 -6.208 9.600 416 HA ALA 50 HA ALA 50 -16.365 -6.327 12.513 417 1HB ALA 50 1HB ALA 50 -17.310 -8.363 10.874 418 2HB ALA 50 2HB ALA 50 -16.428 -8.593 12.384 419 3HB ALA 50 3HB ALA 50 -15.563 -8.603 10.847 420 H LEU 51 H LEU 51 -15.110 -6.767 9.185 421 HA LEU 51 HA LEU 51 -12.329 -6.447 10.038 422 1HB LEU 51 2HB LEU 51 -13.832 -6.693 7.428 423 2HB LEU 51 1HB LEU 51 -12.093 -6.397 7.456 424 HG LEU 51 HG LEU 51 -12.090 -8.421 9.155 425 1HD1 LEU 51 1HD1 LEU 51 -13.882 -10.073 8.164 426 2HD1 LEU 51 2HD1 LEU 51 -14.740 -8.590 7.745 427 3HD1 LEU 51 3HD1 LEU 51 -14.352 -8.939 9.431 428 1HD2 LEU 51 1HD2 LEU 51 -11.893 -9.970 7.149 429 2HD2 LEU 51 2HD2 LEU 51 -10.895 -8.518 7.069 430 3HD2 LEU 51 3HD2 LEU 51 -12.395 -8.610 6.147 431 H GLN 52 H GLN 52 -12.391 -4.303 11.041 432 HA GLN 52 HA GLN 52 -13.122 -1.994 9.339 433 1HB GLN 52 2HB GLN 52 -13.450 -2.473 11.937 434 2HB GLN 52 1HB GLN 52 -11.823 -1.797 12.034 435 1HG GLN 52 2HG GLN 52 -12.706 0.152 10.626 436 2HG GLN 52 1HG GLN 52 -14.321 -0.478 10.955 437 1HE2 GLN 52 1HE2 GLN 52 -11.380 0.770 12.580 438 2HE2 GLN 52 2HE2 GLN 52 -12.178 1.246 14.001 Start of MODEL 8 1 1H SER 1 1H SER 1 -22.044 10.673 -20.819 2 2H SER 1 2H SER 1 -20.670 11.664 -20.934 3 3H SER 1 3H SER 1 -20.496 9.991 -20.699 4 HA SER 1 HA SER 1 -21.939 10.025 -22.965 5 1HB SER 1 2HB SER 1 -20.193 12.491 -22.756 6 2HB SER 1 1HB SER 1 -20.767 11.858 -24.295 7 HG SER 1 HG SER 1 -22.786 12.391 -23.778 8 H ILE 2 H ILE 2 -20.527 8.067 -22.193 9 HA ILE 2 HA ILE 2 -18.701 6.625 -22.605 10 HB ILE 2 HB ILE 2 -18.456 8.462 -25.010 11 1HG1 ILE 2 2HG1 ILE 2 -20.789 7.619 -24.567 12 2HG1 ILE 2 1HG1 ILE 2 -20.100 7.031 -26.082 13 1HG2 ILE 2 1HG2 ILE 2 -17.271 5.885 -24.207 14 2HG2 ILE 2 2HG2 ILE 2 -16.723 7.046 -25.417 15 3HG2 ILE 2 3HG2 ILE 2 -17.982 5.878 -25.821 16 1HD1 ILE 2 1HD1 ILE 2 -19.664 4.884 -25.184 17 2HD1 ILE 2 2HD1 ILE 2 -21.264 5.294 -24.567 18 3HD1 ILE 2 3HD1 ILE 2 -19.850 5.448 -23.524 19 H SER 3 H SER 3 -18.199 9.075 -21.009 20 HA SER 3 HA SER 3 -15.257 9.044 -21.160 21 1HB SER 3 2HB SER 3 -15.547 11.714 -21.190 22 2HB SER 3 1HB SER 3 -15.425 10.778 -22.677 23 HG SER 3 HG SER 3 -17.914 11.207 -21.422 24 HA PRO 4 HA PRO 4 -17.379 9.767 -17.040 25 1HB PRO 4 2HB PRO 4 -16.595 7.428 -15.855 26 2HB PRO 4 1HB PRO 4 -18.104 7.590 -16.776 27 1HG PRO 4 2HG PRO 4 -15.499 6.412 -17.600 28 2HG PRO 4 1HG PRO 4 -17.146 5.883 -17.974 29 1HD PRO 4 2HD PRO 4 -15.568 7.265 -19.722 30 2HD PRO 4 1HD PRO 4 -17.344 7.316 -19.744 31 H ARG 5 H ARG 5 -15.569 11.376 -17.041 32 HA ARG 5 HA ARG 5 -12.925 10.447 -16.112 33 1HB ARG 5 2HB ARG 5 -13.289 12.281 -17.779 34 2HB ARG 5 1HB ARG 5 -14.073 13.229 -16.513 35 1HG ARG 5 2HG ARG 5 -11.704 12.442 -15.315 36 2HG ARG 5 1HG ARG 5 -11.219 12.755 -16.983 37 1HD ARG 5 2HD ARG 5 -12.917 14.886 -16.402 38 2HD ARG 5 1HD ARG 5 -11.985 14.665 -14.907 39 HE ARG 5 HE ARG 5 -10.495 14.624 -17.475 40 1HH1 ARG 5 1HH2 ARG 5 -9.986 15.136 -14.306 41 2HH1 ARG 5 2HH2 ARG 5 -9.296 16.718 -14.439 42 1HH2 ARG 5 1HH1 ARG 5 -10.204 17.126 -17.759 43 2HH2 ARG 5 2HH1 ARG 5 -9.415 17.843 -16.393 44 H THR 6 H THR 6 -15.103 9.865 -14.314 45 HA THR 6 HA THR 6 -14.204 11.429 -11.947 46 HB THR 6 HB THR 6 -16.299 12.363 -13.152 47 HG1 THR 6 HG1 THR 6 -15.691 12.802 -10.962 48 1HG2 THR 6 1HG2 THR 6 -18.356 11.225 -12.894 49 2HG2 THR 6 2HG2 THR 6 -17.683 10.105 -11.710 50 3HG2 THR 6 3HG2 THR 6 -17.226 9.972 -13.408 51 HA PRO 7 HA PRO 7 -14.299 7.276 -10.438 52 1HB PRO 7 2HB PRO 7 -13.611 7.838 -7.847 53 2HB PRO 7 1HB PRO 7 -12.453 7.788 -9.189 54 1HG PRO 7 2HG PRO 7 -13.651 10.118 -7.818 55 2HG PRO 7 1HG PRO 7 -12.056 9.932 -8.552 56 1HD PRO 7 2HD PRO 7 -14.179 11.276 -9.711 57 2HD PRO 7 1HD PRO 7 -12.775 10.633 -10.588 58 HA PRO 8 HA PRO 8 -17.723 8.098 -7.182 59 1HB PRO 8 2HB PRO 8 -19.179 10.394 -7.481 60 2HB PRO 8 1HB PRO 8 -17.759 10.280 -6.421 61 1HG PRO 8 2HG PRO 8 -18.006 11.458 -9.133 62 2HG PRO 8 1HG PRO 8 -17.035 11.990 -7.754 63 1HD PRO 8 2HD PRO 8 -16.043 10.627 -9.906 64 2HD PRO 8 1HD PRO 8 -15.294 10.634 -8.302 65 H ASN 9 H ASN 9 -19.515 6.939 -7.746 66 HA ASN 9 HA ASN 9 -21.422 7.655 -9.776 67 1HB ASN 9 2HB ASN 9 -20.757 6.003 -11.476 68 2HB ASN 9 1HB ASN 9 -19.470 7.184 -11.221 69 1HD2 ASN 9 1HD2 ASN 9 -17.714 5.760 -11.779 70 2HD2 ASN 9 2HD2 ASN 9 -17.304 4.408 -10.837 71 H CYS 10 H CYS 10 -23.067 6.019 -9.968 72 HA CYS 10 HA CYS 10 -23.453 4.469 -7.551 73 1HB CYS 10 2HB CYS 10 -25.274 5.520 -8.843 74 2HB CYS 10 1HB CYS 10 -24.870 4.551 -10.224 75 H ALA 11 H ALA 11 -22.837 2.330 -7.216 76 HA ALA 11 HA ALA 11 -21.486 0.956 -9.411 77 1HB ALA 11 1HB ALA 11 -20.539 0.890 -7.177 78 2HB ALA 11 2HB ALA 11 -21.040 -0.742 -7.619 79 3HB ALA 11 3HB ALA 11 -22.038 0.222 -6.531 80 H ARG 12 H ARG 12 -24.600 0.907 -7.924 81 HA ARG 12 HA ARG 12 -25.495 -1.734 -8.514 82 1HB ARG 12 2HB ARG 12 -26.602 0.098 -7.184 83 2HB ARG 12 1HB ARG 12 -26.960 0.916 -8.696 84 1HG ARG 12 2HG ARG 12 -28.779 -0.338 -8.964 85 2HG ARG 12 1HG ARG 12 -27.786 -1.795 -8.956 86 1HD ARG 12 2HD ARG 12 -29.093 -0.429 -6.583 87 2HD ARG 12 1HD ARG 12 -29.307 -2.101 -7.136 88 HE ARG 12 HE ARG 12 -26.784 -2.339 -6.615 89 1HH1 ARG 12 1HH2 ARG 12 -27.917 0.596 -5.484 90 2HH1 ARG 12 2HH2 ARG 12 -27.425 0.362 -3.839 91 1HH2 ARG 12 1HH1 ARG 12 -26.558 -2.965 -4.295 92 2HH2 ARG 12 2HH1 ARG 12 -26.655 -1.654 -3.167 93 H CYS 13 H CYS 13 -25.650 1.227 -10.428 94 HA CYS 13 HA CYS 13 -26.671 -0.243 -12.741 95 1HB CYS 13 2HB CYS 13 -26.700 2.070 -13.716 96 2HB CYS 13 1HB CYS 13 -27.482 1.977 -12.155 97 H ARG 14 H ARG 14 -23.385 0.737 -11.709 98 HA ARG 14 HA ARG 14 -22.275 0.757 -14.398 99 1HB ARG 14 2HB ARG 14 -20.120 0.216 -13.176 100 2HB ARG 14 1HB ARG 14 -20.968 1.634 -12.566 101 1HG ARG 14 2HG ARG 14 -20.293 0.341 -10.660 102 2HG ARG 14 1HG ARG 14 -22.020 0.153 -10.846 103 1HD ARG 14 2HD ARG 14 -21.820 -2.083 -11.000 104 2HD ARG 14 1HD ARG 14 -20.646 -1.921 -12.317 105 HE ARG 14 HE ARG 14 -19.703 -1.395 -9.548 106 1HH1 ARG 14 1HH2 ARG 14 -18.753 -2.309 -12.595 107 2HH1 ARG 14 2HH2 ARG 14 -17.797 -3.666 -12.102 108 1HH2 ARG 14 1HH1 ARG 14 -18.900 -3.594 -8.818 109 2HH2 ARG 14 2HH1 ARG 14 -17.881 -4.393 -9.968 110 H ASN 15 H ASN 15 -23.198 -1.747 -12.201 111 HA ASN 15 HA ASN 15 -21.741 -3.972 -12.910 112 1HB ASN 15 2HB ASN 15 -24.661 -3.486 -12.351 113 2HB ASN 15 1HB ASN 15 -24.014 -5.116 -12.477 114 1HD2 ASN 15 1HD2 ASN 15 -24.816 -2.893 -10.247 115 2HD2 ASN 15 2HD2 ASN 15 -23.631 -3.158 -9.067 116 H HIS 16 H HIS 16 -24.331 -2.427 -14.649 117 HA HIS 16 HA HIS 16 -24.182 -4.416 -16.848 118 1HB HIS 16 2HB HIS 16 -26.082 -2.171 -16.126 119 2HB HIS 16 1HB HIS 16 -26.343 -3.348 -17.395 120 HD1 HIS 16 HD1 HIS 16 -27.124 -5.679 -16.758 121 HD2 HIS 16 HD2 HIS 16 -26.002 -3.346 -13.497 122 HE1 HIS 16 HE1 HIS 16 -27.738 -7.010 -14.676 123 H GLY 17 H GLY 17 -22.986 -1.307 -16.056 124 1HA GLY 17 2HA GLY 17 -21.300 -0.427 -17.692 125 2HA GLY 17 1HA GLY 17 -22.464 -0.801 -18.964 126 H LEU 18 H LEU 18 -23.384 0.591 -15.886 127 HA LEU 18 HA LEU 18 -24.336 3.007 -17.356 128 1HB LEU 18 2HB LEU 18 -25.551 1.213 -15.677 129 2HB LEU 18 1HB LEU 18 -25.120 2.500 -14.552 130 HG LEU 18 HG LEU 18 -27.367 2.852 -15.531 131 1HD1 LEU 18 1HD1 LEU 18 -27.023 5.087 -15.547 132 2HD1 LEU 18 2HD1 LEU 18 -25.875 4.990 -16.882 133 3HD1 LEU 18 3HD1 LEU 18 -25.338 4.677 -15.232 134 1HD2 LEU 18 1HD2 LEU 18 -26.596 3.688 -18.158 135 2HD2 LEU 18 2HD2 LEU 18 -27.715 2.402 -17.711 136 3HD2 LEU 18 3HD2 LEU 18 -25.999 2.047 -17.910 137 H LYS 19 H LYS 19 -23.940 5.108 -16.390 138 HA LYS 19 HA LYS 19 -22.011 5.309 -14.160 139 1HB LYS 19 2HB LYS 19 -21.086 5.139 -16.722 140 2HB LYS 19 1HB LYS 19 -21.327 6.881 -16.583 141 1HG LYS 19 2HG LYS 19 -19.050 6.247 -15.873 142 2HG LYS 19 1HG LYS 19 -19.972 6.912 -14.525 143 1HD LYS 19 2HD LYS 19 -19.990 4.934 -13.396 144 2HD LYS 19 1HD LYS 19 -20.233 3.990 -14.866 145 1HE LYS 19 2HE LYS 19 -17.643 5.091 -15.105 146 2HE LYS 19 1HE LYS 19 -17.765 4.489 -13.441 147 1HZ LYS 19 1HZ LYS 19 -18.338 2.376 -14.152 148 2HZ LYS 19 2HZ LYS 19 -17.175 2.829 -15.306 149 3HZ LYS 19 3HZ LYS 19 -18.829 2.902 -15.688 150 H ILE 20 H ILE 20 -23.733 6.374 -13.093 151 HA ILE 20 HA ILE 20 -24.779 8.872 -14.335 152 HB ILE 20 HB ILE 20 -26.746 8.272 -13.367 153 1HG1 ILE 20 2HG1 ILE 20 -25.561 8.862 -11.084 154 2HG1 ILE 20 1HG1 ILE 20 -27.128 8.107 -11.157 155 1HG2 ILE 20 1HG2 ILE 20 -25.933 6.142 -14.290 156 2HG2 ILE 20 2HG2 ILE 20 -27.092 5.944 -12.981 157 3HG2 ILE 20 3HG2 ILE 20 -25.372 5.699 -12.683 158 1HD1 ILE 20 1HD1 ILE 20 -25.654 6.939 -9.617 159 2HD1 ILE 20 2HD1 ILE 20 -24.525 6.633 -10.925 160 3HD1 ILE 20 3HD1 ILE 20 -26.127 5.904 -10.952 161 H THR 21 H THR 21 -22.423 7.935 -12.105 162 HA THR 21 HA THR 21 -21.025 9.336 -10.755 163 HB THR 21 HB THR 21 -23.081 11.517 -10.998 164 HG1 THR 21 HG1 THR 21 -21.235 10.667 -12.975 165 1HG2 THR 21 1HG2 THR 21 -21.083 11.902 -9.621 166 2HG2 THR 21 2HG2 THR 21 -21.043 12.921 -11.060 167 3HG2 THR 21 3HG2 THR 21 -20.050 11.466 -10.982 168 H LEU 22 H LEU 22 -24.073 8.289 -10.182 169 HA LEU 22 HA LEU 22 -25.398 7.904 -8.255 170 1HB LEU 22 2HB LEU 22 -23.554 6.666 -7.529 171 2HB LEU 22 1HB LEU 22 -22.530 8.090 -7.370 172 HG LEU 22 HG LEU 22 -23.748 8.815 -5.399 173 1HD1 LEU 22 1HD1 LEU 22 -25.457 6.334 -5.604 174 2HD1 LEU 22 2HD1 LEU 22 -25.958 7.854 -6.345 175 3HD1 LEU 22 3HD1 LEU 22 -25.714 7.761 -4.600 176 1HD2 LEU 22 1HD2 LEU 22 -21.976 7.098 -5.100 177 2HD2 LEU 22 2HD2 LEU 22 -23.199 5.836 -5.247 178 3HD2 LEU 22 3HD2 LEU 22 -23.245 6.954 -3.884 179 H LYS 23 H LYS 23 -24.565 10.881 -9.079 180 HA LYS 23 HA LYS 23 -24.791 12.343 -6.571 181 1HB LYS 23 2HB LYS 23 -24.925 12.953 -9.522 182 2HB LYS 23 1HB LYS 23 -25.331 14.202 -8.344 183 1HG LYS 23 2HG LYS 23 -22.762 12.622 -8.167 184 2HG LYS 23 1HG LYS 23 -22.882 14.105 -9.116 185 1HD LYS 23 2HD LYS 23 -22.387 15.177 -7.181 186 2HD LYS 23 1HD LYS 23 -24.057 14.833 -6.726 187 1HE LYS 23 2HE LYS 23 -22.956 13.874 -4.913 188 2HE LYS 23 1HE LYS 23 -22.964 12.481 -6.014 189 1HZ LYS 23 1HZ LYS 23 -20.727 12.738 -5.434 190 2HZ LYS 23 2HZ LYS 23 -20.791 14.432 -5.539 191 3HZ LYS 23 3HZ LYS 23 -20.841 13.490 -6.951 192 H GLY 24 H GLY 24 -26.726 12.143 -5.416 193 1HA GLY 24 2HA GLY 24 -29.053 11.910 -5.044 194 2HA GLY 24 1HA GLY 24 -29.190 13.160 -6.292 195 H HIS 25 H HIS 25 -28.307 9.711 -6.154 196 HA HIS 25 HA HIS 25 -29.958 9.274 -8.620 197 1HB HIS 25 2HB HIS 25 -27.562 9.182 -8.948 198 2HB HIS 25 1HB HIS 25 -27.374 8.101 -7.573 199 HD1 HIS 25 HD1 HIS 25 -29.346 8.062 -10.859 200 HD2 HIS 25 HD2 HIS 25 -27.065 5.538 -8.465 201 HE1 HIS 25 HE1 HIS 25 -28.999 5.911 -12.150 202 H LYS 26 H LYS 26 -28.506 6.536 -7.115 203 HA LYS 26 HA LYS 26 -29.538 4.593 -6.265 204 1HB LYS 26 2HB LYS 26 -30.697 6.881 -4.641 205 2HB LYS 26 1HB LYS 26 -30.822 5.187 -4.164 206 1HG LYS 26 2HG LYS 26 -28.271 5.094 -4.382 207 2HG LYS 26 1HG LYS 26 -28.319 6.855 -4.461 208 1HD LYS 26 2HD LYS 26 -27.954 6.223 -2.153 209 2HD LYS 26 1HD LYS 26 -29.598 6.849 -2.295 210 1HE LYS 26 2HE LYS 26 -29.591 4.005 -2.841 211 2HE LYS 26 1HE LYS 26 -28.845 4.331 -1.262 212 1HZ LYS 26 1HZ LYS 26 -31.484 5.275 -2.240 213 2HZ LYS 26 2HZ LYS 26 -30.728 5.902 -0.853 214 3HZ LYS 26 3HZ LYS 26 -31.179 4.265 -0.913 215 H ARG 27 H ARG 27 -32.386 6.449 -5.426 216 HA ARG 27 HA ARG 27 -34.295 4.750 -6.546 217 1HB ARG 27 2HB ARG 27 -34.465 6.878 -5.063 218 2HB ARG 27 1HB ARG 27 -34.548 7.762 -6.587 219 1HG ARG 27 2HG ARG 27 -36.779 7.363 -6.470 220 2HG ARG 27 1HG ARG 27 -36.357 5.738 -7.012 221 1HD ARG 27 2HD ARG 27 -37.367 5.042 -5.087 222 2HD ARG 27 1HD ARG 27 -35.896 5.615 -4.275 223 HE ARG 27 HE ARG 27 -38.477 6.961 -4.243 224 1HH1 ARG 27 1HH2 ARG 27 -36.338 7.042 -2.088 225 2HH1 ARG 27 2HH2 ARG 27 -35.818 8.692 -2.186 226 1HH2 ARG 27 1HH1 ARG 27 -37.260 9.238 -5.293 227 2HH2 ARG 27 2HH1 ARG 27 -36.338 9.935 -4.002 228 H TYR 28 H TYR 28 -32.206 7.033 -8.160 229 HA TYR 28 HA TYR 28 -33.731 6.915 -10.702 230 1HB TYR 28 2HB TYR 28 -31.105 8.238 -9.939 231 2HB TYR 28 1HB TYR 28 -32.061 8.578 -11.385 232 HD1 TYR 28 HD1 TYR 28 -31.312 10.722 -9.454 233 HD2 TYR 28 HD2 TYR 28 -34.705 8.092 -9.526 234 HE1 TYR 28 HE1 TYR 28 -32.633 12.392 -8.183 235 HE2 TYR 28 HE2 TYR 28 -36.026 9.763 -8.256 236 HH TYR 28 HH TYR 28 -34.806 12.986 -7.640 237 H CYS 29 H CYS 29 -32.058 4.630 -9.327 238 HA CYS 29 HA CYS 29 -29.994 4.130 -11.389 239 1HB CYS 29 2HB CYS 29 -29.743 3.744 -8.885 240 2HB CYS 29 1HB CYS 29 -30.886 2.417 -9.060 241 H LYS 30 H LYS 30 -30.713 3.150 -13.291 242 HA LYS 30 HA LYS 30 -33.160 1.764 -13.652 243 1HB LYS 30 2HB LYS 30 -30.794 2.357 -15.086 244 2HB LYS 30 1HB LYS 30 -30.973 0.604 -15.174 245 1HG LYS 30 2HG LYS 30 -33.537 1.891 -15.555 246 2HG LYS 30 1HG LYS 30 -32.357 2.527 -16.702 247 1HD LYS 30 2HD LYS 30 -31.745 0.182 -17.309 248 2HD LYS 30 1HD LYS 30 -33.031 -0.395 -16.248 249 1HE LYS 30 2HE LYS 30 -33.712 1.651 -18.340 250 2HE LYS 30 1HE LYS 30 -33.531 -0.048 -18.821 251 1HZ LYS 30 1HZ LYS 30 -35.786 0.323 -18.109 252 2HZ LYS 30 2HZ LYS 30 -35.260 0.999 -16.643 253 3HZ LYS 30 3HZ LYS 30 -35.005 -0.650 -16.962 254 H PHE 31 H PHE 31 -30.235 0.883 -12.067 255 HA PHE 31 HA PHE 31 -30.999 -1.990 -11.807 256 1HB PHE 31 2HB PHE 31 -28.448 -0.436 -11.189 257 2HB PHE 31 1HB PHE 31 -28.568 -2.200 -11.264 258 HD1 PHE 31 HD1 PHE 31 -28.753 0.935 -13.214 259 HD2 PHE 31 HD2 PHE 31 -28.745 -3.353 -13.382 260 HE1 PHE 31 HE1 PHE 31 -28.497 1.039 -15.668 261 HE2 PHE 31 HE2 PHE 31 -28.504 -3.255 -15.841 262 HZ PHE 31 HZ PHE 31 -28.368 -1.060 -16.994 263 H ARG 32 H ARG 32 -31.940 0.635 -10.350 264 HA ARG 32 HA ARG 32 -31.153 0.792 -7.687 265 1HB ARG 32 2HB ARG 32 -33.309 1.820 -7.350 266 2HB ARG 32 1HB ARG 32 -32.806 2.202 -8.993 267 1HG ARG 32 2HG ARG 32 -34.283 -0.316 -8.871 268 2HG ARG 32 1HG ARG 32 -35.227 1.028 -8.241 269 1HD ARG 32 2HD ARG 32 -34.379 2.275 -10.403 270 2HD ARG 32 1HD ARG 32 -34.122 0.627 -11.009 271 HE ARG 32 HE ARG 32 -36.713 1.858 -10.506 272 1HH1 ARG 32 1HH2 ARG 32 -34.867 -1.049 -10.742 273 2HH1 ARG 32 2HH2 ARG 32 -36.257 -2.072 -10.887 274 1HH2 ARG 32 1HH1 ARG 32 -38.538 0.519 -10.587 275 2HH2 ARG 32 2HH1 ARG 32 -38.331 -1.187 -10.799 276 H TYR 33 H TYR 33 -32.878 -1.770 -9.247 277 HA TYR 33 HA TYR 33 -33.174 -3.131 -6.594 278 1HB TYR 33 2HB TYR 33 -35.174 -2.716 -8.821 279 2HB TYR 33 1HB TYR 33 -35.375 -4.001 -7.629 280 HD1 TYR 33 HD1 TYR 33 -36.361 -0.769 -8.349 281 HD2 TYR 33 HD2 TYR 33 -34.765 -3.082 -5.101 282 HE1 TYR 33 HE1 TYR 33 -37.279 0.871 -6.728 283 HE2 TYR 33 HE2 TYR 33 -35.681 -1.443 -3.482 284 HH TYR 33 HH TYR 33 -36.913 1.611 -4.454 285 H CYS 34 H CYS 34 -31.773 -3.254 -9.603 286 HA CYS 34 HA CYS 34 -32.178 -5.771 -10.711 287 1HB CYS 34 2HB CYS 34 -30.531 -3.992 -11.439 288 2HB CYS 34 1HB CYS 34 -29.492 -4.509 -10.111 289 H THR 35 H THR 35 -30.761 -7.769 -10.391 290 HA THR 35 HA THR 35 -29.908 -8.164 -7.558 291 HB THR 35 HB THR 35 -31.220 -10.522 -8.360 292 HG1 THR 35 HG1 THR 35 -32.932 -8.327 -8.789 293 1HG2 THR 35 1HG2 THR 35 -31.718 -8.268 -6.467 294 2HG2 THR 35 2HG2 THR 35 -31.451 -9.978 -6.130 295 3HG2 THR 35 3HG2 THR 35 -33.018 -9.431 -6.727 296 H CYS 36 H CYS 36 -29.055 -8.373 -10.768 297 HA CYS 36 HA CYS 36 -27.940 -10.881 -11.230 298 1HB CYS 36 2HB CYS 36 -26.427 -9.738 -12.688 299 2HB CYS 36 1HB CYS 36 -27.905 -8.778 -12.662 300 H GLU 37 H GLU 37 -25.592 -11.585 -10.856 301 HA GLU 37 HA GLU 37 -24.934 -11.370 -8.039 302 1HB GLU 37 2HB GLU 37 -23.339 -13.021 -8.571 303 2HB GLU 37 1HB GLU 37 -24.584 -13.268 -9.793 304 1HG GLU 37 2HG GLU 37 -22.915 -13.080 -11.311 305 2HG GLU 37 1HG GLU 37 -22.953 -11.353 -10.955 306 H LYS 38 H LYS 38 -24.425 -9.178 -10.491 307 HA LYS 38 HA LYS 38 -21.746 -8.288 -9.537 308 1HB LYS 38 2HB LYS 38 -23.572 -7.502 -11.834 309 2HB LYS 38 1HB LYS 38 -22.013 -6.737 -11.521 310 1HG LYS 38 2HG LYS 38 -21.761 -9.627 -11.503 311 2HG LYS 38 1HG LYS 38 -22.464 -9.069 -13.021 312 1HD LYS 38 2HD LYS 38 -20.593 -7.332 -13.092 313 2HD LYS 38 1HD LYS 38 -19.838 -8.234 -11.779 314 1HE LYS 38 2HE LYS 38 -18.936 -9.609 -13.338 315 2HE LYS 38 1HE LYS 38 -20.579 -10.156 -13.730 316 1HZ LYS 38 1HZ LYS 38 -19.649 -7.559 -14.743 317 2HZ LYS 38 2HZ LYS 38 -20.803 -8.619 -15.400 318 3HZ LYS 38 3HZ LYS 38 -19.146 -8.971 -15.538 319 H CYS 39 H CYS 39 -25.096 -7.651 -9.271 320 HA CYS 39 HA CYS 39 -24.764 -4.880 -8.314 321 1HB CYS 39 2HB CYS 39 -26.880 -6.747 -9.217 322 2HB CYS 39 1HB CYS 39 -27.367 -5.670 -7.926 323 H ARG 40 H ARG 40 -25.432 -8.159 -7.191 324 HA ARG 40 HA ARG 40 -25.987 -7.439 -4.432 325 1HB ARG 40 2HB ARG 40 -25.077 -10.043 -5.707 326 2HB ARG 40 1HB ARG 40 -25.831 -9.883 -4.120 327 1HG ARG 40 2HG ARG 40 -27.793 -8.768 -5.360 328 2HG ARG 40 1HG ARG 40 -27.072 -9.416 -6.831 329 1HD ARG 40 2HD ARG 40 -27.971 -11.027 -4.417 330 2HD ARG 40 1HD ARG 40 -28.720 -11.022 -6.024 331 HE ARG 40 HE ARG 40 -25.907 -11.629 -6.223 332 1HH1 ARG 40 1HH2 ARG 40 -27.466 -13.336 -4.041 333 2HH1 ARG 40 2HH2 ARG 40 -27.715 -14.782 -4.962 334 1HH2 ARG 40 1HH1 ARG 40 -26.880 -13.316 -7.990 335 2HH2 ARG 40 2HH1 ARG 40 -27.384 -14.770 -7.196 336 H LEU 41 H LEU 41 -23.180 -8.641 -6.239 337 HA LEU 41 HA LEU 41 -21.384 -8.766 -3.995 338 1HB LEU 41 2HB LEU 41 -19.890 -9.447 -5.613 339 2HB LEU 41 1HB LEU 41 -21.356 -9.595 -6.575 340 HG LEU 41 HG LEU 41 -20.939 -7.127 -7.236 341 1HD1 LEU 41 1HD1 LEU 41 -18.632 -7.711 -5.545 342 2HD1 LEU 41 2HD1 LEU 41 -19.208 -6.159 -6.152 343 3HD1 LEU 41 3HD1 LEU 41 -18.150 -7.157 -7.148 344 1HD2 LEU 41 1HD2 LEU 41 -20.486 -9.326 -8.570 345 2HD2 LEU 41 2HD2 LEU 41 -18.790 -9.002 -8.212 346 3HD2 LEU 41 3HD2 LEU 41 -19.735 -7.833 -9.133 347 H THR 42 H THR 42 -22.385 -6.240 -6.195 348 HA THR 42 HA THR 42 -20.425 -4.249 -5.564 349 HB THR 42 HB THR 42 -23.279 -4.276 -6.530 350 HG1 THR 42 HG1 THR 42 -20.984 -4.689 -7.671 351 1HG2 THR 42 1HG2 THR 42 -22.645 -1.810 -7.191 352 2HG2 THR 42 2HG2 THR 42 -21.532 -1.941 -5.831 353 3HG2 THR 42 3HG2 THR 42 -23.263 -2.153 -5.575 354 H ALA 43 H ALA 43 -23.815 -4.289 -4.542 355 HA ALA 43 HA ALA 43 -23.779 -2.477 -2.442 356 1HB ALA 43 1HB ALA 43 -25.173 -5.044 -1.908 357 2HB ALA 43 2HB ALA 43 -25.507 -4.331 -3.486 358 3HB ALA 43 3HB ALA 43 -25.839 -3.414 -2.017 359 H ASP 44 H ASP 44 -22.458 -5.706 -2.583 360 HA ASP 44 HA ASP 44 -21.891 -5.948 0.275 361 1HB ASP 44 2HB ASP 44 -22.187 -7.605 -1.899 362 2HB ASP 44 1HB ASP 44 -20.433 -7.581 -1.709 363 H ARG 45 H ARG 45 -20.064 -5.203 -2.692 364 HA ARG 45 HA ARG 45 -17.445 -5.073 -1.630 365 1HB ARG 45 2HB ARG 45 -18.772 -4.583 -4.022 366 2HB ARG 45 1HB ARG 45 -18.123 -3.000 -3.596 367 1HG ARG 45 2HG ARG 45 -16.452 -5.524 -3.567 368 2HG ARG 45 1HG ARG 45 -16.566 -4.462 -4.971 369 1HD ARG 45 2HD ARG 45 -15.521 -2.658 -3.838 370 2HD ARG 45 1HD ARG 45 -15.796 -3.392 -2.246 371 HE ARG 45 HE ARG 45 -14.256 -5.169 -3.911 372 1HH1 ARG 45 1HH2 ARG 45 -13.995 -2.072 -2.439 373 2HH1 ARG 45 2HH2 ARG 45 -12.362 -2.308 -1.914 374 1HH2 ARG 45 1HH1 ARG 45 -12.179 -5.573 -3.068 375 2HH2 ARG 45 2HH1 ARG 45 -11.336 -4.291 -2.266 376 H GLN 46 H GLN 46 -20.058 -2.669 -1.588 377 HA GLN 46 HA GLN 46 -18.308 -0.844 0.021 378 1HB GLN 46 2HB GLN 46 -20.099 -0.534 -2.201 379 2HB GLN 46 1HB GLN 46 -20.744 0.375 -0.835 380 1HG GLN 46 2HG GLN 46 -18.656 1.573 -0.569 381 2HG GLN 46 1HG GLN 46 -17.873 0.565 -1.786 382 1HE2 GLN 46 1HE2 GLN 46 -18.482 0.901 -4.053 383 2HE2 GLN 46 2HE2 GLN 46 -19.300 2.305 -4.541 384 H ARG 47 H ARG 47 -21.824 -1.452 -0.254 385 HA ARG 47 HA ARG 47 -22.386 -0.772 2.475 386 1HB ARG 47 2HB ARG 47 -24.364 -0.711 1.369 387 2HB ARG 47 1HB ARG 47 -23.714 -1.681 0.053 388 1HG ARG 47 2HG ARG 47 -25.576 -2.891 0.991 389 2HG ARG 47 1HG ARG 47 -24.104 -3.727 1.487 390 1HD ARG 47 2HD ARG 47 -25.351 -3.581 3.499 391 2HD ARG 47 1HD ARG 47 -24.249 -2.194 3.612 392 HE ARG 47 HE ARG 47 -26.147 -0.810 3.442 393 1HH1 ARG 47 1HH2 ARG 47 -27.340 -3.889 3.302 394 2HH1 ARG 47 2HH2 ARG 47 -28.686 -3.538 2.270 395 1HH2 ARG 47 1HH1 ARG 47 -27.615 -0.326 1.523 396 2HH2 ARG 47 2HH1 ARG 47 -28.843 -1.520 1.266 397 H VAL 48 H VAL 48 -22.355 -2.047 4.317 398 HA VAL 48 HA VAL 48 -21.641 -4.942 3.966 399 HB VAL 48 HB VAL 48 -20.948 -3.018 6.212 400 1HG1 VAL 48 1HG1 VAL 48 -20.892 -5.849 6.038 401 2HG1 VAL 48 2HG1 VAL 48 -20.208 -4.838 7.310 402 3HG1 VAL 48 3HG1 VAL 48 -19.219 -5.303 5.926 403 1HG2 VAL 48 1HG2 VAL 48 -19.163 -2.340 5.005 404 2HG2 VAL 48 2HG2 VAL 48 -19.904 -3.120 3.608 405 3HG2 VAL 48 3HG2 VAL 48 -18.738 -4.001 4.595 406 H MET 49 H MET 49 -23.162 -6.329 4.779 407 HA MET 49 HA MET 49 -25.456 -5.286 6.288 408 1HB MET 49 2HB MET 49 -26.356 -7.469 5.862 409 2HB MET 49 1HB MET 49 -25.437 -7.035 4.420 410 1HG MET 49 2HG MET 49 -23.455 -8.220 5.697 411 2HG MET 49 1HG MET 49 -24.765 -9.019 6.565 412 1HE MET 49 1HE MET 49 -22.827 -11.002 3.779 413 2HE MET 49 2HE MET 49 -22.385 -9.562 4.694 414 3HE MET 49 3HE MET 49 -22.721 -9.433 2.970 415 H ALA 50 H ALA 50 -25.946 -5.818 8.458 416 HA ALA 50 HA ALA 50 -23.809 -7.262 9.992 417 1HB ALA 50 1HB ALA 50 -23.441 -5.348 11.133 418 2HB ALA 50 2HB ALA 50 -25.153 -5.232 11.539 419 3HB ALA 50 3HB ALA 50 -24.553 -4.523 10.039 420 H LEU 51 H LEU 51 -26.893 -7.496 8.987 421 HA LEU 51 HA LEU 51 -27.825 -8.733 11.559 422 1HB LEU 51 2HB LEU 51 -29.116 -6.926 9.546 423 2HB LEU 51 1HB LEU 51 -30.130 -8.097 10.389 424 HG LEU 51 HG LEU 51 -28.253 -6.599 12.115 425 1HD1 LEU 51 1HD1 LEU 51 -30.581 -5.255 10.710 426 2HD1 LEU 51 2HD1 LEU 51 -28.884 -4.782 10.631 427 3HD1 LEU 51 3HD1 LEU 51 -29.779 -4.603 12.140 428 1HD2 LEU 51 1HD2 LEU 51 -30.562 -6.385 13.342 429 2HD2 LEU 51 2HD2 LEU 51 -29.780 -7.963 13.261 430 3HD2 LEU 51 3HD2 LEU 51 -31.102 -7.574 12.158 431 H GLN 52 H GLN 52 -26.532 -10.534 10.177 432 HA GLN 52 HA GLN 52 -28.226 -11.755 8.076 433 1HB GLN 52 2HB GLN 52 -26.280 -13.209 7.795 434 2HB GLN 52 1HB GLN 52 -25.738 -11.536 7.911 435 1HG GLN 52 2HG GLN 52 -25.956 -12.957 10.496 436 2HG GLN 52 1HG GLN 52 -24.709 -13.571 9.410 437 1HE2 GLN 52 1HE2 GLN 52 -23.781 -12.351 11.704 438 2HE2 GLN 52 2HE2 GLN 52 -23.149 -10.814 11.354 Start of MODEL 9 1 1H SER 1 1H SER 1 -27.761 1.176 3.480 2 2H SER 1 2H SER 1 -29.405 1.261 3.059 3 3H SER 1 3H SER 1 -28.786 2.268 4.279 4 HA SER 1 HA SER 1 -27.917 2.393 1.436 5 1HB SER 1 2HB SER 1 -30.390 2.855 2.061 6 2HB SER 1 1HB SER 1 -29.772 4.272 2.904 7 HG SER 1 HG SER 1 -28.607 4.530 0.718 8 H ILE 2 H ILE 2 -25.802 2.433 2.881 9 HA ILE 2 HA ILE 2 -25.331 5.266 3.759 10 HB ILE 2 HB ILE 2 -23.559 4.064 5.234 11 1HG1 ILE 2 2HG1 ILE 2 -25.417 1.718 4.784 12 2HG1 ILE 2 1HG1 ILE 2 -23.900 1.892 3.901 13 1HG2 ILE 2 1HG2 ILE 2 -26.238 4.758 5.627 14 2HG2 ILE 2 2HG2 ILE 2 -25.055 4.403 6.888 15 3HG2 ILE 2 3HG2 ILE 2 -26.110 3.125 6.284 16 1HD1 ILE 2 1HD1 ILE 2 -24.095 1.944 6.924 17 2HD1 ILE 2 2HD1 ILE 2 -22.623 1.881 5.954 18 3HD1 ILE 2 3HD1 ILE 2 -23.714 0.495 5.994 19 H SER 3 H SER 3 -23.669 6.290 2.683 20 HA SER 3 HA SER 3 -21.783 4.585 1.085 21 1HB SER 3 2HB SER 3 -23.431 7.002 0.449 22 2HB SER 3 1HB SER 3 -21.872 6.832 -0.352 23 HG SER 3 HG SER 3 -24.064 5.030 -0.357 24 HA PRO 4 HA PRO 4 -19.408 7.330 3.955 25 1HB PRO 4 2HB PRO 4 -17.721 5.377 4.861 26 2HB PRO 4 1HB PRO 4 -19.300 5.707 5.598 27 1HG PRO 4 2HG PRO 4 -18.499 3.544 3.726 28 2HG PRO 4 1HG PRO 4 -19.634 3.502 5.084 29 1HD PRO 4 2HD PRO 4 -20.381 3.659 2.445 30 2HD PRO 4 1HD PRO 4 -21.381 4.213 3.805 31 H ARG 5 H ARG 5 -18.591 5.053 1.437 32 HA ARG 5 HA ARG 5 -16.446 6.827 0.469 33 1HB ARG 5 2HB ARG 5 -16.015 4.377 2.036 34 2HB ARG 5 1HB ARG 5 -15.142 4.382 0.503 35 1HG ARG 5 2HG ARG 5 -15.071 6.873 2.151 36 2HG ARG 5 1HG ARG 5 -14.101 5.501 2.689 37 1HD ARG 5 2HD ARG 5 -13.141 5.380 0.338 38 2HD ARG 5 1HD ARG 5 -13.940 6.933 0.020 39 HE ARG 5 HE ARG 5 -11.890 6.521 2.163 40 1HH1 ARG 5 1HH2 ARG 5 -13.763 8.861 2.484 41 2HH1 ARG 5 2HH2 ARG 5 -12.869 10.136 1.723 42 1HH2 ARG 5 1HH1 ARG 5 -10.683 7.990 0.096 43 2HH2 ARG 5 2HH1 ARG 5 -11.123 9.643 0.375 44 H THR 6 H THR 6 -17.371 6.953 -1.588 45 HA THR 6 HA THR 6 -17.554 4.392 -3.120 46 HB THR 6 HB THR 6 -19.674 5.752 -4.098 47 HG1 THR 6 HG1 THR 6 -20.020 6.300 -1.406 48 1HG2 THR 6 1HG2 THR 6 -20.408 3.727 -3.416 49 2HG2 THR 6 2HG2 THR 6 -20.794 4.516 -1.887 50 3HG2 THR 6 3HG2 THR 6 -19.257 3.673 -2.080 51 HA PRO 7 HA PRO 7 -15.604 6.723 -6.294 52 1HB PRO 7 2HB PRO 7 -16.662 5.569 -8.540 53 2HB PRO 7 1HB PRO 7 -15.474 4.752 -7.505 54 1HG PRO 7 2HG PRO 7 -18.422 4.399 -7.643 55 2HG PRO 7 1HG PRO 7 -17.151 3.195 -7.390 56 1HD PRO 7 2HD PRO 7 -18.707 4.215 -5.383 57 2HD PRO 7 1HD PRO 7 -17.073 3.561 -5.138 58 HA PRO 8 HA PRO 8 -18.295 9.870 -7.784 59 1HB PRO 8 2HB PRO 8 -17.297 10.466 -10.257 60 2HB PRO 8 1HB PRO 8 -16.453 10.882 -8.752 61 1HG PRO 8 2HG PRO 8 -15.944 8.658 -10.651 62 2HG PRO 8 1HG PRO 8 -14.800 9.625 -9.712 63 1HD PRO 8 2HD PRO 8 -15.596 7.077 -9.050 64 2HD PRO 8 1HD PRO 8 -14.957 8.264 -7.892 65 H ASN 9 H ASN 9 -19.580 7.468 -8.081 66 HA ASN 9 HA ASN 9 -21.500 7.920 -10.161 67 1HB ASN 9 2HB ASN 9 -20.833 6.230 -11.760 68 2HB ASN 9 1HB ASN 9 -19.442 7.278 -11.493 69 1HD2 ASN 9 1HD2 ASN 9 -17.590 6.004 -11.411 70 2HD2 ASN 9 2HD2 ASN 9 -17.465 4.514 -10.609 71 H CYS 10 H CYS 10 -23.049 6.098 -10.284 72 HA CYS 10 HA CYS 10 -23.389 4.818 -7.672 73 1HB CYS 10 2HB CYS 10 -25.263 5.767 -8.950 74 2HB CYS 10 1HB CYS 10 -24.886 4.750 -10.302 75 H ALA 11 H ALA 11 -22.797 2.677 -7.205 76 HA ALA 11 HA ALA 11 -21.440 1.174 -9.306 77 1HB ALA 11 1HB ALA 11 -20.401 1.067 -7.196 78 2HB ALA 11 2HB ALA 11 -21.226 -0.488 -7.322 79 3HB ALA 11 3HB ALA 11 -21.937 0.813 -6.366 80 H ARG 12 H ARG 12 -24.567 1.188 -7.857 81 HA ARG 12 HA ARG 12 -25.423 -1.492 -8.357 82 1HB ARG 12 2HB ARG 12 -26.520 0.409 -7.077 83 2HB ARG 12 1HB ARG 12 -26.955 1.109 -8.628 84 1HG ARG 12 2HG ARG 12 -28.725 -0.222 -8.762 85 2HG ARG 12 1HG ARG 12 -27.681 -1.639 -8.679 86 1HD ARG 12 2HD ARG 12 -29.016 -0.169 -6.389 87 2HD ARG 12 1HD ARG 12 -29.128 -1.890 -6.802 88 HE ARG 12 HE ARG 12 -27.026 -0.706 -5.230 89 1HH1 ARG 12 1HH2 ARG 12 -28.107 -3.567 -6.519 90 2HH1 ARG 12 2HH2 ARG 12 -26.549 -4.303 -6.692 91 1HH2 ARG 12 1HH1 ARG 12 -24.802 -1.394 -5.972 92 2HH2 ARG 12 2HH1 ARG 12 -24.677 -3.072 -6.384 93 H CYS 13 H CYS 13 -25.662 1.416 -10.356 94 HA CYS 13 HA CYS 13 -26.654 -0.141 -12.618 95 1HB CYS 13 2HB CYS 13 -26.695 2.134 -13.677 96 2HB CYS 13 1HB CYS 13 -27.476 2.101 -12.115 97 H ARG 14 H ARG 14 -23.375 0.851 -11.599 98 HA ARG 14 HA ARG 14 -22.263 0.801 -14.297 99 1HB ARG 14 2HB ARG 14 -20.100 0.341 -13.059 100 2HB ARG 14 1HB ARG 14 -20.970 1.766 -12.497 101 1HG ARG 14 2HG ARG 14 -20.275 0.551 -10.549 102 2HG ARG 14 1HG ARG 14 -21.999 0.326 -10.725 103 1HD ARG 14 2HD ARG 14 -21.750 -1.909 -10.788 104 2HD ARG 14 1HD ARG 14 -20.596 -1.772 -12.128 105 HE ARG 14 HE ARG 14 -19.805 -1.413 -9.263 106 1HH1 ARG 14 1HH2 ARG 14 -18.143 -0.617 -11.813 107 2HH1 ARG 14 2HH2 ARG 14 -17.010 -1.927 -11.833 108 1HH2 ARG 14 1HH1 ARG 14 -18.801 -3.858 -9.577 109 2HH2 ARG 14 2HH1 ARG 14 -17.382 -3.762 -10.565 110 H ASN 15 H ASN 15 -23.151 -1.614 -11.989 111 HA ASN 15 HA ASN 15 -21.693 -3.859 -12.601 112 1HB ASN 15 2HB ASN 15 -24.629 -3.368 -12.123 113 2HB ASN 15 1HB ASN 15 -23.962 -4.994 -12.160 114 1HD2 ASN 15 1HD2 ASN 15 -24.861 -2.733 -10.031 115 2HD2 ASN 15 2HD2 ASN 15 -23.684 -2.898 -8.828 116 H HIS 16 H HIS 16 -24.207 -2.340 -14.446 117 HA HIS 16 HA HIS 16 -24.054 -4.388 -16.593 118 1HB HIS 16 2HB HIS 16 -25.897 -2.072 -15.950 119 2HB HIS 16 1HB HIS 16 -26.152 -3.225 -17.242 120 HD1 HIS 16 HD1 HIS 16 -27.094 -5.495 -16.672 121 HD2 HIS 16 HD2 HIS 16 -25.922 -3.299 -13.329 122 HE1 HIS 16 HE1 HIS 16 -27.833 -6.834 -14.639 123 H GLY 17 H GLY 17 -22.898 -1.233 -15.836 124 1HA GLY 17 2HA GLY 17 -21.106 -0.405 -17.383 125 2HA GLY 17 1HA GLY 17 -22.181 -0.832 -18.716 126 H LEU 18 H LEU 18 -23.452 0.568 -15.808 127 HA LEU 18 HA LEU 18 -24.321 2.942 -17.365 128 1HB LEU 18 2HB LEU 18 -25.545 1.206 -15.633 129 2HB LEU 18 1HB LEU 18 -25.142 2.544 -14.556 130 HG LEU 18 HG LEU 18 -27.366 2.874 -15.536 131 1HD1 LEU 18 1HD1 LEU 18 -25.805 4.857 -17.073 132 2HD1 LEU 18 2HD1 LEU 18 -25.367 4.704 -15.372 133 3HD1 LEU 18 3HD1 LEU 18 -27.025 5.103 -15.823 134 1HD2 LEU 18 1HD2 LEU 18 -25.911 2.075 -17.958 135 2HD2 LEU 18 2HD2 LEU 18 -26.911 3.509 -18.194 136 3HD2 LEU 18 3HD2 LEU 18 -27.640 2.011 -17.617 137 H LYS 19 H LYS 19 -23.923 5.081 -16.530 138 HA LYS 19 HA LYS 19 -22.064 5.387 -14.247 139 1HB LYS 19 2HB LYS 19 -21.506 5.974 -17.153 140 2HB LYS 19 1HB LYS 19 -20.703 6.915 -15.893 141 1HG LYS 19 2HG LYS 19 -20.654 3.890 -16.124 142 2HG LYS 19 1HG LYS 19 -19.331 4.968 -16.567 143 1HD LYS 19 2HD LYS 19 -20.240 5.584 -13.895 144 2HD LYS 19 1HD LYS 19 -19.857 3.867 -14.016 145 1HE LYS 19 2HE LYS 19 -17.744 4.734 -13.532 146 2HE LYS 19 1HE LYS 19 -17.709 4.807 -15.305 147 1HZ LYS 19 1HZ LYS 19 -18.951 7.056 -14.851 148 2HZ LYS 19 2HZ LYS 19 -17.254 6.977 -14.816 149 3HZ LYS 19 3HZ LYS 19 -18.140 6.964 -13.365 150 H ILE 20 H ILE 20 -23.873 6.432 -13.297 151 HA ILE 20 HA ILE 20 -24.929 8.869 -14.626 152 HB ILE 20 HB ILE 20 -26.875 8.300 -13.585 153 1HG1 ILE 20 2HG1 ILE 20 -25.667 8.982 -11.357 154 2HG1 ILE 20 1HG1 ILE 20 -27.209 8.178 -11.371 155 1HG2 ILE 20 1HG2 ILE 20 -27.203 5.992 -13.125 156 2HG2 ILE 20 2HG2 ILE 20 -25.479 5.756 -12.846 157 3HG2 ILE 20 3HG2 ILE 20 -26.066 6.144 -14.459 158 1HD1 ILE 20 1HD1 ILE 20 -24.561 6.778 -11.155 159 2HD1 ILE 20 2HD1 ILE 20 -26.150 6.015 -11.100 160 3HD1 ILE 20 3HD1 ILE 20 -25.653 7.113 -9.822 161 H THR 21 H THR 21 -22.513 8.100 -12.416 162 HA THR 21 HA THR 21 -21.133 9.580 -11.137 163 HB THR 21 HB THR 21 -23.232 11.708 -11.487 164 HG1 THR 21 HG1 THR 21 -22.907 11.745 -13.548 165 1HG2 THR 21 1HG2 THR 21 -20.202 11.771 -11.513 166 2HG2 THR 21 2HG2 THR 21 -21.208 12.134 -10.111 167 3HG2 THR 21 3HG2 THR 21 -21.275 13.171 -11.535 168 H LEU 22 H LEU 22 -24.154 8.513 -10.496 169 HA LEU 22 HA LEU 22 -25.500 8.256 -8.565 170 1HB LEU 22 2HB LEU 22 -23.483 7.058 -7.958 171 2HB LEU 22 1HB LEU 22 -22.697 8.554 -7.455 172 HG LEU 22 HG LEU 22 -25.248 8.281 -6.130 173 1HD1 LEU 22 1HD1 LEU 22 -24.836 5.856 -6.518 174 2HD1 LEU 22 2HD1 LEU 22 -24.781 6.283 -4.807 175 3HD1 LEU 22 3HD1 LEU 22 -23.282 6.015 -5.698 176 1HD2 LEU 22 1HD2 LEU 22 -22.886 9.458 -5.611 177 2HD2 LEU 22 2HD2 LEU 22 -22.650 7.967 -4.700 178 3HD2 LEU 22 3HD2 LEU 22 -24.015 9.021 -4.329 179 H LYS 23 H LYS 23 -25.083 11.075 -9.554 180 HA LYS 23 HA LYS 23 -24.991 12.692 -7.087 181 1HB LYS 23 2HB LYS 23 -24.818 13.039 -9.970 182 2HB LYS 23 1HB LYS 23 -25.954 14.196 -9.274 183 1HG LYS 23 2HG LYS 23 -23.507 13.893 -7.687 184 2HG LYS 23 1HG LYS 23 -23.205 14.492 -9.317 185 1HD LYS 23 2HD LYS 23 -25.437 15.680 -7.693 186 2HD LYS 23 1HD LYS 23 -23.776 16.199 -7.405 187 1HE LYS 23 2HE LYS 23 -24.338 16.103 -10.259 188 2HE LYS 23 1HE LYS 23 -25.477 17.170 -9.414 189 1HZ LYS 23 1HZ LYS 23 -23.079 17.996 -10.081 190 2HZ LYS 23 2HZ LYS 23 -22.664 17.253 -8.610 191 3HZ LYS 23 3HZ LYS 23 -23.818 18.499 -8.641 192 H GLY 24 H GLY 24 -26.853 12.470 -5.801 193 1HA GLY 24 2HA GLY 24 -29.154 12.248 -5.282 194 2HA GLY 24 1HA GLY 24 -29.383 13.440 -6.571 195 H HIS 25 H HIS 25 -28.177 10.113 -6.584 196 HA HIS 25 HA HIS 25 -30.021 9.485 -8.850 197 1HB HIS 25 2HB HIS 25 -27.646 9.417 -9.274 198 2HB HIS 25 1HB HIS 25 -27.369 8.436 -7.842 199 HD1 HIS 25 HD1 HIS 25 -29.446 8.138 -11.047 200 HD2 HIS 25 HD2 HIS 25 -27.043 5.818 -8.568 201 HE1 HIS 25 HE1 HIS 25 -29.064 5.926 -12.217 202 H LYS 26 H LYS 26 -28.422 6.905 -7.204 203 HA LYS 26 HA LYS 26 -29.352 4.980 -6.209 204 1HB LYS 26 2HB LYS 26 -30.242 7.440 -4.755 205 2HB LYS 26 1HB LYS 26 -30.954 5.904 -4.261 206 1HG LYS 26 2HG LYS 26 -28.956 5.069 -3.476 207 2HG LYS 26 1HG LYS 26 -27.997 5.975 -4.647 208 1HD LYS 26 2HD LYS 26 -29.040 8.028 -3.216 209 2HD LYS 26 1HD LYS 26 -28.966 6.789 -1.962 210 1HE LYS 26 2HE LYS 26 -26.583 7.276 -3.749 211 2HE LYS 26 1HE LYS 26 -26.856 8.276 -2.308 212 1HZ LYS 26 1HZ LYS 26 -26.736 5.307 -2.389 213 2HZ LYS 26 2HZ LYS 26 -27.110 6.228 -1.011 214 3HZ LYS 26 3HZ LYS 26 -25.566 6.334 -1.714 215 H ARG 27 H ARG 27 -32.300 6.684 -5.440 216 HA ARG 27 HA ARG 27 -34.097 4.811 -6.455 217 1HB ARG 27 2HB ARG 27 -34.405 7.832 -6.482 218 2HB ARG 27 1HB ARG 27 -35.703 6.645 -6.348 219 1HG ARG 27 2HG ARG 27 -33.815 6.039 -4.314 220 2HG ARG 27 1HG ARG 27 -34.100 7.779 -4.253 221 1HD ARG 27 2HD ARG 27 -35.906 7.114 -2.975 222 2HD ARG 27 1HD ARG 27 -36.653 6.899 -4.570 223 HE ARG 27 HE ARG 27 -35.500 4.507 -4.345 224 1HH1 ARG 27 1HH2 ARG 27 -37.707 6.234 -2.420 225 2HH1 ARG 27 2HH2 ARG 27 -37.923 4.969 -1.257 226 1HH2 ARG 27 1HH1 ARG 27 -35.475 2.931 -2.626 227 2HH2 ARG 27 2HH1 ARG 27 -36.657 3.101 -1.370 228 H TYR 28 H TYR 28 -32.277 7.252 -8.197 229 HA TYR 28 HA TYR 28 -33.816 6.951 -10.689 230 1HB TYR 28 2HB TYR 28 -31.221 8.343 -9.944 231 2HB TYR 28 1HB TYR 28 -32.038 8.519 -11.497 232 HD1 TYR 28 HD1 TYR 28 -31.707 11.004 -10.357 233 HD2 TYR 28 HD2 TYR 28 -34.621 8.055 -9.232 234 HE1 TYR 28 HE1 TYR 28 -33.145 12.787 -9.407 235 HE2 TYR 28 HE2 TYR 28 -36.058 9.838 -8.282 236 HH TYR 28 HH TYR 28 -35.876 12.917 -8.981 237 H CYS 29 H CYS 29 -32.023 4.752 -9.258 238 HA CYS 29 HA CYS 29 -30.058 4.167 -11.379 239 1HB CYS 29 2HB CYS 29 -29.781 3.854 -8.844 240 2HB CYS 29 1HB CYS 29 -30.867 2.480 -9.006 241 H LYS 30 H LYS 30 -30.658 2.993 -13.173 242 HA LYS 30 HA LYS 30 -33.179 1.645 -13.459 243 1HB LYS 30 2HB LYS 30 -30.746 2.135 -14.935 244 2HB LYS 30 1HB LYS 30 -31.189 0.437 -15.109 245 1HG LYS 30 2HG LYS 30 -33.623 1.600 -15.427 246 2HG LYS 30 1HG LYS 30 -32.584 2.862 -16.090 247 1HD LYS 30 2HD LYS 30 -31.511 0.544 -17.164 248 2HD LYS 30 1HD LYS 30 -33.247 0.230 -17.191 249 1HE LYS 30 2HE LYS 30 -32.511 1.366 -19.277 250 2HE LYS 30 1HE LYS 30 -33.607 2.407 -18.347 251 1HZ LYS 30 1HZ LYS 30 -31.957 3.804 -17.788 252 2HZ LYS 30 2HZ LYS 30 -31.162 3.161 -19.144 253 3HZ LYS 30 3HZ LYS 30 -30.816 2.567 -17.590 254 H PHE 31 H PHE 31 -30.286 0.876 -11.813 255 HA PHE 31 HA PHE 31 -30.962 -2.029 -11.544 256 1HB PHE 31 2HB PHE 31 -28.415 -0.439 -11.016 257 2HB PHE 31 1HB PHE 31 -28.516 -2.202 -11.080 258 HD1 PHE 31 HD1 PHE 31 -28.784 0.924 -13.035 259 HD2 PHE 31 HD2 PHE 31 -28.701 -3.364 -13.192 260 HE1 PHE 31 HE1 PHE 31 -28.545 1.025 -15.493 261 HE2 PHE 31 HE2 PHE 31 -28.476 -3.268 -15.655 262 HZ PHE 31 HZ PHE 31 -28.392 -1.074 -16.813 263 H ARG 32 H ARG 32 -31.851 0.639 -10.082 264 HA ARG 32 HA ARG 32 -30.941 0.862 -7.479 265 1HB ARG 32 2HB ARG 32 -32.957 2.004 -7.102 266 2HB ARG 32 1HB ARG 32 -32.813 2.071 -8.853 267 1HG ARG 32 2HG ARG 32 -34.377 -0.071 -7.390 268 2HG ARG 32 1HG ARG 32 -35.103 1.406 -8.014 269 1HD ARG 32 2HD ARG 32 -33.715 0.504 -10.216 270 2HD ARG 32 1HD ARG 32 -34.257 -1.010 -9.471 271 HE ARG 32 HE ARG 32 -36.087 1.235 -10.213 272 1HH1 ARG 32 1HH2 ARG 32 -35.507 -1.855 -11.092 273 2HH1 ARG 32 2HH2 ARG 32 -37.064 -2.498 -10.687 274 1HH2 ARG 32 1HH1 ARG 32 -38.073 0.329 -8.952 275 2HH2 ARG 32 2HH1 ARG 32 -38.513 -1.263 -9.470 276 H TYR 33 H TYR 33 -32.724 -1.768 -8.857 277 HA TYR 33 HA TYR 33 -32.678 -3.136 -6.199 278 1HB TYR 33 2HB TYR 33 -35.009 -2.648 -8.054 279 2HB TYR 33 1HB TYR 33 -35.024 -3.996 -6.917 280 HD1 TYR 33 HD1 TYR 33 -36.557 -1.100 -7.156 281 HD2 TYR 33 HD2 TYR 33 -33.572 -2.847 -4.607 282 HE1 TYR 33 HE1 TYR 33 -37.210 0.446 -5.330 283 HE2 TYR 33 HE2 TYR 33 -34.225 -1.302 -2.783 284 HH TYR 33 HH TYR 33 -35.435 0.506 -2.253 285 H CYS 34 H CYS 34 -31.554 -3.228 -9.229 286 HA CYS 34 HA CYS 34 -32.165 -5.633 -10.478 287 1HB CYS 34 2HB CYS 34 -30.465 -3.910 -11.171 288 2HB CYS 34 1HB CYS 34 -29.403 -4.525 -9.902 289 H THR 35 H THR 35 -30.807 -7.729 -10.345 290 HA THR 35 HA THR 35 -29.933 -8.347 -7.561 291 HB THR 35 HB THR 35 -31.328 -10.435 -7.722 292 HG1 THR 35 HG1 THR 35 -31.414 -9.919 -10.181 293 1HG2 THR 35 1HG2 THR 35 -33.162 -8.111 -8.172 294 2HG2 THR 35 2HG2 THR 35 -32.046 -8.056 -6.807 295 3HG2 THR 35 3HG2 THR 35 -33.226 -9.362 -6.931 296 H CYS 36 H CYS 36 -28.984 -8.276 -10.674 297 HA CYS 36 HA CYS 36 -28.042 -10.838 -11.372 298 1HB CYS 36 2HB CYS 36 -26.506 -9.637 -12.782 299 2HB CYS 36 1HB CYS 36 -27.984 -8.679 -12.684 300 H GLU 37 H GLU 37 -25.353 -11.081 -11.374 301 HA GLU 37 HA GLU 37 -24.714 -11.407 -8.508 302 1HB GLU 37 2HB GLU 37 -23.027 -12.891 -9.329 303 2HB GLU 37 1HB GLU 37 -24.426 -13.124 -10.379 304 1HG GLU 37 2HG GLU 37 -23.413 -11.448 -11.969 305 2HG GLU 37 1HG GLU 37 -21.962 -11.461 -10.965 306 H LYS 38 H LYS 38 -24.242 -8.899 -10.659 307 HA LYS 38 HA LYS 38 -21.564 -8.158 -9.543 308 1HB LYS 38 2HB LYS 38 -22.752 -8.028 -12.095 309 2HB LYS 38 1HB LYS 38 -22.743 -6.362 -11.516 310 1HG LYS 38 2HG LYS 38 -20.521 -6.203 -11.835 311 2HG LYS 38 1HG LYS 38 -20.237 -7.651 -10.868 312 1HD LYS 38 2HD LYS 38 -20.521 -9.087 -12.756 313 2HD LYS 38 1HD LYS 38 -21.184 -7.778 -13.737 314 1HE LYS 38 2HE LYS 38 -18.404 -7.529 -12.597 315 2HE LYS 38 1HE LYS 38 -18.678 -8.435 -14.099 316 1HZ LYS 38 1HZ LYS 38 -20.026 -6.479 -14.853 317 2HZ LYS 38 2HZ LYS 38 -18.357 -6.187 -14.725 318 3HZ LYS 38 3HZ LYS 38 -19.416 -5.619 -13.524 319 H CYS 39 H CYS 39 -24.923 -7.538 -9.403 320 HA CYS 39 HA CYS 39 -24.693 -4.868 -8.171 321 1HB CYS 39 2HB CYS 39 -26.768 -6.744 -9.205 322 2HB CYS 39 1HB CYS 39 -27.267 -5.697 -7.892 323 H ARG 40 H ARG 40 -25.541 -8.243 -7.385 324 HA ARG 40 HA ARG 40 -25.969 -7.779 -4.551 325 1HB ARG 40 2HB ARG 40 -25.860 -9.997 -6.497 326 2HB ARG 40 1HB ARG 40 -25.323 -10.443 -4.876 327 1HG ARG 40 2HG ARG 40 -27.401 -9.746 -3.901 328 2HG ARG 40 1HG ARG 40 -27.914 -8.967 -5.397 329 1HD ARG 40 2HD ARG 40 -29.042 -10.952 -5.705 330 2HD ARG 40 1HD ARG 40 -27.462 -11.511 -6.291 331 HE ARG 40 HE ARG 40 -27.055 -12.523 -4.128 332 1HH1 ARG 40 1HH2 ARG 40 -28.681 -10.397 -2.610 333 2HH1 ARG 40 2HH2 ARG 40 -29.989 -11.362 -2.011 334 1HH2 ARG 40 1HH1 ARG 40 -29.354 -14.019 -4.146 335 2HH2 ARG 40 2HH1 ARG 40 -30.369 -13.414 -2.880 336 H LEU 41 H LEU 41 -23.301 -8.755 -6.615 337 HA LEU 41 HA LEU 41 -21.369 -9.396 -4.610 338 1HB LEU 41 2HB LEU 41 -20.735 -10.033 -6.747 339 2HB LEU 41 1HB LEU 41 -21.481 -8.619 -7.486 340 HG LEU 41 HG LEU 41 -19.645 -7.209 -6.794 341 1HD1 LEU 41 1HD1 LEU 41 -19.337 -8.771 -4.659 342 2HD1 LEU 41 2HD1 LEU 41 -17.987 -7.828 -5.292 343 3HD1 LEU 41 3HD1 LEU 41 -18.128 -9.541 -5.685 344 1HD2 LEU 41 1HD2 LEU 41 -18.913 -8.037 -8.795 345 2HD2 LEU 41 2HD2 LEU 41 -19.147 -9.715 -8.301 346 3HD2 LEU 41 3HD2 LEU 41 -17.708 -8.836 -7.784 347 H THR 42 H THR 42 -22.392 -6.389 -6.110 348 HA THR 42 HA THR 42 -20.391 -4.658 -4.987 349 HB THR 42 HB THR 42 -23.221 -4.287 -5.978 350 HG1 THR 42 HG1 THR 42 -21.141 -4.881 -7.259 351 1HG2 THR 42 1HG2 THR 42 -22.453 -2.488 -4.367 352 2HG2 THR 42 2HG2 THR 42 -22.844 -1.912 -5.988 353 3HG2 THR 42 3HG2 THR 42 -21.160 -2.120 -5.508 354 H ALA 43 H ALA 43 -23.836 -4.767 -4.139 355 HA ALA 43 HA ALA 43 -23.792 -3.453 -1.690 356 1HB ALA 43 1HB ALA 43 -25.429 -5.845 -1.540 357 2HB ALA 43 2HB ALA 43 -25.512 -5.155 -3.160 358 3HB ALA 43 3HB ALA 43 -25.944 -4.173 -1.761 359 H ASP 44 H ASP 44 -22.886 -6.795 -2.413 360 HA ASP 44 HA ASP 44 -22.442 -7.696 0.275 361 1HB ASP 44 2HB ASP 44 -22.645 -8.978 -1.947 362 2HB ASP 44 1HB ASP 44 -20.963 -8.532 -2.233 363 H ARG 45 H ARG 45 -20.425 -6.025 -2.111 364 HA ARG 45 HA ARG 45 -17.923 -6.189 -0.718 365 1HB ARG 45 2HB ARG 45 -18.686 -5.420 -3.146 366 2HB ARG 45 1HB ARG 45 -18.720 -3.826 -2.388 367 1HG ARG 45 2HG ARG 45 -16.344 -4.673 -1.458 368 2HG ARG 45 1HG ARG 45 -16.399 -5.603 -2.955 369 1HD ARG 45 2HD ARG 45 -16.083 -3.750 -4.240 370 2HD ARG 45 1HD ARG 45 -17.220 -2.787 -3.277 371 HE ARG 45 HE ARG 45 -15.371 -2.013 -2.038 372 1HH1 ARG 45 1HH2 ARG 45 -14.350 -4.444 -4.174 373 2HH1 ARG 45 2HH2 ARG 45 -12.873 -4.782 -3.337 374 1HH2 ARG 45 1HH1 ARG 45 -13.603 -2.698 -0.661 375 2HH2 ARG 45 2HH1 ARG 45 -12.449 -3.793 -1.346 376 H GLN 46 H GLN 46 -20.765 -4.228 -0.224 377 HA GLN 46 HA GLN 46 -19.263 -2.580 1.788 378 1HB GLN 46 2HB GLN 46 -20.320 -1.568 -0.370 379 2HB GLN 46 1HB GLN 46 -21.860 -1.817 0.455 380 1HG GLN 46 2HG GLN 46 -21.245 0.384 1.057 381 2HG GLN 46 1HG GLN 46 -20.764 -0.586 2.449 382 1HE2 GLN 46 1HE2 GLN 46 -19.582 2.005 1.344 383 2HE2 GLN 46 2HE2 GLN 46 -17.935 1.660 1.125 384 H ARG 47 H ARG 47 -20.298 -5.128 2.509 385 HA ARG 47 HA ARG 47 -22.926 -4.688 3.790 386 1HB ARG 47 2HB ARG 47 -21.321 -6.863 2.847 387 2HB ARG 47 1HB ARG 47 -21.638 -7.124 4.563 388 1HG ARG 47 2HG ARG 47 -24.099 -6.362 3.812 389 2HG ARG 47 1HG ARG 47 -23.548 -7.031 2.276 390 1HD ARG 47 2HD ARG 47 -22.782 -8.810 4.419 391 2HD ARG 47 1HD ARG 47 -24.525 -8.483 4.497 392 HE ARG 47 HE ARG 47 -23.103 -9.542 2.092 393 1HH1 ARG 47 1HH2 ARG 47 -25.917 -7.915 2.758 394 2HH1 ARG 47 2HH2 ARG 47 -26.993 -9.148 2.192 395 1HH2 ARG 47 1HH1 ARG 47 -24.503 -11.534 1.844 396 2HH2 ARG 47 2HH1 ARG 47 -26.192 -11.194 1.670 397 H VAL 48 H VAL 48 -21.556 -2.831 5.011 398 HA VAL 48 HA VAL 48 -20.307 -4.019 7.462 399 HB VAL 48 HB VAL 48 -19.249 -1.786 7.646 400 1HG1 VAL 48 1HG1 VAL 48 -19.042 -3.415 5.142 401 2HG1 VAL 48 2HG1 VAL 48 -17.847 -3.160 6.414 402 3HG1 VAL 48 3HG1 VAL 48 -18.154 -1.894 5.226 403 1HG2 VAL 48 1HG2 VAL 48 -19.855 -0.731 5.067 404 2HG2 VAL 48 2HG2 VAL 48 -20.229 -0.024 6.640 405 3HG2 VAL 48 3HG2 VAL 48 -21.387 -1.101 5.858 406 H MET 49 H MET 49 -21.140 -3.430 9.495 407 HA MET 49 HA MET 49 -23.540 -1.627 9.502 408 1HB MET 49 2HB MET 49 -23.487 -4.380 9.821 409 2HB MET 49 1HB MET 49 -23.499 -3.793 11.485 410 1HG MET 49 2HG MET 49 -25.400 -2.216 10.685 411 2HG MET 49 1HG MET 49 -25.523 -3.307 9.305 412 1HE MET 49 1HE MET 49 -24.670 -6.205 10.920 413 2HE MET 49 2HE MET 49 -25.533 -5.725 9.460 414 3HE MET 49 3HE MET 49 -26.357 -6.685 10.687 415 H ALA 50 H ALA 50 -20.451 -1.852 10.488 416 HA ALA 50 HA ALA 50 -20.946 -0.191 12.904 417 1HB ALA 50 1HB ALA 50 -19.221 -1.675 14.085 418 2HB ALA 50 2HB ALA 50 -19.446 -2.819 12.762 419 3HB ALA 50 3HB ALA 50 -20.802 -2.407 13.812 420 H LEU 51 H LEU 51 -18.988 1.020 13.519 421 HA LEU 51 HA LEU 51 -16.624 0.861 11.772 422 1HB LEU 51 2HB LEU 51 -16.974 3.169 10.912 423 2HB LEU 51 1HB LEU 51 -18.276 2.086 10.417 424 HG LEU 51 HG LEU 51 -18.727 3.405 13.012 425 1HD1 LEU 51 1HD1 LEU 51 -19.115 5.600 12.190 426 2HD1 LEU 51 2HD1 LEU 51 -18.958 5.086 10.510 427 3HD1 LEU 51 3HD1 LEU 51 -17.534 5.153 11.549 428 1HD2 LEU 51 1HD2 LEU 51 -20.626 2.352 12.243 429 2HD2 LEU 51 2HD2 LEU 51 -20.209 2.607 10.549 430 3HD2 LEU 51 3HD2 LEU 51 -20.885 3.930 11.499 431 H GLN 52 H GLN 52 -14.874 2.169 12.609 432 HA GLN 52 HA GLN 52 -15.366 3.234 15.372 433 1HB GLN 52 2HB GLN 52 -13.691 1.178 14.368 434 2HB GLN 52 1HB GLN 52 -12.627 2.512 14.816 435 1HG GLN 52 2HG GLN 52 -13.052 2.266 17.034 436 2HG GLN 52 1HG GLN 52 -14.771 1.968 16.766 437 1HE2 GLN 52 1HE2 GLN 52 -13.142 0.376 18.573 438 2HE2 GLN 52 2HE2 GLN 52 -13.080 -1.201 17.948 Start of MODEL 10 1 1H SER 1 1H SER 1 -17.013 8.032 3.206 2 2H SER 1 2H SER 1 -15.786 8.493 2.125 3 3H SER 1 3H SER 1 -15.432 7.456 3.424 4 HA SER 1 HA SER 1 -16.613 5.662 2.466 5 1HB SER 1 2HB SER 1 -18.588 6.832 1.828 6 2HB SER 1 1HB SER 1 -17.692 7.927 0.779 7 HG SER 1 HG SER 1 -18.109 6.542 -0.735 8 H ILE 2 H ILE 2 -15.657 4.349 0.818 9 HA ILE 2 HA ILE 2 -13.062 4.897 -0.063 10 HB ILE 2 HB ILE 2 -14.426 2.734 -0.080 11 1HG1 ILE 2 2HG1 ILE 2 -13.344 2.265 -2.569 12 2HG1 ILE 2 1HG1 ILE 2 -12.432 3.676 -2.035 13 1HG2 ILE 2 1HG2 ILE 2 -15.705 2.237 -2.089 14 2HG2 ILE 2 2HG2 ILE 2 -15.281 3.800 -2.787 15 3HG2 ILE 2 3HG2 ILE 2 -16.331 3.722 -1.371 16 1HD1 ILE 2 1HD1 ILE 2 -12.776 1.686 0.085 17 2HD1 ILE 2 2HD1 ILE 2 -11.305 2.481 -0.477 18 3HD1 ILE 2 3HD1 ILE 2 -11.908 1.049 -1.311 19 H SER 3 H SER 3 -12.206 5.648 -2.096 20 HA SER 3 HA SER 3 -14.021 6.776 -4.121 21 1HB SER 3 2HB SER 3 -13.598 8.328 -1.983 22 2HB SER 3 1HB SER 3 -12.123 8.715 -2.861 23 HG SER 3 HG SER 3 -14.815 8.999 -3.701 24 HA PRO 4 HA PRO 4 -9.941 5.411 -5.725 25 1HB PRO 4 2HB PRO 4 -10.961 4.182 -7.947 26 2HB PRO 4 1HB PRO 4 -10.837 3.375 -6.370 27 1HG PRO 4 2HG PRO 4 -13.204 4.592 -7.692 28 2HG PRO 4 1HG PRO 4 -13.092 3.137 -6.690 29 1HD PRO 4 2HD PRO 4 -14.031 5.551 -5.792 30 2HD PRO 4 1HD PRO 4 -13.314 4.307 -4.744 31 H ARG 5 H ARG 5 -12.716 6.714 -7.558 32 HA ARG 5 HA ARG 5 -10.796 8.350 -9.181 33 1HB ARG 5 2HB ARG 5 -13.669 7.585 -9.782 34 2HB ARG 5 1HB ARG 5 -12.487 8.255 -10.908 35 1HG ARG 5 2HG ARG 5 -11.065 6.167 -10.344 36 2HG ARG 5 1HG ARG 5 -12.558 5.501 -9.681 37 1HD ARG 5 2HD ARG 5 -13.191 6.635 -12.227 38 2HD ARG 5 1HD ARG 5 -11.760 5.604 -12.428 39 HE ARG 5 HE ARG 5 -14.367 4.700 -11.290 40 1HH1 ARG 5 1HH2 ARG 5 -12.239 3.131 -10.059 41 2HH1 ARG 5 2HH2 ARG 5 -11.965 1.852 -11.195 42 1HH2 ARG 5 1HH1 ARG 5 -13.568 3.475 -13.806 43 2HH2 ARG 5 2HH1 ARG 5 -12.719 2.048 -13.318 44 H THR 6 H THR 6 -12.688 10.200 -10.143 45 HA THR 6 HA THR 6 -13.033 11.897 -7.760 46 HB THR 6 HB THR 6 -13.997 13.236 -9.997 47 HG1 THR 6 HG1 THR 6 -11.722 11.797 -10.812 48 1HG2 THR 6 1HG2 THR 6 -12.424 14.593 -9.142 49 2HG2 THR 6 2HG2 THR 6 -11.191 13.596 -9.914 50 3HG2 THR 6 3HG2 THR 6 -11.701 13.248 -8.262 51 HA PRO 7 HA PRO 7 -17.587 11.820 -9.128 52 1HB PRO 7 2HB PRO 7 -18.285 10.394 -11.355 53 2HB PRO 7 1HB PRO 7 -17.760 12.089 -11.418 54 1HG PRO 7 2HG PRO 7 -16.226 9.611 -12.016 55 2HG PRO 7 1HG PRO 7 -16.193 11.182 -12.830 56 1HD PRO 7 2HD PRO 7 -14.286 10.363 -11.056 57 2HD PRO 7 1HD PRO 7 -14.698 12.067 -11.344 58 HA PRO 8 HA PRO 8 -17.758 7.759 -7.207 59 1HB PRO 8 2HB PRO 8 -19.848 8.346 -5.550 60 2HB PRO 8 1HB PRO 8 -18.178 8.842 -5.210 61 1HG PRO 8 2HG PRO 8 -20.448 10.437 -6.263 62 2HG PRO 8 1HG PRO 8 -19.130 10.921 -5.187 63 1HD PRO 8 2HD PRO 8 -19.253 11.498 -7.882 64 2HD PRO 8 1HD PRO 8 -17.763 11.471 -6.917 65 H ASN 9 H ASN 9 -18.748 7.706 -9.720 66 HA ASN 9 HA ASN 9 -21.427 7.648 -10.359 67 1HB ASN 9 2HB ASN 9 -20.828 6.084 -12.028 68 2HB ASN 9 1HB ASN 9 -19.329 6.945 -11.683 69 1HD2 ASN 9 1HD2 ASN 9 -20.897 3.831 -11.565 70 2HD2 ASN 9 2HD2 ASN 9 -19.591 2.972 -10.906 71 H CYS 10 H CYS 10 -23.027 5.936 -10.378 72 HA CYS 10 HA CYS 10 -23.331 4.652 -7.775 73 1HB CYS 10 2HB CYS 10 -25.228 5.611 -9.010 74 2HB CYS 10 1HB CYS 10 -24.872 4.616 -10.390 75 H ALA 11 H ALA 11 -22.670 2.532 -7.307 76 HA ALA 11 HA ALA 11 -21.476 0.944 -9.475 77 1HB ALA 11 1HB ALA 11 -21.837 -0.269 -6.817 78 2HB ALA 11 2HB ALA 11 -20.958 1.260 -6.813 79 3HB ALA 11 3HB ALA 11 -20.374 -0.093 -7.784 80 H ARG 12 H ARG 12 -24.609 1.232 -8.190 81 HA ARG 12 HA ARG 12 -25.372 -1.581 -8.439 82 1HB ARG 12 2HB ARG 12 -26.532 0.246 -7.131 83 2HB ARG 12 1HB ARG 12 -26.978 0.996 -8.655 84 1HG ARG 12 2HG ARG 12 -28.778 -0.303 -8.720 85 2HG ARG 12 1HG ARG 12 -27.723 -1.703 -8.887 86 1HD ARG 12 2HD ARG 12 -28.798 -0.510 -6.307 87 2HD ARG 12 1HD ARG 12 -29.092 -2.140 -6.949 88 HE ARG 12 HE ARG 12 -26.572 -2.486 -6.703 89 1HH1 ARG 12 1HH2 ARG 12 -28.524 -1.648 -4.220 90 2HH1 ARG 12 2HH2 ARG 12 -27.305 -0.948 -3.208 91 1HH2 ARG 12 1HH1 ARG 12 -24.881 -0.930 -5.686 92 2HH2 ARG 12 2HH1 ARG 12 -25.244 -0.541 -4.038 93 H CYS 13 H CYS 13 -25.685 1.293 -10.436 94 HA CYS 13 HA CYS 13 -26.590 -0.301 -12.740 95 1HB CYS 13 2HB CYS 13 -26.879 1.972 -13.706 96 2HB CYS 13 1HB CYS 13 -27.538 1.906 -12.088 97 H ARG 14 H ARG 14 -23.539 0.457 -11.388 98 HA ARG 14 HA ARG 14 -22.074 0.918 -13.882 99 1HB ARG 14 2HB ARG 14 -20.422 1.382 -12.396 100 2HB ARG 14 1HB ARG 14 -21.646 1.178 -11.163 101 1HG ARG 14 2HG ARG 14 -19.674 -0.921 -12.131 102 2HG ARG 14 1HG ARG 14 -19.726 -0.178 -10.539 103 1HD ARG 14 2HD ARG 14 -22.272 -1.293 -10.945 104 2HD ARG 14 1HD ARG 14 -21.115 -2.514 -11.487 105 HE ARG 14 HE ARG 14 -21.337 -1.491 -8.744 106 1HH1 ARG 14 1HH2 ARG 14 -20.855 -4.359 -9.389 107 2HH1 ARG 14 2HH2 ARG 14 -19.172 -4.544 -9.029 108 1HH2 ARG 14 1HH1 ARG 14 -18.523 -1.138 -9.030 109 2HH2 ARG 14 2HH1 ARG 14 -17.852 -2.721 -8.823 110 H ASN 15 H ASN 15 -23.387 -1.799 -12.315 111 HA ASN 15 HA ASN 15 -21.520 -3.825 -13.053 112 1HB ASN 15 2HB ASN 15 -24.433 -3.655 -12.309 113 2HB ASN 15 1HB ASN 15 -23.642 -5.202 -12.554 114 1HD2 ASN 15 1HD2 ASN 15 -24.327 -2.858 -10.283 115 2HD2 ASN 15 2HD2 ASN 15 -23.074 -3.118 -9.177 116 H HIS 16 H HIS 16 -24.349 -2.442 -14.560 117 HA HIS 16 HA HIS 16 -24.263 -4.300 -16.846 118 1HB HIS 16 2HB HIS 16 -26.020 -1.959 -16.055 119 2HB HIS 16 1HB HIS 16 -26.368 -3.107 -17.329 120 HD1 HIS 16 HD1 HIS 16 -27.536 -5.226 -16.692 121 HD2 HIS 16 HD2 HIS 16 -25.737 -3.325 -13.446 122 HE1 HIS 16 HE1 HIS 16 -28.157 -6.583 -14.629 123 H GLY 17 H GLY 17 -22.991 -1.216 -15.983 124 1HA GLY 17 2HA GLY 17 -21.261 -0.346 -17.576 125 2HA GLY 17 1HA GLY 17 -22.403 -0.695 -18.875 126 H LEU 18 H LEU 18 -23.820 0.492 -16.014 127 HA LEU 18 HA LEU 18 -24.583 2.979 -17.386 128 1HB LEU 18 2HB LEU 18 -25.773 1.210 -15.652 129 2HB LEU 18 1HB LEU 18 -25.310 2.518 -14.563 130 HG LEU 18 HG LEU 18 -27.544 2.954 -15.423 131 1HD1 LEU 18 1HD1 LEU 18 -25.939 4.826 -17.082 132 2HD1 LEU 18 2HD1 LEU 18 -25.518 4.725 -15.372 133 3HD1 LEU 18 3HD1 LEU 18 -27.156 5.171 -15.853 134 1HD2 LEU 18 1HD2 LEU 18 -27.844 1.889 -17.446 135 2HD2 LEU 18 2HD2 LEU 18 -26.207 2.244 -17.994 136 3HD2 LEU 18 3HD2 LEU 18 -27.448 3.496 -18.055 137 H LYS 19 H LYS 19 -24.076 5.071 -16.552 138 HA LYS 19 HA LYS 19 -22.156 5.299 -14.310 139 1HB LYS 19 2HB LYS 19 -21.654 5.991 -17.215 140 2HB LYS 19 1HB LYS 19 -20.732 6.746 -15.915 141 1HG LYS 19 2HG LYS 19 -20.968 3.758 -16.368 142 2HG LYS 19 1HG LYS 19 -19.575 4.743 -16.816 143 1HD LYS 19 2HD LYS 19 -20.145 5.351 -14.110 144 2HD LYS 19 1HD LYS 19 -20.218 3.595 -14.251 145 1HE LYS 19 2HE LYS 19 -17.946 4.959 -15.631 146 2HE LYS 19 1HE LYS 19 -17.884 4.866 -13.860 147 1HZ LYS 19 1HZ LYS 19 -17.225 2.766 -14.152 148 2HZ LYS 19 2HZ LYS 19 -17.646 2.762 -15.799 149 3HZ LYS 19 3HZ LYS 19 -18.819 2.420 -14.619 150 H ILE 20 H ILE 20 -23.898 6.396 -13.307 151 HA ILE 20 HA ILE 20 -24.884 8.890 -14.592 152 HB ILE 20 HB ILE 20 -26.841 8.394 -13.515 153 1HG1 ILE 20 2HG1 ILE 20 -25.558 8.872 -11.281 154 2HG1 ILE 20 1HG1 ILE 20 -27.133 8.143 -11.309 155 1HG2 ILE 20 1HG2 ILE 20 -26.160 6.267 -14.554 156 2HG2 ILE 20 2HG2 ILE 20 -27.274 6.078 -13.203 157 3HG2 ILE 20 3HG2 ILE 20 -25.558 5.745 -12.985 158 1HD1 ILE 20 1HD1 ILE 20 -25.605 6.914 -9.866 159 2HD1 ILE 20 2HD1 ILE 20 -24.548 6.619 -11.235 160 3HD1 ILE 20 3HD1 ILE 20 -26.165 5.919 -11.199 161 H THR 21 H THR 21 -22.524 7.952 -12.371 162 HA THR 21 HA THR 21 -21.084 9.348 -11.051 163 HB THR 21 HB THR 21 -23.089 11.566 -11.314 164 HG1 THR 21 HG1 THR 21 -22.765 11.715 -13.382 165 1HG2 THR 21 1HG2 THR 21 -21.362 12.726 -10.466 166 2HG2 THR 21 2HG2 THR 21 -20.392 12.299 -11.875 167 3HG2 THR 21 3HG2 THR 21 -20.380 11.262 -10.449 168 H LEU 22 H LEU 22 -24.079 8.291 -10.455 169 HA LEU 22 HA LEU 22 -25.491 8.028 -8.570 170 1HB LEU 22 2HB LEU 22 -23.415 6.801 -8.024 171 2HB LEU 22 1HB LEU 22 -22.768 8.259 -7.273 172 HG LEU 22 HG LEU 22 -25.403 7.751 -6.243 173 1HD1 LEU 22 1HD1 LEU 22 -25.040 5.599 -5.167 174 2HD1 LEU 22 2HD1 LEU 22 -23.432 5.475 -5.878 175 3HD1 LEU 22 3HD1 LEU 22 -24.860 5.393 -6.910 176 1HD2 LEU 22 1HD2 LEU 22 -23.867 9.054 -4.984 177 2HD2 LEU 22 2HD2 LEU 22 -22.588 7.849 -5.144 178 3HD2 LEU 22 3HD2 LEU 22 -23.975 7.531 -4.101 179 H LYS 23 H LYS 23 -24.738 10.924 -9.384 180 HA LYS 23 HA LYS 23 -24.787 12.354 -6.821 181 1HB LYS 23 2HB LYS 23 -23.998 12.893 -9.408 182 2HB LYS 23 1HB LYS 23 -25.531 13.760 -9.309 183 1HG LYS 23 2HG LYS 23 -24.484 15.403 -8.187 184 2HG LYS 23 1HG LYS 23 -24.177 14.264 -6.876 185 1HD LYS 23 2HD LYS 23 -22.061 13.638 -7.779 186 2HD LYS 23 1HD LYS 23 -22.407 14.421 -9.321 187 1HE LYS 23 2HE LYS 23 -22.431 16.633 -8.174 188 2HE LYS 23 1HE LYS 23 -21.999 15.824 -6.655 189 1HZ LYS 23 1HZ LYS 23 -20.435 15.235 -9.066 190 2HZ LYS 23 2HZ LYS 23 -19.951 15.221 -7.437 191 3HZ LYS 23 3HZ LYS 23 -20.142 16.696 -8.259 192 H GLY 24 H GLY 24 -26.733 12.291 -5.667 193 1HA GLY 24 2HA GLY 24 -29.071 12.192 -5.298 194 2HA GLY 24 1HA GLY 24 -29.155 13.388 -6.600 195 H HIS 25 H HIS 25 -28.201 9.972 -6.460 196 HA HIS 25 HA HIS 25 -29.895 9.454 -8.872 197 1HB HIS 25 2HB HIS 25 -27.490 9.287 -9.130 198 2HB HIS 25 1HB HIS 25 -27.374 8.241 -7.720 199 HD1 HIS 25 HD1 HIS 25 -29.349 8.155 -11.007 200 HD2 HIS 25 HD2 HIS 25 -27.074 5.650 -8.578 201 HE1 HIS 25 HE1 HIS 25 -29.040 5.965 -12.255 202 H LYS 26 H LYS 26 -28.528 6.775 -7.198 203 HA LYS 26 HA LYS 26 -29.602 4.881 -6.309 204 1HB LYS 26 2HB LYS 26 -29.370 6.296 -4.353 205 2HB LYS 26 1HB LYS 26 -30.783 7.246 -4.814 206 1HG LYS 26 2HG LYS 26 -32.263 5.397 -4.401 207 2HG LYS 26 1HG LYS 26 -30.911 4.280 -4.217 208 1HD LYS 26 2HD LYS 26 -30.277 5.201 -2.141 209 2HD LYS 26 1HD LYS 26 -31.190 6.683 -2.419 210 1HE LYS 26 2HE LYS 26 -33.209 5.716 -1.823 211 2HE LYS 26 1HE LYS 26 -32.709 4.100 -2.362 212 1HZ LYS 26 1HZ LYS 26 -32.030 5.517 0.125 213 2HZ LYS 26 2HZ LYS 26 -30.924 4.399 -0.517 214 3HZ LYS 26 3HZ LYS 26 -32.492 3.900 -0.094 215 H ARG 27 H ARG 27 -32.478 6.774 -5.645 216 HA ARG 27 HA ARG 27 -34.328 5.018 -6.796 217 1HB ARG 27 2HB ARG 27 -34.764 7.008 -5.329 218 2HB ARG 27 1HB ARG 27 -34.467 8.052 -6.720 219 1HG ARG 27 2HG ARG 27 -36.837 7.771 -6.620 220 2HG ARG 27 1HG ARG 27 -36.285 6.727 -7.931 221 1HD ARG 27 2HD ARG 27 -36.705 4.779 -6.742 222 2HD ARG 27 1HD ARG 27 -36.442 5.562 -5.170 223 HE ARG 27 HE ARG 27 -38.818 6.273 -6.843 224 1HH1 ARG 27 1HH2 ARG 27 -37.606 6.923 -3.885 225 2HH1 ARG 27 2HH2 ARG 27 -38.924 6.288 -2.960 226 1HH2 ARG 27 1HH1 ARG 27 -40.419 4.723 -5.669 227 2HH2 ARG 27 2HH1 ARG 27 -40.517 5.040 -3.970 228 H TYR 28 H TYR 28 -32.301 7.426 -8.350 229 HA TYR 28 HA TYR 28 -33.691 7.309 -10.934 230 1HB TYR 28 2HB TYR 28 -31.061 8.463 -9.946 231 2HB TYR 28 1HB TYR 28 -31.683 8.703 -11.581 232 HD1 TYR 28 HD1 TYR 28 -31.599 10.057 -8.325 233 HD2 TYR 28 HD2 TYR 28 -34.217 9.530 -11.691 234 HE1 TYR 28 HE1 TYR 28 -33.009 11.934 -7.522 235 HE2 TYR 28 HE2 TYR 28 -35.627 11.407 -10.887 236 HH TYR 28 HH TYR 28 -36.102 12.531 -8.672 237 H CYS 29 H CYS 29 -31.918 5.050 -9.370 238 HA CYS 29 HA CYS 29 -29.980 4.302 -11.416 239 1HB CYS 29 2HB CYS 29 -29.979 3.864 -8.857 240 2HB CYS 29 1HB CYS 29 -31.093 2.553 -9.224 241 H LYS 30 H LYS 30 -30.120 2.614 -12.884 242 HA LYS 30 HA LYS 30 -32.872 1.656 -13.513 243 1HB LYS 30 2HB LYS 30 -30.433 2.246 -14.940 244 2HB LYS 30 1HB LYS 30 -30.884 0.567 -15.243 245 1HG LYS 30 2HG LYS 30 -33.278 2.082 -15.342 246 2HG LYS 30 1HG LYS 30 -32.084 2.955 -16.304 247 1HD LYS 30 2HD LYS 30 -31.713 0.247 -16.956 248 2HD LYS 30 1HD LYS 30 -33.462 0.477 -16.916 249 1HE LYS 30 2HE LYS 30 -32.140 2.722 -18.227 250 2HE LYS 30 1HE LYS 30 -31.773 1.183 -19.032 251 1HZ LYS 30 1HZ LYS 30 -33.934 0.809 -19.521 252 2HZ LYS 30 2HZ LYS 30 -34.041 2.502 -19.434 253 3HZ LYS 30 3HZ LYS 30 -34.510 1.548 -18.108 254 H PHE 31 H PHE 31 -30.705 0.890 -11.321 255 HA PHE 31 HA PHE 31 -31.233 -2.041 -11.363 256 1HB PHE 31 2HB PHE 31 -28.531 -0.744 -10.859 257 2HB PHE 31 1HB PHE 31 -28.847 -2.468 -11.057 258 HD1 PHE 31 HD1 PHE 31 -28.817 0.810 -12.784 259 HD2 PHE 31 HD2 PHE 31 -29.079 -3.447 -13.232 260 HE1 PHE 31 HE1 PHE 31 -28.533 1.059 -15.222 261 HE2 PHE 31 HE2 PHE 31 -28.803 -3.206 -15.675 262 HZ PHE 31 HZ PHE 31 -28.525 -0.952 -16.683 263 H ARG 32 H ARG 32 -31.744 0.703 -9.806 264 HA ARG 32 HA ARG 32 -30.661 0.793 -7.282 265 1HB ARG 32 2HB ARG 32 -33.325 1.191 -6.701 266 2HB ARG 32 1HB ARG 32 -32.248 2.416 -7.356 267 1HG ARG 32 2HG ARG 32 -34.439 2.162 -8.585 268 2HG ARG 32 1HG ARG 32 -33.010 1.993 -9.589 269 1HD ARG 32 2HD ARG 32 -33.380 -0.258 -9.978 270 2HD ARG 32 1HD ARG 32 -34.126 -0.500 -8.385 271 HE ARG 32 HE ARG 32 -36.026 1.001 -9.395 272 1HH1 ARG 32 1HH2 ARG 32 -34.638 0.871 -12.122 273 2HH1 ARG 32 2HH2 ARG 32 -35.550 -0.383 -12.894 274 1HH2 ARG 32 1HH1 ARG 32 -36.959 -1.539 -9.944 275 2HH2 ARG 32 2HH1 ARG 32 -36.866 -1.746 -11.660 276 H TYR 33 H TYR 33 -32.742 -1.667 -8.559 277 HA TYR 33 HA TYR 33 -32.562 -3.119 -5.942 278 1HB TYR 33 2HB TYR 33 -34.934 -2.843 -7.816 279 2HB TYR 33 1HB TYR 33 -34.907 -3.843 -6.362 280 HD1 TYR 33 HD1 TYR 33 -36.169 -0.893 -7.484 281 HD2 TYR 33 HD2 TYR 33 -33.653 -2.344 -4.319 282 HE1 TYR 33 HE1 TYR 33 -36.754 1.087 -6.111 283 HE2 TYR 33 HE2 TYR 33 -34.238 -0.364 -2.945 284 HH TYR 33 HH TYR 33 -36.297 1.281 -2.878 285 H CYS 34 H CYS 34 -31.493 -3.145 -8.985 286 HA CYS 34 HA CYS 34 -32.133 -5.499 -10.305 287 1HB CYS 34 2HB CYS 34 -30.448 -3.762 -10.968 288 2HB CYS 34 1HB CYS 34 -29.367 -4.405 -9.731 289 H THR 35 H THR 35 -30.778 -7.594 -10.276 290 HA THR 35 HA THR 35 -29.892 -8.331 -7.520 291 HB THR 35 HB THR 35 -31.243 -10.453 -7.853 292 HG1 THR 35 HG1 THR 35 -32.710 -9.063 -9.776 293 1HG2 THR 35 1HG2 THR 35 -32.214 -7.735 -7.356 294 2HG2 THR 35 2HG2 THR 35 -32.523 -9.220 -6.455 295 3HG2 THR 35 3HG2 THR 35 -33.489 -8.834 -7.880 296 H CYS 36 H CYS 36 -29.100 -8.231 -10.770 297 HA CYS 36 HA CYS 36 -28.041 -10.708 -11.481 298 1HB CYS 36 2HB CYS 36 -26.595 -9.461 -12.912 299 2HB CYS 36 1HB CYS 36 -28.034 -8.464 -12.706 300 H GLU 37 H GLU 37 -25.567 -11.322 -11.316 301 HA GLU 37 HA GLU 37 -24.887 -11.419 -8.473 302 1HB GLU 37 2HB GLU 37 -24.583 -13.072 -10.576 303 2HB GLU 37 1HB GLU 37 -22.990 -12.315 -10.583 304 1HG GLU 37 2HG GLU 37 -22.444 -13.127 -8.467 305 2HG GLU 37 1HG GLU 37 -24.133 -13.303 -7.989 306 H LYS 38 H LYS 38 -24.318 -9.011 -10.726 307 HA LYS 38 HA LYS 38 -21.592 -8.365 -9.680 308 1HB LYS 38 2HB LYS 38 -23.191 -7.870 -12.113 309 2HB LYS 38 1HB LYS 38 -22.289 -6.461 -11.554 310 1HG LYS 38 2HG LYS 38 -20.230 -7.881 -11.443 311 2HG LYS 38 1HG LYS 38 -21.153 -9.207 -12.150 312 1HD LYS 38 2HD LYS 38 -21.000 -6.507 -13.490 313 2HD LYS 38 1HD LYS 38 -19.774 -7.744 -13.767 314 1HE LYS 38 2HE LYS 38 -21.961 -9.261 -14.163 315 2HE LYS 38 1HE LYS 38 -22.627 -7.685 -14.638 316 1HZ LYS 38 1HZ LYS 38 -19.931 -8.382 -15.548 317 2HZ LYS 38 2HZ LYS 38 -21.117 -7.431 -16.307 318 3HZ LYS 38 3HZ LYS 38 -21.241 -9.125 -16.328 319 H CYS 39 H CYS 39 -24.909 -7.531 -9.486 320 HA CYS 39 HA CYS 39 -24.511 -4.872 -8.292 321 1HB CYS 39 2HB CYS 39 -26.683 -6.667 -9.246 322 2HB CYS 39 1HB CYS 39 -27.111 -5.625 -7.903 323 H ARG 40 H ARG 40 -25.367 -8.202 -7.425 324 HA ARG 40 HA ARG 40 -25.806 -7.728 -4.608 325 1HB ARG 40 2HB ARG 40 -25.318 -10.079 -6.424 326 2HB ARG 40 1HB ARG 40 -25.324 -10.317 -4.677 327 1HG ARG 40 2HG ARG 40 -27.574 -9.487 -4.490 328 2HG ARG 40 1HG ARG 40 -27.572 -8.940 -6.167 329 1HD ARG 40 2HD ARG 40 -28.545 -10.951 -6.629 330 2HD ARG 40 1HD ARG 40 -26.924 -11.635 -6.392 331 HE ARG 40 HE ARG 40 -27.702 -11.584 -3.846 332 1HH1 ARG 40 1HH2 ARG 40 -28.862 -13.180 -6.578 333 2HH1 ARG 40 2HH2 ARG 40 -30.259 -13.852 -5.804 334 1HH2 ARG 40 1HH1 ARG 40 -29.811 -12.076 -2.860 335 2HH2 ARG 40 2HH1 ARG 40 -30.795 -13.227 -3.700 336 H LEU 41 H LEU 41 -23.065 -8.685 -6.614 337 HA LEU 41 HA LEU 41 -21.195 -9.211 -4.507 338 1HB LEU 41 2HB LEU 41 -20.108 -9.846 -6.397 339 2HB LEU 41 1HB LEU 41 -21.313 -9.022 -7.378 340 HG LEU 41 HG LEU 41 -20.046 -6.878 -7.012 341 1HD1 LEU 41 1HD1 LEU 41 -18.184 -6.784 -5.709 342 2HD1 LEU 41 2HD1 LEU 41 -17.593 -8.344 -6.280 343 3HD1 LEU 41 3HD1 LEU 41 -18.804 -8.274 -4.998 344 1HD2 LEU 41 1HD2 LEU 41 -18.981 -9.269 -8.456 345 2HD2 LEU 41 2HD2 LEU 41 -17.956 -7.836 -8.376 346 3HD2 LEU 41 3HD2 LEU 41 -19.560 -7.734 -9.102 347 H THR 42 H THR 42 -22.367 -6.307 -6.048 348 HA THR 42 HA THR 42 -20.385 -4.476 -5.000 349 HB THR 42 HB THR 42 -23.221 -4.195 -6.018 350 HG1 THR 42 HG1 THR 42 -21.132 -4.820 -7.277 351 1HG2 THR 42 1HG2 THR 42 -21.318 -1.895 -5.965 352 2HG2 THR 42 2HG2 THR 42 -22.112 -2.335 -4.452 353 3HG2 THR 42 3HG2 THR 42 -23.078 -1.897 -5.862 354 H ALA 43 H ALA 43 -23.838 -4.569 -4.214 355 HA ALA 43 HA ALA 43 -23.878 -3.205 -1.809 356 1HB ALA 43 1HB ALA 43 -25.487 -5.099 -3.237 357 2HB ALA 43 2HB ALA 43 -26.012 -3.933 -2.022 358 3HB ALA 43 3HB ALA 43 -25.505 -5.550 -1.534 359 H ASP 44 H ASP 44 -22.669 -6.431 -2.436 360 HA ASP 44 HA ASP 44 -22.360 -7.233 0.344 361 1HB ASP 44 2HB ASP 44 -22.572 -8.653 -1.785 362 2HB ASP 44 1HB ASP 44 -20.893 -8.226 -2.114 363 H ARG 45 H ARG 45 -20.254 -5.852 -2.169 364 HA ARG 45 HA ARG 45 -17.757 -5.931 -0.881 365 1HB ARG 45 2HB ARG 45 -18.724 -5.006 -3.208 366 2HB ARG 45 1HB ARG 45 -18.603 -3.467 -2.354 367 1HG ARG 45 2HG ARG 45 -16.284 -3.616 -2.133 368 2HG ARG 45 1HG ARG 45 -16.284 -5.374 -2.286 369 1HD ARG 45 2HD ARG 45 -17.238 -4.816 -4.717 370 2HD ARG 45 1HD ARG 45 -16.372 -3.293 -4.436 371 HE ARG 45 HE ARG 45 -15.106 -5.999 -4.347 372 1HH1 ARG 45 1HH2 ARG 45 -14.570 -2.870 -3.299 373 2HH1 ARG 45 2HH2 ARG 45 -13.057 -2.660 -4.116 374 1HH2 ARG 45 1HH1 ARG 45 -13.324 -5.607 -5.926 375 2HH2 ARG 45 2HH1 ARG 45 -12.352 -4.210 -5.604 376 H GLN 46 H GLN 46 -20.496 -3.754 -0.357 377 HA GLN 46 HA GLN 46 -19.389 -1.654 1.095 378 1HB GLN 46 2HB GLN 46 -21.808 -2.169 0.457 379 2HB GLN 46 1HB GLN 46 -21.876 -3.187 1.897 380 1HG GLN 46 2HG GLN 46 -22.522 -1.264 2.934 381 2HG GLN 46 1HG GLN 46 -20.796 -0.900 2.928 382 1HE2 GLN 46 1HE2 GLN 46 -23.582 0.645 2.343 383 2HE2 GLN 46 2HE2 GLN 46 -23.135 1.639 1.042 384 H ARG 47 H ARG 47 -19.961 -4.981 2.191 385 HA ARG 47 HA ARG 47 -19.326 -4.470 4.979 386 1HB ARG 47 2HB ARG 47 -20.105 -6.647 3.214 387 2HB ARG 47 1HB ARG 47 -18.867 -7.173 4.356 388 1HG ARG 47 2HG ARG 47 -20.195 -6.366 6.235 389 2HG ARG 47 1HG ARG 47 -21.408 -5.714 5.132 390 1HD ARG 47 2HD ARG 47 -21.606 -8.136 4.222 391 2HD ARG 47 1HD ARG 47 -20.774 -8.609 5.718 392 HE ARG 47 HE ARG 47 -22.660 -7.041 6.774 393 1HH1 ARG 47 1HH2 ARG 47 -23.960 -7.317 3.949 394 2HH1 ARG 47 2HH2 ARG 47 -25.151 -8.527 4.288 395 1HH2 ARG 47 1HH1 ARG 47 -23.735 -9.452 7.313 396 2HH2 ARG 47 2HH1 ARG 47 -25.025 -9.734 6.193 397 H VAL 48 H VAL 48 -17.267 -3.612 5.325 398 HA VAL 48 HA VAL 48 -14.958 -5.091 4.104 399 HB VAL 48 HB VAL 48 -15.142 -2.235 5.119 400 1HG1 VAL 48 1HG1 VAL 48 -12.994 -1.943 4.020 401 2HG1 VAL 48 2HG1 VAL 48 -13.046 -3.592 3.397 402 3HG1 VAL 48 3HG1 VAL 48 -12.873 -3.309 5.129 403 1HG2 VAL 48 1HG2 VAL 48 -14.979 -3.118 2.236 404 2HG2 VAL 48 2HG2 VAL 48 -15.437 -1.539 2.875 405 3HG2 VAL 48 3HG2 VAL 48 -16.534 -2.911 3.041 406 H MET 49 H MET 49 -14.701 -6.613 5.823 407 HA MET 49 HA MET 49 -14.027 -5.426 8.496 408 1HB MET 49 2HB MET 49 -15.860 -7.455 7.642 409 2HB MET 49 1HB MET 49 -14.609 -8.225 8.620 410 1HG MET 49 2HG MET 49 -16.006 -7.545 10.321 411 2HG MET 49 1HG MET 49 -15.046 -6.074 10.160 412 1HE MET 49 1HE MET 49 -19.315 -6.239 10.338 413 2HE MET 49 2HE MET 49 -18.043 -5.814 11.480 414 3HE MET 49 3HE MET 49 -18.079 -7.428 10.774 415 H ALA 50 H ALA 50 -12.836 -7.124 5.785 416 HA ALA 50 HA ALA 50 -10.365 -7.852 7.315 417 1HB ALA 50 1HB ALA 50 -11.649 -9.872 6.982 418 2HB ALA 50 2HB ALA 50 -10.321 -9.904 5.823 419 3HB ALA 50 3HB ALA 50 -11.944 -9.466 5.291 420 H LEU 51 H LEU 51 -8.449 -7.379 6.212 421 HA LEU 51 HA LEU 51 -8.728 -6.300 3.424 422 1HB LEU 51 2HB LEU 51 -8.294 -4.787 5.568 423 2HB LEU 51 1HB LEU 51 -6.634 -5.339 5.342 424 HG LEU 51 HG LEU 51 -7.129 -4.679 2.813 425 1HD1 LEU 51 1HD1 LEU 51 -9.523 -4.093 3.431 426 2HD1 LEU 51 2HD1 LEU 51 -8.637 -2.823 2.587 427 3HD1 LEU 51 3HD1 LEU 51 -8.872 -2.723 4.331 428 1HD2 LEU 51 1HD2 LEU 51 -5.343 -3.696 4.146 429 2HD2 LEU 51 2HD2 LEU 51 -6.506 -2.732 5.057 430 3HD2 LEU 51 3HD2 LEU 51 -6.228 -2.396 3.349 431 H GLN 52 H GLN 52 -7.460 -7.390 1.978 432 HA GLN 52 HA GLN 52 -5.041 -8.828 3.021 433 1HB GLN 52 2HB GLN 52 -6.952 -10.330 2.561 434 2HB GLN 52 1HB GLN 52 -7.054 -9.694 0.919 435 1HG GLN 52 2HG GLN 52 -5.673 -11.421 0.391 436 2HG GLN 52 1HG GLN 52 -4.407 -10.397 1.068 437 1HE2 GLN 52 1HE2 GLN 52 -6.733 -12.978 1.987 438 2HE2 GLN 52 2HE2 GLN 52 -5.795 -13.575 3.269 Start of MODEL 11 1 1H SER 1 1H SER 1 -9.333 13.070 -16.834 2 2H SER 1 2H SER 1 -10.470 12.985 -15.575 3 3H SER 1 3H SER 1 -8.896 13.543 -15.265 4 HA SER 1 HA SER 1 -9.257 15.584 -16.279 5 1HB SER 1 1HB SER 1 -11.415 13.994 -17.684 6 2HB SER 1 2HB SER 1 -9.981 14.734 -18.391 7 HG SER 1 HG SER 1 -12.144 16.129 -17.209 8 H ILE 2 H ILE 2 -10.252 17.158 -15.038 9 HA ILE 2 HA ILE 2 -11.600 18.027 -13.294 10 HB ILE 2 HB ILE 2 -13.536 16.430 -15.002 11 1HG1 ILE 2 2HG1 ILE 2 -13.016 19.411 -14.991 12 2HG1 ILE 2 1HG1 ILE 2 -12.115 18.306 -16.030 13 1HG2 ILE 2 1HG2 ILE 2 -14.312 17.101 -12.636 14 2HG2 ILE 2 2HG2 ILE 2 -15.321 17.615 -13.988 15 3HG2 ILE 2 3HG2 ILE 2 -14.229 18.764 -13.216 16 1HD1 ILE 2 1HD1 ILE 2 -14.001 19.176 -17.291 17 2HD1 ILE 2 2HD1 ILE 2 -15.117 18.723 -16.003 18 3HD1 ILE 2 3HD1 ILE 2 -14.300 17.473 -16.940 19 H SER 3 H SER 3 -10.699 16.803 -11.511 20 HA SER 3 HA SER 3 -12.553 14.725 -10.460 21 1HB SER 3 2HB SER 3 -10.316 13.465 -9.890 22 2HB SER 3 1HB SER 3 -10.996 13.327 -11.509 23 HG SER 3 HG SER 3 -8.752 13.862 -11.508 24 HA PRO 4 HA PRO 4 -10.549 17.744 -7.417 25 1HB PRO 4 2HB PRO 4 -12.730 19.323 -6.927 26 2HB PRO 4 1HB PRO 4 -11.544 19.682 -8.199 27 1HG PRO 4 2HG PRO 4 -14.239 18.442 -8.421 28 2HG PRO 4 1HG PRO 4 -13.430 19.588 -9.500 29 1HD PRO 4 2HD PRO 4 -13.612 16.910 -10.002 30 2HD PRO 4 1HD PRO 4 -12.303 17.944 -10.618 31 H ARG 5 H ARG 5 -14.053 16.951 -7.299 32 HA ARG 5 HA ARG 5 -13.628 15.157 -5.004 33 1HB ARG 5 2HB ARG 5 -14.435 17.988 -4.792 34 2HB ARG 5 1HB ARG 5 -15.480 16.872 -3.911 35 1HG ARG 5 2HG ARG 5 -13.933 16.760 -2.284 36 2HG ARG 5 1HG ARG 5 -12.815 16.031 -3.438 37 1HD ARG 5 2HD ARG 5 -11.746 18.022 -2.541 38 2HD ARG 5 1HD ARG 5 -12.239 18.395 -4.205 39 HE ARG 5 HE ARG 5 -14.071 19.704 -3.337 40 1HH1 ARG 5 1HH2 ARG 5 -14.566 17.889 -0.928 41 2HH1 ARG 5 2HH2 ARG 5 -14.139 18.945 0.376 42 1HH2 ARG 5 1HH1 ARG 5 -12.471 21.209 -1.654 43 2HH2 ARG 5 2HH1 ARG 5 -12.954 20.826 -0.036 44 H THR 6 H THR 6 -14.688 14.373 -7.378 45 HA THR 6 HA THR 6 -17.660 14.536 -7.123 46 HB THR 6 HB THR 6 -17.194 13.272 -9.466 47 HG1 THR 6 HG1 THR 6 -15.013 15.022 -9.337 48 1HG2 THR 6 1HG2 THR 6 -18.325 15.189 -9.882 49 2HG2 THR 6 2HG2 THR 6 -16.737 15.890 -10.192 50 3HG2 THR 6 3HG2 THR 6 -17.483 16.065 -8.604 51 HA PRO 7 HA PRO 7 -17.836 10.386 -5.677 52 1HB PRO 7 2HB PRO 7 -20.333 9.706 -6.564 53 2HB PRO 7 1HB PRO 7 -20.061 10.804 -5.196 54 1HG PRO 7 2HG PRO 7 -20.742 11.438 -8.022 55 2HG PRO 7 1HG PRO 7 -21.309 12.199 -6.528 56 1HD PRO 7 2HD PRO 7 -19.385 13.273 -8.133 57 2HD PRO 7 1HD PRO 7 -19.482 13.569 -6.382 58 HA PRO 8 HA PRO 8 -16.725 7.927 -9.164 59 1HB PRO 8 2HB PRO 8 -16.762 5.466 -7.984 60 2HB PRO 8 1HB PRO 8 -15.493 6.666 -7.676 61 1HG PRO 8 2HG PRO 8 -17.789 5.870 -5.989 62 2HG PRO 8 1HG PRO 8 -16.179 6.432 -5.521 63 1HD PRO 8 2HD PRO 8 -18.500 7.966 -5.505 64 2HD PRO 8 1HD PRO 8 -16.842 8.597 -5.457 65 H ASN 9 H ASN 9 -19.340 8.644 -9.466 66 HA ASN 9 HA ASN 9 -21.442 7.954 -10.312 67 1HB ASN 9 2HB ASN 9 -21.142 6.535 -12.145 68 2HB ASN 9 1HB ASN 9 -19.507 7.133 -11.873 69 1HD2 ASN 9 1HD2 ASN 9 -17.934 5.532 -11.713 70 2HD2 ASN 9 2HD2 ASN 9 -18.231 3.910 -11.310 71 H CYS 10 H CYS 10 -23.025 6.081 -10.411 72 HA CYS 10 HA CYS 10 -23.258 4.880 -7.750 73 1HB CYS 10 2HB CYS 10 -25.216 5.770 -8.932 74 2HB CYS 10 1HB CYS 10 -24.871 4.781 -10.316 75 H ALA 11 H ALA 11 -22.852 2.674 -7.274 76 HA ALA 11 HA ALA 11 -21.458 1.178 -9.367 77 1HB ALA 11 1HB ALA 11 -21.587 1.250 -6.482 78 2HB ALA 11 2HB ALA 11 -20.326 0.578 -7.516 79 3HB ALA 11 3HB ALA 11 -21.718 -0.407 -7.068 80 H ARG 12 H ARG 12 -24.580 1.143 -7.846 81 HA ARG 12 HA ARG 12 -25.423 -1.523 -8.391 82 1HB ARG 12 2HB ARG 12 -26.561 0.308 -7.084 83 2HB ARG 12 1HB ARG 12 -26.950 1.087 -8.608 84 1HG ARG 12 2HG ARG 12 -28.879 -0.136 -8.268 85 2HG ARG 12 1HG ARG 12 -27.929 -1.271 -9.227 86 1HD ARG 12 2HD ARG 12 -29.004 -2.270 -7.134 87 2HD ARG 12 1HD ARG 12 -27.246 -2.487 -7.238 88 HE ARG 12 HE ARG 12 -27.063 -1.094 -5.347 89 1HH1 ARG 12 1HH2 ARG 12 -29.993 -1.498 -4.751 90 2HH1 ARG 12 2HH2 ARG 12 -30.559 0.135 -4.650 91 1HH2 ARG 12 1HH1 ARG 12 -27.774 1.477 -6.220 92 2HH2 ARG 12 2HH1 ARG 12 -29.304 1.819 -5.484 93 H CYS 13 H CYS 13 -25.653 1.409 -10.352 94 HA CYS 13 HA CYS 13 -26.649 -0.127 -12.627 95 1HB CYS 13 2HB CYS 13 -26.737 2.149 -13.657 96 2HB CYS 13 1HB CYS 13 -27.475 2.105 -12.076 97 H ARG 14 H ARG 14 -23.372 0.951 -11.655 98 HA ARG 14 HA ARG 14 -22.290 0.889 -14.352 99 1HB ARG 14 2HB ARG 14 -20.115 0.438 -13.143 100 2HB ARG 14 1HB ARG 14 -20.991 1.845 -12.545 101 1HG ARG 14 2HG ARG 14 -20.280 0.614 -10.621 102 2HG ARG 14 1HG ARG 14 -21.999 0.346 -10.800 103 1HD ARG 14 2HD ARG 14 -21.688 -1.878 -10.906 104 2HD ARG 14 1HD ARG 14 -20.542 -1.685 -12.248 105 HE ARG 14 HE ARG 14 -19.284 -0.816 -9.832 106 1HH1 ARG 14 1HH2 ARG 14 -19.356 -3.275 -12.096 107 2HH1 ARG 14 2HH2 ARG 14 -18.671 -4.488 -11.066 108 1HH2 ARG 14 1HH1 ARG 14 -18.840 -2.533 -8.208 109 2HH2 ARG 14 2HH1 ARG 14 -18.377 -4.066 -8.867 110 H ASN 15 H ASN 15 -23.159 -1.545 -12.054 111 HA ASN 15 HA ASN 15 -21.710 -3.791 -12.713 112 1HB ASN 15 2HB ASN 15 -24.640 -3.309 -12.178 113 2HB ASN 15 1HB ASN 15 -23.960 -4.929 -12.217 114 1HD2 ASN 15 1HD2 ASN 15 -24.884 -2.740 -10.058 115 2HD2 ASN 15 2HD2 ASN 15 -23.672 -2.856 -8.885 116 H HIS 16 H HIS 16 -24.306 -2.281 -14.475 117 HA HIS 16 HA HIS 16 -24.186 -4.317 -16.636 118 1HB HIS 16 2HB HIS 16 -26.052 -2.040 -15.923 119 2HB HIS 16 1HB HIS 16 -26.322 -3.178 -17.224 120 HD1 HIS 16 HD1 HIS 16 -27.181 -5.493 -16.659 121 HD2 HIS 16 HD2 HIS 16 -26.016 -3.284 -13.326 122 HE1 HIS 16 HE1 HIS 16 -27.844 -6.867 -14.622 123 H GLY 17 H GLY 17 -22.945 -1.213 -15.913 124 1HA GLY 17 2HA GLY 17 -21.272 -0.332 -17.540 125 2HA GLY 17 1HA GLY 17 -22.399 -0.774 -18.826 126 H LEU 18 H LEU 18 -23.428 0.671 -15.816 127 HA LEU 18 HA LEU 18 -24.450 3.014 -17.346 128 1HB LEU 18 2HB LEU 18 -25.579 1.238 -15.598 129 2HB LEU 18 1HB LEU 18 -25.164 2.564 -14.511 130 HG LEU 18 HG LEU 18 -27.447 2.798 -15.472 131 1HD1 LEU 18 1HD1 LEU 18 -27.213 5.051 -15.526 132 2HD1 LEU 18 2HD1 LEU 18 -26.014 4.990 -16.818 133 3HD1 LEU 18 3HD1 LEU 18 -25.525 4.712 -15.147 134 1HD2 LEU 18 1HD2 LEU 18 -26.499 3.611 -18.120 135 2HD2 LEU 18 2HD2 LEU 18 -27.850 2.563 -17.688 136 3HD2 LEU 18 3HD2 LEU 18 -26.220 1.899 -17.800 137 H LYS 19 H LYS 19 -24.117 5.169 -16.428 138 HA LYS 19 HA LYS 19 -22.158 5.490 -14.241 139 1HB LYS 19 2HB LYS 19 -21.293 5.257 -16.849 140 2HB LYS 19 1HB LYS 19 -21.468 7.004 -16.681 141 1HG LYS 19 2HG LYS 19 -19.199 6.266 -16.029 142 2HG LYS 19 1HG LYS 19 -20.063 6.962 -14.658 143 1HD LYS 19 2HD LYS 19 -20.187 4.964 -13.551 144 2HD LYS 19 1HD LYS 19 -20.407 4.042 -15.037 145 1HE LYS 19 2HE LYS 19 -17.779 5.192 -15.085 146 2HE LYS 19 1HE LYS 19 -18.005 4.345 -13.542 147 1HZ LYS 19 1HZ LYS 19 -18.497 2.373 -14.582 148 2HZ LYS 19 2HZ LYS 19 -17.343 3.005 -15.656 149 3HZ LYS 19 3HZ LYS 19 -18.998 3.117 -16.022 150 H ILE 20 H ILE 20 -23.875 6.584 -13.203 151 HA ILE 20 HA ILE 20 -24.958 9.025 -14.528 152 HB ILE 20 HB ILE 20 -26.903 8.469 -13.464 153 1HG1 ILE 20 2HG1 ILE 20 -25.661 9.036 -11.226 154 2HG1 ILE 20 1HG1 ILE 20 -27.208 8.242 -11.246 155 1HG2 ILE 20 1HG2 ILE 20 -25.526 5.882 -12.869 156 2HG2 ILE 20 2HG2 ILE 20 -26.130 6.350 -14.452 157 3HG2 ILE 20 3HG2 ILE 20 -27.253 6.143 -13.111 158 1HD1 ILE 20 1HD1 ILE 20 -25.650 7.096 -9.775 159 2HD1 ILE 20 2HD1 ILE 20 -24.557 6.837 -11.124 160 3HD1 ILE 20 3HD1 ILE 20 -26.139 6.061 -11.104 161 H THR 21 H THR 21 -22.538 8.207 -12.358 162 HA THR 21 HA THR 21 -21.137 9.668 -11.069 163 HB THR 21 HB THR 21 -23.256 11.789 -11.215 164 HG1 THR 21 HG1 THR 21 -22.541 12.295 -13.290 165 1HG2 THR 21 1HG2 THR 21 -20.648 12.680 -11.898 166 2HG2 THR 21 2HG2 THR 21 -20.476 11.590 -10.523 167 3HG2 THR 21 3HG2 THR 21 -21.538 12.993 -10.409 168 H LEU 22 H LEU 22 -24.140 8.533 -10.407 169 HA LEU 22 HA LEU 22 -25.405 8.120 -8.454 170 1HB LEU 22 2HB LEU 22 -23.489 6.924 -7.802 171 2HB LEU 22 1HB LEU 22 -22.540 8.391 -7.569 172 HG LEU 22 HG LEU 22 -23.784 8.968 -5.584 173 1HD1 LEU 22 1HD1 LEU 22 -25.948 8.370 -5.389 174 2HD1 LEU 22 2HD1 LEU 22 -25.460 6.684 -5.217 175 3HD1 LEU 22 3HD1 LEU 22 -25.798 7.344 -6.816 176 1HD2 LEU 22 1HD2 LEU 22 -23.624 6.544 -4.405 177 2HD2 LEU 22 2HD2 LEU 22 -22.198 7.510 -4.787 178 3HD2 LEU 22 3HD2 LEU 22 -22.701 6.212 -5.870 179 H LYS 23 H LYS 23 -24.623 11.129 -9.251 180 HA LYS 23 HA LYS 23 -24.945 12.498 -6.681 181 1HB LYS 23 2HB LYS 23 -23.699 13.391 -8.668 182 2HB LYS 23 1HB LYS 23 -25.227 13.471 -9.548 183 1HG LYS 23 2HG LYS 23 -26.047 15.216 -8.239 184 2HG LYS 23 1HG LYS 23 -25.005 14.814 -6.873 185 1HD LYS 23 2HD LYS 23 -23.051 15.434 -8.483 186 2HD LYS 23 1HD LYS 23 -24.299 16.257 -9.420 187 1HE LYS 23 2HE LYS 23 -24.464 17.949 -7.906 188 2HE LYS 23 1HE LYS 23 -24.430 16.829 -6.529 189 1HZ LYS 23 1HZ LYS 23 -22.375 18.385 -7.142 190 2HZ LYS 23 2HZ LYS 23 -21.989 17.041 -8.107 191 3HZ LYS 23 3HZ LYS 23 -22.184 16.857 -6.429 192 H GLY 24 H GLY 24 -26.975 12.425 -5.677 193 1HA GLY 24 2HA GLY 24 -29.330 12.229 -5.489 194 2HA GLY 24 1HA GLY 24 -29.361 13.386 -6.830 195 H HIS 25 H HIS 25 -28.777 9.922 -6.207 196 HA HIS 25 HA HIS 25 -30.155 9.320 -8.801 197 1HB HIS 25 2HB HIS 25 -27.739 9.379 -9.054 198 2HB HIS 25 1HB HIS 25 -27.534 8.330 -7.659 199 HD1 HIS 25 HD1 HIS 25 -29.450 8.133 -10.972 200 HD2 HIS 25 HD2 HIS 25 -27.045 5.780 -8.521 201 HE1 HIS 25 HE1 HIS 25 -29.006 5.962 -12.208 202 H LYS 26 H LYS 26 -28.553 6.753 -7.166 203 HA LYS 26 HA LYS 26 -29.467 4.757 -6.304 204 1HB LYS 26 2HB LYS 26 -30.259 7.126 -4.702 205 2HB LYS 26 1HB LYS 26 -31.128 5.635 -4.331 206 1HG LYS 26 2HG LYS 26 -28.965 4.453 -4.072 207 2HG LYS 26 1HG LYS 26 -28.114 5.964 -4.390 208 1HD LYS 26 2HD LYS 26 -28.230 6.383 -2.179 209 2HD LYS 26 1HD LYS 26 -29.968 6.599 -2.387 210 1HE LYS 26 2HE LYS 26 -30.039 4.888 -0.833 211 2HE LYS 26 1HE LYS 26 -29.851 3.885 -2.285 212 1HZ LYS 26 1HZ LYS 26 -27.523 5.041 -0.869 213 2HZ LYS 26 2HZ LYS 26 -27.546 3.772 -1.999 214 3HZ LYS 26 3HZ LYS 26 -28.165 3.533 -0.435 215 H ARG 27 H ARG 27 -32.427 6.433 -5.468 216 HA ARG 27 HA ARG 27 -34.211 4.575 -6.538 217 1HB ARG 27 2HB ARG 27 -34.516 6.738 -5.106 218 2HB ARG 27 1HB ARG 27 -34.732 7.545 -6.660 219 1HG ARG 27 2HG ARG 27 -36.925 6.922 -5.951 220 2HG ARG 27 1HG ARG 27 -36.474 5.749 -7.191 221 1HD ARG 27 2HD ARG 27 -36.090 4.037 -5.612 222 2HD ARG 27 1HD ARG 27 -35.931 5.189 -4.271 223 HE ARG 27 HE ARG 27 -38.504 4.509 -5.630 224 1HH1 ARG 27 1HH2 ARG 27 -37.793 7.254 -4.191 225 2HH1 ARG 27 2HH2 ARG 27 -38.667 7.012 -2.716 226 1HH2 ARG 27 1HH1 ARG 27 -39.155 3.622 -3.248 227 2HH2 ARG 27 2HH1 ARG 27 -39.437 4.957 -2.181 228 H TYR 28 H TYR 28 -32.498 7.171 -8.202 229 HA TYR 28 HA TYR 28 -33.985 6.962 -10.698 230 1HB TYR 28 2HB TYR 28 -31.331 8.166 -9.851 231 2HB TYR 28 1HB TYR 28 -32.012 8.366 -11.470 232 HD1 TYR 28 HD1 TYR 28 -31.881 9.739 -8.213 233 HD2 TYR 28 HD2 TYR 28 -34.535 9.165 -11.540 234 HE1 TYR 28 HE1 TYR 28 -33.306 11.596 -7.396 235 HE2 TYR 28 HE2 TYR 28 -35.961 11.022 -10.724 236 HH TYR 28 HH TYR 28 -36.417 12.300 -8.852 237 H CYS 29 H CYS 29 -31.475 5.163 -9.207 238 HA CYS 29 HA CYS 29 -29.844 4.270 -11.289 239 1HB CYS 29 2HB CYS 29 -29.956 3.698 -8.725 240 2HB CYS 29 1HB CYS 29 -30.983 2.377 -9.253 241 H LYS 30 H LYS 30 -29.960 2.623 -12.795 242 HA LYS 30 HA LYS 30 -32.703 1.713 -13.545 243 1HB LYS 30 2HB LYS 30 -31.494 2.580 -15.396 244 2HB LYS 30 1HB LYS 30 -29.973 1.893 -14.837 245 1HG LYS 30 2HG LYS 30 -30.807 0.648 -16.783 246 2HG LYS 30 1HG LYS 30 -30.825 -0.379 -15.356 247 1HD LYS 30 2HD LYS 30 -32.910 -0.393 -16.871 248 2HD LYS 30 1HD LYS 30 -33.155 -0.251 -15.131 249 1HE LYS 30 2HE LYS 30 -33.739 2.019 -15.265 250 2HE LYS 30 1HE LYS 30 -32.891 2.243 -16.809 251 1HZ LYS 30 1HZ LYS 30 -35.151 2.071 -17.375 252 2HZ LYS 30 2HZ LYS 30 -35.418 0.779 -16.306 253 3HZ LYS 30 3HZ LYS 30 -34.506 0.541 -17.719 254 H PHE 31 H PHE 31 -30.455 0.907 -11.406 255 HA PHE 31 HA PHE 31 -30.891 -2.037 -11.575 256 1HB PHE 31 2HB PHE 31 -28.290 -0.516 -11.117 257 2HB PHE 31 1HB PHE 31 -28.422 -2.278 -11.196 258 HD1 PHE 31 HD1 PHE 31 -28.558 0.866 -13.089 259 HD2 PHE 31 HD2 PHE 31 -28.951 -3.400 -13.308 260 HE1 PHE 31 HE1 PHE 31 -28.493 0.995 -15.552 261 HE2 PHE 31 HE2 PHE 31 -28.901 -3.278 -15.774 262 HZ PHE 31 HZ PHE 31 -28.678 -1.080 -16.909 263 H ARG 32 H ARG 32 -31.451 0.669 -9.871 264 HA ARG 32 HA ARG 32 -30.444 0.459 -7.285 265 1HB ARG 32 2HB ARG 32 -32.960 1.252 -6.742 266 2HB ARG 32 1HB ARG 32 -31.772 2.311 -7.485 267 1HG ARG 32 2HG ARG 32 -34.080 2.230 -8.585 268 2HG ARG 32 1HG ARG 32 -32.702 2.004 -9.642 269 1HD ARG 32 2HD ARG 32 -33.161 -0.256 -9.993 270 2HD ARG 32 1HD ARG 32 -34.011 -0.411 -8.442 271 HE ARG 32 HE ARG 32 -35.895 0.828 -9.413 272 1HH1 ARG 32 1HH2 ARG 32 -34.013 2.039 -11.590 273 2HH1 ARG 32 2HH2 ARG 32 -34.670 1.281 -13.003 274 1HH2 ARG 32 1HH1 ARG 32 -36.474 -1.084 -11.218 275 2HH2 ARG 32 2HH1 ARG 32 -36.061 -0.488 -12.792 276 H TYR 33 H TYR 33 -32.605 -1.704 -8.885 277 HA TYR 33 HA TYR 33 -33.023 -3.177 -6.303 278 1HB TYR 33 2HB TYR 33 -34.898 -2.661 -8.630 279 2HB TYR 33 1HB TYR 33 -35.253 -3.793 -7.325 280 HD1 TYR 33 HD1 TYR 33 -36.380 -0.854 -8.306 281 HD2 TYR 33 HD2 TYR 33 -34.150 -2.402 -4.976 282 HE1 TYR 33 HE1 TYR 33 -37.185 1.020 -6.894 283 HE2 TYR 33 HE2 TYR 33 -34.956 -0.529 -3.565 284 HH TYR 33 HH TYR 33 -35.804 1.916 -4.071 285 H CYS 34 H CYS 34 -31.695 -3.262 -9.396 286 HA CYS 34 HA CYS 34 -32.203 -5.741 -10.522 287 1HB CYS 34 2HB CYS 34 -30.551 -3.983 -11.274 288 2HB CYS 34 1HB CYS 34 -29.469 -4.547 -10.002 289 H THR 35 H THR 35 -30.803 -7.778 -10.302 290 HA THR 35 HA THR 35 -29.864 -8.247 -7.511 291 HB THR 35 HB THR 35 -31.196 -10.506 -7.838 292 HG1 THR 35 HG1 THR 35 -31.746 -9.900 -10.023 293 1HG2 THR 35 1HG2 THR 35 -33.324 -9.146 -7.081 294 2HG2 THR 35 2HG2 THR 35 -32.202 -7.786 -7.075 295 3HG2 THR 35 3HG2 THR 35 -31.892 -9.189 -6.051 296 H CYS 36 H CYS 36 -29.026 -8.303 -10.664 297 HA CYS 36 HA CYS 36 -28.042 -10.845 -11.303 298 1HB CYS 36 2HB CYS 36 -26.523 -9.661 -12.742 299 2HB CYS 36 1HB CYS 36 -27.998 -8.698 -12.647 300 H GLU 37 H GLU 37 -25.466 -11.291 -11.221 301 HA GLU 37 HA GLU 37 -24.796 -11.459 -8.372 302 1HB GLU 37 2HB GLU 37 -22.968 -12.851 -9.218 303 2HB GLU 37 1HB GLU 37 -24.458 -13.268 -10.064 304 1HG GLU 37 2HG GLU 37 -23.681 -12.509 -12.060 305 2HG GLU 37 1HG GLU 37 -22.923 -11.094 -11.329 306 H LYS 38 H LYS 38 -24.335 -9.026 -10.619 307 HA LYS 38 HA LYS 38 -21.682 -8.201 -9.513 308 1HB LYS 38 2HB LYS 38 -23.120 -7.983 -12.039 309 2HB LYS 38 1HB LYS 38 -22.584 -6.397 -11.482 310 1HG LYS 38 2HG LYS 38 -20.358 -7.870 -10.965 311 2HG LYS 38 1HG LYS 38 -20.982 -8.724 -12.377 312 1HD LYS 38 2HD LYS 38 -21.292 -6.087 -13.111 313 2HD LYS 38 1HD LYS 38 -19.789 -6.044 -12.188 314 1HE LYS 38 2HE LYS 38 -18.652 -7.318 -13.731 315 2HE LYS 38 1HE LYS 38 -20.083 -8.288 -14.133 316 1HZ LYS 38 1HZ LYS 38 -20.153 -5.426 -14.735 317 2HZ LYS 38 2HZ LYS 38 -20.874 -6.723 -15.561 318 3HZ LYS 38 3HZ LYS 38 -19.215 -6.411 -15.748 319 H CYS 39 H CYS 39 -25.041 -7.647 -9.312 320 HA CYS 39 HA CYS 39 -24.826 -4.904 -8.235 321 1HB CYS 39 2HB CYS 39 -26.871 -6.815 -9.209 322 2HB CYS 39 1HB CYS 39 -27.390 -5.826 -7.861 323 H ARG 40 H ARG 40 -25.507 -8.253 -7.260 324 HA ARG 40 HA ARG 40 -25.921 -7.623 -4.441 325 1HB ARG 40 2HB ARG 40 -25.707 -10.005 -6.230 326 2HB ARG 40 1HB ARG 40 -25.381 -10.271 -4.516 327 1HG ARG 40 2HG ARG 40 -27.557 -9.974 -3.934 328 2HG ARG 40 1HG ARG 40 -27.763 -8.619 -5.044 329 1HD ARG 40 2HD ARG 40 -29.099 -10.180 -6.123 330 2HD ARG 40 1HD ARG 40 -27.541 -10.612 -6.853 331 HE ARG 40 HE ARG 40 -27.330 -12.410 -5.183 332 1HH1 ARG 40 1HH2 ARG 40 -30.070 -10.503 -4.533 333 2HH1 ARG 40 2HH2 ARG 40 -31.078 -11.831 -4.066 334 1HH2 ARG 40 1HH1 ARG 40 -28.742 -14.247 -4.919 335 2HH2 ARG 40 2HH1 ARG 40 -30.326 -13.950 -4.283 336 H LEU 41 H LEU 41 -23.287 -8.587 -6.541 337 HA LEU 41 HA LEU 41 -21.317 -9.142 -4.513 338 1HB LEU 41 2HB LEU 41 -20.717 -9.953 -6.600 339 2HB LEU 41 1HB LEU 41 -21.475 -8.606 -7.443 340 HG LEU 41 HG LEU 41 -19.628 -7.153 -6.956 341 1HD1 LEU 41 1HD1 LEU 41 -19.251 -8.955 -4.760 342 2HD1 LEU 41 2HD1 LEU 41 -18.460 -7.405 -5.047 343 3HD1 LEU 41 3HD1 LEU 41 -17.754 -8.889 -5.687 344 1HD2 LEU 41 1HD2 LEU 41 -18.879 -9.911 -7.912 345 2HD2 LEU 41 2HD2 LEU 41 -17.668 -8.631 -7.821 346 3HD2 LEU 41 3HD2 LEU 41 -19.083 -8.433 -8.855 347 H THR 42 H THR 42 -22.520 -6.254 -6.071 348 HA THR 42 HA THR 42 -20.433 -4.453 -5.167 349 HB THR 42 HB THR 42 -23.259 -4.175 -6.185 350 HG1 THR 42 HG1 THR 42 -20.688 -4.137 -7.230 351 1HG2 THR 42 1HG2 THR 42 -21.273 -1.938 -5.714 352 2HG2 THR 42 2HG2 THR 42 -22.633 -2.288 -4.647 353 3HG2 THR 42 3HG2 THR 42 -22.925 -1.781 -6.309 354 H ALA 43 H ALA 43 -23.865 -4.463 -4.271 355 HA ALA 43 HA ALA 43 -23.793 -2.990 -1.921 356 1HB ALA 43 1HB ALA 43 -25.844 -4.113 -1.397 357 2HB ALA 43 2HB ALA 43 -25.320 -5.593 -2.200 358 3HB ALA 43 3HB ALA 43 -25.733 -4.169 -3.156 359 H ASP 44 H ASP 44 -22.832 -6.341 -2.437 360 HA ASP 44 HA ASP 44 -22.381 -7.063 0.314 361 1HB ASP 44 2HB ASP 44 -22.645 -8.582 -1.667 362 2HB ASP 44 1HB ASP 44 -21.071 -8.037 -2.250 363 H ARG 45 H ARG 45 -20.339 -5.668 -2.242 364 HA ARG 45 HA ARG 45 -17.823 -5.711 -0.938 365 1HB ARG 45 2HB ARG 45 -18.256 -5.120 -3.302 366 2HB ARG 45 1HB ARG 45 -19.068 -3.642 -2.783 367 1HG ARG 45 2HG ARG 45 -16.458 -3.852 -1.542 368 2HG ARG 45 1HG ARG 45 -16.320 -3.964 -3.298 369 1HD ARG 45 2HD ARG 45 -17.311 -1.843 -3.633 370 2HD ARG 45 1HD ARG 45 -18.021 -1.822 -2.007 371 HE ARG 45 HE ARG 45 -15.332 -2.029 -1.481 372 1HH1 ARG 45 1HH2 ARG 45 -17.463 0.428 -1.902 373 2HH1 ARG 45 2HH2 ARG 45 -16.321 1.613 -2.443 374 1HH2 ARG 45 1HH1 ARG 45 -13.744 -0.672 -2.856 375 2HH2 ARG 45 2HH1 ARG 45 -14.215 0.991 -2.983 376 H GLN 46 H GLN 46 -20.517 -3.405 -0.681 377 HA GLN 46 HA GLN 46 -19.069 -1.544 1.032 378 1HB GLN 46 2HB GLN 46 -21.100 -1.220 -0.574 379 2HB GLN 46 1HB GLN 46 -22.063 -1.804 0.783 380 1HG GLN 46 2HG GLN 46 -21.528 0.028 2.128 381 2HG GLN 46 1HG GLN 46 -20.051 0.380 1.231 382 1HE2 GLN 46 1HE2 GLN 46 -21.890 2.466 1.686 383 2HE2 GLN 46 2HE2 GLN 46 -22.637 2.888 0.222 384 H ARG 47 H ARG 47 -20.159 -4.622 1.625 385 HA ARG 47 HA ARG 47 -21.400 -4.228 4.241 386 1HB ARG 47 2HB ARG 47 -21.485 -6.164 2.402 387 2HB ARG 47 1HB ARG 47 -20.152 -6.803 3.364 388 1HG ARG 47 2HG ARG 47 -21.741 -7.674 4.719 389 2HG ARG 47 1HG ARG 47 -21.998 -6.021 5.283 390 1HD ARG 47 2HD ARG 47 -23.907 -5.731 3.987 391 2HD ARG 47 1HD ARG 47 -23.381 -6.909 2.768 392 HE ARG 47 HE ARG 47 -23.850 -8.698 4.451 393 1HH1 ARG 47 1HH2 ARG 47 -24.054 -6.485 6.659 394 2HH1 ARG 47 2HH2 ARG 47 -25.751 -6.569 6.996 395 1HH2 ARG 47 1HH1 ARG 47 -26.496 -8.405 4.150 396 2HH2 ARG 47 2HH1 ARG 47 -27.134 -7.653 5.573 397 H VAL 48 H VAL 48 -20.320 -5.541 6.138 398 HA VAL 48 HA VAL 48 -17.469 -4.648 6.321 399 HB VAL 48 HB VAL 48 -19.578 -5.282 8.413 400 1HG1 VAL 48 1HG1 VAL 48 -16.682 -4.515 8.558 401 2HG1 VAL 48 2HG1 VAL 48 -17.587 -5.652 9.557 402 3HG1 VAL 48 3HG1 VAL 48 -17.786 -3.917 9.796 403 1HG2 VAL 48 1HG2 VAL 48 -18.418 -2.652 7.437 404 2HG2 VAL 48 2HG2 VAL 48 -19.566 -2.829 8.763 405 3HG2 VAL 48 3HG2 VAL 48 -20.049 -3.239 7.117 406 H MET 49 H MET 49 -17.359 -6.887 4.970 407 HA MET 49 HA MET 49 -16.717 -9.003 6.988 408 1HB MET 49 2HB MET 49 -18.604 -9.008 4.686 409 2HB MET 49 1HB MET 49 -17.634 -10.465 4.904 410 1HG MET 49 2HG MET 49 -18.357 -10.245 7.417 411 2HG MET 49 1HG MET 49 -19.657 -9.248 6.764 412 1HE MET 49 1HE MET 49 -17.655 -12.245 6.688 413 2HE MET 49 2HE MET 49 -18.550 -13.535 5.889 414 3HE MET 49 3HE MET 49 -18.911 -13.131 7.566 415 H ALA 50 H ALA 50 -14.453 -8.537 6.679 416 HA ALA 50 HA ALA 50 -13.359 -8.803 3.925 417 1HB ALA 50 1HB ALA 50 -12.120 -7.126 4.824 418 2HB ALA 50 2HB ALA 50 -11.289 -8.379 5.747 419 3HB ALA 50 3HB ALA 50 -12.655 -7.519 6.458 420 H LEU 51 H LEU 51 -14.066 -11.207 4.093 421 HA LEU 51 HA LEU 51 -12.465 -12.916 5.868 422 1HB LEU 51 2HB LEU 51 -13.712 -14.699 4.633 423 2HB LEU 51 1HB LEU 51 -14.781 -13.452 5.277 424 HG LEU 51 HG LEU 51 -13.775 -12.815 2.601 425 1HD1 LEU 51 1HD1 LEU 51 -15.280 -15.378 3.110 426 2HD1 LEU 51 2HD1 LEU 51 -13.872 -15.117 2.080 427 3HD1 LEU 51 3HD1 LEU 51 -15.452 -14.508 1.586 428 1HD2 LEU 51 1HD2 LEU 51 -15.608 -11.530 2.966 429 2HD2 LEU 51 2HD2 LEU 51 -16.191 -12.589 4.249 430 3HD2 LEU 51 3HD2 LEU 51 -16.544 -12.968 2.563 431 H GLN 52 H GLN 52 -10.407 -11.855 4.814 432 HA GLN 52 HA GLN 52 -9.357 -13.780 2.848 433 1HB GLN 52 2HB GLN 52 -10.676 -11.781 1.748 434 2HB GLN 52 1HB GLN 52 -9.214 -10.866 2.122 435 1HG GLN 52 2HG GLN 52 -7.900 -12.709 0.963 436 2HG GLN 52 1HG GLN 52 -9.447 -13.343 0.398 437 1HE2 GLN 52 1HE2 GLN 52 -10.766 -10.804 -0.049 438 2HE2 GLN 52 2HE2 GLN 52 -9.996 -10.045 -1.358 Start of MODEL 12 1 1H SER 1 1H SER 1 -16.189 23.459 -24.105 2 2H SER 1 2H SER 1 -15.450 22.244 -23.175 3 3H SER 1 3H SER 1 -15.020 22.448 -24.806 4 HA SER 1 HA SER 1 -13.687 24.237 -24.397 5 1HB SER 1 2HB SER 1 -15.982 25.113 -23.260 6 2HB SER 1 1HB SER 1 -14.992 24.933 -21.813 7 HG SER 1 HG SER 1 -14.898 26.818 -23.737 8 H ILE 2 H ILE 2 -14.770 22.892 -21.249 9 HA ILE 2 HA ILE 2 -12.352 21.362 -20.836 10 HB ILE 2 HB ILE 2 -11.398 23.610 -20.697 11 1HG1 ILE 2 2HG1 ILE 2 -11.751 22.560 -17.877 12 2HG1 ILE 2 1HG1 ILE 2 -10.683 21.804 -19.060 13 1HG2 ILE 2 1HG2 ILE 2 -13.856 24.378 -19.806 14 2HG2 ILE 2 2HG2 ILE 2 -12.403 25.364 -19.636 15 3HG2 ILE 2 3HG2 ILE 2 -12.952 24.361 -18.292 16 1HD1 ILE 2 1HD1 ILE 2 -9.450 23.929 -19.305 17 2HD1 ILE 2 2HD1 ILE 2 -9.429 23.374 -17.630 18 3HD1 ILE 2 3HD1 ILE 2 -10.512 24.680 -18.114 19 H SER 3 H SER 3 -14.217 19.943 -20.252 20 HA SER 3 HA SER 3 -15.402 20.582 -17.575 21 1HB SER 3 2HB SER 3 -17.075 20.312 -19.257 22 2HB SER 3 1HB SER 3 -16.262 18.908 -19.943 23 HG SER 3 HG SER 3 -16.753 17.777 -18.041 24 HA PRO 4 HA PRO 4 -12.831 17.239 -16.151 25 1HB PRO 4 2HB PRO 4 -13.729 17.234 -13.568 26 2HB PRO 4 1HB PRO 4 -12.593 18.447 -14.191 27 1HG PRO 4 2HG PRO 4 -15.514 18.666 -13.700 28 2HG PRO 4 1HG PRO 4 -14.238 19.876 -13.494 29 1HD PRO 4 2HD PRO 4 -15.975 19.795 -15.625 30 2HD PRO 4 1HD PRO 4 -14.377 20.568 -15.660 31 H ARG 5 H ARG 5 -13.326 15.105 -16.518 32 HA ARG 5 HA ARG 5 -16.118 14.181 -15.927 33 1HB ARG 5 2HB ARG 5 -15.184 14.266 -18.310 34 2HB ARG 5 1HB ARG 5 -14.093 12.967 -17.823 35 1HG ARG 5 2HG ARG 5 -15.901 11.771 -18.698 36 2HG ARG 5 1HG ARG 5 -16.286 11.805 -16.976 37 1HD ARG 5 2HD ARG 5 -17.848 13.620 -17.278 38 2HD ARG 5 1HD ARG 5 -17.332 13.853 -18.960 39 HE ARG 5 HE ARG 5 -18.111 11.132 -18.639 40 1HH1 ARG 5 1HH2 ARG 5 -19.143 12.740 -20.872 41 2HH1 ARG 5 2HH2 ARG 5 -20.815 12.948 -20.470 42 1HH2 ARG 5 1HH1 ARG 5 -20.398 12.071 -17.141 43 2HH2 ARG 5 2HH1 ARG 5 -21.525 12.569 -18.358 44 H THR 6 H THR 6 -14.133 14.210 -13.836 45 HA THR 6 HA THR 6 -13.485 11.290 -13.592 46 HB THR 6 HB THR 6 -11.595 11.991 -12.301 47 HG1 THR 6 HG1 THR 6 -13.165 14.230 -11.968 48 1HG2 THR 6 1HG2 THR 6 -10.389 13.060 -13.956 49 2HG2 THR 6 2HG2 THR 6 -11.677 14.219 -14.290 50 3HG2 THR 6 3HG2 THR 6 -11.802 12.565 -14.888 51 HA PRO 7 HA PRO 7 -16.181 12.842 -9.943 52 1HB PRO 7 2HB PRO 7 -18.739 12.434 -10.812 53 2HB PRO 7 1HB PRO 7 -17.900 13.988 -10.996 54 1HG PRO 7 2HG PRO 7 -18.374 11.846 -13.002 55 2HG PRO 7 1HG PRO 7 -18.387 13.604 -13.201 56 1HD PRO 7 2HD PRO 7 -16.295 11.996 -13.945 57 2HD PRO 7 1HD PRO 7 -16.136 13.714 -13.522 58 HA PRO 8 HA PRO 8 -16.931 8.632 -8.835 59 1HB PRO 8 2HB PRO 8 -19.085 8.784 -7.161 60 2HB PRO 8 1HB PRO 8 -17.470 9.357 -6.701 61 1HG PRO 8 2HG PRO 8 -19.839 10.906 -7.609 62 2HG PRO 8 1HG PRO 8 -18.629 11.309 -6.382 63 1HD PRO 8 2HD PRO 8 -18.640 12.355 -8.909 64 2HD PRO 8 1HD PRO 8 -17.176 12.181 -7.914 65 H ASN 9 H ASN 9 -19.362 7.330 -8.294 66 HA ASN 9 HA ASN 9 -21.414 7.757 -10.270 67 1HB ASN 9 2HB ASN 9 -20.774 6.192 -11.944 68 2HB ASN 9 1HB ASN 9 -19.330 7.158 -11.635 69 1HD2 ASN 9 1HD2 ASN 9 -20.883 4.086 -10.548 70 2HD2 ASN 9 2HD2 ASN 9 -19.419 3.267 -10.288 71 H CYS 10 H CYS 10 -22.974 6.004 -10.285 72 HA CYS 10 HA CYS 10 -23.175 4.650 -7.704 73 1HB CYS 10 2HB CYS 10 -25.130 5.587 -8.857 74 2HB CYS 10 1HB CYS 10 -24.796 4.622 -10.259 75 H ALA 11 H ALA 11 -22.709 2.463 -7.305 76 HA ALA 11 HA ALA 11 -21.340 1.024 -9.448 77 1HB ALA 11 1HB ALA 11 -21.964 0.078 -6.652 78 2HB ALA 11 2HB ALA 11 -20.623 1.164 -7.016 79 3HB ALA 11 3HB ALA 11 -20.650 -0.462 -7.698 80 H ARG 12 H ARG 12 -24.456 0.948 -7.923 81 HA ARG 12 HA ARG 12 -25.284 -1.713 -8.537 82 1HB ARG 12 2HB ARG 12 -26.413 0.020 -7.128 83 2HB ARG 12 1HB ARG 12 -26.811 0.904 -8.588 84 1HG ARG 12 2HG ARG 12 -28.664 -0.333 -8.768 85 2HG ARG 12 1HG ARG 12 -27.639 -1.736 -9.066 86 1HD ARG 12 2HD ARG 12 -29.136 -2.205 -7.169 87 2HD ARG 12 1HD ARG 12 -27.470 -2.065 -6.572 88 HE ARG 12 HE ARG 12 -28.371 0.528 -6.435 89 1HH1 ARG 12 1HH2 ARG 12 -28.658 -2.326 -4.685 90 2HH1 ARG 12 2HH2 ARG 12 -29.906 -1.759 -3.627 91 1HH2 ARG 12 1HH1 ARG 12 -30.394 1.205 -5.363 92 2HH2 ARG 12 2HH1 ARG 12 -30.886 0.246 -4.007 93 H CYS 13 H CYS 13 -25.576 1.281 -10.400 94 HA CYS 13 HA CYS 13 -26.632 -0.182 -12.703 95 1HB CYS 13 2HB CYS 13 -26.704 2.131 -13.665 96 2HB CYS 13 1HB CYS 13 -27.434 2.038 -12.082 97 H ARG 14 H ARG 14 -23.332 0.802 -11.727 98 HA ARG 14 HA ARG 14 -22.294 0.829 -14.455 99 1HB ARG 14 2HB ARG 14 -20.093 0.404 -13.286 100 2HB ARG 14 1HB ARG 14 -20.985 1.788 -12.660 101 1HG ARG 14 2HG ARG 14 -20.200 0.535 -10.769 102 2HG ARG 14 1HG ARG 14 -21.924 0.276 -10.901 103 1HD ARG 14 2HD ARG 14 -21.636 -1.949 -11.063 104 2HD ARG 14 1HD ARG 14 -20.489 -1.743 -12.401 105 HE ARG 14 HE ARG 14 -19.774 -2.006 -9.576 106 1HH1 ARG 14 1HH2 ARG 14 -18.662 -2.189 -12.706 107 2HH1 ARG 14 2HH2 ARG 14 -17.074 -1.580 -12.379 108 1HH2 ARG 14 1HH1 ARG 14 -17.822 -0.619 -9.133 109 2HH2 ARG 14 2HH1 ARG 14 -16.599 -0.688 -10.357 110 H ASN 15 H ASN 15 -23.107 -1.663 -12.199 111 HA ASN 15 HA ASN 15 -21.607 -3.864 -12.890 112 1HB ASN 15 2HB ASN 15 -24.539 -3.442 -12.337 113 2HB ASN 15 1HB ASN 15 -23.860 -5.058 -12.465 114 1HD2 ASN 15 1HD2 ASN 15 -24.668 -2.791 -10.257 115 2HD2 ASN 15 2HD2 ASN 15 -23.491 -3.048 -9.069 116 H HIS 16 H HIS 16 -24.198 -2.363 -14.649 117 HA HIS 16 HA HIS 16 -24.031 -4.359 -16.841 118 1HB HIS 16 2HB HIS 16 -25.933 -2.108 -16.136 119 2HB HIS 16 1HB HIS 16 -26.180 -3.274 -17.418 120 HD1 HIS 16 HD1 HIS 16 -27.028 -5.579 -16.813 121 HD2 HIS 16 HD2 HIS 16 -25.863 -3.320 -13.513 122 HE1 HIS 16 HE1 HIS 16 -27.696 -6.917 -14.754 123 H GLY 17 H GLY 17 -22.953 -1.182 -16.040 124 1HA GLY 17 2HA GLY 17 -21.216 -0.296 -17.634 125 2HA GLY 17 1HA GLY 17 -22.337 -0.704 -18.934 126 H LEU 18 H LEU 18 -23.492 0.630 -15.935 127 HA LEU 18 HA LEU 18 -24.427 3.034 -17.419 128 1HB LEU 18 2HB LEU 18 -25.617 1.237 -15.723 129 2HB LEU 18 1HB LEU 18 -25.212 2.549 -14.615 130 HG LEU 18 HG LEU 18 -27.455 2.874 -15.578 131 1HD1 LEU 18 1HD1 LEU 18 -27.137 5.116 -15.732 132 2HD1 LEU 18 2HD1 LEU 18 -25.957 4.954 -17.033 133 3HD1 LEU 18 3HD1 LEU 18 -25.460 4.727 -15.357 134 1HD2 LEU 18 1HD2 LEU 18 -26.737 3.610 -18.248 135 2HD2 LEU 18 2HD2 LEU 18 -27.836 2.331 -17.732 136 3HD2 LEU 18 3HD2 LEU 18 -26.120 1.986 -17.949 137 H LYS 19 H LYS 19 -24.038 5.151 -16.519 138 HA LYS 19 HA LYS 19 -22.139 5.395 -14.259 139 1HB LYS 19 2HB LYS 19 -21.230 5.269 -16.849 140 2HB LYS 19 1HB LYS 19 -21.456 7.006 -16.646 141 1HG LYS 19 2HG LYS 19 -19.187 6.398 -15.967 142 2HG LYS 19 1HG LYS 19 -20.108 6.910 -14.554 143 1HD LYS 19 2HD LYS 19 -19.639 4.940 -13.575 144 2HD LYS 19 1HD LYS 19 -20.560 4.126 -14.840 145 1HE LYS 19 2HE LYS 19 -18.247 4.592 -16.189 146 2HE LYS 19 1HE LYS 19 -17.620 4.400 -14.540 147 1HZ LYS 19 1HZ LYS 19 -19.445 2.476 -14.589 148 2HZ LYS 19 2HZ LYS 19 -17.826 2.218 -15.034 149 3HZ LYS 19 3HZ LYS 19 -19.008 2.475 -16.227 150 H ILE 20 H ILE 20 -23.936 6.383 -13.226 151 HA ILE 20 HA ILE 20 -25.054 8.849 -14.448 152 HB ILE 20 HB ILE 20 -26.957 8.233 -13.364 153 1HG1 ILE 20 2HG1 ILE 20 -25.690 8.847 -11.150 154 2HG1 ILE 20 1HG1 ILE 20 -27.222 8.021 -11.142 155 1HG2 ILE 20 1HG2 ILE 20 -25.532 5.673 -12.750 156 2HG2 ILE 20 2HG2 ILE 20 -26.131 6.115 -14.342 157 3HG2 ILE 20 3HG2 ILE 20 -27.259 5.907 -13.008 158 1HD1 ILE 20 1HD1 ILE 20 -24.548 6.658 -11.058 159 2HD1 ILE 20 2HD1 ILE 20 -26.123 5.869 -10.979 160 3HD1 ILE 20 3HD1 ILE 20 -25.603 6.935 -9.684 161 H THR 21 H THR 21 -22.563 8.043 -12.362 162 HA THR 21 HA THR 21 -21.141 9.512 -11.129 163 HB THR 21 HB THR 21 -23.316 11.587 -11.181 164 HG1 THR 21 HG1 THR 21 -23.284 11.509 -13.262 165 1HG2 THR 21 1HG2 THR 21 -20.983 12.825 -11.782 166 2HG2 THR 21 2HG2 THR 21 -20.372 11.457 -10.852 167 3HG2 THR 21 3HG2 THR 21 -21.538 12.564 -10.129 168 H LEU 22 H LEU 22 -24.113 8.342 -10.336 169 HA LEU 22 HA LEU 22 -25.254 7.881 -8.314 170 1HB LEU 22 2HB LEU 22 -23.347 6.661 -7.763 171 2HB LEU 22 1HB LEU 22 -22.326 8.093 -7.684 172 HG LEU 22 HG LEU 22 -23.369 8.783 -5.597 173 1HD1 LEU 22 1HD1 LEU 22 -25.583 7.464 -6.486 174 2HD1 LEU 22 2HD1 LEU 22 -25.346 7.950 -4.807 175 3HD1 LEU 22 3HD1 LEU 22 -24.966 6.303 -5.310 176 1HD2 LEU 22 1HD2 LEU 22 -21.854 7.416 -4.642 177 2HD2 LEU 22 2HD2 LEU 22 -22.004 6.259 -5.964 178 3HD2 LEU 22 3HD2 LEU 22 -23.094 6.163 -4.581 179 H LYS 23 H LYS 23 -24.564 10.887 -9.131 180 HA LYS 23 HA LYS 23 -24.719 12.233 -6.524 181 1HB LYS 23 2HB LYS 23 -24.563 12.933 -9.425 182 2HB LYS 23 1HB LYS 23 -25.258 14.146 -8.349 183 1HG LYS 23 2HG LYS 23 -22.990 13.187 -6.996 184 2HG LYS 23 1HG LYS 23 -22.480 13.371 -8.675 185 1HD LYS 23 2HD LYS 23 -24.040 15.543 -7.280 186 2HD LYS 23 1HD LYS 23 -22.285 15.440 -7.128 187 1HE LYS 23 2HE LYS 23 -22.571 15.167 -9.835 188 2HE LYS 23 1HE LYS 23 -23.917 16.260 -9.456 189 1HZ LYS 23 1HZ LYS 23 -21.048 16.664 -9.108 190 2HZ LYS 23 2HZ LYS 23 -22.056 17.274 -7.885 191 3HZ LYS 23 3HZ LYS 23 -22.261 17.787 -9.490 192 H GLY 24 H GLY 24 -26.685 12.219 -5.431 193 1HA GLY 24 2HA GLY 24 -29.026 12.060 -5.113 194 2HA GLY 24 1HA GLY 24 -29.107 13.233 -6.437 195 H HIS 25 H HIS 25 -28.276 9.782 -6.078 196 HA HIS 25 HA HIS 25 -29.934 9.220 -8.516 197 1HB HIS 25 2HB HIS 25 -27.540 9.183 -8.903 198 2HB HIS 25 1HB HIS 25 -27.293 8.141 -7.507 199 HD1 HIS 25 HD1 HIS 25 -29.409 7.976 -10.693 200 HD2 HIS 25 HD2 HIS 25 -26.924 5.563 -8.383 201 HE1 HIS 25 HE1 HIS 25 -29.055 5.822 -11.967 202 H LYS 26 H LYS 26 -28.339 6.606 -6.946 203 HA LYS 26 HA LYS 26 -29.248 4.671 -5.971 204 1HB LYS 26 2HB LYS 26 -30.097 7.102 -4.482 205 2HB LYS 26 1HB LYS 26 -30.961 5.620 -4.072 206 1HG LYS 26 2HG LYS 26 -28.747 4.486 -3.750 207 2HG LYS 26 1HG LYS 26 -27.961 6.046 -4.000 208 1HD LYS 26 2HD LYS 26 -29.620 6.861 -2.128 209 2HD LYS 26 1HD LYS 26 -29.695 5.147 -1.719 210 1HE LYS 26 2HE LYS 26 -27.361 5.042 -1.251 211 2HE LYS 26 1HE LYS 26 -27.055 6.598 -2.050 212 1HZ LYS 26 1HZ LYS 26 -27.259 6.658 0.460 213 2HZ LYS 26 2HZ LYS 26 -28.912 6.334 0.243 214 3HZ LYS 26 3HZ LYS 26 -28.231 7.752 -0.397 215 H ARG 27 H ARG 27 -32.218 6.387 -5.267 216 HA ARG 27 HA ARG 27 -33.974 4.483 -6.342 217 1HB ARG 27 2HB ARG 27 -34.515 6.409 -4.845 218 2HB ARG 27 1HB ARG 27 -34.312 7.498 -6.218 219 1HG ARG 27 2HG ARG 27 -36.341 6.973 -7.074 220 2HG ARG 27 1HG ARG 27 -36.100 5.248 -6.796 221 1HD ARG 27 2HD ARG 27 -36.645 7.090 -4.469 222 2HD ARG 27 1HD ARG 27 -37.981 6.437 -5.440 223 HE ARG 27 HE ARG 27 -36.351 4.237 -4.932 224 1HH1 ARG 27 1HH2 ARG 27 -38.759 6.116 -3.483 225 2HH1 ARG 27 2HH2 ARG 27 -38.686 5.320 -1.947 226 1HH2 ARG 27 1HH1 ARG 27 -35.905 3.417 -2.768 227 2HH2 ARG 27 2HH1 ARG 27 -37.069 3.791 -1.541 228 H TYR 28 H TYR 28 -32.141 6.979 -7.978 229 HA TYR 28 HA TYR 28 -33.665 6.790 -10.489 230 1HB TYR 28 2HB TYR 28 -31.118 8.153 -9.568 231 2HB TYR 28 1HB TYR 28 -31.722 8.284 -11.222 232 HD1 TYR 28 HD1 TYR 28 -32.578 8.939 -7.660 233 HD2 TYR 28 HD2 TYR 28 -33.550 9.710 -11.771 234 HE1 TYR 28 HE1 TYR 28 -34.153 10.718 -6.952 235 HE2 TYR 28 HE2 TYR 28 -35.127 11.490 -11.064 236 HH TYR 28 HH TYR 28 -35.254 13.053 -8.842 237 H CYS 29 H CYS 29 -31.791 4.585 -9.064 238 HA CYS 29 HA CYS 29 -29.894 3.999 -11.231 239 1HB CYS 29 2HB CYS 29 -29.604 3.628 -8.705 240 2HB CYS 29 1HB CYS 29 -30.692 2.260 -8.891 241 H LYS 30 H LYS 30 -30.747 3.081 -13.112 242 HA LYS 30 HA LYS 30 -33.198 1.672 -13.344 243 1HB LYS 30 2HB LYS 30 -31.226 2.487 -15.015 244 2HB LYS 30 1HB LYS 30 -30.836 0.769 -14.931 245 1HG LYS 30 2HG LYS 30 -33.460 0.519 -15.310 246 2HG LYS 30 1HG LYS 30 -33.263 2.108 -16.050 247 1HD LYS 30 2HD LYS 30 -31.613 -0.334 -16.766 248 2HD LYS 30 1HD LYS 30 -33.000 0.244 -17.691 249 1HE LYS 30 2HE LYS 30 -30.846 2.226 -17.067 250 2HE LYS 30 1HE LYS 30 -30.523 1.016 -18.326 251 1HZ LYS 30 1HZ LYS 30 -33.105 2.441 -18.239 252 2HZ LYS 30 2HZ LYS 30 -32.355 1.671 -19.555 253 3HZ LYS 30 3HZ LYS 30 -31.762 3.159 -18.987 254 H PHE 31 H PHE 31 -30.150 0.809 -11.995 255 HA PHE 31 HA PHE 31 -30.831 -2.084 -11.756 256 1HB PHE 31 2HB PHE 31 -28.306 -0.461 -11.226 257 2HB PHE 31 1HB PHE 31 -28.372 -2.226 -11.299 258 HD1 PHE 31 HD1 PHE 31 -28.706 0.906 -13.238 259 HD2 PHE 31 HD2 PHE 31 -28.603 -3.382 -13.412 260 HE1 PHE 31 HE1 PHE 31 -28.509 1.015 -15.700 261 HE2 PHE 31 HE2 PHE 31 -28.417 -3.277 -15.878 262 HZ PHE 31 HZ PHE 31 -28.364 -1.078 -17.029 263 H ARG 32 H ARG 32 -31.659 0.562 -10.142 264 HA ARG 32 HA ARG 32 -30.728 0.541 -7.525 265 1HB ARG 32 2HB ARG 32 -32.735 1.703 -7.013 266 2HB ARG 32 1HB ARG 32 -32.466 2.032 -8.718 267 1HG ARG 32 2HG ARG 32 -34.192 -0.271 -7.814 268 2HG ARG 32 1HG ARG 32 -34.844 1.347 -8.016 269 1HD ARG 32 2HD ARG 32 -34.228 1.378 -10.362 270 2HD ARG 32 1HD ARG 32 -33.367 -0.164 -10.197 271 HE ARG 32 HE ARG 32 -36.192 -0.200 -9.367 272 1HH1 ARG 32 1HH2 ARG 32 -34.126 -2.326 -10.507 273 2HH1 ARG 32 2HH2 ARG 32 -34.959 -2.753 -11.964 274 1HH2 ARG 32 1HH1 ARG 32 -37.149 -0.069 -11.812 275 2HH2 ARG 32 2HH1 ARG 32 -36.671 -1.477 -12.702 276 H TYR 33 H TYR 33 -32.932 -1.703 -9.062 277 HA TYR 33 HA TYR 33 -33.031 -3.271 -6.499 278 1HB TYR 33 2HB TYR 33 -35.085 -2.914 -8.701 279 2HB TYR 33 1HB TYR 33 -35.268 -4.040 -7.357 280 HD1 TYR 33 HD1 TYR 33 -36.927 -1.465 -8.180 281 HD2 TYR 33 HD2 TYR 33 -33.900 -2.267 -5.238 282 HE1 TYR 33 HE1 TYR 33 -37.801 0.380 -6.775 283 HE2 TYR 33 HE2 TYR 33 -34.775 -0.424 -3.835 284 HH TYR 33 HH TYR 33 -36.908 0.804 -3.533 285 H CYS 34 H CYS 34 -31.678 -3.272 -9.524 286 HA CYS 34 HA CYS 34 -32.145 -5.725 -10.746 287 1HB CYS 34 2HB CYS 34 -30.489 -3.964 -11.445 288 2HB CYS 34 1HB CYS 34 -29.448 -4.493 -10.119 289 H THR 35 H THR 35 -30.737 -7.768 -10.522 290 HA THR 35 HA THR 35 -29.968 -8.291 -7.680 291 HB THR 35 HB THR 35 -31.177 -10.535 -8.050 292 HG1 THR 35 HG1 THR 35 -32.974 -9.994 -9.662 293 1HG2 THR 35 1HG2 THR 35 -33.189 -8.347 -8.207 294 2HG2 THR 35 2HG2 THR 35 -31.996 -8.246 -6.913 295 3HG2 THR 35 3HG2 THR 35 -33.043 -9.660 -7.039 296 H CYS 36 H CYS 36 -29.001 -8.370 -10.886 297 HA CYS 36 HA CYS 36 -27.794 -10.826 -11.378 298 1HB CYS 36 2HB CYS 36 -26.287 -9.597 -12.770 299 2HB CYS 36 1HB CYS 36 -27.784 -8.667 -12.737 300 H GLU 37 H GLU 37 -25.366 -11.387 -11.015 301 HA GLU 37 HA GLU 37 -24.819 -11.284 -8.152 302 1HB GLU 37 2HB GLU 37 -24.279 -12.953 -10.281 303 2HB GLU 37 1HB GLU 37 -22.703 -12.229 -9.960 304 1HG GLU 37 2HG GLU 37 -22.495 -13.259 -7.937 305 2HG GLU 37 1HG GLU 37 -24.208 -13.074 -7.557 306 H LYS 38 H LYS 38 -24.290 -8.970 -10.451 307 HA LYS 38 HA LYS 38 -21.640 -8.123 -9.349 308 1HB LYS 38 2HB LYS 38 -23.273 -7.551 -11.821 309 2HB LYS 38 1HB LYS 38 -21.996 -6.437 -11.333 310 1HG LYS 38 2HG LYS 38 -21.192 -9.267 -11.273 311 2HG LYS 38 1HG LYS 38 -21.607 -8.676 -12.883 312 1HD LYS 38 2HD LYS 38 -19.987 -6.772 -11.352 313 2HD LYS 38 1HD LYS 38 -19.167 -8.309 -11.626 314 1HE LYS 38 2HE LYS 38 -20.398 -7.716 -14.083 315 2HE LYS 38 1HE LYS 38 -19.705 -6.179 -13.527 316 1HZ LYS 38 1HZ LYS 38 -18.171 -7.834 -14.736 317 2HZ LYS 38 2HZ LYS 38 -18.185 -8.696 -13.272 318 3HZ LYS 38 3HZ LYS 38 -17.604 -7.100 -13.316 319 H CYS 39 H CYS 39 -25.005 -7.517 -9.294 320 HA CYS 39 HA CYS 39 -24.784 -4.756 -8.271 321 1HB CYS 39 2HB CYS 39 -26.828 -6.665 -9.268 322 2HB CYS 39 1HB CYS 39 -27.378 -5.585 -8.000 323 H ARG 40 H ARG 40 -25.672 -8.051 -7.259 324 HA ARG 40 HA ARG 40 -26.177 -7.376 -4.481 325 1HB ARG 40 2HB ARG 40 -25.653 -9.888 -6.084 326 2HB ARG 40 1HB ARG 40 -25.848 -9.953 -4.333 327 1HG ARG 40 2HG ARG 40 -28.060 -8.873 -4.538 328 2HG ARG 40 1HG ARG 40 -27.868 -8.820 -6.291 329 1HD ARG 40 2HD ARG 40 -28.126 -11.128 -6.526 330 2HD ARG 40 1HD ARG 40 -27.576 -11.457 -4.871 331 HE ARG 40 HE ARG 40 -29.914 -9.870 -4.675 332 1HH1 ARG 40 1HH2 ARG 40 -29.167 -12.761 -6.347 333 2HH1 ARG 40 2HH2 ARG 40 -30.566 -13.617 -5.790 334 1HH2 ARG 40 1HH1 ARG 40 -31.627 -11.058 -3.703 335 2HH2 ARG 40 2HH1 ARG 40 -31.960 -12.652 -4.294 336 H LEU 41 H LEU 41 -23.477 -8.556 -6.398 337 HA LEU 41 HA LEU 41 -21.584 -9.049 -4.330 338 1HB LEU 41 2HB LEU 41 -20.940 -9.817 -6.430 339 2HB LEU 41 1HB LEU 41 -21.609 -8.409 -7.251 340 HG LEU 41 HG LEU 41 -19.740 -7.056 -6.688 341 1HD1 LEU 41 1HD1 LEU 41 -17.988 -8.740 -5.241 342 2HD1 LEU 41 2HD1 LEU 41 -19.560 -8.877 -4.450 343 3HD1 LEU 41 3HD1 LEU 41 -18.808 -7.294 -4.651 344 1HD2 LEU 41 1HD2 LEU 41 -19.109 -8.430 -8.507 345 2HD2 LEU 41 2HD2 LEU 41 -18.974 -9.863 -7.489 346 3HD2 LEU 41 3HD2 LEU 41 -17.765 -8.585 -7.375 347 H THR 42 H THR 42 -22.570 -6.122 -6.018 348 HA THR 42 HA THR 42 -20.576 -4.358 -4.902 349 HB THR 42 HB THR 42 -23.314 -4.031 -6.126 350 HG1 THR 42 HG1 THR 42 -20.651 -3.917 -6.961 351 1HG2 THR 42 1HG2 THR 42 -22.829 -1.614 -6.252 352 2HG2 THR 42 2HG2 THR 42 -21.343 -1.868 -5.335 353 3HG2 THR 42 3HG2 THR 42 -22.908 -2.160 -4.577 354 H ALA 43 H ALA 43 -24.055 -4.174 -4.291 355 HA ALA 43 HA ALA 43 -24.077 -2.793 -1.889 356 1HB ALA 43 1HB ALA 43 -26.244 -3.266 -2.380 357 2HB ALA 43 2HB ALA 43 -25.997 -4.831 -1.604 358 3HB ALA 43 3HB ALA 43 -25.772 -4.665 -3.345 359 H ASP 44 H ASP 44 -23.271 -6.171 -2.452 360 HA ASP 44 HA ASP 44 -23.117 -6.930 0.356 361 1HB ASP 44 2HB ASP 44 -23.557 -8.463 -1.560 362 2HB ASP 44 1HB ASP 44 -21.932 -8.140 -2.167 363 H ARG 45 H ARG 45 -20.849 -5.831 -2.141 364 HA ARG 45 HA ARG 45 -18.383 -6.253 -0.817 365 1HB ARG 45 2HB ARG 45 -18.776 -5.514 -3.177 366 2HB ARG 45 1HB ARG 45 -19.262 -3.931 -2.571 367 1HG ARG 45 2HG ARG 45 -17.120 -3.282 -2.291 368 2HG ARG 45 1HG ARG 45 -16.707 -4.777 -1.450 369 1HD ARG 45 2HD ARG 45 -16.055 -5.859 -3.405 370 2HD ARG 45 1HD ARG 45 -17.115 -4.866 -4.427 371 HE ARG 45 HE ARG 45 -14.411 -4.198 -3.753 372 1HH1 ARG 45 1HH2 ARG 45 -17.532 -2.989 -4.496 373 2HH1 ARG 45 2HH2 ARG 45 -17.023 -1.337 -4.605 374 1HH2 ARG 45 1HH1 ARG 45 -13.753 -2.008 -3.665 375 2HH2 ARG 45 2HH1 ARG 45 -14.883 -0.781 -4.133 376 H GLN 46 H GLN 46 -20.963 -4.063 -0.097 377 HA GLN 46 HA GLN 46 -19.212 -2.605 1.859 378 1HB GLN 46 2HB GLN 46 -21.037 -1.769 -0.229 379 2HB GLN 46 1HB GLN 46 -21.577 -1.151 1.332 380 1HG GLN 46 2HG GLN 46 -20.086 0.514 0.648 381 2HG GLN 46 1HG GLN 46 -19.054 -0.509 1.650 382 1HE2 GLN 46 1HE2 GLN 46 -19.876 0.269 -1.733 383 2HE2 GLN 46 2HE2 GLN 46 -18.468 -0.399 -2.402 384 H ARG 47 H ARG 47 -22.655 -3.465 1.295 385 HA ARG 47 HA ARG 47 -23.360 -3.294 4.098 386 1HB ARG 47 2HB ARG 47 -24.681 -4.645 1.720 387 2HB ARG 47 1HB ARG 47 -25.472 -4.301 3.259 388 1HG ARG 47 2HG ARG 47 -24.640 -1.842 2.797 389 2HG ARG 47 1HG ARG 47 -24.578 -2.394 1.123 390 1HD ARG 47 2HD ARG 47 -26.889 -2.736 1.007 391 2HD ARG 47 1HD ARG 47 -27.047 -2.927 2.764 392 HE ARG 47 HE ARG 47 -26.247 -0.404 2.748 393 1HH1 ARG 47 1HH2 ARG 47 -26.871 -0.823 -0.349 394 2HH1 ARG 47 2HH2 ARG 47 -28.343 0.084 -0.445 395 1HH2 ARG 47 1HH1 ARG 47 -28.761 0.268 2.993 396 2HH2 ARG 47 2HH1 ARG 47 -29.414 0.703 1.450 397 H VAL 48 H VAL 48 -23.521 -4.970 5.615 398 HA VAL 48 HA VAL 48 -22.703 -7.712 4.726 399 HB VAL 48 HB VAL 48 -21.762 -6.362 7.265 400 1HG1 VAL 48 1HG1 VAL 48 -21.356 -8.650 7.462 401 2HG1 VAL 48 2HG1 VAL 48 -19.857 -8.098 6.717 402 3HG1 VAL 48 3HG1 VAL 48 -21.105 -8.856 5.729 403 1HG2 VAL 48 1HG2 VAL 48 -19.572 -6.335 5.660 404 2HG2 VAL 48 2HG2 VAL 48 -20.652 -4.952 5.841 405 3HG2 VAL 48 3HG2 VAL 48 -20.834 -6.038 4.463 406 H MET 49 H MET 49 -25.025 -8.210 4.929 407 HA MET 49 HA MET 49 -25.780 -8.824 7.738 408 1HB MET 49 2HB MET 49 -27.037 -6.844 5.887 409 2HB MET 49 1HB MET 49 -28.118 -7.807 6.897 410 1HG MET 49 2HG MET 49 -25.820 -6.798 8.392 411 2HG MET 49 1HG MET 49 -26.780 -5.497 7.684 412 1HE MET 49 1HE MET 49 -26.748 -6.003 11.140 413 2HE MET 49 2HE MET 49 -28.242 -5.085 10.976 414 3HE MET 49 3HE MET 49 -26.892 -4.757 9.893 415 H ALA 50 H ALA 50 -27.338 -10.538 7.857 416 HA ALA 50 HA ALA 50 -28.198 -11.758 5.267 417 1HB ALA 50 1HB ALA 50 -26.166 -12.669 7.122 418 2HB ALA 50 2HB ALA 50 -26.606 -13.336 5.549 419 3HB ALA 50 3HB ALA 50 -27.463 -13.858 6.999 420 H LEU 51 H LEU 51 -29.808 -13.617 5.775 421 HA LEU 51 HA LEU 51 -31.751 -12.618 7.773 422 1HB LEU 51 2HB LEU 51 -32.009 -14.959 5.872 423 2HB LEU 51 1HB LEU 51 -33.298 -13.960 6.543 424 HG LEU 51 HG LEU 51 -31.593 -12.149 5.250 425 1HD1 LEU 51 1HD1 LEU 51 -31.915 -13.380 2.878 426 2HD1 LEU 51 2HD1 LEU 51 -31.675 -14.800 3.896 427 3HD1 LEU 51 3HD1 LEU 51 -30.441 -13.541 3.832 428 1HD2 LEU 51 1HD2 LEU 51 -34.013 -11.954 5.332 429 2HD2 LEU 51 2HD2 LEU 51 -34.204 -13.440 4.400 430 3HD2 LEU 51 3HD2 LEU 51 -33.521 -12.003 3.639 431 H GLN 52 H GLN 52 -32.642 -14.033 9.414 432 HA GLN 52 HA GLN 52 -30.684 -15.937 10.514 433 1HB GLN 52 2HB GLN 52 -32.378 -14.128 11.582 434 2HB GLN 52 1HB GLN 52 -33.404 -15.558 11.672 435 1HG GLN 52 2HG GLN 52 -32.302 -16.032 13.591 436 2HG GLN 52 1HG GLN 52 -30.957 -16.506 12.551 437 1HE2 GLN 52 1HE2 GLN 52 -29.221 -14.906 12.204 438 2HE2 GLN 52 2HE2 GLN 52 -29.023 -13.600 13.268 Start of MODEL 13 1 1H SER 1 1H SER 1 -15.249 -3.452 -14.774 2 2H SER 1 2H SER 1 -13.776 -3.406 -13.926 3 3H SER 1 3H SER 1 -14.542 -1.961 -14.383 4 HA SER 1 HA SER 1 -16.286 -2.261 -12.828 5 1HB SER 1 2HB SER 1 -16.558 -4.414 -11.707 6 2HB SER 1 1HB SER 1 -16.456 -4.687 -13.444 7 HG SER 1 HG SER 1 -15.023 -5.857 -11.695 8 H ILE 2 H ILE 2 -13.518 -1.243 -12.808 9 HA ILE 2 HA ILE 2 -13.026 -1.433 -9.864 10 HB ILE 2 HB ILE 2 -11.556 -2.922 -11.372 11 1HG1 ILE 2 2HG1 ILE 2 -9.460 -2.193 -10.132 12 2HG1 ILE 2 1HG1 ILE 2 -10.394 -0.830 -9.514 13 1HG2 ILE 2 1HG2 ILE 2 -11.341 -0.826 -12.987 14 2HG2 ILE 2 2HG2 ILE 2 -10.003 -1.960 -12.802 15 3HG2 ILE 2 3HG2 ILE 2 -9.989 -0.428 -11.926 16 1HD1 ILE 2 1HD1 ILE 2 -10.251 -3.168 -8.201 17 2HD1 ILE 2 2HD1 ILE 2 -11.617 -3.534 -9.255 18 3HD1 ILE 2 3HD1 ILE 2 -11.695 -2.156 -8.157 19 H SER 3 H SER 3 -13.095 0.625 -9.058 20 HA SER 3 HA SER 3 -12.322 2.882 -10.880 21 1HB SER 3 2HB SER 3 -14.728 2.392 -9.776 22 2HB SER 3 1HB SER 3 -13.997 3.286 -8.445 23 HG SER 3 HG SER 3 -14.265 4.106 -11.152 24 HA PRO 4 HA PRO 4 -9.315 2.843 -7.379 25 1HB PRO 4 2HB PRO 4 -7.090 3.212 -8.927 26 2HB PRO 4 1HB PRO 4 -7.769 1.612 -8.578 27 1HG PRO 4 2HG PRO 4 -7.975 3.254 -11.036 28 2HG PRO 4 1HG PRO 4 -7.887 1.498 -10.852 29 1HD PRO 4 2HD PRO 4 -10.202 2.913 -11.362 30 2HD PRO 4 1HD PRO 4 -10.140 1.285 -10.654 31 H ARG 5 H ARG 5 -8.554 4.831 -10.267 32 HA ARG 5 HA ARG 5 -8.674 7.257 -8.505 33 1HB ARG 5 2HB ARG 5 -6.870 8.124 -9.924 34 2HB ARG 5 1HB ARG 5 -6.414 6.536 -9.306 35 1HG ARG 5 2HG ARG 5 -7.197 5.506 -11.423 36 2HG ARG 5 1HG ARG 5 -7.587 7.111 -12.043 37 1HD ARG 5 2HD ARG 5 -4.808 6.378 -11.074 38 2HD ARG 5 1HD ARG 5 -5.313 6.216 -12.768 39 HE ARG 5 HE ARG 5 -6.061 8.810 -11.809 40 1HH1 ARG 5 1HH2 ARG 5 -4.557 8.068 -14.378 41 2HH1 ARG 5 2HH2 ARG 5 -3.060 8.905 -14.131 42 1HH2 ARG 5 1HH1 ARG 5 -3.597 9.405 -10.741 43 2HH2 ARG 5 2HH1 ARG 5 -2.516 9.664 -12.071 44 H THR 6 H THR 6 -10.929 6.138 -9.974 45 HA THR 6 HA THR 6 -11.258 8.039 -12.258 46 HB THR 6 HB THR 6 -13.429 6.311 -12.173 47 HG1 THR 6 HG1 THR 6 -12.452 5.143 -10.499 48 1HG2 THR 6 1HG2 THR 6 -12.179 5.080 -13.962 49 2HG2 THR 6 2HG2 THR 6 -10.740 6.006 -13.533 50 3HG2 THR 6 3HG2 THR 6 -12.161 6.830 -14.175 51 HA PRO 7 HA PRO 7 -14.368 10.365 -10.211 52 1HB PRO 7 2HB PRO 7 -16.493 10.393 -11.938 53 2HB PRO 7 1HB PRO 7 -14.993 11.295 -12.232 54 1HG PRO 7 2HG PRO 7 -15.892 8.697 -13.372 55 2HG PRO 7 1HG PRO 7 -15.019 10.031 -14.145 56 1HD PRO 7 2HD PRO 7 -13.816 7.735 -13.297 57 2HD PRO 7 1HD PRO 7 -12.980 9.299 -13.404 58 HA PRO 8 HA PRO 8 -17.139 7.742 -8.048 59 1HB PRO 8 2HB PRO 8 -19.103 9.489 -7.292 60 2HB PRO 8 1HB PRO 8 -17.478 9.491 -6.578 61 1HG PRO 8 2HG PRO 8 -18.641 11.286 -8.643 62 2HG PRO 8 1HG PRO 8 -17.519 11.655 -7.324 63 1HD PRO 8 2HD PRO 8 -16.763 11.347 -9.940 64 2HD PRO 8 1HD PRO 8 -15.685 11.082 -8.552 65 H ASN 9 H ASN 9 -19.338 6.800 -8.093 66 HA ASN 9 HA ASN 9 -21.366 7.536 -9.993 67 1HB ASN 9 2HB ASN 9 -20.884 6.002 -11.775 68 2HB ASN 9 1HB ASN 9 -19.388 6.884 -11.465 69 1HD2 ASN 9 1HD2 ASN 9 -17.561 5.606 -11.091 70 2HD2 ASN 9 2HD2 ASN 9 -17.599 3.965 -10.660 71 H CYS 10 H CYS 10 -23.050 5.882 -10.118 72 HA CYS 10 HA CYS 10 -23.380 4.428 -7.626 73 1HB CYS 10 2HB CYS 10 -25.258 5.448 -8.839 74 2HB CYS 10 1HB CYS 10 -24.889 4.510 -10.253 75 H ALA 11 H ALA 11 -22.684 2.314 -7.254 76 HA ALA 11 HA ALA 11 -21.500 0.822 -9.488 77 1HB ALA 11 1HB ALA 11 -20.763 -0.690 -7.757 78 2HB ALA 11 2HB ALA 11 -21.913 -0.003 -6.611 79 3HB ALA 11 3HB ALA 11 -20.545 0.958 -7.171 80 H ARG 12 H ARG 12 -24.650 1.034 -8.193 81 HA ARG 12 HA ARG 12 -25.394 -1.767 -8.559 82 1HB ARG 12 2HB ARG 12 -26.634 -0.016 -7.230 83 2HB ARG 12 1HB ARG 12 -27.021 0.801 -8.736 84 1HG ARG 12 2HG ARG 12 -28.665 -0.648 -9.231 85 2HG ARG 12 1HG ARG 12 -27.668 -2.042 -8.817 86 1HD ARG 12 2HD ARG 12 -29.230 -0.293 -6.882 87 2HD ARG 12 1HD ARG 12 -29.518 -2.006 -7.245 88 HE ARG 12 HE ARG 12 -26.827 -1.836 -6.467 89 1HH1 ARG 12 1HH2 ARG 12 -29.350 -3.186 -5.131 90 2HH1 ARG 12 2HH2 ARG 12 -29.140 -2.616 -3.508 91 1HH2 ARG 12 1HH1 ARG 12 -26.797 -0.209 -4.375 92 2HH2 ARG 12 2HH1 ARG 12 -27.695 -0.928 -3.080 93 H CYS 13 H CYS 13 -25.698 1.168 -10.465 94 HA CYS 13 HA CYS 13 -26.571 -0.327 -12.835 95 1HB CYS 13 2HB CYS 13 -26.773 1.995 -13.720 96 2HB CYS 13 1HB CYS 13 -27.484 1.867 -12.132 97 H ARG 14 H ARG 14 -23.510 0.385 -11.448 98 HA ARG 14 HA ARG 14 -22.033 0.860 -13.929 99 1HB ARG 14 2HB ARG 14 -20.376 1.273 -12.426 100 2HB ARG 14 1HB ARG 14 -21.620 1.085 -11.207 101 1HG ARG 14 2HG ARG 14 -19.625 -1.006 -12.143 102 2HG ARG 14 1HG ARG 14 -19.773 -0.314 -10.534 103 1HD ARG 14 2HD ARG 14 -22.282 -1.422 -11.067 104 2HD ARG 14 1HD ARG 14 -21.120 -2.612 -11.661 105 HE ARG 14 HE ARG 14 -21.499 -1.943 -8.882 106 1HH1 ARG 14 1HH2 ARG 14 -20.232 -4.421 -10.233 107 2HH1 ARG 14 2HH2 ARG 14 -18.627 -4.341 -9.588 108 1HH2 ARG 14 1HH1 ARG 14 -18.948 -1.066 -8.492 109 2HH2 ARG 14 2HH1 ARG 14 -17.900 -2.439 -8.600 110 H ASN 15 H ASN 15 -23.419 -1.862 -12.458 111 HA ASN 15 HA ASN 15 -21.566 -3.909 -13.191 112 1HB ASN 15 2HB ASN 15 -24.477 -3.685 -12.473 113 2HB ASN 15 1HB ASN 15 -23.740 -5.249 -12.772 114 1HD2 ASN 15 1HD2 ASN 15 -24.288 -2.864 -10.466 115 2HD2 ASN 15 2HD2 ASN 15 -23.097 -3.266 -9.336 116 H HIS 16 H HIS 16 -24.299 -2.413 -14.754 117 HA HIS 16 HA HIS 16 -24.179 -4.293 -17.039 118 1HB HIS 16 2HB HIS 16 -26.079 -2.085 -16.205 119 2HB HIS 16 1HB HIS 16 -26.369 -3.260 -17.469 120 HD1 HIS 16 HD1 HIS 16 -27.212 -5.549 -16.810 121 HD2 HIS 16 HD2 HIS 16 -25.791 -3.325 -13.589 122 HE1 HIS 16 HE1 HIS 16 -27.749 -6.893 -14.715 123 H GLY 17 H GLY 17 -23.039 -1.168 -16.167 124 1HA GLY 17 2HA GLY 17 -21.408 -0.220 -17.828 125 2HA GLY 17 1HA GLY 17 -22.606 -0.574 -19.072 126 H LEU 18 H LEU 18 -23.470 0.702 -15.930 127 HA LEU 18 HA LEU 18 -24.468 3.157 -17.302 128 1HB LEU 18 2HB LEU 18 -25.645 1.311 -15.653 129 2HB LEU 18 1HB LEU 18 -25.185 2.565 -14.503 130 HG LEU 18 HG LEU 18 -27.415 3.047 -15.320 131 1HD1 LEU 18 1HD1 LEU 18 -27.036 5.273 -15.690 132 2HD1 LEU 18 2HD1 LEU 18 -25.829 4.968 -16.939 133 3HD1 LEU 18 3HD1 LEU 18 -25.398 4.813 -15.236 134 1HD2 LEU 18 1HD2 LEU 18 -26.693 1.785 -17.596 135 2HD2 LEU 18 2HD2 LEU 18 -26.489 3.456 -18.121 136 3HD2 LEU 18 3HD2 LEU 18 -28.054 2.903 -17.524 137 H LYS 19 H LYS 19 -23.969 5.217 -16.389 138 HA LYS 19 HA LYS 19 -22.040 5.370 -14.144 139 1HB LYS 19 2HB LYS 19 -21.180 5.257 -16.755 140 2HB LYS 19 1HB LYS 19 -21.336 6.998 -16.511 141 1HG LYS 19 2HG LYS 19 -19.072 6.169 -15.900 142 2HG LYS 19 1HG LYS 19 -19.914 6.873 -14.520 143 1HD LYS 19 2HD LYS 19 -19.963 4.901 -13.408 144 2HD LYS 19 1HD LYS 19 -20.460 4.011 -14.849 145 1HE LYS 19 2HE LYS 19 -18.157 3.912 -15.649 146 2HE LYS 19 1HE LYS 19 -17.616 4.940 -14.308 147 1HZ LYS 19 1HZ LYS 19 -19.111 2.424 -13.864 148 2HZ LYS 19 2HZ LYS 19 -18.219 3.327 -12.735 149 3HZ LYS 19 3HZ LYS 19 -17.418 2.453 -13.954 150 H ILE 20 H ILE 20 -23.824 6.395 -13.091 151 HA ILE 20 HA ILE 20 -24.811 8.949 -14.256 152 HB ILE 20 HB ILE 20 -26.779 8.372 -13.258 153 1HG1 ILE 20 2HG1 ILE 20 -25.542 8.816 -10.979 154 2HG1 ILE 20 1HG1 ILE 20 -27.121 8.090 -11.059 155 1HG2 ILE 20 1HG2 ILE 20 -26.036 6.276 -14.318 156 2HG2 ILE 20 2HG2 ILE 20 -27.181 6.041 -13.003 157 3HG2 ILE 20 3HG2 ILE 20 -25.467 5.731 -12.745 158 1HD1 ILE 20 1HD1 ILE 20 -25.636 6.823 -9.613 159 2HD1 ILE 20 2HD1 ILE 20 -24.537 6.568 -10.957 160 3HD1 ILE 20 3HD1 ILE 20 -26.151 5.864 -10.988 161 H THR 21 H THR 21 -22.440 7.929 -12.112 162 HA THR 21 HA THR 21 -21.001 9.266 -10.738 163 HB THR 21 HB THR 21 -23.060 11.457 -10.840 164 HG1 THR 21 HG1 THR 21 -22.390 11.999 -12.857 165 1HG2 THR 21 1HG2 THR 21 -21.144 12.892 -10.691 166 2HG2 THR 21 2HG2 THR 21 -20.044 11.557 -11.037 167 3HG2 THR 21 3HG2 THR 21 -20.912 11.609 -9.502 168 H LEU 22 H LEU 22 -24.036 8.191 -10.152 169 HA LEU 22 HA LEU 22 -25.348 7.758 -8.227 170 1HB LEU 22 2HB LEU 22 -23.459 6.450 -7.660 171 2HB LEU 22 1HB LEU 22 -22.482 7.867 -7.286 172 HG LEU 22 HG LEU 22 -23.736 8.309 -5.290 173 1HD1 LEU 22 1HD1 LEU 22 -25.956 7.708 -6.367 174 2HD1 LEU 22 2HD1 LEU 22 -25.767 7.145 -4.707 175 3HD1 LEU 22 3HD1 LEU 22 -25.570 6.017 -6.050 176 1HD2 LEU 22 1HD2 LEU 22 -22.236 6.682 -4.633 177 2HD2 LEU 22 2HD2 LEU 22 -22.856 5.498 -5.783 178 3HD2 LEU 22 3HD2 LEU 22 -23.738 5.824 -4.291 179 H LYS 23 H LYS 23 -24.509 10.721 -8.930 180 HA LYS 23 HA LYS 23 -24.713 12.034 -6.306 181 1HB LYS 23 2HB LYS 23 -23.390 13.083 -8.026 182 2HB LYS 23 1HB LYS 23 -24.693 12.927 -9.205 183 1HG LYS 23 2HG LYS 23 -26.074 14.399 -7.596 184 2HG LYS 23 1HG LYS 23 -24.531 14.780 -6.830 185 1HD LYS 23 2HD LYS 23 -24.628 14.984 -9.796 186 2HD LYS 23 1HD LYS 23 -25.509 16.215 -8.889 187 1HE LYS 23 2HE LYS 23 -23.568 17.263 -8.383 188 2HE LYS 23 1HE LYS 23 -22.927 15.774 -7.661 189 1HZ LYS 23 1HZ LYS 23 -23.091 16.170 -10.592 190 2HZ LYS 23 2HZ LYS 23 -22.203 14.999 -9.741 191 3HZ LYS 23 3HZ LYS 23 -21.723 16.627 -9.701 192 H GLY 24 H GLY 24 -26.754 11.910 -5.328 193 1HA GLY 24 2HA GLY 24 -29.111 11.893 -5.154 194 2HA GLY 24 1HA GLY 24 -29.066 13.113 -6.436 195 H HIS 25 H HIS 25 -28.556 9.606 -6.045 196 HA HIS 25 HA HIS 25 -30.016 9.182 -8.632 197 1HB HIS 25 2HB HIS 25 -27.605 9.117 -8.911 198 2HB HIS 25 1HB HIS 25 -27.439 8.027 -7.542 199 HD1 HIS 25 HD1 HIS 25 -29.371 8.007 -10.848 200 HD2 HIS 25 HD2 HIS 25 -27.081 5.475 -8.468 201 HE1 HIS 25 HE1 HIS 25 -28.996 5.874 -12.156 202 H LYS 26 H LYS 26 -28.533 6.487 -7.081 203 HA LYS 26 HA LYS 26 -29.527 4.524 -6.248 204 1HB LYS 26 2HB LYS 26 -29.305 5.969 -4.280 205 2HB LYS 26 1HB LYS 26 -30.842 6.750 -4.652 206 1HG LYS 26 2HG LYS 26 -32.095 4.878 -4.047 207 2HG LYS 26 1HG LYS 26 -30.748 3.768 -4.306 208 1HD LYS 26 2HD LYS 26 -30.712 5.867 -2.130 209 2HD LYS 26 1HD LYS 26 -31.355 4.245 -1.866 210 1HE LYS 26 2HE LYS 26 -29.223 3.229 -2.371 211 2HE LYS 26 1HE LYS 26 -28.560 4.779 -2.925 212 1HZ LYS 26 1HZ LYS 26 -28.054 4.136 -0.540 213 2HZ LYS 26 2HZ LYS 26 -29.696 4.426 -0.212 214 3HZ LYS 26 3HZ LYS 26 -28.704 5.684 -0.779 215 H ARG 27 H ARG 27 -32.453 6.289 -5.474 216 HA ARG 27 HA ARG 27 -34.255 4.498 -6.646 217 1HB ARG 27 2HB ARG 27 -34.303 6.958 -5.332 218 2HB ARG 27 1HB ARG 27 -35.067 7.304 -6.884 219 1HG ARG 27 2HG ARG 27 -36.828 6.588 -5.431 220 2HG ARG 27 1HG ARG 27 -36.492 5.224 -6.499 221 1HD ARG 27 2HD ARG 27 -36.137 3.950 -4.659 222 2HD ARG 27 1HD ARG 27 -34.730 4.964 -4.283 223 HE ARG 27 HE ARG 27 -37.345 5.161 -3.015 224 1HH1 ARG 27 1HH2 ARG 27 -34.170 6.183 -2.942 225 2HH1 ARG 27 2HH2 ARG 27 -34.492 7.744 -2.263 226 1HH2 ARG 27 1HH1 ARG 27 -37.933 7.473 -2.596 227 2HH2 ARG 27 2HH1 ARG 27 -36.622 8.471 -2.061 228 H TYR 28 H TYR 28 -32.331 7.006 -8.150 229 HA TYR 28 HA TYR 28 -33.768 6.907 -10.717 230 1HB TYR 28 2HB TYR 28 -31.216 8.202 -9.700 231 2HB TYR 28 1HB TYR 28 -31.843 8.439 -11.335 232 HD1 TYR 28 HD1 TYR 28 -31.623 10.145 -8.447 233 HD2 TYR 28 HD2 TYR 28 -34.692 8.645 -11.051 234 HE1 TYR 28 HE1 TYR 28 -33.183 11.885 -7.613 235 HE2 TYR 28 HE2 TYR 28 -36.251 10.384 -10.219 236 HH TYR 28 HH TYR 28 -35.177 13.014 -8.231 237 H CYS 29 H CYS 29 -31.988 4.650 -9.288 238 HA CYS 29 HA CYS 29 -30.008 4.094 -11.394 239 1HB CYS 29 2HB CYS 29 -29.771 3.698 -8.883 240 2HB CYS 29 1HB CYS 29 -30.913 2.372 -9.077 241 H LYS 30 H LYS 30 -30.716 3.118 -13.287 242 HA LYS 30 HA LYS 30 -33.198 1.810 -13.690 243 1HB LYS 30 2HB LYS 30 -31.216 2.531 -15.285 244 2HB LYS 30 1HB LYS 30 -30.650 0.884 -15.005 245 1HG LYS 30 2HG LYS 30 -33.442 0.736 -15.529 246 2HG LYS 30 1HG LYS 30 -32.730 1.771 -16.767 247 1HD LYS 30 2HD LYS 30 -31.700 -0.978 -16.002 248 2HD LYS 30 1HD LYS 30 -32.680 -0.624 -17.425 249 1HE LYS 30 2HE LYS 30 -30.053 0.794 -16.896 250 2HE LYS 30 1HE LYS 30 -30.154 -0.707 -17.839 251 1HZ LYS 30 1HZ LYS 30 -32.180 0.694 -18.869 252 2HZ LYS 30 2HZ LYS 30 -30.613 0.695 -19.525 253 3HZ LYS 30 3HZ LYS 30 -31.107 1.955 -18.500 254 H PHE 31 H PHE 31 -30.310 0.836 -12.082 255 HA PHE 31 HA PHE 31 -31.203 -2.002 -11.817 256 1HB PHE 31 2HB PHE 31 -28.574 -0.648 -11.109 257 2HB PHE 31 1HB PHE 31 -28.843 -2.383 -11.307 258 HD1 PHE 31 HD1 PHE 31 -28.745 0.877 -13.079 259 HD2 PHE 31 HD2 PHE 31 -28.908 -3.393 -13.481 260 HE1 PHE 31 HE1 PHE 31 -28.310 1.093 -15.503 261 HE2 PHE 31 HE2 PHE 31 -28.472 -3.180 -15.907 262 HZ PHE 31 HZ PHE 31 -28.168 -0.938 -16.926 263 H ARG 32 H ARG 32 -32.093 0.608 -10.373 264 HA ARG 32 HA ARG 32 -31.250 0.783 -7.723 265 1HB ARG 32 2HB ARG 32 -33.401 1.810 -7.343 266 2HB ARG 32 1HB ARG 32 -32.949 2.173 -9.007 267 1HG ARG 32 2HG ARG 32 -34.523 -0.325 -8.563 268 2HG ARG 32 1HG ARG 32 -35.374 1.202 -8.355 269 1HD ARG 32 2HD ARG 32 -34.590 1.916 -10.618 270 2HD ARG 32 1HD ARG 32 -33.851 0.317 -10.830 271 HE ARG 32 HE ARG 32 -36.774 0.634 -10.259 272 1HH1 ARG 32 1HH2 ARG 32 -34.657 -1.804 -10.689 273 2HH1 ARG 32 2HH2 ARG 32 -35.356 -2.458 -12.133 274 1HH2 ARG 32 1HH1 ARG 32 -37.445 0.257 -12.669 275 2HH2 ARG 32 2HH1 ARG 32 -36.932 -1.290 -13.255 276 H TYR 33 H TYR 33 -33.019 -1.761 -9.259 277 HA TYR 33 HA TYR 33 -33.257 -3.159 -6.617 278 1HB TYR 33 2HB TYR 33 -35.237 -3.045 -8.913 279 2HB TYR 33 1HB TYR 33 -35.441 -4.009 -7.450 280 HD1 TYR 33 HD1 TYR 33 -36.938 -1.405 -8.733 281 HD2 TYR 33 HD2 TYR 33 -34.329 -2.160 -5.406 282 HE1 TYR 33 HE1 TYR 33 -37.862 0.575 -7.560 283 HE2 TYR 33 HE2 TYR 33 -35.251 -0.180 -4.232 284 HH TYR 33 HH TYR 33 -37.389 2.070 -5.832 285 H CYS 34 H CYS 34 -31.822 -3.210 -9.612 286 HA CYS 34 HA CYS 34 -32.129 -5.709 -10.770 287 1HB CYS 34 2HB CYS 34 -30.504 -3.887 -11.427 288 2HB CYS 34 1HB CYS 34 -29.490 -4.391 -10.073 289 H THR 35 H THR 35 -30.690 -7.687 -10.448 290 HA THR 35 HA THR 35 -29.905 -8.111 -7.600 291 HB THR 35 HB THR 35 -31.135 -10.415 -8.002 292 HG1 THR 35 HG1 THR 35 -32.585 -8.685 -9.708 293 1HG2 THR 35 1HG2 THR 35 -33.015 -8.106 -7.701 294 2HG2 THR 35 2HG2 THR 35 -31.716 -8.292 -6.522 295 3HG2 THR 35 3HG2 THR 35 -32.895 -9.584 -6.746 296 H CYS 36 H CYS 36 -28.973 -8.263 -10.787 297 HA CYS 36 HA CYS 36 -27.823 -10.755 -11.256 298 1HB CYS 36 2HB CYS 36 -26.313 -9.576 -12.687 299 2HB CYS 36 1HB CYS 36 -27.793 -8.620 -12.655 300 H GLU 37 H GLU 37 -25.402 -11.352 -10.872 301 HA GLU 37 HA GLU 37 -24.863 -11.172 -8.012 302 1HB GLU 37 2HB GLU 37 -23.154 -12.767 -8.528 303 2HB GLU 37 1HB GLU 37 -24.484 -13.114 -9.635 304 1HG GLU 37 2HG GLU 37 -23.204 -11.383 -11.186 305 2HG GLU 37 1HG GLU 37 -21.821 -11.871 -10.205 306 H LYS 38 H LYS 38 -24.277 -8.948 -10.405 307 HA LYS 38 HA LYS 38 -21.628 -8.096 -9.304 308 1HB LYS 38 2HB LYS 38 -22.593 -8.330 -11.866 309 2HB LYS 38 1HB LYS 38 -22.903 -6.625 -11.536 310 1HG LYS 38 2HG LYS 38 -20.707 -6.623 -12.396 311 2HG LYS 38 1HG LYS 38 -20.463 -6.575 -10.649 312 1HD LYS 38 2HD LYS 38 -20.296 -9.100 -10.697 313 2HD LYS 38 1HD LYS 38 -20.283 -8.996 -12.458 314 1HE LYS 38 2HE LYS 38 -18.364 -7.192 -11.101 315 2HE LYS 38 1HE LYS 38 -18.014 -8.924 -10.945 316 1HZ LYS 38 1HZ LYS 38 -17.881 -9.204 -13.202 317 2HZ LYS 38 2HZ LYS 38 -17.267 -7.625 -13.070 318 3HZ LYS 38 3HZ LYS 38 -18.878 -7.877 -13.549 319 H CYS 39 H CYS 39 -24.980 -7.456 -9.247 320 HA CYS 39 HA CYS 39 -24.722 -4.654 -8.344 321 1HB CYS 39 2HB CYS 39 -26.783 -6.557 -9.284 322 2HB CYS 39 1HB CYS 39 -27.327 -5.472 -8.021 323 H ARG 40 H ARG 40 -25.604 -7.900 -7.180 324 HA ARG 40 HA ARG 40 -26.090 -7.052 -4.435 325 1HB ARG 40 2HB ARG 40 -26.058 -9.510 -6.078 326 2HB ARG 40 1HB ARG 40 -25.587 -9.760 -4.396 327 1HG ARG 40 2HG ARG 40 -27.678 -9.331 -3.616 328 2HG ARG 40 1HG ARG 40 -27.933 -8.010 -4.756 329 1HD ARG 40 2HD ARG 40 -29.051 -9.362 -6.196 330 2HD ARG 40 1HD ARG 40 -27.797 -10.616 -6.092 331 HE ARG 40 HE ARG 40 -28.974 -10.847 -3.653 332 1HH1 ARG 40 1HH2 ARG 40 -29.567 -12.887 -5.731 333 2HH1 ARG 40 2HH2 ARG 40 -31.290 -12.785 -5.875 334 1HH2 ARG 40 1HH1 ARG 40 -31.504 -9.697 -4.313 335 2HH2 ARG 40 2HH1 ARG 40 -32.387 -10.978 -5.073 336 H LEU 41 H LEU 41 -23.429 -8.282 -6.356 337 HA LEU 41 HA LEU 41 -21.551 -8.779 -4.231 338 1HB LEU 41 2HB LEU 41 -20.978 -9.731 -6.288 339 2HB LEU 41 1HB LEU 41 -21.548 -8.333 -7.195 340 HG LEU 41 HG LEU 41 -19.599 -7.078 -6.707 341 1HD1 LEU 41 1HD1 LEU 41 -18.010 -8.827 -5.111 342 2HD1 LEU 41 2HD1 LEU 41 -19.579 -8.676 -4.324 343 3HD1 LEU 41 3HD1 LEU 41 -18.629 -7.234 -4.679 344 1HD2 LEU 41 1HD2 LEU 41 -18.160 -9.648 -6.901 345 2HD2 LEU 41 2HD2 LEU 41 -18.154 -8.270 -8.000 346 3HD2 LEU 41 3HD2 LEU 41 -19.463 -9.450 -8.073 347 H THR 42 H THR 42 -22.584 -5.972 -6.024 348 HA THR 42 HA THR 42 -20.513 -4.133 -5.258 349 HB THR 42 HB THR 42 -23.384 -3.956 -6.145 350 HG1 THR 42 HG1 THR 42 -20.895 -3.318 -7.345 351 1HG2 THR 42 1HG2 THR 42 -23.015 -1.518 -6.448 352 2HG2 THR 42 2HG2 THR 42 -21.462 -1.672 -5.626 353 3HG2 THR 42 3HG2 THR 42 -22.959 -1.994 -4.750 354 H ALA 43 H ALA 43 -23.878 -4.248 -4.117 355 HA ALA 43 HA ALA 43 -23.681 -2.610 -1.865 356 1HB ALA 43 1HB ALA 43 -25.520 -4.353 -3.006 357 2HB ALA 43 2HB ALA 43 -25.794 -3.420 -1.535 358 3HB ALA 43 3HB ALA 43 -25.218 -5.085 -1.430 359 H ASP 44 H ASP 44 -22.541 -5.873 -2.362 360 HA ASP 44 HA ASP 44 -21.898 -6.437 0.431 361 1HB ASP 44 2HB ASP 44 -22.458 -8.052 -1.464 362 2HB ASP 44 1HB ASP 44 -20.862 -7.700 -2.124 363 H ARG 45 H ARG 45 -20.307 -5.041 -2.365 364 HA ARG 45 HA ARG 45 -17.606 -5.134 -1.248 365 1HB ARG 45 2HB ARG 45 -18.829 -4.821 -3.728 366 2HB ARG 45 1HB ARG 45 -18.182 -3.216 -3.390 367 1HG ARG 45 2HG ARG 45 -16.638 -5.826 -3.366 368 2HG ARG 45 1HG ARG 45 -16.477 -4.518 -4.539 369 1HD ARG 45 2HD ARG 45 -15.608 -3.012 -2.840 370 2HD ARG 45 1HD ARG 45 -15.929 -4.206 -1.565 371 HE ARG 45 HE ARG 45 -14.368 -5.583 -3.405 372 1HH1 ARG 45 1HH2 ARG 45 -13.502 -4.794 -0.588 373 2HH1 ARG 45 2HH2 ARG 45 -12.049 -3.914 -0.923 374 1HH2 ARG 45 1HH1 ARG 45 -12.746 -3.515 -4.294 375 2HH2 ARG 45 2HH1 ARG 45 -11.619 -3.192 -3.019 376 H GLN 46 H GLN 46 -20.334 -2.958 -1.129 377 HA GLN 46 HA GLN 46 -18.704 -0.654 -0.245 378 1HB GLN 46 2HB GLN 46 -20.573 -0.248 -1.713 379 2HB GLN 46 1HB GLN 46 -21.656 -1.180 -0.679 380 1HG GLN 46 2HG GLN 46 -20.261 1.027 0.693 381 2HG GLN 46 1HG GLN 46 -21.386 1.543 -0.563 382 1HE2 GLN 46 1HE2 GLN 46 -21.367 1.158 2.659 383 2HE2 GLN 46 2HE2 GLN 46 -22.945 0.593 2.925 384 H ARG 47 H ARG 47 -19.411 -3.381 1.301 385 HA ARG 47 HA ARG 47 -20.799 -2.504 3.689 386 1HB ARG 47 2HB ARG 47 -20.097 -4.876 2.531 387 2HB ARG 47 1HB ARG 47 -18.897 -4.772 3.819 388 1HG ARG 47 2HG ARG 47 -20.653 -5.801 4.945 389 2HG ARG 47 1HG ARG 47 -20.985 -4.102 5.290 390 1HD ARG 47 2HD ARG 47 -22.548 -4.033 3.347 391 2HD ARG 47 1HD ARG 47 -22.267 -5.768 3.094 392 HE ARG 47 HE ARG 47 -22.953 -5.237 5.848 393 1HH1 ARG 47 1HH2 ARG 47 -23.947 -7.476 3.994 394 2HH1 ARG 47 2HH2 ARG 47 -25.638 -7.108 3.923 395 1HH2 ARG 47 1HH1 ARG 47 -25.266 -3.906 5.195 396 2HH2 ARG 47 2HH1 ARG 47 -26.385 -5.088 4.603 397 H VAL 48 H VAL 48 -19.743 -0.670 4.573 398 HA VAL 48 HA VAL 48 -16.844 -0.925 5.234 399 HB VAL 48 HB VAL 48 -17.520 1.072 4.042 400 1HG1 VAL 48 1HG1 VAL 48 -19.770 1.450 4.283 401 2HG1 VAL 48 2HG1 VAL 48 -19.210 2.558 5.536 402 3HG1 VAL 48 3HG1 VAL 48 -19.779 0.947 5.972 403 1HG2 VAL 48 1HG2 VAL 48 -16.075 2.181 5.368 404 2HG2 VAL 48 2HG2 VAL 48 -16.469 1.130 6.727 405 3HG2 VAL 48 3HG2 VAL 48 -17.418 2.588 6.436 406 H MET 49 H MET 49 -18.082 -2.619 6.866 407 HA MET 49 HA MET 49 -19.195 -1.348 9.259 408 1HB MET 49 2HB MET 49 -18.219 -4.178 8.767 409 2HB MET 49 1HB MET 49 -19.341 -3.658 10.024 410 1HG MET 49 2HG MET 49 -20.266 -2.763 7.436 411 2HG MET 49 1HG MET 49 -19.994 -4.505 7.415 412 1HE MET 49 1HE MET 49 -23.057 -1.938 9.245 413 2HE MET 49 2HE MET 49 -23.308 -2.696 7.674 414 3HE MET 49 3HE MET 49 -21.858 -1.737 7.959 415 H ALA 50 H ALA 50 -17.633 -0.070 10.296 416 HA ALA 50 HA ALA 50 -14.866 -0.976 10.627 417 1HB ALA 50 1HB ALA 50 -16.495 1.405 10.961 418 2HB ALA 50 2HB ALA 50 -14.748 1.279 10.757 419 3HB ALA 50 3HB ALA 50 -15.458 1.161 12.366 420 H LEU 51 H LEU 51 -15.571 -3.072 11.735 421 HA LEU 51 HA LEU 51 -15.836 -2.596 14.679 422 1HB LEU 51 2HB LEU 51 -17.865 -3.458 13.056 423 2HB LEU 51 1HB LEU 51 -17.150 -4.994 13.548 424 HG LEU 51 HG LEU 51 -17.415 -3.099 15.768 425 1HD1 LEU 51 1HD1 LEU 51 -19.890 -4.074 14.309 426 2HD1 LEU 51 2HD1 LEU 51 -19.417 -2.396 14.570 427 3HD1 LEU 51 3HD1 LEU 51 -19.894 -3.400 15.939 428 1HD2 LEU 51 1HD2 LEU 51 -17.386 -5.093 16.817 429 2HD2 LEU 51 2HD2 LEU 51 -17.390 -5.906 15.252 430 3HD2 LEU 51 3HD2 LEU 51 -18.915 -5.527 16.053 431 H GLN 52 H GLN 52 -13.418 -2.983 14.448 432 HA GLN 52 HA GLN 52 -12.818 -5.916 14.225 433 1HB GLN 52 2HB GLN 52 -11.921 -4.089 12.551 434 2HB GLN 52 1HB GLN 52 -10.796 -3.721 13.858 435 1HG GLN 52 2HG GLN 52 -9.905 -5.940 13.844 436 2HG GLN 52 1HG GLN 52 -11.204 -6.528 12.805 437 1HE2 GLN 52 1HE2 GLN 52 -8.519 -6.889 11.993 438 2HE2 GLN 52 2HE2 GLN 52 -8.199 -5.886 10.663 Start of MODEL 14 1 1H SER 1 1H SER 1 -3.750 17.905 -18.005 2 2H SER 1 2H SER 1 -4.054 16.709 -19.173 3 3H SER 1 3H SER 1 -4.022 16.301 -17.525 4 HA SER 1 HA SER 1 -6.114 17.052 -17.137 5 1HB SER 1 2HB SER 1 -6.900 19.054 -18.592 6 2HB SER 1 1HB SER 1 -5.597 19.343 -17.443 7 HG SER 1 HG SER 1 -5.581 19.623 -20.090 8 H ILE 2 H ILE 2 -5.396 14.908 -18.908 9 HA ILE 2 HA ILE 2 -7.652 15.049 -20.884 10 HB ILE 2 HB ILE 2 -4.980 13.627 -21.125 11 1HG1 ILE 2 2HG1 ILE 2 -4.845 16.135 -21.169 12 2HG1 ILE 2 1HG1 ILE 2 -4.376 15.385 -22.695 13 1HG2 ILE 2 1HG2 ILE 2 -6.640 12.486 -22.433 14 2HG2 ILE 2 2HG2 ILE 2 -5.726 13.496 -23.554 15 3HG2 ILE 2 3HG2 ILE 2 -7.322 14.008 -23.006 16 1HD1 ILE 2 1HD1 ILE 2 -5.911 17.344 -22.992 17 2HD1 ILE 2 2HD1 ILE 2 -7.149 16.457 -22.103 18 3HD1 ILE 2 3HD1 ILE 2 -6.564 15.843 -23.650 19 H SER 3 H SER 3 -5.595 12.863 -18.935 20 HA SER 3 HA SER 3 -7.852 10.889 -18.923 21 1HB SER 3 2HB SER 3 -4.846 10.666 -18.676 22 2HB SER 3 1HB SER 3 -5.920 9.322 -18.293 23 HG SER 3 HG SER 3 -5.728 10.727 -20.757 24 HA PRO 4 HA PRO 4 -7.362 12.594 -14.622 25 1HB PRO 4 2HB PRO 4 -10.017 13.137 -14.234 26 2HB PRO 4 1HB PRO 4 -8.890 14.300 -14.961 27 1HG PRO 4 2HG PRO 4 -10.883 12.523 -16.272 28 2HG PRO 4 1HG PRO 4 -10.415 14.183 -16.669 29 1HD PRO 4 2HD PRO 4 -9.533 11.991 -18.040 30 2HD PRO 4 1HD PRO 4 -8.627 13.516 -17.928 31 H ARG 5 H ARG 5 -9.156 11.857 -12.740 32 HA ARG 5 HA ARG 5 -9.088 8.913 -12.862 33 1HB ARG 5 2HB ARG 5 -8.864 10.924 -10.922 34 2HB ARG 5 1HB ARG 5 -10.400 10.132 -10.565 35 1HG ARG 5 2HG ARG 5 -9.219 8.497 -9.560 36 2HG ARG 5 1HG ARG 5 -8.641 8.033 -11.161 37 1HD ARG 5 2HD ARG 5 -6.825 9.829 -10.864 38 2HD ARG 5 1HD ARG 5 -7.294 9.855 -9.153 39 HE ARG 5 HE ARG 5 -7.033 7.173 -9.624 40 1HH1 ARG 5 1HH2 ARG 5 -4.998 9.624 -8.787 41 2HH1 ARG 5 2HH2 ARG 5 -3.538 8.882 -9.349 42 1HH2 ARG 5 1HH1 ARG 5 -5.170 6.321 -11.024 43 2HH2 ARG 5 2HH1 ARG 5 -3.635 7.011 -10.617 44 H THR 6 H THR 6 -11.327 8.221 -11.388 45 HA THR 6 HA THR 6 -13.544 8.867 -13.295 46 HB THR 6 HB THR 6 -14.410 6.661 -12.162 47 HG1 THR 6 HG1 THR 6 -13.003 6.364 -10.551 48 1HG2 THR 6 1HG2 THR 6 -12.844 5.335 -13.701 49 2HG2 THR 6 2HG2 THR 6 -12.088 6.883 -14.079 50 3HG2 THR 6 3HG2 THR 6 -13.791 6.619 -14.456 51 HA PRO 7 HA PRO 7 -15.617 10.834 -9.933 52 1HB PRO 7 2HB PRO 7 -18.136 10.869 -10.994 53 2HB PRO 7 1HB PRO 7 -16.840 11.945 -11.552 54 1HG PRO 7 2HG PRO 7 -17.910 9.471 -12.792 55 2HG PRO 7 1HG PRO 7 -17.298 10.945 -13.554 56 1HD PRO 7 2HD PRO 7 -15.886 8.587 -13.332 57 2HD PRO 7 1HD PRO 7 -15.154 10.189 -13.569 58 HA PRO 8 HA PRO 8 -17.499 7.642 -7.565 59 1HB PRO 8 2HB PRO 8 -19.262 9.057 -6.026 60 2HB PRO 8 1HB PRO 8 -17.505 9.109 -5.780 61 1HG PRO 8 2HG PRO 8 -19.280 11.067 -7.145 62 2HG PRO 8 1HG PRO 8 -17.878 11.350 -6.101 63 1HD PRO 8 2HD PRO 8 -17.795 11.524 -8.825 64 2HD PRO 8 1HD PRO 8 -16.388 11.111 -7.822 65 H ASN 9 H ASN 9 -18.570 7.120 -9.845 66 HA ASN 9 HA ASN 9 -21.356 7.792 -10.267 67 1HB ASN 9 2HB ASN 9 -21.141 6.270 -12.085 68 2HB ASN 9 1HB ASN 9 -19.540 6.985 -11.900 69 1HD2 ASN 9 1HD2 ASN 9 -17.804 5.615 -11.203 70 2HD2 ASN 9 2HD2 ASN 9 -17.989 3.943 -10.977 71 H CYS 10 H CYS 10 -22.995 5.929 -10.420 72 HA CYS 10 HA CYS 10 -23.235 4.683 -7.778 73 1HB CYS 10 2HB CYS 10 -25.173 5.646 -8.924 74 2HB CYS 10 1HB CYS 10 -24.867 4.678 -10.330 75 H ALA 11 H ALA 11 -22.848 2.468 -7.350 76 HA ALA 11 HA ALA 11 -21.501 0.988 -9.483 77 1HB ALA 11 1HB ALA 11 -21.905 0.736 -6.542 78 2HB ALA 11 2HB ALA 11 -20.409 0.670 -7.474 79 3HB ALA 11 3HB ALA 11 -21.487 -0.725 -7.436 80 H ARG 12 H ARG 12 -24.599 0.958 -7.902 81 HA ARG 12 HA ARG 12 -25.541 -1.653 -8.500 82 1HB ARG 12 2HB ARG 12 -26.603 0.174 -7.150 83 2HB ARG 12 1HB ARG 12 -26.942 1.036 -8.640 84 1HG ARG 12 2HG ARG 12 -28.864 -0.091 -8.751 85 2HG ARG 12 1HG ARG 12 -27.915 -1.537 -9.092 86 1HD ARG 12 2HD ARG 12 -28.040 -0.822 -6.226 87 2HD ARG 12 1HD ARG 12 -29.595 -1.298 -6.936 88 HE ARG 12 HE ARG 12 -27.790 -3.161 -7.936 89 1HH1 ARG 12 1HH2 ARG 12 -26.409 -2.612 -5.269 90 2HH1 ARG 12 2HH2 ARG 12 -27.108 -3.844 -4.272 91 1HH2 ARG 12 1HH1 ARG 12 -29.716 -4.503 -6.464 92 2HH2 ARG 12 2HH1 ARG 12 -28.984 -4.916 -4.949 93 H CYS 13 H CYS 13 -25.615 1.302 -10.430 94 HA CYS 13 HA CYS 13 -26.709 -0.175 -12.712 95 1HB CYS 13 2HB CYS 13 -26.754 2.125 -13.703 96 2HB CYS 13 1HB CYS 13 -27.484 2.064 -12.121 97 H ARG 14 H ARG 14 -23.405 0.859 -11.769 98 HA ARG 14 HA ARG 14 -22.334 0.802 -14.462 99 1HB ARG 14 2HB ARG 14 -20.163 0.313 -13.272 100 2HB ARG 14 1HB ARG 14 -21.026 1.710 -12.635 101 1HG ARG 14 2HG ARG 14 -20.313 0.428 -10.745 102 2HG ARG 14 1HG ARG 14 -22.035 0.176 -10.922 103 1HD ARG 14 2HD ARG 14 -21.742 -2.048 -11.091 104 2HD ARG 14 1HD ARG 14 -20.597 -1.828 -12.429 105 HE ARG 14 HE ARG 14 -19.472 -1.125 -9.826 106 1HH1 ARG 14 1HH2 ARG 14 -20.600 -4.072 -10.222 107 2HH1 ARG 14 2HH2 ARG 14 -19.102 -4.890 -10.513 108 1HH2 ARG 14 1HH1 ARG 14 -17.304 -1.972 -11.031 109 2HH2 ARG 14 2HH1 ARG 14 -17.235 -3.701 -10.972 110 H ASN 15 H ASN 15 -23.231 -1.666 -12.213 111 HA ASN 15 HA ASN 15 -21.796 -3.912 -12.898 112 1HB ASN 15 2HB ASN 15 -24.721 -3.413 -12.360 113 2HB ASN 15 1HB ASN 15 -24.062 -5.041 -12.434 114 1HD2 ASN 15 1HD2 ASN 15 -24.924 -2.813 -10.252 115 2HD2 ASN 15 2HD2 ASN 15 -23.734 -3.014 -9.065 116 H HIS 16 H HIS 16 -24.396 -2.387 -14.643 117 HA HIS 16 HA HIS 16 -24.246 -4.399 -16.821 118 1HB HIS 16 2HB HIS 16 -26.159 -2.172 -16.084 119 2HB HIS 16 1HB HIS 16 -26.415 -3.326 -17.374 120 HD1 HIS 16 HD1 HIS 16 -27.119 -5.703 -16.778 121 HD2 HIS 16 HD2 HIS 16 -26.114 -3.366 -13.480 122 HE1 HIS 16 HE1 HIS 16 -27.721 -7.072 -14.717 123 H GLY 17 H GLY 17 -23.053 -1.285 -16.073 124 1HA GLY 17 2HA GLY 17 -21.398 -0.392 -17.723 125 2HA GLY 17 1HA GLY 17 -22.556 -0.806 -18.988 126 H LEU 18 H LEU 18 -23.462 0.609 -15.922 127 HA LEU 18 HA LEU 18 -24.505 2.986 -17.391 128 1HB LEU 18 2HB LEU 18 -25.632 1.181 -15.668 129 2HB LEU 18 1HB LEU 18 -25.185 2.476 -14.559 130 HG LEU 18 HG LEU 18 -27.491 2.723 -15.502 131 1HD1 LEU 18 1HD1 LEU 18 -27.262 4.969 -15.387 132 2HD1 LEU 18 2HD1 LEU 18 -26.097 5.007 -16.712 133 3HD1 LEU 18 3HD1 LEU 18 -25.561 4.624 -15.076 134 1HD2 LEU 18 1HD2 LEU 18 -27.893 2.918 -17.771 135 2HD2 LEU 18 2HD2 LEU 18 -26.508 1.827 -17.817 136 3HD2 LEU 18 3HD2 LEU 18 -26.282 3.552 -18.107 137 H LYS 19 H LYS 19 -24.184 5.110 -16.350 138 HA LYS 19 HA LYS 19 -22.200 5.361 -14.192 139 1HB LYS 19 2HB LYS 19 -21.171 5.028 -16.634 140 2HB LYS 19 1HB LYS 19 -21.550 6.746 -16.770 141 1HG LYS 19 2HG LYS 19 -19.286 6.538 -15.926 142 2HG LYS 19 1HG LYS 19 -20.313 7.123 -14.615 143 1HD LYS 19 2HD LYS 19 -19.314 5.420 -13.456 144 2HD LYS 19 1HD LYS 19 -20.565 4.450 -14.236 145 1HE LYS 19 2HE LYS 19 -18.922 4.082 -16.154 146 2HE LYS 19 1HE LYS 19 -17.679 4.792 -15.103 147 1HZ LYS 19 1HZ LYS 19 -19.475 2.670 -14.110 148 2HZ LYS 19 2HZ LYS 19 -17.956 3.145 -13.514 149 3HZ LYS 19 3HZ LYS 19 -18.066 2.272 -14.967 150 H ILE 20 H ILE 20 -23.835 6.515 -13.137 151 HA ILE 20 HA ILE 20 -24.889 8.968 -14.466 152 HB ILE 20 HB ILE 20 -26.842 8.455 -13.387 153 1HG1 ILE 20 2HG1 ILE 20 -25.562 8.969 -11.156 154 2HG1 ILE 20 1HG1 ILE 20 -27.126 8.211 -11.168 155 1HG2 ILE 20 1HG2 ILE 20 -25.506 5.832 -12.840 156 2HG2 ILE 20 2HG2 ILE 20 -26.130 6.330 -14.407 157 3HG2 ILE 20 3HG2 ILE 20 -27.232 6.128 -13.048 158 1HD1 ILE 20 1HD1 ILE 20 -24.509 6.744 -11.100 159 2HD1 ILE 20 2HD1 ILE 20 -26.109 6.007 -11.060 160 3HD1 ILE 20 3HD1 ILE 20 -25.568 7.016 -9.731 161 H THR 21 H THR 21 -22.497 8.084 -12.278 162 HA THR 21 HA THR 21 -21.056 9.518 -11.000 163 HB THR 21 HB THR 21 -23.135 11.679 -11.122 164 HG1 THR 21 HG1 THR 21 -23.001 11.785 -13.201 165 1HG2 THR 21 1HG2 THR 21 -20.203 11.414 -10.774 166 2HG2 THR 21 2HG2 THR 21 -21.318 12.589 -10.076 167 3HG2 THR 21 3HG2 THR 21 -20.739 12.798 -11.729 168 H LEU 22 H LEU 22 -24.041 8.399 -10.329 169 HA LEU 22 HA LEU 22 -25.347 8.033 -8.392 170 1HB LEU 22 2HB LEU 22 -23.174 6.877 -8.009 171 2HB LEU 22 1HB LEU 22 -22.592 8.309 -7.171 172 HG LEU 22 HG LEU 22 -23.698 6.249 -5.870 173 1HD1 LEU 22 1HD1 LEU 22 -23.131 7.705 -4.261 174 2HD1 LEU 22 2HD1 LEU 22 -24.713 8.459 -4.463 175 3HD1 LEU 22 3HD1 LEU 22 -23.323 9.070 -5.361 176 1HD2 LEU 22 1HD2 LEU 22 -26.082 8.076 -6.202 177 2HD2 LEU 22 2HD2 LEU 22 -26.025 6.468 -5.481 178 3HD2 LEU 22 3HD2 LEU 22 -25.859 6.658 -7.226 179 H LYS 23 H LYS 23 -24.582 10.984 -9.152 180 HA LYS 23 HA LYS 23 -24.690 12.343 -6.556 181 1HB LYS 23 2HB LYS 23 -23.601 13.184 -8.699 182 2HB LYS 23 1HB LYS 23 -25.225 13.410 -9.347 183 1HG LYS 23 2HG LYS 23 -24.753 14.576 -6.664 184 2HG LYS 23 1HG LYS 23 -23.875 15.340 -7.989 185 1HD LYS 23 2HD LYS 23 -25.919 15.749 -9.205 186 2HD LYS 23 1HD LYS 23 -26.853 14.784 -8.061 187 1HE LYS 23 2HE LYS 23 -25.662 16.604 -6.380 188 2HE LYS 23 1HE LYS 23 -25.940 17.583 -7.835 189 1HZ LYS 23 1HZ LYS 23 -28.206 16.346 -7.840 190 2HZ LYS 23 2HZ LYS 23 -27.989 17.688 -6.819 191 3HZ LYS 23 3HZ LYS 23 -27.889 16.113 -6.190 192 H GLY 24 H GLY 24 -26.648 12.177 -5.420 193 1HA GLY 24 2HA GLY 24 -28.986 12.026 -5.079 194 2HA GLY 24 1HA GLY 24 -29.084 13.258 -6.347 195 H HIS 25 H HIS 25 -28.312 9.782 -6.106 196 HA HIS 25 HA HIS 25 -29.961 9.335 -8.573 197 1HB HIS 25 2HB HIS 25 -27.585 9.319 -8.999 198 2HB HIS 25 1HB HIS 25 -27.299 8.254 -7.630 199 HD1 HIS 25 HD1 HIS 25 -29.363 8.136 -10.857 200 HD2 HIS 25 HD2 HIS 25 -26.954 5.686 -8.506 201 HE1 HIS 25 HE1 HIS 25 -29.000 5.975 -12.139 202 H LYS 26 H LYS 26 -28.360 6.650 -7.114 203 HA LYS 26 HA LYS 26 -29.296 4.666 -6.242 204 1HB LYS 26 2HB LYS 26 -30.388 6.961 -4.603 205 2HB LYS 26 1HB LYS 26 -30.661 5.279 -4.143 206 1HG LYS 26 2HG LYS 26 -27.873 6.180 -4.785 207 2HG LYS 26 1HG LYS 26 -28.559 6.569 -3.208 208 1HD LYS 26 2HD LYS 26 -29.054 3.796 -4.000 209 2HD LYS 26 1HD LYS 26 -27.336 4.176 -3.883 210 1HE LYS 26 2HE LYS 26 -29.372 4.794 -1.713 211 2HE LYS 26 1HE LYS 26 -28.265 3.406 -1.696 212 1HZ LYS 26 1HZ LYS 26 -27.708 6.165 -1.157 213 2HZ LYS 26 2HZ LYS 26 -26.675 5.532 -2.348 214 3HZ LYS 26 3HZ LYS 26 -26.770 4.793 -0.821 215 H ARG 27 H ARG 27 -32.200 6.395 -5.343 216 HA ARG 27 HA ARG 27 -34.045 4.602 -6.432 217 1HB ARG 27 2HB ARG 27 -34.181 6.825 -4.967 218 2HB ARG 27 1HB ARG 27 -34.599 7.547 -6.521 219 1HG ARG 27 2HG ARG 27 -36.680 6.705 -6.403 220 2HG ARG 27 1HG ARG 27 -36.041 5.074 -6.188 221 1HD ARG 27 2HD ARG 27 -36.921 5.184 -4.088 222 2HD ARG 27 1HD ARG 27 -35.575 6.280 -3.717 223 HE ARG 27 HE ARG 27 -38.332 7.117 -4.425 224 1HH1 ARG 27 1HH2 ARG 27 -36.102 8.805 -5.682 225 2HH1 ARG 27 2HH2 ARG 27 -35.941 10.062 -4.502 226 1HH2 ARG 27 1HH1 ARG 27 -37.676 8.338 -2.043 227 2HH2 ARG 27 2HH1 ARG 27 -36.835 9.798 -2.442 228 H TYR 28 H TYR 28 -32.217 7.121 -8.056 229 HA TYR 28 HA TYR 28 -33.789 7.031 -10.537 230 1HB TYR 28 2HB TYR 28 -31.204 8.286 -9.587 231 2HB TYR 28 1HB TYR 28 -31.745 8.434 -11.262 232 HD1 TYR 28 HD1 TYR 28 -32.727 9.110 -7.732 233 HD2 TYR 28 HD2 TYR 28 -33.475 9.941 -11.879 234 HE1 TYR 28 HE1 TYR 28 -34.266 10.945 -7.087 235 HE2 TYR 28 HE2 TYR 28 -35.014 11.774 -11.235 236 HH TYR 28 HH TYR 28 -35.586 13.156 -9.459 237 H CYS 29 H CYS 29 -31.607 4.932 -9.134 238 HA CYS 29 HA CYS 29 -29.824 4.257 -11.255 239 1HB CYS 29 2HB CYS 29 -29.915 3.589 -8.728 240 2HB CYS 29 1HB CYS 29 -30.965 2.297 -9.282 241 H LYS 30 H LYS 30 -29.912 2.616 -12.793 242 HA LYS 30 HA LYS 30 -32.657 1.765 -13.614 243 1HB LYS 30 2HB LYS 30 -30.095 2.390 -14.885 244 2HB LYS 30 1HB LYS 30 -30.718 0.831 -15.426 245 1HG LYS 30 2HG LYS 30 -32.952 2.528 -15.387 246 2HG LYS 30 1HG LYS 30 -31.653 3.494 -16.089 247 1HD LYS 30 2HD LYS 30 -31.247 1.124 -17.362 248 2HD LYS 30 1HD LYS 30 -32.998 1.082 -17.157 249 1HE LYS 30 2HE LYS 30 -33.026 3.468 -18.104 250 2HE LYS 30 1HE LYS 30 -31.347 3.171 -18.598 251 1HZ LYS 30 1HZ LYS 30 -32.029 1.206 -19.768 252 2HZ LYS 30 2HZ LYS 30 -32.972 2.508 -20.314 253 3HZ LYS 30 3HZ LYS 30 -33.629 1.377 -19.232 254 H PHE 31 H PHE 31 -30.423 0.837 -11.500 255 HA PHE 31 HA PHE 31 -30.916 -2.089 -11.788 256 1HB PHE 31 2HB PHE 31 -28.292 -0.624 -11.279 257 2HB PHE 31 1HB PHE 31 -28.452 -2.383 -11.364 258 HD1 PHE 31 HD1 PHE 31 -28.634 0.775 -13.262 259 HD2 PHE 31 HD2 PHE 31 -28.839 -3.503 -13.475 260 HE1 PHE 31 HE1 PHE 31 -28.505 0.900 -15.722 261 HE2 PHE 31 HE2 PHE 31 -28.705 -3.387 -15.937 262 HZ PHE 31 HZ PHE 31 -28.533 -1.185 -17.076 263 H ARG 32 H ARG 32 -31.442 0.549 -10.008 264 HA ARG 32 HA ARG 32 -30.461 0.312 -7.428 265 1HB ARG 32 2HB ARG 32 -33.027 1.025 -6.910 266 2HB ARG 32 1HB ARG 32 -31.829 2.134 -7.558 267 1HG ARG 32 2HG ARG 32 -34.079 2.084 -8.758 268 2HG ARG 32 1HG ARG 32 -32.662 1.888 -9.768 269 1HD ARG 32 2HD ARG 32 -33.106 -0.362 -10.206 270 2HD ARG 32 1HD ARG 32 -34.025 -0.562 -8.701 271 HE ARG 32 HE ARG 32 -35.873 0.664 -9.723 272 1HH1 ARG 32 1HH2 ARG 32 -35.074 -1.486 -11.757 273 2HH1 ARG 32 2HH2 ARG 32 -35.098 -0.569 -13.226 274 1HH2 ARG 32 1HH1 ARG 32 -35.084 2.504 -11.622 275 2HH2 ARG 32 2HH1 ARG 32 -35.102 1.689 -13.150 276 H TYR 33 H TYR 33 -32.631 -1.841 -9.048 277 HA TYR 33 HA TYR 33 -32.974 -3.362 -6.484 278 1HB TYR 33 2HB TYR 33 -34.930 -2.755 -8.715 279 2HB TYR 33 1HB TYR 33 -35.240 -3.963 -7.468 280 HD1 TYR 33 HD1 TYR 33 -36.397 -0.968 -8.219 281 HD2 TYR 33 HD2 TYR 33 -34.037 -2.720 -5.085 282 HE1 TYR 33 HE1 TYR 33 -37.131 0.820 -6.664 283 HE2 TYR 33 HE2 TYR 33 -34.770 -0.933 -3.532 284 HH TYR 33 HH TYR 33 -35.671 1.661 -4.010 285 H CYS 34 H CYS 34 -31.658 -3.425 -9.555 286 HA CYS 34 HA CYS 34 -32.233 -5.901 -10.705 287 1HB CYS 34 2HB CYS 34 -30.589 -4.174 -11.514 288 2HB CYS 34 1HB CYS 34 -29.506 -4.669 -10.212 289 H THR 35 H THR 35 -30.787 -7.948 -10.464 290 HA THR 35 HA THR 35 -29.934 -8.366 -7.632 291 HB THR 35 HB THR 35 -31.171 -10.647 -7.950 292 HG1 THR 35 HG1 THR 35 -31.537 -10.163 -10.218 293 1HG2 THR 35 1HG2 THR 35 -33.170 -9.706 -7.011 294 2HG2 THR 35 2HG2 THR 35 -32.864 -8.145 -7.771 295 3HG2 THR 35 3HG2 THR 35 -31.830 -8.703 -6.456 296 H CYS 36 H CYS 36 -28.979 -8.458 -10.778 297 HA CYS 36 HA CYS 36 -27.850 -10.967 -11.287 298 1HB CYS 36 2HB CYS 36 -26.342 -9.762 -12.718 299 2HB CYS 36 1HB CYS 36 -27.856 -8.860 -12.699 300 H GLU 37 H GLU 37 -25.275 -11.326 -11.067 301 HA GLU 37 HA GLU 37 -24.719 -11.312 -8.186 302 1HB GLU 37 2HB GLU 37 -22.802 -12.680 -8.888 303 2HB GLU 37 1HB GLU 37 -24.261 -13.215 -9.722 304 1HG GLU 37 2HG GLU 37 -23.366 -11.318 -11.457 305 2HG GLU 37 1HG GLU 37 -21.836 -11.913 -10.810 306 H LYS 38 H LYS 38 -24.282 -8.978 -10.506 307 HA LYS 38 HA LYS 38 -21.668 -8.013 -9.422 308 1HB LYS 38 2HB LYS 38 -23.080 -7.973 -11.956 309 2HB LYS 38 1HB LYS 38 -22.690 -6.326 -11.458 310 1HG LYS 38 2HG LYS 38 -20.325 -7.228 -10.961 311 2HG LYS 38 1HG LYS 38 -20.803 -8.638 -11.909 312 1HD LYS 38 2HD LYS 38 -20.745 -7.494 -13.878 313 2HD LYS 38 1HD LYS 38 -21.426 -6.034 -13.161 314 1HE LYS 38 2HE LYS 38 -19.367 -5.117 -12.925 315 2HE LYS 38 1HE LYS 38 -18.759 -6.573 -12.111 316 1HZ LYS 38 1HZ LYS 38 -18.411 -7.643 -14.174 317 2HZ LYS 38 2HZ LYS 38 -17.735 -6.093 -14.341 318 3HZ LYS 38 3HZ LYS 38 -19.246 -6.443 -15.033 319 H CYS 39 H CYS 39 -25.057 -7.557 -9.314 320 HA CYS 39 HA CYS 39 -24.955 -4.792 -8.289 321 1HB CYS 39 2HB CYS 39 -26.910 -6.805 -9.252 322 2HB CYS 39 1HB CYS 39 -27.496 -5.769 -7.964 323 H ARG 40 H ARG 40 -25.641 -8.122 -7.242 324 HA ARG 40 HA ARG 40 -26.114 -7.433 -4.456 325 1HB ARG 40 2HB ARG 40 -25.740 -9.872 -6.156 326 2HB ARG 40 1HB ARG 40 -25.540 -10.053 -4.413 327 1HG ARG 40 2HG ARG 40 -27.764 -9.207 -3.999 328 2HG ARG 40 1HG ARG 40 -27.965 -8.771 -5.697 329 1HD ARG 40 2HD ARG 40 -29.124 -10.895 -5.252 330 2HD ARG 40 1HD ARG 40 -27.721 -11.204 -6.294 331 HE ARG 40 HE ARG 40 -26.487 -11.951 -4.288 332 1HH1 ARG 40 1HH2 ARG 40 -29.724 -12.665 -4.540 333 2HH1 ARG 40 2HH2 ARG 40 -29.961 -13.073 -2.874 334 1HH2 ARG 40 1HH1 ARG 40 -26.843 -11.928 -1.877 335 2HH2 ARG 40 2HH1 ARG 40 -28.328 -12.658 -1.366 336 H LEU 41 H LEU 41 -23.409 -8.363 -6.474 337 HA LEU 41 HA LEU 41 -21.465 -8.838 -4.406 338 1HB LEU 41 2HB LEU 41 -20.869 -9.662 -6.500 339 2HB LEU 41 1HB LEU 41 -21.556 -8.277 -7.345 340 HG LEU 41 HG LEU 41 -19.683 -6.905 -6.834 341 1HD1 LEU 41 1HD1 LEU 41 -18.640 -7.101 -4.849 342 2HD1 LEU 41 2HD1 LEU 41 -17.940 -8.631 -5.375 343 3HD1 LEU 41 3HD1 LEU 41 -19.494 -8.613 -4.541 344 1HD2 LEU 41 1HD2 LEU 41 -17.871 -8.087 -7.875 345 2HD2 LEU 41 2HD2 LEU 41 -19.356 -8.742 -8.565 346 3HD2 LEU 41 3HD2 LEU 41 -18.489 -9.644 -7.322 347 H THR 42 H THR 42 -22.709 -5.996 -6.011 348 HA THR 42 HA THR 42 -20.685 -4.127 -5.123 349 HB THR 42 HB THR 42 -23.518 -3.974 -6.146 350 HG1 THR 42 HG1 THR 42 -20.958 -3.306 -7.159 351 1HG2 THR 42 1HG2 THR 42 -23.264 -1.533 -6.264 352 2HG2 THR 42 2HG2 THR 42 -21.687 -1.650 -5.483 353 3HG2 THR 42 3HG2 THR 42 -23.146 -2.083 -4.593 354 H ALA 43 H ALA 43 -24.099 -4.305 -4.164 355 HA ALA 43 HA ALA 43 -24.068 -2.813 -1.825 356 1HB ALA 43 1HB ALA 43 -26.182 -3.609 -2.176 357 2HB ALA 43 2HB ALA 43 -25.675 -4.980 -1.189 358 3HB ALA 43 3HB ALA 43 -25.585 -5.078 -2.948 359 H ASP 44 H ASP 44 -22.805 -6.035 -2.384 360 HA ASP 44 HA ASP 44 -22.299 -6.743 0.376 361 1HB ASP 44 2HB ASP 44 -22.456 -8.159 -1.798 362 2HB ASP 44 1HB ASP 44 -20.784 -7.670 -2.073 363 H ARG 45 H ARG 45 -20.378 -5.265 -2.231 364 HA ARG 45 HA ARG 45 -17.861 -5.107 -0.935 365 1HB ARG 45 2HB ARG 45 -19.034 -4.343 -3.319 366 2HB ARG 45 1HB ARG 45 -18.658 -2.790 -2.572 367 1HG ARG 45 2HG ARG 45 -16.380 -3.160 -2.618 368 2HG ARG 45 1HG ARG 45 -16.556 -4.912 -2.497 369 1HD ARG 45 2HD ARG 45 -15.857 -4.569 -4.743 370 2HD ARG 45 1HD ARG 45 -17.618 -4.731 -4.883 371 HE ARG 45 HE ARG 45 -17.725 -2.219 -4.844 372 1HH1 ARG 45 1HH2 ARG 45 -14.918 -1.690 -3.963 373 2HH1 ARG 45 2HH2 ARG 45 -14.138 -1.277 -5.453 374 1HH2 ARG 45 1HH1 ARG 45 -16.650 -2.598 -7.443 375 2HH2 ARG 45 2HH1 ARG 45 -15.118 -1.789 -7.422 376 H GLN 46 H GLN 46 -20.718 -3.015 -0.697 377 HA GLN 46 HA GLN 46 -19.334 -1.060 1.020 378 1HB GLN 46 2HB GLN 46 -21.084 -0.507 -0.690 379 2HB GLN 46 1HB GLN 46 -22.259 -1.395 0.281 380 1HG GLN 46 2HG GLN 46 -22.259 0.186 1.980 381 2HG GLN 46 1HG GLN 46 -20.630 0.745 1.601 382 1HE2 GLN 46 1HE2 GLN 46 -23.280 0.334 -0.763 383 2HE2 GLN 46 2HE2 GLN 46 -23.393 1.979 -1.166 384 H ARG 47 H ARG 47 -21.323 -3.913 1.394 385 HA ARG 47 HA ARG 47 -22.326 -3.420 4.039 386 1HB ARG 47 2HB ARG 47 -23.290 -5.129 2.669 387 2HB ARG 47 1HB ARG 47 -21.722 -5.887 2.393 388 1HG ARG 47 2HG ARG 47 -22.144 -7.234 4.148 389 2HG ARG 47 1HG ARG 47 -22.034 -5.819 5.192 390 1HD ARG 47 2HD ARG 47 -24.607 -5.745 3.964 391 2HD ARG 47 1HD ARG 47 -24.360 -7.385 4.598 392 HE ARG 47 HE ARG 47 -23.621 -6.215 6.760 393 1HH1 ARG 47 1HH2 ARG 47 -24.685 -3.879 4.641 394 2HH1 ARG 47 2HH2 ARG 47 -25.891 -3.208 5.686 395 1HH2 ARG 47 1HH1 ARG 47 -25.627 -5.736 8.047 396 2HH2 ARG 47 2HH1 ARG 47 -26.426 -4.260 7.617 397 H VAL 48 H VAL 48 -21.327 -3.642 6.015 398 HA VAL 48 HA VAL 48 -18.508 -4.671 6.029 399 HB VAL 48 HB VAL 48 -18.904 -2.227 6.468 400 1HG1 VAL 48 1HG1 VAL 48 -20.183 -3.126 9.054 401 2HG1 VAL 48 2HG1 VAL 48 -21.145 -2.726 7.631 402 3HG1 VAL 48 3HG1 VAL 48 -20.120 -1.500 8.376 403 1HG2 VAL 48 1HG2 VAL 48 -17.130 -3.849 7.636 404 2HG2 VAL 48 2HG2 VAL 48 -18.028 -3.384 9.081 405 3HG2 VAL 48 3HG2 VAL 48 -17.256 -2.149 8.087 406 H MET 49 H MET 49 -18.505 -6.699 6.931 407 HA MET 49 HA MET 49 -20.609 -7.529 8.815 408 1HB MET 49 2HB MET 49 -18.120 -8.922 7.778 409 2HB MET 49 1HB MET 49 -19.479 -9.703 8.587 410 1HG MET 49 2HG MET 49 -19.653 -8.171 5.973 411 2HG MET 49 1HG MET 49 -19.631 -9.929 6.120 412 1HE MET 49 1HE MET 49 -22.436 -11.146 6.090 413 2HE MET 49 2HE MET 49 -21.280 -10.405 4.985 414 3HE MET 49 3HE MET 49 -22.950 -9.838 5.015 415 H ALA 50 H ALA 50 -18.286 -5.494 9.440 416 HA ALA 50 HA ALA 50 -17.346 -6.866 11.941 417 1HB ALA 50 1HB ALA 50 -15.831 -5.991 9.885 418 2HB ALA 50 2HB ALA 50 -15.265 -5.948 11.555 419 3HB ALA 50 3HB ALA 50 -15.934 -4.495 10.813 420 H LEU 51 H LEU 51 -18.181 -5.964 13.783 421 HA LEU 51 HA LEU 51 -19.129 -3.118 13.657 422 1HB LEU 51 2HB LEU 51 -20.507 -5.498 14.163 423 2HB LEU 51 1HB LEU 51 -20.257 -4.797 15.761 424 HG LEU 51 HG LEU 51 -22.368 -4.002 14.716 425 1HD1 LEU 51 1HD1 LEU 51 -21.474 -1.443 14.699 426 2HD1 LEU 51 2HD1 LEU 51 -20.115 -2.234 15.498 427 3HD1 LEU 51 3HD1 LEU 51 -21.737 -2.362 16.181 428 1HD2 LEU 51 1HD2 LEU 51 -20.881 -2.294 12.798 429 2HD2 LEU 51 2HD2 LEU 51 -22.450 -3.078 12.622 430 3HD2 LEU 51 3HD2 LEU 51 -20.970 -4.006 12.383 431 H GLN 52 H GLN 52 -17.223 -2.158 14.522 432 HA GLN 52 HA GLN 52 -16.793 -2.648 17.421 433 1HB GLN 52 2HB GLN 52 -15.250 -3.893 15.498 434 2HB GLN 52 1HB GLN 52 -14.302 -2.450 15.861 435 1HG GLN 52 2HG GLN 52 -15.339 -4.444 17.898 436 2HG GLN 52 1HG GLN 52 -13.667 -4.297 17.359 437 1HE2 GLN 52 1HE2 GLN 52 -12.528 -2.226 17.906 438 2HE2 GLN 52 2HE2 GLN 52 -13.047 -1.317 19.242 Start of MODEL 15 1 1H SER 1 1H SER 1 -5.447 5.316 -17.629 2 2H SER 1 2H SER 1 -7.046 5.040 -17.127 3 3H SER 1 3H SER 1 -5.794 4.029 -16.582 4 HA SER 1 HA SER 1 -6.702 5.897 -15.027 5 1HB SER 1 2HB SER 1 -4.123 6.085 -14.387 6 2HB SER 1 1HB SER 1 -4.981 4.554 -14.232 7 HG SER 1 HG SER 1 -2.999 5.324 -15.980 8 H ILE 2 H ILE 2 -7.401 7.913 -15.860 9 HA ILE 2 HA ILE 2 -5.256 9.690 -16.980 10 HB ILE 2 HB ILE 2 -7.057 10.763 -18.210 11 1HG1 ILE 2 2HG1 ILE 2 -9.225 8.967 -17.483 12 2HG1 ILE 2 1HG1 ILE 2 -8.636 9.846 -16.071 13 1HG2 ILE 2 1HG2 ILE 2 -7.780 7.861 -18.443 14 2HG2 ILE 2 2HG2 ILE 2 -6.131 8.361 -18.817 15 3HG2 ILE 2 3HG2 ILE 2 -7.485 9.043 -19.718 16 1HD1 ILE 2 1HD1 ILE 2 -8.869 11.536 -18.455 17 2HD1 ILE 2 2HD1 ILE 2 -9.464 11.816 -16.820 18 3HD1 ILE 2 3HD1 ILE 2 -10.409 10.843 -17.948 19 H SER 3 H SER 3 -7.163 9.130 -14.254 20 HA SER 3 HA SER 3 -6.471 11.760 -13.125 21 1HB SER 3 2HB SER 3 -9.174 10.977 -14.089 22 2HB SER 3 1HB SER 3 -9.111 11.810 -12.539 23 HG SER 3 HG SER 3 -8.797 12.792 -15.021 24 HA PRO 4 HA PRO 4 -6.421 8.691 -9.847 25 1HB PRO 4 2HB PRO 4 -4.830 10.136 -8.160 26 2HB PRO 4 1HB PRO 4 -4.191 9.216 -9.536 27 1HG PRO 4 2HG PRO 4 -4.621 12.129 -9.249 28 2HG PRO 4 1HG PRO 4 -3.384 11.250 -10.158 29 1HD PRO 4 2HD PRO 4 -5.647 12.436 -11.248 30 2HD PRO 4 1HD PRO 4 -4.655 11.191 -12.035 31 H ARG 5 H ARG 5 -8.443 8.718 -8.848 32 HA ARG 5 HA ARG 5 -8.882 10.656 -6.678 33 1HB ARG 5 2HB ARG 5 -10.882 11.612 -7.644 34 2HB ARG 5 1HB ARG 5 -9.598 11.751 -8.846 35 1HG ARG 5 2HG ARG 5 -10.632 9.267 -9.411 36 2HG ARG 5 1HG ARG 5 -12.073 10.162 -8.928 37 1HD ARG 5 2HD ARG 5 -10.632 11.944 -10.565 38 2HD ARG 5 1HD ARG 5 -10.556 10.375 -11.392 39 HE ARG 5 HE ARG 5 -13.099 11.695 -10.523 40 1HH1 ARG 5 1HH2 ARG 5 -13.260 8.724 -10.828 41 2HH1 ARG 5 2HH2 ARG 5 -13.741 8.553 -12.483 42 1HH2 ARG 5 1HH1 ARG 5 -12.871 11.796 -13.349 43 2HH2 ARG 5 2HH1 ARG 5 -13.518 10.290 -13.911 44 H THR 6 H THR 6 -11.521 10.197 -6.124 45 HA THR 6 HA THR 6 -11.520 7.353 -5.347 46 HB THR 6 HB THR 6 -13.925 8.837 -4.721 47 HG1 THR 6 HG1 THR 6 -12.885 10.719 -4.887 48 1HG2 THR 6 1HG2 THR 6 -12.166 8.598 -2.494 49 2HG2 THR 6 2HG2 THR 6 -11.972 7.151 -3.485 50 3HG2 THR 6 3HG2 THR 6 -13.568 7.601 -2.884 51 HA PRO 7 HA PRO 7 -14.262 5.962 -8.479 52 1HB PRO 7 2HB PRO 7 -15.751 4.113 -7.119 53 2HB PRO 7 1HB PRO 7 -14.053 3.849 -7.562 54 1HG PRO 7 2HG PRO 7 -15.224 4.641 -4.946 55 2HG PRO 7 1HG PRO 7 -13.860 3.568 -5.295 56 1HD PRO 7 2HD PRO 7 -13.590 6.156 -4.448 57 2HD PRO 7 1HD PRO 7 -12.367 5.292 -5.405 58 HA PRO 8 HA PRO 8 -17.884 8.443 -7.436 59 1HB PRO 8 2HB PRO 8 -18.095 9.588 -9.903 60 2HB PRO 8 1HB PRO 8 -16.949 10.155 -8.676 61 1HG PRO 8 2HG PRO 8 -16.441 8.718 -11.165 62 2HG PRO 8 1HG PRO 8 -15.331 9.651 -10.155 63 1HD PRO 8 2HD PRO 8 -15.659 6.792 -10.287 64 2HD PRO 8 1HD PRO 8 -14.486 7.727 -9.338 65 H ASN 9 H ASN 9 -19.752 8.888 -9.452 66 HA ASN 9 HA ASN 9 -21.605 7.892 -10.483 67 1HB ASN 9 2HB ASN 9 -20.998 6.550 -12.252 68 2HB ASN 9 1HB ASN 9 -19.417 7.199 -11.822 69 1HD2 ASN 9 1HD2 ASN 9 -21.540 4.368 -11.106 70 2HD2 ASN 9 2HD2 ASN 9 -20.257 3.275 -10.907 71 H CYS 10 H CYS 10 -23.022 5.975 -10.485 72 HA CYS 10 HA CYS 10 -23.160 4.783 -7.802 73 1HB CYS 10 2HB CYS 10 -25.154 5.659 -8.920 74 2HB CYS 10 1HB CYS 10 -24.841 4.681 -10.317 75 H ALA 11 H ALA 11 -22.724 2.585 -7.344 76 HA ALA 11 HA ALA 11 -21.342 1.094 -9.441 77 1HB ALA 11 1HB ALA 11 -20.481 1.188 -7.149 78 2HB ALA 11 2HB ALA 11 -20.864 -0.477 -7.589 79 3HB ALA 11 3HB ALA 11 -21.964 0.438 -6.559 80 H ARG 12 H ARG 12 -24.463 1.022 -7.910 81 HA ARG 12 HA ARG 12 -25.279 -1.649 -8.499 82 1HB ARG 12 2HB ARG 12 -26.417 0.105 -7.112 83 2HB ARG 12 1HB ARG 12 -26.823 0.959 -8.588 84 1HG ARG 12 2HG ARG 12 -28.588 -0.363 -8.937 85 2HG ARG 12 1HG ARG 12 -27.574 -1.804 -8.838 86 1HD ARG 12 2HD ARG 12 -28.237 -0.437 -6.263 87 2HD ARG 12 1HD ARG 12 -29.527 -1.365 -7.052 88 HE ARG 12 HE ARG 12 -27.264 -2.997 -7.209 89 1HH1 ARG 12 1HH2 ARG 12 -27.402 -1.222 -4.484 90 2HH1 ARG 12 2HH2 ARG 12 -27.816 -2.506 -3.398 91 1HH2 ARG 12 1HH1 ARG 12 -28.535 -4.768 -5.923 92 2HH2 ARG 12 2HH1 ARG 12 -28.455 -4.512 -4.212 93 H CYS 13 H CYS 13 -25.576 1.326 -10.391 94 HA CYS 13 HA CYS 13 -26.621 -0.174 -12.675 95 1HB CYS 13 2HB CYS 13 -26.737 2.119 -13.664 96 2HB CYS 13 1HB CYS 13 -27.450 2.041 -12.073 97 H ARG 14 H ARG 14 -23.333 0.852 -11.722 98 HA ARG 14 HA ARG 14 -22.307 0.877 -14.454 99 1HB ARG 14 2HB ARG 14 -20.099 0.468 -13.290 100 2HB ARG 14 1HB ARG 14 -20.997 1.853 -12.672 101 1HG ARG 14 2HG ARG 14 -20.199 0.621 -10.772 102 2HG ARG 14 1HG ARG 14 -21.922 0.346 -10.896 103 1HD ARG 14 2HD ARG 14 -21.612 -1.878 -11.031 104 2HD ARG 14 1HD ARG 14 -20.488 -1.675 -12.389 105 HE ARG 14 HE ARG 14 -19.066 -0.814 -10.140 106 1HH1 ARG 14 1HH2 ARG 14 -18.945 -3.392 -12.035 107 2HH1 ARG 14 2HH2 ARG 14 -18.670 -4.592 -10.817 108 1HH2 ARG 14 1HH1 ARG 14 -19.456 -2.474 -8.186 109 2HH2 ARG 14 2HH1 ARG 14 -18.961 -4.072 -8.635 110 H ASN 15 H ASN 15 -23.070 -1.609 -12.171 111 HA ASN 15 HA ASN 15 -21.561 -3.801 -12.847 112 1HB ASN 15 2HB ASN 15 -24.504 -3.409 -12.318 113 2HB ASN 15 1HB ASN 15 -23.795 -5.015 -12.410 114 1HD2 ASN 15 1HD2 ASN 15 -24.685 -2.773 -10.224 115 2HD2 ASN 15 2HD2 ASN 15 -23.494 -2.965 -9.038 116 H HIS 16 H HIS 16 -24.170 -2.344 -14.617 117 HA HIS 16 HA HIS 16 -23.962 -4.341 -16.804 118 1HB HIS 16 2HB HIS 16 -25.905 -2.131 -16.098 119 2HB HIS 16 1HB HIS 16 -26.128 -3.293 -17.387 120 HD1 HIS 16 HD1 HIS 16 -26.898 -5.636 -16.797 121 HD2 HIS 16 HD2 HIS 16 -25.847 -3.338 -13.483 122 HE1 HIS 16 HE1 HIS 16 -27.560 -6.989 -14.746 123 H GLY 17 H GLY 17 -22.944 -1.139 -16.018 124 1HA GLY 17 2HA GLY 17 -21.227 -0.230 -17.622 125 2HA GLY 17 1HA GLY 17 -22.345 -0.663 -18.916 126 H LEU 18 H LEU 18 -23.465 0.691 -15.902 127 HA LEU 18 HA LEU 18 -24.449 3.067 -17.406 128 1HB LEU 18 2HB LEU 18 -25.625 1.259 -15.710 129 2HB LEU 18 1HB LEU 18 -25.243 2.578 -14.605 130 HG LEU 18 HG LEU 18 -27.480 2.891 -15.553 131 1HD1 LEU 18 1HD1 LEU 18 -25.533 4.770 -15.371 132 2HD1 LEU 18 2HD1 LEU 18 -27.199 5.134 -15.823 133 3HD1 LEU 18 3HD1 LEU 18 -25.970 4.932 -17.071 134 1HD2 LEU 18 1HD2 LEU 18 -26.448 1.736 -17.812 135 2HD2 LEU 18 2HD2 LEU 18 -26.483 3.436 -18.282 136 3HD2 LEU 18 3HD2 LEU 18 -27.966 2.633 -17.765 137 H LYS 19 H LYS 19 -24.088 5.187 -16.516 138 HA LYS 19 HA LYS 19 -22.232 5.473 -14.228 139 1HB LYS 19 2HB LYS 19 -21.684 6.175 -17.115 140 2HB LYS 19 1HB LYS 19 -20.879 7.049 -15.812 141 1HG LYS 19 2HG LYS 19 -20.830 4.037 -16.183 142 2HG LYS 19 1HG LYS 19 -19.514 5.135 -16.602 143 1HD LYS 19 2HD LYS 19 -20.241 5.761 -13.940 144 2HD LYS 19 1HD LYS 19 -20.167 4.000 -14.029 145 1HE LYS 19 2HE LYS 19 -17.916 4.329 -13.720 146 2HE LYS 19 1HE LYS 19 -17.922 4.710 -15.453 147 1HZ LYS 19 1HZ LYS 19 -18.653 6.770 -13.476 148 2HZ LYS 19 2HZ LYS 19 -18.053 6.967 -15.053 149 3HZ LYS 19 3HZ LYS 19 -17.018 6.462 -13.804 150 H ILE 20 H ILE 20 -24.078 6.457 -13.266 151 HA ILE 20 HA ILE 20 -25.191 8.887 -14.550 152 HB ILE 20 HB ILE 20 -27.084 8.321 -13.398 153 1HG1 ILE 20 2HG1 ILE 20 -25.784 8.885 -11.210 154 2HG1 ILE 20 1HG1 ILE 20 -27.296 8.027 -11.174 155 1HG2 ILE 20 1HG2 ILE 20 -25.689 5.728 -12.865 156 2HG2 ILE 20 2HG2 ILE 20 -26.279 6.215 -14.450 157 3HG2 ILE 20 3HG2 ILE 20 -27.413 5.997 -13.121 158 1HD1 ILE 20 1HD1 ILE 20 -26.157 5.897 -11.072 159 2HD1 ILE 20 2HD1 ILE 20 -25.601 6.956 -9.786 160 3HD1 ILE 20 3HD1 ILE 20 -24.599 6.711 -11.205 161 H THR 21 H THR 21 -22.689 8.176 -12.452 162 HA THR 21 HA THR 21 -21.295 9.691 -11.226 163 HB THR 21 HB THR 21 -23.516 11.717 -11.363 164 HG1 THR 21 HG1 THR 21 -21.629 11.201 -13.412 165 1HG2 THR 21 1HG2 THR 21 -21.053 11.823 -10.254 166 2HG2 THR 21 2HG2 THR 21 -21.861 13.235 -10.936 167 3HG2 THR 21 3HG2 THR 21 -20.668 12.355 -11.891 168 H LEU 22 H LEU 22 -24.202 8.424 -10.452 169 HA LEU 22 HA LEU 22 -25.429 8.040 -8.464 170 1HB LEU 22 2HB LEU 22 -23.327 6.898 -8.023 171 2HB LEU 22 1HB LEU 22 -22.587 8.404 -7.480 172 HG LEU 22 HG LEU 22 -25.085 7.884 -6.084 173 1HD1 LEU 22 1HD1 LEU 22 -24.201 5.963 -4.748 174 2HD1 LEU 22 2HD1 LEU 22 -22.875 5.814 -5.900 175 3HD1 LEU 22 3HD1 LEU 22 -24.535 5.533 -6.425 176 1HD2 LEU 22 1HD2 LEU 22 -23.924 8.959 -4.466 177 2HD2 LEU 22 2HD2 LEU 22 -22.641 9.158 -5.660 178 3HD2 LEU 22 3HD2 LEU 22 -22.604 7.793 -4.545 179 H LYS 23 H LYS 23 -24.887 10.963 -9.344 180 HA LYS 23 HA LYS 23 -24.852 12.449 -6.819 181 1HB LYS 23 2HB LYS 23 -24.533 12.911 -9.615 182 2HB LYS 23 1HB LYS 23 -25.874 13.923 -9.075 183 1HG LYS 23 2HG LYS 23 -23.827 15.183 -8.796 184 2HG LYS 23 1HG LYS 23 -24.413 14.732 -7.194 185 1HD LYS 23 2HD LYS 23 -22.881 12.719 -7.304 186 2HD LYS 23 1HD LYS 23 -22.188 13.412 -8.770 187 1HE LYS 23 2HE LYS 23 -22.015 15.579 -7.171 188 2HE LYS 23 1HE LYS 23 -21.892 14.302 -5.943 189 1HZ LYS 23 1HZ LYS 23 -20.168 13.242 -7.205 190 2HZ LYS 23 2HZ LYS 23 -19.727 14.864 -6.960 191 3HZ LYS 23 3HZ LYS 23 -20.327 14.363 -8.468 192 H GLY 24 H GLY 24 -26.705 12.244 -5.516 193 1HA GLY 24 2HA GLY 24 -29.001 12.013 -4.975 194 2HA GLY 24 1HA GLY 24 -29.248 13.206 -6.262 195 H HIS 25 H HIS 25 -28.163 9.826 -6.133 196 HA HIS 25 HA HIS 25 -29.962 9.223 -8.452 197 1HB HIS 25 2HB HIS 25 -27.570 9.219 -8.864 198 2HB HIS 25 1HB HIS 25 -27.302 8.151 -7.493 199 HD1 HIS 25 HD1 HIS 25 -29.483 8.027 -10.638 200 HD2 HIS 25 HD2 HIS 25 -26.924 5.607 -8.425 201 HE1 HIS 25 HE1 HIS 25 -29.131 5.899 -11.960 202 H LYS 26 H LYS 26 -28.339 6.596 -6.959 203 HA LYS 26 HA LYS 26 -29.214 4.644 -6.005 204 1HB LYS 26 2HB LYS 26 -28.935 6.232 -4.107 205 2HB LYS 26 1HB LYS 26 -30.589 6.792 -4.344 206 1HG LYS 26 2HG LYS 26 -30.655 3.942 -4.209 207 2HG LYS 26 1HG LYS 26 -29.682 4.519 -2.856 208 1HD LYS 26 2HD LYS 26 -32.432 5.592 -3.547 209 2HD LYS 26 1HD LYS 26 -32.127 4.363 -2.321 210 1HE LYS 26 2HE LYS 26 -30.379 6.687 -1.987 211 2HE LYS 26 1HE LYS 26 -32.099 7.110 -1.877 212 1HZ LYS 26 1HZ LYS 26 -31.020 4.702 -0.545 213 2HZ LYS 26 2HZ LYS 26 -32.468 5.533 -0.223 214 3HZ LYS 26 3HZ LYS 26 -30.976 6.215 0.221 215 H ARG 27 H ARG 27 -32.156 6.409 -5.182 216 HA ARG 27 HA ARG 27 -33.962 4.509 -6.197 217 1HB ARG 27 2HB ARG 27 -34.777 6.192 -4.752 218 2HB ARG 27 1HB ARG 27 -34.033 7.483 -5.692 219 1HG ARG 27 2HG ARG 27 -35.625 7.149 -7.504 220 2HG ARG 27 1HG ARG 27 -36.320 5.753 -6.679 221 1HD ARG 27 2HD ARG 27 -36.630 7.532 -4.703 222 2HD ARG 27 1HD ARG 27 -36.651 8.662 -6.072 223 HE ARG 27 HE ARG 27 -38.302 6.268 -6.464 224 1HH1 ARG 27 1HH2 ARG 27 -39.232 7.874 -4.017 225 2HH1 ARG 27 2HH2 ARG 27 -40.419 8.906 -4.741 226 1HH2 ARG 27 1HH1 ARG 27 -39.346 8.310 -7.983 227 2HH2 ARG 27 2HH1 ARG 27 -40.484 9.153 -6.987 228 H TYR 28 H TYR 28 -32.130 6.970 -7.852 229 HA TYR 28 HA TYR 28 -33.693 6.763 -10.352 230 1HB TYR 28 2HB TYR 28 -31.159 8.222 -9.521 231 2HB TYR 28 1HB TYR 28 -31.983 8.447 -11.069 232 HD1 TYR 28 HD1 TYR 28 -31.618 9.887 -7.955 233 HD2 TYR 28 HD2 TYR 28 -34.712 8.691 -10.681 234 HE1 TYR 28 HE1 TYR 28 -33.165 11.520 -6.912 235 HE2 TYR 28 HE2 TYR 28 -36.262 10.322 -9.636 236 HH TYR 28 HH TYR 28 -36.514 11.495 -7.477 237 H CYS 29 H CYS 29 -32.028 4.459 -9.124 238 HA CYS 29 HA CYS 29 -29.933 4.085 -11.193 239 1HB CYS 29 2HB CYS 29 -29.693 3.627 -8.681 240 2HB CYS 29 1HB CYS 29 -30.749 2.245 -8.934 241 H LYS 30 H LYS 30 -30.656 3.187 -13.125 242 HA LYS 30 HA LYS 30 -33.057 1.756 -13.553 243 1HB LYS 30 2HB LYS 30 -31.116 2.661 -15.119 244 2HB LYS 30 1HB LYS 30 -30.488 1.023 -14.943 245 1HG LYS 30 2HG LYS 30 -32.954 0.321 -15.537 246 2HG LYS 30 1HG LYS 30 -33.041 1.942 -16.229 247 1HD LYS 30 2HD LYS 30 -30.744 1.258 -17.339 248 2HD LYS 30 1HD LYS 30 -31.330 -0.381 -17.052 249 1HE LYS 30 2HE LYS 30 -33.091 -0.161 -18.552 250 2HE LYS 30 1HE LYS 30 -33.204 1.595 -18.317 251 1HZ LYS 30 1HZ LYS 30 -32.063 0.659 -20.442 252 2HZ LYS 30 2HZ LYS 30 -30.731 0.438 -19.409 253 3HZ LYS 30 3HZ LYS 30 -31.386 1.989 -19.639 254 H PHE 31 H PHE 31 -30.095 0.873 -12.034 255 HA PHE 31 HA PHE 31 -30.809 -2.020 -11.878 256 1HB PHE 31 2HB PHE 31 -28.276 -0.424 -11.311 257 2HB PHE 31 1HB PHE 31 -28.357 -2.189 -11.344 258 HD1 PHE 31 HD1 PHE 31 -28.595 0.898 -13.357 259 HD2 PHE 31 HD2 PHE 31 -28.600 -3.393 -13.434 260 HE1 PHE 31 HE1 PHE 31 -28.354 0.947 -15.817 261 HE2 PHE 31 HE2 PHE 31 -28.370 -3.349 -15.897 262 HZ PHE 31 HZ PHE 31 -28.243 -1.179 -17.097 263 H ARG 32 H ARG 32 -31.754 0.530 -10.265 264 HA ARG 32 HA ARG 32 -30.828 0.489 -7.621 265 1HB ARG 32 2HB ARG 32 -32.814 1.689 -7.138 266 2HB ARG 32 1HB ARG 32 -32.531 2.012 -8.843 267 1HG ARG 32 2HG ARG 32 -34.278 -0.287 -7.983 268 2HG ARG 32 1HG ARG 32 -34.923 1.342 -8.109 269 1HD ARG 32 2HD ARG 32 -34.226 1.461 -10.467 270 2HD ARG 32 1HD ARG 32 -33.545 -0.175 -10.354 271 HE ARG 32 HE ARG 32 -36.340 0.046 -9.482 272 1HH1 ARG 32 1HH2 ARG 32 -34.468 0.064 -12.332 273 2HH1 ARG 32 2HH2 ARG 32 -35.434 -1.117 -13.151 274 1HH2 ARG 32 1HH1 ARG 32 -37.453 -1.756 -10.405 275 2HH2 ARG 32 2HH1 ARG 32 -37.127 -2.146 -12.061 276 H TYR 33 H TYR 33 -32.960 -1.753 -9.253 277 HA TYR 33 HA TYR 33 -33.179 -3.319 -6.699 278 1HB TYR 33 2HB TYR 33 -35.130 -2.945 -8.989 279 2HB TYR 33 1HB TYR 33 -35.375 -4.087 -7.669 280 HD1 TYR 33 HD1 TYR 33 -37.032 -1.536 -8.509 281 HD2 TYR 33 HD2 TYR 33 -34.071 -2.302 -5.490 282 HE1 TYR 33 HE1 TYR 33 -37.971 0.288 -7.119 283 HE2 TYR 33 HE2 TYR 33 -35.010 -0.478 -4.105 284 HH TYR 33 HH TYR 33 -37.804 0.675 -4.235 285 H CYS 34 H CYS 34 -31.707 -3.338 -9.684 286 HA CYS 34 HA CYS 34 -32.135 -5.815 -10.884 287 1HB CYS 34 2HB CYS 34 -30.468 -4.047 -11.559 288 2HB CYS 34 1HB CYS 34 -29.455 -4.567 -10.210 289 H THR 35 H THR 35 -30.702 -7.841 -10.593 290 HA THR 35 HA THR 35 -29.979 -8.318 -7.733 291 HB THR 35 HB THR 35 -31.226 -10.540 -8.029 292 HG1 THR 35 HG1 THR 35 -32.416 -9.108 -10.162 293 1HG2 THR 35 1HG2 THR 35 -33.188 -9.603 -7.205 294 2HG2 THR 35 2HG2 THR 35 -33.132 -8.246 -8.330 295 3HG2 THR 35 3HG2 THR 35 -32.046 -8.284 -6.942 296 H CYS 36 H CYS 36 -28.932 -8.393 -10.873 297 HA CYS 36 HA CYS 36 -27.785 -10.892 -11.361 298 1HB CYS 36 2HB CYS 36 -26.221 -9.684 -12.724 299 2HB CYS 36 1HB CYS 36 -27.722 -8.759 -12.742 300 H GLU 37 H GLU 37 -25.268 -11.344 -11.025 301 HA GLU 37 HA GLU 37 -24.798 -11.320 -8.134 302 1HB GLU 37 2HB GLU 37 -24.328 -13.237 -9.643 303 2HB GLU 37 1HB GLU 37 -23.101 -12.271 -10.464 304 1HG GLU 37 2HG GLU 37 -21.597 -12.888 -8.911 305 2HG GLU 37 1HG GLU 37 -22.577 -12.108 -7.670 306 H LYS 38 H LYS 38 -24.231 -8.995 -10.442 307 HA LYS 38 HA LYS 38 -21.639 -8.087 -9.253 308 1HB LYS 38 2HB LYS 38 -22.649 -8.231 -11.851 309 2HB LYS 38 1HB LYS 38 -22.835 -6.527 -11.434 310 1HG LYS 38 2HG LYS 38 -20.615 -6.168 -11.574 311 2HG LYS 38 1HG LYS 38 -20.266 -7.555 -10.542 312 1HD LYS 38 2HD LYS 38 -19.291 -7.828 -12.808 313 2HD LYS 38 1HD LYS 38 -20.495 -9.069 -12.459 314 1HE LYS 38 2HE LYS 38 -21.110 -8.351 -14.623 315 2HE LYS 38 1HE LYS 38 -22.169 -7.374 -13.587 316 1HZ LYS 38 1HZ LYS 38 -19.462 -6.394 -14.147 317 2HZ LYS 38 2HZ LYS 38 -20.886 -5.518 -13.844 318 3HZ LYS 38 3HZ LYS 38 -20.633 -6.235 -15.364 319 H CYS 39 H CYS 39 -25.012 -7.572 -9.240 320 HA CYS 39 HA CYS 39 -24.876 -4.786 -8.258 321 1HB CYS 39 2HB CYS 39 -26.845 -6.746 -9.285 322 2HB CYS 39 1HB CYS 39 -27.451 -5.710 -8.009 323 H ARG 40 H ARG 40 -25.632 -8.098 -7.215 324 HA ARG 40 HA ARG 40 -26.224 -7.379 -4.455 325 1HB ARG 40 2HB ARG 40 -26.058 -9.746 -6.201 326 2HB ARG 40 1HB ARG 40 -25.552 -10.064 -4.542 327 1HG ARG 40 2HG ARG 40 -27.654 -9.170 -3.685 328 2HG ARG 40 1HG ARG 40 -28.158 -8.720 -5.314 329 1HD ARG 40 2HD ARG 40 -28.865 -10.829 -5.774 330 2HD ARG 40 1HD ARG 40 -27.379 -11.543 -5.119 331 HE ARG 40 HE ARG 40 -28.636 -10.684 -2.848 332 1HH1 ARG 40 1HH2 ARG 40 -31.235 -10.825 -4.338 333 2HH1 ARG 40 2HH2 ARG 40 -31.744 -12.451 -4.027 334 1HH2 ARG 40 1HH1 ARG 40 -28.616 -13.509 -2.970 335 2HH2 ARG 40 2HH1 ARG 40 -30.262 -13.970 -3.250 336 H LEU 41 H LEU 41 -23.460 -8.412 -6.345 337 HA LEU 41 HA LEU 41 -21.625 -8.883 -4.172 338 1HB LEU 41 2HB LEU 41 -20.968 -9.803 -6.214 339 2HB LEU 41 1HB LEU 41 -21.558 -8.419 -7.131 340 HG LEU 41 HG LEU 41 -19.661 -7.104 -6.566 341 1HD1 LEU 41 1HD1 LEU 41 -18.053 -8.832 -4.972 342 2HD1 LEU 41 2HD1 LEU 41 -19.647 -8.767 -4.222 343 3HD1 LEU 41 3HD1 LEU 41 -18.747 -7.277 -4.511 344 1HD2 LEU 41 1HD2 LEU 41 -17.768 -9.044 -6.911 345 2HD2 LEU 41 2HD2 LEU 41 -18.731 -8.365 -8.223 346 3HD2 LEU 41 3HD2 LEU 41 -19.213 -9.885 -7.470 347 H THR 42 H THR 42 -22.691 -6.078 -5.966 348 HA THR 42 HA THR 42 -20.678 -4.216 -5.074 349 HB THR 42 HB THR 42 -23.511 -3.991 -6.099 350 HG1 THR 42 HG1 THR 42 -21.354 -4.596 -7.292 351 1HG2 THR 42 1HG2 THR 42 -23.397 -1.931 -5.091 352 2HG2 THR 42 2HG2 THR 42 -22.509 -1.543 -6.565 353 3HG2 THR 42 3HG2 THR 42 -21.632 -1.919 -5.082 354 H ALA 43 H ALA 43 -24.112 -4.300 -4.187 355 HA ALA 43 HA ALA 43 -24.122 -2.726 -1.907 356 1HB ALA 43 1HB ALA 43 -26.224 -3.538 -2.349 357 2HB ALA 43 2HB ALA 43 -25.777 -4.794 -1.194 358 3HB ALA 43 3HB ALA 43 -25.602 -5.084 -2.925 359 H ASP 44 H ASP 44 -22.918 -6.003 -2.293 360 HA ASP 44 HA ASP 44 -22.450 -6.610 0.488 361 1HB ASP 44 2HB ASP 44 -22.587 -8.172 -1.507 362 2HB ASP 44 1HB ASP 44 -21.003 -7.575 -2.001 363 H ARG 45 H ARG 45 -20.452 -5.249 -2.125 364 HA ARG 45 HA ARG 45 -17.987 -5.025 -0.721 365 1HB ARG 45 2HB ARG 45 -18.928 -4.554 -3.227 366 2HB ARG 45 1HB ARG 45 -18.784 -2.898 -2.639 367 1HG ARG 45 2HG ARG 45 -16.619 -3.121 -3.329 368 2HG ARG 45 1HG ARG 45 -16.421 -3.925 -1.772 369 1HD ARG 45 2HD ARG 45 -17.449 -5.772 -3.780 370 2HD ARG 45 1HD ARG 45 -15.899 -5.063 -4.274 371 HE ARG 45 HE ARG 45 -16.355 -6.670 -1.824 372 1HH1 ARG 45 1HH2 ARG 45 -14.450 -4.107 -2.940 373 2HH1 ARG 45 2HH2 ARG 45 -12.934 -4.844 -2.540 374 1HH2 ARG 45 1HH1 ARG 45 -14.345 -7.887 -1.657 375 2HH2 ARG 45 2HH1 ARG 45 -12.875 -6.985 -1.813 376 H GLN 46 H GLN 46 -20.946 -3.201 -0.452 377 HA GLN 46 HA GLN 46 -19.557 -1.038 1.070 378 1HB GLN 46 2HB GLN 46 -21.130 -0.593 -0.876 379 2HB GLN 46 1HB GLN 46 -22.435 -1.214 0.137 380 1HG GLN 46 2HG GLN 46 -22.163 0.528 1.736 381 2HG GLN 46 1HG GLN 46 -20.606 1.007 1.059 382 1HE2 GLN 46 1HE2 GLN 46 -22.121 3.150 1.136 383 2HE2 GLN 46 2HE2 GLN 46 -22.903 3.492 -0.331 384 H ARG 47 H ARG 47 -21.807 -3.713 1.422 385 HA ARG 47 HA ARG 47 -22.603 -2.870 4.149 386 1HB ARG 47 2HB ARG 47 -23.711 -4.359 2.043 387 2HB ARG 47 1HB ARG 47 -23.365 -5.547 3.299 388 1HG ARG 47 2HG ARG 47 -25.067 -4.800 4.572 389 2HG ARG 47 1HG ARG 47 -24.499 -3.134 4.444 390 1HD ARG 47 2HD ARG 47 -25.770 -2.716 2.503 391 2HD ARG 47 1HD ARG 47 -25.941 -4.444 2.134 392 HE ARG 47 HE ARG 47 -27.304 -4.547 4.318 393 1HH1 ARG 47 1HH2 ARG 47 -26.627 -1.380 4.135 394 2HH1 ARG 47 2HH2 ARG 47 -28.249 -0.809 3.919 395 1HH2 ARG 47 1HH1 ARG 47 -29.555 -3.956 3.283 396 2HH2 ARG 47 2HH1 ARG 47 -29.904 -2.266 3.433 397 H VAL 48 H VAL 48 -19.949 -3.137 4.324 398 HA VAL 48 HA VAL 48 -19.597 -5.587 5.938 399 HB VAL 48 HB VAL 48 -17.483 -6.083 4.570 400 1HG1 VAL 48 1HG1 VAL 48 -18.689 -7.426 3.016 401 2HG1 VAL 48 2HG1 VAL 48 -20.040 -6.294 2.970 402 3HG1 VAL 48 3HG1 VAL 48 -19.755 -7.269 4.412 403 1HG2 VAL 48 1HG2 VAL 48 -16.951 -4.728 2.848 404 2HG2 VAL 48 2HG2 VAL 48 -18.256 -3.655 3.356 405 3HG2 VAL 48 3HG2 VAL 48 -18.564 -4.909 2.155 406 H MET 49 H MET 49 -19.662 -3.025 6.909 407 HA MET 49 HA MET 49 -16.776 -2.411 7.455 408 1HB MET 49 2HB MET 49 -19.175 -0.689 6.878 409 2HB MET 49 1HB MET 49 -17.828 -0.037 7.812 410 1HG MET 49 2HG MET 49 -16.417 -1.114 5.812 411 2HG MET 49 1HG MET 49 -17.928 -0.849 4.942 412 1HE MET 49 1HE MET 49 -18.977 1.994 4.650 413 2HE MET 49 2HE MET 49 -18.266 0.681 3.717 414 3HE MET 49 3HE MET 49 -17.589 2.302 3.598 415 H ALA 50 H ALA 50 -19.517 -0.843 8.939 416 HA ALA 50 HA ALA 50 -18.599 -1.597 11.615 417 1HB ALA 50 1HB ALA 50 -20.152 0.419 10.345 418 2HB ALA 50 2HB ALA 50 -19.679 0.342 12.043 419 3HB ALA 50 3HB ALA 50 -21.205 -0.369 11.519 420 H LEU 51 H LEU 51 -20.992 -2.695 9.320 421 HA LEU 51 HA LEU 51 -22.261 -4.438 11.396 422 1HB LEU 51 2HB LEU 51 -23.104 -2.970 9.005 423 2HB LEU 51 1HB LEU 51 -23.682 -4.636 9.014 424 HG LEU 51 HG LEU 51 -25.239 -3.013 10.145 425 1HD1 LEU 51 1HD1 LEU 51 -23.985 -5.337 11.593 426 2HD1 LEU 51 2HD1 LEU 51 -25.558 -5.245 10.801 427 3HD1 LEU 51 3HD1 LEU 51 -25.296 -4.423 12.340 428 1HD2 LEU 51 1HD2 LEU 51 -24.550 -1.683 11.860 429 2HD2 LEU 51 2HD2 LEU 51 -22.932 -1.984 11.227 430 3HD2 LEU 51 3HD2 LEU 51 -23.549 -2.952 12.564 431 H GLN 52 H GLN 52 -19.883 -5.499 10.899 432 HA GLN 52 HA GLN 52 -20.402 -7.669 8.896 433 1HB GLN 52 2HB GLN 52 -18.816 -5.916 8.086 434 2HB GLN 52 1HB GLN 52 -17.781 -6.251 9.475 435 1HG GLN 52 2HG GLN 52 -18.478 -8.711 8.114 436 2HG GLN 52 1HG GLN 52 -17.741 -7.569 6.991 437 1HE2 GLN 52 1HE2 GLN 52 -15.741 -6.341 8.187 438 2HE2 GLN 52 2HE2 GLN 52 -14.666 -7.392 8.974 Start of MODEL 16 1 1H SER 1 1H SER 1 -28.686 21.204 -15.082 2 2H SER 1 2H SER 1 -29.254 20.960 -13.499 3 3H SER 1 3H SER 1 -28.278 19.786 -14.247 4 HA SER 1 HA SER 1 -27.129 22.459 -14.035 5 1HB SER 1 2HB SER 1 -27.079 20.707 -11.613 6 2HB SER 1 1HB SER 1 -26.984 22.462 -11.723 7 HG SER 1 HG SER 1 -29.145 20.846 -11.418 8 H ILE 2 H ILE 2 -24.940 21.548 -12.498 9 HA ILE 2 HA ILE 2 -23.898 19.003 -13.383 10 HB ILE 2 HB ILE 2 -24.070 20.327 -15.522 11 1HG1 ILE 2 2HG1 ILE 2 -21.176 19.858 -14.776 12 2HG1 ILE 2 1HG1 ILE 2 -22.303 18.522 -15.015 13 1HG2 ILE 2 1HG2 ILE 2 -23.285 22.444 -14.057 14 2HG2 ILE 2 2HG2 ILE 2 -23.023 22.354 -15.799 15 3HG2 ILE 2 3HG2 ILE 2 -21.715 21.948 -14.688 16 1HD1 ILE 2 1HD1 ILE 2 -21.319 20.541 -17.019 17 2HD1 ILE 2 2HD1 ILE 2 -22.857 19.718 -17.271 18 3HD1 ILE 2 3HD1 ILE 2 -21.366 18.784 -17.151 19 H SER 3 H SER 3 -21.527 18.829 -12.818 20 HA SER 3 HA SER 3 -20.388 21.026 -11.203 21 1HB SER 3 2HB SER 3 -21.877 18.763 -10.127 22 2HB SER 3 1HB SER 3 -20.242 18.828 -9.479 23 HG SER 3 HG SER 3 -20.651 20.761 -8.610 24 HA PRO 4 HA PRO 4 -17.045 18.769 -13.200 25 1HB PRO 4 2HB PRO 4 -15.197 20.768 -12.907 26 2HB PRO 4 1HB PRO 4 -16.424 20.771 -14.189 27 1HG PRO 4 2HG PRO 4 -16.383 22.254 -11.610 28 2HG PRO 4 1HG PRO 4 -16.943 22.779 -13.206 29 1HD PRO 4 2HD PRO 4 -18.616 21.977 -11.202 30 2HD PRO 4 1HD PRO 4 -19.011 21.845 -12.930 31 H ARG 5 H ARG 5 -17.501 17.696 -10.822 32 HA ARG 5 HA ARG 5 -15.086 18.231 -9.122 33 1HB ARG 5 2HB ARG 5 -17.819 17.063 -8.496 34 2HB ARG 5 1HB ARG 5 -16.515 17.242 -7.321 35 1HG ARG 5 2HG ARG 5 -16.552 19.629 -7.505 36 2HG ARG 5 1HG ARG 5 -17.602 19.568 -8.921 37 1HD ARG 5 2HD ARG 5 -19.135 20.062 -7.207 38 2HD ARG 5 1HD ARG 5 -19.238 18.292 -7.271 39 HE ARG 5 HE ARG 5 -17.084 19.046 -5.539 40 1HH1 ARG 5 1HH2 ARG 5 -19.662 20.781 -4.970 41 2HH1 ARG 5 2HH2 ARG 5 -20.292 19.902 -3.617 42 1HH2 ARG 5 1HH1 ARG 5 -18.259 17.138 -4.130 43 2HH2 ARG 5 2HH1 ARG 5 -19.497 17.839 -3.141 44 H THR 6 H THR 6 -15.394 15.779 -7.634 45 HA THR 6 HA THR 6 -14.698 13.740 -9.727 46 HB THR 6 HB THR 6 -12.900 13.053 -8.285 47 HG1 THR 6 HG1 THR 6 -14.466 14.289 -6.414 48 1HG2 THR 6 1HG2 THR 6 -11.542 14.952 -8.402 49 2HG2 THR 6 2HG2 THR 6 -12.857 16.039 -7.955 50 3HG2 THR 6 3HG2 THR 6 -12.810 15.327 -9.568 51 HA PRO 7 HA PRO 7 -17.992 12.397 -6.588 52 1HB PRO 7 2HB PRO 7 -20.130 12.381 -8.307 53 2HB PRO 7 1HB PRO 7 -19.682 13.792 -7.327 54 1HG PRO 7 2HG PRO 7 -19.120 13.229 -10.200 55 2HG PRO 7 1HG PRO 7 -19.587 14.749 -9.418 56 1HD PRO 7 2HD PRO 7 -17.028 14.186 -10.141 57 2HD PRO 7 1HD PRO 7 -17.435 15.223 -8.755 58 HA PRO 8 HA PRO 8 -17.338 8.376 -8.327 59 1HB PRO 8 2HB PRO 8 -18.654 6.949 -6.403 60 2HB PRO 8 1HB PRO 8 -17.053 7.668 -6.141 61 1HG PRO 8 2HG PRO 8 -19.717 8.602 -5.231 62 2HG PRO 8 1HG PRO 8 -18.145 8.712 -4.429 63 1HD PRO 8 2HD PRO 8 -19.387 10.791 -5.752 64 2HD PRO 8 1HD PRO 8 -17.643 10.693 -5.425 65 H ASN 9 H ASN 9 -18.628 6.699 -9.368 66 HA ASN 9 HA ASN 9 -21.353 7.619 -10.126 67 1HB ASN 9 2HB ASN 9 -21.052 6.073 -11.951 68 2HB ASN 9 1HB ASN 9 -19.543 6.967 -11.759 69 1HD2 ASN 9 1HD2 ASN 9 -21.102 3.847 -10.901 70 2HD2 ASN 9 2HD2 ASN 9 -19.649 2.985 -10.751 71 H CYS 10 H CYS 10 -23.114 6.057 -10.162 72 HA CYS 10 HA CYS 10 -23.429 4.598 -7.701 73 1HB CYS 10 2HB CYS 10 -25.312 5.567 -8.951 74 2HB CYS 10 1HB CYS 10 -24.923 4.598 -10.340 75 H ALA 11 H ALA 11 -23.028 2.414 -7.286 76 HA ALA 11 HA ALA 11 -21.613 0.874 -9.349 77 1HB ALA 11 1HB ALA 11 -21.086 -0.583 -7.559 78 2HB ALA 11 2HB ALA 11 -22.484 -0.058 -6.622 79 3HB ALA 11 3HB ALA 11 -21.107 1.024 -6.833 80 H ARG 12 H ARG 12 -24.779 0.799 -7.739 81 HA ARG 12 HA ARG 12 -25.698 -1.742 -8.484 82 1HB ARG 12 2HB ARG 12 -26.829 0.132 -7.193 83 2HB ARG 12 1HB ARG 12 -27.176 0.900 -8.737 84 1HG ARG 12 2HG ARG 12 -29.003 -0.352 -8.907 85 2HG ARG 12 1HG ARG 12 -27.980 -1.783 -9.008 86 1HD ARG 12 2HD ARG 12 -29.075 -0.530 -6.459 87 2HD ARG 12 1HD ARG 12 -29.529 -2.104 -7.143 88 HE ARG 12 HE ARG 12 -26.651 -1.737 -6.643 89 1HH1 ARG 12 1HH2 ARG 12 -28.598 -4.226 -6.738 90 2HH1 ARG 12 2HH2 ARG 12 -28.429 -4.771 -5.103 91 1HH2 ARG 12 1HH1 ARG 12 -26.908 -1.854 -4.007 92 2HH2 ARG 12 2HH1 ARG 12 -27.471 -3.429 -3.558 93 H CYS 13 H CYS 13 -25.765 1.222 -10.393 94 HA CYS 13 HA CYS 13 -26.602 -0.298 -12.782 95 1HB CYS 13 2HB CYS 13 -26.822 1.983 -13.718 96 2HB CYS 13 1HB CYS 13 -27.530 1.910 -12.124 97 H ARG 14 H ARG 14 -23.604 0.517 -11.333 98 HA ARG 14 HA ARG 14 -22.000 0.877 -13.738 99 1HB ARG 14 2HB ARG 14 -20.528 1.417 -12.111 100 2HB ARG 14 1HB ARG 14 -21.784 1.038 -10.950 101 1HG ARG 14 2HG ARG 14 -19.834 -1.016 -12.048 102 2HG ARG 14 1HG ARG 14 -19.600 -0.168 -10.528 103 1HD ARG 14 2HD ARG 14 -21.386 -1.292 -9.491 104 2HD ARG 14 1HD ARG 14 -22.106 -1.757 -11.034 105 HE ARG 14 HE ARG 14 -20.718 -3.651 -10.942 106 1HH1 ARG 14 1HH2 ARG 14 -19.730 -2.145 -8.252 107 2HH1 ARG 14 2HH2 ARG 14 -18.032 -2.443 -8.428 108 1HH2 ARG 14 1HH1 ARG 14 -18.294 -3.523 -11.713 109 2HH2 ARG 14 2HH1 ARG 14 -17.218 -3.223 -10.389 110 H ASN 15 H ASN 15 -23.524 -1.805 -12.340 111 HA ASN 15 HA ASN 15 -21.587 -3.855 -12.938 112 1HB ASN 15 2HB ASN 15 -24.521 -3.677 -12.279 113 2HB ASN 15 1HB ASN 15 -23.710 -5.223 -12.463 114 1HD2 ASN 15 1HD2 ASN 15 -24.441 -2.778 -10.290 115 2HD2 ASN 15 2HD2 ASN 15 -23.226 -3.021 -9.139 116 H HIS 16 H HIS 16 -24.373 -2.498 -14.562 117 HA HIS 16 HA HIS 16 -24.153 -4.405 -16.804 118 1HB HIS 16 2HB HIS 16 -26.051 -2.145 -16.118 119 2HB HIS 16 1HB HIS 16 -26.300 -3.346 -17.366 120 HD1 HIS 16 HD1 HIS 16 -27.344 -5.527 -16.694 121 HD2 HIS 16 HD2 HIS 16 -25.783 -3.405 -13.469 122 HE1 HIS 16 HE1 HIS 16 -27.957 -6.846 -14.601 123 H GLY 17 H GLY 17 -22.965 -1.297 -15.965 124 1HA GLY 17 2HA GLY 17 -21.245 -0.411 -17.562 125 2HA GLY 17 1HA GLY 17 -22.386 -0.771 -18.859 126 H LEU 18 H LEU 18 -23.585 0.499 -15.876 127 HA LEU 18 HA LEU 18 -24.442 2.957 -17.295 128 1HB LEU 18 2HB LEU 18 -25.642 1.168 -15.609 129 2HB LEU 18 1HB LEU 18 -25.182 2.441 -14.480 130 HG LEU 18 HG LEU 18 -27.428 2.858 -15.364 131 1HD1 LEU 18 1HD1 LEU 18 -27.083 5.101 -15.615 132 2HD1 LEU 18 2HD1 LEU 18 -25.840 4.877 -16.846 133 3HD1 LEU 18 3HD1 LEU 18 -25.442 4.665 -15.140 134 1HD2 LEU 18 1HD2 LEU 18 -27.951 2.486 -17.527 135 2HD2 LEU 18 2HD2 LEU 18 -26.324 1.837 -17.734 136 3HD2 LEU 18 3HD2 LEU 18 -26.645 3.537 -18.077 137 H LYS 19 H LYS 19 -23.997 5.058 -16.377 138 HA LYS 19 HA LYS 19 -22.084 5.284 -14.140 139 1HB LYS 19 2HB LYS 19 -21.108 4.973 -16.665 140 2HB LYS 19 1HB LYS 19 -21.307 6.726 -16.620 141 1HG LYS 19 2HG LYS 19 -19.074 6.173 -15.820 142 2HG LYS 19 1HG LYS 19 -20.034 6.766 -14.464 143 1HD LYS 19 2HD LYS 19 -19.394 4.871 -13.403 144 2HD LYS 19 1HD LYS 19 -20.570 4.055 -14.433 145 1HE LYS 19 2HE LYS 19 -18.925 3.299 -15.931 146 2HE LYS 19 1HE LYS 19 -17.769 4.552 -15.438 147 1HZ LYS 19 1HZ LYS 19 -17.100 2.571 -14.356 148 2HZ LYS 19 2HZ LYS 19 -18.686 2.210 -13.863 149 3HZ LYS 19 3HZ LYS 19 -17.854 3.519 -13.168 150 H ILE 20 H ILE 20 -23.764 6.447 -13.143 151 HA ILE 20 HA ILE 20 -24.719 8.936 -14.478 152 HB ILE 20 HB ILE 20 -26.712 8.462 -13.452 153 1HG1 ILE 20 2HG1 ILE 20 -25.442 8.874 -11.173 154 2HG1 ILE 20 1HG1 ILE 20 -27.053 8.227 -11.252 155 1HG2 ILE 20 1HG2 ILE 20 -25.463 5.794 -12.925 156 2HG2 ILE 20 2HG2 ILE 20 -26.016 6.344 -14.502 157 3HG2 ILE 20 3HG2 ILE 20 -27.172 6.143 -13.188 158 1HD1 ILE 20 1HD1 ILE 20 -24.548 6.584 -11.138 159 2HD1 ILE 20 2HD1 ILE 20 -26.192 5.959 -11.160 160 3HD1 ILE 20 3HD1 ILE 20 -25.626 6.904 -9.793 161 H THR 21 H THR 21 -22.469 7.951 -12.150 162 HA THR 21 HA THR 21 -21.039 9.336 -10.811 163 HB THR 21 HB THR 21 -23.069 11.539 -11.049 164 HG1 THR 21 HG1 THR 21 -22.120 12.087 -13.029 165 1HG2 THR 21 1HG2 THR 21 -21.408 12.616 -9.983 166 2HG2 THR 21 2HG2 THR 21 -20.433 12.437 -11.443 167 3HG2 THR 21 3HG2 THR 21 -20.334 11.229 -10.161 168 H LEU 22 H LEU 22 -24.005 8.200 -10.261 169 HA LEU 22 HA LEU 22 -25.418 7.866 -8.385 170 1HB LEU 22 2HB LEU 22 -23.541 6.571 -7.749 171 2HB LEU 22 1HB LEU 22 -22.578 7.996 -7.374 172 HG LEU 22 HG LEU 22 -23.909 8.459 -5.408 173 1HD1 LEU 22 1HD1 LEU 22 -26.034 7.498 -6.672 174 2HD1 LEU 22 2HD1 LEU 22 -25.953 7.460 -4.913 175 3HD1 LEU 22 3HD1 LEU 22 -25.583 6.010 -5.845 176 1HD2 LEU 22 1HD2 LEU 22 -22.204 6.836 -4.982 177 2HD2 LEU 22 2HD2 LEU 22 -23.150 5.548 -5.726 178 3HD2 LEU 22 3HD2 LEU 22 -23.657 6.237 -4.183 179 H LYS 23 H LYS 23 -24.648 10.809 -9.142 180 HA LYS 23 HA LYS 23 -24.855 12.180 -6.547 181 1HB LYS 23 2HB LYS 23 -23.619 12.909 -8.705 182 2HB LYS 23 1HB LYS 23 -25.215 13.349 -9.313 183 1HG LYS 23 2HG LYS 23 -24.242 15.322 -8.306 184 2HG LYS 23 1HG LYS 23 -25.529 14.754 -7.242 185 1HD LYS 23 2HD LYS 23 -23.900 13.639 -5.804 186 2HD LYS 23 1HD LYS 23 -22.591 14.095 -6.894 187 1HE LYS 23 2HE LYS 23 -23.888 16.517 -6.348 188 2HE LYS 23 1HE LYS 23 -23.839 15.673 -4.787 189 1HZ LYS 23 1HZ LYS 23 -21.509 15.231 -5.097 190 2HZ LYS 23 2HZ LYS 23 -21.771 16.902 -5.255 191 3HZ LYS 23 3HZ LYS 23 -21.528 15.943 -6.637 192 H GLY 24 H GLY 24 -26.873 12.266 -5.548 193 1HA GLY 24 2HA GLY 24 -29.231 12.219 -5.347 194 2HA GLY 24 1HA GLY 24 -29.190 13.378 -6.683 195 H HIS 25 H HIS 25 -28.235 9.972 -6.490 196 HA HIS 25 HA HIS 25 -29.890 9.426 -8.920 197 1HB HIS 25 2HB HIS 25 -27.468 9.263 -9.108 198 2HB HIS 25 1HB HIS 25 -27.405 8.191 -7.716 199 HD1 HIS 25 HD1 HIS 25 -29.261 8.196 -11.072 200 HD2 HIS 25 HD2 HIS 25 -27.143 5.610 -8.587 201 HE1 HIS 25 HE1 HIS 25 -28.981 6.008 -12.326 202 H LYS 26 H LYS 26 -28.609 6.690 -7.310 203 HA LYS 26 HA LYS 26 -29.738 4.825 -6.424 204 1HB LYS 26 2HB LYS 26 -30.193 7.268 -4.833 205 2HB LYS 26 1HB LYS 26 -31.361 5.986 -4.509 206 1HG LYS 26 2HG LYS 26 -28.438 5.312 -4.646 207 2HG LYS 26 1HG LYS 26 -29.095 6.038 -3.178 208 1HD LYS 26 2HD LYS 26 -30.933 4.215 -3.352 209 2HD LYS 26 1HD LYS 26 -29.820 3.408 -4.457 210 1HE LYS 26 2HE LYS 26 -28.251 2.989 -2.789 211 2HE LYS 26 1HE LYS 26 -28.771 4.378 -1.812 212 1HZ LYS 26 1HZ LYS 26 -29.881 1.700 -1.949 213 2HZ LYS 26 2HZ LYS 26 -31.029 2.954 -1.950 214 3HZ LYS 26 3HZ LYS 26 -29.911 2.820 -0.676 215 H ARG 27 H ARG 27 -32.464 6.905 -5.690 216 HA ARG 27 HA ARG 27 -34.486 5.277 -6.752 217 1HB ARG 27 2HB ARG 27 -34.472 8.310 -6.804 218 2HB ARG 27 1HB ARG 27 -35.857 7.249 -6.553 219 1HG ARG 27 2HG ARG 27 -34.294 6.405 -4.530 220 2HG ARG 27 1HG ARG 27 -33.731 8.072 -4.648 221 1HD ARG 27 2HD ARG 27 -36.671 7.773 -4.777 222 2HD ARG 27 1HD ARG 27 -35.945 7.328 -3.221 223 HE ARG 27 HE ARG 27 -35.402 9.602 -2.912 224 1HH1 ARG 27 1HH2 ARG 27 -36.844 9.211 -5.942 225 2HH1 ARG 27 2HH2 ARG 27 -36.231 10.686 -6.609 226 1HH2 ARG 27 1HH1 ARG 27 -34.195 11.381 -3.889 227 2HH2 ARG 27 2HH1 ARG 27 -34.730 11.914 -5.448 228 H TYR 28 H TYR 28 -32.217 7.326 -8.414 229 HA TYR 28 HA TYR 28 -33.757 7.345 -10.946 230 1HB TYR 28 2HB TYR 28 -31.086 8.451 -10.018 231 2HB TYR 28 1HB TYR 28 -31.728 8.693 -11.644 232 HD1 TYR 28 HD1 TYR 28 -32.896 8.995 -8.078 233 HD2 TYR 28 HD2 TYR 28 -32.921 10.642 -12.044 234 HE1 TYR 28 HE1 TYR 28 -34.245 10.905 -7.270 235 HE2 TYR 28 HE2 TYR 28 -34.271 12.556 -11.235 236 HH TYR 28 HH TYR 28 -35.158 12.862 -7.799 237 H CYS 29 H CYS 29 -31.767 5.169 -9.387 238 HA CYS 29 HA CYS 29 -29.946 4.353 -11.453 239 1HB CYS 29 2HB CYS 29 -30.048 3.818 -8.904 240 2HB CYS 29 1HB CYS 29 -31.168 2.551 -9.376 241 H LYS 30 H LYS 30 -30.083 2.687 -12.941 242 HA LYS 30 HA LYS 30 -32.843 1.818 -13.677 243 1HB LYS 30 2HB LYS 30 -30.529 2.576 -15.090 244 2HB LYS 30 1HB LYS 30 -30.627 0.828 -15.299 245 1HG LYS 30 2HG LYS 30 -33.262 1.799 -15.591 246 2HG LYS 30 1HG LYS 30 -32.229 2.867 -16.543 247 1HD LYS 30 2HD LYS 30 -31.323 0.193 -16.950 248 2HD LYS 30 1HD LYS 30 -33.072 0.207 -17.173 249 1HE LYS 30 2HE LYS 30 -32.174 2.541 -18.459 250 2HE LYS 30 1HE LYS 30 -31.016 1.279 -18.921 251 1HZ LYS 30 1HZ LYS 30 -32.636 -0.022 -19.832 252 2HZ LYS 30 2HZ LYS 30 -33.303 1.507 -20.158 253 3HZ LYS 30 3HZ LYS 30 -33.863 0.596 -18.838 254 H PHE 31 H PHE 31 -30.849 0.985 -11.412 255 HA PHE 31 HA PHE 31 -31.289 -1.958 -11.585 256 1HB PHE 31 2HB PHE 31 -28.705 -0.509 -10.880 257 2HB PHE 31 1HB PHE 31 -28.900 -2.260 -10.980 258 HD1 PHE 31 HD1 PHE 31 -28.837 0.895 -12.905 259 HD2 PHE 31 HD2 PHE 31 -29.014 -3.386 -13.116 260 HE1 PHE 31 HE1 PHE 31 -28.389 1.002 -15.330 261 HE2 PHE 31 HE2 PHE 31 -28.572 -3.283 -15.545 262 HZ PHE 31 HZ PHE 31 -28.248 -1.090 -16.662 263 H ARG 32 H ARG 32 -32.106 0.700 -10.064 264 HA ARG 32 HA ARG 32 -31.301 0.841 -7.444 265 1HB ARG 32 2HB ARG 32 -34.005 1.116 -7.131 266 2HB ARG 32 1HB ARG 32 -32.951 2.376 -7.754 267 1HG ARG 32 2HG ARG 32 -35.040 1.914 -9.126 268 2HG ARG 32 1HG ARG 32 -33.529 1.860 -10.016 269 1HD ARG 32 2HD ARG 32 -33.642 -0.438 -10.343 270 2HD ARG 32 1HD ARG 32 -34.573 -0.695 -8.852 271 HE ARG 32 HE ARG 32 -36.538 0.272 -10.008 272 1HH1 ARG 32 1HH2 ARG 32 -35.002 1.701 -12.183 273 2HH1 ARG 32 2HH2 ARG 32 -35.308 0.686 -13.552 274 1HH2 ARG 32 1HH1 ARG 32 -36.403 -2.001 -11.650 275 2HH2 ARG 32 2HH1 ARG 32 -36.095 -1.412 -13.250 276 H TYR 33 H TYR 33 -33.062 -1.758 -8.918 277 HA TYR 33 HA TYR 33 -33.117 -3.158 -6.267 278 1HB TYR 33 2HB TYR 33 -35.256 -3.016 -8.415 279 2HB TYR 33 1HB TYR 33 -35.339 -4.068 -7.001 280 HD1 TYR 33 HD1 TYR 33 -36.531 -1.084 -8.215 281 HD2 TYR 33 HD2 TYR 33 -34.569 -2.656 -4.733 282 HE1 TYR 33 HE1 TYR 33 -37.415 0.800 -6.866 283 HE2 TYR 33 HE2 TYR 33 -35.452 -0.772 -3.385 284 HH TYR 33 HH TYR 33 -36.716 1.047 -3.375 285 H CYS 34 H CYS 34 -31.780 -3.193 -9.264 286 HA CYS 34 HA CYS 34 -32.152 -5.680 -10.449 287 1HB CYS 34 2HB CYS 34 -30.550 -3.859 -11.140 288 2HB CYS 34 1HB CYS 34 -29.494 -4.365 -9.830 289 H THR 35 H THR 35 -30.711 -7.653 -10.193 290 HA THR 35 HA THR 35 -29.774 -8.110 -7.402 291 HB THR 35 HB THR 35 -31.139 -10.213 -7.374 292 HG1 THR 35 HG1 THR 35 -31.884 -10.805 -9.228 293 1HG2 THR 35 1HG2 THR 35 -32.982 -7.911 -7.970 294 2HG2 THR 35 2HG2 THR 35 -31.921 -7.861 -6.563 295 3HG2 THR 35 3HG2 THR 35 -33.121 -9.145 -6.716 296 H CYS 36 H CYS 36 -29.020 -8.240 -10.603 297 HA CYS 36 HA CYS 36 -28.042 -10.785 -11.196 298 1HB CYS 36 2HB CYS 36 -26.527 -9.639 -12.664 299 2HB CYS 36 1HB CYS 36 -27.980 -8.647 -12.563 300 H GLU 37 H GLU 37 -25.628 -11.510 -10.946 301 HA GLU 37 HA GLU 37 -24.953 -11.383 -8.108 302 1HB GLU 37 2HB GLU 37 -23.260 -13.012 -8.749 303 2HB GLU 37 1HB GLU 37 -24.760 -13.386 -9.598 304 1HG GLU 37 2HG GLU 37 -23.812 -11.933 -11.514 305 2HG GLU 37 1HG GLU 37 -22.260 -12.100 -10.691 306 H LYS 38 H LYS 38 -24.433 -9.125 -10.416 307 HA LYS 38 HA LYS 38 -21.655 -8.457 -9.506 308 1HB LYS 38 2HB LYS 38 -23.196 -8.253 -11.976 309 2HB LYS 38 1HB LYS 38 -22.502 -6.694 -11.526 310 1HG LYS 38 2HG LYS 38 -20.472 -7.378 -12.203 311 2HG LYS 38 1HG LYS 38 -20.536 -8.727 -11.068 312 1HD LYS 38 2HD LYS 38 -20.250 -9.469 -13.441 313 2HD LYS 38 1HD LYS 38 -21.718 -10.101 -12.695 314 1HE LYS 38 2HE LYS 38 -22.456 -7.608 -13.797 315 2HE LYS 38 1HE LYS 38 -21.475 -8.417 -15.036 316 1HZ LYS 38 1HZ LYS 38 -22.821 -10.488 -14.275 317 2HZ LYS 38 2HZ LYS 38 -23.514 -9.395 -15.373 318 3HZ LYS 38 3HZ LYS 38 -23.945 -9.342 -13.731 319 H CYS 39 H CYS 39 -24.968 -7.603 -9.294 320 HA CYS 39 HA CYS 39 -24.494 -4.854 -8.327 321 1HB CYS 39 2HB CYS 39 -26.734 -6.623 -9.165 322 2HB CYS 39 1HB CYS 39 -27.124 -5.506 -7.870 323 H ARG 40 H ARG 40 -25.451 -8.087 -7.207 324 HA ARG 40 HA ARG 40 -25.731 -7.323 -4.408 325 1HB ARG 40 2HB ARG 40 -25.655 -9.843 -6.055 326 2HB ARG 40 1HB ARG 40 -25.538 -9.960 -4.299 327 1HG ARG 40 2HG ARG 40 -27.692 -9.191 -3.962 328 2HG ARG 40 1HG ARG 40 -27.697 -8.240 -5.448 329 1HD ARG 40 2HD ARG 40 -29.135 -10.056 -5.958 330 2HD ARG 40 1HD ARG 40 -27.582 -10.573 -6.645 331 HE ARG 40 HE ARG 40 -27.478 -11.439 -4.006 332 1HH1 ARG 40 1HH2 ARG 40 -27.583 -13.285 -6.403 333 2HH1 ARG 40 2HH2 ARG 40 -29.000 -14.221 -6.059 334 1HH2 ARG 40 1HH1 ARG 40 -30.197 -12.016 -3.662 335 2HH2 ARG 40 2HH1 ARG 40 -30.481 -13.502 -4.508 336 H LEU 41 H LEU 41 -23.283 -8.725 -6.512 337 HA LEU 41 HA LEU 41 -21.300 -9.343 -4.536 338 1HB LEU 41 2HB LEU 41 -20.960 -10.283 -6.659 339 2HB LEU 41 1HB LEU 41 -21.419 -8.797 -7.486 340 HG LEU 41 HG LEU 41 -19.332 -7.772 -7.063 341 1HD1 LEU 41 1HD1 LEU 41 -19.376 -9.465 -4.723 342 2HD1 LEU 41 2HD1 LEU 41 -18.375 -8.049 -5.043 343 3HD1 LEU 41 3HD1 LEU 41 -17.834 -9.645 -5.560 344 1HD2 LEU 41 1HD2 LEU 41 -19.431 -10.397 -8.215 345 2HD2 LEU 41 2HD2 LEU 41 -17.889 -10.207 -7.381 346 3HD2 LEU 41 3HD2 LEU 41 -18.361 -9.058 -8.632 347 H THR 42 H THR 42 -22.155 -6.436 -6.313 348 HA THR 42 HA THR 42 -19.918 -4.803 -5.511 349 HB THR 42 HB THR 42 -22.723 -4.369 -6.517 350 HG1 THR 42 HG1 THR 42 -20.112 -4.291 -7.527 351 1HG2 THR 42 1HG2 THR 42 -22.234 -2.456 -5.084 352 2HG2 THR 42 2HG2 THR 42 -22.139 -1.965 -6.774 353 3HG2 THR 42 3HG2 THR 42 -20.661 -2.250 -5.856 354 H ALA 43 H ALA 43 -23.280 -4.283 -4.567 355 HA ALA 43 HA ALA 43 -22.979 -2.783 -2.267 356 1HB ALA 43 1HB ALA 43 -25.193 -3.382 -1.887 357 2HB ALA 43 2HB ALA 43 -24.888 -5.090 -2.202 358 3HB ALA 43 3HB ALA 43 -25.024 -3.957 -3.546 359 H ASP 44 H ASP 44 -22.335 -6.197 -2.708 360 HA ASP 44 HA ASP 44 -21.962 -6.774 0.145 361 1HB ASP 44 2HB ASP 44 -22.799 -8.371 -1.604 362 2HB ASP 44 1HB ASP 44 -21.209 -8.309 -2.366 363 H ARG 45 H ARG 45 -19.925 -6.189 -2.718 364 HA ARG 45 HA ARG 45 -17.373 -6.793 -1.795 365 1HB ARG 45 2HB ARG 45 -18.335 -5.699 -3.993 366 2HB ARG 45 1HB ARG 45 -17.931 -4.183 -3.185 367 1HG ARG 45 2HG ARG 45 -15.962 -4.671 -4.365 368 2HG ARG 45 1HG ARG 45 -15.615 -5.306 -2.756 369 1HD ARG 45 2HD ARG 45 -16.911 -7.422 -4.064 370 2HD ARG 45 1HD ARG 45 -15.806 -6.749 -5.278 371 HE ARG 45 HE ARG 45 -14.276 -6.787 -2.978 372 1HH1 ARG 45 1HH2 ARG 45 -16.018 -9.101 -2.142 373 2HH1 ARG 45 2HH2 ARG 45 -15.141 -10.452 -2.778 374 1HH2 ARG 45 1HH1 ARG 45 -13.199 -8.524 -4.908 375 2HH2 ARG 45 2HH1 ARG 45 -13.546 -10.125 -4.347 376 H GLN 46 H GLN 46 -19.109 -3.697 -1.285 377 HA GLN 46 HA GLN 46 -17.145 -3.030 0.872 378 1HB GLN 46 2HB GLN 46 -18.868 -1.532 -1.061 379 2HB GLN 46 1HB GLN 46 -18.484 -0.753 0.474 380 1HG GLN 46 2HG GLN 46 -16.217 -0.636 0.008 381 2HG GLN 46 1HG GLN 46 -16.258 -2.040 -1.059 382 1HE2 GLN 46 1HE2 GLN 46 -18.045 1.101 -1.020 383 2HE2 GLN 46 2HE2 GLN 46 -17.712 1.474 -2.642 384 H ARG 47 H ARG 47 -18.400 -4.613 2.279 385 HA ARG 47 HA ARG 47 -21.127 -3.799 3.067 386 1HB ARG 47 2HB ARG 47 -20.390 -6.166 2.802 387 2HB ARG 47 1HB ARG 47 -19.232 -5.930 4.111 388 1HG ARG 47 2HG ARG 47 -21.213 -5.222 5.559 389 2HG ARG 47 1HG ARG 47 -22.250 -5.836 4.272 390 1HD ARG 47 2HD ARG 47 -21.719 -8.039 4.711 391 2HD ARG 47 1HD ARG 47 -20.068 -7.642 5.227 392 HE ARG 47 HE ARG 47 -21.209 -6.589 7.285 393 1HH1 ARG 47 1HH2 ARG 47 -23.994 -7.296 6.273 394 2HH1 ARG 47 2HH2 ARG 47 -24.334 -8.723 7.194 395 1HH2 ARG 47 1HH1 ARG 47 -21.032 -9.235 8.118 396 2HH2 ARG 47 2HH1 ARG 47 -22.658 -9.818 8.242 397 H VAL 48 H VAL 48 -20.259 -1.606 3.847 398 HA VAL 48 HA VAL 48 -19.701 -1.783 6.745 399 HB VAL 48 HB VAL 48 -17.487 -1.907 5.726 400 1HG1 VAL 48 1HG1 VAL 48 -18.704 -0.169 3.802 401 2HG1 VAL 48 2HG1 VAL 48 -17.125 -0.953 3.723 402 3HG1 VAL 48 3HG1 VAL 48 -17.282 0.641 4.462 403 1HG2 VAL 48 1HG2 VAL 48 -18.154 0.848 6.810 404 2HG2 VAL 48 2HG2 VAL 48 -16.511 0.238 6.606 405 3HG2 VAL 48 3HG2 VAL 48 -17.610 -0.550 7.738 406 H MET 49 H MET 49 -21.926 -0.794 6.568 407 HA MET 49 HA MET 49 -21.826 2.103 5.799 408 1HB MET 49 2HB MET 49 -23.390 0.674 4.535 409 2HB MET 49 1HB MET 49 -24.132 0.143 6.046 410 1HG MET 49 2HG MET 49 -25.513 1.901 5.120 411 2HG MET 49 1HG MET 49 -24.687 2.548 6.537 412 1HE MET 49 1HE MET 49 -25.720 3.855 3.099 413 2HE MET 49 2HE MET 49 -25.160 2.188 2.998 414 3HE MET 49 3HE MET 49 -24.277 3.459 2.154 415 H ALA 50 H ALA 50 -22.005 -0.042 8.446 416 HA ALA 50 HA ALA 50 -23.403 1.949 10.176 417 1HB ALA 50 1HB ALA 50 -22.461 -0.761 11.057 418 2HB ALA 50 2HB ALA 50 -23.823 -0.656 9.940 419 3HB ALA 50 3HB ALA 50 -23.919 0.116 11.522 420 H LEU 51 H LEU 51 -21.549 3.437 10.279 421 HA LEU 51 HA LEU 51 -19.512 2.530 12.258 422 1HB LEU 51 2HB LEU 51 -17.804 3.708 10.748 423 2HB LEU 51 1HB LEU 51 -18.433 2.171 10.151 424 HG LEU 51 HG LEU 51 -20.161 4.347 9.342 425 1HD1 LEU 51 1HD1 LEU 51 -17.409 4.523 8.135 426 2HD1 LEU 51 2HD1 LEU 51 -17.803 5.457 9.579 427 3HD1 LEU 51 3HD1 LEU 51 -18.716 5.707 8.092 428 1HD2 LEU 51 1HD2 LEU 51 -19.996 2.062 8.338 429 2HD2 LEU 51 2HD2 LEU 51 -18.388 2.473 7.743 430 3HD2 LEU 51 3HD2 LEU 51 -19.800 3.344 7.143 431 H GLN 52 H GLN 52 -21.322 4.040 13.319 432 HA GLN 52 HA GLN 52 -20.125 6.758 13.464 433 1HB GLN 52 2HB GLN 52 -22.034 6.494 11.706 434 2HB GLN 52 1HB GLN 52 -23.100 6.406 13.109 435 1HG GLN 52 2HG GLN 52 -21.091 8.618 13.009 436 2HG GLN 52 1HG GLN 52 -22.519 8.744 11.979 437 1HE2 GLN 52 1HE2 GLN 52 -24.687 8.449 13.158 438 2HE2 GLN 52 2HE2 GLN 52 -24.795 9.000 14.760 Start of MODEL 17 1 1H SER 1 1H SER 1 -6.659 1.188 -15.893 2 2H SER 1 2H SER 1 -5.279 0.929 -16.849 3 3H SER 1 3H SER 1 -5.267 0.504 -15.204 4 HA SER 1 HA SER 1 -6.877 -0.786 -17.351 5 1HB SER 1 2HB SER 1 -4.579 -1.704 -15.593 6 2HB SER 1 1HB SER 1 -5.368 -2.667 -16.839 7 HG SER 1 HG SER 1 -3.331 -1.379 -17.322 8 H ILE 2 H ILE 2 -5.751 -1.370 -13.995 9 HA ILE 2 HA ILE 2 -8.568 -2.128 -13.289 10 HB ILE 2 HB ILE 2 -7.243 -4.127 -13.546 11 1HG1 ILE 2 2HG1 ILE 2 -6.884 -3.916 -10.625 12 2HG1 ILE 2 1HG1 ILE 2 -8.488 -3.446 -11.190 13 1HG2 ILE 2 1HG2 ILE 2 -5.162 -3.965 -11.704 14 2HG2 ILE 2 2HG2 ILE 2 -5.153 -2.382 -12.481 15 3HG2 ILE 2 3HG2 ILE 2 -5.001 -3.843 -13.456 16 1HD1 ILE 2 1HD1 ILE 2 -7.538 -6.067 -10.814 17 2HD1 ILE 2 2HD1 ILE 2 -7.588 -5.835 -12.561 18 3HD1 ILE 2 3HD1 ILE 2 -9.045 -5.590 -11.598 19 H SER 3 H SER 3 -9.285 -0.680 -11.769 20 HA SER 3 HA SER 3 -7.425 0.099 -9.565 21 1HB SER 3 2HB SER 3 -9.222 2.141 -10.829 22 2HB SER 3 1HB SER 3 -7.685 2.373 -10.002 23 HG SER 3 HG SER 3 -7.311 2.601 -12.178 24 HA PRO 4 HA PRO 4 -10.982 -0.494 -7.062 25 1HB PRO 4 2HB PRO 4 -10.532 1.304 -5.050 26 2HB PRO 4 1HB PRO 4 -9.595 -0.193 -5.235 27 1HG PRO 4 2HG PRO 4 -8.870 2.595 -5.966 28 2HG PRO 4 1HG PRO 4 -7.858 1.296 -5.318 29 1HD PRO 4 2HD PRO 4 -7.904 2.044 -7.958 30 2HD PRO 4 1HD PRO 4 -7.426 0.432 -7.382 31 H ARG 5 H ARG 5 -13.046 0.213 -7.462 32 HA ARG 5 HA ARG 5 -13.521 3.167 -7.707 33 1HB ARG 5 2HB ARG 5 -14.384 0.827 -9.412 34 2HB ARG 5 1HB ARG 5 -15.279 2.347 -9.437 35 1HG ARG 5 2HG ARG 5 -12.296 2.142 -9.921 36 2HG ARG 5 1HG ARG 5 -13.499 2.189 -11.210 37 1HD ARG 5 2HD ARG 5 -14.342 4.353 -9.944 38 2HD ARG 5 1HD ARG 5 -12.685 4.365 -9.307 39 HE ARG 5 HE ARG 5 -12.411 3.872 -12.046 40 1HH1 ARG 5 1HH2 ARG 5 -13.288 6.352 -9.847 41 2HH1 ARG 5 2HH2 ARG 5 -13.233 7.617 -11.029 42 1HH2 ARG 5 1HH1 ARG 5 -12.549 5.476 -13.672 43 2HH2 ARG 5 2HH1 ARG 5 -12.816 7.121 -13.197 44 H THR 6 H THR 6 -15.233 3.880 -6.447 45 HA THR 6 HA THR 6 -17.400 2.048 -5.695 46 HB THR 6 HB THR 6 -15.152 2.844 -3.889 47 HG1 THR 6 HG1 THR 6 -16.758 0.528 -3.906 48 1HG2 THR 6 1HG2 THR 6 -17.056 3.776 -2.710 49 2HG2 THR 6 2HG2 THR 6 -16.620 2.254 -1.933 50 3HG2 THR 6 3HG2 THR 6 -18.008 2.324 -3.019 51 HA PRO 7 HA PRO 7 -18.454 6.271 -3.745 52 1HB PRO 7 2HB PRO 7 -16.555 8.249 -3.798 53 2HB PRO 7 1HB PRO 7 -16.755 7.095 -2.465 54 1HG PRO 7 2HG PRO 7 -14.801 7.065 -4.714 55 2HG PRO 7 1HG PRO 7 -14.564 6.665 -3.006 56 1HD PRO 7 2HD PRO 7 -14.847 4.761 -4.908 57 2HD PRO 7 1HD PRO 7 -15.412 4.538 -3.238 58 HA PRO 8 HA PRO 8 -17.880 8.727 -7.752 59 1HB PRO 8 2HB PRO 8 -16.563 7.556 -9.836 60 2HB PRO 8 1HB PRO 8 -15.743 8.535 -8.606 61 1HG PRO 8 2HG PRO 8 -15.734 5.626 -8.997 62 2HG PRO 8 1HG PRO 8 -14.547 6.665 -8.199 63 1HD PRO 8 2HD PRO 8 -16.511 5.033 -6.975 64 2HD PRO 8 1HD PRO 8 -15.416 6.179 -6.183 65 H ASN 9 H ASN 9 -19.610 8.721 -9.199 66 HA ASN 9 HA ASN 9 -21.534 7.886 -10.283 67 1HB ASN 9 2HB ASN 9 -20.945 6.519 -12.059 68 2HB ASN 9 1HB ASN 9 -19.356 7.106 -11.575 69 1HD2 ASN 9 1HD2 ASN 9 -17.834 5.468 -11.337 70 2HD2 ASN 9 2HD2 ASN 9 -18.186 3.855 -10.943 71 H CYS 10 H CYS 10 -23.049 5.992 -10.400 72 HA CYS 10 HA CYS 10 -23.322 4.787 -7.733 73 1HB CYS 10 2HB CYS 10 -25.267 5.697 -8.920 74 2HB CYS 10 1HB CYS 10 -24.918 4.716 -10.308 75 H ALA 11 H ALA 11 -22.826 2.608 -7.266 76 HA ALA 11 HA ALA 11 -21.464 1.115 -9.372 77 1HB ALA 11 1HB ALA 11 -20.606 1.202 -7.070 78 2HB ALA 11 2HB ALA 11 -20.968 -0.460 -7.536 79 3HB ALA 11 3HB ALA 11 -22.082 0.426 -6.494 80 H ARG 12 H ARG 12 -24.587 1.097 -7.882 81 HA ARG 12 HA ARG 12 -25.447 -1.570 -8.412 82 1HB ARG 12 2HB ARG 12 -26.565 0.257 -7.099 83 2HB ARG 12 1HB ARG 12 -26.939 1.063 -8.613 84 1HG ARG 12 2HG ARG 12 -28.804 -0.151 -8.718 85 2HG ARG 12 1HG ARG 12 -27.792 -1.571 -8.981 86 1HD ARG 12 2HD ARG 12 -28.865 -0.529 -6.338 87 2HD ARG 12 1HD ARG 12 -29.154 -2.115 -7.081 88 HE ARG 12 HE ARG 12 -26.481 -2.202 -6.900 89 1HH1 ARG 12 1HH2 ARG 12 -28.320 -3.339 -4.722 90 2HH1 ARG 12 2HH2 ARG 12 -27.600 -2.660 -3.301 91 1HH2 ARG 12 1HH1 ARG 12 -25.747 -0.304 -5.046 92 2HH2 ARG 12 2HH1 ARG 12 -26.141 -0.943 -3.485 93 H CYS 13 H CYS 13 -25.643 1.354 -10.387 94 HA CYS 13 HA CYS 13 -26.669 -0.181 -12.663 95 1HB CYS 13 2HB CYS 13 -26.766 2.107 -13.675 96 2HB CYS 13 1HB CYS 13 -27.502 2.044 -12.093 97 H ARG 14 H ARG 14 -23.394 0.834 -11.656 98 HA ARG 14 HA ARG 14 -22.303 0.837 -14.360 99 1HB ARG 14 2HB ARG 14 -20.126 0.408 -13.146 100 2HB ARG 14 1HB ARG 14 -21.025 1.799 -12.544 101 1HG ARG 14 2HG ARG 14 -20.279 0.556 -10.630 102 2HG ARG 14 1HG ARG 14 -22.001 0.300 -10.794 103 1HD ARG 14 2HD ARG 14 -21.714 -1.926 -10.922 104 2HD ARG 14 1HD ARG 14 -20.557 -1.736 -12.254 105 HE ARG 14 HE ARG 14 -19.445 -0.968 -9.667 106 1HH1 ARG 14 1HH2 ARG 14 -20.636 -3.901 -10.703 107 2HH1 ARG 14 2HH2 ARG 14 -19.128 -4.751 -10.640 108 1HH2 ARG 14 1HH1 ARG 14 -17.237 -1.897 -10.090 109 2HH2 ARG 14 2HH1 ARG 14 -17.205 -3.616 -10.294 110 H ASN 15 H ASN 15 -23.144 -1.638 -12.091 111 HA ASN 15 HA ASN 15 -21.629 -3.836 -12.767 112 1HB ASN 15 2HB ASN 15 -24.561 -3.423 -12.203 113 2HB ASN 15 1HB ASN 15 -23.872 -5.036 -12.311 114 1HD2 ASN 15 1HD2 ASN 15 -24.715 -2.804 -10.108 115 2HD2 ASN 15 2HD2 ASN 15 -23.518 -3.017 -8.932 116 H HIS 16 H HIS 16 -24.243 -2.368 -14.525 117 HA HIS 16 HA HIS 16 -24.080 -4.383 -16.699 118 1HB HIS 16 2HB HIS 16 -25.986 -2.137 -15.993 119 2HB HIS 16 1HB HIS 16 -26.240 -3.308 -17.268 120 HD1 HIS 16 HD1 HIS 16 -27.054 -5.626 -16.647 121 HD2 HIS 16 HD2 HIS 16 -25.907 -3.329 -13.366 122 HE1 HIS 16 HE1 HIS 16 -27.709 -6.954 -14.578 123 H GLY 17 H GLY 17 -22.948 -1.227 -15.946 124 1HA GLY 17 2HA GLY 17 -21.258 -0.328 -17.565 125 2HA GLY 17 1HA GLY 17 -22.379 -0.774 -18.854 126 H LEU 18 H LEU 18 -23.434 0.648 -15.837 127 HA LEU 18 HA LEU 18 -24.435 2.999 -17.376 128 1HB LEU 18 2HB LEU 18 -25.618 1.219 -15.663 129 2HB LEU 18 1HB LEU 18 -25.224 2.541 -14.564 130 HG LEU 18 HG LEU 18 -27.478 2.804 -15.572 131 1HD1 LEU 18 1HD1 LEU 18 -25.993 4.965 -16.917 132 2HD1 LEU 18 2HD1 LEU 18 -25.537 4.699 -15.235 133 3HD1 LEU 18 3HD1 LEU 18 -27.215 5.056 -15.647 134 1HD2 LEU 18 1HD2 LEU 18 -26.637 3.631 -18.198 135 2HD2 LEU 18 2HD2 LEU 18 -27.801 2.380 -17.762 136 3HD2 LEU 18 3HD2 LEU 18 -26.089 1.980 -17.910 137 H LYS 19 H LYS 19 -24.105 5.138 -16.459 138 HA LYS 19 HA LYS 19 -22.208 5.439 -14.212 139 1HB LYS 19 2HB LYS 19 -21.198 5.182 -16.709 140 2HB LYS 19 1HB LYS 19 -21.534 6.914 -16.714 141 1HG LYS 19 2HG LYS 19 -19.259 6.518 -15.897 142 2HG LYS 19 1HG LYS 19 -20.264 7.145 -14.589 143 1HD LYS 19 2HD LYS 19 -19.525 5.360 -13.400 144 2HD LYS 19 1HD LYS 19 -20.649 4.416 -14.380 145 1HE LYS 19 2HE LYS 19 -18.969 3.485 -15.637 146 2HE LYS 19 1HE LYS 19 -18.003 4.975 -15.624 147 1HZ LYS 19 1HZ LYS 19 -16.946 3.352 -14.219 148 2HZ LYS 19 2HZ LYS 19 -18.387 3.093 -13.355 149 3HZ LYS 19 3HZ LYS 19 -17.582 4.584 -13.243 150 H ILE 20 H ILE 20 -23.964 6.495 -13.210 151 HA ILE 20 HA ILE 20 -25.059 8.926 -14.529 152 HB ILE 20 HB ILE 20 -26.989 8.362 -13.450 153 1HG1 ILE 20 2HG1 ILE 20 -25.734 8.964 -11.226 154 2HG1 ILE 20 1HG1 ILE 20 -27.278 8.164 -11.231 155 1HG2 ILE 20 1HG2 ILE 20 -25.595 5.788 -12.824 156 2HG2 ILE 20 2HG2 ILE 20 -26.193 6.235 -14.416 157 3HG2 ILE 20 3HG2 ILE 20 -27.321 6.039 -13.079 158 1HD1 ILE 20 1HD1 ILE 20 -26.203 5.990 -11.061 159 2HD1 ILE 20 2HD1 ILE 20 -25.710 7.048 -9.749 160 3HD1 ILE 20 3HD1 ILE 20 -24.621 6.767 -11.099 161 H THR 21 H THR 21 -22.619 8.144 -12.364 162 HA THR 21 HA THR 21 -21.211 9.640 -11.126 163 HB THR 21 HB THR 21 -23.386 11.712 -11.251 164 HG1 THR 21 HG1 THR 21 -22.315 12.265 -13.315 165 1HG2 THR 21 1HG2 THR 21 -20.362 11.818 -11.433 166 2HG2 THR 21 2HG2 THR 21 -21.319 12.191 -10.000 167 3HG2 THR 21 3HG2 THR 21 -21.435 13.217 -11.430 168 H LEU 22 H LEU 22 -24.200 8.468 -10.391 169 HA LEU 22 HA LEU 22 -25.403 8.039 -8.397 170 1HB LEU 22 2HB LEU 22 -23.513 6.819 -7.787 171 2HB LEU 22 1HB LEU 22 -22.493 8.251 -7.688 172 HG LEU 22 HG LEU 22 -23.590 8.954 -5.636 173 1HD1 LEU 22 1HD1 LEU 22 -25.270 6.445 -5.743 174 2HD1 LEU 22 2HD1 LEU 22 -25.847 7.963 -6.430 175 3HD1 LEU 22 3HD1 LEU 22 -25.479 7.858 -4.709 176 1HD2 LEU 22 1HD2 LEU 22 -21.784 7.170 -5.581 177 2HD2 LEU 22 2HD2 LEU 22 -23.075 5.977 -5.434 178 3HD2 LEU 22 3HD2 LEU 22 -22.850 7.193 -4.176 179 H LYS 23 H LYS 23 -24.689 11.030 -9.227 180 HA LYS 23 HA LYS 23 -24.875 12.425 -6.656 181 1HB LYS 23 2HB LYS 23 -24.005 13.032 -9.186 182 2HB LYS 23 1HB LYS 23 -25.591 13.801 -9.181 183 1HG LYS 23 2HG LYS 23 -24.972 14.908 -7.008 184 2HG LYS 23 1HG LYS 23 -23.342 14.261 -7.204 185 1HD LYS 23 2HD LYS 23 -22.859 16.080 -8.442 186 2HD LYS 23 1HD LYS 23 -23.948 15.442 -9.675 187 1HE LYS 23 2HE LYS 23 -25.258 17.261 -9.335 188 2HE LYS 23 1HE LYS 23 -25.621 16.618 -7.720 189 1HZ LYS 23 1HZ LYS 23 -23.276 17.553 -7.178 190 2HZ LYS 23 2HZ LYS 23 -24.611 18.604 -7.200 191 3HZ LYS 23 3HZ LYS 23 -23.549 18.547 -8.525 192 H GLY 24 H GLY 24 -26.849 12.309 -5.556 193 1HA GLY 24 2HA GLY 24 -29.191 12.121 -5.253 194 2HA GLY 24 1HA GLY 24 -29.276 13.341 -6.533 195 H HIS 25 H HIS 25 -28.510 9.873 -6.232 196 HA HIS 25 HA HIS 25 -30.076 9.392 -8.746 197 1HB HIS 25 2HB HIS 25 -27.686 9.303 -9.060 198 2HB HIS 25 1HB HIS 25 -27.491 8.275 -7.647 199 HD1 HIS 25 HD1 HIS 25 -29.510 8.073 -10.902 200 HD2 HIS 25 HD2 HIS 25 -27.080 5.698 -8.493 201 HE1 HIS 25 HE1 HIS 25 -29.100 5.906 -12.150 202 H LYS 26 H LYS 26 -28.582 6.753 -7.090 203 HA LYS 26 HA LYS 26 -29.579 4.800 -6.223 204 1HB LYS 26 2HB LYS 26 -30.759 7.151 -4.725 205 2HB LYS 26 1HB LYS 26 -31.100 5.489 -4.241 206 1HG LYS 26 2HG LYS 26 -28.930 5.097 -3.552 207 2HG LYS 26 1HG LYS 26 -28.246 6.250 -4.700 208 1HD LYS 26 2HD LYS 26 -29.222 8.111 -3.347 209 2HD LYS 26 1HD LYS 26 -29.765 6.921 -2.162 210 1HE LYS 26 2HE LYS 26 -27.724 6.996 -1.187 211 2HE LYS 26 1HE LYS 26 -26.995 6.421 -2.699 212 1HZ LYS 26 1HZ LYS 26 -27.339 8.809 -3.494 213 2HZ LYS 26 2HZ LYS 26 -26.067 8.525 -2.405 214 3HZ LYS 26 3HZ LYS 26 -27.523 9.206 -1.856 215 H ARG 27 H ARG 27 -32.538 6.550 -5.546 216 HA ARG 27 HA ARG 27 -34.312 4.741 -6.724 217 1HB ARG 27 2HB ARG 27 -34.632 6.899 -5.281 218 2HB ARG 27 1HB ARG 27 -34.749 7.725 -6.834 219 1HG ARG 27 2HG ARG 27 -36.888 7.061 -7.029 220 2HG ARG 27 1HG ARG 27 -36.368 5.376 -6.968 221 1HD ARG 27 2HD ARG 27 -37.714 5.413 -5.075 222 2HD ARG 27 1HD ARG 27 -36.194 5.957 -4.338 223 HE ARG 27 HE ARG 27 -37.215 8.315 -5.217 224 1HH1 ARG 27 1HH2 ARG 27 -37.556 6.772 -2.419 225 2HH1 ARG 27 2HH2 ARG 27 -39.186 7.242 -2.073 226 1HH2 ARG 27 1HH1 ARG 27 -39.792 8.459 -5.264 227 2HH2 ARG 27 2HH1 ARG 27 -40.453 8.195 -3.685 228 H TYR 28 H TYR 28 -32.314 7.172 -8.255 229 HA TYR 28 HA TYR 28 -33.697 6.988 -10.856 230 1HB TYR 28 2HB TYR 28 -31.187 8.358 -9.831 231 2HB TYR 28 1HB TYR 28 -31.792 8.533 -11.480 232 HD1 TYR 28 HD1 TYR 28 -31.739 10.146 -8.440 233 HD2 TYR 28 HD2 TYR 28 -34.543 8.905 -11.450 234 HE1 TYR 28 HE1 TYR 28 -33.323 11.896 -7.685 235 HE2 TYR 28 HE2 TYR 28 -36.127 10.657 -10.693 236 HH TYR 28 HH TYR 28 -36.006 12.132 -7.838 237 H CYS 29 H CYS 29 -32.120 4.695 -9.402 238 HA CYS 29 HA CYS 29 -30.024 4.132 -11.425 239 1HB CYS 29 2HB CYS 29 -29.767 3.889 -8.896 240 2HB CYS 29 1HB CYS 29 -30.875 2.525 -9.004 241 H LYS 30 H LYS 30 -30.738 3.056 -13.264 242 HA LYS 30 HA LYS 30 -33.194 1.636 -13.517 243 1HB LYS 30 2HB LYS 30 -31.028 2.321 -15.105 244 2HB LYS 30 1HB LYS 30 -30.908 0.562 -15.035 245 1HG LYS 30 2HG LYS 30 -33.589 0.873 -15.431 246 2HG LYS 30 1HG LYS 30 -32.960 2.259 -16.322 247 1HD LYS 30 2HD LYS 30 -31.840 -0.528 -16.669 248 2HD LYS 30 1HD LYS 30 -33.171 0.084 -17.650 249 1HE LYS 30 2HE LYS 30 -30.594 1.645 -17.382 250 2HE LYS 30 1HE LYS 30 -30.791 0.384 -18.616 251 1HZ LYS 30 1HZ LYS 30 -32.507 1.503 -19.627 252 2HZ LYS 30 2HZ LYS 30 -31.546 2.810 -19.123 253 3HZ LYS 30 3HZ LYS 30 -32.925 2.372 -18.231 254 H PHE 31 H PHE 31 -30.230 0.874 -11.966 255 HA PHE 31 HA PHE 31 -30.906 -2.016 -11.642 256 1HB PHE 31 2HB PHE 31 -28.380 -0.385 -11.127 257 2HB PHE 31 1HB PHE 31 -28.457 -2.154 -11.158 258 HD1 PHE 31 HD1 PHE 31 -28.765 0.930 -13.178 259 HD2 PHE 31 HD2 PHE 31 -28.661 -3.360 -13.244 260 HE1 PHE 31 HE1 PHE 31 -28.569 0.978 -15.641 261 HE2 PHE 31 HE2 PHE 31 -28.460 -3.318 -15.708 262 HZ PHE 31 HZ PHE 31 -28.410 -1.150 -16.917 263 H ARG 32 H ARG 32 -31.708 0.735 -10.176 264 HA ARG 32 HA ARG 32 -30.884 0.896 -7.558 265 1HB ARG 32 2HB ARG 32 -32.946 1.992 -7.165 266 2HB ARG 32 1HB ARG 32 -32.691 2.185 -8.893 267 1HG ARG 32 2HG ARG 32 -34.272 -0.167 -7.853 268 2HG ARG 32 1HG ARG 32 -35.034 1.405 -8.041 269 1HD ARG 32 2HD ARG 32 -33.451 0.267 -10.337 270 2HD ARG 32 1HD ARG 32 -35.114 -0.274 -10.054 271 HE ARG 32 HE ARG 32 -35.171 2.525 -9.818 272 1HH1 ARG 32 1HH2 ARG 32 -36.236 0.363 -11.955 273 2HH1 ARG 32 2HH2 ARG 32 -35.883 1.255 -13.397 274 1HH2 ARG 32 1HH1 ARG 32 -33.907 3.601 -11.777 275 2HH2 ARG 32 2HH1 ARG 32 -34.561 3.090 -13.296 276 H TYR 33 H TYR 33 -32.871 -1.587 -8.982 277 HA TYR 33 HA TYR 33 -32.878 -3.001 -6.333 278 1HB TYR 33 2HB TYR 33 -35.062 -2.561 -8.371 279 2HB TYR 33 1HB TYR 33 -35.166 -3.850 -7.169 280 HD1 TYR 33 HD1 TYR 33 -36.611 -0.923 -7.673 281 HD2 TYR 33 HD2 TYR 33 -33.894 -2.632 -4.819 282 HE1 TYR 33 HE1 TYR 33 -37.358 0.722 -5.975 283 HE2 TYR 33 HE2 TYR 33 -34.640 -0.988 -3.121 284 HH TYR 33 HH TYR 33 -36.645 1.717 -3.942 285 H CYS 34 H CYS 34 -31.523 -3.141 -9.272 286 HA CYS 34 HA CYS 34 -32.100 -5.616 -10.454 287 1HB CYS 34 2HB CYS 34 -30.419 -3.878 -11.204 288 2HB CYS 34 1HB CYS 34 -29.356 -4.444 -9.915 289 H THR 35 H THR 35 -30.719 -7.664 -10.202 290 HA THR 35 HA THR 35 -29.805 -8.123 -7.398 291 HB THR 35 HB THR 35 -31.212 -10.424 -8.075 292 HG1 THR 35 HG1 THR 35 -33.004 -8.366 -8.602 293 1HG2 THR 35 1HG2 THR 35 -31.125 -8.739 -5.992 294 2HG2 THR 35 2HG2 THR 35 -32.419 -9.922 -6.186 295 3HG2 THR 35 3HG2 THR 35 -32.677 -8.246 -6.669 296 H CYS 36 H CYS 36 -29.015 -8.276 -10.591 297 HA CYS 36 HA CYS 36 -28.053 -10.832 -11.175 298 1HB CYS 36 2HB CYS 36 -26.521 -9.695 -12.640 299 2HB CYS 36 1HB CYS 36 -27.979 -8.706 -12.553 300 H GLU 37 H GLU 37 -25.513 -11.365 -11.085 301 HA GLU 37 HA GLU 37 -24.817 -11.447 -8.239 302 1HB GLU 37 2HB GLU 37 -24.555 -13.172 -10.240 303 2HB GLU 37 1HB GLU 37 -23.006 -12.351 -10.445 304 1HG GLU 37 2HG GLU 37 -22.296 -12.913 -8.245 305 2HG GLU 37 1HG GLU 37 -23.924 -13.384 -7.759 306 H LYS 38 H LYS 38 -24.323 -9.096 -10.548 307 HA LYS 38 HA LYS 38 -21.608 -8.335 -9.549 308 1HB LYS 38 2HB LYS 38 -23.271 -7.069 -11.748 309 2HB LYS 38 1HB LYS 38 -21.525 -6.967 -11.523 310 1HG LYS 38 2HG LYS 38 -21.397 -9.449 -11.894 311 2HG LYS 38 1HG LYS 38 -23.116 -9.429 -12.292 312 1HD LYS 38 2HD LYS 38 -22.512 -8.956 -14.413 313 2HD LYS 38 1HD LYS 38 -22.025 -7.364 -13.829 314 1HE LYS 38 2HE LYS 38 -19.792 -7.877 -13.913 315 2HE LYS 38 1HE LYS 38 -20.060 -9.550 -13.382 316 1HZ LYS 38 1HZ LYS 38 -21.132 -9.949 -15.573 317 2HZ LYS 38 2HZ LYS 38 -19.472 -9.611 -15.679 318 3HZ LYS 38 3HZ LYS 38 -20.611 -8.413 -16.070 319 H CYS 39 H CYS 39 -24.942 -7.650 -9.277 320 HA CYS 39 HA CYS 39 -24.589 -4.905 -8.243 321 1HB CYS 39 2HB CYS 39 -26.739 -6.741 -9.150 322 2HB CYS 39 1HB CYS 39 -27.187 -5.681 -7.830 323 H ARG 40 H ARG 40 -25.346 -8.212 -7.231 324 HA ARG 40 HA ARG 40 -25.750 -7.565 -4.423 325 1HB ARG 40 2HB ARG 40 -25.201 -10.116 -5.975 326 2HB ARG 40 1HB ARG 40 -25.601 -10.087 -4.257 327 1HG ARG 40 2HG ARG 40 -27.770 -9.171 -4.682 328 2HG ARG 40 1HG ARG 40 -27.363 -8.817 -6.362 329 1HD ARG 40 2HD ARG 40 -28.728 -10.845 -6.310 330 2HD ARG 40 1HD ARG 40 -27.066 -11.311 -6.724 331 HE ARG 40 HE ARG 40 -27.100 -11.399 -3.954 332 1HH1 ARG 40 1HH2 ARG 40 -27.614 -13.477 -6.458 333 2HH1 ARG 40 2HH2 ARG 40 -28.627 -14.590 -5.600 334 1HH2 ARG 40 1HH1 ARG 40 -29.002 -12.531 -2.837 335 2HH2 ARG 40 2HH1 ARG 40 -29.412 -14.055 -3.551 336 H LEU 41 H LEU 41 -23.116 -8.625 -6.494 337 HA LEU 41 HA LEU 41 -21.176 -9.164 -4.436 338 1HB LEU 41 2HB LEU 41 -20.509 -10.060 -6.447 339 2HB LEU 41 1HB LEU 41 -21.339 -8.815 -7.374 340 HG LEU 41 HG LEU 41 -19.541 -7.247 -7.016 341 1HD1 LEU 41 1HD1 LEU 41 -17.580 -8.895 -5.727 342 2HD1 LEU 41 2HD1 LEU 41 -19.038 -8.879 -4.735 343 3HD1 LEU 41 3HD1 LEU 41 -18.254 -7.362 -5.175 344 1HD2 LEU 41 1HD2 LEU 41 -17.918 -8.247 -8.370 345 2HD2 LEU 41 2HD2 LEU 41 -19.323 -9.269 -8.680 346 3HD2 LEU 41 3HD2 LEU 41 -18.067 -9.810 -7.565 347 H THR 42 H THR 42 -22.194 -6.296 -6.176 348 HA THR 42 HA THR 42 -20.065 -4.568 -5.190 349 HB THR 42 HB THR 42 -22.783 -4.063 -6.414 350 HG1 THR 42 HG1 THR 42 -20.172 -4.151 -7.521 351 1HG2 THR 42 1HG2 THR 42 -20.442 -2.165 -6.425 352 2HG2 THR 42 2HG2 THR 42 -21.613 -2.157 -5.107 353 3HG2 THR 42 3HG2 THR 42 -22.138 -1.817 -6.757 354 H ALA 43 H ALA 43 -23.557 -4.251 -4.722 355 HA ALA 43 HA ALA 43 -23.663 -2.633 -2.485 356 1HB ALA 43 1HB ALA 43 -25.406 -4.159 -3.940 357 2HB ALA 43 2HB ALA 43 -25.859 -3.314 -2.460 358 3HB ALA 43 3HB ALA 43 -25.423 -5.022 -2.403 359 H ASP 44 H ASP 44 -22.719 -5.997 -2.674 360 HA ASP 44 HA ASP 44 -22.674 -6.453 0.218 361 1HB ASP 44 2HB ASP 44 -23.123 -8.210 -1.449 362 2HB ASP 44 1HB ASP 44 -21.541 -7.934 -2.179 363 H ARG 45 H ARG 45 -20.316 -5.776 -2.364 364 HA ARG 45 HA ARG 45 -17.912 -6.057 -0.894 365 1HB ARG 45 2HB ARG 45 -18.641 -5.420 -3.427 366 2HB ARG 45 1HB ARG 45 -18.174 -3.821 -2.843 367 1HG ARG 45 2HG ARG 45 -16.339 -6.084 -2.206 368 2HG ARG 45 1HG ARG 45 -16.385 -5.532 -3.882 369 1HD ARG 45 2HD ARG 45 -15.616 -3.380 -3.331 370 2HD ARG 45 1HD ARG 45 -16.119 -3.532 -1.636 371 HE ARG 45 HE ARG 45 -14.125 -4.739 -1.196 372 1HH1 ARG 45 1HH2 ARG 45 -13.454 -3.163 -3.902 373 2HH1 ARG 45 2HH2 ARG 45 -12.502 -4.386 -4.677 374 1HH2 ARG 45 1HH1 ARG 45 -13.456 -6.895 -2.482 375 2HH2 ARG 45 2HH1 ARG 45 -12.503 -6.498 -3.874 376 H GLN 46 H GLN 46 -20.359 -3.560 -0.804 377 HA GLN 46 HA GLN 46 -18.600 -1.719 0.732 378 1HB GLN 46 2HB GLN 46 -20.956 -1.590 -0.977 379 2HB GLN 46 1HB GLN 46 -21.202 -0.693 0.522 380 1HG GLN 46 2HG GLN 46 -18.549 -0.172 -0.440 381 2HG GLN 46 1HG GLN 46 -19.695 0.104 -1.753 382 1HE2 GLN 46 1HE2 GLN 46 -19.748 0.698 1.818 383 2HE2 GLN 46 2HE2 GLN 46 -20.282 2.304 1.684 384 H ARG 47 H ARG 47 -21.458 -3.778 1.117 385 HA ARG 47 HA ARG 47 -22.434 -2.938 3.610 386 1HB ARG 47 2HB ARG 47 -22.991 -4.898 1.853 387 2HB ARG 47 1HB ARG 47 -22.157 -5.860 3.075 388 1HG ARG 47 2HG ARG 47 -24.169 -5.931 4.121 389 2HG ARG 47 1HG ARG 47 -23.800 -4.278 4.616 390 1HD ARG 47 2HD ARG 47 -25.061 -3.350 2.795 391 2HD ARG 47 1HD ARG 47 -25.207 -4.935 2.009 392 HE ARG 47 HE ARG 47 -26.366 -4.475 4.728 393 1HH1 ARG 47 1HH2 ARG 47 -26.273 -6.754 2.371 394 2HH1 ARG 47 2HH2 ARG 47 -27.982 -6.857 2.104 395 1HH2 ARG 47 1HH1 ARG 47 -28.712 -4.038 3.988 396 2HH2 ARG 47 2HH1 ARG 47 -29.363 -5.318 3.017 397 H VAL 48 H VAL 48 -20.797 -2.331 5.099 398 HA VAL 48 HA VAL 48 -19.211 -4.610 6.223 399 HB VAL 48 HB VAL 48 -17.349 -2.913 6.479 400 1HG1 VAL 48 1HG1 VAL 48 -18.136 -4.416 4.252 401 2HG1 VAL 48 2HG1 VAL 48 -16.537 -3.727 4.539 402 3HG1 VAL 48 3HG1 VAL 48 -17.727 -2.830 3.595 403 1HG2 VAL 48 1HG2 VAL 48 -19.432 -1.153 5.694 404 2HG2 VAL 48 2HG2 VAL 48 -18.254 -1.159 4.381 405 3HG2 VAL 48 3HG2 VAL 48 -17.747 -0.745 6.018 406 H MET 49 H MET 49 -21.538 -4.007 7.451 407 HA MET 49 HA MET 49 -20.872 -2.088 9.650 408 1HB MET 49 2HB MET 49 -23.342 -2.998 8.238 409 2HB MET 49 1HB MET 49 -23.495 -2.509 9.926 410 1HG MET 49 2HG MET 49 -21.906 -0.722 8.156 411 2HG MET 49 1HG MET 49 -23.650 -0.744 7.900 412 1HE MET 49 1HE MET 49 -25.437 0.583 10.065 413 2HE MET 49 2HE MET 49 -24.993 -0.482 11.395 414 3HE MET 49 3HE MET 49 -25.115 -1.130 9.762 415 H ALA 50 H ALA 50 -23.386 -4.472 9.954 416 HA ALA 50 HA ALA 50 -21.678 -6.202 11.677 417 1HB ALA 50 1HB ALA 50 -23.819 -5.933 13.279 418 2HB ALA 50 2HB ALA 50 -23.900 -4.371 12.463 419 3HB ALA 50 3HB ALA 50 -22.450 -4.824 13.361 420 H LEU 51 H LEU 51 -25.216 -5.879 11.326 421 HA LEU 51 HA LEU 51 -25.417 -8.764 10.733 422 1HB LEU 51 2HB LEU 51 -27.367 -6.497 11.216 423 2HB LEU 51 1HB LEU 51 -27.893 -8.139 10.846 424 HG LEU 51 HG LEU 51 -26.068 -8.610 12.826 425 1HD1 LEU 51 1HD1 LEU 51 -26.431 -6.969 14.596 426 2HD1 LEU 51 2HD1 LEU 51 -27.515 -6.046 13.554 427 3HD1 LEU 51 3HD1 LEU 51 -25.797 -6.151 13.168 428 1HD2 LEU 51 1HD2 LEU 51 -27.988 -9.041 14.235 429 2HD2 LEU 51 2HD2 LEU 51 -28.451 -9.422 12.577 430 3HD2 LEU 51 3HD2 LEU 51 -28.979 -7.910 13.313 431 H GLN 52 H GLN 52 -26.180 -9.607 8.761 432 HA GLN 52 HA GLN 52 -26.776 -7.684 6.555 433 1HB GLN 52 2HB GLN 52 -24.391 -8.194 6.454 434 2HB GLN 52 1HB GLN 52 -24.726 -9.922 6.574 435 1HG GLN 52 2HG GLN 52 -25.793 -9.952 4.423 436 2HG GLN 52 1HG GLN 52 -25.793 -8.191 4.332 437 1HE2 GLN 52 1HE2 GLN 52 -24.582 -8.902 2.185 438 2HE2 GLN 52 2HE2 GLN 52 -22.892 -9.010 2.301 Start of MODEL 18 1 1H SER 1 1H SER 1 -11.654 5.954 -25.648 2 2H SER 1 2H SER 1 -12.180 4.825 -26.803 3 3H SER 1 3H SER 1 -12.175 4.418 -25.153 4 HA SER 1 HA SER 1 -14.029 6.189 -26.618 5 1HB SER 1 2HB SER 1 -14.191 3.633 -26.034 6 2HB SER 1 1HB SER 1 -14.555 4.210 -24.410 7 HG SER 1 HG SER 1 -16.095 5.655 -25.709 8 H ILE 2 H ILE 2 -12.747 8.047 -25.458 9 HA ILE 2 HA ILE 2 -12.737 9.695 -23.764 10 HB ILE 2 HB ILE 2 -15.340 8.229 -23.235 11 1HG1 ILE 2 2HG1 ILE 2 -14.950 10.903 -24.578 12 2HG1 ILE 2 1HG1 ILE 2 -14.840 9.401 -25.495 13 1HG2 ILE 2 1HG2 ILE 2 -14.923 9.444 -21.246 14 2HG2 ILE 2 2HG2 ILE 2 -15.940 10.520 -22.203 15 3HG2 ILE 2 3HG2 ILE 2 -14.200 10.793 -22.123 16 1HD1 ILE 2 1HD1 ILE 2 -17.112 10.038 -25.696 17 2HD1 ILE 2 2HD1 ILE 2 -17.215 10.507 -23.998 18 3HD1 ILE 2 3HD1 ILE 2 -17.114 8.801 -24.438 19 H SER 3 H SER 3 -12.756 9.921 -21.281 20 HA SER 3 HA SER 3 -11.611 7.429 -20.083 21 1HB SER 3 2HB SER 3 -10.042 8.826 -19.212 22 2HB SER 3 1HB SER 3 -10.664 10.019 -20.348 23 HG SER 3 HG SER 3 -11.291 11.095 -18.667 24 HA PRO 4 HA PRO 4 -14.623 7.320 -16.888 25 1HB PRO 4 2HB PRO 4 -13.237 7.391 -14.527 26 2HB PRO 4 1HB PRO 4 -13.239 5.983 -15.607 27 1HG PRO 4 2HG PRO 4 -11.175 8.092 -15.249 28 2HG PRO 4 1HG PRO 4 -10.981 6.357 -15.548 29 1HD PRO 4 2HD PRO 4 -10.693 8.283 -17.471 30 2HD PRO 4 1HD PRO 4 -11.147 6.600 -17.812 31 H ARG 5 H ARG 5 -14.884 8.502 -14.388 32 HA ARG 5 HA ARG 5 -14.736 11.437 -15.004 33 1HB ARG 5 2HB ARG 5 -16.914 9.605 -14.174 34 2HB ARG 5 1HB ARG 5 -16.882 11.164 -13.347 35 1HG ARG 5 2HG ARG 5 -16.445 11.320 -16.262 36 2HG ARG 5 1HG ARG 5 -18.045 10.745 -15.791 37 1HD ARG 5 2HD ARG 5 -18.630 12.759 -14.812 38 2HD ARG 5 1HD ARG 5 -16.958 13.133 -14.346 39 HE ARG 5 HE ARG 5 -16.901 13.110 -17.124 40 1HH1 ARG 5 1HH2 ARG 5 -19.612 14.242 -15.547 41 2HH1 ARG 5 2HH2 ARG 5 -19.483 15.877 -16.104 42 1HH2 ARG 5 1HH1 ARG 5 -16.330 15.441 -17.478 43 2HH2 ARG 5 2HH1 ARG 5 -17.624 16.556 -17.194 44 H THR 6 H THR 6 -15.042 12.731 -12.868 45 HA THR 6 HA THR 6 -12.989 11.866 -10.990 46 HB THR 6 HB THR 6 -14.725 14.264 -11.461 47 HG1 THR 6 HG1 THR 6 -12.417 13.557 -12.243 48 1HG2 THR 6 1HG2 THR 6 -13.313 15.222 -9.444 49 2HG2 THR 6 2HG2 THR 6 -13.306 13.537 -8.924 50 3HG2 THR 6 3HG2 THR 6 -14.837 14.386 -9.143 51 HA PRO 7 HA PRO 7 -16.692 11.806 -7.952 52 1HB PRO 7 2HB PRO 7 -19.214 11.810 -9.008 53 2HB PRO 7 1HB PRO 7 -18.338 13.295 -8.586 54 1HG PRO 7 2HG PRO 7 -18.737 12.027 -11.245 55 2HG PRO 7 1HG PRO 7 -18.727 13.741 -10.801 56 1HD PRO 7 2HD PRO 7 -16.625 12.466 -11.984 57 2HD PRO 7 1HD PRO 7 -16.448 13.893 -10.941 58 HA PRO 8 HA PRO 8 -17.144 7.464 -8.532 59 1HB PRO 8 2HB PRO 8 -18.491 6.876 -6.225 60 2HB PRO 8 1HB PRO 8 -16.766 7.287 -6.254 61 1HG PRO 8 2HG PRO 8 -19.101 8.976 -5.524 62 2HG PRO 8 1HG PRO 8 -17.480 8.920 -4.815 63 1HD PRO 8 2HD PRO 8 -18.320 10.853 -6.563 64 2HD PRO 8 1HD PRO 8 -16.621 10.377 -6.347 65 H ASN 9 H ASN 9 -18.613 6.932 -10.162 66 HA ASN 9 HA ASN 9 -21.408 7.737 -10.152 67 1HB ASN 9 2HB ASN 9 -21.493 6.270 -12.116 68 2HB ASN 9 1HB ASN 9 -20.042 7.272 -12.170 69 1HD2 ASN 9 1HD2 ASN 9 -17.966 6.221 -11.817 70 2HD2 ASN 9 2HD2 ASN 9 -17.808 4.531 -11.827 71 H CYS 10 H CYS 10 -23.206 6.325 -9.954 72 HA CYS 10 HA CYS 10 -23.367 4.703 -7.674 73 1HB CYS 10 2HB CYS 10 -25.276 5.639 -8.901 74 2HB CYS 10 1HB CYS 10 -24.890 4.673 -10.287 75 H ALA 11 H ALA 11 -22.787 2.549 -7.269 76 HA ALA 11 HA ALA 11 -21.405 1.119 -9.408 77 1HB ALA 11 1HB ALA 11 -20.823 1.296 -6.878 78 2HB ALA 11 2HB ALA 11 -20.595 -0.257 -7.684 79 3HB ALA 11 3HB ALA 11 -22.023 0.017 -6.684 80 H ARG 12 H ARG 12 -24.528 1.052 -7.930 81 HA ARG 12 HA ARG 12 -25.380 -1.610 -8.487 82 1HB ARG 12 2HB ARG 12 -26.497 0.237 -7.177 83 2HB ARG 12 1HB ARG 12 -26.884 1.014 -8.703 84 1HG ARG 12 2HG ARG 12 -28.771 -0.189 -8.657 85 2HG ARG 12 1HG ARG 12 -27.761 -1.562 -9.109 86 1HD ARG 12 2HD ARG 12 -29.119 -2.119 -7.116 87 2HD ARG 12 1HD ARG 12 -27.401 -2.039 -6.672 88 HE ARG 12 HE ARG 12 -29.042 0.429 -6.397 89 1HH1 ARG 12 1HH2 ARG 12 -26.186 -0.282 -5.336 90 2HH1 ARG 12 2HH2 ARG 12 -26.526 -0.403 -3.641 91 1HH2 ARG 12 1HH1 ARG 12 -29.964 -0.553 -4.074 92 2HH2 ARG 12 2HH1 ARG 12 -28.666 -0.553 -2.927 93 H CYS 13 H CYS 13 -25.597 1.328 -10.438 94 HA CYS 13 HA CYS 13 -26.586 -0.185 -12.737 95 1HB CYS 13 2HB CYS 13 -26.645 2.114 -13.742 96 2HB CYS 13 1HB CYS 13 -27.424 2.036 -12.180 97 H ARG 14 H ARG 14 -23.315 0.846 -11.706 98 HA ARG 14 HA ARG 14 -22.206 0.839 -14.399 99 1HB ARG 14 2HB ARG 14 -20.039 0.377 -13.176 100 2HB ARG 14 1HB ARG 14 -20.919 1.785 -12.586 101 1HG ARG 14 2HG ARG 14 -20.211 0.547 -10.659 102 2HG ARG 14 1HG ARG 14 -21.932 0.300 -10.841 103 1HD ARG 14 2HD ARG 14 -21.650 -1.928 -10.947 104 2HD ARG 14 1HD ARG 14 -20.502 -1.749 -12.286 105 HE ARG 14 HE ARG 14 -19.649 -1.315 -9.452 106 1HH1 ARG 14 1HH2 ARG 14 -18.032 -0.976 -12.141 107 2HH1 ARG 14 2HH2 ARG 14 -17.020 -2.379 -12.035 108 1HH2 ARG 14 1HH1 ARG 14 -18.875 -3.854 -9.505 109 2HH2 ARG 14 2HH1 ARG 14 -17.499 -4.007 -10.545 110 H ASN 15 H ASN 15 -23.072 -1.628 -12.134 111 HA ASN 15 HA ASN 15 -21.591 -3.849 -12.801 112 1HB ASN 15 2HB ASN 15 -24.530 -3.416 -12.276 113 2HB ASN 15 1HB ASN 15 -23.825 -5.023 -12.328 114 1HD2 ASN 15 1HD2 ASN 15 -24.763 -2.803 -10.176 115 2HD2 ASN 15 2HD2 ASN 15 -23.571 -2.948 -8.983 116 H HIS 16 H HIS 16 -24.195 -2.365 -14.571 117 HA HIS 16 HA HIS 16 -24.013 -4.392 -16.736 118 1HB HIS 16 2HB HIS 16 -25.953 -2.175 -16.034 119 2HB HIS 16 1HB HIS 16 -26.180 -3.333 -17.327 120 HD1 HIS 16 HD1 HIS 16 -26.958 -5.680 -16.741 121 HD2 HIS 16 HD2 HIS 16 -25.895 -3.390 -13.428 122 HE1 HIS 16 HE1 HIS 16 -27.606 -7.043 -14.690 123 H GLY 17 H GLY 17 -22.869 -1.248 -15.995 124 1HA GLY 17 2HA GLY 17 -21.196 -0.357 -17.633 125 2HA GLY 17 1HA GLY 17 -22.335 -0.792 -18.910 126 H LEU 18 H LEU 18 -23.292 0.664 -15.868 127 HA LEU 18 HA LEU 18 -24.292 3.027 -17.399 128 1HB LEU 18 2HB LEU 18 -25.497 1.242 -15.703 129 2HB LEU 18 1HB LEU 18 -25.096 2.555 -14.597 130 HG LEU 18 HG LEU 18 -27.338 2.865 -15.580 131 1HD1 LEU 18 1HD1 LEU 18 -25.361 4.729 -15.314 132 2HD1 LEU 18 2HD1 LEU 18 -27.036 5.109 -15.714 133 3HD1 LEU 18 3HD1 LEU 18 -25.834 4.967 -16.996 134 1HD2 LEU 18 1HD2 LEU 18 -26.817 3.652 -18.202 135 2HD2 LEU 18 2HD2 LEU 18 -27.589 2.144 -17.712 136 3HD2 LEU 18 3HD2 LEU 18 -25.851 2.190 -18.007 137 H LYS 19 H LYS 19 -23.935 5.157 -16.469 138 HA LYS 19 HA LYS 19 -22.046 5.406 -14.205 139 1HB LYS 19 2HB LYS 19 -21.539 6.268 -17.069 140 2HB LYS 19 1HB LYS 19 -20.600 6.882 -15.707 141 1HG LYS 19 2HG LYS 19 -20.898 3.954 -16.446 142 2HG LYS 19 1HG LYS 19 -19.484 4.948 -16.788 143 1HD LYS 19 2HD LYS 19 -19.780 5.404 -14.115 144 2HD LYS 19 1HD LYS 19 -20.369 3.746 -14.230 145 1HE LYS 19 2HE LYS 19 -18.030 3.902 -15.852 146 2HE LYS 19 1HE LYS 19 -17.646 4.651 -14.290 147 1HZ LYS 19 1HZ LYS 19 -19.056 2.637 -13.413 148 2HZ LYS 19 2HZ LYS 19 -17.398 2.462 -13.742 149 3HZ LYS 19 3HZ LYS 19 -18.551 1.922 -14.866 150 H ILE 20 H ILE 20 -23.861 6.427 -13.205 151 HA ILE 20 HA ILE 20 -24.896 8.918 -14.458 152 HB ILE 20 HB ILE 20 -26.856 8.326 -13.462 153 1HG1 ILE 20 2HG1 ILE 20 -25.679 8.927 -11.195 154 2HG1 ILE 20 1HG1 ILE 20 -27.221 8.114 -11.248 155 1HG2 ILE 20 1HG2 ILE 20 -25.485 5.749 -12.792 156 2HG2 ILE 20 2HG2 ILE 20 -26.038 6.194 -14.400 157 3HG2 ILE 20 3HG2 ILE 20 -27.203 6.002 -13.094 158 1HD1 ILE 20 1HD1 ILE 20 -26.150 5.955 -11.043 159 2HD1 ILE 20 2HD1 ILE 20 -25.661 7.015 -9.731 160 3HD1 ILE 20 3HD1 ILE 20 -24.569 6.726 -11.075 161 H THR 21 H THR 21 -22.494 8.048 -12.290 162 HA THR 21 HA THR 21 -21.090 9.474 -10.978 163 HB THR 21 HB THR 21 -23.202 11.611 -11.138 164 HG1 THR 21 HG1 THR 21 -23.098 11.468 -13.217 165 1HG2 THR 21 1HG2 THR 21 -21.510 12.776 -10.224 166 2HG2 THR 21 2HG2 THR 21 -20.595 12.539 -11.714 167 3HG2 THR 21 3HG2 THR 21 -20.426 11.394 -10.383 168 H LEU 22 H LEU 22 -24.129 8.393 -10.328 169 HA LEU 22 HA LEU 22 -25.386 7.969 -8.367 170 1HB LEU 22 2HB LEU 22 -23.490 6.742 -7.729 171 2HB LEU 22 1HB LEU 22 -22.510 8.188 -7.503 172 HG LEU 22 HG LEU 22 -23.722 8.782 -5.501 173 1HD1 LEU 22 1HD1 LEU 22 -25.776 7.191 -6.715 174 2HD1 LEU 22 2HD1 LEU 22 -25.894 8.221 -5.287 175 3HD1 LEU 22 3HD1 LEU 22 -25.430 6.528 -5.119 176 1HD2 LEU 22 1HD2 LEU 22 -23.627 6.266 -4.412 177 2HD2 LEU 22 2HD2 LEU 22 -22.221 7.310 -4.626 178 3HD2 LEU 22 3HD2 LEU 22 -22.594 6.075 -5.828 179 H LYS 23 H LYS 23 -24.568 10.973 -9.149 180 HA LYS 23 HA LYS 23 -24.778 12.359 -6.592 181 1HB LYS 23 2HB LYS 23 -23.684 13.403 -8.489 182 2HB LYS 23 1HB LYS 23 -25.109 13.169 -9.500 183 1HG LYS 23 2HG LYS 23 -25.883 15.172 -8.832 184 2HG LYS 23 1HG LYS 23 -25.962 14.565 -7.177 185 1HD LYS 23 2HD LYS 23 -23.310 15.038 -7.344 186 2HD LYS 23 1HD LYS 23 -23.892 16.257 -8.477 187 1HE LYS 23 2HE LYS 23 -25.636 16.382 -6.248 188 2HE LYS 23 1HE LYS 23 -23.987 16.311 -5.593 189 1HZ LYS 23 1HZ LYS 23 -25.041 18.179 -7.643 190 2HZ LYS 23 2HZ LYS 23 -23.381 17.975 -7.345 191 3HZ LYS 23 3HZ LYS 23 -24.400 18.570 -6.122 192 H GLY 24 H GLY 24 -26.717 12.142 -5.440 193 1HA GLY 24 2HA GLY 24 -29.044 11.902 -5.073 194 2HA GLY 24 1HA GLY 24 -29.189 13.153 -6.318 195 H HIS 25 H HIS 25 -28.448 9.671 -6.067 196 HA HIS 25 HA HIS 25 -30.058 9.239 -8.565 197 1HB HIS 25 2HB HIS 25 -27.677 9.237 -8.975 198 2HB HIS 25 1HB HIS 25 -27.395 8.162 -7.613 199 HD1 HIS 25 HD1 HIS 25 -29.436 8.056 -10.853 200 HD2 HIS 25 HD2 HIS 25 -27.032 5.601 -8.508 201 HE1 HIS 25 HE1 HIS 25 -29.039 5.921 -12.160 202 H LYS 26 H LYS 26 -28.455 6.554 -7.106 203 HA LYS 26 HA LYS 26 -29.393 4.555 -6.265 204 1HB LYS 26 2HB LYS 26 -29.074 5.944 -4.278 205 2HB LYS 26 1HB LYS 26 -30.621 6.745 -4.553 206 1HG LYS 26 2HG LYS 26 -31.685 4.419 -4.401 207 2HG LYS 26 1HG LYS 26 -30.133 3.866 -3.767 208 1HD LYS 26 2HD LYS 26 -30.278 5.577 -1.975 209 2HD LYS 26 1HD LYS 26 -31.858 6.066 -2.590 210 1HE LYS 26 2HE LYS 26 -32.633 4.522 -1.075 211 2HE LYS 26 1HE LYS 26 -32.201 3.352 -2.339 212 1HZ LYS 26 1HZ LYS 26 -29.951 3.274 -1.411 213 2HZ LYS 26 2HZ LYS 26 -31.110 2.763 -0.279 214 3HZ LYS 26 3HZ LYS 26 -30.426 4.313 -0.158 215 H ARG 27 H ARG 27 -32.276 6.296 -5.300 216 HA ARG 27 HA ARG 27 -34.149 4.519 -6.360 217 1HB ARG 27 2HB ARG 27 -34.613 6.386 -4.810 218 2HB ARG 27 1HB ARG 27 -34.307 7.543 -6.105 219 1HG ARG 27 2HG ARG 27 -36.347 7.212 -7.042 220 2HG ARG 27 1HG ARG 27 -36.266 5.465 -6.813 221 1HD ARG 27 2HD ARG 27 -36.680 5.934 -4.312 222 2HD ARG 27 1HD ARG 27 -37.155 7.566 -4.825 223 HE ARG 27 HE ARG 27 -38.497 5.817 -6.556 224 1HH1 ARG 27 1HH2 ARG 27 -38.141 5.857 -3.150 225 2HH1 ARG 27 2HH2 ARG 27 -39.823 5.598 -2.827 226 1HH2 ARG 27 1HH1 ARG 27 -40.755 5.729 -6.164 227 2HH2 ARG 27 2HH1 ARG 27 -41.303 5.527 -4.533 228 H TYR 28 H TYR 28 -32.246 6.921 -8.036 229 HA TYR 28 HA TYR 28 -33.893 6.802 -10.491 230 1HB TYR 28 2HB TYR 28 -31.199 8.096 -9.970 231 2HB TYR 28 1HB TYR 28 -32.355 8.516 -11.237 232 HD1 TYR 28 HD1 TYR 28 -31.295 10.542 -9.325 233 HD2 TYR 28 HD2 TYR 28 -34.704 7.946 -9.039 234 HE1 TYR 28 HE1 TYR 28 -32.389 12.149 -7.784 235 HE2 TYR 28 HE2 TYR 28 -35.799 9.554 -7.500 236 HH TYR 28 HH TYR 28 -35.663 11.532 -6.507 237 H CYS 29 H CYS 29 -31.771 4.723 -9.111 238 HA CYS 29 HA CYS 29 -29.981 4.152 -11.340 239 1HB CYS 29 2HB CYS 29 -29.605 3.745 -8.844 240 2HB CYS 29 1HB CYS 29 -30.733 2.408 -8.983 241 H LYS 30 H LYS 30 -30.579 2.980 -13.144 242 HA LYS 30 HA LYS 30 -33.132 1.666 -13.399 243 1HB LYS 30 2HB LYS 30 -31.160 2.471 -15.079 244 2HB LYS 30 1HB LYS 30 -30.777 0.752 -14.987 245 1HG LYS 30 2HG LYS 30 -33.628 1.112 -15.286 246 2HG LYS 30 1HG LYS 30 -32.771 1.962 -16.572 247 1HD LYS 30 2HD LYS 30 -31.481 -0.093 -17.060 248 2HD LYS 30 1HD LYS 30 -32.375 -0.943 -15.801 249 1HE LYS 30 2HE LYS 30 -34.316 0.303 -17.464 250 2HE LYS 30 1HE LYS 30 -33.153 -0.507 -18.533 251 1HZ LYS 30 1HZ LYS 30 -34.773 -2.108 -17.816 252 2HZ LYS 30 2HZ LYS 30 -34.532 -1.696 -16.185 253 3HZ LYS 30 3HZ LYS 30 -33.297 -2.466 -17.062 254 H PHE 31 H PHE 31 -30.198 0.872 -11.853 255 HA PHE 31 HA PHE 31 -30.838 -2.042 -11.658 256 1HB PHE 31 2HB PHE 31 -28.310 -0.425 -11.119 257 2HB PHE 31 1HB PHE 31 -28.386 -2.191 -11.192 258 HD1 PHE 31 HD1 PHE 31 -28.746 0.939 -13.135 259 HD2 PHE 31 HD2 PHE 31 -28.553 -3.344 -13.298 260 HE1 PHE 31 HE1 PHE 31 -28.545 1.047 -15.594 261 HE2 PHE 31 HE2 PHE 31 -28.366 -3.242 -15.759 262 HZ PHE 31 HZ PHE 31 -28.352 -1.046 -16.918 263 H ARG 32 H ARG 32 -31.545 0.704 -10.082 264 HA ARG 32 HA ARG 32 -30.674 0.702 -7.469 265 1HB ARG 32 2HB ARG 32 -32.584 1.993 -7.060 266 2HB ARG 32 1HB ARG 32 -32.475 2.091 -8.812 267 1HG ARG 32 2HG ARG 32 -34.153 0.031 -7.366 268 2HG ARG 32 1HG ARG 32 -34.784 1.571 -7.936 269 1HD ARG 32 2HD ARG 32 -33.333 0.354 -10.097 270 2HD ARG 32 1HD ARG 32 -34.481 -0.829 -9.445 271 HE ARG 32 HE ARG 32 -35.344 1.965 -10.087 272 1HH1 ARG 32 1HH2 ARG 32 -35.264 -1.103 -11.409 273 2HH1 ARG 32 2HH2 ARG 32 -36.970 -1.232 -11.682 274 1HH2 ARG 32 1HH1 ARG 32 -37.734 1.665 -9.930 275 2HH2 ARG 32 2HH1 ARG 32 -38.368 0.339 -10.848 276 H TYR 33 H TYR 33 -32.827 -1.583 -8.992 277 HA TYR 33 HA TYR 33 -32.952 -3.110 -6.406 278 1HB TYR 33 2HB TYR 33 -35.020 -2.642 -8.567 279 2HB TYR 33 1HB TYR 33 -35.211 -3.867 -7.313 280 HD1 TYR 33 HD1 TYR 33 -36.635 -1.005 -8.006 281 HD2 TYR 33 HD2 TYR 33 -33.970 -2.493 -4.982 282 HE1 TYR 33 HE1 TYR 33 -37.436 0.742 -6.440 283 HE2 TYR 33 HE2 TYR 33 -34.771 -0.747 -3.417 284 HH TYR 33 HH TYR 33 -37.494 1.322 -4.210 285 H CYS 34 H CYS 34 -31.590 -3.178 -9.416 286 HA CYS 34 HA CYS 34 -32.125 -5.626 -10.627 287 1HB CYS 34 2HB CYS 34 -30.409 -3.905 -11.308 288 2HB CYS 34 1HB CYS 34 -29.386 -4.492 -9.994 289 H THR 35 H THR 35 -30.769 -7.705 -10.383 290 HA THR 35 HA THR 35 -29.994 -8.235 -7.548 291 HB THR 35 HB THR 35 -31.313 -10.450 -7.931 292 HG1 THR 35 HG1 THR 35 -31.589 -9.506 -10.253 293 1HG2 THR 35 1HG2 THR 35 -33.282 -8.255 -7.846 294 2HG2 THR 35 2HG2 THR 35 -31.938 -8.080 -6.716 295 3HG2 THR 35 3HG2 THR 35 -32.954 -9.521 -6.663 296 H CYS 36 H CYS 36 -29.055 -8.354 -10.740 297 HA CYS 36 HA CYS 36 -28.005 -10.892 -11.243 298 1HB CYS 36 2HB CYS 36 -26.448 -9.753 -12.665 299 2HB CYS 36 1HB CYS 36 -27.906 -8.759 -12.631 300 H GLU 37 H GLU 37 -25.527 -11.481 -10.948 301 HA GLU 37 HA GLU 37 -24.980 -11.399 -8.074 302 1HB GLU 37 2HB GLU 37 -23.197 -12.953 -8.694 303 2HB GLU 37 1HB GLU 37 -24.666 -13.371 -9.576 304 1HG GLU 37 2HG GLU 37 -23.777 -12.791 -11.592 305 2HG GLU 37 1HG GLU 37 -22.905 -11.413 -10.923 306 H LYS 38 H LYS 38 -24.337 -9.174 -10.468 307 HA LYS 38 HA LYS 38 -21.668 -8.403 -9.356 308 1HB LYS 38 2HB LYS 38 -23.274 -7.671 -11.826 309 2HB LYS 38 1HB LYS 38 -21.794 -6.820 -11.376 310 1HG LYS 38 2HG LYS 38 -20.480 -8.810 -11.571 311 2HG LYS 38 1HG LYS 38 -21.915 -9.827 -11.681 312 1HD LYS 38 2HD LYS 38 -22.074 -7.840 -13.733 313 2HD LYS 38 1HD LYS 38 -20.479 -8.590 -13.812 314 1HE LYS 38 2HE LYS 38 -21.450 -10.804 -13.980 315 2HE LYS 38 1HE LYS 38 -23.076 -10.160 -13.673 316 1HZ LYS 38 1HZ LYS 38 -22.934 -8.835 -15.651 317 2HZ LYS 38 2HZ LYS 38 -22.596 -10.448 -16.066 318 3HZ LYS 38 3HZ LYS 38 -21.333 -9.320 -15.927 319 H CYS 39 H CYS 39 -24.996 -7.695 -9.234 320 HA CYS 39 HA CYS 39 -24.660 -4.900 -8.314 321 1HB CYS 39 2HB CYS 39 -26.785 -6.750 -9.231 322 2HB CYS 39 1HB CYS 39 -27.271 -5.661 -7.949 323 H ARG 40 H ARG 40 -25.658 -8.130 -7.195 324 HA ARG 40 HA ARG 40 -26.112 -7.379 -4.441 325 1HB ARG 40 2HB ARG 40 -26.049 -9.761 -6.159 326 2HB ARG 40 1HB ARG 40 -25.457 -10.086 -4.529 327 1HG ARG 40 2HG ARG 40 -27.491 -9.506 -3.531 328 2HG ARG 40 1HG ARG 40 -27.997 -8.522 -4.904 329 1HD ARG 40 2HD ARG 40 -28.683 -10.373 -6.152 330 2HD ARG 40 1HD ARG 40 -27.592 -11.479 -5.295 331 HE ARG 40 HE ARG 40 -29.176 -10.766 -3.253 332 1HH1 ARG 40 1HH2 ARG 40 -29.767 -13.297 -4.802 333 2HH1 ARG 40 2HH2 ARG 40 -31.438 -13.076 -5.203 334 1HH2 ARG 40 1HH1 ARG 40 -31.434 -9.681 -4.511 335 2HH2 ARG 40 2HH1 ARG 40 -32.380 -11.034 -5.035 336 H LEU 41 H LEU 41 -23.396 -8.615 -6.315 337 HA LEU 41 HA LEU 41 -21.557 -8.947 -4.110 338 1HB LEU 41 2HB LEU 41 -20.909 -10.088 -6.032 339 2HB LEU 41 1HB LEU 41 -21.517 -8.824 -7.096 340 HG LEU 41 HG LEU 41 -19.611 -7.454 -6.738 341 1HD1 LEU 41 1HD1 LEU 41 -17.950 -8.949 -4.989 342 2HD1 LEU 41 2HD1 LEU 41 -19.535 -8.855 -4.220 343 3HD1 LEU 41 3HD1 LEU 41 -18.690 -7.377 -4.682 344 1HD2 LEU 41 1HD2 LEU 41 -17.988 -9.876 -6.689 345 2HD2 LEU 41 2HD2 LEU 41 -18.241 -8.728 -8.003 346 3HD2 LEU 41 3HD2 LEU 41 -19.383 -10.049 -7.753 347 H THR 42 H THR 42 -22.370 -6.331 -6.312 348 HA THR 42 HA THR 42 -20.329 -4.469 -5.496 349 HB THR 42 HB THR 42 -23.029 -4.314 -6.829 350 HG1 THR 42 HG1 THR 42 -20.754 -5.023 -7.689 351 1HG2 THR 42 1HG2 THR 42 -22.937 -2.177 -5.868 352 2HG2 THR 42 2HG2 THR 42 -22.173 -1.926 -7.438 353 3HG2 THR 42 3HG2 THR 42 -21.180 -2.095 -5.991 354 H ALA 43 H ALA 43 -23.816 -4.163 -4.939 355 HA ALA 43 HA ALA 43 -23.843 -2.336 -2.849 356 1HB ALA 43 1HB ALA 43 -25.962 -3.487 -2.199 357 2HB ALA 43 2HB ALA 43 -25.496 -4.865 -3.198 358 3HB ALA 43 3HB ALA 43 -25.829 -3.304 -3.948 359 H ASP 44 H ASP 44 -22.889 -5.695 -2.810 360 HA ASP 44 HA ASP 44 -22.768 -5.951 0.103 361 1HB ASP 44 2HB ASP 44 -23.217 -7.836 -1.409 362 2HB ASP 44 1HB ASP 44 -21.677 -7.569 -2.227 363 H ARG 45 H ARG 45 -20.527 -5.289 -2.566 364 HA ARG 45 HA ARG 45 -18.063 -5.453 -1.146 365 1HB ARG 45 2HB ARG 45 -18.927 -4.950 -3.699 366 2HB ARG 45 1HB ARG 45 -18.360 -3.353 -3.211 367 1HG ARG 45 2HG ARG 45 -16.187 -3.996 -3.234 368 2HG ARG 45 1HG ARG 45 -16.543 -5.520 -2.421 369 1HD ARG 45 2HD ARG 45 -16.632 -6.668 -4.387 370 2HD ARG 45 1HD ARG 45 -17.561 -5.386 -5.188 371 HE ARG 45 HE ARG 45 -14.679 -5.655 -5.263 372 1HH1 ARG 45 1HH2 ARG 45 -16.759 -4.149 -7.068 373 2HH1 ARG 45 2HH2 ARG 45 -16.128 -2.541 -6.954 374 1HH2 ARG 45 1HH1 ARG 45 -14.076 -3.256 -4.250 375 2HH2 ARG 45 2HH1 ARG 45 -14.608 -2.035 -5.356 376 H GLN 46 H GLN 46 -20.598 -3.063 -1.101 377 HA GLN 46 HA GLN 46 -18.836 -1.081 0.267 378 1HB GLN 46 2HB GLN 46 -21.525 -1.065 -1.097 379 2HB GLN 46 1HB GLN 46 -21.058 0.264 -0.034 380 1HG GLN 46 2HG GLN 46 -18.815 0.130 -1.489 381 2HG GLN 46 1HG GLN 46 -19.935 -0.531 -2.682 382 1HE2 GLN 46 1HE2 GLN 46 -19.241 2.352 -0.708 383 2HE2 GLN 46 2HE2 GLN 46 -20.215 3.410 -1.610 384 H ARG 47 H ARG 47 -22.131 -2.449 0.689 385 HA ARG 47 HA ARG 47 -22.346 -1.640 3.452 386 1HB ARG 47 2HB ARG 47 -24.050 -2.411 1.525 387 2HB ARG 47 1HB ARG 47 -23.874 -3.958 2.353 388 1HG ARG 47 2HG ARG 47 -24.414 -2.800 4.510 389 2HG ARG 47 1HG ARG 47 -24.739 -1.330 3.593 390 1HD ARG 47 2HD ARG 47 -26.133 -3.935 2.936 391 2HD ARG 47 1HD ARG 47 -26.786 -2.796 4.132 392 HE ARG 47 HE ARG 47 -26.012 -1.547 1.593 393 1HH1 ARG 47 1HH2 ARG 47 -28.226 -0.762 3.591 394 2HH1 ARG 47 2HH2 ARG 47 -29.638 -1.089 2.641 395 1HH2 ARG 47 1HH1 ARG 47 -27.940 -2.985 0.286 396 2HH2 ARG 47 2HH1 ARG 47 -29.476 -2.348 0.771 397 H VAL 48 H VAL 48 -21.342 -2.599 5.175 398 HA VAL 48 HA VAL 48 -20.416 -5.437 4.871 399 HB VAL 48 HB VAL 48 -19.351 -3.292 6.727 400 1HG1 VAL 48 1HG1 VAL 48 -18.208 -5.085 7.498 401 2HG1 VAL 48 2HG1 VAL 48 -17.332 -5.053 5.968 402 3HG1 VAL 48 3HG1 VAL 48 -18.742 -6.093 6.154 403 1HG2 VAL 48 1HG2 VAL 48 -18.853 -2.284 4.701 404 2HG2 VAL 48 2HG2 VAL 48 -18.857 -3.814 3.821 405 3HG2 VAL 48 3HG2 VAL 48 -17.477 -3.379 4.829 406 H MET 49 H MET 49 -22.735 -5.910 5.634 407 HA MET 49 HA MET 49 -22.895 -5.692 8.624 408 1HB MET 49 2HB MET 49 -25.363 -5.665 8.237 409 2HB MET 49 1HB MET 49 -24.549 -4.314 7.447 410 1HG MET 49 2HG MET 49 -24.862 -5.183 5.323 411 2HG MET 49 1HG MET 49 -24.902 -6.851 5.899 412 1HE MET 49 1HE MET 49 -26.395 -6.142 3.857 413 2HE MET 49 2HE MET 49 -27.578 -4.844 4.002 414 3HE MET 49 3HE MET 49 -28.101 -6.522 4.123 415 H ALA 50 H ALA 50 -25.172 -7.454 8.764 416 HA ALA 50 HA ALA 50 -23.917 -10.055 7.939 417 1HB ALA 50 1HB ALA 50 -25.128 -9.022 10.474 418 2HB ALA 50 2HB ALA 50 -23.713 -10.053 10.250 419 3HB ALA 50 3HB ALA 50 -25.333 -10.733 10.104 420 H LEU 51 H LEU 51 -27.007 -9.944 9.539 421 HA LEU 51 HA LEU 51 -28.571 -9.888 7.060 422 1HB LEU 51 2HB LEU 51 -29.188 -12.194 7.053 423 2HB LEU 51 1HB LEU 51 -27.441 -12.179 7.260 424 HG LEU 51 HG LEU 51 -28.218 -13.753 8.847 425 1HD1 LEU 51 1HD1 LEU 51 -28.074 -11.193 10.446 426 2HD1 LEU 51 2HD1 LEU 51 -26.661 -11.974 9.742 427 3HD1 LEU 51 3HD1 LEU 51 -27.615 -12.814 10.963 428 1HD2 LEU 51 1HD2 LEU 51 -30.636 -12.544 8.631 429 2HD2 LEU 51 2HD2 LEU 51 -30.144 -11.966 10.222 430 3HD2 LEU 51 3HD2 LEU 51 -30.241 -13.698 9.904 431 H GLN 52 H GLN 52 -30.953 -10.650 7.700 432 HA GLN 52 HA GLN 52 -31.564 -9.817 10.505 433 1HB GLN 52 2HB GLN 52 -31.646 -8.060 8.461 434 2HB GLN 52 1HB GLN 52 -33.254 -8.763 8.286 435 1HG GLN 52 2HG GLN 52 -33.488 -8.374 10.833 436 2HG GLN 52 1HG GLN 52 -32.097 -7.303 10.658 437 1HE2 GLN 52 1HE2 GLN 52 -35.131 -7.896 8.775 438 2HE2 GLN 52 2HE2 GLN 52 -35.516 -6.252 8.607
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