NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27789 | 2rpj | 11346 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 21 H1 GLY 21 1.811 -0.001 0.854 2 HA2 GLY 21 HA2 GLY 21 2.867 0.729 -1.180 3 HA3 GLY 21 HA3 GLY 21 2.504 -0.977 -1.396 4 H SER 22 H SER 22 0.417 1.902 -1.474 5 HA SER 22 HA SER 22 -0.753 0.940 -3.959 6 HB2 SER 22 HB2 SER 22 -2.137 3.181 -3.496 7 HB3 SER 22 HB3 SER 22 -2.500 1.669 -2.665 8 HG SER 22 HG SER 22 -1.517 2.405 -0.865 9 H SER 23 H SER 23 0.984 3.771 -2.735 10 HA SER 23 HA SER 23 0.938 5.230 -5.159 11 HB2 SER 23 HB2 SER 23 1.853 5.665 -2.542 12 HB3 SER 23 HB3 SER 23 3.283 5.808 -3.565 13 HG SER 23 HG SER 23 0.827 7.167 -3.996 14 H GLY 24 H GLY 24 1.906 4.724 -7.002 15 HA2 GLY 24 HA2 GLY 24 4.411 4.474 -7.722 16 HA3 GLY 24 HA3 GLY 24 4.204 2.906 -6.956 17 H SER 25 H SER 25 2.252 1.645 -7.777 18 HA SER 25 HA SER 25 2.308 1.762 -10.705 19 HB2 SER 25 HB2 SER 25 2.909 -0.398 -10.092 20 HB3 SER 25 HB3 SER 25 1.809 -0.422 -8.713 21 HG SER 25 HG SER 25 1.386 -1.302 -11.198 22 H SER 26 H SER 26 0.454 1.814 -11.944 23 HA SER 26 HA SER 26 -2.153 1.826 -10.690 24 HB2 SER 26 HB2 SER 26 -1.422 4.284 -12.260 25 HB3 SER 26 HB3 SER 26 -2.763 4.045 -11.140 26 HG SER 26 HG SER 26 -0.829 5.301 -10.409 27 H GLY 27 H GLY 27 -3.698 2.852 -12.659 28 HA2 GLY 27 HA2 GLY 27 -4.266 2.682 -14.941 29 HA3 GLY 27 HA3 GLY 27 -2.862 1.655 -15.191 30 H GLU 28 H GLU 28 -3.090 -0.521 -15.130 31 HA GLU 28 HA GLU 28 -5.314 -1.806 -13.866 32 HB2 GLU 28 HB2 GLU 28 -6.178 -0.831 -16.107 33 HB3 GLU 28 HB3 GLU 28 -5.241 -2.118 -16.853 34 HG2 GLU 28 HG2 GLU 28 -7.077 -3.351 -16.637 35 HG3 GLU 28 HG3 GLU 28 -6.647 -3.461 -14.931 36 H GLN 29 H GLN 29 -4.908 -3.932 -13.491 37 HA GLN 29 HA GLN 29 -2.265 -4.889 -14.098 38 HB2 GLN 29 HB2 GLN 29 -3.801 -5.253 -11.965 39 HB3 GLN 29 HB3 GLN 29 -4.332 -6.659 -12.879 40 HG2 GLN 29 HG2 GLN 29 -2.061 -7.481 -12.997 41 HG3 GLN 29 HG3 GLN 29 -1.473 -6.039 -12.172 42 HE21 GLN 29 HE21 GLN 29 -2.701 -5.637 -10.032 43 HE22 GLN 29 HE22 GLN 29 -2.855 -7.017 -9.005 44 H ALA 30 H ALA 30 -2.017 -5.398 -16.217 45 HA ALA 30 HA ALA 30 -4.002 -7.120 -17.506 46 HB1 ALA 30 HB1 ALA 30 -2.094 -5.124 -18.424 47 HB2 ALA 30 HB2 ALA 30 -2.063 -6.601 -19.388 48 HB3 ALA 30 HB3 ALA 30 -3.573 -5.713 -19.184 49 HA PRO 31 HA PRO 31 -1.611 -10.794 -17.325 50 HB2 PRO 31 HB2 PRO 31 -2.023 -11.881 -19.778 51 HB3 PRO 31 HB3 PRO 31 -3.274 -11.823 -18.531 52 HG2 PRO 31 HG2 PRO 31 -2.861 -10.021 -20.885 53 HG3 PRO 31 HG3 PRO 31 -4.368 -10.711 -20.255 54 HD2 PRO 31 HD2 PRO 31 -3.609 -8.162 -19.749 55 HD3 PRO 31 HD3 PRO 31 -4.543 -9.128 -18.589 56 H GLY 32 H GLY 32 -0.035 -12.161 -18.834 57 HA2 GLY 32 HA2 GLY 32 1.836 -10.276 -20.123 58 HA3 GLY 32 HA3 GLY 32 2.401 -11.484 -18.979 59 H THR 33 H THR 33 0.780 -13.638 -19.825 60 HA THR 33 HA THR 33 1.845 -14.117 -22.533 61 HB THR 33 HB THR 33 3.048 -15.400 -20.762 62 HG1 THR 33 HG1 THR 33 2.481 -16.169 -23.042 63 HG21 THR 33 HG21 THR 33 1.996 -16.625 -19.213 64 HG22 THR 33 HG22 THR 33 0.937 -17.370 -20.410 65 HG23 THR 33 HG23 THR 33 0.519 -15.803 -19.716 66 H ALA 34 H ALA 34 -0.827 -13.172 -21.618 67 HA ALA 34 HA ALA 34 -2.399 -14.829 -23.328 68 HB1 ALA 34 HB1 ALA 34 -2.599 -15.184 -20.392 69 HB2 ALA 34 HB2 ALA 34 -4.102 -15.165 -21.315 70 HB3 ALA 34 HB3 ALA 34 -2.848 -16.345 -21.696 71 HA PRO 35 HA PRO 35 -3.676 -10.378 -22.791 72 HB2 PRO 35 HB2 PRO 35 -3.554 -9.768 -25.433 73 HB3 PRO 35 HB3 PRO 35 -2.159 -9.649 -24.355 74 HG2 PRO 35 HG2 PRO 35 -2.891 -11.828 -26.273 75 HG3 PRO 35 HG3 PRO 35 -1.306 -11.095 -25.964 76 HD2 PRO 35 HD2 PRO 35 -2.039 -13.480 -24.911 77 HD3 PRO 35 HD3 PRO 35 -0.952 -12.358 -24.068 78 H CYS 36 H CYS 36 -5.680 -11.617 -22.237 79 HA CYS 36 HA CYS 36 -7.603 -11.418 -24.453 80 HB2 CYS 36 HB2 CYS 36 -7.605 -13.609 -22.367 81 HB3 CYS 36 HB3 CYS 36 -8.738 -13.432 -23.703 82 H SER 37 H SER 37 -9.913 -11.975 -23.158 83 HA SER 37 HA SER 37 -10.053 -9.815 -21.165 84 HB2 SER 37 HB2 SER 37 -12.273 -9.383 -21.864 85 HB3 SER 37 HB3 SER 37 -11.374 -9.654 -23.356 86 HG SER 37 HG SER 37 -12.393 -11.511 -23.658 87 H ARG 38 H ARG 38 -12.458 -10.297 -20.007 88 HA ARG 38 HA ARG 38 -11.832 -12.330 -18.131 89 HB2 ARG 38 HB2 ARG 38 -14.438 -10.857 -18.563 90 HB3 ARG 38 HB3 ARG 38 -14.019 -11.803 -17.141 91 HG2 ARG 38 HG2 ARG 38 -11.940 -9.950 -17.488 92 HG3 ARG 38 HG3 ARG 38 -13.448 -9.064 -17.728 93 HD2 ARG 38 HD2 ARG 38 -13.381 -8.901 -15.477 94 HD3 ARG 38 HD3 ARG 38 -14.104 -10.507 -15.559 95 HE ARG 38 HE ARG 38 -12.163 -11.389 -14.720 96 HH11 ARG 38 HH11 ARG 38 -11.578 -8.126 -15.783 97 HH12 ARG 38 HH12 ARG 38 -9.986 -8.051 -15.103 98 HH21 ARG 38 HH21 ARG 38 -10.069 -11.303 -13.821 99 HH22 ARG 38 HH22 ARG 38 -9.128 -9.859 -13.988 100 H GLY 39 H GLY 39 -12.077 -14.444 -18.386 101 HA2 GLY 39 HA2 GLY 39 -13.284 -16.418 -18.745 102 HA3 GLY 39 HA3 GLY 39 -14.508 -15.488 -19.597 103 H SER 40 H SER 40 -11.004 -15.946 -20.064 104 HA SER 40 HA SER 40 -11.418 -17.367 -22.532 105 HB2 SER 40 HB2 SER 40 -9.910 -14.789 -22.824 106 HB3 SER 40 HB3 SER 40 -10.673 -15.779 -24.067 107 HG SER 40 HG SER 40 -11.801 -13.790 -23.497 108 H SER 41 H SER 41 -9.471 -18.228 -23.409 109 HA SER 41 HA SER 41 -7.078 -17.912 -21.739 110 HB2 SER 41 HB2 SER 41 -8.087 -19.916 -20.890 111 HB3 SER 41 HB3 SER 41 -8.386 -20.524 -22.518 112 HG SER 41 HG SER 41 -5.770 -19.960 -21.626 113 H TRP 42 H TRP 42 -5.258 -17.685 -22.876 114 HA TRP 42 HA TRP 42 -5.406 -17.865 -25.772 115 HB2 TRP 42 HB2 TRP 42 -4.390 -15.867 -24.976 116 HB3 TRP 42 HB3 TRP 42 -3.345 -16.755 -23.869 117 HD1 TRP 42 HD1 TRP 42 -1.208 -18.007 -24.941 118 HE1 TRP 42 HE1 TRP 42 0.084 -17.585 -27.126 119 HE3 TRP 42 HE3 TRP 42 -4.659 -15.131 -27.380 120 HZ2 TRP 42 HZ2 TRP 42 -0.308 -16.212 -29.562 121 HZ3 TRP 42 HZ3 TRP 42 -4.122 -14.302 -29.634 122 HH2 TRP 42 HH2 TRP 42 -1.991 -14.833 -30.700 123 H SER 43 H SER 43 -4.722 -19.562 -26.888 124 HA SER 43 HA SER 43 -3.021 -21.539 -25.539 125 HB2 SER 43 HB2 SER 43 -5.368 -21.935 -26.839 126 HB3 SER 43 HB3 SER 43 -4.228 -22.217 -28.154 127 HG SER 43 HG SER 43 -3.685 -23.420 -25.700 128 H ALA 44 H ALA 44 -1.002 -21.929 -26.201 129 HA ALA 44 HA ALA 44 0.175 -20.260 -28.213 130 HB1 ALA 44 HB1 ALA 44 1.185 -22.317 -26.306 131 HB2 ALA 44 HB2 ALA 44 2.201 -21.825 -27.662 132 HB3 ALA 44 HB3 ALA 44 1.651 -20.626 -26.492 133 H ASP 45 H ASP 45 -1.385 -23.263 -28.251 134 HA ASP 45 HA ASP 45 0.060 -24.577 -30.299 135 HB2 ASP 45 HB2 ASP 45 -2.477 -24.953 -28.880 136 HB3 ASP 45 HB3 ASP 45 -2.517 -25.509 -30.551 137 H LEU 46 H LEU 46 -3.072 -22.871 -30.455 138 HA LEU 46 HA LEU 46 -2.707 -22.570 -33.345 139 HB2 LEU 46 HB2 LEU 46 -5.063 -22.382 -31.509 140 HB3 LEU 46 HB3 LEU 46 -5.122 -21.658 -33.115 141 HG LEU 46 HG LEU 46 -4.483 -24.565 -32.681 142 HD11 LEU 46 HD11 LEU 46 -6.734 -23.815 -31.725 143 HD12 LEU 46 HD12 LEU 46 -6.736 -25.144 -32.885 144 HD13 LEU 46 HD13 LEU 46 -7.201 -23.523 -33.401 145 HD21 LEU 46 HD21 LEU 46 -5.019 -22.789 -34.996 146 HD22 LEU 46 HD22 LEU 46 -5.635 -24.440 -35.068 147 HD23 LEU 46 HD23 LEU 46 -3.910 -24.153 -34.843 148 H ASP 47 H ASP 47 -2.407 -20.825 -30.451 149 HA ASP 47 HA ASP 47 -1.851 -18.666 -29.998 150 HB2 ASP 47 HB2 ASP 47 -1.592 -18.194 -32.964 151 HB3 ASP 47 HB3 ASP 47 -0.746 -17.378 -31.653 152 H LYS 48 H LYS 48 -4.075 -18.418 -29.322 153 HA LYS 48 HA LYS 48 -5.299 -16.127 -30.407 154 HB2 LYS 48 HB2 LYS 48 -7.252 -16.970 -31.440 155 HB3 LYS 48 HB3 LYS 48 -5.920 -17.883 -32.136 156 HG2 LYS 48 HG2 LYS 48 -7.553 -18.901 -29.830 157 HG3 LYS 48 HG3 LYS 48 -7.982 -19.196 -31.516 158 HD2 LYS 48 HD2 LYS 48 -6.612 -20.947 -31.503 159 HD3 LYS 48 HD3 LYS 48 -5.258 -19.837 -31.281 160 HE2 LYS 48 HE2 LYS 48 -4.904 -20.710 -29.271 161 HE3 LYS 48 HE3 LYS 48 -6.494 -20.142 -28.764 162 HZ1 LYS 48 HZ1 LYS 48 -5.683 -22.806 -29.691 163 HZ2 LYS 48 HZ2 LYS 48 -7.272 -22.297 -29.972 164 HZ3 LYS 48 HZ3 LYS 48 -6.676 -22.376 -28.391 165 H CYS 49 H CYS 49 -7.279 -15.532 -29.265 166 HA CYS 49 HA CYS 49 -7.203 -16.497 -26.530 167 HB2 CYS 49 HB2 CYS 49 -8.526 -14.179 -27.911 168 HB3 CYS 49 HB3 CYS 49 -8.999 -14.640 -26.279 169 H MET 50 H MET 50 -8.195 -18.452 -26.389 170 HA MET 50 HA MET 50 -10.731 -18.935 -27.693 171 HB2 MET 50 HB2 MET 50 -8.979 -20.603 -25.893 172 HB3 MET 50 HB3 MET 50 -10.556 -21.150 -26.446 173 HG2 MET 50 HG2 MET 50 -8.453 -20.262 -28.382 174 HG3 MET 50 HG3 MET 50 -8.478 -21.901 -27.736 175 HE1 MET 50 HE1 MET 50 -9.119 -23.557 -29.029 176 HE2 MET 50 HE2 MET 50 -10.750 -23.689 -28.370 177 HE3 MET 50 HE3 MET 50 -10.502 -23.692 -30.117 178 H ASP 51 H ASP 51 -12.525 -19.937 -26.352 179 HA ASP 51 HA ASP 51 -12.941 -18.263 -23.972 180 HB2 ASP 51 HB2 ASP 51 -14.520 -18.309 -26.087 181 HB3 ASP 51 HB3 ASP 51 -15.170 -19.747 -25.305 182 H CYS 52 H CYS 52 -13.380 -19.139 -22.017 183 HA CYS 52 HA CYS 52 -12.566 -21.715 -21.393 184 HB2 CYS 52 HB2 CYS 52 -13.368 -19.501 -19.961 185 HB3 CYS 52 HB3 CYS 52 -14.623 -20.677 -19.585 186 H ALA 53 H ALA 53 -15.641 -20.570 -22.521 187 HA ALA 53 HA ALA 53 -17.265 -22.716 -21.693 188 HB1 ALA 53 HB1 ALA 53 -17.486 -20.462 -23.535 189 HB2 ALA 53 HB2 ALA 53 -18.413 -21.878 -24.032 190 HB3 ALA 53 HB3 ALA 53 -18.684 -21.160 -22.444 191 H SER 54 H SER 54 -14.948 -22.406 -24.246 192 HA SER 54 HA SER 54 -15.839 -24.369 -26.020 193 HB2 SER 54 HB2 SER 54 -13.004 -23.556 -25.335 194 HB3 SER 54 HB3 SER 54 -13.462 -24.528 -26.733 195 HG SER 54 HG SER 54 -14.503 -22.801 -27.602 196 H CYS 55 H CYS 55 -14.347 -24.637 -22.905 197 HA CYS 55 HA CYS 55 -13.212 -27.151 -22.974 198 HB2 CYS 55 HB2 CYS 55 -14.635 -25.643 -20.795 199 HB3 CYS 55 HB3 CYS 55 -13.992 -27.256 -20.507 200 H ARG 56 H ARG 56 -16.582 -26.258 -22.929 201 HA ARG 56 HA ARG 56 -17.794 -28.581 -22.065 202 HB2 ARG 56 HB2 ARG 56 -18.551 -26.321 -23.784 203 HB3 ARG 56 HB3 ARG 56 -19.453 -27.797 -24.096 204 HG2 ARG 56 HG2 ARG 56 -20.465 -27.780 -22.046 205 HG3 ARG 56 HG3 ARG 56 -19.149 -26.887 -21.283 206 HD2 ARG 56 HD2 ARG 56 -19.925 -24.852 -22.013 207 HD3 ARG 56 HD3 ARG 56 -20.753 -25.548 -23.405 208 HE ARG 56 HE ARG 56 -22.143 -26.537 -21.309 209 HH11 ARG 56 HH11 ARG 56 -21.170 -23.322 -22.225 210 HH12 ARG 56 HH12 ARG 56 -22.540 -22.558 -21.491 211 HH21 ARG 56 HH21 ARG 56 -23.951 -25.542 -20.338 212 HH22 ARG 56 HH22 ARG 56 -24.121 -23.821 -20.417 213 H ALA 57 H ALA 57 -16.217 -27.917 -25.107 214 HA ALA 57 HA ALA 57 -16.951 -30.604 -26.065 215 HB1 ALA 57 HB1 ALA 57 -17.564 -28.575 -27.461 216 HB2 ALA 57 HB2 ALA 57 -15.836 -28.397 -27.773 217 HB3 ALA 57 HB3 ALA 57 -16.678 -29.861 -28.281 218 H ARG 58 H ARG 58 -14.306 -28.440 -25.336 219 HA ARG 58 HA ARG 58 -12.423 -30.647 -25.856 220 HB2 ARG 58 HB2 ARG 58 -12.280 -27.764 -26.551 221 HB3 ARG 58 HB3 ARG 58 -10.793 -28.518 -25.990 222 HG2 ARG 58 HG2 ARG 58 -10.710 -29.985 -27.792 223 HG3 ARG 58 HG3 ARG 58 -12.420 -29.765 -28.170 224 HD2 ARG 58 HD2 ARG 58 -11.961 -28.077 -29.544 225 HD3 ARG 58 HD3 ARG 58 -11.029 -27.251 -28.296 226 HE ARG 58 HE ARG 58 -9.394 -29.250 -29.244 227 HH11 ARG 58 HH11 ARG 58 -11.032 -26.482 -30.577 228 HH12 ARG 58 HH12 ARG 58 -9.848 -26.213 -31.813 229 HH21 ARG 58 HH21 ARG 58 -7.828 -28.906 -30.867 230 HH22 ARG 58 HH22 ARG 58 -8.026 -27.593 -31.977 231 HA PRO 59 HA PRO 59 -12.350 -29.463 -21.347 232 HB2 PRO 59 HB2 PRO 59 -12.538 -32.009 -20.422 233 HB3 PRO 59 HB3 PRO 59 -13.951 -31.019 -20.807 234 HG2 PRO 59 HG2 PRO 59 -12.626 -33.146 -22.444 235 HG3 PRO 59 HG3 PRO 59 -14.354 -32.853 -22.179 236 HD2 PRO 59 HD2 PRO 59 -13.071 -32.066 -24.430 237 HD3 PRO 59 HD3 PRO 59 -14.435 -31.161 -23.743 238 H HIS 60 H HIS 60 -10.577 -31.533 -23.455 239 HA HIS 60 HA HIS 60 -8.341 -31.631 -21.541 240 HB2 HIS 60 HB2 HIS 60 -7.481 -33.469 -23.091 241 HB3 HIS 60 HB3 HIS 60 -8.896 -33.857 -22.116 242 HD1 HIS 60 HD1 HIS 60 -8.670 -32.104 -25.487 243 HD2 HIS 60 HD2 HIS 60 -10.402 -35.436 -23.711 244 HE1 HIS 60 HE1 HIS 60 -10.101 -33.149 -27.272 245 H SER 61 H SER 61 -8.561 -29.245 -22.674 246 HA SER 61 HA SER 61 -6.582 -29.248 -24.858 247 HB2 SER 61 HB2 SER 61 -9.043 -27.641 -24.414 248 HB3 SER 61 HB3 SER 61 -7.656 -26.801 -25.108 249 HG SER 61 HG SER 61 -8.307 -27.656 -26.910 250 H ASP 62 H ASP 62 -5.028 -27.528 -24.868 251 HA ASP 62 HA ASP 62 -3.794 -27.085 -22.402 252 HB2 ASP 62 HB2 ASP 62 -3.488 -25.715 -25.072 253 HB3 ASP 62 HB3 ASP 62 -2.483 -25.312 -23.683 254 H PHE 63 H PHE 63 -5.609 -24.779 -24.427 255 HA PHE 63 HA PHE 63 -5.512 -22.644 -22.604 256 HB2 PHE 63 HB2 PHE 63 -7.424 -21.726 -23.916 257 HB3 PHE 63 HB3 PHE 63 -6.074 -22.247 -24.919 258 HD1 PHE 63 HD1 PHE 63 -9.443 -23.191 -23.731 259 HD2 PHE 63 HD2 PHE 63 -6.348 -23.899 -26.566 260 HE1 PHE 63 HE1 PHE 63 -10.968 -24.614 -25.036 261 HE2 PHE 63 HE2 PHE 63 -7.869 -25.323 -27.876 262 HZ PHE 63 HZ PHE 63 -10.182 -25.683 -27.110 263 H CYS 64 H CYS 64 -7.542 -25.450 -22.785 264 HA CYS 64 HA CYS 64 -9.707 -24.541 -21.226 265 HB2 CYS 64 HB2 CYS 64 -9.678 -26.622 -22.630 266 HB3 CYS 64 HB3 CYS 64 -8.666 -27.373 -21.400 267 H LEU 65 H LEU 65 -6.874 -26.498 -20.300 268 HA LEU 65 HA LEU 65 -7.466 -26.391 -17.517 269 HB2 LEU 65 HB2 LEU 65 -4.889 -27.052 -18.935 270 HB3 LEU 65 HB3 LEU 65 -5.214 -27.333 -17.226 271 HG LEU 65 HG LEU 65 -6.535 -28.696 -19.570 272 HD11 LEU 65 HD11 LEU 65 -4.697 -29.708 -17.405 273 HD12 LEU 65 HD12 LEU 65 -4.299 -29.508 -19.111 274 HD13 LEU 65 HD13 LEU 65 -5.495 -30.707 -18.620 275 HD21 LEU 65 HD21 LEU 65 -8.278 -28.647 -18.082 276 HD22 LEU 65 HD22 LEU 65 -7.219 -28.590 -16.672 277 HD23 LEU 65 HD23 LEU 65 -7.442 -30.105 -17.547 278 H GLY 66 H GLY 66 -5.592 -24.414 -19.706 279 HA2 GLY 66 HA2 GLY 66 -4.175 -22.984 -17.669 280 HA3 GLY 66 HA3 GLY 66 -4.308 -22.528 -19.362 281 H CYS 67 H CYS 67 -7.267 -22.602 -19.244 282 HA CYS 67 HA CYS 67 -7.791 -19.924 -18.811 283 HB2 CYS 67 HB2 CYS 67 -9.325 -21.268 -20.084 284 HB3 CYS 67 HB3 CYS 67 -9.653 -22.300 -18.696 285 H ALA 68 H ALA 68 -9.229 -22.423 -16.732 286 HA ALA 68 HA ALA 68 -9.752 -20.709 -14.588 287 HB1 ALA 68 HB1 ALA 68 -10.973 -22.677 -14.560 288 HB2 ALA 68 HB2 ALA 68 -9.551 -23.683 -14.842 289 HB3 ALA 68 HB3 ALA 68 -9.803 -22.933 -13.266 290 H ALA 69 H ALA 69 -8.279 -19.591 -13.491 291 HA ALA 69 HA ALA 69 -6.375 -19.022 -12.374 292 HB1 ALA 69 HB1 ALA 69 -6.992 -20.394 -10.626 293 HB2 ALA 69 HB2 ALA 69 -6.830 -21.866 -11.584 294 HB3 ALA 69 HB3 ALA 69 -5.390 -21.017 -11.022 295 H ALA 70 H ALA 70 -5.144 -18.521 -14.224 296 HA ALA 70 HA ALA 70 -3.616 -20.476 -15.626 297 HB1 ALA 70 HB1 ALA 70 -3.520 -17.471 -15.556 298 HB2 ALA 70 HB2 ALA 70 -2.431 -18.441 -16.550 299 HB3 ALA 70 HB3 ALA 70 -4.172 -18.516 -16.818 Start of MODEL 2 1 H1 GLY 21 H1 GLY 21 7.668 20.229 -23.612 2 HA2 GLY 21 HA2 GLY 21 6.796 19.123 -21.051 3 HA3 GLY 21 HA3 GLY 21 5.923 19.032 -22.574 4 H SER 22 H SER 22 5.855 17.098 -23.488 5 HA SER 22 HA SER 22 6.288 14.911 -23.946 6 HB2 SER 22 HB2 SER 22 9.191 15.700 -23.625 7 HB3 SER 22 HB3 SER 22 8.554 14.347 -24.560 8 HG SER 22 HG SER 22 7.851 15.704 -26.085 9 H SER 23 H SER 23 5.350 14.161 -21.999 10 HA SER 23 HA SER 23 7.282 13.379 -19.917 11 HB2 SER 23 HB2 SER 23 5.519 14.852 -19.078 12 HB3 SER 23 HB3 SER 23 4.285 13.762 -19.709 13 HG SER 23 HG SER 23 5.327 13.679 -17.344 14 H GLY 24 H GLY 24 7.953 11.464 -20.914 15 HA2 GLY 24 HA2 GLY 24 6.283 9.198 -20.386 16 HA3 GLY 24 HA3 GLY 24 6.445 9.507 -22.108 17 H SER 25 H SER 25 7.770 7.948 -19.460 18 HA SER 25 HA SER 25 10.349 7.608 -20.844 19 HB2 SER 25 HB2 SER 25 9.715 7.371 -17.893 20 HB3 SER 25 HB3 SER 25 11.278 6.989 -18.616 21 HG SER 25 HG SER 25 10.545 9.301 -17.745 22 H SER 26 H SER 26 7.912 5.939 -18.873 23 HA SER 26 HA SER 26 8.043 3.596 -20.496 24 HB2 SER 26 HB2 SER 26 8.855 2.042 -18.766 25 HB3 SER 26 HB3 SER 26 10.086 3.234 -19.181 26 HG SER 26 HG SER 26 9.454 2.718 -16.823 27 H GLY 27 H GLY 27 6.575 1.877 -19.690 28 HA2 GLY 27 HA2 GLY 27 4.918 1.478 -17.788 29 HA3 GLY 27 HA3 GLY 27 4.368 3.105 -18.165 30 H GLU 28 H GLU 28 4.752 -0.142 -19.522 31 HA GLU 28 HA GLU 28 2.879 0.471 -21.662 32 HB2 GLU 28 HB2 GLU 28 4.432 -2.032 -20.989 33 HB3 GLU 28 HB3 GLU 28 3.332 -1.897 -22.354 34 HG2 GLU 28 HG2 GLU 28 5.597 0.026 -22.020 35 HG3 GLU 28 HG3 GLU 28 5.853 -1.563 -22.739 36 H GLN 29 H GLN 29 3.073 -1.530 -18.759 37 HA GLN 29 HA GLN 29 1.502 -2.670 -17.570 38 HB2 GLN 29 HB2 GLN 29 0.626 -0.236 -17.603 39 HB3 GLN 29 HB3 GLN 29 -0.570 -0.837 -18.744 40 HG2 GLN 29 HG2 GLN 29 -1.787 -1.744 -17.128 41 HG3 GLN 29 HG3 GLN 29 -0.382 -2.526 -16.406 42 HE21 GLN 29 HE21 GLN 29 0.956 -1.226 -14.988 43 HE22 GLN 29 HE22 GLN 29 0.226 0.032 -14.056 44 H ALA 30 H ALA 30 1.716 -4.576 -18.827 45 HA ALA 30 HA ALA 30 -0.744 -5.294 -20.201 46 HB1 ALA 30 HB1 ALA 30 0.054 -5.284 -22.270 47 HB2 ALA 30 HB2 ALA 30 1.553 -4.576 -21.667 48 HB3 ALA 30 HB3 ALA 30 1.393 -6.328 -21.790 49 HA PRO 31 HA PRO 31 -0.108 -9.218 -18.343 50 HB2 PRO 31 HB2 PRO 31 -1.092 -10.918 -20.217 51 HB3 PRO 31 HB3 PRO 31 -2.122 -9.864 -19.241 52 HG2 PRO 31 HG2 PRO 31 -1.141 -9.488 -22.045 53 HG3 PRO 31 HG3 PRO 31 -2.755 -9.189 -21.374 54 HD2 PRO 31 HD2 PRO 31 -0.966 -7.203 -21.807 55 HD3 PRO 31 HD3 PRO 31 -2.144 -7.154 -20.480 56 H GLY 32 H GLY 32 0.790 -9.303 -21.801 57 HA2 GLY 32 HA2 GLY 32 2.615 -10.196 -22.867 58 HA3 GLY 32 HA3 GLY 32 3.475 -9.985 -21.349 59 H THR 33 H THR 33 0.697 -12.048 -22.150 60 HA THR 33 HA THR 33 2.121 -14.463 -22.332 61 HB THR 33 HB THR 33 2.673 -14.239 -20.012 62 HG1 THR 33 HG1 THR 33 2.204 -16.318 -20.136 63 HG21 THR 33 HG21 THR 33 1.064 -13.856 -18.269 64 HG22 THR 33 HG22 THR 33 -0.270 -13.924 -19.419 65 HG23 THR 33 HG23 THR 33 0.878 -12.586 -19.478 66 H ALA 34 H ALA 34 -0.871 -12.900 -21.298 67 HA ALA 34 HA ALA 34 -2.377 -14.632 -23.076 68 HB1 ALA 34 HB1 ALA 34 -3.259 -14.432 -20.209 69 HB2 ALA 34 HB2 ALA 34 -3.872 -15.498 -21.474 70 HB3 ALA 34 HB3 ALA 34 -2.262 -15.759 -20.806 71 HA PRO 35 HA PRO 35 -3.767 -10.181 -22.807 72 HB2 PRO 35 HB2 PRO 35 -3.595 -9.701 -25.474 73 HB3 PRO 35 HB3 PRO 35 -2.232 -9.486 -24.370 74 HG2 PRO 35 HG2 PRO 35 -2.851 -11.780 -26.190 75 HG3 PRO 35 HG3 PRO 35 -1.297 -10.985 -25.882 76 HD2 PRO 35 HD2 PRO 35 -1.986 -13.335 -24.726 77 HD3 PRO 35 HD3 PRO 35 -0.954 -12.139 -23.916 78 H CYS 36 H CYS 36 -5.747 -11.451 -22.239 79 HA CYS 36 HA CYS 36 -7.624 -11.402 -24.500 80 HB2 CYS 36 HB2 CYS 36 -7.564 -13.536 -22.356 81 HB3 CYS 36 HB3 CYS 36 -8.715 -13.428 -23.685 82 H SER 37 H SER 37 -9.946 -11.975 -23.262 83 HA SER 37 HA SER 37 -10.206 -9.762 -21.345 84 HB2 SER 37 HB2 SER 37 -12.493 -9.548 -22.048 85 HB3 SER 37 HB3 SER 37 -11.503 -9.658 -23.504 86 HG SER 37 HG SER 37 -13.352 -11.449 -22.465 87 H ARG 38 H ARG 38 -12.600 -10.301 -20.193 88 HA ARG 38 HA ARG 38 -11.908 -12.234 -18.232 89 HB2 ARG 38 HB2 ARG 38 -14.452 -10.699 -18.761 90 HB3 ARG 38 HB3 ARG 38 -14.259 -11.795 -17.400 91 HG2 ARG 38 HG2 ARG 38 -12.276 -9.608 -17.819 92 HG3 ARG 38 HG3 ARG 38 -13.848 -9.245 -17.102 93 HD2 ARG 38 HD2 ARG 38 -13.414 -11.036 -15.422 94 HD3 ARG 38 HD3 ARG 38 -11.789 -11.200 -16.089 95 HE ARG 38 HE ARG 38 -12.443 -8.518 -15.292 96 HH11 ARG 38 HH11 ARG 38 -11.227 -11.602 -14.230 97 HH12 ARG 38 HH12 ARG 38 -10.352 -10.942 -12.889 98 HH21 ARG 38 HH21 ARG 38 -11.294 -7.637 -13.529 99 HH22 ARG 38 HH22 ARG 38 -10.392 -8.687 -12.491 100 H GLY 39 H GLY 39 -12.096 -14.364 -18.389 101 HA2 GLY 39 HA2 GLY 39 -13.208 -16.394 -18.696 102 HA3 GLY 39 HA3 GLY 39 -14.485 -15.539 -19.548 103 H SER 40 H SER 40 -10.975 -15.908 -20.059 104 HA SER 40 HA SER 40 -11.407 -17.363 -22.512 105 HB2 SER 40 HB2 SER 40 -9.886 -14.792 -22.814 106 HB3 SER 40 HB3 SER 40 -10.652 -15.784 -24.055 107 HG SER 40 HG SER 40 -11.774 -13.790 -23.493 108 H SER 41 H SER 41 -9.454 -18.210 -23.413 109 HA SER 41 HA SER 41 -7.061 -17.919 -21.738 110 HB2 SER 41 HB2 SER 41 -8.137 -19.928 -20.922 111 HB3 SER 41 HB3 SER 41 -8.330 -20.539 -22.565 112 HG SER 41 HG SER 41 -6.064 -20.666 -22.713 113 H TRP 42 H TRP 42 -5.246 -17.682 -22.879 114 HA TRP 42 HA TRP 42 -5.397 -17.858 -25.776 115 HB2 TRP 42 HB2 TRP 42 -4.384 -15.859 -24.978 116 HB3 TRP 42 HB3 TRP 42 -3.337 -16.746 -23.873 117 HD1 TRP 42 HD1 TRP 42 -1.195 -17.988 -24.946 118 HE1 TRP 42 HE1 TRP 42 0.093 -17.561 -27.133 119 HE3 TRP 42 HE3 TRP 42 -4.660 -15.127 -27.384 120 HZ2 TRP 42 HZ2 TRP 42 -0.307 -16.193 -29.569 121 HZ3 TRP 42 HZ3 TRP 42 -4.129 -14.298 -29.639 122 HH2 TRP 42 HH2 TRP 42 -1.997 -14.821 -30.707 123 H SER 43 H SER 43 -4.714 -19.555 -26.892 124 HA SER 43 HA SER 43 -3.005 -21.528 -25.548 125 HB2 SER 43 HB2 SER 43 -5.355 -21.928 -26.843 126 HB3 SER 43 HB3 SER 43 -4.216 -22.209 -28.159 127 HG SER 43 HG SER 43 -3.522 -23.970 -27.201 128 H ALA 44 H ALA 44 -0.987 -21.914 -26.215 129 HA ALA 44 HA ALA 44 0.183 -20.242 -28.229 130 HB1 ALA 44 HB1 ALA 44 2.225 -21.755 -27.688 131 HB2 ALA 44 HB2 ALA 44 1.634 -20.620 -26.473 132 HB3 ALA 44 HB3 ALA 44 1.218 -22.330 -26.359 133 H ASP 45 H ASP 45 -1.371 -23.248 -28.263 134 HA ASP 45 HA ASP 45 0.072 -24.558 -30.316 135 HB2 ASP 45 HB2 ASP 45 -2.461 -24.940 -28.891 136 HB3 ASP 45 HB3 ASP 45 -2.504 -25.496 -30.562 137 H LEU 46 H LEU 46 -3.064 -22.859 -30.463 138 HA LEU 46 HA LEU 46 -2.708 -22.556 -33.354 139 HB2 LEU 46 HB2 LEU 46 -5.059 -22.373 -31.511 140 HB3 LEU 46 HB3 LEU 46 -5.124 -21.649 -33.117 141 HG LEU 46 HG LEU 46 -4.478 -24.555 -32.686 142 HD11 LEU 46 HD11 LEU 46 -6.731 -25.137 -32.885 143 HD12 LEU 46 HD12 LEU 46 -7.200 -23.517 -33.399 144 HD13 LEU 46 HD13 LEU 46 -6.729 -23.809 -31.725 145 HD21 LEU 46 HD21 LEU 46 -5.639 -24.426 -35.072 146 HD22 LEU 46 HD22 LEU 46 -3.912 -24.144 -34.849 147 HD23 LEU 46 HD23 LEU 46 -5.017 -22.777 -34.998 148 H ASP 47 H ASP 47 -2.404 -20.812 -30.460 149 HA ASP 47 HA ASP 47 -1.851 -18.651 -30.007 150 HB2 ASP 47 HB2 ASP 47 -1.600 -18.178 -32.974 151 HB3 ASP 47 HB3 ASP 47 -0.751 -17.362 -31.664 152 H LYS 48 H LYS 48 -4.074 -18.408 -29.326 153 HA LYS 48 HA LYS 48 -5.305 -16.119 -30.408 154 HB2 LYS 48 HB2 LYS 48 -7.259 -16.965 -31.436 155 HB3 LYS 48 HB3 LYS 48 -5.927 -17.876 -32.136 156 HG2 LYS 48 HG2 LYS 48 -7.551 -18.897 -29.825 157 HG3 LYS 48 HG3 LYS 48 -7.985 -19.193 -31.510 158 HD2 LYS 48 HD2 LYS 48 -6.610 -20.942 -31.502 159 HD3 LYS 48 HD3 LYS 48 -5.258 -19.828 -31.283 160 HE2 LYS 48 HE2 LYS 48 -4.898 -20.702 -29.274 161 HE3 LYS 48 HE3 LYS 48 -6.487 -20.137 -28.762 162 HZ1 LYS 48 HZ1 LYS 48 -6.679 -22.367 -28.392 163 HZ2 LYS 48 HZ2 LYS 48 -5.669 -22.799 -29.679 164 HZ3 LYS 48 HZ3 LYS 48 -7.255 -22.297 -29.981 165 H CYS 49 H CYS 49 -7.282 -15.527 -29.260 166 HA CYS 49 HA CYS 49 -7.198 -16.494 -26.526 167 HB2 CYS 49 HB2 CYS 49 -8.524 -14.175 -27.903 168 HB3 CYS 49 HB3 CYS 49 -8.996 -14.637 -26.271 169 H MET 50 H MET 50 -8.186 -18.453 -26.392 170 HA MET 50 HA MET 50 -10.726 -18.934 -27.687 171 HB2 MET 50 HB2 MET 50 -8.968 -20.603 -25.894 172 HB3 MET 50 HB3 MET 50 -10.546 -21.151 -26.443 173 HG2 MET 50 HG2 MET 50 -8.446 -20.260 -28.382 174 HG3 MET 50 HG3 MET 50 -8.473 -21.901 -27.740 175 HE1 MET 50 HE1 MET 50 -10.758 -23.683 -28.381 176 HE2 MET 50 HE2 MET 50 -10.495 -23.683 -30.125 177 HE3 MET 50 HE3 MET 50 -9.122 -23.552 -29.026 178 H ASP 51 H ASP 51 -12.516 -19.940 -26.343 179 HA ASP 51 HA ASP 51 -12.920 -18.277 -23.952 180 HB2 ASP 51 HB2 ASP 51 -14.504 -18.196 -26.007 181 HB3 ASP 51 HB3 ASP 51 -15.118 -19.730 -25.398 182 H CYS 52 H CYS 52 -13.363 -19.168 -22.005 183 HA CYS 52 HA CYS 52 -12.568 -21.755 -21.404 184 HB2 CYS 52 HB2 CYS 52 -13.368 -19.546 -19.954 185 HB3 CYS 52 HB3 CYS 52 -14.616 -20.730 -19.583 186 H ALA 53 H ALA 53 -15.637 -20.577 -22.518 187 HA ALA 53 HA ALA 53 -17.279 -22.715 -21.711 188 HB1 ALA 53 HB1 ALA 53 -17.739 -21.218 -24.262 189 HB2 ALA 53 HB2 ALA 53 -18.914 -21.817 -23.091 190 HB3 ALA 53 HB3 ALA 53 -17.917 -20.417 -22.701 191 H SER 54 H SER 54 -14.954 -22.410 -24.259 192 HA SER 54 HA SER 54 -15.861 -24.368 -26.035 193 HB2 SER 54 HB2 SER 54 -13.038 -23.510 -25.366 194 HB3 SER 54 HB3 SER 54 -13.462 -24.542 -26.731 195 HG SER 54 HG SER 54 -13.282 -22.127 -27.029 196 H CYS 55 H CYS 55 -14.351 -24.637 -22.930 197 HA CYS 55 HA CYS 55 -13.212 -27.150 -23.008 198 HB2 CYS 55 HB2 CYS 55 -14.620 -25.639 -20.823 199 HB3 CYS 55 HB3 CYS 55 -13.988 -27.257 -20.536 200 H ARG 56 H ARG 56 -16.583 -26.262 -22.944 201 HA ARG 56 HA ARG 56 -17.788 -28.588 -22.075 202 HB2 ARG 56 HB2 ARG 56 -18.647 -26.225 -23.210 203 HB3 ARG 56 HB3 ARG 56 -19.119 -27.425 -24.406 204 HG2 ARG 56 HG2 ARG 56 -19.768 -27.871 -21.528 205 HG3 ARG 56 HG3 ARG 56 -20.752 -26.770 -22.495 206 HD2 ARG 56 HD2 ARG 56 -20.591 -28.899 -24.158 207 HD3 ARG 56 HD3 ARG 56 -20.534 -29.704 -22.591 208 HE ARG 56 HE ARG 56 -22.744 -29.209 -22.311 209 HH11 ARG 56 HH11 ARG 56 -21.432 -27.126 -24.773 210 HH12 ARG 56 HH12 ARG 56 -22.966 -26.439 -25.193 211 HH21 ARG 56 HH21 ARG 56 -24.769 -28.311 -22.854 212 HH22 ARG 56 HH22 ARG 56 -24.863 -27.113 -24.100 213 H ALA 57 H ALA 57 -16.230 -27.918 -25.127 214 HA ALA 57 HA ALA 57 -16.962 -30.607 -26.081 215 HB1 ALA 57 HB1 ALA 57 -17.007 -28.093 -27.378 216 HB2 ALA 57 HB2 ALA 57 -15.751 -29.066 -28.144 217 HB3 ALA 57 HB3 ALA 57 -17.402 -29.677 -28.045 218 H ARG 58 H ARG 58 -14.341 -28.492 -25.239 219 HA ARG 58 HA ARG 58 -12.449 -30.676 -25.809 220 HB2 ARG 58 HB2 ARG 58 -12.307 -27.798 -26.520 221 HB3 ARG 58 HB3 ARG 58 -10.819 -28.547 -25.957 222 HG2 ARG 58 HG2 ARG 58 -10.508 -29.597 -27.889 223 HG3 ARG 58 HG3 ARG 58 -12.172 -30.182 -27.926 224 HD2 ARG 58 HD2 ARG 58 -12.647 -27.640 -28.522 225 HD3 ARG 58 HD3 ARG 58 -10.986 -27.729 -29.107 226 HE ARG 58 HE ARG 58 -13.283 -28.831 -30.353 227 HH11 ARG 58 HH11 ARG 58 -9.903 -29.430 -29.771 228 HH12 ARG 58 HH12 ARG 58 -9.696 -30.396 -31.195 229 HH21 ARG 58 HH21 ARG 58 -13.022 -30.100 -32.230 230 HH22 ARG 58 HH22 ARG 58 -11.470 -30.775 -32.593 231 HA PRO 59 HA PRO 59 -12.368 -29.471 -21.306 232 HB2 PRO 59 HB2 PRO 59 -12.552 -32.012 -20.369 233 HB3 PRO 59 HB3 PRO 59 -13.967 -31.026 -20.756 234 HG2 PRO 59 HG2 PRO 59 -12.641 -33.159 -22.385 235 HG3 PRO 59 HG3 PRO 59 -14.369 -32.867 -22.119 236 HD2 PRO 59 HD2 PRO 59 -13.091 -32.089 -24.376 237 HD3 PRO 59 HD3 PRO 59 -14.455 -31.183 -23.691 238 H HIS 60 H HIS 60 -10.596 -31.550 -23.407 239 HA HIS 60 HA HIS 60 -8.353 -31.622 -21.499 240 HB2 HIS 60 HB2 HIS 60 -7.500 -33.485 -23.022 241 HB3 HIS 60 HB3 HIS 60 -8.908 -33.857 -22.031 242 HD1 HIS 60 HD1 HIS 60 -8.848 -32.069 -25.379 243 HD2 HIS 60 HD2 HIS 60 -10.279 -35.563 -23.645 244 HE1 HIS 60 HE1 HIS 60 -10.253 -33.171 -27.149 245 H SER 61 H SER 61 -8.526 -29.256 -22.622 246 HA SER 61 HA SER 61 -6.581 -29.296 -24.837 247 HB2 SER 61 HB2 SER 61 -9.030 -27.670 -24.395 248 HB3 SER 61 HB3 SER 61 -7.644 -26.848 -25.113 249 HG SER 61 HG SER 61 -8.567 -27.687 -26.852 250 H ASP 62 H ASP 62 -5.044 -27.544 -24.891 251 HA ASP 62 HA ASP 62 -3.771 -27.092 -22.443 252 HB2 ASP 62 HB2 ASP 62 -3.508 -25.644 -25.083 253 HB3 ASP 62 HB3 ASP 62 -2.430 -25.391 -23.714 254 H PHE 63 H PHE 63 -5.598 -24.785 -24.458 255 HA PHE 63 HA PHE 63 -5.493 -22.655 -22.630 256 HB2 PHE 63 HB2 PHE 63 -7.409 -21.731 -23.936 257 HB3 PHE 63 HB3 PHE 63 -6.060 -22.249 -24.941 258 HD1 PHE 63 HD1 PHE 63 -9.439 -23.165 -23.774 259 HD2 PHE 63 HD2 PHE 63 -6.324 -23.930 -26.572 260 HE1 PHE 63 HE1 PHE 63 -10.967 -24.584 -25.081 261 HE2 PHE 63 HE2 PHE 63 -7.847 -25.349 -27.884 262 HZ PHE 63 HZ PHE 63 -10.171 -25.677 -27.139 263 H CYS 64 H CYS 64 -7.530 -25.457 -22.813 264 HA CYS 64 HA CYS 64 -9.693 -24.551 -21.253 265 HB2 CYS 64 HB2 CYS 64 -9.644 -26.641 -22.653 266 HB3 CYS 64 HB3 CYS 64 -8.648 -27.383 -21.405 267 H LEU 65 H LEU 65 -6.872 -26.523 -20.314 268 HA LEU 65 HA LEU 65 -7.459 -26.403 -17.535 269 HB2 LEU 65 HB2 LEU 65 -4.925 -27.095 -19.010 270 HB3 LEU 65 HB3 LEU 65 -5.139 -27.275 -17.270 271 HG LEU 65 HG LEU 65 -6.616 -28.773 -19.433 272 HD11 LEU 65 HD11 LEU 65 -4.559 -29.800 -19.298 273 HD12 LEU 65 HD12 LEU 65 -5.483 -30.696 -18.093 274 HD13 LEU 65 HD13 LEU 65 -4.366 -29.430 -17.584 275 HD21 LEU 65 HD21 LEU 65 -7.248 -30.063 -17.172 276 HD22 LEU 65 HD22 LEU 65 -8.244 -28.781 -17.863 277 HD23 LEU 65 HD23 LEU 65 -7.130 -28.418 -16.544 278 H GLY 66 H GLY 66 -5.542 -24.445 -19.717 279 HA2 GLY 66 HA2 GLY 66 -4.155 -22.997 -17.682 280 HA3 GLY 66 HA3 GLY 66 -4.286 -22.544 -19.375 281 H CYS 67 H CYS 67 -7.244 -22.627 -19.263 282 HA CYS 67 HA CYS 67 -7.783 -19.952 -18.843 283 HB2 CYS 67 HB2 CYS 67 -9.316 -21.316 -20.097 284 HB3 CYS 67 HB3 CYS 67 -9.633 -22.337 -18.699 285 H ALA 68 H ALA 68 -9.197 -22.442 -16.736 286 HA ALA 68 HA ALA 68 -9.720 -20.712 -14.604 287 HB1 ALA 68 HB1 ALA 68 -10.935 -22.663 -14.500 288 HB2 ALA 68 HB2 ALA 68 -9.543 -23.679 -14.875 289 HB3 ALA 68 HB3 ALA 68 -9.703 -22.959 -13.273 290 H ALA 69 H ALA 69 -8.743 -20.640 -12.482 291 HA ALA 69 HA ALA 69 -5.821 -20.740 -12.649 292 HB1 ALA 69 HB1 ALA 69 -7.240 -18.677 -11.912 293 HB2 ALA 69 HB2 ALA 69 -7.281 -19.507 -10.357 294 HB3 ALA 69 HB3 ALA 69 -5.735 -19.061 -11.077 295 H ALA 70 H ALA 70 -8.365 -21.491 -10.258 296 HA ALA 70 HA ALA 70 -8.503 -23.072 -8.628 297 HB1 ALA 70 HB1 ALA 70 -7.186 -24.366 -10.866 298 HB2 ALA 70 HB2 ALA 70 -6.746 -25.090 -9.319 299 HB3 ALA 70 HB3 ALA 70 -8.442 -24.974 -9.788 Start of MODEL 3 1 H1 GLY 21 H1 GLY 21 8.480 6.132 -39.494 2 HA2 GLY 21 HA2 GLY 21 7.672 4.058 -38.807 3 HA3 GLY 21 HA3 GLY 21 8.080 4.476 -37.150 4 H SER 22 H SER 22 6.165 3.923 -36.200 5 HA SER 22 HA SER 22 3.679 5.010 -37.259 6 HB2 SER 22 HB2 SER 22 2.823 3.734 -35.099 7 HB3 SER 22 HB3 SER 22 3.248 2.853 -36.566 8 HG SER 22 HG SER 22 4.275 1.863 -34.860 9 H SER 23 H SER 23 2.106 5.870 -35.541 10 HA SER 23 HA SER 23 3.554 7.736 -33.776 11 HB2 SER 23 HB2 SER 23 1.356 8.183 -35.721 12 HB3 SER 23 HB3 SER 23 1.248 9.061 -34.195 13 HG SER 23 HG SER 23 2.479 10.378 -35.357 14 H GLY 24 H GLY 24 3.297 5.956 -32.197 15 HA2 GLY 24 HA2 GLY 24 0.625 5.378 -31.254 16 HA3 GLY 24 HA3 GLY 24 2.129 4.790 -30.560 17 H SER 25 H SER 25 -0.392 6.157 -29.483 18 HA SER 25 HA SER 25 0.475 8.665 -28.434 19 HB2 SER 25 HB2 SER 25 -1.823 8.590 -28.471 20 HB3 SER 25 HB3 SER 25 -1.882 6.879 -28.048 21 HG SER 25 HG SER 25 -1.096 8.922 -26.245 22 H SER 26 H SER 26 -0.080 5.494 -26.896 23 HA SER 26 HA SER 26 1.762 6.318 -24.750 24 HB2 SER 26 HB2 SER 26 -0.691 5.737 -24.206 25 HB3 SER 26 HB3 SER 26 -0.226 4.066 -24.520 26 HG SER 26 HG SER 26 0.170 4.283 -22.408 27 H GLY 27 H GLY 27 2.646 4.173 -23.622 28 HA2 GLY 27 HA2 GLY 27 4.296 2.930 -25.634 29 HA3 GLY 27 HA3 GLY 27 4.393 2.675 -23.898 30 H GLU 28 H GLU 28 1.451 2.063 -23.843 31 HA GLU 28 HA GLU 28 0.181 0.174 -23.765 32 HB2 GLU 28 HB2 GLU 28 1.433 -0.357 -26.464 33 HB3 GLU 28 HB3 GLU 28 -0.059 -1.057 -25.854 34 HG2 GLU 28 HG2 GLU 28 0.357 1.887 -26.297 35 HG3 GLU 28 HG3 GLU 28 -0.369 0.799 -27.479 36 H GLN 29 H GLN 29 1.268 -0.812 -22.038 37 HA GLN 29 HA GLN 29 3.540 -2.505 -22.465 38 HB2 GLN 29 HB2 GLN 29 1.729 -2.000 -20.116 39 HB3 GLN 29 HB3 GLN 29 2.977 -3.237 -20.066 40 HG2 GLN 29 HG2 GLN 29 3.912 -0.620 -20.980 41 HG3 GLN 29 HG3 GLN 29 3.307 -0.644 -19.325 42 HE21 GLN 29 HE21 GLN 29 5.286 -2.712 -21.429 43 HE22 GLN 29 HE22 GLN 29 6.526 -3.003 -20.262 44 H ALA 30 H ALA 30 0.207 -3.205 -21.396 45 HA ALA 30 HA ALA 30 -1.135 -5.020 -21.692 46 HB1 ALA 30 HB1 ALA 30 0.447 -4.864 -24.129 47 HB2 ALA 30 HB2 ALA 30 -0.107 -6.500 -23.772 48 HB3 ALA 30 HB3 ALA 30 -1.274 -5.185 -23.913 49 HA PRO 31 HA PRO 31 0.640 -8.412 -19.549 50 HB2 PRO 31 HB2 PRO 31 -0.887 -10.495 -20.385 51 HB3 PRO 31 HB3 PRO 31 -1.488 -9.241 -19.294 52 HG2 PRO 31 HG2 PRO 31 -1.873 -9.524 -22.249 53 HG3 PRO 31 HG3 PRO 31 -3.054 -9.074 -21.004 54 HD2 PRO 31 HD2 PRO 31 -1.843 -7.246 -22.594 55 HD3 PRO 31 HD3 PRO 31 -2.322 -6.890 -20.922 56 H GLY 32 H GLY 32 -0.063 -9.301 -22.938 57 HA2 GLY 32 HA2 GLY 32 1.448 -10.074 -24.539 58 HA3 GLY 32 HA3 GLY 32 2.689 -10.149 -23.297 59 H THR 33 H THR 33 1.722 -11.808 -21.437 60 HA THR 33 HA THR 33 2.131 -14.352 -22.530 61 HB THR 33 HB THR 33 1.074 -15.121 -20.274 62 HG1 THR 33 HG1 THR 33 0.280 -13.548 -19.117 63 HG21 THR 33 HG21 THR 33 3.635 -14.104 -21.009 64 HG22 THR 33 HG22 THR 33 3.241 -15.331 -19.806 65 HG23 THR 33 HG23 THR 33 3.298 -13.630 -19.344 66 H ALA 34 H ALA 34 -0.885 -13.040 -21.139 67 HA ALA 34 HA ALA 34 -2.389 -14.630 -23.099 68 HB1 ALA 34 HB1 ALA 34 -3.753 -15.636 -21.547 69 HB2 ALA 34 HB2 ALA 34 -2.214 -15.620 -20.685 70 HB3 ALA 34 HB3 ALA 34 -3.442 -14.409 -20.318 71 HA PRO 35 HA PRO 35 -3.775 -10.178 -22.840 72 HB2 PRO 35 HB2 PRO 35 -3.616 -9.708 -25.509 73 HB3 PRO 35 HB3 PRO 35 -2.247 -9.490 -24.412 74 HG2 PRO 35 HG2 PRO 35 -2.877 -11.790 -26.221 75 HG3 PRO 35 HG3 PRO 35 -1.321 -10.995 -25.923 76 HD2 PRO 35 HD2 PRO 35 -2.006 -13.340 -24.755 77 HD3 PRO 35 HD3 PRO 35 -0.969 -12.142 -23.955 78 H CYS 36 H CYS 36 -5.754 -11.444 -22.258 79 HA CYS 36 HA CYS 36 -7.643 -11.394 -24.507 80 HB2 CYS 36 HB2 CYS 36 -7.581 -13.535 -22.369 81 HB3 CYS 36 HB3 CYS 36 -8.723 -13.426 -23.705 82 H SER 37 H SER 37 -9.955 -11.983 -23.248 83 HA SER 37 HA SER 37 -10.199 -9.788 -21.304 84 HB2 SER 37 HB2 SER 37 -12.394 -9.414 -22.067 85 HB3 SER 37 HB3 SER 37 -11.488 -9.761 -23.540 86 HG SER 37 HG SER 37 -13.634 -10.922 -22.923 87 H ARG 38 H ARG 38 -12.477 -10.240 -20.047 88 HA ARG 38 HA ARG 38 -11.852 -12.254 -18.177 89 HB2 ARG 38 HB2 ARG 38 -13.709 -10.125 -18.393 90 HB3 ARG 38 HB3 ARG 38 -14.634 -11.580 -18.049 91 HG2 ARG 38 HG2 ARG 38 -12.294 -11.429 -16.374 92 HG3 ARG 38 HG3 ARG 38 -13.282 -9.974 -16.228 93 HD2 ARG 38 HD2 ARG 38 -14.247 -12.815 -15.913 94 HD3 ARG 38 HD3 ARG 38 -13.947 -11.674 -14.603 95 HE ARG 38 HE ARG 38 -16.266 -11.811 -16.259 96 HH11 ARG 38 HH11 ARG 38 -14.234 -9.641 -14.449 97 HH12 ARG 38 HH12 ARG 38 -15.489 -8.475 -14.186 98 HH21 ARG 38 HH21 ARG 38 -17.927 -10.285 -15.920 99 HH22 ARG 38 HH22 ARG 38 -17.590 -8.843 -15.022 100 H GLY 39 H GLY 39 -12.058 -14.376 -18.407 101 HA2 GLY 39 HA2 GLY 39 -13.243 -16.372 -18.719 102 HA3 GLY 39 HA3 GLY 39 -14.488 -15.474 -19.573 103 H SER 40 H SER 40 -10.984 -15.912 -20.060 104 HA SER 40 HA SER 40 -11.413 -17.355 -22.516 105 HB2 SER 40 HB2 SER 40 -9.897 -14.784 -22.827 106 HB3 SER 40 HB3 SER 40 -10.664 -15.780 -24.063 107 HG SER 40 HG SER 40 -11.884 -14.039 -22.198 108 H SER 41 H SER 41 -9.465 -18.214 -23.406 109 HA SER 41 HA SER 41 -7.069 -17.907 -21.737 110 HB2 SER 41 HB2 SER 41 -8.092 -19.909 -20.890 111 HB3 SER 41 HB3 SER 41 -8.379 -20.518 -22.519 112 HG SER 41 HG SER 41 -5.876 -20.152 -21.236 113 H TRP 42 H TRP 42 -5.255 -17.674 -22.880 114 HA TRP 42 HA TRP 42 -5.408 -17.864 -25.776 115 HB2 TRP 42 HB2 TRP 42 -4.394 -15.862 -24.986 116 HB3 TRP 42 HB3 TRP 42 -3.346 -16.744 -23.880 117 HD1 TRP 42 HD1 TRP 42 -1.206 -17.991 -24.950 118 HE1 TRP 42 HE1 TRP 42 0.080 -17.573 -27.141 119 HE3 TRP 42 HE3 TRP 42 -4.673 -15.137 -27.394 120 HZ2 TRP 42 HZ2 TRP 42 -0.322 -16.213 -29.581 121 HZ3 TRP 42 HZ3 TRP 42 -4.144 -14.317 -29.653 122 HH2 TRP 42 HH2 TRP 42 -2.013 -14.844 -30.722 123 H SER 43 H SER 43 -4.723 -19.564 -26.886 124 HA SER 43 HA SER 43 -3.013 -21.531 -25.535 125 HB2 SER 43 HB2 SER 43 -5.364 -21.939 -26.823 126 HB3 SER 43 HB3 SER 43 -4.228 -22.224 -28.142 127 HG SER 43 HG SER 43 -3.709 -24.046 -27.249 128 H ALA 44 H ALA 44 -0.996 -21.920 -26.203 129 HA ALA 44 HA ALA 44 0.170 -20.257 -28.226 130 HB1 ALA 44 HB1 ALA 44 2.189 -21.858 -27.671 131 HB2 ALA 44 HB2 ALA 44 1.678 -20.601 -26.543 132 HB3 ALA 44 HB3 ALA 44 1.179 -22.273 -26.286 133 H ASP 45 H ASP 45 -1.381 -23.265 -28.245 134 HA ASP 45 HA ASP 45 0.058 -24.583 -30.293 135 HB2 ASP 45 HB2 ASP 45 -2.473 -24.959 -28.864 136 HB3 ASP 45 HB3 ASP 45 -2.518 -25.522 -30.532 137 H LEU 46 H LEU 46 -3.078 -22.884 -30.445 138 HA LEU 46 HA LEU 46 -2.724 -22.595 -33.337 139 HB2 LEU 46 HB2 LEU 46 -5.074 -22.403 -31.493 140 HB3 LEU 46 HB3 LEU 46 -5.140 -21.686 -33.101 141 HG LEU 46 HG LEU 46 -4.494 -24.591 -32.658 142 HD11 LEU 46 HD11 LEU 46 -7.216 -23.557 -33.374 143 HD12 LEU 46 HD12 LEU 46 -6.744 -23.839 -31.698 144 HD13 LEU 46 HD13 LEU 46 -6.746 -25.174 -32.850 145 HD21 LEU 46 HD21 LEU 46 -5.657 -24.473 -35.043 146 HD22 LEU 46 HD22 LEU 46 -3.930 -24.189 -34.824 147 HD23 LEU 46 HD23 LEU 46 -5.036 -22.823 -34.978 148 H ASP 47 H ASP 47 -2.417 -20.837 -30.452 149 HA ASP 47 HA ASP 47 -1.863 -18.675 -30.009 150 HB2 ASP 47 HB2 ASP 47 -1.605 -18.262 -32.988 151 HB3 ASP 47 HB3 ASP 47 -0.800 -17.370 -31.700 152 H LYS 48 H LYS 48 -4.085 -18.428 -29.327 153 HA LYS 48 HA LYS 48 -5.317 -16.144 -30.417 154 HB2 LYS 48 HB2 LYS 48 -7.273 -16.995 -31.439 155 HB3 LYS 48 HB3 LYS 48 -5.941 -17.908 -32.136 156 HG2 LYS 48 HG2 LYS 48 -7.564 -18.920 -29.820 157 HG3 LYS 48 HG3 LYS 48 -7.999 -19.223 -31.503 158 HD2 LYS 48 HD2 LYS 48 -6.625 -20.971 -31.488 159 HD3 LYS 48 HD3 LYS 48 -5.272 -19.857 -31.276 160 HE2 LYS 48 HE2 LYS 48 -4.910 -20.722 -29.264 161 HE3 LYS 48 HE3 LYS 48 -6.498 -20.154 -28.753 162 HZ1 LYS 48 HZ1 LYS 48 -6.688 -22.383 -28.372 163 HZ2 LYS 48 HZ2 LYS 48 -5.681 -22.821 -29.660 164 HZ3 LYS 48 HZ3 LYS 48 -7.268 -22.320 -29.960 165 H CYS 49 H CYS 49 -7.295 -15.549 -29.270 166 HA CYS 49 HA CYS 49 -7.207 -16.503 -26.532 167 HB2 CYS 49 HB2 CYS 49 -8.532 -14.190 -27.918 168 HB3 CYS 49 HB3 CYS 49 -9.009 -14.647 -26.286 169 H MET 50 H MET 50 -8.195 -18.461 -26.385 170 HA MET 50 HA MET 50 -10.735 -18.951 -27.677 171 HB2 MET 50 HB2 MET 50 -8.976 -20.609 -25.875 172 HB3 MET 50 HB3 MET 50 -10.554 -21.160 -26.421 173 HG2 MET 50 HG2 MET 50 -8.456 -20.279 -28.365 174 HG3 MET 50 HG3 MET 50 -8.481 -21.916 -27.714 175 HE1 MET 50 HE1 MET 50 -10.761 -23.704 -28.341 176 HE2 MET 50 HE2 MET 50 -10.507 -23.714 -30.086 177 HE3 MET 50 HE3 MET 50 -9.128 -23.576 -28.995 178 H ASP 51 H ASP 51 -12.524 -19.950 -26.327 179 HA ASP 51 HA ASP 51 -12.931 -18.272 -23.947 180 HB2 ASP 51 HB2 ASP 51 -14.513 -18.347 -26.081 181 HB3 ASP 51 HB3 ASP 51 -15.187 -19.737 -25.236 182 H CYS 52 H CYS 52 -13.385 -19.149 -21.994 183 HA CYS 52 HA CYS 52 -12.579 -21.729 -21.373 184 HB2 CYS 52 HB2 CYS 52 -13.387 -19.511 -19.941 185 HB3 CYS 52 HB3 CYS 52 -14.632 -20.697 -19.561 186 H ALA 53 H ALA 53 -15.645 -20.572 -22.510 187 HA ALA 53 HA ALA 53 -17.274 -22.719 -21.687 188 HB1 ALA 53 HB1 ALA 53 -17.819 -20.370 -22.791 189 HB2 ALA 53 HB2 ALA 53 -17.868 -21.356 -24.254 190 HB3 ALA 53 HB3 ALA 53 -18.930 -21.736 -22.898 191 H SER 54 H SER 54 -14.960 -22.395 -24.238 192 HA SER 54 HA SER 54 -15.865 -24.347 -26.023 193 HB2 SER 54 HB2 SER 54 -12.980 -23.685 -25.388 194 HB3 SER 54 HB3 SER 54 -13.594 -24.411 -26.873 195 HG SER 54 HG SER 54 -13.316 -21.850 -26.334 196 H CYS 55 H CYS 55 -14.356 -24.626 -22.920 197 HA CYS 55 HA CYS 55 -13.200 -27.130 -23.009 198 HB2 CYS 55 HB2 CYS 55 -14.626 -25.643 -20.819 199 HB3 CYS 55 HB3 CYS 55 -13.981 -27.257 -20.541 200 H ARG 56 H ARG 56 -16.579 -26.265 -22.939 201 HA ARG 56 HA ARG 56 -17.765 -28.609 -22.093 202 HB2 ARG 56 HB2 ARG 56 -18.615 -26.236 -23.299 203 HB3 ARG 56 HB3 ARG 56 -19.167 -27.509 -24.380 204 HG2 ARG 56 HG2 ARG 56 -20.572 -28.425 -22.806 205 HG3 ARG 56 HG3 ARG 56 -19.661 -27.757 -21.451 206 HD2 ARG 56 HD2 ARG 56 -20.418 -25.467 -22.481 207 HD3 ARG 56 HD3 ARG 56 -21.683 -26.453 -23.213 208 HE ARG 56 HE ARG 56 -21.792 -27.166 -20.612 209 HH11 ARG 56 HH11 ARG 56 -21.808 -24.086 -22.236 210 HH12 ARG 56 HH12 ARG 56 -22.771 -23.306 -21.026 211 HH21 ARG 56 HH21 ARG 56 -23.061 -26.150 -19.012 212 HH22 ARG 56 HH22 ARG 56 -23.483 -24.481 -19.192 213 H ALA 57 H ALA 57 -16.203 -27.901 -25.131 214 HA ALA 57 HA ALA 57 -16.927 -30.579 -26.121 215 HB1 ALA 57 HB1 ALA 57 -17.647 -28.774 -27.586 216 HB2 ALA 57 HB2 ALA 57 -15.992 -28.170 -27.676 217 HB3 ALA 57 HB3 ALA 57 -16.394 -29.745 -28.359 218 H ARG 58 H ARG 58 -14.306 -28.457 -25.272 219 HA ARG 58 HA ARG 58 -12.412 -30.639 -25.842 220 HB2 ARG 58 HB2 ARG 58 -12.271 -27.756 -26.532 221 HB3 ARG 58 HB3 ARG 58 -10.784 -28.508 -25.972 222 HG2 ARG 58 HG2 ARG 58 -10.578 -29.810 -27.822 223 HG3 ARG 58 HG3 ARG 58 -12.321 -29.923 -28.072 224 HD2 ARG 58 HD2 ARG 58 -12.402 -28.028 -29.310 225 HD3 ARG 58 HD3 ARG 58 -11.129 -27.240 -28.378 226 HE ARG 58 HE ARG 58 -9.591 -28.027 -29.880 227 HH11 ARG 58 HH11 ARG 58 -12.584 -29.755 -30.297 228 HH12 ARG 58 HH12 ARG 58 -12.067 -30.564 -31.739 229 HH21 ARG 58 HH21 ARG 58 -8.898 -29.087 -31.778 230 HH22 ARG 58 HH22 ARG 58 -9.970 -30.184 -32.580 231 HA PRO 59 HA PRO 59 -12.344 -29.463 -21.332 232 HB2 PRO 59 HB2 PRO 59 -12.531 -32.010 -20.411 233 HB3 PRO 59 HB3 PRO 59 -13.945 -31.021 -20.795 234 HG2 PRO 59 HG2 PRO 59 -12.615 -33.144 -22.434 235 HG3 PRO 59 HG3 PRO 59 -14.345 -32.853 -22.171 236 HD2 PRO 59 HD2 PRO 59 -13.060 -32.061 -24.419 237 HD3 PRO 59 HD3 PRO 59 -14.425 -31.159 -23.732 238 H HIS 60 H HIS 60 -10.567 -31.529 -23.441 239 HA HIS 60 HA HIS 60 -8.332 -31.621 -21.525 240 HB2 HIS 60 HB2 HIS 60 -7.472 -33.466 -23.067 241 HB3 HIS 60 HB3 HIS 60 -8.886 -33.850 -22.090 242 HD1 HIS 60 HD1 HIS 60 -8.796 -32.022 -25.416 243 HD2 HIS 60 HD2 HIS 60 -10.256 -35.528 -23.732 244 HE1 HIS 60 HE1 HIS 60 -10.193 -33.099 -27.209 245 H SER 61 H SER 61 -8.513 -29.241 -22.632 246 HA SER 61 HA SER 61 -6.545 -29.253 -24.827 247 HB2 SER 61 HB2 SER 61 -9.023 -27.674 -24.416 248 HB3 SER 61 HB3 SER 61 -7.637 -26.798 -25.066 249 HG SER 61 HG SER 61 -7.526 -28.351 -26.731 250 H ASP 62 H ASP 62 -4.999 -27.522 -24.843 251 HA ASP 62 HA ASP 62 -3.770 -27.067 -22.376 252 HB2 ASP 62 HB2 ASP 62 -3.466 -25.706 -25.051 253 HB3 ASP 62 HB3 ASP 62 -2.467 -25.291 -23.661 254 H PHE 63 H PHE 63 -5.588 -24.772 -24.410 255 HA PHE 63 HA PHE 63 -5.504 -22.633 -22.592 256 HB2 PHE 63 HB2 PHE 63 -7.412 -21.722 -23.911 257 HB3 PHE 63 HB3 PHE 63 -6.063 -22.248 -24.912 258 HD1 PHE 63 HD1 PHE 63 -9.437 -23.171 -23.728 259 HD2 PHE 63 HD2 PHE 63 -6.333 -23.924 -26.541 260 HE1 PHE 63 HE1 PHE 63 -10.964 -24.599 -25.025 261 HE2 PHE 63 HE2 PHE 63 -7.855 -25.353 -27.843 262 HZ PHE 63 HZ PHE 63 -10.174 -25.692 -27.086 263 H CYS 64 H CYS 64 -7.523 -25.448 -22.771 264 HA CYS 64 HA CYS 64 -9.694 -24.542 -21.218 265 HB2 CYS 64 HB2 CYS 64 -9.643 -26.630 -22.620 266 HB3 CYS 64 HB3 CYS 64 -8.648 -27.373 -21.372 267 H LEU 65 H LEU 65 -6.862 -26.497 -20.280 268 HA LEU 65 HA LEU 65 -7.459 -26.380 -17.500 269 HB2 LEU 65 HB2 LEU 65 -4.901 -27.063 -18.939 270 HB3 LEU 65 HB3 LEU 65 -5.178 -27.294 -17.214 271 HG LEU 65 HG LEU 65 -6.979 -28.619 -19.201 272 HD11 LEU 65 HD11 LEU 65 -5.324 -30.610 -18.807 273 HD12 LEU 65 HD12 LEU 65 -4.148 -29.315 -18.585 274 HD13 LEU 65 HD13 LEU 65 -5.040 -29.446 -20.101 275 HD21 LEU 65 HD21 LEU 65 -6.789 -30.366 -17.286 276 HD22 LEU 65 HD22 LEU 65 -7.779 -28.925 -17.056 277 HD23 LEU 65 HD23 LEU 65 -6.165 -29.006 -16.350 278 H GLY 66 H GLY 66 -5.592 -24.403 -19.691 279 HA2 GLY 66 HA2 GLY 66 -4.176 -22.967 -17.656 280 HA3 GLY 66 HA3 GLY 66 -4.308 -22.516 -19.350 281 H CYS 67 H CYS 67 -7.267 -22.595 -19.235 282 HA CYS 67 HA CYS 67 -7.794 -19.915 -18.808 283 HB2 CYS 67 HB2 CYS 67 -9.324 -21.263 -20.083 284 HB3 CYS 67 HB3 CYS 67 -9.654 -22.294 -18.694 285 H ALA 68 H ALA 68 -9.234 -22.414 -16.728 286 HA ALA 68 HA ALA 68 -9.765 -20.698 -14.589 287 HB1 ALA 68 HB1 ALA 68 -10.986 -22.658 -14.541 288 HB2 ALA 68 HB2 ALA 68 -9.574 -23.669 -14.853 289 HB3 ALA 68 HB3 ALA 68 -9.797 -22.932 -13.267 290 H ALA 69 H ALA 69 -8.387 -19.657 -13.320 291 HA ALA 69 HA ALA 69 -5.790 -20.917 -12.723 292 HB1 ALA 69 HB1 ALA 69 -6.547 -18.037 -13.092 293 HB2 ALA 69 HB2 ALA 69 -5.076 -18.508 -12.239 294 HB3 ALA 69 HB3 ALA 69 -5.304 -18.971 -13.925 295 H ALA 70 H ALA 70 -5.719 -21.714 -10.733 296 HA ALA 70 HA ALA 70 -6.754 -20.099 -8.521 297 HB1 ALA 70 HB1 ALA 70 -7.421 -23.012 -8.929 298 HB2 ALA 70 HB2 ALA 70 -7.787 -22.075 -7.480 299 HB3 ALA 70 HB3 ALA 70 -8.544 -21.655 -9.017 Start of MODEL 4 1 H1 GLY 21 H1 GLY 21 9.706 -9.937 -5.328 2 HA2 GLY 21 HA2 GLY 21 11.416 -8.904 -7.486 3 HA3 GLY 21 HA3 GLY 21 10.401 -10.335 -7.582 4 H SER 22 H SER 22 8.175 -8.786 -6.264 5 HA SER 22 HA SER 22 6.889 -7.955 -8.652 6 HB2 SER 22 HB2 SER 22 5.794 -8.868 -6.529 7 HB3 SER 22 HB3 SER 22 5.988 -7.249 -5.859 8 HG SER 22 HG SER 22 4.350 -6.616 -7.004 9 H SER 23 H SER 23 7.918 -6.282 -9.658 10 HA SER 23 HA SER 23 8.151 -3.764 -8.145 11 HB2 SER 23 HB2 SER 23 10.091 -3.253 -9.250 12 HB3 SER 23 HB3 SER 23 10.195 -5.011 -9.352 13 HG SER 23 HG SER 23 10.483 -3.757 -11.369 14 H GLY 24 H GLY 24 8.169 -1.831 -9.838 15 HA2 GLY 24 HA2 GLY 24 6.266 -2.183 -11.995 16 HA3 GLY 24 HA3 GLY 24 5.661 -1.256 -10.630 17 H SER 25 H SER 25 6.962 0.650 -9.981 18 HA SER 25 HA SER 25 7.816 2.696 -10.493 19 HB2 SER 25 HB2 SER 25 9.725 0.839 -11.204 20 HB3 SER 25 HB3 SER 25 9.565 1.805 -12.671 21 HG SER 25 HG SER 25 9.965 2.895 -10.083 22 H SER 26 H SER 26 5.481 1.769 -11.945 23 HA SER 26 HA SER 26 4.125 2.407 -13.657 24 HB2 SER 26 HB2 SER 26 5.821 4.687 -13.079 25 HB3 SER 26 HB3 SER 26 5.351 4.660 -14.778 26 HG SER 26 HG SER 26 3.723 5.699 -13.749 27 H GLY 27 H GLY 27 4.506 0.651 -15.005 28 HA2 GLY 27 HA2 GLY 27 5.770 1.300 -17.509 29 HA3 GLY 27 HA3 GLY 27 6.633 0.067 -16.601 30 H GLU 28 H GLU 28 4.835 -1.559 -15.588 31 HA GLU 28 HA GLU 28 3.914 -3.042 -17.803 32 HB2 GLU 28 HB2 GLU 28 3.448 -3.256 -14.839 33 HB3 GLU 28 HB3 GLU 28 2.652 -4.342 -15.968 34 HG2 GLU 28 HG2 GLU 28 4.457 -5.608 -16.104 35 HG3 GLU 28 HG3 GLU 28 5.448 -4.224 -16.560 36 H GLN 29 H GLN 29 2.403 -2.151 -19.093 37 HA GLN 29 HA GLN 29 -0.019 -1.046 -17.847 38 HB2 GLN 29 HB2 GLN 29 1.241 -0.632 -20.551 39 HB3 GLN 29 HB3 GLN 29 -0.418 -0.153 -20.215 40 HG2 GLN 29 HG2 GLN 29 1.443 0.813 -18.209 41 HG3 GLN 29 HG3 GLN 29 1.838 1.376 -19.832 42 HE21 GLN 29 HE21 GLN 29 1.124 3.380 -19.992 43 HE22 GLN 29 HE22 GLN 29 -0.451 3.932 -19.548 44 H ALA 30 H ALA 30 1.075 -3.230 -20.418 45 HA ALA 30 HA ALA 30 -1.574 -4.521 -20.324 46 HB1 ALA 30 HB1 ALA 30 -0.282 -3.352 -22.538 47 HB2 ALA 30 HB2 ALA 30 -0.233 -5.099 -22.780 48 HB3 ALA 30 HB3 ALA 30 -1.777 -4.287 -22.520 49 HA PRO 31 HA PRO 31 0.350 -8.348 -19.374 50 HB2 PRO 31 HB2 PRO 31 -1.113 -10.114 -20.827 51 HB3 PRO 31 HB3 PRO 31 -1.743 -9.296 -19.392 52 HG2 PRO 31 HG2 PRO 31 -2.159 -8.639 -22.283 53 HG3 PRO 31 HG3 PRO 31 -3.337 -8.653 -20.958 54 HD2 PRO 31 HD2 PRO 31 -2.215 -6.370 -21.886 55 HD3 PRO 31 HD3 PRO 31 -2.682 -6.583 -20.186 56 H GLY 32 H GLY 32 1.403 -10.310 -20.329 57 HA2 GLY 32 HA2 GLY 32 2.283 -9.974 -23.102 58 HA3 GLY 32 HA3 GLY 32 3.515 -9.950 -21.849 59 H THR 33 H THR 33 0.647 -11.959 -21.707 60 HA THR 33 HA THR 33 2.117 -14.314 -22.574 61 HB THR 33 HB THR 33 1.303 -15.513 -20.427 62 HG1 THR 33 HG1 THR 33 0.425 -14.236 -18.998 63 HG21 THR 33 HG21 THR 33 3.527 -13.600 -19.861 64 HG22 THR 33 HG22 THR 33 3.702 -14.765 -21.173 65 HG23 THR 33 HG23 THR 33 3.420 -15.327 -19.525 66 H ALA 34 H ALA 34 -0.876 -12.989 -21.225 67 HA ALA 34 HA ALA 34 -2.390 -14.644 -23.103 68 HB1 ALA 34 HB1 ALA 34 -2.207 -15.620 -20.674 69 HB2 ALA 34 HB2 ALA 34 -3.457 -14.423 -20.331 70 HB3 ALA 34 HB3 ALA 34 -3.736 -15.663 -21.553 71 HA PRO 35 HA PRO 35 -3.762 -10.187 -22.835 72 HB2 PRO 35 HB2 PRO 35 -3.604 -9.712 -25.503 73 HB3 PRO 35 HB3 PRO 35 -2.234 -9.500 -24.407 74 HG2 PRO 35 HG2 PRO 35 -2.871 -11.795 -26.220 75 HG3 PRO 35 HG3 PRO 35 -1.312 -11.005 -25.921 76 HD2 PRO 35 HD2 PRO 35 -2.003 -13.350 -24.758 77 HD3 PRO 35 HD3 PRO 35 -0.963 -12.156 -23.955 78 H CYS 36 H CYS 36 -5.744 -11.450 -22.254 79 HA CYS 36 HA CYS 36 -7.635 -11.391 -24.503 80 HB2 CYS 36 HB2 CYS 36 -7.579 -13.534 -22.368 81 HB3 CYS 36 HB3 CYS 36 -8.719 -13.421 -23.705 82 H SER 37 H SER 37 -9.947 -11.980 -23.240 83 HA SER 37 HA SER 37 -10.182 -9.789 -21.289 84 HB2 SER 37 HB2 SER 37 -12.529 -10.972 -22.741 85 HB3 SER 37 HB3 SER 37 -12.330 -9.347 -22.086 86 HG SER 37 HG SER 37 -11.869 -8.890 -24.092 87 H ARG 38 H ARG 38 -12.444 -10.223 -20.019 88 HA ARG 38 HA ARG 38 -11.839 -12.254 -18.165 89 HB2 ARG 38 HB2 ARG 38 -13.886 -10.214 -18.512 90 HB3 ARG 38 HB3 ARG 38 -14.539 -11.692 -17.817 91 HG2 ARG 38 HG2 ARG 38 -13.860 -10.886 -15.859 92 HG3 ARG 38 HG3 ARG 38 -12.229 -11.311 -16.382 93 HD2 ARG 38 HD2 ARG 38 -11.852 -9.125 -15.924 94 HD3 ARG 38 HD3 ARG 38 -12.446 -8.931 -17.573 95 HE ARG 38 HE ARG 38 -14.687 -8.794 -16.027 96 HH11 ARG 38 HH11 ARG 38 -11.648 -7.097 -16.102 97 HH12 ARG 38 HH12 ARG 38 -12.311 -5.616 -15.494 98 HH21 ARG 38 HH21 ARG 38 -15.572 -6.850 -15.225 99 HH22 ARG 38 HH22 ARG 38 -14.543 -5.477 -14.994 100 H GLY 39 H GLY 39 -12.053 -14.373 -18.410 101 HA2 GLY 39 HA2 GLY 39 -13.252 -16.361 -18.728 102 HA3 GLY 39 HA3 GLY 39 -14.490 -15.452 -19.582 103 H SER 40 H SER 40 -10.987 -15.913 -20.062 104 HA SER 40 HA SER 40 -11.415 -17.348 -22.520 105 HB2 SER 40 HB2 SER 40 -9.897 -14.778 -22.830 106 HB3 SER 40 HB3 SER 40 -10.665 -15.773 -24.067 107 HG SER 40 HG SER 40 -11.861 -13.873 -23.644 108 H SER 41 H SER 41 -9.469 -18.212 -23.406 109 HA SER 41 HA SER 41 -7.073 -17.904 -21.737 110 HB2 SER 41 HB2 SER 41 -8.095 -19.905 -20.888 111 HB3 SER 41 HB3 SER 41 -8.387 -20.515 -22.517 112 HG SER 41 HG SER 41 -5.757 -19.920 -21.788 113 H TRP 42 H TRP 42 -5.257 -17.676 -22.878 114 HA TRP 42 HA TRP 42 -5.409 -17.865 -25.774 115 HB2 TRP 42 HB2 TRP 42 -4.393 -15.865 -24.985 116 HB3 TRP 42 HB3 TRP 42 -3.346 -16.748 -23.877 117 HD1 TRP 42 HD1 TRP 42 -1.208 -17.999 -24.947 118 HE1 TRP 42 HE1 TRP 42 0.080 -17.583 -27.136 119 HE3 TRP 42 HE3 TRP 42 -4.669 -15.140 -27.393 120 HZ2 TRP 42 HZ2 TRP 42 -0.319 -16.222 -29.577 121 HZ3 TRP 42 HZ3 TRP 42 -4.137 -14.320 -29.651 122 HH2 TRP 42 HH2 TRP 42 -2.007 -14.851 -30.718 123 H SER 43 H SER 43 -4.727 -19.567 -26.884 124 HA SER 43 HA SER 43 -3.020 -21.536 -25.531 125 HB2 SER 43 HB2 SER 43 -5.371 -21.941 -26.821 126 HB3 SER 43 HB3 SER 43 -4.235 -22.227 -28.139 127 HG SER 43 HG SER 43 -3.135 -23.651 -26.550 128 H ALA 44 H ALA 44 -1.003 -21.928 -26.199 129 HA ALA 44 HA ALA 44 0.167 -20.266 -28.221 130 HB1 ALA 44 HB1 ALA 44 1.174 -22.292 -26.287 131 HB2 ALA 44 HB2 ALA 44 2.186 -21.859 -27.665 132 HB3 ALA 44 HB3 ALA 44 1.666 -20.616 -26.528 133 H ASP 45 H ASP 45 -1.388 -23.273 -28.240 134 HA ASP 45 HA ASP 45 0.050 -24.593 -30.288 135 HB2 ASP 45 HB2 ASP 45 -2.482 -24.965 -28.860 136 HB3 ASP 45 HB3 ASP 45 -2.528 -25.527 -30.529 137 H LEU 46 H LEU 46 -3.083 -22.889 -30.441 138 HA LEU 46 HA LEU 46 -2.728 -22.600 -33.333 139 HB2 LEU 46 HB2 LEU 46 -5.078 -22.405 -31.491 140 HB3 LEU 46 HB3 LEU 46 -5.142 -21.688 -33.099 141 HG LEU 46 HG LEU 46 -4.501 -24.593 -32.656 142 HD11 LEU 46 HD11 LEU 46 -7.221 -23.556 -33.374 143 HD12 LEU 46 HD12 LEU 46 -6.750 -23.838 -31.699 144 HD13 LEU 46 HD13 LEU 46 -6.753 -25.174 -32.850 145 HD21 LEU 46 HD21 LEU 46 -5.043 -22.827 -34.977 146 HD22 LEU 46 HD22 LEU 46 -5.658 -24.479 -35.041 147 HD23 LEU 46 HD23 LEU 46 -3.932 -24.188 -34.821 148 H ASP 47 H ASP 47 -2.420 -20.843 -30.448 149 HA ASP 47 HA ASP 47 -1.863 -18.682 -30.005 150 HB2 ASP 47 HB2 ASP 47 -1.614 -18.220 -32.973 151 HB3 ASP 47 HB3 ASP 47 -0.761 -17.402 -31.666 152 H LYS 48 H LYS 48 -4.086 -18.432 -29.324 153 HA LYS 48 HA LYS 48 -5.313 -16.146 -30.415 154 HB2 LYS 48 HB2 LYS 48 -7.269 -16.994 -31.439 155 HB3 LYS 48 HB3 LYS 48 -5.939 -17.909 -32.135 156 HG2 LYS 48 HG2 LYS 48 -7.565 -18.918 -29.820 157 HG3 LYS 48 HG3 LYS 48 -7.998 -19.221 -31.504 158 HD2 LYS 48 HD2 LYS 48 -6.627 -20.972 -31.487 159 HD3 LYS 48 HD3 LYS 48 -5.273 -19.859 -31.273 160 HE2 LYS 48 HE2 LYS 48 -4.914 -20.724 -29.261 161 HE3 LYS 48 HE3 LYS 48 -6.502 -20.154 -28.751 162 HZ1 LYS 48 HZ1 LYS 48 -6.699 -22.381 -28.371 163 HZ2 LYS 48 HZ2 LYS 48 -5.686 -22.822 -29.653 164 HZ3 LYS 48 HZ3 LYS 48 -7.271 -22.320 -29.962 165 H CYS 49 H CYS 49 -7.292 -15.548 -29.270 166 HA CYS 49 HA CYS 49 -7.207 -16.503 -26.531 167 HB2 CYS 49 HB2 CYS 49 -8.527 -14.187 -27.918 168 HB3 CYS 49 HB3 CYS 49 -9.007 -14.644 -26.287 169 H MET 50 H MET 50 -8.199 -18.458 -26.384 170 HA MET 50 HA MET 50 -10.738 -18.945 -27.678 171 HB2 MET 50 HB2 MET 50 -8.983 -20.606 -25.876 172 HB3 MET 50 HB3 MET 50 -10.561 -21.155 -26.423 173 HG2 MET 50 HG2 MET 50 -8.460 -20.275 -28.366 174 HG3 MET 50 HG3 MET 50 -8.487 -21.913 -27.715 175 HE1 MET 50 HE1 MET 50 -10.772 -23.697 -28.346 176 HE2 MET 50 HE2 MET 50 -10.510 -23.707 -30.090 177 HE3 MET 50 HE3 MET 50 -9.136 -23.571 -28.994 178 H ASP 51 H ASP 51 -12.530 -19.941 -26.329 179 HA ASP 51 HA ASP 51 -12.936 -18.262 -23.951 180 HB2 ASP 51 HB2 ASP 51 -14.518 -18.339 -26.083 181 HB3 ASP 51 HB3 ASP 51 -15.190 -19.731 -25.239 182 H CYS 52 H CYS 52 -13.393 -19.136 -21.996 183 HA CYS 52 HA CYS 52 -12.581 -21.712 -21.369 184 HB2 CYS 52 HB2 CYS 52 -13.400 -19.494 -19.942 185 HB3 CYS 52 HB3 CYS 52 -14.641 -20.684 -19.563 186 H ALA 53 H ALA 53 -15.649 -20.566 -22.513 187 HA ALA 53 HA ALA 53 -17.275 -22.714 -21.690 188 HB1 ALA 53 HB1 ALA 53 -18.869 -21.487 -22.629 189 HB2 ALA 53 HB2 ALA 53 -17.621 -20.347 -23.134 190 HB3 ALA 53 HB3 ALA 53 -18.124 -21.642 -24.220 191 H SER 54 H SER 54 -14.955 -22.393 -24.238 192 HA SER 54 HA SER 54 -15.846 -24.349 -26.021 193 HB2 SER 54 HB2 SER 54 -13.025 -23.494 -25.333 194 HB3 SER 54 HB3 SER 54 -13.446 -24.516 -26.708 195 HG SER 54 HG SER 54 -14.915 -22.691 -27.274 196 H CYS 55 H CYS 55 -14.356 -24.626 -22.907 197 HA CYS 55 HA CYS 55 -13.211 -27.135 -22.984 198 HB2 CYS 55 HB2 CYS 55 -14.641 -25.638 -20.804 199 HB3 CYS 55 HB3 CYS 55 -14.001 -27.253 -20.519 200 H ARG 56 H ARG 56 -16.584 -26.256 -22.942 201 HA ARG 56 HA ARG 56 -17.789 -28.587 -22.091 202 HB2 ARG 56 HB2 ARG 56 -18.562 -26.402 -23.954 203 HB3 ARG 56 HB3 ARG 56 -19.530 -27.869 -23.988 204 HG2 ARG 56 HG2 ARG 56 -19.257 -27.286 -21.289 205 HG3 ARG 56 HG3 ARG 56 -19.503 -25.720 -22.064 206 HD2 ARG 56 HD2 ARG 56 -21.677 -26.347 -21.732 207 HD3 ARG 56 HD3 ARG 56 -21.402 -27.025 -23.336 208 HE ARG 56 HE ARG 56 -20.727 -29.049 -21.658 209 HH11 ARG 56 HH11 ARG 56 -23.547 -27.038 -22.013 210 HH12 ARG 56 HH12 ARG 56 -24.645 -28.256 -21.453 211 HH21 ARG 56 HH21 ARG 56 -22.163 -30.659 -20.920 212 HH22 ARG 56 HH22 ARG 56 -23.857 -30.315 -20.831 213 H ALA 57 H ALA 57 -16.187 -27.914 -25.112 214 HA ALA 57 HA ALA 57 -16.925 -30.589 -26.097 215 HB1 ALA 57 HB1 ALA 57 -15.994 -29.570 -28.309 216 HB2 ALA 57 HB2 ALA 57 -17.619 -29.157 -27.762 217 HB3 ALA 57 HB3 ALA 57 -16.286 -28.032 -27.498 218 H ARG 58 H ARG 58 -14.263 -28.418 -25.398 219 HA ARG 58 HA ARG 58 -12.395 -30.648 -25.873 220 HB2 ARG 58 HB2 ARG 58 -12.232 -27.771 -26.582 221 HB3 ARG 58 HB3 ARG 58 -10.752 -28.525 -26.002 222 HG2 ARG 58 HG2 ARG 58 -10.725 -30.074 -27.776 223 HG3 ARG 58 HG3 ARG 58 -12.388 -29.695 -28.231 224 HD2 ARG 58 HD2 ARG 58 -10.599 -27.383 -28.246 225 HD3 ARG 58 HD3 ARG 58 -10.138 -28.645 -29.389 226 HE ARG 58 HE ARG 58 -12.922 -28.022 -29.524 227 HH11 ARG 58 HH11 ARG 58 -9.756 -26.997 -30.545 228 HH12 ARG 58 HH12 ARG 58 -10.334 -26.178 -31.959 229 HH21 ARG 58 HH21 ARG 58 -13.696 -26.948 -31.381 230 HH22 ARG 58 HH22 ARG 58 -12.575 -26.150 -32.433 231 HA PRO 59 HA PRO 59 -12.341 -29.457 -21.368 232 HB2 PRO 59 HB2 PRO 59 -12.533 -32.001 -20.441 233 HB3 PRO 59 HB3 PRO 59 -13.945 -31.013 -20.835 234 HG2 PRO 59 HG2 PRO 59 -12.608 -33.141 -22.462 235 HG3 PRO 59 HG3 PRO 59 -14.338 -32.849 -22.208 236 HD2 PRO 59 HD2 PRO 59 -13.042 -32.064 -24.452 237 HD3 PRO 59 HD3 PRO 59 -14.411 -31.159 -23.774 238 H HIS 60 H HIS 60 -10.554 -31.527 -23.463 239 HA HIS 60 HA HIS 60 -8.330 -31.623 -21.535 240 HB2 HIS 60 HB2 HIS 60 -7.458 -33.458 -23.078 241 HB3 HIS 60 HB3 HIS 60 -8.882 -33.849 -22.119 242 HD1 HIS 60 HD1 HIS 60 -8.545 -32.146 -25.511 243 HD2 HIS 60 HD2 HIS 60 -10.447 -35.368 -23.706 244 HE1 HIS 60 HE1 HIS 60 -9.977 -33.173 -27.306 245 H SER 61 H SER 61 -8.565 -29.236 -22.684 246 HA SER 61 HA SER 61 -6.564 -29.233 -24.849 247 HB2 SER 61 HB2 SER 61 -9.035 -27.639 -24.423 248 HB3 SER 61 HB3 SER 61 -7.646 -26.785 -25.096 249 HG SER 61 HG SER 61 -8.659 -29.222 -26.134 250 H ASP 62 H ASP 62 -5.013 -27.513 -24.847 251 HA ASP 62 HA ASP 62 -3.797 -27.067 -22.372 252 HB2 ASP 62 HB2 ASP 62 -3.472 -25.719 -25.049 253 HB3 ASP 62 HB3 ASP 62 -2.491 -25.280 -23.653 254 H PHE 63 H PHE 63 -5.604 -24.768 -24.411 255 HA PHE 63 HA PHE 63 -5.520 -22.628 -22.594 256 HB2 PHE 63 HB2 PHE 63 -7.425 -21.715 -23.916 257 HB3 PHE 63 HB3 PHE 63 -6.075 -22.244 -24.914 258 HD1 PHE 63 HD1 PHE 63 -9.454 -23.157 -23.738 259 HD2 PHE 63 HD2 PHE 63 -6.344 -23.924 -26.540 260 HE1 PHE 63 HE1 PHE 63 -10.981 -24.584 -25.037 261 HE2 PHE 63 HE2 PHE 63 -7.866 -25.352 -27.844 262 HZ PHE 63 HZ PHE 63 -10.187 -25.684 -27.092 263 H CYS 64 H CYS 64 -7.542 -25.440 -22.774 264 HA CYS 64 HA CYS 64 -9.715 -24.531 -21.225 265 HB2 CYS 64 HB2 CYS 64 -9.670 -26.619 -22.624 266 HB3 CYS 64 HB3 CYS 64 -8.668 -27.363 -21.381 267 H LEU 65 H LEU 65 -6.905 -26.514 -20.274 268 HA LEU 65 HA LEU 65 -7.502 -26.381 -17.497 269 HB2 LEU 65 HB2 LEU 65 -4.946 -27.083 -18.933 270 HB3 LEU 65 HB3 LEU 65 -5.223 -27.304 -17.206 271 HG LEU 65 HG LEU 65 -7.126 -28.614 -19.070 272 HD11 LEU 65 HD11 LEU 65 -5.426 -29.494 -20.258 273 HD12 LEU 65 HD12 LEU 65 -5.282 -30.561 -18.861 274 HD13 LEU 65 HD13 LEU 65 -4.230 -29.154 -19.007 275 HD21 LEU 65 HD21 LEU 65 -7.625 -29.035 -16.853 276 HD22 LEU 65 HD22 LEU 65 -5.929 -29.116 -16.377 277 HD23 LEU 65 HD23 LEU 65 -6.654 -30.443 -17.286 278 H GLY 66 H GLY 66 -5.622 -24.416 -19.688 279 HA2 GLY 66 HA2 GLY 66 -4.201 -22.986 -17.654 280 HA3 GLY 66 HA3 GLY 66 -4.327 -22.537 -19.348 281 H CYS 67 H CYS 67 -7.286 -22.598 -19.238 282 HA CYS 67 HA CYS 67 -7.800 -19.915 -18.816 283 HB2 CYS 67 HB2 CYS 67 -9.335 -21.257 -20.091 284 HB3 CYS 67 HB3 CYS 67 -9.673 -22.283 -18.701 285 H ALA 68 H ALA 68 -9.257 -22.402 -16.735 286 HA ALA 68 HA ALA 68 -9.781 -20.680 -14.599 287 HB1 ALA 68 HB1 ALA 68 -11.015 -22.625 -14.531 288 HB2 ALA 68 HB2 ALA 68 -9.620 -23.649 -14.873 289 HB3 ALA 68 HB3 ALA 68 -9.812 -22.923 -13.277 290 H ALA 69 H ALA 69 -8.642 -20.009 -12.865 291 HA ALA 69 HA ALA 69 -6.297 -21.308 -11.907 292 HB1 ALA 69 HB1 ALA 69 -5.800 -19.766 -14.109 293 HB2 ALA 69 HB2 ALA 69 -5.461 -18.651 -12.785 294 HB3 ALA 69 HB3 ALA 69 -4.615 -20.196 -12.875 295 H ALA 70 H ALA 70 -5.904 -20.726 -9.842 296 HA ALA 70 HA ALA 70 -7.734 -19.184 -8.410 297 HB1 ALA 70 HB1 ALA 70 -4.979 -19.504 -7.339 298 HB2 ALA 70 HB2 ALA 70 -6.537 -19.734 -6.544 299 HB3 ALA 70 HB3 ALA 70 -5.928 -20.956 -7.661 Start of MODEL 5 1 H1 GLY 21 H1 GLY 21 9.120 -5.526 -18.223 2 HA2 GLY 21 HA2 GLY 21 8.273 -3.140 -16.793 3 HA3 GLY 21 HA3 GLY 21 8.112 -4.801 -16.242 4 H SER 22 H SER 22 11.012 -5.267 -16.888 5 HA SER 22 HA SER 22 12.047 -4.822 -14.319 6 HB2 SER 22 HB2 SER 22 14.204 -5.548 -15.265 7 HB3 SER 22 HB3 SER 22 12.887 -6.595 -15.793 8 HG SER 22 HG SER 22 13.933 -6.155 -17.636 9 H SER 23 H SER 23 12.091 -2.747 -13.613 10 HA SER 23 HA SER 23 12.760 -0.586 -13.373 11 HB2 SER 23 HB2 SER 23 15.057 -1.388 -15.174 12 HB3 SER 23 HB3 SER 23 15.023 -0.032 -14.047 13 HG SER 23 HG SER 23 15.423 -1.350 -12.449 14 H GLY 24 H GLY 24 10.788 -0.870 -15.212 15 HA2 GLY 24 HA2 GLY 24 10.920 1.498 -16.687 16 HA3 GLY 24 HA3 GLY 24 11.342 0.182 -17.773 17 H SER 25 H SER 25 8.822 1.907 -16.295 18 HA SER 25 HA SER 25 6.861 0.232 -17.658 19 HB2 SER 25 HB2 SER 25 6.909 -0.647 -15.366 20 HB3 SER 25 HB3 SER 25 6.626 0.974 -14.731 21 HG SER 25 HG SER 25 4.601 0.447 -14.906 22 H SER 26 H SER 26 6.896 2.101 -19.065 23 HA SER 26 HA SER 26 5.861 4.597 -17.998 24 HB2 SER 26 HB2 SER 26 7.308 3.774 -20.374 25 HB3 SER 26 HB3 SER 26 5.924 4.785 -20.789 26 HG SER 26 HG SER 26 7.431 6.253 -20.346 27 H GLY 27 H GLY 27 3.744 4.673 -17.596 28 HA2 GLY 27 HA2 GLY 27 1.572 5.041 -18.625 29 HA3 GLY 27 HA3 GLY 27 1.921 3.696 -19.701 30 H GLU 28 H GLU 28 1.300 1.688 -19.132 31 HA GLU 28 HA GLU 28 0.512 1.192 -16.353 32 HB2 GLU 28 HB2 GLU 28 -1.375 1.773 -18.242 33 HB3 GLU 28 HB3 GLU 28 -1.304 0.020 -18.348 34 HG2 GLU 28 HG2 GLU 28 -2.751 0.009 -16.667 35 HG3 GLU 28 HG3 GLU 28 -1.388 0.458 -15.643 36 H GLN 29 H GLN 29 -0.340 -1.290 -16.366 37 HA GLN 29 HA GLN 29 1.841 -2.814 -17.627 38 HB2 GLN 29 HB2 GLN 29 1.337 -4.489 -15.762 39 HB3 GLN 29 HB3 GLN 29 2.131 -2.989 -15.301 40 HG2 GLN 29 HG2 GLN 29 -0.807 -2.952 -15.188 41 HG3 GLN 29 HG3 GLN 29 -0.009 -4.025 -14.039 42 HE21 GLN 29 HE21 GLN 29 -1.336 -1.145 -14.207 43 HE22 GLN 29 HE22 GLN 29 -0.339 -0.243 -13.122 44 H ALA 30 H ALA 30 0.765 -3.282 -19.548 45 HA ALA 30 HA ALA 30 -1.836 -4.543 -19.494 46 HB1 ALA 30 HB1 ALA 30 -0.406 -4.700 -22.019 47 HB2 ALA 30 HB2 ALA 30 -1.959 -3.953 -21.641 48 HB3 ALA 30 HB3 ALA 30 -0.462 -3.062 -21.368 49 HA PRO 31 HA PRO 31 -0.632 -8.762 -19.471 50 HB2 PRO 31 HB2 PRO 31 -2.350 -9.870 -21.257 51 HB3 PRO 31 HB3 PRO 31 -2.857 -9.300 -19.663 52 HG2 PRO 31 HG2 PRO 31 -3.090 -7.945 -22.322 53 HG3 PRO 31 HG3 PRO 31 -4.281 -8.051 -21.012 54 HD2 PRO 31 HD2 PRO 31 -2.757 -5.850 -21.420 55 HD3 PRO 31 HD3 PRO 31 -3.291 -6.356 -19.804 56 H GLY 32 H GLY 32 0.379 -10.466 -20.669 57 HA2 GLY 32 HA2 GLY 32 1.164 -9.834 -23.423 58 HA3 GLY 32 HA3 GLY 32 2.436 -10.048 -22.229 59 H THR 33 H THR 33 1.437 -12.159 -20.754 60 HA THR 33 HA THR 33 2.088 -14.354 -22.459 61 HB THR 33 HB THR 33 1.519 -15.744 -20.414 62 HG1 THR 33 HG1 THR 33 1.507 -13.350 -18.945 63 HG21 THR 33 HG21 THR 33 3.482 -14.953 -19.137 64 HG22 THR 33 HG22 THR 33 3.507 -13.489 -20.119 65 HG23 THR 33 HG23 THR 33 3.803 -15.059 -20.868 66 H ALA 34 H ALA 34 -0.863 -12.901 -21.360 67 HA ALA 34 HA ALA 34 -2.388 -14.644 -23.100 68 HB1 ALA 34 HB1 ALA 34 -2.376 -15.907 -21.011 69 HB2 ALA 34 HB2 ALA 34 -3.021 -14.506 -20.154 70 HB3 ALA 34 HB3 ALA 34 -3.993 -15.311 -21.386 71 HA PRO 35 HA PRO 35 -3.763 -10.189 -22.821 72 HB2 PRO 35 HB2 PRO 35 -3.607 -9.708 -25.488 73 HB3 PRO 35 HB3 PRO 35 -2.236 -9.498 -24.392 74 HG2 PRO 35 HG2 PRO 35 -2.873 -11.789 -26.210 75 HG3 PRO 35 HG3 PRO 35 -1.314 -10.998 -25.911 76 HD2 PRO 35 HD2 PRO 35 -2.003 -13.347 -24.752 77 HD3 PRO 35 HD3 PRO 35 -0.963 -12.154 -23.947 78 H CYS 36 H CYS 36 -5.744 -11.454 -22.242 79 HA CYS 36 HA CYS 36 -7.636 -11.392 -24.489 80 HB2 CYS 36 HB2 CYS 36 -7.579 -13.539 -22.358 81 HB3 CYS 36 HB3 CYS 36 -8.718 -13.424 -23.695 82 H SER 37 H SER 37 -9.947 -11.985 -23.225 83 HA SER 37 HA SER 37 -10.186 -9.791 -21.280 84 HB2 SER 37 HB2 SER 37 -12.634 -10.912 -22.516 85 HB3 SER 37 HB3 SER 37 -12.197 -9.234 -22.195 86 HG SER 37 HG SER 37 -12.215 -9.639 -24.424 87 H ARG 38 H ARG 38 -12.507 -10.274 -20.058 88 HA ARG 38 HA ARG 38 -11.856 -12.278 -18.172 89 HB2 ARG 38 HB2 ARG 38 -13.935 -10.264 -18.531 90 HB3 ARG 38 HB3 ARG 38 -14.549 -11.742 -17.800 91 HG2 ARG 38 HG2 ARG 38 -13.372 -11.450 -15.884 92 HG3 ARG 38 HG3 ARG 38 -12.036 -10.634 -16.698 93 HD2 ARG 38 HD2 ARG 38 -14.318 -8.996 -16.990 94 HD3 ARG 38 HD3 ARG 38 -14.257 -9.503 -15.302 95 HE ARG 38 HE ARG 38 -11.701 -8.704 -15.937 96 HH11 ARG 38 HH11 ARG 38 -14.867 -7.259 -15.905 97 HH12 ARG 38 HH12 ARG 38 -14.279 -5.664 -15.571 98 HH21 ARG 38 HH21 ARG 38 -10.914 -6.609 -15.496 99 HH22 ARG 38 HH22 ARG 38 -12.030 -5.295 -15.339 100 H GLY 39 H GLY 39 -12.060 -14.400 -18.405 101 HA2 GLY 39 HA2 GLY 39 -13.245 -16.397 -18.716 102 HA3 GLY 39 HA3 GLY 39 -14.491 -15.498 -19.571 103 H SER 40 H SER 40 -10.984 -15.904 -20.066 104 HA SER 40 HA SER 40 -11.412 -17.356 -22.520 105 HB2 SER 40 HB2 SER 40 -9.894 -14.784 -22.824 106 HB3 SER 40 HB3 SER 40 -10.661 -15.777 -24.064 107 HG SER 40 HG SER 40 -12.036 -14.120 -23.821 108 H SER 41 H SER 41 -9.464 -18.215 -23.409 109 HA SER 41 HA SER 41 -7.069 -17.911 -21.738 110 HB2 SER 41 HB2 SER 41 -8.093 -19.915 -20.895 111 HB3 SER 41 HB3 SER 41 -8.379 -20.521 -22.526 112 HG SER 41 HG SER 41 -6.112 -20.619 -20.987 113 H TRP 42 H TRP 42 -5.253 -17.678 -22.877 114 HA TRP 42 HA TRP 42 -5.403 -17.861 -25.774 115 HB2 TRP 42 HB2 TRP 42 -4.390 -15.861 -24.979 116 HB3 TRP 42 HB3 TRP 42 -3.342 -16.746 -23.873 117 HD1 TRP 42 HD1 TRP 42 -1.202 -17.992 -24.944 118 HE1 TRP 42 HE1 TRP 42 0.086 -17.569 -27.132 119 HE3 TRP 42 HE3 TRP 42 -4.665 -15.132 -27.386 120 HZ2 TRP 42 HZ2 TRP 42 -0.313 -16.204 -29.571 121 HZ3 TRP 42 HZ3 TRP 42 -4.134 -14.307 -29.642 122 HH2 TRP 42 HH2 TRP 42 -2.002 -14.832 -30.710 123 H SER 43 H SER 43 -4.718 -19.559 -26.887 124 HA SER 43 HA SER 43 -3.010 -21.530 -25.538 125 HB2 SER 43 HB2 SER 43 -5.361 -21.934 -26.829 126 HB3 SER 43 HB3 SER 43 -4.225 -22.216 -28.148 127 HG SER 43 HG SER 43 -3.322 -23.869 -27.029 128 H ALA 44 H ALA 44 -0.993 -21.919 -26.207 129 HA ALA 44 HA ALA 44 0.176 -20.252 -28.225 130 HB1 ALA 44 HB1 ALA 44 1.187 -22.288 -26.302 131 HB2 ALA 44 HB2 ALA 44 2.199 -21.834 -27.674 132 HB3 ALA 44 HB3 ALA 44 1.669 -20.606 -26.525 133 H ASP 45 H ASP 45 -1.377 -23.260 -28.250 134 HA ASP 45 HA ASP 45 0.063 -24.575 -30.301 135 HB2 ASP 45 HB2 ASP 45 -2.469 -24.952 -28.874 136 HB3 ASP 45 HB3 ASP 45 -2.515 -25.510 -30.544 137 H LEU 46 H LEU 46 -3.072 -22.873 -30.452 138 HA LEU 46 HA LEU 46 -2.716 -22.578 -33.343 139 HB2 LEU 46 HB2 LEU 46 -5.067 -22.389 -31.501 140 HB3 LEU 46 HB3 LEU 46 -5.131 -21.668 -33.108 141 HG LEU 46 HG LEU 46 -4.488 -24.574 -32.669 142 HD11 LEU 46 HD11 LEU 46 -7.208 -23.539 -33.388 143 HD12 LEU 46 HD12 LEU 46 -6.739 -23.821 -31.712 144 HD13 LEU 46 HD13 LEU 46 -6.739 -25.156 -32.864 145 HD21 LEU 46 HD21 LEU 46 -5.030 -22.804 -34.987 146 HD22 LEU 46 HD22 LEU 46 -5.644 -24.455 -35.055 147 HD23 LEU 46 HD23 LEU 46 -3.918 -24.165 -34.834 148 H ASP 47 H ASP 47 -2.410 -20.827 -30.454 149 HA ASP 47 HA ASP 47 -1.855 -18.666 -30.006 150 HB2 ASP 47 HB2 ASP 47 -1.604 -18.205 -32.975 151 HB3 ASP 47 HB3 ASP 47 -0.760 -17.378 -31.669 152 H LYS 48 H LYS 48 -4.078 -18.419 -29.325 153 HA LYS 48 HA LYS 48 -5.308 -16.132 -30.412 154 HB2 LYS 48 HB2 LYS 48 -7.263 -16.979 -31.438 155 HB3 LYS 48 HB3 LYS 48 -5.931 -17.892 -32.135 156 HG2 LYS 48 HG2 LYS 48 -7.556 -18.908 -29.823 157 HG3 LYS 48 HG3 LYS 48 -7.990 -19.207 -31.507 158 HD2 LYS 48 HD2 LYS 48 -6.617 -20.957 -31.494 159 HD3 LYS 48 HD3 LYS 48 -5.264 -19.844 -31.278 160 HE2 LYS 48 HE2 LYS 48 -4.904 -20.712 -29.267 161 HE3 LYS 48 HE3 LYS 48 -6.493 -20.145 -28.757 162 HZ1 LYS 48 HZ1 LYS 48 -5.679 -22.809 -29.676 163 HZ2 LYS 48 HZ2 LYS 48 -7.269 -22.305 -29.960 164 HZ3 LYS 48 HZ3 LYS 48 -6.674 -22.377 -28.379 165 H CYS 49 H CYS 49 -7.287 -15.539 -29.266 166 HA CYS 49 HA CYS 49 -7.202 -16.499 -26.529 167 HB2 CYS 49 HB2 CYS 49 -8.523 -14.181 -27.912 168 HB3 CYS 49 HB3 CYS 49 -9.004 -14.642 -26.282 169 H MET 50 H MET 50 -8.192 -18.456 -26.388 170 HA MET 50 HA MET 50 -10.731 -18.941 -27.684 171 HB2 MET 50 HB2 MET 50 -8.975 -20.605 -25.885 172 HB3 MET 50 HB3 MET 50 -10.553 -21.154 -26.434 173 HG2 MET 50 HG2 MET 50 -8.451 -20.269 -28.373 174 HG3 MET 50 HG3 MET 50 -8.480 -21.908 -27.727 175 HE1 MET 50 HE1 MET 50 -10.502 -23.694 -30.110 176 HE2 MET 50 HE2 MET 50 -9.129 -23.563 -29.010 177 HE3 MET 50 HE3 MET 50 -10.766 -23.690 -28.366 178 H ASP 51 H ASP 51 -12.522 -19.942 -26.337 179 HA ASP 51 HA ASP 51 -12.929 -18.270 -23.954 180 HB2 ASP 51 HB2 ASP 51 -14.513 -18.219 -26.020 181 HB3 ASP 51 HB3 ASP 51 -15.131 -19.736 -25.374 182 H CYS 52 H CYS 52 -13.378 -19.151 -22.002 183 HA CYS 52 HA CYS 52 -12.574 -21.732 -21.387 184 HB2 CYS 52 HB2 CYS 52 -13.382 -19.517 -19.950 185 HB3 CYS 52 HB3 CYS 52 -14.626 -20.704 -19.572 186 H ALA 53 H ALA 53 -15.642 -20.571 -22.517 187 HA ALA 53 HA ALA 53 -17.276 -22.714 -21.698 188 HB1 ALA 53 HB1 ALA 53 -17.512 -20.774 -23.986 189 HB2 ALA 53 HB2 ALA 53 -18.752 -21.966 -23.597 190 HB3 ALA 53 HB3 ALA 53 -18.330 -20.719 -22.424 191 H SER 54 H SER 54 -14.954 -22.403 -24.245 192 HA SER 54 HA SER 54 -15.855 -24.358 -26.026 193 HB2 SER 54 HB2 SER 54 -13.038 -23.488 -25.349 194 HB3 SER 54 HB3 SER 54 -13.448 -24.534 -26.708 195 HG SER 54 HG SER 54 -13.607 -21.848 -26.514 196 H CYS 55 H CYS 55 -14.352 -24.632 -22.918 197 HA CYS 55 HA CYS 55 -13.212 -27.144 -22.997 198 HB2 CYS 55 HB2 CYS 55 -14.630 -25.642 -20.811 199 HB3 CYS 55 HB3 CYS 55 -13.987 -27.257 -20.528 200 H ARG 56 H ARG 56 -16.583 -26.258 -22.940 201 HA ARG 56 HA ARG 56 -17.788 -28.586 -22.078 202 HB2 ARG 56 HB2 ARG 56 -18.555 -26.325 -23.795 203 HB3 ARG 56 HB3 ARG 56 -19.458 -27.803 -24.098 204 HG2 ARG 56 HG2 ARG 56 -19.970 -27.895 -21.654 205 HG3 ARG 56 HG3 ARG 56 -19.233 -26.299 -21.504 206 HD2 ARG 56 HD2 ARG 56 -21.568 -25.952 -21.709 207 HD3 ARG 56 HD3 ARG 56 -20.854 -25.508 -23.259 208 HE ARG 56 HE ARG 56 -21.618 -28.187 -23.400 209 HH11 ARG 56 HH11 ARG 56 -23.083 -25.045 -23.081 210 HH12 ARG 56 HH12 ARG 56 -24.556 -25.508 -23.868 211 HH21 ARG 56 HH21 ARG 56 -23.552 -28.808 -24.438 212 HH22 ARG 56 HH22 ARG 56 -24.822 -27.649 -24.639 213 H ALA 57 H ALA 57 -16.208 -27.916 -25.114 214 HA ALA 57 HA ALA 57 -16.949 -30.597 -26.085 215 HB1 ALA 57 HB1 ALA 57 -15.915 -28.273 -27.704 216 HB2 ALA 57 HB2 ALA 57 -16.505 -29.817 -28.321 217 HB3 ALA 57 HB3 ALA 57 -17.617 -28.701 -27.529 218 H ARG 58 H ARG 58 -14.302 -28.453 -25.321 219 HA ARG 58 HA ARG 58 -12.426 -30.665 -25.842 220 HB2 ARG 58 HB2 ARG 58 -12.271 -27.788 -26.555 221 HB3 ARG 58 HB3 ARG 58 -10.788 -28.540 -25.982 222 HG2 ARG 58 HG2 ARG 58 -10.703 -30.026 -27.770 223 HG3 ARG 58 HG3 ARG 58 -12.408 -29.794 -28.163 224 HD2 ARG 58 HD2 ARG 58 -11.228 -27.261 -28.348 225 HD3 ARG 58 HD3 ARG 58 -10.099 -28.372 -29.122 226 HE ARG 58 HE ARG 58 -12.667 -28.946 -30.060 227 HH11 ARG 58 HH11 ARG 58 -10.312 -26.387 -30.205 228 HH12 ARG 58 HH12 ARG 58 -10.832 -25.819 -31.757 229 HH21 ARG 58 HH21 ARG 58 -13.362 -28.208 -32.103 230 HH22 ARG 58 HH22 ARG 58 -12.568 -26.855 -32.835 231 HA PRO 59 HA PRO 59 -12.354 -29.467 -21.339 232 HB2 PRO 59 HB2 PRO 59 -12.540 -32.010 -20.407 233 HB3 PRO 59 HB3 PRO 59 -13.954 -31.024 -20.796 234 HG2 PRO 59 HG2 PRO 59 -12.623 -33.153 -22.426 235 HG3 PRO 59 HG3 PRO 59 -14.352 -32.862 -22.164 236 HD2 PRO 59 HD2 PRO 59 -13.067 -32.079 -24.415 237 HD3 PRO 59 HD3 PRO 59 -14.433 -31.175 -23.733 238 H HIS 60 H HIS 60 -10.575 -31.540 -23.439 239 HA HIS 60 HA HIS 60 -8.340 -31.625 -21.522 240 HB2 HIS 60 HB2 HIS 60 -7.478 -33.472 -23.060 241 HB3 HIS 60 HB3 HIS 60 -8.890 -33.855 -22.081 242 HD1 HIS 60 HD1 HIS 60 -8.639 -32.151 -25.477 243 HD2 HIS 60 HD2 HIS 60 -10.429 -35.425 -23.651 244 HE1 HIS 60 HE1 HIS 60 -10.079 -33.205 -27.249 245 H SER 61 H SER 61 -8.551 -29.247 -22.661 246 HA SER 61 HA SER 61 -6.578 -29.263 -24.851 247 HB2 SER 61 HB2 SER 61 -9.027 -27.631 -24.400 248 HB3 SER 61 HB3 SER 61 -7.640 -26.825 -25.133 249 HG SER 61 HG SER 61 -7.669 -28.812 -26.564 250 H ASP 62 H ASP 62 -5.026 -27.540 -24.873 251 HA ASP 62 HA ASP 62 -3.783 -27.088 -22.414 252 HB2 ASP 62 HB2 ASP 62 -3.490 -25.675 -25.067 253 HB3 ASP 62 HB3 ASP 62 -2.449 -25.354 -23.683 254 H PHE 63 H PHE 63 -5.598 -24.782 -24.438 255 HA PHE 63 HA PHE 63 -5.501 -22.649 -22.614 256 HB2 PHE 63 HB2 PHE 63 -7.412 -21.728 -23.927 257 HB3 PHE 63 HB3 PHE 63 -6.062 -22.250 -24.929 258 HD1 PHE 63 HD1 PHE 63 -9.445 -23.158 -23.764 259 HD2 PHE 63 HD2 PHE 63 -6.326 -23.937 -26.554 260 HE1 PHE 63 HE1 PHE 63 -10.972 -24.579 -25.069 261 HE2 PHE 63 HE2 PHE 63 -7.848 -25.358 -27.864 262 HZ PHE 63 HZ PHE 63 -10.175 -25.681 -27.122 263 H CYS 64 H CYS 64 -7.533 -25.454 -22.798 264 HA CYS 64 HA CYS 64 -9.699 -24.544 -21.240 265 HB2 CYS 64 HB2 CYS 64 -9.665 -26.626 -22.644 266 HB3 CYS 64 HB3 CYS 64 -8.659 -27.377 -21.410 267 H LEU 65 H LEU 65 -6.868 -26.504 -20.310 268 HA LEU 65 HA LEU 65 -7.462 -26.396 -17.529 269 HB2 LEU 65 HB2 LEU 65 -4.888 -27.059 -18.951 270 HB3 LEU 65 HB3 LEU 65 -5.204 -27.332 -17.238 271 HG LEU 65 HG LEU 65 -7.061 -28.597 -19.174 272 HD11 LEU 65 HD11 LEU 65 -5.252 -30.546 -19.055 273 HD12 LEU 65 HD12 LEU 65 -4.158 -29.163 -19.034 274 HD13 LEU 65 HD13 LEU 65 -5.294 -29.368 -20.367 275 HD21 LEU 65 HD21 LEU 65 -5.991 -29.064 -16.447 276 HD22 LEU 65 HD22 LEU 65 -6.458 -30.475 -17.396 277 HD23 LEU 65 HD23 LEU 65 -7.639 -29.208 -17.061 278 H GLY 66 H GLY 66 -5.583 -24.420 -19.715 279 HA2 GLY 66 HA2 GLY 66 -4.170 -22.988 -17.678 280 HA3 GLY 66 HA3 GLY 66 -4.302 -22.533 -19.370 281 H CYS 67 H CYS 67 -7.261 -22.609 -19.254 282 HA CYS 67 HA CYS 67 -7.786 -19.930 -18.822 283 HB2 CYS 67 HB2 CYS 67 -9.320 -21.276 -20.094 284 HB3 CYS 67 HB3 CYS 67 -9.647 -22.308 -18.706 285 H ALA 68 H ALA 68 -9.224 -22.429 -16.741 286 HA ALA 68 HA ALA 68 -9.748 -20.714 -14.599 287 HB1 ALA 68 HB1 ALA 68 -9.582 -23.679 -14.891 288 HB2 ALA 68 HB2 ALA 68 -9.752 -22.969 -13.285 289 HB3 ALA 68 HB3 ALA 68 -10.973 -22.661 -14.520 290 H ALA 69 H ALA 69 -8.759 -20.534 -12.530 291 HA ALA 69 HA ALA 69 -6.264 -21.664 -11.866 292 HB1 ALA 69 HB1 ALA 69 -4.985 -19.431 -12.005 293 HB2 ALA 69 HB2 ALA 69 -5.174 -20.389 -13.474 294 HB3 ALA 69 HB3 ALA 69 -6.203 -18.984 -13.200 295 H ALA 70 H ALA 70 -5.557 -21.065 -9.795 296 HA ALA 70 HA ALA 70 -5.823 -20.409 -7.632 297 HB1 ALA 70 HB1 ALA 70 -5.481 -18.180 -8.822 298 HB2 ALA 70 HB2 ALA 70 -7.223 -17.958 -8.656 299 HB3 ALA 70 HB3 ALA 70 -6.216 -18.135 -7.219 Start of MODEL 6 1 H1 GLY 21 H1 GLY 21 -11.797 0.519 -26.773 2 HA2 GLY 21 HA2 GLY 21 -10.794 1.737 -24.285 3 HA3 GLY 21 HA3 GLY 21 -12.000 0.462 -24.376 4 H SER 22 H SER 22 -8.648 0.992 -25.480 5 HA SER 22 HA SER 22 -7.678 -1.226 -23.953 6 HB2 SER 22 HB2 SER 22 -8.761 -2.389 -25.879 7 HB3 SER 22 HB3 SER 22 -7.672 -1.526 -26.966 8 HG SER 22 HG SER 22 -6.663 -3.417 -26.576 9 H SER 23 H SER 23 -7.090 0.921 -26.711 10 HA SER 23 HA SER 23 -4.237 0.914 -26.293 11 HB2 SER 23 HB2 SER 23 -5.329 3.070 -27.957 12 HB3 SER 23 HB3 SER 23 -4.124 1.843 -28.349 13 HG SER 23 HG SER 23 -5.786 0.393 -28.768 14 H GLY 24 H GLY 24 -3.375 1.961 -24.627 15 HA2 GLY 24 HA2 GLY 24 -3.522 4.725 -24.285 16 HA3 GLY 24 HA3 GLY 24 -4.684 4.008 -23.178 17 H SER 25 H SER 25 -1.886 5.380 -23.030 18 HA SER 25 HA SER 25 -0.053 5.283 -21.686 19 HB2 SER 25 HB2 SER 25 -1.850 5.058 -19.961 20 HB3 SER 25 HB3 SER 25 -1.686 3.306 -20.077 21 HG SER 25 HG SER 25 0.206 5.193 -19.153 22 H SER 26 H SER 26 1.235 4.286 -23.292 23 HA SER 26 HA SER 26 1.401 1.490 -23.660 24 HB2 SER 26 HB2 SER 26 2.485 3.731 -24.894 25 HB3 SER 26 HB3 SER 26 3.889 2.904 -24.221 26 HG SER 26 HG SER 26 3.446 2.096 -26.275 27 H GLY 27 H GLY 27 3.177 0.078 -23.097 28 HA2 GLY 27 HA2 GLY 27 5.314 0.297 -21.564 29 HA3 GLY 27 HA3 GLY 27 4.067 0.566 -20.355 30 H GLU 28 H GLU 28 5.222 -1.381 -19.453 31 HA GLU 28 HA GLU 28 4.285 -3.874 -20.692 32 HB2 GLU 28 HB2 GLU 28 6.397 -3.418 -18.578 33 HB3 GLU 28 HB3 GLU 28 5.927 -4.990 -19.209 34 HG2 GLU 28 HG2 GLU 28 6.980 -2.792 -20.961 35 HG3 GLU 28 HG3 GLU 28 8.027 -3.964 -20.163 36 H GLN 29 H GLN 29 2.414 -2.269 -19.344 37 HA GLN 29 HA GLN 29 2.039 -3.422 -16.706 38 HB2 GLN 29 HB2 GLN 29 1.396 -0.987 -17.773 39 HB3 GLN 29 HB3 GLN 29 -0.149 -1.823 -17.845 40 HG2 GLN 29 HG2 GLN 29 -0.003 -2.301 -15.454 41 HG3 GLN 29 HG3 GLN 29 1.543 -1.455 -15.383 42 HE21 GLN 29 HE21 GLN 29 1.502 0.618 -14.883 43 HE22 GLN 29 HE22 GLN 29 0.117 1.648 -14.944 44 H ALA 30 H ALA 30 0.785 -3.752 -19.944 45 HA ALA 30 HA ALA 30 -1.495 -5.326 -19.180 46 HB1 ALA 30 HB1 ALA 30 -0.588 -5.596 -21.943 47 HB2 ALA 30 HB2 ALA 30 -2.147 -5.074 -21.305 48 HB3 ALA 30 HB3 ALA 30 -0.815 -3.925 -21.428 49 HA PRO 31 HA PRO 31 0.236 -9.355 -19.034 50 HB2 PRO 31 HB2 PRO 31 -1.663 -10.852 -20.269 51 HB3 PRO 31 HB3 PRO 31 -1.887 -10.151 -18.662 52 HG2 PRO 31 HG2 PRO 31 -2.864 -9.162 -21.313 53 HG3 PRO 31 HG3 PRO 31 -3.721 -9.237 -19.762 54 HD2 PRO 31 HD2 PRO 31 -2.627 -6.950 -20.714 55 HD3 PRO 31 HD3 PRO 31 -2.728 -7.310 -18.978 56 H GLY 32 H GLY 32 1.972 -9.936 -20.180 57 HA2 GLY 32 HA2 GLY 32 1.844 -9.867 -23.111 58 HA3 GLY 32 HA3 GLY 32 3.311 -9.928 -22.146 59 H THR 33 H THR 33 0.769 -12.049 -21.234 60 HA THR 33 HA THR 33 2.112 -14.285 -22.605 61 HB THR 33 HB THR 33 1.391 -15.653 -20.539 62 HG1 THR 33 HG1 THR 33 0.206 -14.269 -19.339 63 HG21 THR 33 HG21 THR 33 3.745 -14.401 -21.233 64 HG22 THR 33 HG22 THR 33 3.557 -15.610 -19.964 65 HG23 THR 33 HG23 THR 33 3.502 -13.894 -19.562 66 H ALA 34 H ALA 34 -0.869 -13.015 -21.222 67 HA ALA 34 HA ALA 34 -2.385 -14.660 -23.105 68 HB1 ALA 34 HB1 ALA 34 -2.387 -15.935 -21.030 69 HB2 ALA 34 HB2 ALA 34 -3.008 -14.534 -20.157 70 HB3 ALA 34 HB3 ALA 34 -3.999 -15.316 -21.388 71 HA PRO 35 HA PRO 35 -3.749 -10.202 -22.816 72 HB2 PRO 35 HB2 PRO 35 -3.587 -9.714 -25.481 73 HB3 PRO 35 HB3 PRO 35 -2.218 -9.510 -24.383 74 HG2 PRO 35 HG2 PRO 35 -2.858 -11.795 -26.208 75 HG3 PRO 35 HG3 PRO 35 -1.297 -11.009 -25.904 76 HD2 PRO 35 HD2 PRO 35 -1.994 -13.359 -24.753 77 HD3 PRO 35 HD3 PRO 35 -0.952 -12.171 -23.944 78 H CYS 36 H CYS 36 -5.733 -11.465 -22.243 79 HA CYS 36 HA CYS 36 -7.621 -11.394 -24.494 80 HB2 CYS 36 HB2 CYS 36 -7.571 -13.540 -22.361 81 HB3 CYS 36 HB3 CYS 36 -8.714 -13.421 -23.695 82 H SER 37 H SER 37 -9.938 -11.973 -23.239 83 HA SER 37 HA SER 37 -10.172 -9.778 -21.295 84 HB2 SER 37 HB2 SER 37 -11.462 -9.648 -23.475 85 HB3 SER 37 HB3 SER 37 -12.416 -11.015 -22.899 86 HG SER 37 HG SER 37 -13.077 -8.658 -22.463 87 H ARG 38 H ARG 38 -12.504 -10.253 -20.085 88 HA ARG 38 HA ARG 38 -11.868 -12.248 -18.188 89 HB2 ARG 38 HB2 ARG 38 -14.439 -10.736 -18.675 90 HB3 ARG 38 HB3 ARG 38 -14.147 -11.768 -17.281 91 HG2 ARG 38 HG2 ARG 38 -12.097 -9.724 -17.736 92 HG3 ARG 38 HG3 ARG 38 -13.701 -9.097 -17.352 93 HD2 ARG 38 HD2 ARG 38 -12.389 -11.262 -15.732 94 HD3 ARG 38 HD3 ARG 38 -12.131 -9.550 -15.398 95 HE ARG 38 HE ARG 38 -14.873 -9.948 -15.505 96 HH11 ARG 38 HH11 ARG 38 -12.179 -11.016 -13.575 97 HH12 ARG 38 HH12 ARG 38 -13.124 -11.223 -12.138 98 HH21 ARG 38 HH21 ARG 38 -16.127 -10.217 -13.619 99 HH22 ARG 38 HH22 ARG 38 -15.369 -10.769 -12.163 100 H GLY 39 H GLY 39 -12.077 -14.372 -18.396 101 HA2 GLY 39 HA2 GLY 39 -13.238 -16.376 -18.721 102 HA3 GLY 39 HA3 GLY 39 -14.491 -15.486 -19.573 103 H SER 40 H SER 40 -10.984 -15.914 -20.061 104 HA SER 40 HA SER 40 -11.411 -17.349 -22.521 105 HB2 SER 40 HB2 SER 40 -9.892 -14.778 -22.823 106 HB3 SER 40 HB3 SER 40 -10.661 -15.769 -24.063 107 HG SER 40 HG SER 40 -12.608 -14.958 -23.526 108 H SER 41 H SER 41 -9.466 -18.213 -23.407 109 HA SER 41 HA SER 41 -7.070 -17.909 -21.736 110 HB2 SER 41 HB2 SER 41 -8.092 -19.912 -20.893 111 HB3 SER 41 HB3 SER 41 -8.385 -20.517 -22.523 112 HG SER 41 HG SER 41 -6.351 -21.094 -21.083 113 H TRP 42 H TRP 42 -5.253 -17.680 -22.875 114 HA TRP 42 HA TRP 42 -5.403 -17.861 -25.772 115 HB2 TRP 42 HB2 TRP 42 -4.386 -15.863 -24.977 116 HB3 TRP 42 HB3 TRP 42 -3.342 -16.750 -23.871 117 HD1 TRP 42 HD1 TRP 42 -1.203 -17.999 -24.940 118 HE1 TRP 42 HE1 TRP 42 0.088 -17.579 -27.127 119 HE3 TRP 42 HE3 TRP 42 -4.659 -15.133 -27.384 120 HZ2 TRP 42 HZ2 TRP 42 -0.306 -16.213 -29.565 121 HZ3 TRP 42 HZ3 TRP 42 -4.124 -14.309 -29.640 122 HH2 TRP 42 HH2 TRP 42 -1.992 -14.838 -30.706 123 H SER 43 H SER 43 -4.726 -19.563 -26.884 124 HA SER 43 HA SER 43 -3.020 -21.537 -25.536 125 HB2 SER 43 HB2 SER 43 -5.371 -21.935 -26.830 126 HB3 SER 43 HB3 SER 43 -4.233 -22.219 -28.147 127 HG SER 43 HG SER 43 -4.020 -24.119 -27.288 128 H ALA 44 H ALA 44 -1.003 -21.929 -26.203 129 HA ALA 44 HA ALA 44 0.171 -20.262 -28.219 130 HB1 ALA 44 HB1 ALA 44 2.202 -21.807 -27.673 131 HB2 ALA 44 HB2 ALA 44 1.638 -20.632 -26.484 132 HB3 ALA 44 HB3 ALA 44 1.191 -22.331 -26.325 133 H ASP 45 H ASP 45 -1.387 -23.268 -28.247 134 HA ASP 45 HA ASP 45 0.053 -24.583 -30.297 135 HB2 ASP 45 HB2 ASP 45 -2.482 -24.957 -28.873 136 HB3 ASP 45 HB3 ASP 45 -2.526 -25.515 -30.544 137 H LEU 46 H LEU 46 -3.079 -22.876 -30.450 138 HA LEU 46 HA LEU 46 -2.719 -22.580 -33.341 139 HB2 LEU 46 HB2 LEU 46 -5.072 -22.388 -31.501 140 HB3 LEU 46 HB3 LEU 46 -5.133 -21.666 -33.108 141 HG LEU 46 HG LEU 46 -4.496 -24.573 -32.670 142 HD11 LEU 46 HD11 LEU 46 -7.213 -23.531 -33.390 143 HD12 LEU 46 HD12 LEU 46 -6.745 -23.818 -31.714 144 HD13 LEU 46 HD13 LEU 46 -6.748 -25.151 -32.869 145 HD21 LEU 46 HD21 LEU 46 -5.033 -22.800 -34.988 146 HD22 LEU 46 HD22 LEU 46 -5.649 -24.452 -35.057 147 HD23 LEU 46 HD23 LEU 46 -3.923 -24.163 -34.834 148 H ASP 47 H ASP 47 -2.413 -20.831 -30.451 149 HA ASP 47 HA ASP 47 -1.855 -18.671 -30.001 150 HB2 ASP 47 HB2 ASP 47 -1.618 -18.112 -32.944 151 HB3 ASP 47 HB3 ASP 47 -0.685 -17.437 -31.611 152 H LYS 48 H LYS 48 -4.078 -18.421 -29.322 153 HA LYS 48 HA LYS 48 -5.302 -16.131 -30.409 154 HB2 LYS 48 HB2 LYS 48 -7.258 -16.974 -31.437 155 HB3 LYS 48 HB3 LYS 48 -5.927 -17.889 -32.134 156 HG2 LYS 48 HG2 LYS 48 -7.556 -18.903 -29.823 157 HG3 LYS 48 HG3 LYS 48 -7.989 -19.201 -31.508 158 HD2 LYS 48 HD2 LYS 48 -6.619 -20.953 -31.495 159 HD3 LYS 48 HD3 LYS 48 -5.264 -19.842 -31.277 160 HE2 LYS 48 HE2 LYS 48 -4.908 -20.713 -29.266 161 HE3 LYS 48 HE3 LYS 48 -6.496 -20.143 -28.757 162 HZ1 LYS 48 HZ1 LYS 48 -5.685 -22.809 -29.672 163 HZ2 LYS 48 HZ2 LYS 48 -7.272 -22.302 -29.968 164 HZ3 LYS 48 HZ3 LYS 48 -6.689 -22.373 -28.382 165 H CYS 49 H CYS 49 -7.281 -15.534 -29.265 166 HA CYS 49 HA CYS 49 -7.201 -16.495 -26.528 167 HB2 CYS 49 HB2 CYS 49 -8.520 -14.176 -27.911 168 HB3 CYS 49 HB3 CYS 49 -8.997 -14.635 -26.280 169 H MET 50 H MET 50 -8.194 -18.450 -26.387 170 HA MET 50 HA MET 50 -10.733 -18.931 -27.685 171 HB2 MET 50 HB2 MET 50 -8.980 -20.599 -25.886 172 HB3 MET 50 HB3 MET 50 -10.558 -21.145 -26.437 173 HG2 MET 50 HG2 MET 50 -8.455 -20.261 -28.374 174 HG3 MET 50 HG3 MET 50 -8.485 -21.901 -27.729 175 HE1 MET 50 HE1 MET 50 -10.771 -23.680 -28.369 176 HE2 MET 50 HE2 MET 50 -10.509 -23.684 -30.113 177 HE3 MET 50 HE3 MET 50 -9.135 -23.554 -29.015 178 H ASP 51 H ASP 51 -12.525 -19.931 -26.340 179 HA ASP 51 HA ASP 51 -12.932 -18.258 -23.957 180 HB2 ASP 51 HB2 ASP 51 -14.520 -18.156 -25.985 181 HB3 ASP 51 HB3 ASP 51 -15.107 -19.723 -25.435 182 H CYS 52 H CYS 52 -13.391 -19.136 -22.005 183 HA CYS 52 HA CYS 52 -12.579 -21.713 -21.381 184 HB2 CYS 52 HB2 CYS 52 -13.402 -19.500 -19.951 185 HB3 CYS 52 HB3 CYS 52 -14.647 -20.689 -19.581 186 H ALA 53 H ALA 53 -15.649 -20.567 -22.525 187 HA ALA 53 HA ALA 53 -17.277 -22.714 -21.712 188 HB1 ALA 53 HB1 ALA 53 -18.267 -21.783 -24.169 189 HB2 ALA 53 HB2 ALA 53 -18.786 -21.319 -22.548 190 HB3 ALA 53 HB3 ALA 53 -17.532 -20.392 -23.371 191 H SER 54 H SER 54 -14.940 -22.404 -24.245 192 HA SER 54 HA SER 54 -15.818 -24.366 -26.027 193 HB2 SER 54 HB2 SER 54 -12.984 -23.568 -25.322 194 HB3 SER 54 HB3 SER 54 -13.444 -24.519 -26.733 195 HG SER 54 HG SER 54 -14.155 -21.838 -26.146 196 H CYS 55 H CYS 55 -14.359 -24.636 -22.900 197 HA CYS 55 HA CYS 55 -13.225 -27.154 -22.965 198 HB2 CYS 55 HB2 CYS 55 -14.646 -25.637 -20.792 199 HB3 CYS 55 HB3 CYS 55 -14.011 -27.253 -20.500 200 H ARG 56 H ARG 56 -16.587 -26.248 -22.955 201 HA ARG 56 HA ARG 56 -17.822 -28.554 -22.078 202 HB2 ARG 56 HB2 ARG 56 -19.763 -27.840 -23.241 203 HB3 ARG 56 HB3 ARG 56 -18.914 -26.377 -22.762 204 HG2 ARG 56 HG2 ARG 56 -17.906 -26.363 -25.083 205 HG3 ARG 56 HG3 ARG 56 -19.083 -27.613 -25.491 206 HD2 ARG 56 HD2 ARG 56 -20.510 -25.580 -24.177 207 HD3 ARG 56 HD3 ARG 56 -19.433 -24.771 -25.315 208 HE ARG 56 HE ARG 56 -20.813 -26.970 -26.504 209 HH11 ARG 56 HH11 ARG 56 -21.113 -23.627 -25.580 210 HH12 ARG 56 HH12 ARG 56 -22.332 -23.275 -26.760 211 HH21 ARG 56 HH21 ARG 56 -22.417 -26.519 -28.062 212 HH22 ARG 56 HH22 ARG 56 -23.073 -24.921 -28.171 213 H ALA 57 H ALA 57 -16.204 -27.935 -25.108 214 HA ALA 57 HA ALA 57 -16.944 -30.627 -26.045 215 HB1 ALA 57 HB1 ALA 57 -16.430 -28.070 -27.452 216 HB2 ALA 57 HB2 ALA 57 -15.918 -29.556 -28.253 217 HB3 ALA 57 HB3 ALA 57 -17.607 -29.339 -27.795 218 H ARG 58 H ARG 58 -14.272 -28.426 -25.443 219 HA ARG 58 HA ARG 58 -12.405 -30.666 -25.874 220 HB2 ARG 58 HB2 ARG 58 -12.247 -27.791 -26.591 221 HB3 ARG 58 HB3 ARG 58 -10.767 -28.541 -26.009 222 HG2 ARG 58 HG2 ARG 58 -10.733 -30.092 -27.779 223 HG3 ARG 58 HG3 ARG 58 -12.398 -29.724 -28.233 224 HD2 ARG 58 HD2 ARG 58 -11.560 -27.355 -28.693 225 HD3 ARG 58 HD3 ARG 58 -9.939 -28.040 -28.602 226 HE ARG 58 HE ARG 58 -11.328 -29.621 -30.380 227 HH11 ARG 58 HH11 ARG 58 -10.439 -26.264 -30.132 228 HH12 ARG 58 HH12 ARG 58 -10.365 -26.022 -31.845 229 HH21 ARG 58 HH21 ARG 58 -11.234 -29.314 -32.639 230 HH22 ARG 58 HH22 ARG 58 -10.818 -27.757 -33.271 231 HA PRO 59 HA PRO 59 -12.356 -29.460 -21.373 232 HB2 PRO 59 HB2 PRO 59 -12.547 -32.001 -20.437 233 HB3 PRO 59 HB3 PRO 59 -13.959 -31.016 -20.835 234 HG2 PRO 59 HG2 PRO 59 -12.619 -33.148 -22.454 235 HG3 PRO 59 HG3 PRO 59 -14.350 -32.857 -22.202 236 HD2 PRO 59 HD2 PRO 59 -13.053 -32.078 -24.448 237 HD3 PRO 59 HD3 PRO 59 -14.423 -31.173 -23.774 238 H HIS 60 H HIS 60 -10.566 -31.537 -23.459 239 HA HIS 60 HA HIS 60 -8.343 -31.623 -21.530 240 HB2 HIS 60 HB2 HIS 60 -7.469 -33.468 -23.054 241 HB3 HIS 60 HB3 HIS 60 -8.902 -33.851 -22.106 242 HD1 HIS 60 HD1 HIS 60 -8.663 -32.070 -25.457 243 HD2 HIS 60 HD2 HIS 60 -10.325 -35.472 -23.745 244 HE1 HIS 60 HE1 HIS 60 -10.048 -33.127 -27.271 245 H SER 61 H SER 61 -8.575 -29.241 -22.688 246 HA SER 61 HA SER 61 -6.579 -29.250 -24.857 247 HB2 SER 61 HB2 SER 61 -9.038 -27.635 -24.421 248 HB3 SER 61 HB3 SER 61 -7.649 -26.806 -25.124 249 HG SER 61 HG SER 61 -7.972 -27.839 -26.923 250 H ASP 62 H ASP 62 -5.031 -27.521 -24.867 251 HA ASP 62 HA ASP 62 -3.803 -27.075 -22.397 252 HB2 ASP 62 HB2 ASP 62 -3.491 -25.702 -25.067 253 HB3 ASP 62 HB3 ASP 62 -2.486 -25.308 -23.674 254 H PHE 63 H PHE 63 -5.609 -24.771 -24.433 255 HA PHE 63 HA PHE 63 -5.522 -22.635 -22.611 256 HB2 PHE 63 HB2 PHE 63 -7.426 -21.717 -23.933 257 HB3 PHE 63 HB3 PHE 63 -6.075 -22.244 -24.931 258 HD1 PHE 63 HD1 PHE 63 -9.457 -23.152 -23.762 259 HD2 PHE 63 HD2 PHE 63 -6.343 -23.925 -26.558 260 HE1 PHE 63 HE1 PHE 63 -10.985 -24.575 -25.065 261 HE2 PHE 63 HE2 PHE 63 -7.866 -25.348 -27.866 262 HZ PHE 63 HZ PHE 63 -10.190 -25.674 -27.121 263 H CYS 64 H CYS 64 -7.550 -25.443 -22.798 264 HA CYS 64 HA CYS 64 -9.721 -24.532 -21.247 265 HB2 CYS 64 HB2 CYS 64 -9.695 -26.610 -22.650 266 HB3 CYS 64 HB3 CYS 64 -8.678 -27.364 -21.426 267 H LEU 65 H LEU 65 -6.901 -26.503 -20.309 268 HA LEU 65 HA LEU 65 -7.501 -26.390 -17.529 269 HB2 LEU 65 HB2 LEU 65 -4.997 -27.129 -19.028 270 HB3 LEU 65 HB3 LEU 65 -5.157 -27.254 -17.278 271 HG LEU 65 HG LEU 65 -6.737 -28.794 -19.336 272 HD11 LEU 65 HD11 LEU 65 -5.461 -30.590 -17.733 273 HD12 LEU 65 HD12 LEU 65 -4.264 -29.301 -17.859 274 HD13 LEU 65 HD13 LEU 65 -4.895 -30.064 -19.319 275 HD21 LEU 65 HD21 LEU 65 -7.476 -30.052 -17.239 276 HD22 LEU 65 HD22 LEU 65 -8.214 -28.479 -17.546 277 HD23 LEU 65 HD23 LEU 65 -6.932 -28.632 -16.344 278 H GLY 66 H GLY 66 -5.625 -24.413 -19.713 279 HA2 GLY 66 HA2 GLY 66 -4.206 -22.988 -17.672 280 HA3 GLY 66 HA3 GLY 66 -4.333 -22.533 -19.365 281 H CYS 67 H CYS 67 -7.292 -22.599 -19.257 282 HA CYS 67 HA CYS 67 -7.809 -19.919 -18.824 283 HB2 CYS 67 HB2 CYS 67 -9.342 -21.257 -20.105 284 HB3 CYS 67 HB3 CYS 67 -9.679 -22.290 -18.719 285 H ALA 68 H ALA 68 -9.264 -22.417 -16.753 286 HA ALA 68 HA ALA 68 -9.792 -20.704 -14.610 287 HB1 ALA 68 HB1 ALA 68 -11.019 -22.665 -14.580 288 HB2 ALA 68 HB2 ALA 68 -9.604 -23.677 -14.874 289 HB3 ALA 68 HB3 ALA 68 -9.844 -22.935 -13.292 290 H ALA 69 H ALA 69 -8.495 -19.768 -13.183 291 HA ALA 69 HA ALA 69 -5.968 -21.095 -12.471 292 HB1 ALA 69 HB1 ALA 69 -5.729 -19.159 -14.129 293 HB2 ALA 69 HB2 ALA 69 -6.143 -18.115 -12.769 294 HB3 ALA 69 HB3 ALA 69 -4.709 -19.139 -12.690 295 H ALA 70 H ALA 70 -8.135 -21.441 -10.912 296 HA ALA 70 HA ALA 70 -8.129 -19.430 -8.806 297 HB1 ALA 70 HB1 ALA 70 -9.659 -21.994 -8.652 298 HB2 ALA 70 HB2 ALA 70 -10.063 -20.405 -8.000 299 HB3 ALA 70 HB3 ALA 70 -10.193 -20.706 -9.733 Start of MODEL 7 1 H1 GLY 21 H1 GLY 21 1.043 -8.021 -29.611 2 HA2 GLY 21 HA2 GLY 21 3.283 -7.671 -30.698 3 HA3 GLY 21 HA3 GLY 21 2.185 -8.639 -31.670 4 H SER 22 H SER 22 2.008 -5.160 -31.089 5 HA SER 22 HA SER 22 1.865 -4.687 -33.935 6 HB2 SER 22 HB2 SER 22 1.619 -2.914 -31.510 7 HB3 SER 22 HB3 SER 22 1.662 -2.251 -33.143 8 HG SER 22 HG SER 22 -0.479 -2.664 -32.347 9 H SER 23 H SER 23 4.216 -4.424 -31.399 10 HA SER 23 HA SER 23 6.413 -3.834 -31.372 11 HB2 SER 23 HB2 SER 23 6.525 -5.496 -33.210 12 HB3 SER 23 HB3 SER 23 6.227 -4.204 -34.373 13 HG SER 23 HG SER 23 8.501 -4.834 -33.939 14 H GLY 24 H GLY 24 6.236 -1.728 -30.674 15 HA2 GLY 24 HA2 GLY 24 7.274 0.304 -32.256 16 HA3 GLY 24 HA3 GLY 24 5.526 0.448 -32.353 17 H SER 25 H SER 25 4.450 1.434 -30.739 18 HA SER 25 HA SER 25 5.831 1.887 -28.194 19 HB2 SER 25 HB2 SER 25 5.024 4.283 -28.255 20 HB3 SER 25 HB3 SER 25 6.313 3.902 -29.396 21 HG SER 25 HG SER 25 4.523 5.126 -30.283 22 H SER 26 H SER 26 4.302 0.238 -27.520 23 HA SER 26 HA SER 26 1.967 1.372 -26.355 24 HB2 SER 26 HB2 SER 26 0.644 -0.653 -27.660 25 HB3 SER 26 HB3 SER 26 0.569 1.053 -28.100 26 HG SER 26 HG SER 26 1.158 -0.496 -29.813 27 H GLY 27 H GLY 27 0.639 -0.378 -25.227 28 HA2 GLY 27 HA2 GLY 27 0.563 -2.580 -24.282 29 HA3 GLY 27 HA3 GLY 27 2.292 -2.719 -24.562 30 H GLU 28 H GLU 28 0.284 -0.264 -22.937 31 HA GLU 28 HA GLU 28 2.166 0.228 -20.904 32 HB2 GLU 28 HB2 GLU 28 -0.760 0.838 -21.210 33 HB3 GLU 28 HB3 GLU 28 0.087 1.223 -19.719 34 HG2 GLU 28 HG2 GLU 28 1.060 2.169 -22.392 35 HG3 GLU 28 HG3 GLU 28 -0.129 3.066 -21.450 36 H GLN 29 H GLN 29 2.837 -1.376 -19.611 37 HA GLN 29 HA GLN 29 2.824 -3.084 -18.107 38 HB2 GLN 29 HB2 GLN 29 1.406 -1.157 -17.002 39 HB3 GLN 29 HB3 GLN 29 0.083 -2.296 -17.213 40 HG2 GLN 29 HG2 GLN 29 1.636 -3.976 -16.031 41 HG3 GLN 29 HG3 GLN 29 2.532 -2.547 -15.518 42 HE21 GLN 29 HE21 GLN 29 1.781 -3.671 -13.437 43 HE22 GLN 29 HE22 GLN 29 0.303 -3.082 -12.763 44 H ALA 30 H ALA 30 1.966 -3.802 -20.661 45 HA ALA 30 HA ALA 30 -0.453 -5.232 -20.731 46 HB1 ALA 30 HB1 ALA 30 0.118 -5.681 -22.846 47 HB2 ALA 30 HB2 ALA 30 1.489 -4.610 -22.554 48 HB3 ALA 30 HB3 ALA 30 1.680 -6.354 -22.380 49 HA PRO 31 HA PRO 31 0.303 -8.976 -18.571 50 HB2 PRO 31 HB2 PRO 31 -0.908 -10.819 -20.155 51 HB3 PRO 31 HB3 PRO 31 -1.807 -9.645 -19.186 52 HG2 PRO 31 HG2 PRO 31 -1.125 -9.570 -22.099 53 HG3 PRO 31 HG3 PRO 31 -2.652 -9.160 -21.297 54 HD2 PRO 31 HD2 PRO 31 -0.883 -7.278 -22.108 55 HD3 PRO 31 HD3 PRO 31 -1.911 -7.068 -20.676 56 H GLY 32 H GLY 32 0.925 -9.270 -22.069 57 HA2 GLY 32 HA2 GLY 32 2.594 -10.336 -23.228 58 HA3 GLY 32 HA3 GLY 32 3.592 -10.053 -21.810 59 H THR 33 H THR 33 0.688 -12.059 -22.177 60 HA THR 33 HA THR 33 2.095 -14.525 -22.247 61 HB THR 33 HB THR 33 2.615 -14.100 -19.938 62 HG1 THR 33 HG1 THR 33 1.677 -15.942 -19.060 63 HG21 THR 33 HG21 THR 33 -0.337 -13.787 -19.405 64 HG22 THR 33 HG22 THR 33 0.774 -12.430 -19.587 65 HG23 THR 33 HG23 THR 33 0.990 -13.574 -18.263 66 H ALA 34 H ALA 34 -0.883 -12.841 -21.372 67 HA ALA 34 HA ALA 34 -2.404 -14.614 -23.073 68 HB1 ALA 34 HB1 ALA 34 -2.224 -15.624 -20.684 69 HB2 ALA 34 HB2 ALA 34 -3.414 -14.389 -20.271 70 HB3 ALA 34 HB3 ALA 34 -3.785 -15.593 -21.504 71 HA PRO 35 HA PRO 35 -3.800 -10.164 -22.819 72 HB2 PRO 35 HB2 PRO 35 -3.649 -9.698 -25.489 73 HB3 PRO 35 HB3 PRO 35 -2.278 -9.475 -24.396 74 HG2 PRO 35 HG2 PRO 35 -2.906 -11.780 -26.200 75 HG3 PRO 35 HG3 PRO 35 -1.351 -10.980 -25.906 76 HD2 PRO 35 HD2 PRO 35 -2.027 -13.325 -24.733 77 HD3 PRO 35 HD3 PRO 35 -0.992 -12.122 -23.937 78 H CYS 36 H CYS 36 -5.774 -11.436 -22.230 79 HA CYS 36 HA CYS 36 -7.676 -11.372 -24.466 80 HB2 CYS 36 HB2 CYS 36 -7.611 -13.552 -22.371 81 HB3 CYS 36 HB3 CYS 36 -8.724 -13.432 -23.730 82 H SER 37 H SER 37 -9.979 -11.982 -23.226 83 HA SER 37 HA SER 37 -10.216 -9.855 -21.208 84 HB2 SER 37 HB2 SER 37 -12.634 -9.812 -21.869 85 HB3 SER 37 HB3 SER 37 -11.532 -9.381 -23.176 86 HG SER 37 HG SER 37 -12.290 -11.000 -24.260 87 H ARG 38 H ARG 38 -12.270 -10.244 -19.780 88 HA ARG 38 HA ARG 38 -11.728 -12.382 -18.077 89 HB2 ARG 38 HB2 ARG 38 -13.924 -11.862 -17.038 90 HB3 ARG 38 HB3 ARG 38 -12.921 -10.439 -17.286 91 HG2 ARG 38 HG2 ARG 38 -14.229 -10.083 -19.435 92 HG3 ARG 38 HG3 ARG 38 -15.356 -11.290 -18.814 93 HD2 ARG 38 HD2 ARG 38 -16.287 -9.825 -17.417 94 HD3 ARG 38 HD3 ARG 38 -14.716 -9.297 -16.817 95 HE ARG 38 HE ARG 38 -14.884 -7.463 -18.159 96 HH11 ARG 38 HH11 ARG 38 -17.036 -9.921 -19.363 97 HH12 ARG 38 HH12 ARG 38 -17.731 -8.901 -20.578 98 HH21 ARG 38 HH21 ARG 38 -15.792 -6.110 -19.755 99 HH22 ARG 38 HH22 ARG 38 -17.023 -6.734 -20.801 100 H GLY 39 H GLY 39 -11.995 -14.484 -18.402 101 HA2 GLY 39 HA2 GLY 39 -13.299 -16.417 -18.731 102 HA3 GLY 39 HA3 GLY 39 -14.486 -15.444 -19.587 103 H SER 40 H SER 40 -10.988 -15.884 -20.073 104 HA SER 40 HA SER 40 -11.414 -17.348 -22.523 105 HB2 SER 40 HB2 SER 40 -9.900 -14.775 -22.833 106 HB3 SER 40 HB3 SER 40 -10.669 -15.770 -24.069 107 HG SER 40 HG SER 40 -12.493 -14.764 -23.742 108 H SER 41 H SER 41 -9.472 -18.218 -23.402 109 HA SER 41 HA SER 41 -7.074 -17.902 -21.736 110 HB2 SER 41 HB2 SER 41 -8.092 -19.903 -20.884 111 HB3 SER 41 HB3 SER 41 -8.386 -20.514 -22.512 112 HG SER 41 HG SER 41 -5.757 -19.920 -21.770 113 H TRP 42 H TRP 42 -5.258 -17.674 -22.878 114 HA TRP 42 HA TRP 42 -5.410 -17.866 -25.773 115 HB2 TRP 42 HB2 TRP 42 -4.395 -15.864 -24.985 116 HB3 TRP 42 HB3 TRP 42 -3.347 -16.747 -23.878 117 HD1 TRP 42 HD1 TRP 42 -1.209 -17.998 -24.947 118 HE1 TRP 42 HE1 TRP 42 0.078 -17.583 -27.137 119 HE3 TRP 42 HE3 TRP 42 -4.671 -15.141 -27.393 120 HZ2 TRP 42 HZ2 TRP 42 -0.322 -16.223 -29.578 121 HZ3 TRP 42 HZ3 TRP 42 -4.141 -14.322 -29.652 122 HH2 TRP 42 HH2 TRP 42 -2.010 -14.853 -30.720 123 H SER 43 H SER 43 -4.729 -19.568 -26.882 124 HA SER 43 HA SER 43 -3.021 -21.536 -25.529 125 HB2 SER 43 HB2 SER 43 -5.373 -21.943 -26.816 126 HB3 SER 43 HB3 SER 43 -4.238 -22.229 -28.135 127 HG SER 43 HG SER 43 -3.261 -23.827 -26.919 128 H ALA 44 H ALA 44 -1.004 -21.928 -26.197 129 HA ALA 44 HA ALA 44 0.164 -20.268 -28.221 130 HB1 ALA 44 HB1 ALA 44 1.633 -20.629 -26.487 131 HB2 ALA 44 HB2 ALA 44 1.190 -22.329 -26.323 132 HB3 ALA 44 HB3 ALA 44 2.199 -21.807 -27.672 133 H ASP 45 H ASP 45 -1.389 -23.276 -28.236 134 HA ASP 45 HA ASP 45 0.048 -24.598 -30.284 135 HB2 ASP 45 HB2 ASP 45 -2.484 -24.969 -28.854 136 HB3 ASP 45 HB3 ASP 45 -2.531 -25.532 -30.522 137 H LEU 46 H LEU 46 -3.086 -22.894 -30.438 138 HA LEU 46 HA LEU 46 -2.731 -22.607 -33.330 139 HB2 LEU 46 HB2 LEU 46 -5.081 -22.411 -31.487 140 HB3 LEU 46 HB3 LEU 46 -5.145 -21.695 -33.096 141 HG LEU 46 HG LEU 46 -4.504 -24.600 -32.650 142 HD11 LEU 46 HD11 LEU 46 -6.753 -23.843 -31.693 143 HD12 LEU 46 HD12 LEU 46 -6.757 -25.180 -32.842 144 HD13 LEU 46 HD13 LEU 46 -7.224 -23.564 -33.370 145 HD21 LEU 46 HD21 LEU 46 -3.938 -24.201 -34.816 146 HD22 LEU 46 HD22 LEU 46 -5.043 -22.835 -34.972 147 HD23 LEU 46 HD23 LEU 46 -5.666 -24.484 -35.035 148 H ASP 47 H ASP 47 -2.422 -20.848 -30.446 149 HA ASP 47 HA ASP 47 -1.865 -18.686 -30.005 150 HB2 ASP 47 HB2 ASP 47 -1.620 -18.209 -32.970 151 HB3 ASP 47 HB3 ASP 47 -0.751 -17.417 -31.659 152 H LYS 48 H LYS 48 -4.088 -18.436 -29.324 153 HA LYS 48 HA LYS 48 -5.315 -16.151 -30.416 154 HB2 LYS 48 HB2 LYS 48 -7.272 -16.999 -31.439 155 HB3 LYS 48 HB3 LYS 48 -5.941 -17.915 -32.135 156 HG2 LYS 48 HG2 LYS 48 -7.567 -18.922 -29.819 157 HG3 LYS 48 HG3 LYS 48 -8.001 -19.226 -31.502 158 HD2 LYS 48 HD2 LYS 48 -6.630 -20.977 -31.484 159 HD3 LYS 48 HD3 LYS 48 -5.275 -19.865 -31.272 160 HE2 LYS 48 HE2 LYS 48 -4.915 -20.727 -29.259 161 HE3 LYS 48 HE3 LYS 48 -6.504 -20.158 -28.750 162 HZ1 LYS 48 HZ1 LYS 48 -6.700 -22.384 -28.368 163 HZ2 LYS 48 HZ2 LYS 48 -5.687 -22.826 -29.649 164 HZ3 LYS 48 HZ3 LYS 48 -7.272 -22.325 -29.959 165 H CYS 49 H CYS 49 -7.294 -15.553 -29.272 166 HA CYS 49 HA CYS 49 -7.209 -16.505 -26.532 167 HB2 CYS 49 HB2 CYS 49 -8.526 -14.190 -27.921 168 HB3 CYS 49 HB3 CYS 49 -9.010 -14.646 -26.291 169 H MET 50 H MET 50 -8.201 -18.460 -26.382 170 HA MET 50 HA MET 50 -10.740 -18.947 -27.676 171 HB2 MET 50 HB2 MET 50 -8.985 -20.607 -25.872 172 HB3 MET 50 HB3 MET 50 -10.563 -21.156 -26.419 173 HG2 MET 50 HG2 MET 50 -8.462 -20.279 -28.361 174 HG3 MET 50 HG3 MET 50 -8.490 -21.916 -27.710 175 HE1 MET 50 HE1 MET 50 -10.516 -23.710 -30.085 176 HE2 MET 50 HE2 MET 50 -9.139 -23.575 -28.991 177 HE3 MET 50 HE3 MET 50 -10.773 -23.699 -28.339 178 H ASP 51 H ASP 51 -12.531 -19.944 -26.325 179 HA ASP 51 HA ASP 51 -12.938 -18.261 -23.949 180 HB2 ASP 51 HB2 ASP 51 -14.521 -18.357 -26.089 181 HB3 ASP 51 HB3 ASP 51 -15.198 -19.732 -25.219 182 H CYS 52 H CYS 52 -13.398 -19.132 -21.993 183 HA CYS 52 HA CYS 52 -12.584 -21.707 -21.361 184 HB2 CYS 52 HB2 CYS 52 -13.398 -19.488 -19.938 185 HB3 CYS 52 HB3 CYS 52 -14.647 -20.672 -19.561 186 H ALA 53 H ALA 53 -15.650 -20.566 -22.511 187 HA ALA 53 HA ALA 53 -17.274 -22.716 -21.685 188 HB1 ALA 53 HB1 ALA 53 -17.680 -21.103 -24.191 189 HB2 ALA 53 HB2 ALA 53 -18.901 -21.894 -23.194 190 HB3 ALA 53 HB3 ALA 53 -18.040 -20.483 -22.579 191 H SER 54 H SER 54 -14.956 -22.390 -24.234 192 HA SER 54 HA SER 54 -15.845 -24.345 -26.019 193 HB2 SER 54 HB2 SER 54 -12.970 -23.668 -25.354 194 HB3 SER 54 HB3 SER 54 -13.554 -24.426 -26.835 195 HG SER 54 HG SER 54 -13.414 -22.330 -27.365 196 H CYS 55 H CYS 55 -14.357 -24.624 -22.905 197 HA CYS 55 HA CYS 55 -13.210 -27.133 -22.984 198 HB2 CYS 55 HB2 CYS 55 -14.643 -25.640 -20.803 199 HB3 CYS 55 HB3 CYS 55 -14.001 -27.255 -20.520 200 H ARG 56 H ARG 56 -16.584 -26.256 -22.944 201 HA ARG 56 HA ARG 56 -17.788 -28.589 -22.096 202 HB2 ARG 56 HB2 ARG 56 -18.610 -26.565 -24.168 203 HB3 ARG 56 HB3 ARG 56 -19.636 -27.932 -23.754 204 HG2 ARG 56 HG2 ARG 56 -18.717 -26.518 -21.400 205 HG3 ARG 56 HG3 ARG 56 -19.590 -25.465 -22.514 206 HD2 ARG 56 HD2 ARG 56 -21.333 -27.361 -22.592 207 HD3 ARG 56 HD3 ARG 56 -20.536 -27.953 -21.135 208 HE ARG 56 HE ARG 56 -21.492 -26.238 -19.955 209 HH11 ARG 56 HH11 ARG 56 -21.758 -25.575 -23.362 210 HH12 ARG 56 HH12 ARG 56 -22.796 -24.204 -23.146 211 HH21 ARG 56 HH21 ARG 56 -22.858 -24.436 -19.658 212 HH22 ARG 56 HH22 ARG 56 -23.420 -23.557 -21.039 213 H ALA 57 H ALA 57 -16.183 -27.911 -25.115 214 HA ALA 57 HA ALA 57 -16.919 -30.587 -26.103 215 HB1 ALA 57 HB1 ALA 57 -15.955 -28.181 -27.645 216 HB2 ALA 57 HB2 ALA 57 -16.323 -29.761 -28.339 217 HB3 ALA 57 HB3 ALA 57 -17.605 -28.803 -27.597 218 H ARG 58 H ARG 58 -14.259 -28.413 -25.403 219 HA ARG 58 HA ARG 58 -12.387 -30.640 -25.879 220 HB2 ARG 58 HB2 ARG 58 -12.228 -27.762 -26.583 221 HB3 ARG 58 HB3 ARG 58 -10.748 -28.515 -26.004 222 HG2 ARG 58 HG2 ARG 58 -10.694 -30.038 -27.786 223 HG3 ARG 58 HG3 ARG 58 -12.373 -29.712 -28.222 224 HD2 ARG 58 HD2 ARG 58 -11.335 -27.243 -28.477 225 HD3 ARG 58 HD3 ARG 58 -9.912 -28.211 -28.862 226 HE ARG 58 HE ARG 58 -11.971 -29.275 -30.350 227 HH11 ARG 58 HH11 ARG 58 -10.392 -26.186 -30.057 228 HH12 ARG 58 HH12 ARG 58 -10.678 -25.737 -31.706 229 HH21 ARG 58 HH21 ARG 58 -12.353 -28.695 -32.523 230 HH22 ARG 58 HH22 ARG 58 -11.794 -27.164 -33.107 231 HA PRO 59 HA PRO 59 -12.338 -29.456 -21.373 232 HB2 PRO 59 HB2 PRO 59 -12.528 -32.002 -20.449 233 HB3 PRO 59 HB3 PRO 59 -13.941 -31.015 -20.843 234 HG2 PRO 59 HG2 PRO 59 -12.601 -33.139 -22.472 235 HG3 PRO 59 HG3 PRO 59 -14.331 -32.848 -22.219 236 HD2 PRO 59 HD2 PRO 59 -13.035 -32.059 -24.461 237 HD3 PRO 59 HD3 PRO 59 -14.405 -31.157 -23.782 238 H HIS 60 H HIS 60 -10.548 -31.523 -23.469 239 HA HIS 60 HA HIS 60 -8.325 -31.619 -21.540 240 HB2 HIS 60 HB2 HIS 60 -7.450 -33.452 -23.082 241 HB3 HIS 60 HB3 HIS 60 -8.878 -33.844 -22.128 242 HD1 HIS 60 HD1 HIS 60 -8.658 -32.043 -25.470 243 HD2 HIS 60 HD2 HIS 60 -10.309 -35.455 -23.770 244 HE1 HIS 60 HE1 HIS 60 -10.051 -33.091 -27.283 245 H SER 61 H SER 61 -8.554 -29.230 -22.678 246 HA SER 61 HA SER 61 -6.553 -29.223 -24.843 247 HB2 SER 61 HB2 SER 61 -9.035 -27.651 -24.433 248 HB3 SER 61 HB3 SER 61 -7.648 -26.771 -25.073 249 HG SER 61 HG SER 61 -7.564 -28.743 -26.559 250 H ASP 62 H ASP 62 -5.002 -27.503 -24.836 251 HA ASP 62 HA ASP 62 -3.795 -27.054 -22.357 252 HB2 ASP 62 HB2 ASP 62 -3.462 -25.733 -25.044 253 HB3 ASP 62 HB3 ASP 62 -2.505 -25.246 -23.648 254 H PHE 63 H PHE 63 -5.603 -24.760 -24.401 255 HA PHE 63 HA PHE 63 -5.525 -22.619 -22.586 256 HB2 PHE 63 HB2 PHE 63 -7.428 -21.709 -23.912 257 HB3 PHE 63 HB3 PHE 63 -6.078 -22.240 -24.909 258 HD1 PHE 63 HD1 PHE 63 -9.456 -23.156 -23.728 259 HD2 PHE 63 HD2 PHE 63 -6.348 -23.918 -26.535 260 HE1 PHE 63 HE1 PHE 63 -10.982 -24.585 -25.025 261 HE2 PHE 63 HE2 PHE 63 -7.870 -25.347 -27.837 262 HZ PHE 63 HZ PHE 63 -10.189 -25.684 -27.082 263 H CYS 64 H CYS 64 -7.542 -25.435 -22.767 264 HA CYS 64 HA CYS 64 -9.718 -24.528 -21.221 265 HB2 CYS 64 HB2 CYS 64 -9.672 -26.614 -22.620 266 HB3 CYS 64 HB3 CYS 64 -8.668 -27.358 -21.380 267 H LEU 65 H LEU 65 -6.902 -26.500 -20.271 268 HA LEU 65 HA LEU 65 -7.503 -26.373 -17.493 269 HB2 LEU 65 HB2 LEU 65 -4.944 -27.070 -18.925 270 HB3 LEU 65 HB3 LEU 65 -5.225 -27.295 -17.200 271 HG LEU 65 HG LEU 65 -7.114 -28.604 -19.081 272 HD11 LEU 65 HD11 LEU 65 -4.400 -29.772 -18.508 273 HD12 LEU 65 HD12 LEU 65 -4.822 -28.977 -20.023 274 HD13 LEU 65 HD13 LEU 65 -5.672 -30.441 -19.530 275 HD21 LEU 65 HD21 LEU 65 -7.594 -28.936 -16.812 276 HD22 LEU 65 HD22 LEU 65 -5.899 -29.193 -16.400 277 HD23 LEU 65 HD23 LEU 65 -6.778 -30.418 -17.315 278 H GLY 66 H GLY 66 -5.633 -24.400 -19.683 279 HA2 GLY 66 HA2 GLY 66 -4.212 -22.970 -17.646 280 HA3 GLY 66 HA3 GLY 66 -4.338 -22.520 -19.340 281 H CYS 67 H CYS 67 -7.297 -22.587 -19.233 282 HA CYS 67 HA CYS 67 -7.815 -19.905 -18.808 283 HB2 CYS 67 HB2 CYS 67 -9.345 -21.247 -20.089 284 HB3 CYS 67 HB3 CYS 67 -9.685 -22.276 -18.701 285 H ALA 68 H ALA 68 -9.272 -22.398 -16.734 286 HA ALA 68 HA ALA 68 -9.803 -20.679 -14.596 287 HB1 ALA 68 HB1 ALA 68 -11.033 -22.633 -14.548 288 HB2 ALA 68 HB2 ALA 68 -9.627 -23.650 -14.865 289 HB3 ALA 68 HB3 ALA 68 -9.844 -22.917 -13.276 290 H ALA 69 H ALA 69 -8.713 -20.117 -12.767 291 HA ALA 69 HA ALA 69 -6.022 -21.222 -12.363 292 HB1 ALA 69 HB1 ALA 69 -4.979 -19.154 -12.243 293 HB2 ALA 69 HB2 ALA 69 -6.085 -18.958 -13.603 294 HB3 ALA 69 HB3 ALA 69 -6.499 -18.286 -12.025 295 H ALA 70 H ALA 70 -7.537 -22.358 -10.770 296 HA ALA 70 HA ALA 70 -8.426 -20.853 -8.495 297 HB1 ALA 70 HB1 ALA 70 -9.742 -22.661 -8.495 298 HB2 ALA 70 HB2 ALA 70 -8.585 -23.618 -9.421 299 HB3 ALA 70 HB3 ALA 70 -8.403 -23.463 -7.673 Start of MODEL 8 1 H1 GLY 21 H1 GLY 21 8.172 -2.995 -19.159 2 HA2 GLY 21 HA2 GLY 21 8.966 -5.838 -19.112 3 HA3 GLY 21 HA3 GLY 21 8.834 -4.866 -20.570 4 H SER 22 H SER 22 10.194 -2.591 -19.885 5 HA SER 22 HA SER 22 12.854 -3.485 -19.035 6 HB2 SER 22 HB2 SER 22 12.787 -3.609 -21.504 7 HB3 SER 22 HB3 SER 22 12.328 -1.907 -21.566 8 HG SER 22 HG SER 22 14.312 -1.348 -20.765 9 H SER 23 H SER 23 13.998 -2.003 -17.896 10 HA SER 23 HA SER 23 12.596 0.329 -16.975 11 HB2 SER 23 HB2 SER 23 15.454 -0.460 -16.380 12 HB3 SER 23 HB3 SER 23 14.421 0.611 -15.433 13 HG SER 23 HG SER 23 14.705 -1.781 -14.854 14 H GLY 24 H GLY 24 13.808 2.460 -16.817 15 HA2 GLY 24 HA2 GLY 24 15.129 4.138 -17.767 16 HA3 GLY 24 HA3 GLY 24 15.629 3.006 -19.015 17 H SER 25 H SER 25 14.579 2.974 -20.944 18 HA SER 25 HA SER 25 12.758 5.176 -21.446 19 HB2 SER 25 HB2 SER 25 13.685 3.162 -23.488 20 HB3 SER 25 HB3 SER 25 13.184 4.833 -23.744 21 HG SER 25 HG SER 25 15.622 3.956 -23.408 22 H SER 26 H SER 26 10.729 4.927 -22.520 23 HA SER 26 HA SER 26 8.649 4.042 -22.777 24 HB2 SER 26 HB2 SER 26 10.151 2.369 -24.122 25 HB3 SER 26 HB3 SER 26 9.793 1.268 -22.793 26 HG SER 26 HG SER 26 8.287 1.771 -24.869 27 H GLY 27 H GLY 27 7.272 1.967 -21.865 28 HA2 GLY 27 HA2 GLY 27 7.847 0.942 -19.338 29 HA3 GLY 27 HA3 GLY 27 7.034 2.481 -19.092 30 H GLU 28 H GLU 28 6.672 -0.480 -21.048 31 HA GLU 28 HA GLU 28 3.763 -0.259 -20.673 32 HB2 GLU 28 HB2 GLU 28 5.476 -1.223 -22.878 33 HB3 GLU 28 HB3 GLU 28 4.043 -2.189 -22.559 34 HG2 GLU 28 HG2 GLU 28 3.728 0.754 -22.763 35 HG3 GLU 28 HG3 GLU 28 4.012 -0.163 -24.241 36 H GLN 29 H GLN 29 2.834 -1.599 -19.286 37 HA GLN 29 HA GLN 29 4.210 -4.121 -18.633 38 HB2 GLN 29 HB2 GLN 29 2.571 -2.268 -16.915 39 HB3 GLN 29 HB3 GLN 29 2.892 -3.932 -16.446 40 HG2 GLN 29 HG2 GLN 29 5.349 -3.387 -16.711 41 HG3 GLN 29 HG3 GLN 29 4.859 -1.697 -16.818 42 HE21 GLN 29 HE21 GLN 29 6.190 -1.438 -14.914 43 HE22 GLN 29 HE22 GLN 29 5.527 -1.795 -13.359 44 H ALA 30 H ALA 30 2.463 -3.931 -20.821 45 HA ALA 30 HA ALA 30 -0.170 -4.785 -20.117 46 HB1 ALA 30 HB1 ALA 30 0.313 -5.599 -22.741 47 HB2 ALA 30 HB2 ALA 30 -0.470 -4.109 -22.212 48 HB3 ALA 30 HB3 ALA 30 1.265 -4.129 -22.528 49 HA PRO 31 HA PRO 31 0.309 -9.118 -19.622 50 HB2 PRO 31 HB2 PRO 31 -1.884 -10.097 -20.887 51 HB3 PRO 31 HB3 PRO 31 -1.968 -9.242 -19.342 52 HG2 PRO 31 HG2 PRO 31 -2.495 -8.217 -22.105 53 HG3 PRO 31 HG3 PRO 31 -3.406 -7.927 -20.611 54 HD2 PRO 31 HD2 PRO 31 -1.653 -6.127 -21.622 55 HD3 PRO 31 HD3 PRO 31 -1.933 -6.312 -19.879 56 H GLY 32 H GLY 32 2.119 -9.748 -20.759 57 HA2 GLY 32 HA2 GLY 32 1.841 -10.247 -23.638 58 HA3 GLY 32 HA3 GLY 32 3.354 -10.186 -22.745 59 H THR 33 H THR 33 0.763 -11.967 -21.347 60 HA THR 33 HA THR 33 2.033 -14.483 -22.213 61 HB THR 33 HB THR 33 2.561 -14.182 -19.895 62 HG1 THR 33 HG1 THR 33 1.624 -16.058 -19.093 63 HG21 THR 33 HG21 THR 33 0.798 -12.517 -19.395 64 HG22 THR 33 HG22 THR 33 0.895 -13.790 -18.180 65 HG23 THR 33 HG23 THR 33 -0.393 -13.817 -19.384 66 H ALA 34 H ALA 34 -0.967 -12.883 -21.268 67 HA ALA 34 HA ALA 34 -2.462 -14.626 -23.028 68 HB1 ALA 34 HB1 ALA 34 -2.912 -14.630 -20.053 69 HB2 ALA 34 HB2 ALA 34 -4.125 -15.176 -21.213 70 HB3 ALA 34 HB3 ALA 34 -2.571 -16.004 -21.106 71 HA PRO 35 HA PRO 35 -3.903 -10.197 -22.681 72 HB2 PRO 35 HB2 PRO 35 -3.745 -9.670 -25.340 73 HB3 PRO 35 HB3 PRO 35 -2.381 -9.457 -24.236 74 HG2 PRO 35 HG2 PRO 35 -2.979 -11.728 -26.093 75 HG3 PRO 35 HG3 PRO 35 -1.433 -10.920 -25.775 76 HD2 PRO 35 HD2 PRO 35 -2.091 -13.296 -24.658 77 HD3 PRO 35 HD3 PRO 35 -1.071 -12.102 -23.830 78 H CYS 36 H CYS 36 -5.867 -11.499 -22.130 79 HA CYS 36 HA CYS 36 -7.774 -11.361 -24.352 80 HB2 CYS 36 HB2 CYS 36 -7.716 -13.669 -22.403 81 HB3 CYS 36 HB3 CYS 36 -8.753 -13.489 -23.815 82 H SER 37 H SER 37 -10.087 -11.840 -23.338 83 HA SER 37 HA SER 37 -10.353 -9.918 -21.150 84 HB2 SER 37 HB2 SER 37 -12.369 -11.069 -23.089 85 HB3 SER 37 HB3 SER 37 -12.793 -9.976 -21.771 86 HG SER 37 HG SER 37 -12.358 -9.029 -23.933 87 H ARG 38 H ARG 38 -12.248 -10.391 -19.619 88 HA ARG 38 HA ARG 38 -11.630 -12.599 -18.048 89 HB2 ARG 38 HB2 ARG 38 -13.780 -12.139 -16.885 90 HB3 ARG 38 HB3 ARG 38 -12.789 -10.705 -17.111 91 HG2 ARG 38 HG2 ARG 38 -14.454 -10.859 -19.362 92 HG3 ARG 38 HG3 ARG 38 -15.472 -11.209 -17.964 93 HD2 ARG 38 HD2 ARG 38 -13.633 -8.832 -18.206 94 HD3 ARG 38 HD3 ARG 38 -15.366 -8.798 -18.531 95 HE ARG 38 HE ARG 38 -14.080 -8.847 -15.955 96 HH11 ARG 38 HH11 ARG 38 -17.003 -9.509 -17.726 97 HH12 ARG 38 HH12 ARG 38 -18.030 -9.375 -16.338 98 HH21 ARG 38 HH21 ARG 38 -15.422 -8.668 -14.119 99 HH22 ARG 38 HH22 ARG 38 -17.129 -8.896 -14.286 100 H GLY 39 H GLY 39 -11.974 -14.695 -18.342 101 HA2 GLY 39 HA2 GLY 39 -13.326 -16.596 -18.683 102 HA3 GLY 39 HA3 GLY 39 -14.479 -15.592 -19.550 103 H SER 40 H SER 40 -10.998 -15.800 -20.110 104 HA SER 40 HA SER 40 -11.410 -17.366 -22.527 105 HB2 SER 40 HB2 SER 40 -9.903 -14.787 -22.822 106 HB3 SER 40 HB3 SER 40 -10.670 -15.777 -24.064 107 HG SER 40 HG SER 40 -12.387 -14.611 -23.823 108 H SER 41 H SER 41 -9.466 -18.229 -23.404 109 HA SER 41 HA SER 41 -7.069 -17.910 -21.738 110 HB2 SER 41 HB2 SER 41 -8.077 -19.915 -20.888 111 HB3 SER 41 HB3 SER 41 -8.377 -20.523 -22.516 112 HG SER 41 HG SER 41 -6.273 -20.970 -21.029 113 H TRP 42 H TRP 42 -5.251 -17.682 -22.877 114 HA TRP 42 HA TRP 42 -5.403 -17.863 -25.774 115 HB2 TRP 42 HB2 TRP 42 -4.389 -15.863 -24.981 116 HB3 TRP 42 HB3 TRP 42 -3.343 -16.747 -23.874 117 HD1 TRP 42 HD1 TRP 42 -1.203 -17.996 -24.943 118 HE1 TRP 42 HE1 TRP 42 0.088 -17.575 -27.130 119 HE3 TRP 42 HE3 TRP 42 -4.662 -15.134 -27.387 120 HZ2 TRP 42 HZ2 TRP 42 -0.309 -16.209 -29.568 121 HZ3 TRP 42 HZ3 TRP 42 -4.128 -14.309 -29.643 122 HH2 TRP 42 HH2 TRP 42 -1.996 -14.837 -30.709 123 H SER 43 H SER 43 -4.726 -19.566 -26.884 124 HA SER 43 HA SER 43 -3.016 -21.536 -25.538 125 HB2 SER 43 HB2 SER 43 -5.367 -21.937 -26.831 126 HB3 SER 43 HB3 SER 43 -4.229 -22.220 -28.149 127 HG SER 43 HG SER 43 -3.235 -23.804 -26.902 128 H ALA 44 H ALA 44 -0.999 -21.925 -26.205 129 HA ALA 44 HA ALA 44 0.172 -20.257 -28.221 130 HB1 ALA 44 HB1 ALA 44 1.191 -22.318 -26.321 131 HB2 ALA 44 HB2 ALA 44 2.203 -21.810 -27.674 132 HB3 ALA 44 HB3 ALA 44 1.646 -20.623 -26.495 133 H ASP 45 H ASP 45 -1.382 -23.265 -28.250 134 HA ASP 45 HA ASP 45 0.058 -24.579 -30.300 135 HB2 ASP 45 HB2 ASP 45 -2.475 -24.955 -28.875 136 HB3 ASP 45 HB3 ASP 45 -2.520 -25.513 -30.546 137 H LEU 46 H LEU 46 -3.075 -22.875 -30.452 138 HA LEU 46 HA LEU 46 -2.717 -22.578 -33.343 139 HB2 LEU 46 HB2 LEU 46 -5.069 -22.389 -31.502 140 HB3 LEU 46 HB3 LEU 46 -5.131 -21.667 -33.109 141 HG LEU 46 HG LEU 46 -4.490 -24.574 -32.672 142 HD11 LEU 46 HD11 LEU 46 -6.743 -25.153 -32.873 143 HD12 LEU 46 HD12 LEU 46 -7.210 -23.533 -33.391 144 HD13 LEU 46 HD13 LEU 46 -6.741 -23.822 -31.715 145 HD21 LEU 46 HD21 LEU 46 -5.030 -22.801 -34.990 146 HD22 LEU 46 HD22 LEU 46 -5.644 -24.453 -35.059 147 HD23 LEU 46 HD23 LEU 46 -3.919 -24.163 -34.836 148 H ASP 47 H ASP 47 -2.412 -20.829 -30.453 149 HA ASP 47 HA ASP 47 -1.857 -18.669 -30.003 150 HB2 ASP 47 HB2 ASP 47 -1.594 -18.240 -32.979 151 HB3 ASP 47 HB3 ASP 47 -0.783 -17.364 -31.683 152 H LYS 48 H LYS 48 -4.080 -18.421 -29.324 153 HA LYS 48 HA LYS 48 -5.307 -16.132 -30.410 154 HB2 LYS 48 HB2 LYS 48 -7.261 -16.978 -31.438 155 HB3 LYS 48 HB3 LYS 48 -5.930 -17.891 -32.135 156 HG2 LYS 48 HG2 LYS 48 -7.558 -18.907 -29.824 157 HG3 LYS 48 HG3 LYS 48 -7.990 -19.205 -31.510 158 HD2 LYS 48 HD2 LYS 48 -6.618 -20.955 -31.496 159 HD3 LYS 48 HD3 LYS 48 -5.265 -19.844 -31.278 160 HE2 LYS 48 HE2 LYS 48 -4.907 -20.714 -29.268 161 HE3 LYS 48 HE3 LYS 48 -6.496 -20.146 -28.759 162 HZ1 LYS 48 HZ1 LYS 48 -7.269 -22.306 -29.969 163 HZ2 LYS 48 HZ2 LYS 48 -6.685 -22.376 -28.383 164 HZ3 LYS 48 HZ3 LYS 48 -5.682 -22.811 -29.674 165 H CYS 49 H CYS 49 -7.285 -15.537 -29.266 166 HA CYS 49 HA CYS 49 -7.204 -16.498 -26.529 167 HB2 CYS 49 HB2 CYS 49 -8.531 -14.183 -27.911 168 HB3 CYS 49 HB3 CYS 49 -8.999 -14.641 -26.277 169 H MET 50 H MET 50 -8.195 -18.454 -26.385 170 HA MET 50 HA MET 50 -10.733 -18.938 -27.683 171 HB2 MET 50 HB2 MET 50 -8.978 -20.603 -25.884 172 HB3 MET 50 HB3 MET 50 -10.556 -21.152 -26.434 173 HG2 MET 50 HG2 MET 50 -8.455 -20.266 -28.374 174 HG3 MET 50 HG3 MET 50 -8.481 -21.905 -27.727 175 HE1 MET 50 HE1 MET 50 -9.125 -23.561 -29.018 176 HE2 MET 50 HE2 MET 50 -10.756 -23.691 -28.358 177 HE3 MET 50 HE3 MET 50 -10.509 -23.696 -30.104 178 H ASP 51 H ASP 51 -12.525 -19.939 -26.338 179 HA ASP 51 HA ASP 51 -12.933 -18.267 -23.955 180 HB2 ASP 51 HB2 ASP 51 -14.514 -18.310 -26.075 181 HB3 ASP 51 HB3 ASP 51 -15.175 -19.735 -25.277 182 H CYS 52 H CYS 52 -13.387 -19.146 -22.003 183 HA CYS 52 HA CYS 52 -12.577 -21.725 -21.383 184 HB2 CYS 52 HB2 CYS 52 -13.394 -19.511 -19.950 185 HB3 CYS 52 HB3 CYS 52 -14.637 -20.700 -19.575 186 H ALA 53 H ALA 53 -15.647 -20.573 -22.519 187 HA ALA 53 HA ALA 53 -17.276 -22.720 -21.703 188 HB1 ALA 53 HB1 ALA 53 -18.763 -21.978 -23.581 189 HB2 ALA 53 HB2 ALA 53 -18.314 -20.710 -22.440 190 HB3 ALA 53 HB3 ALA 53 -17.520 -20.803 -24.012 191 H SER 54 H SER 54 -14.949 -22.405 -24.245 192 HA SER 54 HA SER 54 -15.839 -24.363 -26.027 193 HB2 SER 54 HB2 SER 54 -12.963 -23.694 -25.363 194 HB3 SER 54 HB3 SER 54 -13.552 -24.444 -26.846 195 HG SER 54 HG SER 54 -13.147 -22.036 -26.760 196 H CYS 55 H CYS 55 -14.346 -24.635 -22.914 197 HA CYS 55 HA CYS 55 -13.207 -27.147 -22.988 198 HB2 CYS 55 HB2 CYS 55 -14.629 -25.643 -20.807 199 HB3 CYS 55 HB3 CYS 55 -13.990 -27.258 -20.521 200 H ARG 56 H ARG 56 -16.578 -26.260 -22.940 201 HA ARG 56 HA ARG 56 -17.786 -28.587 -22.080 202 HB2 ARG 56 HB2 ARG 56 -18.642 -26.223 -23.213 203 HB3 ARG 56 HB3 ARG 56 -19.105 -27.419 -24.416 204 HG2 ARG 56 HG2 ARG 56 -19.834 -27.561 -21.499 205 HG3 ARG 56 HG3 ARG 56 -20.880 -26.926 -22.770 206 HD2 ARG 56 HD2 ARG 56 -20.588 -29.173 -23.920 207 HD3 ARG 56 HD3 ARG 56 -19.886 -29.740 -22.405 208 HE ARG 56 HE ARG 56 -22.649 -29.342 -22.963 209 HH11 ARG 56 HH11 ARG 56 -20.261 -29.168 -20.435 210 HH12 ARG 56 HH12 ARG 56 -21.403 -29.438 -19.160 211 HH21 ARG 56 HH21 ARG 56 -24.161 -29.698 -21.293 212 HH22 ARG 56 HH22 ARG 56 -23.620 -29.741 -19.649 213 H ALA 57 H ALA 57 -16.215 -27.912 -25.124 214 HA ALA 57 HA ALA 57 -16.941 -30.600 -26.085 215 HB1 ALA 57 HB1 ALA 57 -16.121 -29.638 -28.326 216 HB2 ALA 57 HB2 ALA 57 -17.685 -29.106 -27.707 217 HB3 ALA 57 HB3 ALA 57 -16.270 -28.067 -27.538 218 H ARG 58 H ARG 58 -14.313 -28.453 -25.298 219 HA ARG 58 HA ARG 58 -12.420 -30.643 -25.845 220 HB2 ARG 58 HB2 ARG 58 -12.284 -27.760 -26.537 221 HB3 ARG 58 HB3 ARG 58 -10.795 -28.510 -25.977 222 HG2 ARG 58 HG2 ARG 58 -10.458 -29.419 -27.964 223 HG3 ARG 58 HG3 ARG 58 -12.037 -30.207 -27.911 224 HD2 ARG 58 HD2 ARG 58 -13.059 -28.548 -29.108 225 HD3 ARG 58 HD3 ARG 58 -11.942 -27.306 -28.544 226 HE ARG 58 HE ARG 58 -10.728 -29.260 -30.268 227 HH11 ARG 58 HH11 ARG 58 -12.497 -26.265 -30.128 228 HH12 ARG 58 HH12 ARG 58 -11.942 -25.714 -31.674 229 HH21 ARG 58 HH21 ARG 58 -9.991 -28.546 -32.304 230 HH22 ARG 58 HH22 ARG 58 -10.517 -27.013 -32.911 231 HA PRO 59 HA PRO 59 -12.352 -29.463 -21.335 232 HB2 PRO 59 HB2 PRO 59 -12.536 -32.009 -20.412 233 HB3 PRO 59 HB3 PRO 59 -13.951 -31.023 -20.797 234 HG2 PRO 59 HG2 PRO 59 -12.619 -33.145 -22.434 235 HG3 PRO 59 HG3 PRO 59 -14.348 -32.856 -22.171 236 HD2 PRO 59 HD2 PRO 59 -13.065 -32.065 -24.420 237 HD3 PRO 59 HD3 PRO 59 -14.432 -31.164 -23.733 238 H HIS 60 H HIS 60 -10.574 -31.530 -23.442 239 HA HIS 60 HA HIS 60 -8.337 -31.616 -21.528 240 HB2 HIS 60 HB2 HIS 60 -7.476 -33.462 -23.068 241 HB3 HIS 60 HB3 HIS 60 -8.888 -33.846 -22.088 242 HD1 HIS 60 HD1 HIS 60 -8.763 -32.052 -25.435 243 HD2 HIS 60 HD2 HIS 60 -10.302 -35.502 -23.707 244 HE1 HIS 60 HE1 HIS 60 -10.172 -33.127 -27.220 245 H SER 61 H SER 61 -8.522 -29.238 -22.638 246 HA SER 61 HA SER 61 -6.556 -29.251 -24.835 247 HB2 SER 61 HB2 SER 61 -9.022 -27.647 -24.407 248 HB3 SER 61 HB3 SER 61 -7.636 -26.806 -25.100 249 HG SER 61 HG SER 61 -7.612 -28.280 -26.780 250 H ASP 62 H ASP 62 -5.010 -27.521 -24.853 251 HA ASP 62 HA ASP 62 -3.777 -27.064 -22.389 252 HB2 ASP 62 HB2 ASP 62 -3.478 -25.715 -25.070 253 HB3 ASP 62 HB3 ASP 62 -2.484 -25.280 -23.682 254 H PHE 63 H PHE 63 -5.597 -24.769 -24.422 255 HA PHE 63 HA PHE 63 -5.511 -22.631 -22.603 256 HB2 PHE 63 HB2 PHE 63 -7.421 -21.719 -23.922 257 HB3 PHE 63 HB3 PHE 63 -6.070 -22.244 -24.922 258 HD1 PHE 63 HD1 PHE 63 -9.440 -23.180 -23.732 259 HD2 PHE 63 HD2 PHE 63 -6.344 -23.906 -26.561 260 HE1 PHE 63 HE1 PHE 63 -10.966 -24.608 -25.031 261 HE2 PHE 63 HE2 PHE 63 -7.865 -25.334 -27.865 262 HZ PHE 63 HZ PHE 63 -10.180 -25.686 -27.101 263 H CYS 64 H CYS 64 -7.532 -25.444 -22.783 264 HA CYS 64 HA CYS 64 -9.702 -24.539 -21.229 265 HB2 CYS 64 HB2 CYS 64 -9.658 -26.624 -22.633 266 HB3 CYS 64 HB3 CYS 64 -8.656 -27.370 -21.392 267 H LEU 65 H LEU 65 -6.866 -26.488 -20.296 268 HA LEU 65 HA LEU 65 -7.463 -26.377 -17.514 269 HB2 LEU 65 HB2 LEU 65 -4.927 -27.078 -18.983 270 HB3 LEU 65 HB3 LEU 65 -5.153 -27.265 -17.245 271 HG LEU 65 HG LEU 65 -6.845 -28.680 -19.298 272 HD11 LEU 65 HD11 LEU 65 -5.385 -30.664 -18.430 273 HD12 LEU 65 HD12 LEU 65 -4.208 -29.392 -18.103 274 HD13 LEU 65 HD13 LEU 65 -4.806 -29.639 -19.744 275 HD21 LEU 65 HD21 LEU 65 -7.733 -29.887 -17.544 276 HD22 LEU 65 HD22 LEU 65 -7.556 -28.286 -16.825 277 HD23 LEU 65 HD23 LEU 65 -6.370 -29.544 -16.477 278 H GLY 66 H GLY 66 -5.598 -24.397 -19.705 279 HA2 GLY 66 HA2 GLY 66 -4.182 -22.962 -17.669 280 HA3 GLY 66 HA3 GLY 66 -4.314 -22.510 -19.362 281 H CYS 67 H CYS 67 -7.273 -22.589 -19.248 282 HA CYS 67 HA CYS 67 -7.801 -19.910 -18.818 283 HB2 CYS 67 HB2 CYS 67 -9.330 -21.257 -20.094 284 HB3 CYS 67 HB3 CYS 67 -9.660 -22.289 -18.707 285 H ALA 68 H ALA 68 -9.241 -22.411 -16.741 286 HA ALA 68 HA ALA 68 -9.771 -20.697 -14.600 287 HB1 ALA 68 HB1 ALA 68 -9.781 -22.947 -13.284 288 HB2 ALA 68 HB2 ALA 68 -10.995 -22.647 -14.529 289 HB3 ALA 68 HB3 ALA 68 -9.598 -23.663 -14.886 290 H ALA 69 H ALA 69 -8.696 -20.180 -12.736 291 HA ALA 69 HA ALA 69 -6.325 -21.420 -11.836 292 HB1 ALA 69 HB1 ALA 69 -6.018 -19.057 -13.633 293 HB2 ALA 69 HB2 ALA 69 -4.887 -19.293 -12.300 294 HB3 ALA 69 HB3 ALA 69 -5.058 -20.534 -13.542 295 H ALA 70 H ALA 70 -6.431 -21.115 -9.719 296 HA ALA 70 HA ALA 70 -6.907 -20.219 -7.679 297 HB1 ALA 70 HB1 ALA 70 -5.390 -18.325 -9.137 298 HB2 ALA 70 HB2 ALA 70 -6.592 -17.440 -8.196 299 HB3 ALA 70 HB3 ALA 70 -5.481 -18.547 -7.389 Start of MODEL 9 1 H1 GLY 21 H1 GLY 21 16.183 -8.393 -21.337 2 HA2 GLY 21 HA2 GLY 21 15.370 -10.649 -19.861 3 HA3 GLY 21 HA3 GLY 21 14.274 -9.321 -19.508 4 H SER 22 H SER 22 13.001 -11.303 -20.545 5 HA SER 22 HA SER 22 12.928 -10.983 -23.460 6 HB2 SER 22 HB2 SER 22 11.805 -13.096 -21.616 7 HB3 SER 22 HB3 SER 22 11.393 -13.009 -23.329 8 HG SER 22 HG SER 22 13.164 -14.420 -22.897 9 H SER 23 H SER 23 11.357 -9.875 -24.421 10 HA SER 23 HA SER 23 8.744 -9.615 -23.179 11 HB2 SER 23 HB2 SER 23 8.789 -7.111 -23.465 12 HB3 SER 23 HB3 SER 23 9.838 -7.720 -22.186 13 HG SER 23 HG SER 23 11.512 -7.687 -23.935 14 H GLY 24 H GLY 24 10.661 -8.088 -25.780 15 HA2 GLY 24 HA2 GLY 24 10.189 -7.765 -28.004 16 HA3 GLY 24 HA3 GLY 24 9.474 -9.369 -27.929 17 H SER 25 H SER 25 8.811 -5.932 -27.445 18 HA SER 25 HA SER 25 6.921 -4.694 -27.708 19 HB2 SER 25 HB2 SER 25 5.656 -6.985 -29.191 20 HB3 SER 25 HB3 SER 25 5.460 -5.253 -29.457 21 HG SER 25 HG SER 25 7.094 -6.856 -30.710 22 H SER 26 H SER 26 6.699 -5.098 -25.360 23 HA SER 26 HA SER 26 4.245 -6.628 -24.789 24 HB2 SER 26 HB2 SER 26 6.454 -7.523 -23.814 25 HB3 SER 26 HB3 SER 26 6.400 -6.123 -22.744 26 HG SER 26 HG SER 26 5.363 -8.243 -22.083 27 H GLY 27 H GLY 27 4.571 -3.807 -25.555 28 HA2 GLY 27 HA2 GLY 27 3.801 -1.734 -24.932 29 HA3 GLY 27 HA3 GLY 27 2.707 -2.621 -23.881 30 H GLU 28 H GLU 28 2.816 -1.022 -22.279 31 HA GLU 28 HA GLU 28 5.427 -0.650 -20.990 32 HB2 GLU 28 HB2 GLU 28 3.042 1.016 -21.326 33 HB3 GLU 28 HB3 GLU 28 3.668 1.018 -19.683 34 HG2 GLU 28 HG2 GLU 28 5.956 1.433 -20.894 35 HG3 GLU 28 HG3 GLU 28 4.914 2.018 -22.189 36 H GLN 29 H GLN 29 2.167 -1.815 -20.442 37 HA GLN 29 HA GLN 29 3.053 -3.350 -18.174 38 HB2 GLN 29 HB2 GLN 29 1.343 -2.424 -16.625 39 HB3 GLN 29 HB3 GLN 29 2.614 -1.277 -17.026 40 HG2 GLN 29 HG2 GLN 29 1.214 0.097 -18.160 41 HG3 GLN 29 HG3 GLN 29 0.172 -1.221 -18.693 42 HE21 GLN 29 HE21 GLN 29 0.837 1.082 -16.204 43 HE22 GLN 29 HE22 GLN 29 -0.604 0.823 -15.287 44 H ALA 30 H ALA 30 1.925 -3.853 -20.793 45 HA ALA 30 HA ALA 30 -0.775 -4.813 -20.231 46 HB1 ALA 30 HB1 ALA 30 0.330 -5.458 -22.851 47 HB2 ALA 30 HB2 ALA 30 -1.163 -4.621 -22.423 48 HB3 ALA 30 HB3 ALA 30 0.359 -3.733 -22.484 49 HA PRO 31 HA PRO 31 0.277 -9.029 -19.623 50 HB2 PRO 31 HB2 PRO 31 -1.701 -10.324 -20.959 51 HB3 PRO 31 HB3 PRO 31 -1.971 -9.465 -19.438 52 HG2 PRO 31 HG2 PRO 31 -2.510 -8.567 -22.242 53 HG3 PRO 31 HG3 PRO 31 -3.519 -8.383 -20.795 54 HD2 PRO 31 HD2 PRO 31 -1.989 -6.373 -21.769 55 HD3 PRO 31 HD3 PRO 31 -2.319 -6.567 -20.036 56 H GLY 32 H GLY 32 2.093 -9.769 -20.565 57 HA2 GLY 32 HA2 GLY 32 2.141 -10.105 -23.485 58 HA3 GLY 32 HA3 GLY 32 3.550 -10.061 -22.436 59 H THR 33 H THR 33 0.776 -11.953 -21.555 60 HA THR 33 HA THR 33 2.136 -14.405 -22.442 61 HB THR 33 HB THR 33 1.415 -15.488 -20.286 62 HG1 THR 33 HG1 THR 33 0.626 -14.261 -18.684 63 HG21 THR 33 HG21 THR 33 3.740 -14.796 -20.689 64 HG22 THR 33 HG22 THR 33 3.295 -14.628 -18.991 65 HG23 THR 33 HG23 THR 33 3.375 -13.203 -20.028 66 H ALA 34 H ALA 34 -0.864 -12.966 -21.217 67 HA ALA 34 HA ALA 34 -2.373 -14.642 -23.069 68 HB1 ALA 34 HB1 ALA 34 -2.735 -14.645 -20.092 69 HB2 ALA 34 HB2 ALA 34 -4.056 -15.060 -21.184 70 HB3 ALA 34 HB3 ALA 34 -2.574 -16.016 -21.190 71 HA PRO 35 HA PRO 35 -3.751 -10.188 -22.793 72 HB2 PRO 35 HB2 PRO 35 -3.587 -9.706 -25.459 73 HB3 PRO 35 HB3 PRO 35 -2.220 -9.495 -24.359 74 HG2 PRO 35 HG2 PRO 35 -2.850 -11.786 -26.180 75 HG3 PRO 35 HG3 PRO 35 -1.293 -10.995 -25.875 76 HD2 PRO 35 HD2 PRO 35 -1.984 -13.344 -24.720 77 HD3 PRO 35 HD3 PRO 35 -0.947 -12.151 -23.912 78 H CYS 36 H CYS 36 -5.733 -11.454 -22.220 79 HA CYS 36 HA CYS 36 -7.618 -11.392 -24.473 80 HB2 CYS 36 HB2 CYS 36 -7.562 -13.540 -22.343 81 HB3 CYS 36 HB3 CYS 36 -8.704 -13.424 -23.678 82 H SER 37 H SER 37 -9.934 -11.982 -23.220 83 HA SER 37 HA SER 37 -10.178 -9.792 -21.271 84 HB2 SER 37 HB2 SER 37 -12.624 -9.849 -21.925 85 HB3 SER 37 HB3 SER 37 -11.517 -9.350 -23.204 86 HG SER 37 HG SER 37 -13.248 -11.071 -23.589 87 H ARG 38 H ARG 38 -12.463 -10.249 -20.022 88 HA ARG 38 HA ARG 38 -11.838 -12.266 -18.154 89 HB2 ARG 38 HB2 ARG 38 -14.018 -10.322 -18.565 90 HB3 ARG 38 HB3 ARG 38 -14.469 -11.767 -17.670 91 HG2 ARG 38 HG2 ARG 38 -13.640 -10.824 -15.849 92 HG3 ARG 38 HG3 ARG 38 -12.035 -10.930 -16.574 93 HD2 ARG 38 HD2 ARG 38 -12.149 -8.742 -17.412 94 HD3 ARG 38 HD3 ARG 38 -13.896 -8.657 -17.188 95 HE ARG 38 HE ARG 38 -13.531 -7.952 -15.051 96 HH11 ARG 38 HH11 ARG 38 -10.654 -9.536 -16.205 97 HH12 ARG 38 HH12 ARG 38 -9.718 -9.144 -14.801 98 HH21 ARG 38 HH21 ARG 38 -12.309 -7.429 -13.198 99 HH22 ARG 38 HH22 ARG 38 -10.660 -7.946 -13.091 100 H GLY 39 H GLY 39 -12.043 -14.387 -18.394 101 HA2 GLY 39 HA2 GLY 39 -13.230 -16.382 -18.711 102 HA3 GLY 39 HA3 GLY 39 -14.476 -15.480 -19.561 103 H SER 40 H SER 40 -10.972 -15.924 -20.050 104 HA SER 40 HA SER 40 -11.404 -17.355 -22.512 105 HB2 SER 40 HB2 SER 40 -9.881 -14.786 -22.810 106 HB3 SER 40 HB3 SER 40 -10.648 -15.776 -24.052 107 HG SER 40 HG SER 40 -11.691 -13.756 -22.532 108 H SER 41 H SER 41 -9.455 -18.210 -23.409 109 HA SER 41 HA SER 41 -7.061 -17.921 -21.735 110 HB2 SER 41 HB2 SER 41 -8.138 -19.929 -20.921 111 HB3 SER 41 HB3 SER 41 -8.336 -20.538 -22.564 112 HG SER 41 HG SER 41 -6.071 -20.672 -22.716 113 H TRP 42 H TRP 42 -5.245 -17.687 -22.874 114 HA TRP 42 HA TRP 42 -5.395 -17.859 -25.772 115 HB2 TRP 42 HB2 TRP 42 -4.379 -15.863 -24.971 116 HB3 TRP 42 HB3 TRP 42 -3.334 -16.753 -23.867 117 HD1 TRP 42 HD1 TRP 42 -1.195 -17.999 -24.941 118 HE1 TRP 42 HE1 TRP 42 0.095 -17.571 -27.127 119 HE3 TRP 42 HE3 TRP 42 -4.652 -15.125 -27.375 120 HZ2 TRP 42 HZ2 TRP 42 -0.301 -16.197 -29.561 121 HZ3 TRP 42 HZ3 TRP 42 -4.119 -14.293 -29.629 122 HH2 TRP 42 HH2 TRP 42 -1.987 -14.819 -30.697 123 H SER 43 H SER 43 -4.715 -19.555 -26.890 124 HA SER 43 HA SER 43 -3.009 -21.533 -25.548 125 HB2 SER 43 HB2 SER 43 -5.360 -21.928 -26.843 126 HB3 SER 43 HB3 SER 43 -4.222 -22.208 -28.161 127 HG SER 43 HG SER 43 -4.447 -23.571 -25.699 128 H ALA 44 H ALA 44 -0.993 -21.923 -26.215 129 HA ALA 44 HA ALA 44 0.181 -20.249 -28.226 130 HB1 ALA 44 HB1 ALA 44 1.215 -22.350 -26.368 131 HB2 ALA 44 HB2 ALA 44 2.223 -21.754 -27.687 132 HB3 ALA 44 HB3 ALA 44 1.623 -20.637 -26.461 133 H ASP 45 H ASP 45 -1.377 -23.254 -28.266 134 HA ASP 45 HA ASP 45 0.064 -24.563 -30.319 135 HB2 ASP 45 HB2 ASP 45 -2.470 -24.943 -28.896 136 HB3 ASP 45 HB3 ASP 45 -2.514 -25.495 -30.568 137 H LEU 46 H LEU 46 -3.069 -22.857 -30.466 138 HA LEU 46 HA LEU 46 -2.710 -22.551 -33.356 139 HB2 LEU 46 HB2 LEU 46 -5.062 -22.366 -31.515 140 HB3 LEU 46 HB3 LEU 46 -5.124 -21.640 -33.119 141 HG LEU 46 HG LEU 46 -4.485 -24.548 -32.691 142 HD11 LEU 46 HD11 LEU 46 -6.735 -23.798 -31.731 143 HD12 LEU 46 HD12 LEU 46 -6.738 -25.126 -32.892 144 HD13 LEU 46 HD13 LEU 46 -7.204 -23.505 -33.406 145 HD21 LEU 46 HD21 LEU 46 -5.026 -22.768 -35.003 146 HD22 LEU 46 HD22 LEU 46 -5.641 -24.419 -35.076 147 HD23 LEU 46 HD23 LEU 46 -3.915 -24.131 -34.854 148 H ASP 47 H ASP 47 -2.405 -20.811 -30.460 149 HA ASP 47 HA ASP 47 -1.848 -18.653 -30.004 150 HB2 ASP 47 HB2 ASP 47 -1.585 -18.217 -32.979 151 HB3 ASP 47 HB3 ASP 47 -0.775 -17.343 -31.681 152 H LYS 48 H LYS 48 -4.071 -18.406 -29.324 153 HA LYS 48 HA LYS 48 -5.296 -16.113 -30.403 154 HB2 LYS 48 HB2 LYS 48 -7.252 -16.954 -31.433 155 HB3 LYS 48 HB3 LYS 48 -5.921 -17.866 -32.133 156 HG2 LYS 48 HG2 LYS 48 -7.549 -18.888 -29.825 157 HG3 LYS 48 HG3 LYS 48 -7.982 -19.180 -31.512 158 HD2 LYS 48 HD2 LYS 48 -6.611 -20.932 -31.504 159 HD3 LYS 48 HD3 LYS 48 -5.256 -19.821 -31.283 160 HE2 LYS 48 HE2 LYS 48 -4.899 -20.699 -29.275 161 HE3 LYS 48 HE3 LYS 48 -6.488 -20.131 -28.764 162 HZ1 LYS 48 HZ1 LYS 48 -5.674 -22.794 -29.682 163 HZ2 LYS 48 HZ2 LYS 48 -7.260 -22.287 -29.985 164 HZ3 LYS 48 HZ3 LYS 48 -6.684 -22.360 -28.397 165 H CYS 49 H CYS 49 -7.274 -15.520 -29.256 166 HA CYS 49 HA CYS 49 -7.193 -16.490 -26.523 167 HB2 CYS 49 HB2 CYS 49 -8.511 -14.166 -27.898 168 HB3 CYS 49 HB3 CYS 49 -8.990 -14.631 -26.268 169 H MET 50 H MET 50 -8.186 -18.447 -26.391 170 HA MET 50 HA MET 50 -10.726 -18.922 -27.689 171 HB2 MET 50 HB2 MET 50 -8.972 -20.597 -25.897 172 HB3 MET 50 HB3 MET 50 -10.551 -21.141 -26.450 173 HG2 MET 50 HG2 MET 50 -8.447 -20.250 -28.384 174 HG3 MET 50 HG3 MET 50 -8.478 -21.893 -27.746 175 HE1 MET 50 HE1 MET 50 -10.499 -23.663 -30.139 176 HE2 MET 50 HE2 MET 50 -9.131 -23.540 -29.032 177 HE3 MET 50 HE3 MET 50 -10.771 -23.667 -28.395 178 H ASP 51 H ASP 51 -12.518 -19.927 -26.347 179 HA ASP 51 HA ASP 51 -12.921 -18.266 -23.954 180 HB2 ASP 51 HB2 ASP 51 -14.503 -18.234 -26.043 181 HB3 ASP 51 HB3 ASP 51 -15.143 -19.719 -25.346 182 H CYS 52 H CYS 52 -13.370 -19.158 -22.008 183 HA CYS 52 HA CYS 52 -12.573 -21.743 -21.406 184 HB2 CYS 52 HB2 CYS 52 -13.376 -19.537 -19.957 185 HB3 CYS 52 HB3 CYS 52 -14.629 -20.719 -19.591 186 H ALA 53 H ALA 53 -15.641 -20.571 -22.527 187 HA ALA 53 HA ALA 53 -17.283 -22.708 -21.724 188 HB1 ALA 53 HB1 ALA 53 -17.763 -20.351 -22.902 189 HB2 ALA 53 HB2 ALA 53 -17.885 -21.409 -24.309 190 HB3 ALA 53 HB3 ALA 53 -18.918 -21.685 -22.907 191 H SER 54 H SER 54 -14.944 -22.412 -24.258 192 HA SER 54 HA SER 54 -15.840 -24.371 -26.037 193 HB2 SER 54 HB2 SER 54 -13.055 -23.427 -25.347 194 HB3 SER 54 HB3 SER 54 -13.380 -24.582 -26.639 195 HG SER 54 HG SER 54 -14.646 -23.015 -27.659 196 H CYS 55 H CYS 55 -14.363 -24.639 -22.918 197 HA CYS 55 HA CYS 55 -13.232 -27.159 -22.987 198 HB2 CYS 55 HB2 CYS 55 -14.638 -25.636 -20.808 199 HB3 CYS 55 HB3 CYS 55 -14.007 -27.254 -20.517 200 H ARG 56 H ARG 56 -16.593 -26.249 -22.959 201 HA ARG 56 HA ARG 56 -17.825 -28.554 -22.073 202 HB2 ARG 56 HB2 ARG 56 -19.772 -27.840 -23.226 203 HB3 ARG 56 HB3 ARG 56 -18.919 -26.376 -22.753 204 HG2 ARG 56 HG2 ARG 56 -17.942 -26.318 -25.064 205 HG3 ARG 56 HG3 ARG 56 -19.052 -27.624 -25.483 206 HD2 ARG 56 HD2 ARG 56 -20.361 -25.401 -24.131 207 HD3 ARG 56 HD3 ARG 56 -19.583 -24.926 -25.640 208 HE ARG 56 HE ARG 56 -21.935 -26.521 -25.347 209 HH11 ARG 56 HH11 ARG 56 -19.161 -25.936 -27.367 210 HH12 ARG 56 HH12 ARG 56 -19.923 -26.523 -28.808 211 HH21 ARG 56 HH21 ARG 56 -22.949 -27.297 -27.237 212 HH22 ARG 56 HH22 ARG 56 -22.078 -27.296 -28.733 213 H ALA 57 H ALA 57 -16.215 -27.942 -25.107 214 HA ALA 57 HA ALA 57 -16.969 -30.631 -26.043 215 HB1 ALA 57 HB1 ALA 57 -17.378 -29.708 -28.016 216 HB2 ALA 57 HB2 ALA 57 -16.937 -28.126 -27.371 217 HB3 ALA 57 HB3 ALA 57 -15.707 -29.151 -28.110 218 H ARG 58 H ARG 58 -14.296 -28.462 -25.384 219 HA ARG 58 HA ARG 58 -12.437 -30.705 -25.831 220 HB2 ARG 58 HB2 ARG 58 -12.266 -27.840 -26.579 221 HB3 ARG 58 HB3 ARG 58 -10.789 -28.586 -25.984 222 HG2 ARG 58 HG2 ARG 58 -10.785 -30.185 -27.729 223 HG3 ARG 58 HG3 ARG 58 -12.426 -29.756 -28.214 224 HD2 ARG 58 HD2 ARG 58 -10.261 -27.694 -28.250 225 HD3 ARG 58 HD3 ARG 58 -10.396 -28.855 -29.570 226 HE ARG 58 HE ARG 58 -12.122 -26.626 -29.046 227 HH11 ARG 58 HH11 ARG 58 -11.912 -29.785 -30.495 228 HH12 ARG 58 HH12 ARG 58 -13.207 -29.502 -31.611 229 HH21 ARG 58 HH21 ARG 58 -13.829 -26.242 -30.510 230 HH22 ARG 58 HH22 ARG 58 -14.296 -27.486 -31.619 231 HA PRO 59 HA PRO 59 -12.375 -29.470 -21.340 232 HB2 PRO 59 HB2 PRO 59 -12.556 -32.006 -20.389 233 HB3 PRO 59 HB3 PRO 59 -13.972 -31.027 -20.790 234 HG2 PRO 59 HG2 PRO 59 -12.629 -33.165 -22.399 235 HG3 PRO 59 HG3 PRO 59 -14.361 -32.877 -22.145 236 HD2 PRO 59 HD2 PRO 59 -13.070 -32.108 -24.398 237 HD3 PRO 59 HD3 PRO 59 -14.442 -31.202 -23.727 238 H HIS 60 H HIS 60 -10.583 -31.555 -23.417 239 HA HIS 60 HA HIS 60 -8.354 -31.616 -21.493 240 HB2 HIS 60 HB2 HIS 60 -7.482 -33.476 -23.008 241 HB3 HIS 60 HB3 HIS 60 -8.899 -33.853 -22.033 242 HD1 HIS 60 HD1 HIS 60 -8.618 -32.192 -25.449 243 HD2 HIS 60 HD2 HIS 60 -10.441 -35.429 -23.591 244 HE1 HIS 60 HE1 HIS 60 -10.049 -33.263 -27.218 245 H SER 61 H SER 61 -8.586 -29.250 -22.672 246 HA SER 61 HA SER 61 -6.610 -29.282 -24.859 247 HB2 SER 61 HB2 SER 61 -9.072 -27.682 -24.426 248 HB3 SER 61 HB3 SER 61 -7.687 -26.825 -25.103 249 HG SER 61 HG SER 61 -7.623 -28.360 -26.769 250 H ASP 62 H ASP 62 -5.061 -27.550 -24.901 251 HA ASP 62 HA ASP 62 -3.797 -27.097 -22.451 252 HB2 ASP 62 HB2 ASP 62 -3.524 -25.647 -25.090 253 HB3 ASP 62 HB3 ASP 62 -2.447 -25.399 -23.717 254 H PHE 63 H PHE 63 -5.615 -24.785 -24.469 255 HA PHE 63 HA PHE 63 -5.509 -22.656 -22.640 256 HB2 PHE 63 HB2 PHE 63 -7.420 -21.728 -23.949 257 HB3 PHE 63 HB3 PHE 63 -6.070 -22.248 -24.952 258 HD1 PHE 63 HD1 PHE 63 -9.457 -23.148 -23.798 259 HD2 PHE 63 HD2 PHE 63 -6.332 -23.937 -26.578 260 HE1 PHE 63 HE1 PHE 63 -10.985 -24.563 -25.109 261 HE2 PHE 63 HE2 PHE 63 -7.855 -25.352 -27.893 262 HZ PHE 63 HZ PHE 63 -10.185 -25.666 -27.160 263 H CYS 64 H CYS 64 -7.551 -25.454 -22.828 264 HA CYS 64 HA CYS 64 -9.715 -24.544 -21.272 265 HB2 CYS 64 HB2 CYS 64 -9.682 -26.629 -22.670 266 HB3 CYS 64 HB3 CYS 64 -8.672 -27.376 -21.438 267 H LEU 65 H LEU 65 -6.904 -26.526 -20.328 268 HA LEU 65 HA LEU 65 -7.495 -26.407 -17.551 269 HB2 LEU 65 HB2 LEU 65 -4.944 -27.087 -19.004 270 HB3 LEU 65 HB3 LEU 65 -5.196 -27.300 -17.272 271 HG LEU 65 HG LEU 65 -6.954 -28.666 -19.286 272 HD11 LEU 65 HD11 LEU 65 -4.527 -29.946 -18.078 273 HD12 LEU 65 HD12 LEU 65 -4.461 -29.124 -19.636 274 HD13 LEU 65 HD13 LEU 65 -5.530 -30.509 -19.416 275 HD21 LEU 65 HD21 LEU 65 -6.232 -29.918 -16.729 276 HD22 LEU 65 HD22 LEU 65 -7.799 -29.781 -17.528 277 HD23 LEU 65 HD23 LEU 65 -7.164 -28.426 -16.593 278 H GLY 66 H GLY 66 -5.567 -24.450 -19.726 279 HA2 GLY 66 HA2 GLY 66 -4.184 -23.006 -17.686 280 HA3 GLY 66 HA3 GLY 66 -4.309 -22.551 -19.378 281 H CYS 67 H CYS 67 -7.268 -22.629 -19.276 282 HA CYS 67 HA CYS 67 -7.803 -19.954 -18.856 283 HB2 CYS 67 HB2 CYS 67 -9.336 -21.315 -20.112 284 HB3 CYS 67 HB3 CYS 67 -9.657 -22.336 -18.714 285 H ALA 68 H ALA 68 -9.224 -22.442 -16.750 286 HA ALA 68 HA ALA 68 -9.748 -20.711 -14.620 287 HB1 ALA 68 HB1 ALA 68 -9.569 -23.678 -14.887 288 HB2 ALA 68 HB2 ALA 68 -9.739 -22.955 -13.287 289 HB3 ALA 68 HB3 ALA 68 -10.965 -22.663 -14.521 290 H ALA 69 H ALA 69 -8.452 -19.756 -13.205 291 HA ALA 69 HA ALA 69 -5.696 -20.709 -12.935 292 HB1 ALA 69 HB1 ALA 69 -6.154 -18.281 -11.509 293 HB2 ALA 69 HB2 ALA 69 -5.148 -18.560 -12.931 294 HB3 ALA 69 HB3 ALA 69 -6.851 -18.143 -13.124 295 H ALA 70 H ALA 70 -5.697 -22.318 -11.443 296 HA ALA 70 HA ALA 70 -6.507 -21.573 -8.723 297 HB1 ALA 70 HB1 ALA 70 -7.352 -23.911 -8.393 298 HB2 ALA 70 HB2 ALA 70 -8.331 -22.908 -9.465 299 HB3 ALA 70 HB3 ALA 70 -7.246 -24.124 -10.141 Start of MODEL 10 1 H1 GLY 21 H1 GLY 21 9.130 -2.852 -31.341 2 HA2 GLY 21 HA2 GLY 21 7.333 -0.891 -31.340 3 HA3 GLY 21 HA3 GLY 21 6.597 -1.991 -30.184 4 H SER 22 H SER 22 6.978 0.206 -29.006 5 HA SER 22 HA SER 22 9.639 0.154 -27.745 6 HB2 SER 22 HB2 SER 22 9.204 2.283 -28.810 7 HB3 SER 22 HB3 SER 22 7.641 2.413 -28.004 8 HG SER 22 HG SER 22 8.601 3.035 -26.221 9 H SER 23 H SER 23 9.760 -0.540 -25.723 10 HA SER 23 HA SER 23 7.679 0.012 -23.804 11 HB2 SER 23 HB2 SER 23 8.344 -2.887 -24.332 12 HB3 SER 23 HB3 SER 23 7.087 -2.240 -23.276 13 HG SER 23 HG SER 23 6.982 -2.786 -25.915 14 H GLY 24 H GLY 24 10.367 -2.300 -24.251 15 HA2 GLY 24 HA2 GLY 24 12.485 -1.493 -23.079 16 HA3 GLY 24 HA3 GLY 24 11.446 -1.374 -21.666 17 H SER 25 H SER 25 13.611 -2.879 -21.365 18 HA SER 25 HA SER 25 13.001 -5.650 -21.990 19 HB2 SER 25 HB2 SER 25 15.313 -4.994 -22.208 20 HB3 SER 25 HB3 SER 25 15.336 -4.356 -20.565 21 HG SER 25 HG SER 25 15.250 -7.037 -21.429 22 H SER 26 H SER 26 13.618 -3.730 -19.051 23 HA SER 26 HA SER 26 12.566 -5.848 -17.376 24 HB2 SER 26 HB2 SER 26 12.942 -3.880 -15.618 25 HB3 SER 26 HB3 SER 26 14.286 -4.844 -16.231 26 HG SER 26 HG SER 26 14.751 -2.628 -16.377 27 H GLY 27 H GLY 27 11.716 -2.474 -18.136 28 HA2 GLY 27 HA2 GLY 27 9.176 -2.736 -16.755 29 HA3 GLY 27 HA3 GLY 27 9.784 -1.297 -17.561 30 H GLU 28 H GLU 28 7.183 -2.896 -17.653 31 HA GLU 28 HA GLU 28 6.796 -2.598 -20.498 32 HB2 GLU 28 HB2 GLU 28 7.546 -5.099 -19.634 33 HB3 GLU 28 HB3 GLU 28 5.792 -5.212 -19.632 34 HG2 GLU 28 HG2 GLU 28 5.964 -4.210 -22.009 35 HG3 GLU 28 HG3 GLU 28 7.648 -4.724 -21.920 36 H GLN 29 H GLN 29 4.619 -2.414 -21.089 37 HA GLN 29 HA GLN 29 2.756 -2.203 -18.816 38 HB2 GLN 29 HB2 GLN 29 3.518 -0.123 -20.268 39 HB3 GLN 29 HB3 GLN 29 2.277 -0.720 -21.361 40 HG2 GLN 29 HG2 GLN 29 0.571 -0.351 -19.827 41 HG3 GLN 29 HG3 GLN 29 1.686 -0.272 -18.464 42 HE21 GLN 29 HE21 GLN 29 2.843 1.616 -18.090 43 HE22 GLN 29 HE22 GLN 29 2.407 3.121 -18.818 44 H ALA 30 H ALA 30 2.944 -4.666 -19.827 45 HA ALA 30 HA ALA 30 0.313 -5.138 -20.843 46 HB1 ALA 30 HB1 ALA 30 1.953 -6.499 -22.734 47 HB2 ALA 30 HB2 ALA 30 0.692 -5.299 -23.022 48 HB3 ALA 30 HB3 ALA 30 2.358 -4.782 -22.760 49 HA PRO 31 HA PRO 31 0.882 -9.014 -18.868 50 HB2 PRO 31 HB2 PRO 31 -0.626 -10.676 -20.396 51 HB3 PRO 31 HB3 PRO 31 -1.326 -9.461 -19.320 52 HG2 PRO 31 HG2 PRO 31 -0.881 -9.340 -22.277 53 HG3 PRO 31 HG3 PRO 31 -2.291 -8.820 -21.336 54 HD2 PRO 31 HD2 PRO 31 -0.422 -7.082 -22.239 55 HD3 PRO 31 HD3 PRO 31 -1.304 -6.831 -20.719 56 H GLY 32 H GLY 32 1.090 -9.346 -22.418 57 HA2 GLY 32 HA2 GLY 32 2.521 -10.553 -23.745 58 HA3 GLY 32 HA3 GLY 32 3.712 -10.286 -22.481 59 H THR 33 H THR 33 0.727 -12.021 -21.930 60 HA THR 33 HA THR 33 2.081 -14.597 -22.113 61 HB THR 33 HB THR 33 2.555 -14.047 -19.833 62 HG1 THR 33 HG1 THR 33 1.960 -16.140 -19.844 63 HG21 THR 33 HG21 THR 33 0.905 -13.334 -18.239 64 HG22 THR 33 HG22 THR 33 -0.389 -13.524 -19.421 65 HG23 THR 33 HG23 THR 33 0.822 -12.260 -19.634 66 H ALA 34 H ALA 34 -0.897 -12.836 -21.361 67 HA ALA 34 HA ALA 34 -2.415 -14.616 -23.047 68 HB1 ALA 34 HB1 ALA 34 -3.869 -15.527 -21.457 69 HB2 ALA 34 HB2 ALA 34 -2.266 -15.715 -20.744 70 HB3 ALA 34 HB3 ALA 34 -3.329 -14.419 -20.196 71 HA PRO 35 HA PRO 35 -3.822 -10.171 -22.765 72 HB2 PRO 35 HB2 PRO 35 -3.667 -9.686 -25.432 73 HB3 PRO 35 HB3 PRO 35 -2.299 -9.467 -24.334 74 HG2 PRO 35 HG2 PRO 35 -2.917 -11.761 -26.155 75 HG3 PRO 35 HG3 PRO 35 -1.365 -10.959 -25.853 76 HD2 PRO 35 HD2 PRO 35 -2.038 -13.314 -24.698 77 HD3 PRO 35 HD3 PRO 35 -1.007 -12.114 -23.891 78 H CYS 36 H CYS 36 -5.794 -11.452 -22.189 79 HA CYS 36 HA CYS 36 -7.695 -11.367 -24.424 80 HB2 CYS 36 HB2 CYS 36 -7.633 -13.581 -22.365 81 HB3 CYS 36 HB3 CYS 36 -8.728 -13.446 -23.738 82 H SER 37 H SER 37 -9.982 -12.065 -23.143 83 HA SER 37 HA SER 37 -10.231 -9.961 -21.099 84 HB2 SER 37 HB2 SER 37 -12.434 -9.547 -21.839 85 HB3 SER 37 HB3 SER 37 -11.511 -9.775 -23.324 86 HG SER 37 HG SER 37 -13.312 -11.021 -23.530 87 H ARG 38 H ARG 38 -12.148 -10.357 -19.584 88 HA ARG 38 HA ARG 38 -11.640 -12.567 -17.991 89 HB2 ARG 38 HB2 ARG 38 -13.284 -10.324 -17.854 90 HB3 ARG 38 HB3 ARG 38 -14.399 -11.681 -17.765 91 HG2 ARG 38 HG2 ARG 38 -12.941 -12.609 -15.932 92 HG3 ARG 38 HG3 ARG 38 -12.101 -11.057 -15.935 93 HD2 ARG 38 HD2 ARG 38 -15.069 -11.059 -15.747 94 HD3 ARG 38 HD3 ARG 38 -14.143 -11.532 -14.324 95 HE ARG 38 HE ARG 38 -13.225 -9.083 -15.495 96 HH11 ARG 38 HH11 ARG 38 -15.568 -10.499 -13.344 97 HH12 ARG 38 HH12 ARG 38 -15.813 -9.041 -12.441 98 HH21 ARG 38 HH21 ARG 38 -13.539 -7.158 -14.313 99 HH22 ARG 38 HH22 ARG 38 -14.659 -7.140 -12.994 100 H GLY 39 H GLY 39 -11.951 -14.652 -18.381 101 HA2 GLY 39 HA2 GLY 39 -13.341 -16.537 -18.716 102 HA3 GLY 39 HA3 GLY 39 -14.480 -15.513 -19.578 103 H SER 40 H SER 40 -10.993 -15.836 -20.100 104 HA SER 40 HA SER 40 -11.412 -17.360 -22.531 105 HB2 SER 40 HB2 SER 40 -9.900 -14.784 -22.828 106 HB3 SER 40 HB3 SER 40 -10.665 -15.775 -24.070 107 HG SER 40 HG SER 40 -12.380 -14.605 -23.835 108 H SER 41 H SER 41 -9.466 -18.223 -23.411 109 HA SER 41 HA SER 41 -7.072 -17.912 -21.740 110 HB2 SER 41 HB2 SER 41 -8.089 -19.917 -20.897 111 HB3 SER 41 HB3 SER 41 -8.380 -20.522 -22.528 112 HG SER 41 HG SER 41 -5.765 -19.952 -21.647 113 H TRP 42 H TRP 42 -5.254 -17.679 -22.877 114 HA TRP 42 HA TRP 42 -5.401 -17.858 -25.774 115 HB2 TRP 42 HB2 TRP 42 -4.389 -15.859 -24.976 116 HB3 TRP 42 HB3 TRP 42 -3.343 -16.745 -23.870 117 HD1 TRP 42 HD1 TRP 42 -1.201 -17.990 -24.940 118 HE1 TRP 42 HE1 TRP 42 0.090 -17.565 -27.126 119 HE3 TRP 42 HE3 TRP 42 -4.661 -15.127 -27.383 120 HZ2 TRP 42 HZ2 TRP 42 -0.306 -16.197 -29.563 121 HZ3 TRP 42 HZ3 TRP 42 -4.127 -14.300 -29.637 122 HH2 TRP 42 HH2 TRP 42 -1.994 -14.824 -30.703 123 H SER 43 H SER 43 -4.719 -19.558 -26.887 124 HA SER 43 HA SER 43 -3.010 -21.529 -25.540 125 HB2 SER 43 HB2 SER 43 -5.360 -21.932 -26.833 126 HB3 SER 43 HB3 SER 43 -4.222 -22.212 -28.151 127 HG SER 43 HG SER 43 -4.014 -24.115 -27.293 128 H ALA 44 H ALA 44 -0.993 -21.917 -26.206 129 HA ALA 44 HA ALA 44 0.178 -20.247 -28.221 130 HB1 ALA 44 HB1 ALA 44 1.195 -22.301 -26.314 131 HB2 ALA 44 HB2 ALA 44 2.207 -21.810 -27.673 132 HB3 ALA 44 HB3 ALA 44 1.658 -20.610 -26.503 133 H ASP 45 H ASP 45 -1.372 -23.257 -28.251 134 HA ASP 45 HA ASP 45 0.069 -24.569 -30.302 135 HB2 ASP 45 HB2 ASP 45 -2.465 -24.947 -28.878 136 HB3 ASP 45 HB3 ASP 45 -2.508 -25.504 -30.549 137 H LEU 46 H LEU 46 -3.065 -22.866 -30.454 138 HA LEU 46 HA LEU 46 -2.705 -22.567 -33.345 139 HB2 LEU 46 HB2 LEU 46 -5.059 -22.380 -31.505 140 HB3 LEU 46 HB3 LEU 46 -5.120 -21.658 -33.112 141 HG LEU 46 HG LEU 46 -4.478 -24.564 -32.676 142 HD11 LEU 46 HD11 LEU 46 -6.730 -23.814 -31.720 143 HD12 LEU 46 HD12 LEU 46 -6.730 -25.145 -32.877 144 HD13 LEU 46 HD13 LEU 46 -7.198 -23.526 -33.396 145 HD21 LEU 46 HD21 LEU 46 -5.635 -24.438 -35.064 146 HD22 LEU 46 HD22 LEU 46 -3.909 -24.156 -34.840 147 HD23 LEU 46 HD23 LEU 46 -5.012 -22.789 -34.992 148 H ASP 47 H ASP 47 -2.403 -20.820 -30.453 149 HA ASP 47 HA ASP 47 -1.849 -18.660 -30.002 150 HB2 ASP 47 HB2 ASP 47 -1.611 -18.101 -32.945 151 HB3 ASP 47 HB3 ASP 47 -0.682 -17.421 -31.612 152 H LYS 48 H LYS 48 -4.072 -18.414 -29.323 153 HA LYS 48 HA LYS 48 -5.300 -16.125 -30.408 154 HB2 LYS 48 HB2 LYS 48 -7.253 -16.970 -31.438 155 HB3 LYS 48 HB3 LYS 48 -5.921 -17.882 -32.135 156 HG2 LYS 48 HG2 LYS 48 -7.550 -18.900 -29.826 157 HG3 LYS 48 HG3 LYS 48 -7.981 -19.197 -31.512 158 HD2 LYS 48 HD2 LYS 48 -6.609 -20.947 -31.499 159 HD3 LYS 48 HD3 LYS 48 -5.256 -19.835 -31.280 160 HE2 LYS 48 HE2 LYS 48 -4.898 -20.706 -29.269 161 HE3 LYS 48 HE3 LYS 48 -6.488 -20.139 -28.760 162 HZ1 LYS 48 HZ1 LYS 48 -5.676 -22.803 -29.687 163 HZ2 LYS 48 HZ2 LYS 48 -7.266 -22.296 -29.965 164 HZ3 LYS 48 HZ3 LYS 48 -6.667 -22.373 -28.385 165 H CYS 49 H CYS 49 -7.280 -15.532 -29.265 166 HA CYS 49 HA CYS 49 -7.199 -16.496 -26.529 167 HB2 CYS 49 HB2 CYS 49 -8.517 -14.176 -27.911 168 HB3 CYS 49 HB3 CYS 49 -9.001 -14.639 -26.282 169 H MET 50 H MET 50 -8.190 -18.452 -26.389 170 HA MET 50 HA MET 50 -10.728 -18.936 -27.689 171 HB2 MET 50 HB2 MET 50 -8.974 -20.602 -25.890 172 HB3 MET 50 HB3 MET 50 -10.551 -21.150 -26.442 173 HG2 MET 50 HG2 MET 50 -8.446 -20.263 -28.377 174 HG3 MET 50 HG3 MET 50 -8.476 -21.903 -27.733 175 HE1 MET 50 HE1 MET 50 -10.759 -23.684 -28.377 176 HE2 MET 50 HE2 MET 50 -10.494 -23.686 -30.121 177 HE3 MET 50 HE3 MET 50 -9.122 -23.555 -29.022 178 H ASP 51 H ASP 51 -12.520 -19.939 -26.346 179 HA ASP 51 HA ASP 51 -12.932 -18.267 -23.964 180 HB2 ASP 51 HB2 ASP 51 -14.515 -18.206 -26.020 181 HB3 ASP 51 HB3 ASP 51 -15.121 -19.740 -25.402 182 H CYS 52 H CYS 52 -13.380 -19.147 -22.011 183 HA CYS 52 HA CYS 52 -12.569 -21.724 -21.391 184 HB2 CYS 52 HB2 CYS 52 -13.384 -19.512 -19.957 185 HB3 CYS 52 HB3 CYS 52 -14.631 -20.697 -19.584 186 H ALA 53 H ALA 53 -15.642 -20.575 -22.524 187 HA ALA 53 HA ALA 53 -17.270 -22.720 -21.707 188 HB1 ALA 53 HB1 ALA 53 -17.832 -21.364 -24.289 189 HB2 ALA 53 HB2 ALA 53 -18.918 -21.760 -22.956 190 HB3 ALA 53 HB3 ALA 53 -17.821 -20.386 -22.821 191 H SER 54 H SER 54 -14.939 -22.414 -24.246 192 HA SER 54 HA SER 54 -15.825 -24.376 -26.025 193 HB2 SER 54 HB2 SER 54 -12.976 -23.616 -25.336 194 HB3 SER 54 HB3 SER 54 -13.478 -24.512 -26.769 195 HG SER 54 HG SER 54 -14.889 -22.564 -27.121 196 H CYS 55 H CYS 55 -14.353 -24.643 -22.903 197 HA CYS 55 HA CYS 55 -13.219 -27.162 -22.972 198 HB2 CYS 55 HB2 CYS 55 -14.629 -25.642 -20.794 199 HB3 CYS 55 HB3 CYS 55 -13.996 -27.258 -20.503 200 H ARG 56 H ARG 56 -16.581 -26.255 -22.948 201 HA ARG 56 HA ARG 56 -17.812 -28.561 -22.064 202 HB2 ARG 56 HB2 ARG 56 -19.758 -27.847 -23.219 203 HB3 ARG 56 HB3 ARG 56 -18.907 -26.383 -22.744 204 HG2 ARG 56 HG2 ARG 56 -17.910 -26.369 -25.069 205 HG3 ARG 56 HG3 ARG 56 -19.085 -27.623 -25.472 206 HD2 ARG 56 HD2 ARG 56 -20.864 -26.038 -24.614 207 HD3 ARG 56 HD3 ARG 56 -19.613 -24.796 -24.586 208 HE ARG 56 HE ARG 56 -19.550 -25.887 -27.118 209 HH11 ARG 56 HH11 ARG 56 -21.866 -24.222 -25.123 210 HH12 ARG 56 HH12 ARG 56 -22.698 -23.504 -26.462 211 HH21 ARG 56 HH21 ARG 56 -20.637 -24.947 -28.890 212 HH22 ARG 56 HH22 ARG 56 -21.999 -23.918 -28.604 213 H ALA 57 H ALA 57 -16.237 -27.931 -25.120 214 HA ALA 57 HA ALA 57 -16.959 -30.636 -26.035 215 HB1 ALA 57 HB1 ALA 57 -16.029 -28.272 -27.660 216 HB2 ALA 57 HB2 ALA 57 -16.442 -29.864 -28.297 217 HB3 ALA 57 HB3 ALA 57 -17.686 -28.866 -27.544 218 H ARG 58 H ARG 58 -14.327 -28.452 -25.337 219 HA ARG 58 HA ARG 58 -12.430 -30.647 -25.855 220 HB2 ARG 58 HB2 ARG 58 -12.305 -27.761 -26.539 221 HB3 ARG 58 HB3 ARG 58 -10.813 -28.511 -25.988 222 HG2 ARG 58 HG2 ARG 58 -10.590 -29.766 -27.856 223 HG3 ARG 58 HG3 ARG 58 -12.331 -29.959 -28.067 224 HD2 ARG 58 HD2 ARG 58 -12.249 -27.400 -28.599 225 HD3 ARG 58 HD3 ARG 58 -10.547 -27.725 -28.926 226 HE ARG 58 HE ARG 58 -11.178 -28.694 -30.886 227 HH11 ARG 58 HH11 ARG 58 -13.904 -28.709 -28.721 228 HH12 ARG 58 HH12 ARG 58 -15.000 -29.357 -29.897 229 HH21 ARG 58 HH21 ARG 58 -12.611 -29.547 -32.443 230 HH22 ARG 58 HH22 ARG 58 -14.263 -29.834 -32.013 231 HA PRO 59 HA PRO 59 -12.363 -29.467 -21.344 232 HB2 PRO 59 HB2 PRO 59 -12.549 -32.013 -20.419 233 HB3 PRO 59 HB3 PRO 59 -13.964 -31.024 -20.804 234 HG2 PRO 59 HG2 PRO 59 -12.636 -33.149 -22.442 235 HG3 PRO 59 HG3 PRO 59 -14.365 -32.858 -22.177 236 HD2 PRO 59 HD2 PRO 59 -13.082 -32.069 -24.427 237 HD3 PRO 59 HD3 PRO 59 -14.447 -31.166 -23.740 238 H HIS 60 H HIS 60 -10.588 -31.532 -23.453 239 HA HIS 60 HA HIS 60 -8.350 -31.621 -21.540 240 HB2 HIS 60 HB2 HIS 60 -7.492 -33.470 -23.080 241 HB3 HIS 60 HB3 HIS 60 -8.903 -33.851 -22.097 242 HD1 HIS 60 HD1 HIS 60 -8.798 -32.051 -25.440 243 HD2 HIS 60 HD2 HIS 60 -10.305 -35.518 -23.718 244 HE1 HIS 60 HE1 HIS 60 -10.207 -33.129 -27.223 245 H SER 61 H SER 61 -8.529 -29.244 -22.650 246 HA SER 61 HA SER 61 -6.568 -29.262 -24.851 247 HB2 SER 61 HB2 SER 61 -9.042 -27.678 -24.434 248 HB3 SER 61 HB3 SER 61 -7.656 -26.806 -25.089 249 HG SER 61 HG SER 61 -8.189 -27.668 -26.920 250 H ASP 62 H ASP 62 -5.022 -27.531 -24.875 251 HA ASP 62 HA ASP 62 -3.781 -27.077 -22.414 252 HB2 ASP 62 HB2 ASP 62 -3.489 -25.675 -25.073 253 HB3 ASP 62 HB3 ASP 62 -2.457 -25.332 -23.688 254 H PHE 63 H PHE 63 -5.597 -24.774 -24.442 255 HA PHE 63 HA PHE 63 -5.507 -22.641 -22.616 256 HB2 PHE 63 HB2 PHE 63 -7.415 -21.722 -23.933 257 HB3 PHE 63 HB3 PHE 63 -6.063 -22.244 -24.933 258 HD1 PHE 63 HD1 PHE 63 -9.446 -23.158 -23.770 259 HD2 PHE 63 HD2 PHE 63 -6.326 -23.923 -26.563 260 HE1 PHE 63 HE1 PHE 63 -10.970 -24.580 -25.077 261 HE2 PHE 63 HE2 PHE 63 -7.846 -25.345 -27.875 262 HZ PHE 63 HZ PHE 63 -10.171 -25.676 -27.132 263 H CYS 64 H CYS 64 -7.535 -25.449 -22.806 264 HA CYS 64 HA CYS 64 -9.704 -24.542 -21.251 265 HB2 CYS 64 HB2 CYS 64 -9.673 -26.621 -22.658 266 HB3 CYS 64 HB3 CYS 64 -8.662 -27.374 -21.429 267 H LEU 65 H LEU 65 -6.882 -26.514 -20.318 268 HA LEU 65 HA LEU 65 -7.479 -26.404 -17.538 269 HB2 LEU 65 HB2 LEU 65 -4.948 -27.114 -19.009 270 HB3 LEU 65 HB3 LEU 65 -5.168 -27.297 -17.270 271 HG LEU 65 HG LEU 65 -6.756 -28.743 -19.391 272 HD11 LEU 65 HD11 LEU 65 -4.506 -29.680 -17.618 273 HD12 LEU 65 HD12 LEU 65 -4.469 -29.516 -19.374 274 HD13 LEU 65 HD13 LEU 65 -5.511 -30.725 -18.623 275 HD21 LEU 65 HD21 LEU 65 -8.215 -28.962 -17.705 276 HD22 LEU 65 HD22 LEU 65 -7.045 -28.434 -16.495 277 HD23 LEU 65 HD23 LEU 65 -7.046 -30.109 -17.048 278 H GLY 66 H GLY 66 -5.603 -24.425 -19.720 279 HA2 GLY 66 HA2 GLY 66 -4.184 -23.002 -17.679 280 HA3 GLY 66 HA3 GLY 66 -4.313 -22.544 -19.371 281 H CYS 67 H CYS 67 -7.272 -22.612 -19.259 282 HA CYS 67 HA CYS 67 -7.791 -19.933 -18.823 283 HB2 CYS 67 HB2 CYS 67 -9.325 -21.272 -20.102 284 HB3 CYS 67 HB3 CYS 67 -9.659 -22.306 -18.716 285 H ALA 68 H ALA 68 -9.238 -22.433 -16.751 286 HA ALA 68 HA ALA 68 -9.764 -20.721 -14.606 287 HB1 ALA 68 HB1 ALA 68 -10.993 -22.669 -14.544 288 HB2 ALA 68 HB2 ALA 68 -9.596 -23.688 -14.895 289 HB3 ALA 68 HB3 ALA 68 -9.785 -22.972 -13.294 290 H ALA 69 H ALA 69 -8.544 -19.902 -13.029 291 HA ALA 69 HA ALA 69 -5.765 -20.827 -12.808 292 HB1 ALA 69 HB1 ALA 69 -5.519 -18.615 -11.526 293 HB2 ALA 69 HB2 ALA 69 -5.744 -18.543 -13.274 294 HB3 ALA 69 HB3 ALA 69 -7.100 -18.214 -12.196 295 H ALA 70 H ALA 70 -5.558 -22.342 -11.283 296 HA ALA 70 HA ALA 70 -6.210 -21.697 -8.555 297 HB1 ALA 70 HB1 ALA 70 -7.328 -24.284 -8.882 298 HB2 ALA 70 HB2 ALA 70 -8.122 -22.801 -8.350 299 HB3 ALA 70 HB3 ALA 70 -8.076 -23.210 -10.065 Start of MODEL 11 1 H1 GLY 21 H1 GLY 21 -1.385 -0.457 -1.360 2 HA2 GLY 21 HA2 GLY 21 -2.576 -0.137 1.156 3 HA3 GLY 21 HA3 GLY 21 -3.838 0.016 -0.058 4 H SER 22 H SER 22 -4.941 -1.845 0.354 5 HA SER 22 HA SER 22 -5.454 -4.060 0.309 6 HB2 SER 22 HB2 SER 22 -3.007 -4.786 -1.215 7 HB3 SER 22 HB3 SER 22 -4.690 -5.226 -1.506 8 HG SER 22 HG SER 22 -4.768 -3.657 -2.884 9 H SER 23 H SER 23 -4.080 -6.376 0.427 10 HA SER 23 HA SER 23 -2.623 -6.110 2.964 11 HB2 SER 23 HB2 SER 23 -3.704 -8.696 1.866 12 HB3 SER 23 HB3 SER 23 -3.352 -8.270 3.541 13 HG SER 23 HG SER 23 -5.481 -8.016 3.474 14 H GLY 24 H GLY 24 -1.212 -5.513 0.636 15 HA2 GLY 24 HA2 GLY 24 0.811 -5.971 -0.348 16 HA3 GLY 24 HA3 GLY 24 1.056 -7.160 0.923 17 H SER 25 H SER 25 -1.171 -6.868 -1.848 18 HA SER 25 HA SER 25 -0.558 -9.663 -2.512 19 HB2 SER 25 HB2 SER 25 -2.960 -7.942 -2.813 20 HB3 SER 25 HB3 SER 25 -2.666 -9.121 -4.091 21 HG SER 25 HG SER 25 -3.423 -9.505 -1.467 22 H SER 26 H SER 26 0.360 -10.218 -4.407 23 HA SER 26 HA SER 26 1.332 -8.055 -6.100 24 HB2 SER 26 HB2 SER 26 1.992 -10.963 -6.490 25 HB3 SER 26 HB3 SER 26 2.965 -9.545 -6.880 26 HG SER 26 HG SER 26 3.879 -10.117 -5.045 27 H GLY 27 H GLY 27 0.854 -7.809 -8.249 28 HA2 GLY 27 HA2 GLY 27 -0.524 -9.732 -9.812 29 HA3 GLY 27 HA3 GLY 27 -1.659 -8.550 -9.179 30 H GLU 28 H GLU 28 0.214 -9.294 -11.773 31 HA GLU 28 HA GLU 28 1.046 -6.624 -12.487 32 HB2 GLU 28 HB2 GLU 28 1.817 -9.181 -13.245 33 HB3 GLU 28 HB3 GLU 28 0.989 -8.558 -14.665 34 HG2 GLU 28 HG2 GLU 28 3.238 -7.997 -14.964 35 HG3 GLU 28 HG3 GLU 28 2.455 -6.505 -14.447 36 H GLN 29 H GLN 29 0.122 -5.275 -13.978 37 HA GLN 29 HA GLN 29 -2.686 -5.559 -14.410 38 HB2 GLN 29 HB2 GLN 29 -1.535 -3.375 -14.044 39 HB3 GLN 29 HB3 GLN 29 -0.795 -3.542 -15.630 40 HG2 GLN 29 HG2 GLN 29 -2.593 -2.163 -16.048 41 HG3 GLN 29 HG3 GLN 29 -3.214 -3.752 -16.490 42 HE21 GLN 29 HE21 GLN 29 -5.342 -3.326 -16.136 43 HE22 GLN 29 HE22 GLN 29 -6.007 -3.001 -14.575 44 H ALA 30 H ALA 30 0.190 -6.042 -16.350 45 HA ALA 30 HA ALA 30 -1.250 -6.347 -18.822 46 HB1 ALA 30 HB1 ALA 30 0.833 -5.693 -19.386 47 HB2 ALA 30 HB2 ALA 30 1.568 -6.434 -17.964 48 HB3 ALA 30 HB3 ALA 30 1.156 -7.427 -19.362 49 HA PRO 31 HA PRO 31 -2.231 -10.622 -18.713 50 HB2 PRO 31 HB2 PRO 31 -1.693 -11.411 -21.254 51 HB3 PRO 31 HB3 PRO 31 -3.072 -10.386 -20.838 52 HG2 PRO 31 HG2 PRO 31 -0.403 -9.610 -21.949 53 HG3 PRO 31 HG3 PRO 31 -2.015 -9.028 -22.402 54 HD2 PRO 31 HD2 PRO 31 -0.360 -7.622 -20.785 55 HD3 PRO 31 HD3 PRO 31 -2.127 -7.569 -20.621 56 H GLY 32 H GLY 32 0.923 -9.847 -20.127 57 HA2 GLY 32 HA2 GLY 32 2.980 -10.795 -19.591 58 HA3 GLY 32 HA3 GLY 32 2.145 -11.980 -18.598 59 H THR 33 H THR 33 0.536 -13.318 -20.206 60 HA THR 33 HA THR 33 1.838 -14.023 -22.688 61 HB THR 33 HB THR 33 3.136 -15.301 -20.990 62 HG1 THR 33 HG1 THR 33 3.281 -16.824 -22.456 63 HG21 THR 33 HG21 THR 33 0.890 -15.625 -19.618 64 HG22 THR 33 HG22 THR 33 2.204 -16.797 -19.529 65 HG23 THR 33 HG23 THR 33 0.812 -17.110 -20.566 66 H ALA 34 H ALA 34 -0.797 -13.102 -21.685 67 HA ALA 34 HA ALA 34 -2.419 -14.809 -23.307 68 HB1 ALA 34 HB1 ALA 34 -4.047 -15.379 -21.499 69 HB2 ALA 34 HB2 ALA 34 -2.493 -16.204 -21.370 70 HB3 ALA 34 HB3 ALA 34 -2.851 -14.829 -20.326 71 HA PRO 35 HA PRO 35 -3.678 -10.336 -22.838 72 HB2 PRO 35 HB2 PRO 35 -3.564 -9.762 -25.489 73 HB3 PRO 35 HB3 PRO 35 -2.167 -9.624 -24.415 74 HG2 PRO 35 HG2 PRO 35 -2.896 -11.831 -26.301 75 HG3 PRO 35 HG3 PRO 35 -1.313 -11.090 -26.006 76 HD2 PRO 35 HD2 PRO 35 -2.036 -13.462 -24.919 77 HD3 PRO 35 HD3 PRO 35 -0.951 -12.325 -24.094 78 H CYS 36 H CYS 36 -5.677 -11.574 -22.263 79 HA CYS 36 HA CYS 36 -7.606 -11.406 -24.475 80 HB2 CYS 36 HB2 CYS 36 -7.592 -13.580 -22.371 81 HB3 CYS 36 HB3 CYS 36 -8.731 -13.419 -23.705 82 H SER 37 H SER 37 -9.910 -11.962 -23.169 83 HA SER 37 HA SER 37 -10.053 -9.787 -21.192 84 HB2 SER 37 HB2 SER 37 -11.465 -10.048 -23.514 85 HB3 SER 37 HB3 SER 37 -12.577 -10.775 -22.354 86 HG SER 37 HG SER 37 -12.832 -8.479 -22.599 87 H ARG 38 H ARG 38 -12.455 -10.268 -20.027 88 HA ARG 38 HA ARG 38 -11.819 -12.291 -18.141 89 HB2 ARG 38 HB2 ARG 38 -13.151 -10.186 -17.701 90 HB3 ARG 38 HB3 ARG 38 -14.503 -10.963 -18.514 91 HG2 ARG 38 HG2 ARG 38 -15.080 -11.720 -16.506 92 HG3 ARG 38 HG3 ARG 38 -13.732 -12.847 -16.670 93 HD2 ARG 38 HD2 ARG 38 -12.373 -10.759 -15.758 94 HD3 ARG 38 HD3 ARG 38 -13.947 -10.349 -15.077 95 HE ARG 38 HE ARG 38 -13.399 -13.027 -14.486 96 HH11 ARG 38 HH11 ARG 38 -12.233 -9.843 -13.696 97 HH12 ARG 38 HH12 ARG 38 -11.670 -10.298 -12.122 98 HH21 ARG 38 HH21 ARG 38 -12.662 -13.638 -12.415 99 HH22 ARG 38 HH22 ARG 38 -11.914 -12.456 -11.395 100 H GLY 39 H GLY 39 -12.054 -14.406 -18.404 101 HA2 GLY 39 HA2 GLY 39 -13.275 -16.379 -18.740 102 HA3 GLY 39 HA3 GLY 39 -14.498 -15.450 -19.595 103 H SER 40 H SER 40 -10.996 -15.920 -20.065 104 HA SER 40 HA SER 40 -11.417 -17.353 -22.525 105 HB2 SER 40 HB2 SER 40 -9.905 -14.779 -22.832 106 HB3 SER 40 HB3 SER 40 -10.670 -15.774 -24.070 107 HG SER 40 HG SER 40 -11.884 -14.022 -22.217 108 H SER 41 H SER 41 -9.470 -18.216 -23.407 109 HA SER 41 HA SER 41 -7.075 -17.900 -21.738 110 HB2 SER 41 HB2 SER 41 -8.089 -19.901 -20.884 111 HB3 SER 41 HB3 SER 41 -8.387 -20.513 -22.511 112 HG SER 41 HG SER 41 -6.069 -20.528 -21.003 113 H TRP 42 H TRP 42 -5.258 -17.675 -22.879 114 HA TRP 42 HA TRP 42 -5.409 -17.866 -25.774 115 HB2 TRP 42 HB2 TRP 42 -4.393 -15.865 -24.986 116 HB3 TRP 42 HB3 TRP 42 -3.346 -16.749 -23.878 117 HD1 TRP 42 HD1 TRP 42 -1.209 -18.003 -24.949 118 HE1 TRP 42 HE1 TRP 42 0.078 -17.587 -27.138 119 HE3 TRP 42 HE3 TRP 42 -4.667 -15.138 -27.392 120 HZ2 TRP 42 HZ2 TRP 42 -0.319 -16.224 -29.578 121 HZ3 TRP 42 HZ3 TRP 42 -4.135 -14.318 -29.650 122 HH2 TRP 42 HH2 TRP 42 -2.005 -14.850 -30.718 123 H SER 43 H SER 43 -4.724 -19.565 -26.886 124 HA SER 43 HA SER 43 -3.020 -21.536 -25.532 125 HB2 SER 43 HB2 SER 43 -5.371 -21.940 -26.823 126 HB3 SER 43 HB3 SER 43 -4.234 -22.226 -28.141 127 HG SER 43 HG SER 43 -3.617 -24.015 -27.213 128 H ALA 44 H ALA 44 -1.003 -21.929 -26.197 129 HA ALA 44 HA ALA 44 0.169 -20.267 -28.218 130 HB1 ALA 44 HB1 ALA 44 2.218 -21.745 -27.673 131 HB2 ALA 44 HB2 ALA 44 1.599 -20.654 -26.432 132 HB3 ALA 44 HB3 ALA 44 1.214 -22.373 -26.365 133 H ASP 45 H ASP 45 -1.389 -23.271 -28.240 134 HA ASP 45 HA ASP 45 0.051 -24.592 -30.287 135 HB2 ASP 45 HB2 ASP 45 -2.482 -24.964 -28.860 136 HB3 ASP 45 HB3 ASP 45 -2.527 -25.526 -30.529 137 H LEU 46 H LEU 46 -3.082 -22.888 -30.442 138 HA LEU 46 HA LEU 46 -2.724 -22.598 -33.333 139 HB2 LEU 46 HB2 LEU 46 -5.076 -22.404 -31.492 140 HB3 LEU 46 HB3 LEU 46 -5.139 -21.686 -33.101 141 HG LEU 46 HG LEU 46 -4.498 -24.592 -32.657 142 HD11 LEU 46 HD11 LEU 46 -6.752 -25.170 -32.858 143 HD12 LEU 46 HD12 LEU 46 -7.218 -23.550 -33.374 144 HD13 LEU 46 HD13 LEU 46 -6.747 -23.840 -31.699 145 HD21 LEU 46 HD21 LEU 46 -3.930 -24.190 -34.822 146 HD22 LEU 46 HD22 LEU 46 -5.035 -22.824 -34.977 147 HD23 LEU 46 HD23 LEU 46 -5.657 -24.473 -35.044 148 H ASP 47 H ASP 47 -2.418 -20.842 -30.447 149 HA ASP 47 HA ASP 47 -1.861 -18.681 -30.003 150 HB2 ASP 47 HB2 ASP 47 -1.611 -18.214 -32.970 151 HB3 ASP 47 HB3 ASP 47 -0.755 -17.403 -31.662 152 H LYS 48 H LYS 48 -4.084 -18.431 -29.323 153 HA LYS 48 HA LYS 48 -5.311 -16.145 -30.413 154 HB2 LYS 48 HB2 LYS 48 -7.266 -16.992 -31.439 155 HB3 LYS 48 HB3 LYS 48 -5.935 -17.907 -32.135 156 HG2 LYS 48 HG2 LYS 48 -7.563 -18.917 -29.821 157 HG3 LYS 48 HG3 LYS 48 -7.996 -19.218 -31.505 158 HD2 LYS 48 HD2 LYS 48 -6.625 -20.970 -31.488 159 HD3 LYS 48 HD3 LYS 48 -5.271 -19.858 -31.274 160 HE2 LYS 48 HE2 LYS 48 -4.912 -20.723 -29.261 161 HE3 LYS 48 HE3 LYS 48 -6.502 -20.154 -28.753 162 HZ1 LYS 48 HZ1 LYS 48 -5.685 -22.821 -29.658 163 HZ2 LYS 48 HZ2 LYS 48 -7.272 -22.318 -29.962 164 HZ3 LYS 48 HZ3 LYS 48 -6.694 -22.382 -28.373 165 H CYS 49 H CYS 49 -7.289 -15.547 -29.269 166 HA CYS 49 HA CYS 49 -7.206 -16.503 -26.531 167 HB2 CYS 49 HB2 CYS 49 -8.527 -14.188 -27.918 168 HB3 CYS 49 HB3 CYS 49 -9.005 -14.644 -26.286 169 H MET 50 H MET 50 -8.198 -18.458 -26.383 170 HA MET 50 HA MET 50 -10.736 -18.945 -27.680 171 HB2 MET 50 HB2 MET 50 -8.981 -20.606 -25.877 172 HB3 MET 50 HB3 MET 50 -10.560 -21.155 -26.424 173 HG2 MET 50 HG2 MET 50 -8.459 -20.275 -28.367 174 HG3 MET 50 HG3 MET 50 -8.485 -21.913 -27.716 175 HE1 MET 50 HE1 MET 50 -10.512 -23.708 -30.089 176 HE2 MET 50 HE2 MET 50 -9.131 -23.572 -29.000 177 HE3 MET 50 HE3 MET 50 -10.763 -23.699 -28.343 178 H ASP 51 H ASP 51 -12.528 -19.942 -26.332 179 HA ASP 51 HA ASP 51 -12.937 -18.262 -23.954 180 HB2 ASP 51 HB2 ASP 51 -14.520 -18.226 -26.023 181 HB3 ASP 51 HB3 ASP 51 -15.138 -19.739 -25.365 182 H CYS 52 H CYS 52 -13.396 -19.136 -22.000 183 HA CYS 52 HA CYS 52 -12.583 -21.711 -21.369 184 HB2 CYS 52 HB2 CYS 52 -13.406 -19.493 -19.945 185 HB3 CYS 52 HB3 CYS 52 -14.647 -20.683 -19.568 186 H ALA 53 H ALA 53 -15.652 -20.568 -22.516 187 HA ALA 53 HA ALA 53 -17.277 -22.717 -21.695 188 HB1 ALA 53 HB1 ALA 53 -17.537 -20.394 -23.358 189 HB2 ALA 53 HB2 ALA 53 -18.287 -21.786 -24.139 190 HB3 ALA 53 HB3 ALA 53 -18.786 -21.312 -22.516 191 H SER 54 H SER 54 -14.950 -22.399 -24.236 192 HA SER 54 HA SER 54 -15.835 -24.358 -26.019 193 HB2 SER 54 HB2 SER 54 -13.001 -23.547 -25.327 194 HB3 SER 54 HB3 SER 54 -13.460 -24.508 -26.733 195 HG SER 54 HG SER 54 -13.571 -21.823 -26.370 196 H CYS 55 H CYS 55 -14.351 -24.630 -22.902 197 HA CYS 55 HA CYS 55 -13.209 -27.141 -22.973 198 HB2 CYS 55 HB2 CYS 55 -14.639 -25.639 -20.797 199 HB3 CYS 55 HB3 CYS 55 -13.999 -27.253 -20.509 200 H ARG 56 H ARG 56 -16.580 -26.257 -22.936 201 HA ARG 56 HA ARG 56 -17.790 -28.585 -22.081 202 HB2 ARG 56 HB2 ARG 56 -18.560 -26.416 -23.971 203 HB3 ARG 56 HB3 ARG 56 -19.538 -27.877 -23.961 204 HG2 ARG 56 HG2 ARG 56 -19.073 -27.025 -21.272 205 HG3 ARG 56 HG3 ARG 56 -19.696 -25.678 -22.227 206 HD2 ARG 56 HD2 ARG 56 -21.550 -26.869 -21.275 207 HD3 ARG 56 HD3 ARG 56 -21.528 -27.157 -23.014 208 HE ARG 56 HE ARG 56 -20.117 -29.198 -21.656 209 HH11 ARG 56 HH11 ARG 56 -23.342 -28.050 -22.288 210 HH12 ARG 56 HH12 ARG 56 -24.070 -29.614 -22.132 211 HH21 ARG 56 HH21 ARG 56 -21.064 -31.263 -21.448 212 HH22 ARG 56 HH22 ARG 56 -22.773 -31.441 -21.653 213 H ALA 57 H ALA 57 -16.199 -27.913 -25.113 214 HA ALA 57 HA ALA 57 -16.927 -30.598 -26.082 215 HB1 ALA 57 HB1 ALA 57 -17.647 -28.894 -27.609 216 HB2 ALA 57 HB2 ALA 57 -16.045 -28.156 -27.613 217 HB3 ALA 57 HB3 ALA 57 -16.283 -29.751 -28.328 218 H ARG 58 H ARG 58 -14.279 -28.417 -25.380 219 HA ARG 58 HA ARG 58 -12.396 -30.629 -25.879 220 HB2 ARG 58 HB2 ARG 58 -12.252 -27.745 -26.566 221 HB3 ARG 58 HB3 ARG 58 -10.767 -28.498 -26.003 222 HG2 ARG 58 HG2 ARG 58 -10.661 -29.943 -27.812 223 HG3 ARG 58 HG3 ARG 58 -12.377 -29.762 -28.182 224 HD2 ARG 58 HD2 ARG 58 -11.848 -27.335 -28.716 225 HD3 ARG 58 HD3 ARG 58 -10.149 -27.802 -28.661 226 HE ARG 58 HE ARG 58 -12.026 -28.360 -30.752 227 HH11 ARG 58 HH11 ARG 58 -9.118 -29.452 -29.181 228 HH12 ARG 58 HH12 ARG 58 -8.535 -30.311 -30.568 229 HH21 ARG 58 HH21 ARG 58 -11.270 -29.488 -32.585 230 HH22 ARG 58 HH22 ARG 58 -9.760 -30.330 -32.504 231 HA PRO 59 HA PRO 59 -12.339 -29.454 -21.367 232 HB2 PRO 59 HB2 PRO 59 -12.532 -32.001 -20.447 233 HB3 PRO 59 HB3 PRO 59 -13.944 -31.010 -20.836 234 HG2 PRO 59 HG2 PRO 59 -12.613 -33.135 -22.472 235 HG3 PRO 59 HG3 PRO 59 -14.342 -32.841 -22.213 236 HD2 PRO 59 HD2 PRO 59 -13.050 -32.051 -24.458 237 HD3 PRO 59 HD3 PRO 59 -14.417 -31.146 -23.774 238 H HIS 60 H HIS 60 -10.559 -31.520 -23.473 239 HA HIS 60 HA HIS 60 -8.331 -31.626 -21.550 240 HB2 HIS 60 HB2 HIS 60 -7.465 -33.457 -23.102 241 HB3 HIS 60 HB3 HIS 60 -8.886 -33.848 -22.138 242 HD1 HIS 60 HD1 HIS 60 -8.715 -32.026 -25.470 243 HD2 HIS 60 HD2 HIS 60 -10.305 -35.473 -23.781 244 HE1 HIS 60 HE1 HIS 60 -10.115 -33.075 -27.276 245 H SER 61 H SER 61 -8.546 -29.234 -22.673 246 HA SER 61 HA SER 61 -6.552 -29.229 -24.845 247 HB2 SER 61 HB2 SER 61 -9.020 -27.624 -24.416 248 HB3 SER 61 HB3 SER 61 -7.630 -26.787 -25.106 249 HG SER 61 HG SER 61 -8.656 -29.229 -26.117 250 H ASP 62 H ASP 62 -5.001 -27.508 -24.838 251 HA ASP 62 HA ASP 62 -3.793 -27.062 -22.359 252 HB2 ASP 62 HB2 ASP 62 -3.459 -25.741 -25.046 253 HB3 ASP 62 HB3 ASP 62 -2.501 -25.255 -23.650 254 H PHE 63 H PHE 63 -5.599 -24.766 -24.403 255 HA PHE 63 HA PHE 63 -5.519 -22.624 -22.589 256 HB2 PHE 63 HB2 PHE 63 -7.423 -21.714 -23.914 257 HB3 PHE 63 HB3 PHE 63 -6.072 -22.245 -24.911 258 HD1 PHE 63 HD1 PHE 63 -9.447 -23.168 -23.726 259 HD2 PHE 63 HD2 PHE 63 -6.345 -23.916 -26.542 260 HE1 PHE 63 HE1 PHE 63 -10.973 -24.598 -25.022 261 HE2 PHE 63 HE2 PHE 63 -7.866 -25.346 -27.844 262 HZ PHE 63 HZ PHE 63 -10.184 -25.688 -27.085 263 H CYS 64 H CYS 64 -7.538 -25.439 -22.767 264 HA CYS 64 HA CYS 64 -9.713 -24.530 -21.221 265 HB2 CYS 64 HB2 CYS 64 -9.670 -26.616 -22.619 266 HB3 CYS 64 HB3 CYS 64 -8.665 -27.361 -21.381 267 H LEU 65 H LEU 65 -6.895 -26.501 -20.272 268 HA LEU 65 HA LEU 65 -7.496 -26.373 -17.494 269 HB2 LEU 65 HB2 LEU 65 -5.050 -27.174 -19.043 270 HB3 LEU 65 HB3 LEU 65 -5.088 -27.181 -17.281 271 HG LEU 65 HG LEU 65 -6.982 -28.780 -18.995 272 HD11 LEU 65 HD11 LEU 65 -4.433 -29.298 -19.140 273 HD12 LEU 65 HD12 LEU 65 -5.588 -30.608 -18.899 274 HD13 LEU 65 HD13 LEU 65 -4.674 -29.977 -17.530 275 HD21 LEU 65 HD21 LEU 65 -7.041 -30.079 -16.758 276 HD22 LEU 65 HD22 LEU 65 -7.956 -28.577 -16.902 277 HD23 LEU 65 HD23 LEU 65 -6.403 -28.587 -16.065 278 H GLY 66 H GLY 66 -5.626 -24.402 -19.685 279 HA2 GLY 66 HA2 GLY 66 -4.204 -22.971 -17.649 280 HA3 GLY 66 HA3 GLY 66 -4.330 -22.523 -19.344 281 H CYS 67 H CYS 67 -7.289 -22.589 -19.235 282 HA CYS 67 HA CYS 67 -7.806 -19.906 -18.812 283 HB2 CYS 67 HB2 CYS 67 -9.338 -21.248 -20.090 284 HB3 CYS 67 HB3 CYS 67 -9.677 -22.276 -18.702 285 H ALA 68 H ALA 68 -9.263 -22.397 -16.735 286 HA ALA 68 HA ALA 68 -9.792 -20.676 -14.598 287 HB1 ALA 68 HB1 ALA 68 -9.616 -23.647 -14.865 288 HB2 ALA 68 HB2 ALA 68 -9.832 -22.914 -13.275 289 HB3 ALA 68 HB3 ALA 68 -11.021 -22.630 -14.546 290 H ALA 69 H ALA 69 -8.545 -19.806 -13.078 291 HA ALA 69 HA ALA 69 -6.058 -21.140 -12.303 292 HB1 ALA 69 HB1 ALA 69 -5.166 -18.608 -12.300 293 HB2 ALA 69 HB2 ALA 69 -4.957 -19.710 -13.662 294 HB3 ALA 69 HB3 ALA 69 -6.272 -18.534 -13.672 295 H ALA 70 H ALA 70 -7.148 -21.626 -10.351 296 HA ALA 70 HA ALA 70 -8.350 -19.643 -8.713 297 HB1 ALA 70 HB1 ALA 70 -7.701 -21.623 -6.967 298 HB2 ALA 70 HB2 ALA 70 -9.145 -21.609 -7.980 299 HB3 ALA 70 HB3 ALA 70 -7.712 -22.496 -8.500 Start of MODEL 12 1 H1 GLY 21 H1 GLY 21 6.648 6.279 -28.171 2 HA2 GLY 21 HA2 GLY 21 4.568 6.087 -26.335 3 HA3 GLY 21 HA3 GLY 21 6.244 5.686 -25.991 4 H SER 22 H SER 22 3.896 8.321 -26.039 5 HA SER 22 HA SER 22 5.506 9.670 -23.972 6 HB2 SER 22 HB2 SER 22 3.851 11.601 -25.196 7 HB3 SER 22 HB3 SER 22 5.606 11.469 -25.303 8 HG SER 22 HG SER 22 3.904 11.197 -27.254 9 H SER 23 H SER 23 4.322 10.860 -22.378 10 HA SER 23 HA SER 23 2.681 11.109 -20.822 11 HB2 SER 23 HB2 SER 23 1.473 12.067 -22.806 12 HB3 SER 23 HB3 SER 23 0.755 10.478 -23.069 13 HG SER 23 HG SER 23 -0.460 12.093 -21.758 14 H GLY 24 H GLY 24 3.732 8.957 -20.170 15 HA2 GLY 24 HA2 GLY 24 1.794 6.748 -20.343 16 HA3 GLY 24 HA3 GLY 24 3.496 6.576 -19.944 17 H SER 25 H SER 25 1.709 5.325 -18.364 18 HA SER 25 HA SER 25 2.173 6.597 -15.823 19 HB2 SER 25 HB2 SER 25 -0.530 5.994 -15.549 20 HB3 SER 25 HB3 SER 25 0.171 7.608 -15.669 21 HG SER 25 HG SER 25 -1.469 6.424 -17.367 22 H SER 26 H SER 26 1.103 5.185 -14.029 23 HA SER 26 HA SER 26 1.140 3.183 -12.947 24 HB2 SER 26 HB2 SER 26 0.335 1.720 -15.419 25 HB3 SER 26 HB3 SER 26 -0.292 1.582 -13.776 26 HG SER 26 HG SER 26 -1.613 3.238 -14.117 27 H GLY 27 H GLY 27 1.775 0.635 -13.569 28 HA2 GLY 27 HA2 GLY 27 4.419 0.798 -14.868 29 HA3 GLY 27 HA3 GLY 27 4.236 0.046 -13.290 30 H GLU 28 H GLU 28 2.600 -0.135 -16.458 31 HA GLU 28 HA GLU 28 3.045 -3.031 -16.442 32 HB2 GLU 28 HB2 GLU 28 0.372 -1.701 -16.919 33 HB3 GLU 28 HB3 GLU 28 0.710 -3.402 -17.206 34 HG2 GLU 28 HG2 GLU 28 0.019 -3.756 -15.131 35 HG3 GLU 28 HG3 GLU 28 1.533 -3.022 -14.606 36 H GLN 29 H GLN 29 3.638 -3.823 -18.370 37 HA GLN 29 HA GLN 29 3.449 -2.021 -20.692 38 HB2 GLN 29 HB2 GLN 29 5.662 -3.423 -19.561 39 HB3 GLN 29 HB3 GLN 29 5.345 -4.091 -21.157 40 HG2 GLN 29 HG2 GLN 29 5.279 -1.617 -21.910 41 HG3 GLN 29 HG3 GLN 29 6.123 -1.311 -20.393 42 HE21 GLN 29 HE21 GLN 29 8.237 -1.875 -20.189 43 HE22 GLN 29 HE22 GLN 29 9.193 -2.498 -21.486 44 H ALA 30 H ALA 30 2.902 -5.260 -19.505 45 HA ALA 30 HA ALA 30 1.104 -5.790 -21.700 46 HB1 ALA 30 HB1 ALA 30 2.494 -8.128 -21.829 47 HB2 ALA 30 HB2 ALA 30 2.662 -6.788 -22.964 48 HB3 ALA 30 HB3 ALA 30 3.791 -6.951 -21.619 49 HA PRO 31 HA PRO 31 -1.007 -8.200 -18.702 50 HB2 PRO 31 HB2 PRO 31 -2.069 -10.199 -20.201 51 HB3 PRO 31 HB3 PRO 31 -2.655 -8.532 -20.267 52 HG2 PRO 31 HG2 PRO 31 -0.788 -9.960 -22.122 53 HG3 PRO 31 HG3 PRO 31 -2.131 -8.868 -22.508 54 HD2 PRO 31 HD2 PRO 31 0.454 -8.062 -22.528 55 HD3 PRO 31 HD3 PRO 31 -0.881 -6.978 -22.087 56 H GLY 32 H GLY 32 1.352 -9.807 -20.722 57 HA2 GLY 32 HA2 GLY 32 2.997 -11.086 -19.284 58 HA3 GLY 32 HA3 GLY 32 1.582 -11.953 -18.707 59 H THR 33 H THR 33 0.664 -13.544 -19.961 60 HA THR 33 HA THR 33 1.816 -14.053 -22.604 61 HB THR 33 HB THR 33 2.328 -16.345 -22.153 62 HG1 THR 33 HG1 THR 33 1.703 -16.101 -19.420 63 HG21 THR 33 HG21 THR 33 4.132 -16.155 -20.555 64 HG22 THR 33 HG22 THR 33 3.401 -14.716 -19.847 65 HG23 THR 33 HG23 THR 33 4.033 -14.665 -21.493 66 H ALA 34 H ALA 34 -0.780 -13.111 -21.736 67 HA ALA 34 HA ALA 34 -2.415 -14.826 -23.303 68 HB1 ALA 34 HB1 ALA 34 -2.272 -16.053 -21.088 69 HB2 ALA 34 HB2 ALA 34 -3.216 -14.727 -20.408 70 HB3 ALA 34 HB3 ALA 34 -3.892 -15.718 -21.701 71 HA PRO 35 HA PRO 35 -3.667 -10.354 -22.809 72 HB2 PRO 35 HB2 PRO 35 -3.551 -9.764 -25.456 73 HB3 PRO 35 HB3 PRO 35 -2.154 -9.635 -24.381 74 HG2 PRO 35 HG2 PRO 35 -2.887 -11.830 -26.280 75 HG3 PRO 35 HG3 PRO 35 -1.302 -11.093 -25.981 76 HD2 PRO 35 HD2 PRO 35 -2.029 -13.470 -24.907 77 HD3 PRO 35 HD3 PRO 35 -0.942 -12.339 -24.076 78 H CYS 36 H CYS 36 -5.668 -11.591 -22.241 79 HA CYS 36 HA CYS 36 -7.596 -11.409 -24.453 80 HB2 CYS 36 HB2 CYS 36 -7.587 -13.591 -22.357 81 HB3 CYS 36 HB3 CYS 36 -8.725 -13.423 -23.691 82 H SER 37 H SER 37 -9.902 -11.965 -23.149 83 HA SER 37 HA SER 37 -10.041 -9.798 -21.165 84 HB2 SER 37 HB2 SER 37 -12.398 -10.921 -22.669 85 HB3 SER 37 HB3 SER 37 -12.253 -9.358 -21.867 86 HG SER 37 HG SER 37 -10.481 -9.938 -23.946 87 H ARG 38 H ARG 38 -12.443 -10.279 -20.000 88 HA ARG 38 HA ARG 38 -11.810 -12.308 -18.121 89 HB2 ARG 38 HB2 ARG 38 -13.835 -10.243 -18.444 90 HB3 ARG 38 HB3 ARG 38 -14.504 -11.722 -17.770 91 HG2 ARG 38 HG2 ARG 38 -13.880 -10.680 -15.852 92 HG3 ARG 38 HG3 ARG 38 -12.385 -11.549 -16.205 93 HD2 ARG 38 HD2 ARG 38 -12.988 -8.673 -16.884 94 HD3 ARG 38 HD3 ARG 38 -11.918 -9.239 -15.603 95 HE ARG 38 HE ARG 38 -11.304 -9.022 -18.387 96 HH11 ARG 38 HH11 ARG 38 -10.588 -10.772 -15.464 97 HH12 ARG 38 HH12 ARG 38 -8.998 -11.235 -15.976 98 HH21 ARG 38 HH21 ARG 38 -9.213 -9.625 -19.072 99 HH22 ARG 38 HH22 ARG 38 -8.217 -10.581 -18.028 100 H GLY 39 H GLY 39 -12.047 -14.422 -18.390 101 HA2 GLY 39 HA2 GLY 39 -13.269 -16.393 -18.732 102 HA3 GLY 39 HA3 GLY 39 -14.492 -15.460 -19.584 103 H SER 40 H SER 40 -10.990 -15.932 -20.056 104 HA SER 40 HA SER 40 -11.413 -17.358 -22.520 105 HB2 SER 40 HB2 SER 40 -9.899 -14.783 -22.820 106 HB3 SER 40 HB3 SER 40 -10.664 -15.775 -24.061 107 HG SER 40 HG SER 40 -11.692 -13.721 -22.630 108 H SER 41 H SER 41 -9.466 -18.217 -23.406 109 HA SER 41 HA SER 41 -7.071 -17.909 -21.736 110 HB2 SER 41 HB2 SER 41 -8.087 -19.912 -20.888 111 HB3 SER 41 HB3 SER 41 -8.384 -20.519 -22.516 112 HG SER 41 HG SER 41 -5.772 -19.963 -21.600 113 H TRP 42 H TRP 42 -5.253 -17.683 -22.875 114 HA TRP 42 HA TRP 42 -5.404 -17.865 -25.772 115 HB2 TRP 42 HB2 TRP 42 -4.386 -15.867 -24.977 116 HB3 TRP 42 HB3 TRP 42 -3.340 -16.755 -23.872 117 HD1 TRP 42 HD1 TRP 42 -1.205 -18.008 -24.945 118 HE1 TRP 42 HE1 TRP 42 0.084 -17.587 -27.133 119 HE3 TRP 42 HE3 TRP 42 -4.659 -15.133 -27.382 120 HZ2 TRP 42 HZ2 TRP 42 -0.311 -16.217 -29.569 121 HZ3 TRP 42 HZ3 TRP 42 -4.125 -14.306 -29.637 122 HH2 TRP 42 HH2 TRP 42 -1.996 -14.838 -30.706 123 H SER 43 H SER 43 -4.721 -19.562 -26.887 124 HA SER 43 HA SER 43 -3.019 -21.539 -25.539 125 HB2 SER 43 HB2 SER 43 -5.370 -21.936 -26.833 126 HB3 SER 43 HB3 SER 43 -4.233 -22.219 -28.150 127 HG SER 43 HG SER 43 -4.011 -23.454 -25.610 128 H ALA 44 H ALA 44 -1.003 -21.932 -26.205 129 HA ALA 44 HA ALA 44 0.172 -20.265 -28.220 130 HB1 ALA 44 HB1 ALA 44 1.628 -20.640 -26.473 131 HB2 ALA 44 HB2 ALA 44 1.197 -22.346 -26.339 132 HB3 ALA 44 HB3 ALA 44 2.207 -21.794 -27.675 133 H ASP 45 H ASP 45 -1.390 -23.267 -28.253 134 HA ASP 45 HA ASP 45 0.051 -24.583 -30.302 135 HB2 ASP 45 HB2 ASP 45 -2.483 -24.957 -28.878 136 HB3 ASP 45 HB3 ASP 45 -2.529 -25.514 -30.549 137 H LEU 46 H LEU 46 -3.081 -22.876 -30.454 138 HA LEU 46 HA LEU 46 -2.721 -22.577 -33.344 139 HB2 LEU 46 HB2 LEU 46 -5.074 -22.386 -31.504 140 HB3 LEU 46 HB3 LEU 46 -5.135 -21.663 -33.110 141 HG LEU 46 HG LEU 46 -4.498 -24.571 -32.676 142 HD11 LEU 46 HD11 LEU 46 -6.752 -25.147 -32.879 143 HD12 LEU 46 HD12 LEU 46 -7.216 -23.525 -33.391 144 HD13 LEU 46 HD13 LEU 46 -6.746 -23.820 -31.717 145 HD21 LEU 46 HD21 LEU 46 -5.655 -24.443 -35.063 146 HD22 LEU 46 HD22 LEU 46 -3.928 -24.163 -34.839 147 HD23 LEU 46 HD23 LEU 46 -5.030 -22.794 -34.991 148 H ASP 47 H ASP 47 -2.415 -20.830 -30.453 149 HA ASP 47 HA ASP 47 -1.856 -18.671 -30.002 150 HB2 ASP 47 HB2 ASP 47 -1.624 -18.083 -32.935 151 HB3 ASP 47 HB3 ASP 47 -0.667 -17.453 -31.597 152 H LYS 48 H LYS 48 -4.080 -18.421 -29.323 153 HA LYS 48 HA LYS 48 -5.303 -16.130 -30.407 154 HB2 LYS 48 HB2 LYS 48 -7.259 -16.972 -31.436 155 HB3 LYS 48 HB3 LYS 48 -5.929 -17.887 -32.134 156 HG2 LYS 48 HG2 LYS 48 -7.559 -18.902 -29.824 157 HG3 LYS 48 HG3 LYS 48 -7.991 -19.198 -31.510 158 HD2 LYS 48 HD2 LYS 48 -6.621 -20.951 -31.497 159 HD3 LYS 48 HD3 LYS 48 -5.266 -19.841 -31.278 160 HE2 LYS 48 HE2 LYS 48 -4.910 -20.712 -29.268 161 HE3 LYS 48 HE3 LYS 48 -6.500 -20.143 -28.759 162 HZ1 LYS 48 HZ1 LYS 48 -6.701 -22.371 -28.388 163 HZ2 LYS 48 HZ2 LYS 48 -5.681 -22.808 -29.666 164 HZ3 LYS 48 HZ3 LYS 48 -7.265 -22.306 -29.981 165 H CYS 49 H CYS 49 -7.281 -15.534 -29.262 166 HA CYS 49 HA CYS 49 -7.201 -16.498 -26.526 167 HB2 CYS 49 HB2 CYS 49 -8.520 -14.177 -27.907 168 HB3 CYS 49 HB3 CYS 49 -8.997 -14.638 -26.276 169 H MET 50 H MET 50 -8.195 -18.453 -26.386 170 HA MET 50 HA MET 50 -10.734 -18.932 -27.685 171 HB2 MET 50 HB2 MET 50 -8.982 -20.602 -25.888 172 HB3 MET 50 HB3 MET 50 -10.560 -21.147 -26.438 173 HG2 MET 50 HG2 MET 50 -8.458 -20.262 -28.377 174 HG3 MET 50 HG3 MET 50 -8.485 -21.901 -27.731 175 HE1 MET 50 HE1 MET 50 -10.510 -23.688 -30.113 176 HE2 MET 50 HE2 MET 50 -9.134 -23.556 -29.017 177 HE3 MET 50 HE3 MET 50 -10.769 -23.684 -28.367 178 H ASP 51 H ASP 51 -12.527 -19.932 -26.341 179 HA ASP 51 HA ASP 51 -12.935 -18.260 -23.958 180 HB2 ASP 51 HB2 ASP 51 -14.516 -18.322 -26.086 181 HB3 ASP 51 HB3 ASP 51 -15.184 -19.728 -25.262 182 H CYS 52 H CYS 52 -13.387 -19.140 -22.005 183 HA CYS 52 HA CYS 52 -12.578 -21.718 -21.385 184 HB2 CYS 52 HB2 CYS 52 -13.393 -19.504 -19.952 185 HB3 CYS 52 HB3 CYS 52 -14.637 -20.692 -19.577 186 H ALA 53 H ALA 53 -15.647 -20.567 -22.521 187 HA ALA 53 HA ALA 53 -17.277 -22.712 -21.704 188 HB1 ALA 53 HB1 ALA 53 -17.528 -20.825 -24.039 189 HB2 ALA 53 HB2 ALA 53 -18.779 -21.969 -23.551 190 HB3 ALA 53 HB3 ALA 53 -18.288 -20.679 -22.454 191 H SER 54 H SER 54 -14.949 -22.400 -24.246 192 HA SER 54 HA SER 54 -15.838 -24.359 -26.027 193 HB2 SER 54 HB2 SER 54 -13.055 -23.412 -25.333 194 HB3 SER 54 HB3 SER 54 -13.378 -24.564 -26.629 195 HG SER 54 HG SER 54 -13.351 -22.528 -27.522 196 H CYS 55 H CYS 55 -14.351 -24.631 -22.911 197 HA CYS 55 HA CYS 55 -13.215 -27.145 -22.981 198 HB2 CYS 55 HB2 CYS 55 -14.643 -25.641 -20.803 199 HB3 CYS 55 HB3 CYS 55 -13.999 -27.254 -20.516 200 H ARG 56 H ARG 56 -16.585 -26.253 -22.941 201 HA ARG 56 HA ARG 56 -17.798 -28.579 -22.083 202 HB2 ARG 56 HB2 ARG 56 -18.554 -26.335 -23.840 203 HB3 ARG 56 HB3 ARG 56 -19.477 -27.812 -24.081 204 HG2 ARG 56 HG2 ARG 56 -19.723 -27.747 -21.487 205 HG3 ARG 56 HG3 ARG 56 -19.329 -26.039 -21.692 206 HD2 ARG 56 HD2 ARG 56 -21.679 -26.153 -21.758 207 HD3 ARG 56 HD3 ARG 56 -21.169 -25.975 -23.437 208 HE ARG 56 HE ARG 56 -22.000 -28.066 -23.880 209 HH11 ARG 56 HH11 ARG 56 -21.790 -27.611 -20.435 210 HH12 ARG 56 HH12 ARG 56 -22.658 -29.063 -20.059 211 HH21 ARG 56 HH21 ARG 56 -23.143 -29.980 -23.398 212 HH22 ARG 56 HH22 ARG 56 -23.426 -30.410 -21.745 213 H ALA 57 H ALA 57 -16.194 -27.918 -25.106 214 HA ALA 57 HA ALA 57 -16.944 -30.593 -26.085 215 HB1 ALA 57 HB1 ALA 57 -17.028 -28.114 -27.371 216 HB2 ALA 57 HB2 ALA 57 -15.650 -28.963 -28.073 217 HB3 ALA 57 HB3 ALA 57 -17.250 -29.705 -28.098 218 H ARG 58 H ARG 58 -14.271 -28.433 -25.388 219 HA ARG 58 HA ARG 58 -12.414 -30.674 -25.853 220 HB2 ARG 58 HB2 ARG 58 -12.239 -27.805 -26.584 221 HB3 ARG 58 HB3 ARG 58 -10.763 -28.557 -25.993 222 HG2 ARG 58 HG2 ARG 58 -10.790 -30.170 -27.743 223 HG3 ARG 58 HG3 ARG 58 -12.408 -29.676 -28.247 224 HD2 ARG 58 HD2 ARG 58 -11.649 -27.869 -29.371 225 HD3 ARG 58 HD3 ARG 58 -10.376 -27.543 -28.195 226 HE ARG 58 HE ARG 58 -8.929 -28.793 -29.460 227 HH11 ARG 58 HH11 ARG 58 -12.193 -29.390 -30.514 228 HH12 ARG 58 HH12 ARG 58 -11.715 -30.298 -31.910 229 HH21 ARG 58 HH21 ARG 58 -8.287 -29.986 -31.295 230 HH22 ARG 58 HH22 ARG 58 -9.493 -30.637 -32.352 231 HA PRO 59 HA PRO 59 -12.353 -29.464 -21.356 232 HB2 PRO 59 HB2 PRO 59 -12.541 -32.005 -20.418 233 HB3 PRO 59 HB3 PRO 59 -13.954 -31.021 -20.815 234 HG2 PRO 59 HG2 PRO 59 -12.615 -33.153 -22.434 235 HG3 PRO 59 HG3 PRO 59 -14.345 -32.862 -22.180 236 HD2 PRO 59 HD2 PRO 59 -13.052 -32.084 -24.428 237 HD3 PRO 59 HD3 PRO 59 -14.422 -31.179 -23.753 238 H HIS 60 H HIS 60 -10.564 -31.539 -23.444 239 HA HIS 60 HA HIS 60 -8.338 -31.623 -21.516 240 HB2 HIS 60 HB2 HIS 60 -7.464 -33.467 -23.044 241 HB3 HIS 60 HB3 HIS 60 -8.894 -33.852 -22.090 242 HD1 HIS 60 HD1 HIS 60 -8.596 -32.124 -25.470 243 HD2 HIS 60 HD2 HIS 60 -10.395 -35.423 -23.697 244 HE1 HIS 60 HE1 HIS 60 -10.004 -33.171 -27.271 245 H SER 61 H SER 61 -8.585 -29.242 -22.686 246 HA SER 61 HA SER 61 -6.590 -29.250 -24.855 247 HB2 SER 61 HB2 SER 61 -9.057 -27.655 -24.423 248 HB3 SER 61 HB3 SER 61 -7.671 -26.797 -25.095 249 HG SER 61 HG SER 61 -7.652 -28.183 -26.817 250 H ASP 62 H ASP 62 -5.035 -27.530 -24.867 251 HA ASP 62 HA ASP 62 -3.802 -27.083 -22.402 252 HB2 ASP 62 HB2 ASP 62 -3.496 -25.703 -25.069 253 HB3 ASP 62 HB3 ASP 62 -2.483 -25.321 -23.679 254 H PHE 63 H PHE 63 -5.613 -24.777 -24.430 255 HA PHE 63 HA PHE 63 -5.518 -22.642 -22.608 256 HB2 PHE 63 HB2 PHE 63 -7.426 -21.722 -23.924 257 HB3 PHE 63 HB3 PHE 63 -6.076 -22.247 -24.925 258 HD1 PHE 63 HD1 PHE 63 -9.455 -23.166 -23.750 259 HD2 PHE 63 HD2 PHE 63 -6.346 -23.918 -26.559 260 HE1 PHE 63 HE1 PHE 63 -10.982 -24.588 -25.054 261 HE2 PHE 63 HE2 PHE 63 -7.868 -25.340 -27.868 262 HZ PHE 63 HZ PHE 63 -10.189 -25.677 -27.116 263 H CYS 64 H CYS 64 -7.549 -25.447 -22.791 264 HA CYS 64 HA CYS 64 -9.716 -24.536 -21.236 265 HB2 CYS 64 HB2 CYS 64 -9.685 -26.618 -22.640 266 HB3 CYS 64 HB3 CYS 64 -8.677 -27.370 -21.407 267 H LEU 65 H LEU 65 -6.888 -26.498 -20.304 268 HA LEU 65 HA LEU 65 -7.484 -26.388 -17.522 269 HB2 LEU 65 HB2 LEU 65 -4.910 -27.056 -18.942 270 HB3 LEU 65 HB3 LEU 65 -5.228 -27.328 -17.230 271 HG LEU 65 HG LEU 65 -6.940 -28.608 -19.331 272 HD11 LEU 65 HD11 LEU 65 -4.137 -29.154 -18.766 273 HD12 LEU 65 HD12 LEU 65 -5.159 -29.715 -20.089 274 HD13 LEU 65 HD13 LEU 65 -5.179 -30.559 -18.541 275 HD21 LEU 65 HD21 LEU 65 -6.977 -28.538 -16.545 276 HD22 LEU 65 HD22 LEU 65 -6.324 -30.124 -16.957 277 HD23 LEU 65 HD23 LEU 65 -7.889 -29.622 -17.596 278 H GLY 66 H GLY 66 -5.608 -24.412 -19.710 279 HA2 GLY 66 HA2 GLY 66 -4.191 -22.983 -17.672 280 HA3 GLY 66 HA3 GLY 66 -4.321 -22.528 -19.364 281 H CYS 67 H CYS 67 -7.280 -22.600 -19.249 282 HA CYS 67 HA CYS 67 -7.802 -19.921 -18.818 283 HB2 CYS 67 HB2 CYS 67 -9.335 -21.263 -20.094 284 HB3 CYS 67 HB3 CYS 67 -9.667 -22.295 -18.707 285 H ALA 68 H ALA 68 -9.247 -22.418 -16.742 286 HA ALA 68 HA ALA 68 -9.772 -20.704 -14.599 287 HB1 ALA 68 HB1 ALA 68 -11.002 -22.645 -14.516 288 HB2 ALA 68 HB2 ALA 68 -9.616 -23.668 -14.897 289 HB3 ALA 68 HB3 ALA 68 -9.777 -22.964 -13.288 290 H ALA 69 H ALA 69 -8.603 -19.976 -12.923 291 HA ALA 69 HA ALA 69 -6.326 -21.275 -11.858 292 HB1 ALA 69 HB1 ALA 69 -5.606 -18.760 -13.329 293 HB2 ALA 69 HB2 ALA 69 -4.538 -19.982 -12.637 294 HB3 ALA 69 HB3 ALA 69 -5.477 -20.349 -14.084 295 H ALA 70 H ALA 70 -6.878 -20.842 -9.810 296 HA ALA 70 HA ALA 70 -6.998 -18.026 -8.998 297 HB1 ALA 70 HB1 ALA 70 -8.885 -18.514 -7.486 298 HB2 ALA 70 HB2 ALA 70 -9.308 -18.710 -9.187 299 HB3 ALA 70 HB3 ALA 70 -9.001 -20.129 -8.186 Start of MODEL 13 1 H1 GLY 21 H1 GLY 21 8.491 5.317 -19.099 2 HA2 GLY 21 HA2 GLY 21 6.215 5.693 -19.225 3 HA3 GLY 21 HA3 GLY 21 6.733 7.360 -19.429 4 H SER 22 H SER 22 8.007 6.918 -21.991 5 HA SER 22 HA SER 22 5.896 5.990 -23.752 6 HB2 SER 22 HB2 SER 22 5.380 8.408 -23.154 7 HB3 SER 22 HB3 SER 22 6.858 8.842 -24.012 8 HG SER 22 HG SER 22 4.483 8.466 -25.045 9 H SER 23 H SER 23 7.757 4.510 -24.056 10 HA SER 23 HA SER 23 9.695 5.637 -25.971 11 HB2 SER 23 HB2 SER 23 10.246 3.143 -24.387 12 HB3 SER 23 HB3 SER 23 11.389 4.249 -25.148 13 HG SER 23 HG SER 23 9.732 5.193 -23.092 14 H GLY 24 H GLY 24 7.629 2.908 -25.144 15 HA2 GLY 24 HA2 GLY 24 7.555 2.184 -27.981 16 HA3 GLY 24 HA3 GLY 24 8.034 0.940 -26.836 17 H SER 25 H SER 25 6.374 1.170 -24.772 18 HA SER 25 HA SER 25 3.656 1.629 -25.447 19 HB2 SER 25 HB2 SER 25 2.815 -0.533 -25.773 20 HB3 SER 25 HB3 SER 25 4.306 -0.542 -26.716 21 HG SER 25 HG SER 25 5.273 -1.418 -24.693 22 H SER 26 H SER 26 2.177 0.600 -23.731 23 HA SER 26 HA SER 26 3.108 1.397 -21.190 24 HB2 SER 26 HB2 SER 26 0.622 0.271 -22.307 25 HB3 SER 26 HB3 SER 26 0.903 -0.101 -20.606 26 HG SER 26 HG SER 26 -0.217 1.860 -20.829 27 H GLY 27 H GLY 27 4.820 0.296 -20.378 28 HA2 GLY 27 HA2 GLY 27 4.623 -2.640 -20.235 29 HA3 GLY 27 HA3 GLY 27 6.114 -1.718 -20.112 30 H GLU 28 H GLU 28 3.009 -1.288 -18.441 31 HA GLU 28 HA GLU 28 4.363 -0.987 -15.922 32 HB2 GLU 28 HB2 GLU 28 1.493 -0.881 -16.800 33 HB3 GLU 28 HB3 GLU 28 1.902 -0.920 -15.091 34 HG2 GLU 28 HG2 GLU 28 3.324 1.076 -16.734 35 HG3 GLU 28 HG3 GLU 28 1.599 1.339 -16.487 36 H GLN 29 H GLN 29 1.592 -3.071 -16.742 37 HA GLN 29 HA GLN 29 2.883 -5.236 -15.220 38 HB2 GLN 29 HB2 GLN 29 0.228 -4.006 -14.877 39 HB3 GLN 29 HB3 GLN 29 0.230 -5.764 -14.889 40 HG2 GLN 29 HG2 GLN 29 0.413 -5.015 -12.632 41 HG3 GLN 29 HG3 GLN 29 1.951 -5.730 -13.112 42 HE21 GLN 29 HE21 GLN 29 0.432 -2.535 -13.434 43 HE22 GLN 29 HE22 GLN 29 1.772 -1.646 -12.803 44 H ALA 30 H ALA 30 0.420 -4.443 -17.651 45 HA ALA 30 HA ALA 30 -0.254 -5.516 -19.542 46 HB1 ALA 30 HB1 ALA 30 1.535 -5.972 -20.769 47 HB2 ALA 30 HB2 ALA 30 2.529 -6.049 -19.314 48 HB3 ALA 30 HB3 ALA 30 1.732 -7.503 -19.915 49 HA PRO 31 HA PRO 31 -2.420 -9.149 -18.375 50 HB2 PRO 31 HB2 PRO 31 -2.739 -10.427 -20.748 51 HB3 PRO 31 HB3 PRO 31 -3.614 -8.950 -20.328 52 HG2 PRO 31 HG2 PRO 31 -1.163 -9.286 -22.014 53 HG3 PRO 31 HG3 PRO 31 -2.585 -8.266 -22.298 54 HD2 PRO 31 HD2 PRO 31 -0.261 -7.283 -21.316 55 HD3 PRO 31 HD3 PRO 31 -1.844 -6.616 -20.869 56 H GLY 32 H GLY 32 0.583 -9.517 -20.117 57 HA2 GLY 32 HA2 GLY 32 2.283 -11.014 -19.389 58 HA3 GLY 32 HA3 GLY 32 1.040 -12.042 -18.692 59 H THR 33 H THR 33 1.296 -13.953 -19.671 60 HA THR 33 HA THR 33 1.765 -14.046 -22.554 61 HB THR 33 HB THR 33 2.173 -16.446 -22.235 62 HG1 THR 33 HG1 THR 33 2.172 -17.252 -20.059 63 HG21 THR 33 HG21 THR 33 4.196 -16.270 -20.841 64 HG22 THR 33 HG22 THR 33 3.646 -14.700 -20.258 65 HG23 THR 33 HG23 THR 33 4.049 -14.916 -21.961 66 H ALA 34 H ALA 34 -0.780 -13.145 -21.784 67 HA ALA 34 HA ALA 34 -2.430 -14.851 -23.323 68 HB1 ALA 34 HB1 ALA 34 -4.069 -15.163 -21.270 69 HB2 ALA 34 HB2 ALA 34 -2.802 -16.335 -21.634 70 HB3 ALA 34 HB3 ALA 34 -2.553 -15.131 -20.369 71 HA PRO 35 HA PRO 35 -3.668 -10.380 -22.783 72 HB2 PRO 35 HB2 PRO 35 -3.555 -9.765 -25.425 73 HB3 PRO 35 HB3 PRO 35 -2.156 -9.650 -24.351 74 HG2 PRO 35 HG2 PRO 35 -2.898 -11.825 -26.270 75 HG3 PRO 35 HG3 PRO 35 -1.310 -11.095 -25.966 76 HD2 PRO 35 HD2 PRO 35 -2.043 -13.480 -24.915 77 HD3 PRO 35 HD3 PRO 35 -0.951 -12.361 -24.074 78 H CYS 36 H CYS 36 -5.672 -11.618 -22.225 79 HA CYS 36 HA CYS 36 -7.604 -11.405 -24.431 80 HB2 CYS 36 HB2 CYS 36 -7.609 -13.612 -22.363 81 HB3 CYS 36 HB3 CYS 36 -8.731 -13.427 -23.708 82 H SER 37 H SER 37 -9.905 -11.987 -23.118 83 HA SER 37 HA SER 37 -10.034 -9.850 -21.098 84 HB2 SER 37 HB2 SER 37 -12.641 -10.504 -21.988 85 HB3 SER 37 HB3 SER 37 -11.725 -9.034 -22.318 86 HG SER 37 HG SER 37 -12.316 -10.035 -24.255 87 H ARG 38 H ARG 38 -12.331 -10.274 -19.842 88 HA ARG 38 HA ARG 38 -11.755 -12.378 -18.056 89 HB2 ARG 38 HB2 ARG 38 -13.352 -10.147 -17.995 90 HB3 ARG 38 HB3 ARG 38 -14.537 -11.445 -18.066 91 HG2 ARG 38 HG2 ARG 38 -14.182 -12.017 -15.947 92 HG3 ARG 38 HG3 ARG 38 -12.429 -11.982 -16.147 93 HD2 ARG 38 HD2 ARG 38 -14.209 -9.588 -15.698 94 HD3 ARG 38 HD3 ARG 38 -13.179 -10.349 -14.486 95 HE ARG 38 HE ARG 38 -11.529 -9.677 -16.597 96 HH11 ARG 38 HH11 ARG 38 -13.613 -8.021 -14.352 97 HH12 ARG 38 HH12 ARG 38 -12.681 -6.561 -14.362 98 HH21 ARG 38 HH21 ARG 38 -10.293 -7.759 -16.618 99 HH22 ARG 38 HH22 ARG 38 -10.793 -6.413 -15.652 100 H GLY 39 H GLY 39 -12.016 -14.480 -18.393 101 HA2 GLY 39 HA2 GLY 39 -13.304 -16.415 -18.748 102 HA3 GLY 39 HA3 GLY 39 -14.493 -15.440 -19.600 103 H SER 40 H SER 40 -10.996 -15.935 -20.061 104 HA SER 40 HA SER 40 -11.413 -17.358 -22.528 105 HB2 SER 40 HB2 SER 40 -9.903 -14.781 -22.821 106 HB3 SER 40 HB3 SER 40 -10.666 -15.772 -24.065 107 HG SER 40 HG SER 40 -11.714 -13.753 -22.552 108 H SER 41 H SER 41 -9.466 -18.218 -23.408 109 HA SER 41 HA SER 41 -7.072 -17.906 -21.738 110 HB2 SER 41 HB2 SER 41 -8.082 -19.909 -20.888 111 HB3 SER 41 HB3 SER 41 -8.386 -20.516 -22.515 112 HG SER 41 HG SER 41 -6.320 -21.046 -21.064 113 H TRP 42 H TRP 42 -5.252 -17.682 -22.875 114 HA TRP 42 HA TRP 42 -5.402 -17.862 -25.772 115 HB2 TRP 42 HB2 TRP 42 -4.383 -15.866 -24.976 116 HB3 TRP 42 HB3 TRP 42 -3.339 -16.754 -23.870 117 HD1 TRP 42 HD1 TRP 42 -1.204 -18.010 -24.943 118 HE1 TRP 42 HE1 TRP 42 0.087 -17.589 -27.130 119 HE3 TRP 42 HE3 TRP 42 -4.653 -15.129 -27.380 120 HZ2 TRP 42 HZ2 TRP 42 -0.305 -16.216 -29.565 121 HZ3 TRP 42 HZ3 TRP 42 -4.117 -14.301 -29.634 122 HH2 TRP 42 HH2 TRP 42 -1.987 -14.834 -30.702 123 H SER 43 H SER 43 -4.719 -19.559 -26.888 124 HA SER 43 HA SER 43 -3.020 -21.538 -25.540 125 HB2 SER 43 HB2 SER 43 -5.369 -21.932 -26.837 126 HB3 SER 43 HB3 SER 43 -4.230 -22.216 -28.153 127 HG SER 43 HG SER 43 -4.373 -23.543 -25.655 128 H ALA 44 H ALA 44 -1.003 -21.931 -26.203 129 HA ALA 44 HA ALA 44 0.176 -20.264 -28.216 130 HB1 ALA 44 HB1 ALA 44 2.209 -21.796 -27.670 131 HB2 ALA 44 HB2 ALA 44 1.631 -20.642 -26.467 132 HB3 ALA 44 HB3 ALA 44 1.197 -22.346 -26.335 133 H ASP 45 H ASP 45 -1.389 -23.264 -28.253 134 HA ASP 45 HA ASP 45 0.054 -24.580 -30.302 135 HB2 ASP 45 HB2 ASP 45 -2.482 -24.954 -28.881 136 HB3 ASP 45 HB3 ASP 45 -2.526 -25.509 -30.552 137 H LEU 46 H LEU 46 -3.077 -22.871 -30.455 138 HA LEU 46 HA LEU 46 -2.715 -22.570 -33.345 139 HB2 LEU 46 HB2 LEU 46 -5.069 -22.379 -31.507 140 HB3 LEU 46 HB3 LEU 46 -5.128 -21.656 -33.113 141 HG LEU 46 HG LEU 46 -4.492 -24.564 -32.679 142 HD11 LEU 46 HD11 LEU 46 -6.741 -23.812 -31.722 143 HD12 LEU 46 HD12 LEU 46 -6.746 -25.140 -32.883 144 HD13 LEU 46 HD13 LEU 46 -7.210 -23.518 -33.397 145 HD21 LEU 46 HD21 LEU 46 -5.029 -22.787 -34.994 146 HD22 LEU 46 HD22 LEU 46 -5.645 -24.438 -35.066 147 HD23 LEU 46 HD23 LEU 46 -3.919 -24.151 -34.843 148 H ASP 47 H ASP 47 -2.410 -20.826 -30.452 149 HA ASP 47 HA ASP 47 -1.851 -18.667 -29.999 150 HB2 ASP 47 HB2 ASP 47 -1.590 -18.217 -32.970 151 HB3 ASP 47 HB3 ASP 47 -0.761 -17.370 -31.667 152 H LYS 48 H LYS 48 -4.075 -18.417 -29.321 153 HA LYS 48 HA LYS 48 -5.297 -16.125 -30.404 154 HB2 LYS 48 HB2 LYS 48 -7.251 -16.965 -31.436 155 HB3 LYS 48 HB3 LYS 48 -5.921 -17.880 -32.133 156 HG2 LYS 48 HG2 LYS 48 -7.553 -18.896 -29.826 157 HG3 LYS 48 HG3 LYS 48 -7.984 -19.190 -31.512 158 HD2 LYS 48 HD2 LYS 48 -6.616 -20.943 -31.500 159 HD3 LYS 48 HD3 LYS 48 -5.260 -19.835 -31.279 160 HE2 LYS 48 HE2 LYS 48 -4.906 -20.708 -29.269 161 HE3 LYS 48 HE3 LYS 48 -6.496 -20.139 -28.761 162 HZ1 LYS 48 HZ1 LYS 48 -7.267 -22.298 -29.980 163 HZ2 LYS 48 HZ2 LYS 48 -6.691 -22.368 -28.390 164 HZ3 LYS 48 HZ3 LYS 48 -5.681 -22.803 -29.675 165 H CYS 49 H CYS 49 -7.275 -15.529 -29.260 166 HA CYS 49 HA CYS 49 -7.198 -16.495 -26.526 167 HB2 CYS 49 HB2 CYS 49 -8.517 -14.174 -27.905 168 HB3 CYS 49 HB3 CYS 49 -8.993 -14.635 -26.274 169 H MET 50 H MET 50 -8.192 -18.449 -26.386 170 HA MET 50 HA MET 50 -10.730 -18.927 -27.688 171 HB2 MET 50 HB2 MET 50 -8.979 -20.599 -25.891 172 HB3 MET 50 HB3 MET 50 -10.557 -21.144 -26.443 173 HG2 MET 50 HG2 MET 50 -8.454 -20.257 -28.379 174 HG3 MET 50 HG3 MET 50 -8.481 -21.897 -27.735 175 HE1 MET 50 HE1 MET 50 -10.506 -23.682 -30.118 176 HE2 MET 50 HE2 MET 50 -9.128 -23.551 -29.025 177 HE3 MET 50 HE3 MET 50 -10.761 -23.679 -28.372 178 H ASP 51 H ASP 51 -12.524 -19.928 -26.346 179 HA ASP 51 HA ASP 51 -12.934 -18.258 -23.962 180 HB2 ASP 51 HB2 ASP 51 -14.514 -18.341 -26.103 181 HB3 ASP 51 HB3 ASP 51 -15.191 -19.723 -25.245 182 H CYS 52 H CYS 52 -13.392 -19.139 -22.011 183 HA CYS 52 HA CYS 52 -12.579 -21.715 -21.388 184 HB2 CYS 52 HB2 CYS 52 -13.410 -19.503 -19.958 185 HB3 CYS 52 HB3 CYS 52 -14.649 -20.698 -19.588 186 H ALA 53 H ALA 53 -15.652 -20.570 -22.526 187 HA ALA 53 HA ALA 53 -17.279 -22.717 -21.719 188 HB1 ALA 53 HB1 ALA 53 -18.716 -21.990 -23.682 189 HB2 ALA 53 HB2 ALA 53 -18.372 -20.768 -22.458 190 HB3 ALA 53 HB3 ALA 53 -17.493 -20.757 -23.986 191 H SER 54 H SER 54 -14.935 -22.412 -24.247 192 HA SER 54 HA SER 54 -15.808 -24.377 -26.028 193 HB2 SER 54 HB2 SER 54 -12.975 -23.580 -25.316 194 HB3 SER 54 HB3 SER 54 -13.434 -24.529 -26.730 195 HG SER 54 HG SER 54 -14.328 -22.789 -27.636 196 H CYS 55 H CYS 55 -14.353 -24.640 -22.897 197 HA CYS 55 HA CYS 55 -13.221 -27.160 -22.957 198 HB2 CYS 55 HB2 CYS 55 -14.640 -25.636 -20.787 199 HB3 CYS 55 HB3 CYS 55 -14.008 -27.252 -20.492 200 H ARG 56 H ARG 56 -16.582 -26.249 -22.950 201 HA ARG 56 HA ARG 56 -17.820 -28.552 -22.068 202 HB2 ARG 56 HB2 ARG 56 -19.760 -27.839 -23.234 203 HB3 ARG 56 HB3 ARG 56 -18.910 -26.375 -22.757 204 HG2 ARG 56 HG2 ARG 56 -17.967 -26.215 -25.028 205 HG3 ARG 56 HG3 ARG 56 -18.906 -27.637 -25.490 206 HD2 ARG 56 HD2 ARG 56 -20.958 -26.496 -25.164 207 HD3 ARG 56 HD3 ARG 56 -20.159 -25.152 -24.349 208 HE ARG 56 HE ARG 56 -19.177 -25.439 -26.988 209 HH11 ARG 56 HH11 ARG 56 -21.952 -24.336 -25.198 210 HH12 ARG 56 HH12 ARG 56 -22.437 -23.191 -26.404 211 HH21 ARG 56 HH21 ARG 56 -19.806 -23.935 -28.583 212 HH22 ARG 56 HH22 ARG 56 -21.216 -22.964 -28.329 213 H ALA 57 H ALA 57 -16.220 -27.935 -25.111 214 HA ALA 57 HA ALA 57 -16.949 -30.636 -26.030 215 HB1 ALA 57 HB1 ALA 57 -15.800 -29.365 -28.190 216 HB2 ALA 57 HB2 ALA 57 -17.529 -29.565 -27.898 217 HB3 ALA 57 HB3 ALA 57 -16.715 -28.083 -27.397 218 H ARG 58 H ARG 58 -14.295 -28.431 -25.407 219 HA ARG 58 HA ARG 58 -12.412 -30.651 -25.870 220 HB2 ARG 58 HB2 ARG 58 -12.272 -27.769 -26.568 221 HB3 ARG 58 HB3 ARG 58 -10.786 -28.520 -26.003 222 HG2 ARG 58 HG2 ARG 58 -10.588 -29.846 -27.842 223 HG3 ARG 58 HG3 ARG 58 -12.331 -29.920 -28.112 224 HD2 ARG 58 HD2 ARG 58 -11.843 -27.276 -28.501 225 HD3 ARG 58 HD3 ARG 58 -10.342 -27.991 -29.088 226 HE ARG 58 HE ARG 58 -12.932 -28.145 -30.318 227 HH11 ARG 58 HH11 ARG 58 -9.823 -29.678 -30.002 228 HH12 ARG 58 HH12 ARG 58 -9.927 -30.500 -31.524 229 HH21 ARG 58 HH21 ARG 58 -13.081 -29.221 -32.324 230 HH22 ARG 58 HH22 ARG 58 -11.781 -30.238 -32.844 231 HA PRO 59 HA PRO 59 -12.358 -29.459 -21.363 232 HB2 PRO 59 HB2 PRO 59 -12.549 -32.003 -20.434 233 HB3 PRO 59 HB3 PRO 59 -13.961 -31.014 -20.826 234 HG2 PRO 59 HG2 PRO 59 -12.628 -33.144 -22.454 235 HG3 PRO 59 HG3 PRO 59 -14.358 -32.851 -22.196 236 HD2 PRO 59 HD2 PRO 59 -13.066 -32.068 -24.444 237 HD3 PRO 59 HD3 PRO 59 -14.433 -31.162 -23.763 238 H HIS 60 H HIS 60 -10.575 -31.531 -23.461 239 HA HIS 60 HA HIS 60 -8.346 -31.623 -21.538 240 HB2 HIS 60 HB2 HIS 60 -7.481 -33.466 -23.079 241 HB3 HIS 60 HB3 HIS 60 -8.897 -33.851 -22.105 242 HD1 HIS 60 HD1 HIS 60 -8.627 -32.140 -25.498 243 HD2 HIS 60 HD2 HIS 60 -10.439 -35.409 -23.683 244 HE1 HIS 60 HE1 HIS 60 -10.065 -33.186 -27.277 245 H SER 61 H SER 61 -8.553 -29.241 -22.670 246 HA SER 61 HA SER 61 -6.570 -29.252 -24.852 247 HB2 SER 61 HB2 SER 61 -9.030 -27.639 -24.420 248 HB3 SER 61 HB3 SER 61 -7.641 -26.808 -25.120 249 HG SER 61 HG SER 61 -7.716 -28.107 -26.857 250 H ASP 62 H ASP 62 -5.025 -27.518 -24.866 251 HA ASP 62 HA ASP 62 -3.795 -27.071 -22.397 252 HB2 ASP 62 HB2 ASP 62 -3.486 -25.720 -25.076 253 HB3 ASP 62 HB3 ASP 62 -2.495 -25.287 -23.686 254 H PHE 63 H PHE 63 -5.606 -24.770 -24.432 255 HA PHE 63 HA PHE 63 -5.519 -22.633 -22.611 256 HB2 PHE 63 HB2 PHE 63 -7.424 -21.717 -23.932 257 HB3 PHE 63 HB3 PHE 63 -6.073 -22.244 -24.931 258 HD1 PHE 63 HD1 PHE 63 -9.449 -23.170 -23.750 259 HD2 PHE 63 HD2 PHE 63 -6.346 -23.908 -26.569 260 HE1 PHE 63 HE1 PHE 63 -10.976 -24.593 -25.052 261 HE2 PHE 63 HE2 PHE 63 -7.868 -25.332 -27.876 262 HZ PHE 63 HZ PHE 63 -10.186 -25.677 -27.118 263 H CYS 64 H CYS 64 -7.544 -25.443 -22.796 264 HA CYS 64 HA CYS 64 -9.715 -24.533 -21.244 265 HB2 CYS 64 HB2 CYS 64 -9.690 -26.611 -22.649 266 HB3 CYS 64 HB3 CYS 64 -8.672 -27.365 -21.426 267 H LEU 65 H LEU 65 -6.885 -26.492 -20.312 268 HA LEU 65 HA LEU 65 -7.486 -26.385 -17.531 269 HB2 LEU 65 HB2 LEU 65 -4.906 -27.052 -18.942 270 HB3 LEU 65 HB3 LEU 65 -5.237 -27.333 -17.234 271 HG LEU 65 HG LEU 65 -7.074 -28.582 -19.202 272 HD11 LEU 65 HD11 LEU 65 -5.274 -29.344 -20.361 273 HD12 LEU 65 HD12 LEU 65 -5.292 -30.544 -19.070 274 HD13 LEU 65 HD13 LEU 65 -4.177 -29.180 -18.990 275 HD21 LEU 65 HD21 LEU 65 -7.713 -29.595 -17.336 276 HD22 LEU 65 HD22 LEU 65 -6.433 -28.787 -16.431 277 HD23 LEU 65 HD23 LEU 65 -6.119 -30.340 -17.206 278 H GLY 66 H GLY 66 -5.621 -24.402 -19.716 279 HA2 GLY 66 HA2 GLY 66 -4.198 -22.978 -17.676 280 HA3 GLY 66 HA3 GLY 66 -4.328 -22.522 -19.368 281 H CYS 67 H CYS 67 -7.286 -22.592 -19.257 282 HA CYS 67 HA CYS 67 -7.807 -19.913 -18.822 283 HB2 CYS 67 HB2 CYS 67 -9.339 -21.251 -20.103 284 HB3 CYS 67 HB3 CYS 67 -9.674 -22.286 -18.719 285 H ALA 68 H ALA 68 -9.256 -22.414 -16.753 286 HA ALA 68 HA ALA 68 -9.785 -20.704 -14.608 287 HB1 ALA 68 HB1 ALA 68 -9.592 -23.677 -14.874 288 HB2 ALA 68 HB2 ALA 68 -9.835 -22.936 -13.292 289 HB3 ALA 68 HB3 ALA 68 -11.009 -22.668 -14.580 290 H ALA 69 H ALA 69 -8.642 -20.026 -12.883 291 HA ALA 69 HA ALA 69 -6.349 -21.317 -11.850 292 HB1 ALA 69 HB1 ALA 69 -5.845 -18.943 -13.634 293 HB2 ALA 69 HB2 ALA 69 -4.675 -19.571 -12.473 294 HB3 ALA 69 HB3 ALA 69 -5.213 -20.579 -13.816 295 H ALA 70 H ALA 70 -6.199 -20.734 -9.784 296 HA ALA 70 HA ALA 70 -7.607 -18.326 -8.905 297 HB1 ALA 70 HB1 ALA 70 -6.565 -20.708 -7.380 298 HB2 ALA 70 HB2 ALA 70 -7.340 -19.311 -6.632 299 HB3 ALA 70 HB3 ALA 70 -8.246 -20.326 -7.755 Start of MODEL 14 1 H1 GLY 21 H1 GLY 21 15.451 -19.454 -26.386 2 HA2 GLY 21 HA2 GLY 21 15.231 -20.052 -28.632 3 HA3 GLY 21 HA3 GLY 21 13.557 -19.694 -28.235 4 H SER 22 H SER 22 13.380 -17.046 -28.126 5 HA SER 22 HA SER 22 14.649 -15.920 -30.502 6 HB2 SER 22 HB2 SER 22 12.633 -16.861 -31.429 7 HB3 SER 22 HB3 SER 22 11.656 -16.164 -30.137 8 HG SER 22 HG SER 22 11.474 -14.485 -31.369 9 H SER 23 H SER 23 11.902 -15.044 -28.407 10 HA SER 23 HA SER 23 13.411 -12.654 -27.577 11 HB2 SER 23 HB2 SER 23 10.678 -12.878 -28.725 12 HB3 SER 23 HB3 SER 23 10.901 -11.722 -27.412 13 HG SER 23 HG SER 23 11.310 -11.067 -29.739 14 H GLY 24 H GLY 24 13.912 -12.997 -25.505 15 HA2 GLY 24 HA2 GLY 24 12.023 -14.398 -23.767 16 HA3 GLY 24 HA3 GLY 24 13.694 -14.010 -23.385 17 H SER 25 H SER 25 11.168 -13.556 -21.886 18 HA SER 25 HA SER 25 10.223 -11.968 -20.559 19 HB2 SER 25 HB2 SER 25 12.581 -10.177 -21.075 20 HB3 SER 25 HB3 SER 25 11.659 -10.395 -19.588 21 HG SER 25 HG SER 25 13.856 -11.708 -20.441 22 H SER 26 H SER 26 9.984 -9.321 -20.524 23 HA SER 26 HA SER 26 9.756 -8.056 -23.045 24 HB2 SER 26 HB2 SER 26 7.906 -9.760 -23.216 25 HB3 SER 26 HB3 SER 26 7.116 -8.944 -21.866 26 HG SER 26 HG SER 26 7.395 -8.154 -24.507 27 H GLY 27 H GLY 27 9.702 -5.917 -22.723 28 HA2 GLY 27 HA2 GLY 27 9.138 -4.976 -19.997 29 HA3 GLY 27 HA3 GLY 27 10.091 -4.121 -21.200 30 H GLU 28 H GLU 28 6.838 -4.979 -20.195 31 HA GLU 28 HA GLU 28 5.838 -2.507 -21.315 32 HB2 GLU 28 HB2 GLU 28 5.553 -4.949 -22.757 33 HB3 GLU 28 HB3 GLU 28 3.968 -4.485 -22.156 34 HG2 GLU 28 HG2 GLU 28 4.121 -2.349 -23.236 35 HG3 GLU 28 HG3 GLU 28 5.786 -2.667 -23.717 36 H GLN 29 H GLN 29 3.456 -2.247 -20.792 37 HA GLN 29 HA GLN 29 3.057 -3.093 -18.040 38 HB2 GLN 29 HB2 GLN 29 1.476 -1.184 -19.772 39 HB3 GLN 29 HB3 GLN 29 1.183 -1.479 -18.063 40 HG2 GLN 29 HG2 GLN 29 2.488 0.306 -17.760 41 HG3 GLN 29 HG3 GLN 29 3.810 -0.828 -18.028 42 HE21 GLN 29 HE21 GLN 29 3.197 2.131 -18.650 43 HE22 GLN 29 HE22 GLN 29 3.729 2.303 -20.285 44 H ALA 30 H ALA 30 1.422 -3.348 -21.170 45 HA ALA 30 HA ALA 30 -0.865 -4.713 -20.272 46 HB1 ALA 30 HB1 ALA 30 -0.046 -3.694 -22.660 47 HB2 ALA 30 HB2 ALA 30 0.052 -5.430 -22.959 48 HB3 ALA 30 HB3 ALA 30 -1.469 -4.711 -22.430 49 HA PRO 31 HA PRO 31 0.411 -8.849 -19.554 50 HB2 PRO 31 HB2 PRO 31 -1.632 -10.285 -20.620 51 HB3 PRO 31 HB3 PRO 31 -1.789 -9.354 -19.126 52 HG2 PRO 31 HG2 PRO 31 -2.632 -8.631 -21.906 53 HG3 PRO 31 HG3 PRO 31 -3.503 -8.404 -20.378 54 HD2 PRO 31 HD2 PRO 31 -2.157 -6.397 -21.600 55 HD3 PRO 31 HD3 PRO 31 -2.311 -6.508 -19.835 56 H GLY 32 H GLY 32 2.140 -9.621 -20.617 57 HA2 GLY 32 HA2 GLY 32 1.957 -10.056 -23.515 58 HA3 GLY 32 HA3 GLY 32 3.442 -9.989 -22.577 59 H THR 33 H THR 33 0.670 -11.855 -21.559 60 HA THR 33 HA THR 33 2.042 -14.327 -22.373 61 HB THR 33 HB THR 33 1.177 -15.315 -20.168 62 HG1 THR 33 HG1 THR 33 -0.083 -13.759 -19.302 63 HG21 THR 33 HG21 THR 33 3.318 -13.246 -19.772 64 HG22 THR 33 HG22 THR 33 3.582 -14.656 -20.796 65 HG23 THR 33 HG23 THR 33 3.206 -14.866 -19.086 66 H ALA 34 H ALA 34 -0.984 -12.907 -21.172 67 HA ALA 34 HA ALA 34 -2.464 -14.598 -23.036 68 HB1 ALA 34 HB1 ALA 34 -2.653 -15.974 -21.157 69 HB2 ALA 34 HB2 ALA 34 -2.843 -14.606 -20.060 70 HB3 ALA 34 HB3 ALA 34 -4.150 -15.041 -21.161 71 HA PRO 35 HA PRO 35 -3.898 -10.161 -22.762 72 HB2 PRO 35 HB2 PRO 35 -3.728 -9.675 -25.428 73 HB3 PRO 35 HB3 PRO 35 -2.368 -9.448 -24.322 74 HG2 PRO 35 HG2 PRO 35 -2.963 -11.745 -26.147 75 HG3 PRO 35 HG3 PRO 35 -1.416 -10.935 -25.835 76 HD2 PRO 35 HD2 PRO 35 -2.084 -13.294 -24.684 77 HD3 PRO 35 HD3 PRO 35 -1.065 -12.089 -23.870 78 H CYS 36 H CYS 36 -5.867 -11.453 -22.199 79 HA CYS 36 HA CYS 36 -7.754 -11.373 -24.444 80 HB2 CYS 36 HB2 CYS 36 -7.702 -13.595 -22.395 81 HB3 CYS 36 HB3 CYS 36 -8.773 -13.463 -23.786 82 H SER 37 H SER 37 -10.056 -12.037 -23.232 83 HA SER 37 HA SER 37 -10.358 -9.903 -21.239 84 HB2 SER 37 HB2 SER 37 -12.699 -9.837 -21.858 85 HB3 SER 37 HB3 SER 37 -11.724 -9.778 -23.327 86 HG SER 37 HG SER 37 -12.130 -12.004 -23.601 87 H ARG 38 H ARG 38 -12.653 -10.543 -19.993 88 HA ARG 38 HA ARG 38 -11.815 -12.550 -18.148 89 HB2 ARG 38 HB2 ARG 38 -14.472 -11.122 -18.370 90 HB3 ARG 38 HB3 ARG 38 -13.928 -12.067 -16.991 91 HG2 ARG 38 HG2 ARG 38 -12.141 -9.885 -17.842 92 HG3 ARG 38 HG3 ARG 38 -13.695 -9.402 -17.159 93 HD2 ARG 38 HD2 ARG 38 -12.346 -9.518 -15.283 94 HD3 ARG 38 HD3 ARG 38 -13.119 -11.102 -15.291 95 HE ARG 38 HE ARG 38 -11.060 -12.037 -15.568 96 HH11 ARG 38 HH11 ARG 38 -10.910 -8.708 -16.576 97 HH12 ARG 38 HH12 ARG 38 -9.200 -8.733 -16.852 98 HH21 ARG 38 HH21 ARG 38 -8.808 -12.082 -15.927 99 HH22 ARG 38 HH22 ARG 38 -8.005 -10.652 -16.483 100 H GLY 39 H GLY 39 -12.023 -14.666 -18.432 101 HA2 GLY 39 HA2 GLY 39 -13.314 -16.633 -18.659 102 HA3 GLY 39 HA3 GLY 39 -14.516 -15.713 -19.552 103 H SER 40 H SER 40 -11.054 -15.702 -20.189 104 HA SER 40 HA SER 40 -11.450 -17.371 -22.557 105 HB2 SER 40 HB2 SER 40 -9.935 -14.796 -22.857 106 HB3 SER 40 HB3 SER 40 -10.680 -15.798 -24.101 107 HG SER 40 HG SER 40 -12.196 -14.331 -23.934 108 H SER 41 H SER 41 -9.485 -18.209 -23.450 109 HA SER 41 HA SER 41 -7.106 -17.913 -21.757 110 HB2 SER 41 HB2 SER 41 -6.812 -20.471 -22.103 111 HB3 SER 41 HB3 SER 41 -7.943 -19.913 -20.871 112 HG SER 41 HG SER 41 -8.857 -20.375 -23.484 113 H TRP 42 H TRP 42 -5.280 -17.683 -22.882 114 HA TRP 42 HA TRP 42 -5.411 -17.862 -25.781 115 HB2 TRP 42 HB2 TRP 42 -4.412 -15.857 -24.983 116 HB3 TRP 42 HB3 TRP 42 -3.370 -16.735 -23.866 117 HD1 TRP 42 HD1 TRP 42 -1.211 -17.964 -24.913 118 HE1 TRP 42 HE1 TRP 42 0.092 -17.543 -27.092 119 HE3 TRP 42 HE3 TRP 42 -4.676 -15.145 -27.399 120 HZ2 TRP 42 HZ2 TRP 42 -0.297 -16.194 -29.541 121 HZ3 TRP 42 HZ3 TRP 42 -4.132 -14.328 -29.655 122 HH2 TRP 42 HH2 TRP 42 -1.987 -14.842 -30.702 123 H SER 43 H SER 43 -4.728 -19.570 -26.879 124 HA SER 43 HA SER 43 -3.013 -21.526 -25.520 125 HB2 SER 43 HB2 SER 43 -5.355 -21.945 -26.819 126 HB3 SER 43 HB3 SER 43 -4.213 -22.221 -28.135 127 HG SER 43 HG SER 43 -3.174 -23.761 -26.813 128 H ALA 44 H ALA 44 -0.991 -21.909 -26.177 129 HA ALA 44 HA ALA 44 0.182 -20.242 -28.193 130 HB1 ALA 44 HB1 ALA 44 1.205 -22.299 -26.289 131 HB2 ALA 44 HB2 ALA 44 2.220 -21.775 -27.633 132 HB3 ALA 44 HB3 ALA 44 1.644 -20.599 -26.451 133 H ASP 45 H ASP 45 -1.358 -23.256 -28.220 134 HA ASP 45 HA ASP 45 0.097 -24.569 -30.260 135 HB2 ASP 45 HB2 ASP 45 -2.441 -24.953 -28.846 136 HB3 ASP 45 HB3 ASP 45 -2.476 -25.515 -30.515 137 H LEU 46 H LEU 46 -3.043 -22.879 -30.431 138 HA LEU 46 HA LEU 46 -2.672 -22.588 -33.321 139 HB2 LEU 46 HB2 LEU 46 -5.034 -22.404 -31.492 140 HB3 LEU 46 HB3 LEU 46 -5.091 -21.687 -33.101 141 HG LEU 46 HG LEU 46 -4.440 -24.590 -32.653 142 HD11 LEU 46 HD11 LEU 46 -6.697 -23.848 -31.708 143 HD12 LEU 46 HD12 LEU 46 -6.690 -25.179 -32.864 144 HD13 LEU 46 HD13 LEU 46 -7.161 -23.561 -33.385 145 HD21 LEU 46 HD21 LEU 46 -3.863 -24.186 -34.816 146 HD22 LEU 46 HD22 LEU 46 -4.974 -22.825 -34.977 147 HD23 LEU 46 HD23 LEU 46 -5.588 -24.477 -35.046 148 H ASP 47 H ASP 47 -2.389 -20.830 -30.434 149 HA ASP 47 HA ASP 47 -1.845 -18.666 -29.987 150 HB2 ASP 47 HB2 ASP 47 -1.601 -18.077 -32.918 151 HB3 ASP 47 HB3 ASP 47 -0.647 -17.453 -31.576 152 H LYS 48 H LYS 48 -4.073 -18.425 -29.320 153 HA LYS 48 HA LYS 48 -5.303 -16.145 -30.420 154 HB2 LYS 48 HB2 LYS 48 -7.249 -17.002 -31.454 155 HB3 LYS 48 HB3 LYS 48 -5.911 -17.911 -32.143 156 HG2 LYS 48 HG2 LYS 48 -7.544 -18.927 -29.836 157 HG3 LYS 48 HG3 LYS 48 -7.968 -19.232 -31.523 158 HD2 LYS 48 HD2 LYS 48 -6.589 -20.976 -31.499 159 HD3 LYS 48 HD3 LYS 48 -5.241 -19.858 -31.278 160 HE2 LYS 48 HE2 LYS 48 -4.888 -20.720 -29.264 161 HE3 LYS 48 HE3 LYS 48 -6.482 -20.159 -28.763 162 HZ1 LYS 48 HZ1 LYS 48 -7.243 -22.325 -29.965 163 HZ2 LYS 48 HZ2 LYS 48 -6.653 -22.392 -28.381 164 HZ3 LYS 48 HZ3 LYS 48 -5.652 -22.822 -29.675 165 H CYS 49 H CYS 49 -7.286 -15.551 -29.285 166 HA CYS 49 HA CYS 49 -7.218 -16.510 -26.547 167 HB2 CYS 49 HB2 CYS 49 -8.525 -14.189 -27.937 168 HB3 CYS 49 HB3 CYS 49 -9.016 -14.649 -26.310 169 H MET 50 H MET 50 -8.208 -18.472 -26.427 170 HA MET 50 HA MET 50 -10.744 -18.945 -27.731 171 HB2 MET 50 HB2 MET 50 -8.998 -20.620 -25.932 172 HB3 MET 50 HB3 MET 50 -10.574 -21.164 -26.491 173 HG2 MET 50 HG2 MET 50 -8.446 -20.282 -28.405 174 HG3 MET 50 HG3 MET 50 -8.513 -21.929 -27.781 175 HE1 MET 50 HE1 MET 50 -10.538 -23.642 -30.215 176 HE2 MET 50 HE2 MET 50 -9.176 -23.552 -29.098 177 HE3 MET 50 HE3 MET 50 -10.821 -23.659 -28.473 178 H ASP 51 H ASP 51 -12.541 -19.949 -26.396 179 HA ASP 51 HA ASP 51 -12.971 -18.267 -24.026 180 HB2 ASP 51 HB2 ASP 51 -14.569 -18.171 -26.011 181 HB3 ASP 51 HB3 ASP 51 -15.087 -19.789 -25.545 182 H CYS 52 H CYS 52 -13.369 -19.125 -22.058 183 HA CYS 52 HA CYS 52 -12.522 -21.680 -21.405 184 HB2 CYS 52 HB2 CYS 52 -13.355 -19.460 -19.998 185 HB3 CYS 52 HB3 CYS 52 -14.589 -20.652 -19.603 186 H ALA 53 H ALA 53 -15.681 -20.560 -22.396 187 HA ALA 53 HA ALA 53 -17.231 -22.746 -21.582 188 HB1 ALA 53 HB1 ALA 53 -18.493 -20.943 -22.259 189 HB2 ALA 53 HB2 ALA 53 -17.521 -20.667 -23.704 190 HB3 ALA 53 HB3 ALA 53 -18.650 -22.021 -23.646 191 H SER 54 H SER 54 -14.983 -22.385 -24.194 192 HA SER 54 HA SER 54 -15.868 -24.346 -25.961 193 HB2 SER 54 HB2 SER 54 -12.987 -23.673 -25.317 194 HB3 SER 54 HB3 SER 54 -13.586 -24.419 -26.798 195 HG SER 54 HG SER 54 -14.885 -22.424 -27.005 196 H CYS 55 H CYS 55 -14.347 -24.634 -22.862 197 HA CYS 55 HA CYS 55 -13.204 -27.143 -22.961 198 HB2 CYS 55 HB2 CYS 55 -14.621 -25.669 -20.754 199 HB3 CYS 55 HB3 CYS 55 -13.946 -27.274 -20.490 200 H ARG 56 H ARG 56 -16.576 -26.262 -22.878 201 HA ARG 56 HA ARG 56 -17.772 -28.597 -22.021 202 HB2 ARG 56 HB2 ARG 56 -18.558 -26.368 -23.804 203 HB3 ARG 56 HB3 ARG 56 -19.501 -27.844 -23.956 204 HG2 ARG 56 HG2 ARG 56 -20.177 -27.755 -21.688 205 HG3 ARG 56 HG3 ARG 56 -19.010 -26.482 -21.323 206 HD2 ARG 56 HD2 ARG 56 -20.263 -24.851 -22.354 207 HD3 ARG 56 HD3 ARG 56 -21.073 -25.999 -23.420 208 HE ARG 56 HE ARG 56 -21.888 -25.211 -20.777 209 HH11 ARG 56 HH11 ARG 56 -22.083 -27.680 -23.223 210 HH12 ARG 56 HH12 ARG 56 -23.582 -28.323 -22.639 211 HH21 ARG 56 HH21 ARG 56 -23.861 -26.049 -19.998 212 HH22 ARG 56 HH22 ARG 56 -24.593 -27.395 -20.805 213 H ALA 57 H ALA 57 -16.236 -27.898 -25.079 214 HA ALA 57 HA ALA 57 -16.962 -30.584 -26.046 215 HB1 ALA 57 HB1 ALA 57 -16.544 -29.788 -28.288 216 HB2 ALA 57 HB2 ALA 57 -17.684 -28.711 -27.480 217 HB3 ALA 57 HB3 ALA 57 -15.997 -28.230 -27.666 218 H ARG 58 H ARG 58 -14.327 -28.408 -25.327 219 HA ARG 58 HA ARG 58 -12.431 -30.589 -25.908 220 HB2 ARG 58 HB2 ARG 58 -12.313 -27.685 -26.528 221 HB3 ARG 58 HB3 ARG 58 -10.816 -28.455 -26.020 222 HG2 ARG 58 HG2 ARG 58 -10.666 -29.731 -27.901 223 HG3 ARG 58 HG3 ARG 58 -12.414 -29.782 -28.139 224 HD2 ARG 58 HD2 ARG 58 -12.435 -27.541 -28.968 225 HD3 ARG 58 HD3 ARG 58 -10.745 -27.305 -28.525 226 HE ARG 58 HE ARG 58 -11.112 -29.459 -30.371 227 HH11 ARG 58 HH11 ARG 58 -10.808 -26.003 -30.082 228 HH12 ARG 58 HH12 ARG 58 -10.210 -25.790 -31.694 229 HH21 ARG 58 HH21 ARG 58 -10.326 -29.191 -32.495 230 HH22 ARG 58 HH22 ARG 58 -9.937 -27.604 -33.066 231 HA PRO 59 HA PRO 59 -12.325 -29.481 -21.376 232 HB2 PRO 59 HB2 PRO 59 -12.533 -32.038 -20.488 233 HB3 PRO 59 HB3 PRO 59 -13.939 -31.028 -20.845 234 HG2 PRO 59 HG2 PRO 59 -12.649 -33.143 -22.526 235 HG3 PRO 59 HG3 PRO 59 -14.373 -32.836 -22.242 236 HD2 PRO 59 HD2 PRO 59 -13.100 -32.028 -24.491 237 HD3 PRO 59 HD3 PRO 59 -14.449 -31.120 -23.779 238 H HIS 60 H HIS 60 -10.593 -31.538 -23.530 239 HA HIS 60 HA HIS 60 -8.345 -31.698 -21.634 240 HB2 HIS 60 HB2 HIS 60 -7.511 -33.507 -23.225 241 HB3 HIS 60 HB3 HIS 60 -8.935 -33.902 -22.267 242 HD1 HIS 60 HD1 HIS 60 -8.720 -32.030 -25.571 243 HD2 HIS 60 HD2 HIS 60 -10.406 -35.454 -23.929 244 HE1 HIS 60 HE1 HIS 60 -10.144 -33.018 -27.393 245 H SER 61 H SER 61 -8.556 -29.281 -22.713 246 HA SER 61 HA SER 61 -6.582 -29.249 -24.902 247 HB2 SER 61 HB2 SER 61 -8.986 -27.551 -24.369 248 HB3 SER 61 HB3 SER 61 -7.601 -26.827 -25.187 249 HG SER 61 HG SER 61 -8.144 -27.859 -26.926 250 H ASP 62 H ASP 62 -5.029 -27.520 -24.884 251 HA ASP 62 HA ASP 62 -3.796 -27.139 -22.396 252 HB2 ASP 62 HB2 ASP 62 -3.444 -25.722 -25.039 253 HB3 ASP 62 HB3 ASP 62 -2.426 -25.403 -23.637 254 H PHE 63 H PHE 63 -5.509 -24.760 -24.428 255 HA PHE 63 HA PHE 63 -5.414 -22.664 -22.561 256 HB2 PHE 63 HB2 PHE 63 -7.197 -21.632 -23.918 257 HB3 PHE 63 HB3 PHE 63 -5.900 -22.272 -24.921 258 HD1 PHE 63 HD1 PHE 63 -9.328 -22.934 -23.704 259 HD2 PHE 63 HD2 PHE 63 -6.322 -23.898 -26.560 260 HE1 PHE 63 HE1 PHE 63 -10.972 -24.235 -24.990 261 HE2 PHE 63 HE2 PHE 63 -7.962 -25.201 -27.851 262 HZ PHE 63 HZ PHE 63 -10.290 -25.372 -27.066 263 H CYS 64 H CYS 64 -7.503 -25.416 -22.853 264 HA CYS 64 HA CYS 64 -9.696 -24.482 -21.350 265 HB2 CYS 64 HB2 CYS 64 -9.735 -26.522 -22.764 266 HB3 CYS 64 HB3 CYS 64 -8.682 -27.321 -21.601 267 H LEU 65 H LEU 65 -6.978 -26.566 -20.349 268 HA LEU 65 HA LEU 65 -7.648 -26.453 -17.590 269 HB2 LEU 65 HB2 LEU 65 -5.031 -27.169 -18.903 270 HB3 LEU 65 HB3 LEU 65 -5.465 -27.495 -17.227 271 HG LEU 65 HG LEU 65 -6.829 -28.693 -19.638 272 HD11 LEU 65 HD11 LEU 65 -5.720 -30.780 -18.901 273 HD12 LEU 65 HD12 LEU 65 -4.786 -29.837 -17.741 274 HD13 LEU 65 HD13 LEU 65 -4.590 -29.551 -19.470 275 HD21 LEU 65 HD21 LEU 65 -8.022 -30.059 -18.103 276 HD22 LEU 65 HD22 LEU 65 -8.204 -28.392 -17.556 277 HD23 LEU 65 HD23 LEU 65 -7.072 -29.469 -16.738 278 H GLY 66 H GLY 66 -5.631 -24.520 -19.691 279 HA2 GLY 66 HA2 GLY 66 -4.238 -23.159 -17.594 280 HA3 GLY 66 HA3 GLY 66 -4.302 -22.680 -19.284 281 H CYS 67 H CYS 67 -7.264 -22.658 -19.259 282 HA CYS 67 HA CYS 67 -7.713 -19.968 -18.809 283 HB2 CYS 67 HB2 CYS 67 -9.249 -21.246 -20.147 284 HB3 CYS 67 HB3 CYS 67 -9.655 -22.283 -18.783 285 H ALA 68 H ALA 68 -9.299 -22.443 -16.808 286 HA ALA 68 HA ALA 68 -9.833 -20.738 -14.660 287 HB1 ALA 68 HB1 ALA 68 -11.122 -22.654 -14.673 288 HB2 ALA 68 HB2 ALA 68 -9.739 -23.710 -14.965 289 HB3 ALA 68 HB3 ALA 68 -9.978 -22.990 -13.373 290 H ALA 69 H ALA 69 -8.479 -19.782 -13.305 291 HA ALA 69 HA ALA 69 -5.734 -20.486 -13.101 292 HB1 ALA 69 HB1 ALA 69 -6.225 -18.858 -10.943 293 HB2 ALA 69 HB2 ALA 69 -5.782 -18.320 -12.563 294 HB3 ALA 69 HB3 ALA 69 -7.480 -18.387 -12.089 295 H ALA 70 H ALA 70 -8.292 -20.490 -10.608 296 HA ALA 70 HA ALA 70 -8.538 -21.692 -8.689 297 HB1 ALA 70 HB1 ALA 70 -7.340 -23.735 -10.535 298 HB2 ALA 70 HB2 ALA 70 -7.840 -24.135 -8.891 299 HB3 ALA 70 HB3 ALA 70 -9.025 -23.539 -10.052 Start of MODEL 15 1 H1 GLY 21 H1 GLY 21 10.988 -1.562 -7.614 2 HA2 GLY 21 HA2 GLY 21 11.153 -3.038 -9.993 3 HA3 GLY 21 HA3 GLY 21 9.633 -3.441 -9.209 4 H SER 22 H SER 22 8.931 -2.480 -11.363 5 HA SER 22 HA SER 22 7.849 -0.827 -12.490 6 HB2 SER 22 HB2 SER 22 6.766 -0.559 -10.221 7 HB3 SER 22 HB3 SER 22 7.920 0.735 -9.902 8 HG SER 22 HG SER 22 7.047 1.904 -11.585 9 H SER 23 H SER 23 9.753 -0.480 -13.755 10 HA SER 23 HA SER 23 10.866 2.199 -13.354 11 HB2 SER 23 HB2 SER 23 13.100 1.096 -14.230 12 HB3 SER 23 HB3 SER 23 12.700 1.070 -12.513 13 HG SER 23 HG SER 23 13.180 -0.990 -14.056 14 H GLY 24 H GLY 24 11.091 3.352 -15.198 15 HA2 GLY 24 HA2 GLY 24 11.752 2.850 -17.689 16 HA3 GLY 24 HA3 GLY 24 10.183 2.060 -17.664 17 H SER 25 H SER 25 11.296 4.483 -19.095 18 HA SER 25 HA SER 25 10.054 6.801 -18.085 19 HB2 SER 25 HB2 SER 25 11.400 5.998 -20.562 20 HB3 SER 25 HB3 SER 25 10.134 7.201 -20.811 21 HG SER 25 HG SER 25 12.562 7.633 -19.953 22 H SER 26 H SER 26 8.877 4.145 -20.007 23 HA SER 26 HA SER 26 6.201 5.367 -19.968 24 HB2 SER 26 HB2 SER 26 7.762 4.638 -22.279 25 HB3 SER 26 HB3 SER 26 6.295 3.663 -22.212 26 HG SER 26 HG SER 26 5.098 5.592 -22.064 27 H GLY 27 H GLY 27 7.932 2.302 -20.557 28 HA2 GLY 27 HA2 GLY 27 7.425 0.143 -19.963 29 HA3 GLY 27 HA3 GLY 27 6.762 0.857 -18.500 30 H GLU 28 H GLU 28 5.254 -0.968 -18.635 31 HA GLU 28 HA GLU 28 2.756 -0.154 -19.681 32 HB2 GLU 28 HB2 GLU 28 2.458 -2.124 -21.239 33 HB3 GLU 28 HB3 GLU 28 3.514 -0.844 -21.821 34 HG2 GLU 28 HG2 GLU 28 5.187 -2.265 -22.067 35 HG3 GLU 28 HG3 GLU 28 5.055 -2.780 -20.386 36 H GLN 29 H GLN 29 1.085 -1.261 -18.744 37 HA GLN 29 HA GLN 29 1.812 -3.578 -17.075 38 HB2 GLN 29 HB2 GLN 29 0.047 -1.225 -16.417 39 HB3 GLN 29 HB3 GLN 29 -0.018 -2.732 -15.513 40 HG2 GLN 29 HG2 GLN 29 2.676 -2.103 -15.577 41 HG3 GLN 29 HG3 GLN 29 1.872 -0.552 -15.348 42 HE21 GLN 29 HE21 GLN 29 2.286 -0.165 -13.256 43 HE22 GLN 29 HE22 GLN 29 1.799 -1.187 -11.951 44 H ALA 30 H ALA 30 1.101 -4.766 -19.022 45 HA ALA 30 HA ALA 30 -1.770 -5.305 -18.849 46 HB1 ALA 30 HB1 ALA 30 -2.038 -4.091 -20.736 47 HB2 ALA 30 HB2 ALA 30 -0.350 -4.263 -21.218 48 HB3 ALA 30 HB3 ALA 30 -1.486 -5.581 -21.502 49 HA PRO 31 HA PRO 31 -0.635 -9.536 -19.101 50 HB2 PRO 31 HB2 PRO 31 -2.670 -10.602 -20.547 51 HB3 PRO 31 HB3 PRO 31 -2.863 -10.048 -18.879 52 HG2 PRO 31 HG2 PRO 31 -3.572 -8.654 -21.432 53 HG3 PRO 31 HG3 PRO 31 -4.499 -8.767 -19.924 54 HD2 PRO 31 HD2 PRO 31 -3.051 -6.576 -20.584 55 HD3 PRO 31 HD3 PRO 31 -3.279 -7.098 -18.903 56 H GLY 32 H GLY 32 1.168 -9.946 -20.269 57 HA2 GLY 32 HA2 GLY 32 1.051 -9.748 -23.192 58 HA3 GLY 32 HA3 GLY 32 2.511 -9.899 -22.224 59 H THR 33 H THR 33 1.090 -12.104 -20.674 60 HA THR 33 HA THR 33 1.981 -14.251 -22.408 61 HB THR 33 HB THR 33 2.635 -14.297 -20.049 62 HG1 THR 33 HG1 THR 33 2.521 -16.326 -20.867 63 HG21 THR 33 HG21 THR 33 0.051 -15.119 -18.992 64 HG22 THR 33 HG22 THR 33 0.051 -13.449 -19.555 65 HG23 THR 33 HG23 THR 33 1.221 -13.970 -18.344 66 H ALA 34 H ALA 34 -0.996 -12.875 -21.277 67 HA ALA 34 HA ALA 34 -2.488 -14.612 -23.055 68 HB1 ALA 34 HB1 ALA 34 -3.253 -14.478 -20.144 69 HB2 ALA 34 HB2 ALA 34 -4.038 -15.417 -21.414 70 HB3 ALA 34 HB3 ALA 34 -2.407 -15.834 -20.889 71 HA PRO 35 HA PRO 35 -3.923 -10.179 -22.735 72 HB2 PRO 35 HB2 PRO 35 -3.760 -9.667 -25.396 73 HB3 PRO 35 HB3 PRO 35 -2.398 -9.450 -24.291 74 HG2 PRO 35 HG2 PRO 35 -2.995 -11.730 -26.137 75 HG3 PRO 35 HG3 PRO 35 -1.449 -10.922 -25.821 76 HD2 PRO 35 HD2 PRO 35 -2.112 -13.292 -24.691 77 HD3 PRO 35 HD3 PRO 35 -1.092 -12.094 -23.869 78 H CYS 36 H CYS 36 -5.890 -11.477 -22.180 79 HA CYS 36 HA CYS 36 -7.787 -11.364 -24.414 80 HB2 CYS 36 HB2 CYS 36 -7.741 -13.631 -22.415 81 HB3 CYS 36 HB3 CYS 36 -8.784 -13.475 -23.825 82 H SER 37 H SER 37 -10.105 -11.636 -23.514 83 HA SER 37 HA SER 37 -10.380 -9.705 -21.359 84 HB2 SER 37 HB2 SER 37 -12.759 -9.666 -21.987 85 HB3 SER 37 HB3 SER 37 -11.727 -9.419 -23.396 86 HG SER 37 HG SER 37 -13.323 -10.920 -23.894 87 H ARG 38 H ARG 38 -12.572 -10.235 -20.031 88 HA ARG 38 HA ARG 38 -11.851 -12.292 -18.242 89 HB2 ARG 38 HB2 ARG 38 -14.046 -11.842 -17.180 90 HB3 ARG 38 HB3 ARG 38 -13.113 -10.381 -17.473 91 HG2 ARG 38 HG2 ARG 38 -14.666 -10.704 -19.759 92 HG3 ARG 38 HG3 ARG 38 -15.735 -11.107 -18.414 93 HD2 ARG 38 HD2 ARG 38 -14.872 -8.958 -17.327 94 HD3 ARG 38 HD3 ARG 38 -14.239 -8.554 -18.922 95 HE ARG 38 HE ARG 38 -16.953 -8.400 -18.072 96 HH11 ARG 38 HH11 ARG 38 -14.921 -9.041 -20.825 97 HH12 ARG 38 HH12 ARG 38 -16.116 -8.557 -21.983 98 HH21 ARG 38 HH21 ARG 38 -18.534 -7.761 -19.587 99 HH22 ARG 38 HH22 ARG 38 -18.170 -7.828 -21.278 100 H GLY 39 H GLY 39 -12.099 -14.412 -18.452 101 HA2 GLY 39 HA2 GLY 39 -13.312 -16.394 -18.767 102 HA3 GLY 39 HA3 GLY 39 -14.539 -15.480 -19.631 103 H SER 40 H SER 40 -11.033 -15.901 -20.105 104 HA SER 40 HA SER 40 -11.449 -17.365 -22.554 105 HB2 SER 40 HB2 SER 40 -9.937 -14.788 -22.858 106 HB3 SER 40 HB3 SER 40 -10.682 -15.793 -24.101 107 HG SER 40 HG SER 40 -11.730 -13.722 -22.735 108 H SER 41 H SER 41 -9.484 -18.203 -23.447 109 HA SER 41 HA SER 41 -7.104 -17.902 -21.758 110 HB2 SER 41 HB2 SER 41 -6.807 -20.459 -22.099 111 HB3 SER 41 HB3 SER 41 -7.937 -19.900 -20.865 112 HG SER 41 HG SER 41 -8.863 -20.361 -23.474 113 H TRP 42 H TRP 42 -5.277 -17.675 -22.884 114 HA TRP 42 HA TRP 42 -5.412 -17.858 -25.783 115 HB2 TRP 42 HB2 TRP 42 -4.411 -15.852 -24.989 116 HB3 TRP 42 HB3 TRP 42 -3.369 -16.729 -23.872 117 HD1 TRP 42 HD1 TRP 42 -1.211 -17.961 -24.917 118 HE1 TRP 42 HE1 TRP 42 0.091 -17.544 -27.098 119 HE3 TRP 42 HE3 TRP 42 -4.677 -15.145 -27.406 120 HZ2 TRP 42 HZ2 TRP 42 -0.300 -16.200 -29.549 121 HZ3 TRP 42 HZ3 TRP 42 -4.134 -14.332 -29.664 122 HH2 TRP 42 HH2 TRP 42 -1.990 -14.849 -30.712 123 H SER 43 H SER 43 -4.732 -19.569 -26.878 124 HA SER 43 HA SER 43 -3.016 -21.524 -25.518 125 HB2 SER 43 HB2 SER 43 -5.359 -21.943 -26.817 126 HB3 SER 43 HB3 SER 43 -4.217 -22.222 -28.131 127 HG SER 43 HG SER 43 -3.113 -23.628 -26.509 128 H ALA 44 H ALA 44 -0.995 -21.909 -26.175 129 HA ALA 44 HA ALA 44 0.178 -20.244 -28.192 130 HB1 ALA 44 HB1 ALA 44 1.663 -20.587 -26.482 131 HB2 ALA 44 HB2 ALA 44 1.189 -22.272 -26.260 132 HB3 ALA 44 HB3 ALA 44 2.205 -21.815 -27.627 133 H ASP 45 H ASP 45 -1.364 -23.258 -28.216 134 HA ASP 45 HA ASP 45 0.091 -24.574 -30.255 135 HB2 ASP 45 HB2 ASP 45 -2.447 -24.955 -28.840 136 HB3 ASP 45 HB3 ASP 45 -2.482 -25.520 -30.508 137 H LEU 46 H LEU 46 -3.049 -22.884 -30.427 138 HA LEU 46 HA LEU 46 -2.679 -22.596 -33.317 139 HB2 LEU 46 HB2 LEU 46 -5.040 -22.409 -31.488 140 HB3 LEU 46 HB3 LEU 46 -5.098 -21.694 -33.098 141 HG LEU 46 HG LEU 46 -4.447 -24.597 -32.647 142 HD11 LEU 46 HD11 LEU 46 -6.698 -25.185 -32.857 143 HD12 LEU 46 HD12 LEU 46 -7.168 -23.567 -33.377 144 HD13 LEU 46 HD13 LEU 46 -6.704 -23.853 -31.700 145 HD21 LEU 46 HD21 LEU 46 -4.985 -22.835 -34.973 146 HD22 LEU 46 HD22 LEU 46 -5.593 -24.490 -35.038 147 HD23 LEU 46 HD23 LEU 46 -3.869 -24.192 -34.810 148 H ASP 47 H ASP 47 -2.395 -20.835 -30.432 149 HA ASP 47 HA ASP 47 -1.850 -18.671 -29.988 150 HB2 ASP 47 HB2 ASP 47 -1.583 -18.221 -32.958 151 HB3 ASP 47 HB3 ASP 47 -0.750 -17.384 -31.650 152 H LYS 48 H LYS 48 -4.077 -18.429 -29.321 153 HA LYS 48 HA LYS 48 -5.308 -16.149 -30.422 154 HB2 LYS 48 HB2 LYS 48 -7.255 -17.007 -31.455 155 HB3 LYS 48 HB3 LYS 48 -5.916 -17.917 -32.143 156 HG2 LYS 48 HG2 LYS 48 -7.549 -18.931 -29.835 157 HG3 LYS 48 HG3 LYS 48 -7.974 -19.237 -31.520 158 HD2 LYS 48 HD2 LYS 48 -6.595 -20.982 -31.496 159 HD3 LYS 48 HD3 LYS 48 -5.247 -19.863 -31.277 160 HE2 LYS 48 HE2 LYS 48 -4.894 -20.725 -29.262 161 HE3 LYS 48 HE3 LYS 48 -6.487 -20.162 -28.761 162 HZ1 LYS 48 HZ1 LYS 48 -5.657 -22.826 -29.663 163 HZ2 LYS 48 HZ2 LYS 48 -7.246 -22.330 -29.967 164 HZ3 LYS 48 HZ3 LYS 48 -6.669 -22.392 -28.379 165 H CYS 49 H CYS 49 -7.289 -15.553 -29.287 166 HA CYS 49 HA CYS 49 -7.220 -16.510 -26.548 167 HB2 CYS 49 HB2 CYS 49 -8.531 -14.191 -27.939 168 HB3 CYS 49 HB3 CYS 49 -9.016 -14.648 -26.310 169 H MET 50 H MET 50 -8.210 -18.471 -26.425 170 HA MET 50 HA MET 50 -10.748 -18.945 -27.727 171 HB2 MET 50 HB2 MET 50 -9.000 -20.620 -25.928 172 HB3 MET 50 HB3 MET 50 -10.577 -21.163 -26.486 173 HG2 MET 50 HG2 MET 50 -8.450 -20.282 -28.402 174 HG3 MET 50 HG3 MET 50 -8.517 -21.929 -27.778 175 HE1 MET 50 HE1 MET 50 -10.541 -23.643 -30.209 176 HE2 MET 50 HE2 MET 50 -9.181 -23.553 -29.089 177 HE3 MET 50 HE3 MET 50 -10.829 -23.659 -28.469 178 H ASP 51 H ASP 51 -12.544 -19.948 -26.389 179 HA ASP 51 HA ASP 51 -12.972 -18.264 -24.020 180 HB2 ASP 51 HB2 ASP 51 -14.563 -18.250 -26.060 181 HB3 ASP 51 HB3 ASP 51 -15.127 -19.802 -25.447 182 H CYS 52 H CYS 52 -13.373 -19.119 -22.051 183 HA CYS 52 HA CYS 52 -12.520 -21.672 -21.395 184 HB2 CYS 52 HB2 CYS 52 -13.353 -19.451 -19.991 185 HB3 CYS 52 HB3 CYS 52 -14.585 -20.644 -19.591 186 H ALA 53 H ALA 53 -15.665 -20.565 -22.422 187 HA ALA 53 HA ALA 53 -17.219 -22.748 -21.590 188 HB1 ALA 53 HB1 ALA 53 -18.227 -20.681 -22.346 189 HB2 ALA 53 HB2 ALA 53 -17.592 -20.936 -23.971 190 HB3 ALA 53 HB3 ALA 53 -18.814 -22.029 -23.320 191 H SER 54 H SER 54 -14.972 -22.387 -24.202 192 HA SER 54 HA SER 54 -15.852 -24.349 -25.968 193 HB2 SER 54 HB2 SER 54 -13.034 -23.480 -25.289 194 HB3 SER 54 HB3 SER 54 -13.445 -24.517 -26.655 195 HG SER 54 HG SER 54 -14.046 -22.815 -27.718 196 H CYS 55 H CYS 55 -14.339 -24.638 -22.865 197 HA CYS 55 HA CYS 55 -13.199 -27.149 -22.962 198 HB2 CYS 55 HB2 CYS 55 -14.624 -25.680 -20.755 199 HB3 CYS 55 HB3 CYS 55 -13.936 -27.279 -20.493 200 H ARG 56 H ARG 56 -16.570 -26.263 -22.886 201 HA ARG 56 HA ARG 56 -17.771 -28.596 -22.031 202 HB2 ARG 56 HB2 ARG 56 -18.545 -26.327 -23.735 203 HB3 ARG 56 HB3 ARG 56 -19.451 -27.803 -24.038 204 HG2 ARG 56 HG2 ARG 56 -19.997 -27.909 -21.625 205 HG3 ARG 56 HG3 ARG 56 -19.189 -26.354 -21.413 206 HD2 ARG 56 HD2 ARG 56 -21.206 -25.465 -21.801 207 HD3 ARG 56 HD3 ARG 56 -20.883 -25.840 -23.493 208 HE ARG 56 HE ARG 56 -22.524 -27.420 -23.401 209 HH11 ARG 56 HH11 ARG 56 -21.496 -26.690 -20.156 210 HH12 ARG 56 HH12 ARG 56 -22.718 -27.666 -19.409 211 HH21 ARG 56 HH21 ARG 56 -24.138 -28.707 -22.430 212 HH22 ARG 56 HH22 ARG 56 -24.220 -28.813 -20.704 213 H ALA 57 H ALA 57 -16.238 -27.896 -25.092 214 HA ALA 57 HA ALA 57 -16.958 -30.585 -26.054 215 HB1 ALA 57 HB1 ALA 57 -16.400 -28.019 -27.475 216 HB2 ALA 57 HB2 ALA 57 -16.115 -29.555 -28.294 217 HB3 ALA 57 HB3 ALA 57 -17.726 -29.160 -27.695 218 H ARG 58 H ARG 58 -14.333 -28.414 -25.312 219 HA ARG 58 HA ARG 58 -12.430 -30.584 -25.908 220 HB2 ARG 58 HB2 ARG 58 -12.319 -27.679 -26.521 221 HB3 ARG 58 HB3 ARG 58 -10.819 -28.446 -26.015 222 HG2 ARG 58 HG2 ARG 58 -10.671 -29.722 -27.899 223 HG3 ARG 58 HG3 ARG 58 -12.418 -29.766 -28.140 224 HD2 ARG 58 HD2 ARG 58 -12.013 -28.275 -29.767 225 HD3 ARG 58 HD3 ARG 58 -11.906 -27.116 -28.443 226 HE ARG 58 HE ARG 58 -9.381 -28.220 -28.758 227 HH11 ARG 58 HH11 ARG 58 -11.617 -26.303 -30.615 228 HH12 ARG 58 HH12 ARG 58 -10.377 -25.491 -31.513 229 HH21 ARG 58 HH21 ARG 58 -7.740 -27.158 -29.934 230 HH22 ARG 58 HH22 ARG 58 -8.173 -25.979 -31.125 231 HA PRO 59 HA PRO 59 -12.328 -29.486 -21.373 232 HB2 PRO 59 HB2 PRO 59 -12.532 -32.045 -20.491 233 HB3 PRO 59 HB3 PRO 59 -13.939 -31.036 -20.846 234 HG2 PRO 59 HG2 PRO 59 -12.647 -33.146 -22.531 235 HG3 PRO 59 HG3 PRO 59 -14.371 -32.841 -22.247 236 HD2 PRO 59 HD2 PRO 59 -13.099 -32.027 -24.494 237 HD3 PRO 59 HD3 PRO 59 -14.449 -31.122 -23.780 238 H HIS 60 H HIS 60 -10.593 -31.538 -23.531 239 HA HIS 60 HA HIS 60 -8.345 -31.698 -21.635 240 HB2 HIS 60 HB2 HIS 60 -7.509 -33.503 -23.230 241 HB3 HIS 60 HB3 HIS 60 -8.931 -33.902 -22.271 242 HD1 HIS 60 HD1 HIS 60 -8.692 -32.046 -25.584 243 HD2 HIS 60 HD2 HIS 60 -10.432 -35.433 -23.921 244 HE1 HIS 60 HE1 HIS 60 -10.125 -33.029 -27.403 245 H SER 61 H SER 61 -8.560 -29.280 -22.712 246 HA SER 61 HA SER 61 -6.586 -29.243 -24.901 247 HB2 SER 61 HB2 SER 61 -8.992 -27.551 -24.365 248 HB3 SER 61 HB3 SER 61 -7.608 -26.818 -25.176 249 HG SER 61 HG SER 61 -7.774 -28.381 -26.787 250 H ASP 62 H ASP 62 -5.031 -27.517 -24.878 251 HA ASP 62 HA ASP 62 -3.800 -27.138 -22.390 252 HB2 ASP 62 HB2 ASP 62 -3.443 -25.724 -25.034 253 HB3 ASP 62 HB3 ASP 62 -2.429 -25.400 -23.631 254 H PHE 63 H PHE 63 -5.510 -24.758 -24.424 255 HA PHE 63 HA PHE 63 -5.414 -22.661 -22.558 256 HB2 PHE 63 HB2 PHE 63 -7.194 -21.627 -23.916 257 HB3 PHE 63 HB3 PHE 63 -5.899 -22.272 -24.919 258 HD1 PHE 63 HD1 PHE 63 -9.326 -22.926 -23.697 259 HD2 PHE 63 HD2 PHE 63 -6.327 -23.898 -26.556 260 HE1 PHE 63 HE1 PHE 63 -10.975 -24.226 -24.979 261 HE2 PHE 63 HE2 PHE 63 -7.972 -25.199 -27.844 262 HZ PHE 63 HZ PHE 63 -10.299 -25.363 -27.056 263 H CYS 64 H CYS 64 -7.503 -25.412 -22.847 264 HA CYS 64 HA CYS 64 -9.697 -24.476 -21.346 265 HB2 CYS 64 HB2 CYS 64 -9.739 -26.516 -22.758 266 HB3 CYS 64 HB3 CYS 64 -8.683 -27.315 -21.598 267 H LEU 65 H LEU 65 -6.993 -26.575 -20.339 268 HA LEU 65 HA LEU 65 -7.660 -26.452 -17.582 269 HB2 LEU 65 HB2 LEU 65 -5.111 -27.237 -18.982 270 HB3 LEU 65 HB3 LEU 65 -5.388 -27.424 -17.252 271 HG LEU 65 HG LEU 65 -7.090 -28.760 -19.348 272 HD11 LEU 65 HD11 LEU 65 -5.649 -30.774 -18.327 273 HD12 LEU 65 HD12 LEU 65 -4.444 -29.488 -18.260 274 HD13 LEU 65 HD13 LEU 65 -5.199 -29.910 -19.797 275 HD21 LEU 65 HD21 LEU 65 -8.261 -29.603 -17.649 276 HD22 LEU 65 HD22 LEU 65 -7.484 -28.381 -16.642 277 HD23 LEU 65 HD23 LEU 65 -6.804 -30.006 -16.739 278 H GLY 66 H GLY 66 -5.636 -24.528 -19.685 279 HA2 GLY 66 HA2 GLY 66 -4.239 -23.169 -17.588 280 HA3 GLY 66 HA3 GLY 66 -4.300 -22.693 -19.279 281 H CYS 67 H CYS 67 -7.262 -22.660 -19.257 282 HA CYS 67 HA CYS 67 -7.701 -19.968 -18.811 283 HB2 CYS 67 HB2 CYS 67 -9.239 -21.240 -20.151 284 HB3 CYS 67 HB3 CYS 67 -9.652 -22.275 -18.787 285 H ALA 68 H ALA 68 -9.300 -22.434 -16.811 286 HA ALA 68 HA ALA 68 -9.832 -20.725 -14.666 287 HB1 ALA 68 HB1 ALA 68 -11.127 -22.639 -14.685 288 HB2 ALA 68 HB2 ALA 68 -9.744 -23.698 -14.962 289 HB3 ALA 68 HB3 ALA 68 -9.993 -22.970 -13.375 290 H ALA 69 H ALA 69 -8.939 -20.746 -12.502 291 HA ALA 69 HA ALA 69 -6.086 -21.469 -12.408 292 HB1 ALA 69 HB1 ALA 69 -6.115 -19.114 -12.727 293 HB2 ALA 69 HB2 ALA 69 -7.363 -18.899 -11.499 294 HB3 ALA 69 HB3 ALA 69 -5.740 -19.401 -11.027 295 H ALA 70 H ALA 70 -8.869 -20.494 -10.407 296 HA ALA 70 HA ALA 70 -8.372 -22.712 -8.611 297 HB1 ALA 70 HB1 ALA 70 -8.634 -20.769 -6.727 298 HB2 ALA 70 HB2 ALA 70 -7.101 -21.480 -7.233 299 HB3 ALA 70 HB3 ALA 70 -7.641 -19.955 -7.936 Start of MODEL 16 1 H1 GLY 21 H1 GLY 21 10.052 -3.809 -16.766 2 HA2 GLY 21 HA2 GLY 21 7.951 -2.516 -15.142 3 HA3 GLY 21 HA3 GLY 21 7.671 -2.959 -16.819 4 H SER 22 H SER 22 5.948 -3.918 -15.000 5 HA SER 22 HA SER 22 4.983 -5.813 -14.190 6 HB2 SER 22 HB2 SER 22 6.886 -7.264 -16.041 7 HB3 SER 22 HB3 SER 22 5.342 -7.855 -15.426 8 HG SER 22 HG SER 22 5.529 -6.818 -17.659 9 H SER 23 H SER 23 6.886 -4.810 -12.529 10 HA SER 23 HA SER 23 8.441 -7.133 -11.620 11 HB2 SER 23 HB2 SER 23 8.834 -4.198 -11.463 12 HB3 SER 23 HB3 SER 23 9.350 -5.129 -10.058 13 HG SER 23 HG SER 23 11.078 -5.428 -11.227 14 H GLY 24 H GLY 24 5.880 -4.946 -10.751 15 HA2 GLY 24 HA2 GLY 24 4.850 -6.647 -8.761 16 HA3 GLY 24 HA3 GLY 24 5.784 -5.379 -7.981 17 H SER 25 H SER 25 3.855 -4.630 -6.980 18 HA SER 25 HA SER 25 1.606 -3.773 -8.505 19 HB2 SER 25 HB2 SER 25 1.549 -2.367 -6.092 20 HB3 SER 25 HB3 SER 25 0.758 -3.906 -6.430 21 HG SER 25 HG SER 25 2.057 -4.187 -4.647 22 H SER 26 H SER 26 0.824 -1.426 -8.260 23 HA SER 26 HA SER 26 1.050 0.724 -8.975 24 HB2 SER 26 HB2 SER 26 3.754 0.771 -7.653 25 HB3 SER 26 HB3 SER 26 2.570 2.071 -7.787 26 HG SER 26 HG SER 26 1.982 -0.295 -6.371 27 H GLY 27 H GLY 27 1.954 -1.324 -10.761 28 HA2 GLY 27 HA2 GLY 27 3.444 0.320 -12.586 29 HA3 GLY 27 HA3 GLY 27 4.385 -1.031 -11.971 30 H GLU 28 H GLU 28 1.740 -0.058 -14.002 31 HA GLU 28 HA GLU 28 1.332 -2.838 -14.858 32 HB2 GLU 28 HB2 GLU 28 -0.701 -1.951 -15.993 33 HB3 GLU 28 HB3 GLU 28 -0.716 -1.736 -14.248 34 HG2 GLU 28 HG2 GLU 28 0.455 0.569 -15.425 35 HG3 GLU 28 HG3 GLU 28 -1.052 0.210 -16.266 36 H GLN 29 H GLN 29 1.221 -3.320 -17.129 37 HA GLN 29 HA GLN 29 2.133 -1.411 -19.063 38 HB2 GLN 29 HB2 GLN 29 4.151 -2.577 -17.645 39 HB3 GLN 29 HB3 GLN 29 3.995 -3.690 -18.997 40 HG2 GLN 29 HG2 GLN 29 3.977 -0.929 -19.864 41 HG3 GLN 29 HG3 GLN 29 5.430 -1.330 -18.950 42 HE21 GLN 29 HE21 GLN 29 7.043 -2.108 -20.090 43 HE22 GLN 29 HE22 GLN 29 6.921 -2.931 -21.604 44 H ALA 30 H ALA 30 2.207 -4.941 -18.534 45 HA ALA 30 HA ALA 30 0.363 -5.258 -20.789 46 HB1 ALA 30 HB1 ALA 30 1.849 -6.217 -22.127 47 HB2 ALA 30 HB2 ALA 30 3.112 -5.821 -20.960 48 HB3 ALA 30 HB3 ALA 30 2.286 -7.376 -20.871 49 HA PRO 31 HA PRO 31 -1.617 -8.308 -18.333 50 HB2 PRO 31 HB2 PRO 31 -2.375 -10.146 -20.182 51 HB3 PRO 31 HB3 PRO 31 -3.137 -8.557 -20.038 52 HG2 PRO 31 HG2 PRO 31 -1.032 -9.481 -21.955 53 HG3 PRO 31 HG3 PRO 31 -2.466 -8.485 -22.263 54 HD2 PRO 31 HD2 PRO 31 0.011 -7.427 -21.990 55 HD3 PRO 31 HD3 PRO 31 -1.456 -6.566 -21.482 56 H GLY 32 H GLY 32 0.675 -9.667 -20.691 57 HA2 GLY 32 HA2 GLY 32 2.554 -10.876 -19.442 58 HA3 GLY 32 HA3 GLY 32 1.242 -11.843 -18.784 59 H THR 33 H THR 33 0.982 -13.732 -19.745 60 HA THR 33 HA THR 33 1.765 -13.985 -22.575 61 HB THR 33 HB THR 33 2.135 -16.383 -22.133 62 HG1 THR 33 HG1 THR 33 0.996 -16.974 -20.401 63 HG21 THR 33 HG21 THR 33 3.794 -14.306 -21.506 64 HG22 THR 33 HG22 THR 33 4.264 -16.005 -21.512 65 HG23 THR 33 HG23 THR 33 3.786 -15.228 -20.003 66 H ALA 34 H ALA 34 -0.815 -13.075 -21.745 67 HA ALA 34 HA ALA 34 -2.446 -14.805 -23.296 68 HB1 ALA 34 HB1 ALA 34 -2.653 -14.974 -20.322 69 HB2 ALA 34 HB2 ALA 34 -4.097 -15.172 -21.316 70 HB3 ALA 34 HB3 ALA 34 -2.725 -16.259 -21.529 71 HA PRO 35 HA PRO 35 -3.711 -10.333 -22.825 72 HB2 PRO 35 HB2 PRO 35 -3.594 -9.756 -25.475 73 HB3 PRO 35 HB3 PRO 35 -2.198 -9.618 -24.399 74 HG2 PRO 35 HG2 PRO 35 -2.922 -11.825 -26.288 75 HG3 PRO 35 HG3 PRO 35 -1.340 -11.081 -25.990 76 HD2 PRO 35 HD2 PRO 35 -2.062 -13.455 -24.906 77 HD3 PRO 35 HD3 PRO 35 -0.979 -12.317 -24.079 78 H CYS 36 H CYS 36 -5.709 -11.574 -22.254 79 HA CYS 36 HA CYS 36 -7.635 -11.409 -24.469 80 HB2 CYS 36 HB2 CYS 36 -7.631 -13.578 -22.361 81 HB3 CYS 36 HB3 CYS 36 -8.756 -13.422 -23.705 82 H SER 37 H SER 37 -9.939 -11.971 -23.159 83 HA SER 37 HA SER 37 -10.088 -9.791 -21.188 84 HB2 SER 37 HB2 SER 37 -11.429 -9.793 -23.442 85 HB3 SER 37 HB3 SER 37 -12.500 -10.900 -22.584 86 HG SER 37 HG SER 37 -13.308 -9.224 -21.634 87 H ARG 38 H ARG 38 -12.491 -10.274 -20.026 88 HA ARG 38 HA ARG 38 -11.853 -12.305 -18.145 89 HB2 ARG 38 HB2 ARG 38 -13.129 -10.227 -17.615 90 HB3 ARG 38 HB3 ARG 38 -14.489 -10.877 -18.521 91 HG2 ARG 38 HG2 ARG 38 -15.175 -11.664 -16.551 92 HG3 ARG 38 HG3 ARG 38 -13.948 -12.911 -16.787 93 HD2 ARG 38 HD2 ARG 38 -13.085 -12.223 -14.848 94 HD3 ARG 38 HD3 ARG 38 -12.514 -10.810 -15.735 95 HE ARG 38 HE ARG 38 -15.101 -10.240 -14.962 96 HH11 ARG 38 HH11 ARG 38 -12.084 -11.001 -13.402 97 HH12 ARG 38 HH12 ARG 38 -12.441 -10.086 -11.974 98 HH21 ARG 38 HH21 ARG 38 -15.583 -9.032 -13.088 99 HH22 ARG 38 HH22 ARG 38 -14.432 -8.967 -11.797 100 H GLY 39 H GLY 39 -12.059 -14.414 -18.488 101 HA2 GLY 39 HA2 GLY 39 -13.334 -16.371 -18.793 102 HA3 GLY 39 HA3 GLY 39 -14.537 -15.426 -19.657 103 H SER 40 H SER 40 -11.037 -15.932 -20.102 104 HA SER 40 HA SER 40 -11.453 -17.370 -22.560 105 HB2 SER 40 HB2 SER 40 -9.933 -14.797 -22.859 106 HB3 SER 40 HB3 SER 40 -10.673 -15.801 -24.105 107 HG SER 40 HG SER 40 -12.697 -15.101 -23.411 108 H SER 41 H SER 41 -9.483 -18.202 -23.459 109 HA SER 41 HA SER 41 -7.108 -17.916 -21.759 110 HB2 SER 41 HB2 SER 41 -6.815 -20.471 -22.102 111 HB3 SER 41 HB3 SER 41 -7.955 -19.914 -20.877 112 HG SER 41 HG SER 41 -8.814 -20.418 -23.511 113 H TRP 42 H TRP 42 -5.281 -17.684 -22.882 114 HA TRP 42 HA TRP 42 -5.407 -17.861 -25.781 115 HB2 TRP 42 HB2 TRP 42 -4.407 -15.858 -24.977 116 HB3 TRP 42 HB3 TRP 42 -3.366 -16.741 -23.863 117 HD1 TRP 42 HD1 TRP 42 -1.210 -17.972 -24.914 118 HE1 TRP 42 HE1 TRP 42 0.093 -17.547 -27.093 119 HE3 TRP 42 HE3 TRP 42 -4.670 -15.138 -27.390 120 HZ2 TRP 42 HZ2 TRP 42 -0.295 -16.189 -29.537 121 HZ3 TRP 42 HZ3 TRP 42 -4.126 -14.314 -29.644 122 HH2 TRP 42 HH2 TRP 42 -1.983 -14.830 -30.693 123 H SER 43 H SER 43 -4.711 -19.559 -26.888 124 HA SER 43 HA SER 43 -3.005 -21.523 -25.526 125 HB2 SER 43 HB2 SER 43 -5.346 -21.938 -26.828 126 HB3 SER 43 HB3 SER 43 -4.203 -22.213 -28.142 127 HG SER 43 HG SER 43 -3.885 -23.432 -25.614 128 H ALA 44 H ALA 44 -0.983 -21.906 -26.180 129 HA ALA 44 HA ALA 44 0.194 -20.236 -28.192 130 HB1 ALA 44 HB1 ALA 44 1.634 -20.606 -26.425 131 HB2 ALA 44 HB2 ALA 44 1.224 -22.318 -26.312 132 HB3 ALA 44 HB3 ALA 44 2.237 -21.739 -27.634 133 H ASP 45 H ASP 45 -1.352 -23.246 -28.228 134 HA ASP 45 HA ASP 45 0.106 -24.559 -30.268 135 HB2 ASP 45 HB2 ASP 45 -2.434 -24.944 -28.857 136 HB3 ASP 45 HB3 ASP 45 -2.467 -25.503 -30.527 137 H LEU 46 H LEU 46 -3.033 -22.868 -30.439 138 HA LEU 46 HA LEU 46 -2.660 -22.572 -33.328 139 HB2 LEU 46 HB2 LEU 46 -5.023 -22.391 -31.501 140 HB3 LEU 46 HB3 LEU 46 -5.079 -21.671 -33.109 141 HG LEU 46 HG LEU 46 -4.428 -24.575 -32.665 142 HD11 LEU 46 HD11 LEU 46 -6.679 -25.163 -32.883 143 HD12 LEU 46 HD12 LEU 46 -7.148 -23.542 -33.395 144 HD13 LEU 46 HD13 LEU 46 -6.685 -23.837 -31.719 145 HD21 LEU 46 HD21 LEU 46 -5.574 -24.456 -35.059 146 HD22 LEU 46 HD22 LEU 46 -3.850 -24.169 -34.826 147 HD23 LEU 46 HD23 LEU 46 -4.957 -22.805 -34.986 148 H ASP 47 H ASP 47 -2.379 -20.819 -30.438 149 HA ASP 47 HA ASP 47 -1.835 -18.656 -29.987 150 HB2 ASP 47 HB2 ASP 47 -1.557 -18.230 -32.962 151 HB3 ASP 47 HB3 ASP 47 -0.759 -17.347 -31.663 152 H LYS 48 H LYS 48 -4.063 -18.417 -29.320 153 HA LYS 48 HA LYS 48 -5.294 -16.134 -30.416 154 HB2 LYS 48 HB2 LYS 48 -7.239 -16.990 -31.453 155 HB3 LYS 48 HB3 LYS 48 -5.900 -17.897 -32.143 156 HG2 LYS 48 HG2 LYS 48 -7.535 -18.919 -29.840 157 HG3 LYS 48 HG3 LYS 48 -7.957 -19.220 -31.527 158 HD2 LYS 48 HD2 LYS 48 -6.578 -20.964 -31.505 159 HD3 LYS 48 HD3 LYS 48 -5.230 -19.846 -31.282 160 HE2 LYS 48 HE2 LYS 48 -4.879 -20.711 -29.268 161 HE3 LYS 48 HE3 LYS 48 -6.475 -20.153 -28.768 162 HZ1 LYS 48 HZ1 LYS 48 -5.634 -22.813 -29.666 163 HZ2 LYS 48 HZ2 LYS 48 -7.220 -22.321 -29.990 164 HZ3 LYS 48 HZ3 LYS 48 -6.662 -22.381 -28.395 165 H CYS 49 H CYS 49 -7.278 -15.544 -29.281 166 HA CYS 49 HA CYS 49 -7.211 -16.510 -26.545 167 HB2 CYS 49 HB2 CYS 49 -8.510 -14.184 -27.931 168 HB3 CYS 49 HB3 CYS 49 -9.015 -14.650 -26.310 169 H MET 50 H MET 50 -8.201 -18.473 -26.433 170 HA MET 50 HA MET 50 -10.736 -18.943 -27.739 171 HB2 MET 50 HB2 MET 50 -8.991 -20.622 -25.943 172 HB3 MET 50 HB3 MET 50 -10.568 -21.164 -26.502 173 HG2 MET 50 HG2 MET 50 -8.438 -20.280 -28.414 174 HG3 MET 50 HG3 MET 50 -8.508 -21.928 -27.795 175 HE1 MET 50 HE1 MET 50 -10.536 -23.632 -30.233 176 HE2 MET 50 HE2 MET 50 -9.171 -23.546 -29.119 177 HE3 MET 50 HE3 MET 50 -10.816 -23.654 -28.491 178 H ASP 51 H ASP 51 -12.535 -19.950 -26.407 179 HA ASP 51 HA ASP 51 -12.966 -18.273 -24.034 180 HB2 ASP 51 HB2 ASP 51 -14.546 -18.362 -26.147 181 HB3 ASP 51 HB3 ASP 51 -15.174 -19.801 -25.349 182 H CYS 52 H CYS 52 -13.354 -19.138 -22.069 183 HA CYS 52 HA CYS 52 -12.512 -21.690 -21.418 184 HB2 CYS 52 HB2 CYS 52 -13.364 -19.478 -20.010 185 HB3 CYS 52 HB3 CYS 52 -14.596 -20.676 -19.627 186 H ALA 53 H ALA 53 -15.706 -20.566 -22.335 187 HA ALA 53 HA ALA 53 -17.235 -22.764 -21.565 188 HB1 ALA 53 HB1 ALA 53 -18.730 -21.286 -22.303 189 HB2 ALA 53 HB2 ALA 53 -17.547 -20.488 -23.341 190 HB3 ALA 53 HB3 ALA 53 -18.403 -21.918 -23.917 191 H SER 54 H SER 54 -15.007 -22.378 -24.198 192 HA SER 54 HA SER 54 -15.873 -24.345 -25.958 193 HB2 SER 54 HB2 SER 54 -13.062 -23.455 -25.280 194 HB3 SER 54 HB3 SER 54 -13.459 -24.507 -26.638 195 HG SER 54 HG SER 54 -14.822 -22.802 -27.410 196 H CYS 55 H CYS 55 -14.361 -24.635 -22.856 197 HA CYS 55 HA CYS 55 -13.215 -27.147 -22.965 198 HB2 CYS 55 HB2 CYS 55 -14.620 -25.676 -20.747 199 HB3 CYS 55 HB3 CYS 55 -13.934 -27.277 -20.491 200 H ARG 56 H ARG 56 -16.581 -26.259 -22.888 201 HA ARG 56 HA ARG 56 -17.788 -28.581 -22.013 202 HB2 ARG 56 HB2 ARG 56 -19.753 -27.866 -23.135 203 HB3 ARG 56 HB3 ARG 56 -18.904 -26.402 -22.655 204 HG2 ARG 56 HG2 ARG 56 -18.011 -26.196 -24.936 205 HG3 ARG 56 HG3 ARG 56 -18.925 -27.631 -25.404 206 HD2 ARG 56 HD2 ARG 56 -21.000 -26.427 -24.664 207 HD3 ARG 56 HD3 ARG 56 -20.011 -24.980 -24.473 208 HE ARG 56 HE ARG 56 -20.033 -24.716 -26.743 209 HH11 ARG 56 HH11 ARG 56 -20.987 -27.975 -25.975 210 HH12 ARG 56 HH12 ARG 56 -21.415 -28.373 -27.606 211 HH21 ARG 56 HH21 ARG 56 -20.593 -25.228 -28.894 212 HH22 ARG 56 HH22 ARG 56 -21.190 -26.810 -29.266 213 H ALA 57 H ALA 57 -16.258 -27.910 -25.083 214 HA ALA 57 HA ALA 57 -16.976 -30.610 -26.016 215 HB1 ALA 57 HB1 ALA 57 -16.193 -29.647 -28.275 216 HB2 ALA 57 HB2 ALA 57 -17.759 -29.141 -27.639 217 HB3 ALA 57 HB3 ALA 57 -16.361 -28.076 -27.490 218 H ARG 58 H ARG 58 -14.349 -28.419 -25.322 219 HA ARG 58 HA ARG 58 -12.444 -30.593 -25.902 220 HB2 ARG 58 HB2 ARG 58 -12.341 -27.688 -26.519 221 HB3 ARG 58 HB3 ARG 58 -10.839 -28.451 -26.014 222 HG2 ARG 58 HG2 ARG 58 -10.601 -29.552 -27.949 223 HG3 ARG 58 HG3 ARG 58 -12.321 -29.931 -28.061 224 HD2 ARG 58 HD2 ARG 58 -12.601 -27.422 -28.606 225 HD3 ARG 58 HD3 ARG 58 -10.870 -27.460 -28.935 226 HE ARG 58 HE ARG 58 -11.307 -28.568 -30.885 227 HH11 ARG 58 HH11 ARG 58 -14.099 -28.777 -28.816 228 HH12 ARG 58 HH12 ARG 58 -15.101 -29.512 -30.024 229 HH21 ARG 58 HH21 ARG 58 -12.615 -29.536 -32.483 230 HH22 ARG 58 HH22 ARG 58 -14.255 -29.944 -32.109 231 HA PRO 59 HA PRO 59 -12.339 -29.487 -21.369 232 HB2 PRO 59 HB2 PRO 59 -12.537 -32.045 -20.482 233 HB3 PRO 59 HB3 PRO 59 -13.947 -31.040 -20.837 234 HG2 PRO 59 HG2 PRO 59 -12.652 -33.150 -22.521 235 HG3 PRO 59 HG3 PRO 59 -14.376 -32.849 -22.235 236 HD2 PRO 59 HD2 PRO 59 -13.109 -32.035 -24.485 237 HD3 PRO 59 HD3 PRO 59 -14.460 -31.132 -23.770 238 H HIS 60 H HIS 60 -10.601 -31.535 -23.526 239 HA HIS 60 HA HIS 60 -8.349 -31.683 -21.634 240 HB2 HIS 60 HB2 HIS 60 -7.515 -33.497 -23.224 241 HB3 HIS 60 HB3 HIS 60 -8.928 -33.893 -22.251 242 HD1 HIS 60 HD1 HIS 60 -8.807 -32.002 -25.543 243 HD2 HIS 60 HD2 HIS 60 -10.348 -35.500 -23.915 244 HE1 HIS 60 HE1 HIS 60 -10.228 -33.017 -27.353 245 H SER 61 H SER 61 -8.543 -29.274 -22.700 246 HA SER 61 HA SER 61 -6.586 -29.247 -24.905 247 HB2 SER 61 HB2 SER 61 -8.984 -27.539 -24.365 248 HB3 SER 61 HB3 SER 61 -7.605 -26.832 -25.207 249 HG SER 61 HG SER 61 -9.051 -27.723 -26.695 250 H ASP 62 H ASP 62 -5.027 -27.529 -24.893 251 HA ASP 62 HA ASP 62 -3.788 -27.135 -22.414 252 HB2 ASP 62 HB2 ASP 62 -3.450 -25.700 -25.050 253 HB3 ASP 62 HB3 ASP 62 -2.414 -25.415 -23.654 254 H PHE 63 H PHE 63 -5.505 -24.755 -24.443 255 HA PHE 63 HA PHE 63 -5.409 -22.662 -22.573 256 HB2 PHE 63 HB2 PHE 63 -7.193 -21.628 -23.929 257 HB3 PHE 63 HB3 PHE 63 -5.894 -22.266 -24.932 258 HD1 PHE 63 HD1 PHE 63 -9.324 -22.925 -23.722 259 HD2 PHE 63 HD2 PHE 63 -6.313 -23.897 -26.569 260 HE1 PHE 63 HE1 PHE 63 -10.967 -24.225 -25.012 261 HE2 PHE 63 HE2 PHE 63 -7.951 -25.198 -27.864 262 HZ PHE 63 HZ PHE 63 -10.282 -25.363 -27.086 263 H CYS 64 H CYS 64 -7.503 -25.410 -22.873 264 HA CYS 64 HA CYS 64 -9.694 -24.476 -21.366 265 HB2 CYS 64 HB2 CYS 64 -9.743 -26.508 -22.788 266 HB3 CYS 64 HB3 CYS 64 -8.688 -27.317 -21.633 267 H LEU 65 H LEU 65 -6.958 -26.543 -20.382 268 HA LEU 65 HA LEU 65 -7.632 -26.458 -17.620 269 HB2 LEU 65 HB2 LEU 65 -5.085 -27.217 -19.037 270 HB3 LEU 65 HB3 LEU 65 -5.344 -27.407 -17.304 271 HG LEU 65 HG LEU 65 -7.259 -28.704 -19.182 272 HD11 LEU 65 HD11 LEU 65 -4.496 -29.131 -19.395 273 HD12 LEU 65 HD12 LEU 65 -5.796 -30.101 -20.086 274 HD13 LEU 65 HD13 LEU 65 -5.141 -30.508 -18.501 275 HD21 LEU 65 HD21 LEU 65 -7.630 -28.736 -16.754 276 HD22 LEU 65 HD22 LEU 65 -6.069 -29.527 -16.536 277 HD23 LEU 65 HD23 LEU 65 -7.363 -30.354 -17.404 278 H GLY 66 H GLY 66 -5.627 -24.502 -19.711 279 HA2 GLY 66 HA2 GLY 66 -4.239 -23.147 -17.605 280 HA3 GLY 66 HA3 GLY 66 -4.304 -22.659 -19.292 281 H CYS 67 H CYS 67 -7.267 -22.651 -19.269 282 HA CYS 67 HA CYS 67 -7.729 -19.966 -18.808 283 HB2 CYS 67 HB2 CYS 67 -9.260 -21.246 -20.149 284 HB3 CYS 67 HB3 CYS 67 -9.660 -22.289 -18.788 285 H ALA 68 H ALA 68 -9.301 -22.455 -16.815 286 HA ALA 68 HA ALA 68 -9.842 -20.760 -14.661 287 HB1 ALA 68 HB1 ALA 68 -9.733 -23.729 -14.976 288 HB2 ALA 68 HB2 ALA 68 -9.974 -23.017 -13.381 289 HB3 ALA 68 HB3 ALA 68 -11.121 -22.682 -14.678 290 H ALA 69 H ALA 69 -8.695 -20.075 -12.955 291 HA ALA 69 HA ALA 69 -5.873 -20.463 -12.893 292 HB1 ALA 69 HB1 ALA 69 -5.874 -18.988 -11.002 293 HB2 ALA 69 HB2 ALA 69 -7.021 -18.371 -12.191 294 HB3 ALA 69 HB3 ALA 69 -7.606 -19.222 -10.761 295 H ALA 70 H ALA 70 -5.382 -22.607 -12.543 296 HA ALA 70 HA ALA 70 -6.488 -23.983 -10.233 297 HB1 ALA 70 HB1 ALA 70 -5.236 -25.922 -11.050 298 HB2 ALA 70 HB2 ALA 70 -6.244 -25.219 -12.316 299 HB3 ALA 70 HB3 ALA 70 -4.506 -24.920 -12.304 Start of MODEL 17 1 H1 GLY 21 H1 GLY 21 10.086 -1.156 -25.287 2 HA2 GLY 21 HA2 GLY 21 10.246 1.635 -25.631 3 HA3 GLY 21 HA3 GLY 21 9.577 0.815 -24.228 4 H SER 22 H SER 22 10.522 2.700 -23.107 5 HA SER 22 HA SER 22 13.047 1.983 -21.954 6 HB2 SER 22 HB2 SER 22 13.788 3.181 -23.995 7 HB3 SER 22 HB3 SER 22 12.878 4.598 -23.472 8 HG SER 22 HG SER 22 14.326 4.992 -21.948 9 H SER 23 H SER 23 11.644 1.903 -20.127 10 HA SER 23 HA SER 23 11.568 4.364 -18.667 11 HB2 SER 23 HB2 SER 23 9.115 4.352 -18.263 12 HB3 SER 23 HB3 SER 23 9.523 4.683 -19.946 13 HG SER 23 HG SER 23 8.032 3.153 -20.156 14 H GLY 24 H GLY 24 12.064 3.853 -16.643 15 HA2 GLY 24 HA2 GLY 24 12.032 1.127 -15.757 16 HA3 GLY 24 HA3 GLY 24 12.530 2.524 -14.814 17 H SER 25 H SER 25 9.787 0.588 -15.844 18 HA SER 25 HA SER 25 8.278 1.647 -13.545 19 HB2 SER 25 HB2 SER 25 6.690 0.564 -15.785 20 HB3 SER 25 HB3 SER 25 6.409 1.990 -14.787 21 HG SER 25 HG SER 25 7.089 2.148 -17.177 22 H SER 26 H SER 26 7.930 0.146 -12.063 23 HA SER 26 HA SER 26 7.718 -2.665 -12.926 24 HB2 SER 26 HB2 SER 26 8.665 -1.751 -10.207 25 HB3 SER 26 HB3 SER 26 8.793 -3.362 -10.914 26 HG SER 26 HG SER 26 10.599 -1.504 -10.989 27 H GLY 27 H GLY 27 5.805 -3.574 -12.595 28 HA2 GLY 27 HA2 GLY 27 4.257 -3.949 -10.525 29 HA3 GLY 27 HA3 GLY 27 3.912 -2.247 -10.788 30 H GLU 28 H GLU 28 3.617 -1.941 -13.403 31 HA GLU 28 HA GLU 28 1.676 -3.975 -14.263 32 HB2 GLU 28 HB2 GLU 28 1.289 -1.016 -14.008 33 HB3 GLU 28 HB3 GLU 28 0.419 -1.901 -15.252 34 HG2 GLU 28 HG2 GLU 28 -0.544 -3.356 -13.533 35 HG3 GLU 28 HG3 GLU 28 0.307 -2.437 -12.293 36 H GLN 29 H GLN 29 2.513 -4.840 -16.043 37 HA GLN 29 HA GLN 29 3.226 -3.102 -18.259 38 HB2 GLN 29 HB2 GLN 29 5.323 -3.559 -16.895 39 HB3 GLN 29 HB3 GLN 29 5.162 -5.241 -17.382 40 HG2 GLN 29 HG2 GLN 29 5.583 -4.758 -19.624 41 HG3 GLN 29 HG3 GLN 29 5.259 -3.039 -19.407 42 HE21 GLN 29 HE21 GLN 29 7.377 -5.469 -17.912 43 HE22 GLN 29 HE22 GLN 29 8.815 -4.516 -18.001 44 H ALA 30 H ALA 30 1.568 -3.895 -19.479 45 HA ALA 30 HA ALA 30 0.484 -5.294 -20.911 46 HB1 ALA 30 HB1 ALA 30 2.039 -7.530 -21.264 47 HB2 ALA 30 HB2 ALA 30 2.138 -6.045 -22.210 48 HB3 ALA 30 HB3 ALA 30 3.220 -6.292 -20.839 49 HA PRO 31 HA PRO 31 -1.712 -8.259 -18.537 50 HB2 PRO 31 HB2 PRO 31 -2.556 -10.014 -20.429 51 HB3 PRO 31 HB3 PRO 31 -3.221 -8.384 -20.265 52 HG2 PRO 31 HG2 PRO 31 -1.151 -9.402 -22.173 53 HG3 PRO 31 HG3 PRO 31 -2.517 -8.313 -22.480 54 HD2 PRO 31 HD2 PRO 31 0.017 -7.415 -22.156 55 HD3 PRO 31 HD3 PRO 31 -1.402 -6.475 -21.650 56 H GLY 32 H GLY 32 0.648 -9.609 -20.808 57 HA2 GLY 32 HA2 GLY 32 2.385 -10.983 -19.580 58 HA3 GLY 32 HA3 GLY 32 1.010 -11.890 -18.967 59 H THR 33 H THR 33 1.216 -13.847 -19.872 60 HA THR 33 HA THR 33 1.837 -14.036 -22.730 61 HB THR 33 HB THR 33 3.151 -15.420 -21.121 62 HG1 THR 33 HG1 THR 33 3.328 -16.643 -22.829 63 HG21 THR 33 HG21 THR 33 0.843 -15.884 -19.835 64 HG22 THR 33 HG22 THR 33 2.231 -16.966 -19.733 65 HG23 THR 33 HG23 THR 33 0.908 -17.331 -20.841 66 H ALA 34 H ALA 34 -0.796 -13.204 -21.645 67 HA ALA 34 HA ALA 34 -2.415 -14.863 -23.340 68 HB1 ALA 34 HB1 ALA 34 -4.038 -15.500 -21.591 69 HB2 ALA 34 HB2 ALA 34 -2.458 -16.251 -21.364 70 HB3 ALA 34 HB3 ALA 34 -2.931 -14.874 -20.369 71 HA PRO 35 HA PRO 35 -3.642 -10.385 -22.830 72 HB2 PRO 35 HB2 PRO 35 -3.512 -9.785 -25.475 73 HB3 PRO 35 HB3 PRO 35 -2.118 -9.669 -24.394 74 HG2 PRO 35 HG2 PRO 35 -2.857 -11.851 -26.305 75 HG3 PRO 35 HG3 PRO 35 -1.269 -11.125 -25.996 76 HD2 PRO 35 HD2 PRO 35 -2.015 -13.502 -24.936 77 HD3 PRO 35 HD3 PRO 35 -0.925 -12.382 -24.095 78 H CYS 36 H CYS 36 -5.653 -11.614 -22.277 79 HA CYS 36 HA CYS 36 -7.568 -11.422 -24.501 80 HB2 CYS 36 HB2 CYS 36 -7.581 -13.589 -22.390 81 HB3 CYS 36 HB3 CYS 36 -8.722 -13.418 -23.719 82 H SER 37 H SER 37 -9.888 -11.938 -23.217 83 HA SER 37 HA SER 37 -10.026 -9.746 -21.261 84 HB2 SER 37 HB2 SER 37 -12.488 -10.833 -22.546 85 HB3 SER 37 HB3 SER 37 -12.098 -9.177 -22.082 86 HG SER 37 HG SER 37 -11.221 -10.621 -24.351 87 H ARG 38 H ARG 38 -12.424 -10.206 -20.083 88 HA ARG 38 HA ARG 38 -11.787 -12.198 -18.166 89 HB2 ARG 38 HB2 ARG 38 -13.285 -10.002 -18.042 90 HB3 ARG 38 HB3 ARG 38 -14.568 -11.154 -18.389 91 HG2 ARG 38 HG2 ARG 38 -14.471 -12.080 -16.345 92 HG3 ARG 38 HG3 ARG 38 -12.714 -11.948 -16.252 93 HD2 ARG 38 HD2 ARG 38 -13.434 -9.337 -16.159 94 HD3 ARG 38 HD3 ARG 38 -14.807 -10.090 -15.348 95 HE ARG 38 HE ARG 38 -12.680 -11.226 -14.130 96 HH11 ARG 38 HH11 ARG 38 -13.573 -7.924 -14.779 97 HH12 ARG 38 HH12 ARG 38 -12.776 -7.295 -13.375 98 HH21 ARG 38 HH21 ARG 38 -11.628 -10.410 -12.278 99 HH22 ARG 38 HH22 ARG 38 -11.670 -8.710 -11.953 100 H GLY 39 H GLY 39 -12.026 -14.317 -18.387 101 HA2 GLY 39 HA2 GLY 39 -13.236 -16.298 -18.696 102 HA3 GLY 39 HA3 GLY 39 -14.471 -15.384 -19.550 103 H SER 40 H SER 40 -10.974 -15.879 -20.040 104 HA SER 40 HA SER 40 -11.423 -17.323 -22.489 105 HB2 SER 40 HB2 SER 40 -9.890 -14.762 -22.813 106 HB3 SER 40 HB3 SER 40 -10.657 -15.762 -24.046 107 HG SER 40 HG SER 40 -11.656 -13.647 -22.802 108 H SER 41 H SER 41 -9.470 -18.174 -23.402 109 HA SER 41 HA SER 41 -7.073 -17.891 -21.733 110 HB2 SER 41 HB2 SER 41 -8.093 -19.884 -20.874 111 HB3 SER 41 HB3 SER 41 -8.415 -20.490 -22.498 112 HG SER 41 HG SER 41 -5.942 -20.264 -21.155 113 H TRP 42 H TRP 42 -5.255 -17.688 -22.877 114 HA TRP 42 HA TRP 42 -5.418 -17.876 -25.774 115 HB2 TRP 42 HB2 TRP 42 -4.388 -15.880 -24.995 116 HB3 TRP 42 HB3 TRP 42 -3.346 -16.766 -23.884 117 HD1 TRP 42 HD1 TRP 42 -1.216 -18.036 -24.950 118 HE1 TRP 42 HE1 TRP 42 0.073 -17.636 -27.141 119 HE3 TRP 42 HE3 TRP 42 -4.658 -15.162 -27.405 120 HZ2 TRP 42 HZ2 TRP 42 -0.316 -16.282 -29.586 121 HZ3 TRP 42 HZ3 TRP 42 -4.122 -14.354 -29.667 122 HH2 TRP 42 HH2 TRP 42 -1.995 -14.903 -30.733 123 H SER 43 H SER 43 -4.764 -19.594 -26.875 124 HA SER 43 HA SER 43 -3.065 -21.570 -25.525 125 HB2 SER 43 HB2 SER 43 -5.418 -21.953 -26.823 126 HB3 SER 43 HB3 SER 43 -4.278 -22.254 -28.135 127 HG SER 43 HG SER 43 -3.734 -24.064 -27.219 128 H ALA 44 H ALA 44 -1.050 -21.976 -26.188 129 HA ALA 44 HA ALA 44 0.135 -20.324 -28.210 130 HB1 ALA 44 HB1 ALA 44 2.151 -21.900 -27.654 131 HB2 ALA 44 HB2 ALA 44 1.611 -20.690 -26.489 132 HB3 ALA 44 HB3 ALA 44 1.135 -22.377 -26.294 133 H ASP 45 H ASP 45 -1.450 -23.312 -28.235 134 HA ASP 45 HA ASP 45 -0.014 -24.645 -30.278 135 HB2 ASP 45 HB2 ASP 45 -2.550 -25.001 -28.853 136 HB3 ASP 45 HB3 ASP 45 -2.596 -25.566 -30.521 137 H LEU 46 H LEU 46 -3.137 -22.923 -30.434 138 HA LEU 46 HA LEU 46 -2.778 -22.637 -33.326 139 HB2 LEU 46 HB2 LEU 46 -5.128 -22.427 -31.485 140 HB3 LEU 46 HB3 LEU 46 -5.187 -21.710 -33.093 141 HG LEU 46 HG LEU 46 -4.563 -24.619 -32.649 142 HD11 LEU 46 HD11 LEU 46 -6.807 -23.854 -31.690 143 HD12 LEU 46 HD12 LEU 46 -6.820 -25.185 -32.846 144 HD13 LEU 46 HD13 LEU 46 -7.278 -23.563 -33.365 145 HD21 LEU 46 HD21 LEU 46 -5.098 -22.850 -34.970 146 HD22 LEU 46 HD22 LEU 46 -5.721 -24.498 -35.034 147 HD23 LEU 46 HD23 LEU 46 -3.993 -24.217 -34.815 148 H ASP 47 H ASP 47 -2.461 -20.881 -30.441 149 HA ASP 47 HA ASP 47 -1.891 -18.723 -29.999 150 HB2 ASP 47 HB2 ASP 47 -1.650 -18.197 -32.950 151 HB3 ASP 47 HB3 ASP 47 -0.732 -17.486 -31.625 152 H LYS 48 H LYS 48 -4.112 -18.459 -29.318 153 HA LYS 48 HA LYS 48 -5.325 -16.166 -30.412 154 HB2 LYS 48 HB2 LYS 48 -7.286 -17.003 -31.434 155 HB3 LYS 48 HB3 LYS 48 -5.962 -17.927 -32.130 156 HG2 LYS 48 HG2 LYS 48 -7.592 -18.924 -29.813 157 HG3 LYS 48 HG3 LYS 48 -8.030 -19.225 -31.496 158 HD2 LYS 48 HD2 LYS 48 -6.668 -20.983 -31.482 159 HD3 LYS 48 HD3 LYS 48 -5.307 -19.880 -31.267 160 HE2 LYS 48 HE2 LYS 48 -4.954 -20.749 -29.255 161 HE3 LYS 48 HE3 LYS 48 -6.539 -20.169 -28.746 162 HZ1 LYS 48 HZ1 LYS 48 -7.322 -22.329 -29.958 163 HZ2 LYS 48 HZ2 LYS 48 -6.750 -22.395 -28.367 164 HZ3 LYS 48 HZ3 LYS 48 -5.740 -22.841 -29.648 165 H CYS 49 H CYS 49 -7.290 -15.548 -29.263 166 HA CYS 49 HA CYS 49 -7.216 -16.504 -26.525 167 HB2 CYS 49 HB2 CYS 49 -8.530 -14.181 -27.909 168 HB3 CYS 49 HB3 CYS 49 -8.987 -14.629 -26.268 169 H MET 50 H MET 50 -8.222 -18.455 -26.387 170 HA MET 50 HA MET 50 -10.772 -18.910 -27.674 171 HB2 MET 50 HB2 MET 50 -9.023 -20.600 -25.892 172 HB3 MET 50 HB3 MET 50 -10.608 -21.131 -26.438 173 HG2 MET 50 HG2 MET 50 -8.504 -20.257 -28.379 174 HG3 MET 50 HG3 MET 50 -8.549 -21.900 -27.743 175 HE1 MET 50 HE1 MET 50 -9.225 -23.541 -29.042 176 HE2 MET 50 HE2 MET 50 -10.853 -23.645 -28.370 177 HE3 MET 50 HE3 MET 50 -10.619 -23.649 -30.118 178 H ASP 51 H ASP 51 -12.565 -19.901 -26.322 179 HA ASP 51 HA ASP 51 -12.953 -18.224 -23.940 180 HB2 ASP 51 HB2 ASP 51 -14.552 -18.349 -26.076 181 HB3 ASP 51 HB3 ASP 51 -15.226 -19.701 -25.169 182 H CYS 52 H CYS 52 -13.432 -19.090 -21.981 183 HA CYS 52 HA CYS 52 -12.587 -21.651 -21.334 184 HB2 CYS 52 HB2 CYS 52 -13.452 -19.437 -19.926 185 HB3 CYS 52 HB3 CYS 52 -14.673 -20.648 -19.547 186 H ALA 53 H ALA 53 -15.660 -20.557 -22.510 187 HA ALA 53 HA ALA 53 -17.259 -22.728 -21.687 188 HB1 ALA 53 HB1 ALA 53 -18.216 -20.632 -22.477 189 HB2 ALA 53 HB2 ALA 53 -17.578 -20.937 -24.093 190 HB3 ALA 53 HB3 ALA 53 -18.821 -21.993 -23.421 191 H SER 54 H SER 54 -14.933 -22.372 -24.224 192 HA SER 54 HA SER 54 -15.775 -24.328 -26.022 193 HB2 SER 54 HB2 SER 54 -12.965 -23.485 -25.275 194 HB3 SER 54 HB3 SER 54 -13.368 -24.484 -26.671 195 HG SER 54 HG SER 54 -14.100 -21.795 -26.175 196 H CYS 55 H CYS 55 -14.362 -24.622 -22.878 197 HA CYS 55 HA CYS 55 -13.205 -27.126 -22.941 198 HB2 CYS 55 HB2 CYS 55 -14.737 -25.699 -20.774 199 HB3 CYS 55 HB3 CYS 55 -13.997 -27.274 -20.505 200 H ARG 56 H ARG 56 -16.581 -26.261 -22.984 201 HA ARG 56 HA ARG 56 -17.797 -28.606 -22.183 202 HB2 ARG 56 HB2 ARG 56 -18.538 -26.435 -24.089 203 HB3 ARG 56 HB3 ARG 56 -19.518 -27.895 -24.071 204 HG2 ARG 56 HG2 ARG 56 -19.569 -27.484 -21.494 205 HG3 ARG 56 HG3 ARG 56 -19.151 -25.832 -21.954 206 HD2 ARG 56 HD2 ARG 56 -21.113 -25.680 -23.351 207 HD3 ARG 56 HD3 ARG 56 -21.499 -27.374 -23.049 208 HE ARG 56 HE ARG 56 -22.122 -25.155 -21.377 209 HH11 ARG 56 HH11 ARG 56 -21.285 -28.534 -21.332 210 HH12 ARG 56 HH12 ARG 56 -22.072 -28.843 -19.820 211 HH21 ARG 56 HH21 ARG 56 -23.162 -25.549 -19.385 212 HH22 ARG 56 HH22 ARG 56 -23.140 -27.145 -18.714 213 H ALA 57 H ALA 57 -16.117 -27.898 -25.153 214 HA ALA 57 HA ALA 57 -16.822 -30.565 -26.185 215 HB1 ALA 57 HB1 ALA 57 -15.592 -29.227 -28.259 216 HB2 ALA 57 HB2 ALA 57 -17.330 -29.433 -28.037 217 HB3 ALA 57 HB3 ALA 57 -16.534 -27.969 -27.458 218 H ARG 58 H ARG 58 -14.166 -28.358 -25.500 219 HA ARG 58 HA ARG 58 -12.284 -30.587 -25.920 220 HB2 ARG 58 HB2 ARG 58 -12.116 -27.694 -26.564 221 HB3 ARG 58 HB3 ARG 58 -10.648 -28.459 -25.971 222 HG2 ARG 58 HG2 ARG 58 -12.258 -29.401 -28.334 223 HG3 ARG 58 HG3 ARG 58 -10.783 -28.437 -28.420 224 HD2 ARG 58 HD2 ARG 58 -9.703 -30.323 -27.061 225 HD3 ARG 58 HD3 ARG 58 -11.125 -31.272 -27.496 226 HE ARG 58 HE ARG 58 -8.940 -30.526 -29.216 227 HH11 ARG 58 HH11 ARG 58 -12.276 -31.512 -29.067 228 HH12 ARG 58 HH12 ARG 58 -12.295 -32.149 -30.678 229 HH21 ARG 58 HH21 ARG 58 -8.953 -31.362 -31.338 230 HH22 ARG 58 HH22 ARG 58 -10.405 -32.064 -31.969 231 HA PRO 59 HA PRO 59 -12.348 -29.475 -21.393 232 HB2 PRO 59 HB2 PRO 59 -12.571 -32.033 -20.514 233 HB3 PRO 59 HB3 PRO 59 -13.970 -31.034 -20.926 234 HG2 PRO 59 HG2 PRO 59 -12.599 -33.139 -22.555 235 HG3 PRO 59 HG3 PRO 59 -14.335 -32.844 -22.339 236 HD2 PRO 59 HD2 PRO 59 -12.980 -32.027 -24.537 237 HD3 PRO 59 HD3 PRO 59 -14.363 -31.128 -23.878 238 H HIS 60 H HIS 60 -10.508 -31.492 -23.486 239 HA HIS 60 HA HIS 60 -8.344 -31.663 -21.497 240 HB2 HIS 60 HB2 HIS 60 -7.422 -33.440 -23.064 241 HB3 HIS 60 HB3 HIS 60 -8.899 -33.860 -22.202 242 HD1 HIS 60 HD1 HIS 60 -8.187 -32.166 -25.546 243 HD2 HIS 60 HD2 HIS 60 -10.565 -35.140 -23.884 244 HE1 HIS 60 HE1 HIS 60 -9.570 -33.062 -27.446 245 H SER 61 H SER 61 -8.921 -29.289 -23.014 246 HA SER 61 HA SER 61 -6.754 -29.185 -24.980 247 HB2 SER 61 HB2 SER 61 -9.262 -27.714 -24.560 248 HB3 SER 61 HB3 SER 61 -7.894 -26.686 -24.986 249 HG SER 61 HG SER 61 -7.579 -28.432 -26.693 250 H ASP 62 H ASP 62 -5.165 -27.518 -24.909 251 HA ASP 62 HA ASP 62 -3.974 -27.151 -22.402 252 HB2 ASP 62 HB2 ASP 62 -3.554 -25.749 -25.043 253 HB3 ASP 62 HB3 ASP 62 -2.563 -25.426 -23.623 254 H PHE 63 H PHE 63 -5.716 -24.806 -24.441 255 HA PHE 63 HA PHE 63 -5.578 -22.663 -22.631 256 HB2 PHE 63 HB2 PHE 63 -7.486 -21.725 -23.945 257 HB3 PHE 63 HB3 PHE 63 -6.134 -22.257 -24.940 258 HD1 PHE 63 HD1 PHE 63 -9.517 -23.175 -23.769 259 HD2 PHE 63 HD2 PHE 63 -6.414 -23.906 -26.589 260 HE1 PHE 63 HE1 PHE 63 -11.046 -24.587 -25.081 261 HE2 PHE 63 HE2 PHE 63 -7.939 -25.318 -27.906 262 HZ PHE 63 HZ PHE 63 -10.258 -25.661 -27.152 263 H CYS 64 H CYS 64 -7.661 -25.432 -22.793 264 HA CYS 64 HA CYS 64 -9.806 -24.474 -21.238 265 HB2 CYS 64 HB2 CYS 64 -9.827 -26.561 -22.625 266 HB3 CYS 64 HB3 CYS 64 -8.812 -27.324 -21.405 267 H LEU 65 H LEU 65 -7.018 -26.488 -20.297 268 HA LEU 65 HA LEU 65 -7.603 -26.348 -17.516 269 HB2 LEU 65 HB2 LEU 65 -5.079 -27.097 -18.983 270 HB3 LEU 65 HB3 LEU 65 -5.312 -27.279 -17.245 271 HG LEU 65 HG LEU 65 -7.214 -28.616 -19.118 272 HD11 LEU 65 HD11 LEU 65 -4.441 -29.582 -18.447 273 HD12 LEU 65 HD12 LEU 65 -5.103 -29.254 -20.048 274 HD13 LEU 65 HD13 LEU 65 -5.722 -30.605 -19.099 275 HD21 LEU 65 HD21 LEU 65 -6.183 -29.986 -16.747 276 HD22 LEU 65 HD22 LEU 65 -7.844 -29.750 -17.293 277 HD23 LEU 65 HD23 LEU 65 -7.019 -28.471 -16.400 278 H GLY 66 H GLY 66 -5.683 -24.423 -19.715 279 HA2 GLY 66 HA2 GLY 66 -4.247 -23.002 -17.688 280 HA3 GLY 66 HA3 GLY 66 -4.372 -22.554 -19.383 281 H CYS 67 H CYS 67 -7.331 -22.577 -19.265 282 HA CYS 67 HA CYS 67 -7.811 -19.888 -18.852 283 HB2 CYS 67 HB2 CYS 67 -9.371 -21.219 -20.108 284 HB3 CYS 67 HB3 CYS 67 -9.712 -22.233 -18.709 285 H ALA 68 H ALA 68 -9.282 -22.346 -16.745 286 HA ALA 68 HA ALA 68 -9.772 -20.604 -14.616 287 HB1 ALA 68 HB1 ALA 68 -9.641 -23.577 -14.870 288 HB2 ALA 68 HB2 ALA 68 -9.820 -22.837 -13.279 289 HB3 ALA 68 HB3 ALA 68 -11.025 -22.538 -14.531 290 H ALA 69 H ALA 69 -8.664 -20.054 -12.791 291 HA ALA 69 HA ALA 69 -5.794 -20.577 -12.824 292 HB1 ALA 69 HB1 ALA 69 -5.795 -18.838 -10.976 293 HB2 ALA 69 HB2 ALA 69 -6.289 -18.289 -12.578 294 HB3 ALA 69 HB3 ALA 69 -7.505 -18.602 -11.339 295 H ALA 70 H ALA 70 -8.559 -20.872 -10.615 296 HA ALA 70 HA ALA 70 -8.917 -22.169 -8.780 297 HB1 ALA 70 HB1 ALA 70 -7.219 -23.759 -10.529 298 HB2 ALA 70 HB2 ALA 70 -7.068 -24.204 -8.829 299 HB3 ALA 70 HB3 ALA 70 -8.650 -24.224 -9.609 Start of MODEL 18 1 H1 GLY 21 H1 GLY 21 12.564 12.445 -17.868 2 HA2 GLY 21 HA2 GLY 21 14.691 11.699 -16.430 3 HA3 GLY 21 HA3 GLY 21 13.144 12.013 -15.656 4 H SER 22 H SER 22 15.421 9.606 -16.644 5 HA SER 22 HA SER 22 15.673 7.413 -16.094 6 HB2 SER 22 HB2 SER 22 14.756 8.569 -13.820 7 HB3 SER 22 HB3 SER 22 13.486 7.379 -14.101 8 HG SER 22 HG SER 22 15.984 7.004 -13.179 9 H SER 23 H SER 23 14.584 5.286 -16.149 10 HA SER 23 HA SER 23 11.995 5.392 -17.547 11 HB2 SER 23 HB2 SER 23 14.561 4.258 -18.452 12 HB3 SER 23 HB3 SER 23 13.172 3.189 -18.650 13 HG SER 23 HG SER 23 12.133 4.917 -19.769 14 H GLY 24 H GLY 24 10.536 3.796 -17.065 15 HA2 GLY 24 HA2 GLY 24 10.969 1.320 -15.948 16 HA3 GLY 24 HA3 GLY 24 10.904 2.425 -14.583 17 H SER 25 H SER 25 9.007 1.752 -13.689 18 HA SER 25 HA SER 25 6.677 1.052 -15.049 19 HB2 SER 25 HB2 SER 25 6.749 0.440 -12.783 20 HB3 SER 25 HB3 SER 25 7.194 2.065 -12.263 21 HG SER 25 HG SER 25 4.755 0.996 -12.499 22 H SER 26 H SER 26 5.769 2.327 -16.539 23 HA SER 26 HA SER 26 5.028 5.056 -15.731 24 HB2 SER 26 HB2 SER 26 6.885 5.295 -17.263 25 HB3 SER 26 HB3 SER 26 6.129 4.195 -18.415 26 HG SER 26 HG SER 26 4.596 5.710 -18.861 27 H GLY 27 H GLY 27 4.474 2.837 -18.476 28 HA2 GLY 27 HA2 GLY 27 1.712 3.665 -18.650 29 HA3 GLY 27 HA3 GLY 27 2.516 2.483 -19.672 30 H GLU 28 H GLU 28 2.630 0.312 -18.999 31 HA GLU 28 HA GLU 28 1.648 -0.641 -16.538 32 HB2 GLU 28 HB2 GLU 28 -0.433 0.263 -17.973 33 HB3 GLU 28 HB3 GLU 28 -0.322 -1.360 -18.640 34 HG2 GLU 28 HG2 GLU 28 -0.316 -1.011 -15.685 35 HG3 GLU 28 HG3 GLU 28 -1.833 -0.851 -16.568 36 H GLN 29 H GLN 29 2.209 -2.734 -16.273 37 HA GLN 29 HA GLN 29 3.823 -3.991 -18.222 38 HB2 GLN 29 HB2 GLN 29 2.589 -5.048 -15.677 39 HB3 GLN 29 HB3 GLN 29 3.734 -5.954 -16.656 40 HG2 GLN 29 HG2 GLN 29 4.802 -3.362 -16.111 41 HG3 GLN 29 HG3 GLN 29 4.274 -4.111 -14.605 42 HE21 GLN 29 HE21 GLN 29 5.647 -5.431 -13.652 43 HE22 GLN 29 HE22 GLN 29 7.002 -6.200 -14.398 44 H ALA 30 H ALA 30 0.595 -4.832 -16.970 45 HA ALA 30 HA ALA 30 -1.135 -5.996 -17.883 46 HB1 ALA 30 HB1 ALA 30 0.126 -4.647 -20.101 47 HB2 ALA 30 HB2 ALA 30 -0.599 -6.172 -20.609 48 HB3 ALA 30 HB3 ALA 30 -1.583 -4.955 -19.796 49 HA PRO 31 HA PRO 31 0.072 -10.196 -18.272 50 HB2 PRO 31 HB2 PRO 31 -1.956 -11.254 -19.735 51 HB3 PRO 31 HB3 PRO 31 -2.146 -10.755 -18.050 52 HG2 PRO 31 HG2 PRO 31 -2.899 -9.297 -20.554 53 HG3 PRO 31 HG3 PRO 31 -3.811 -9.471 -19.043 54 HD2 PRO 31 HD2 PRO 31 -2.407 -7.236 -19.647 55 HD3 PRO 31 HD3 PRO 31 -2.613 -7.813 -17.981 56 H GLY 32 H GLY 32 1.923 -10.336 -19.484 57 HA2 GLY 32 HA2 GLY 32 1.753 -10.130 -22.392 58 HA3 GLY 32 HA3 GLY 32 3.226 -10.259 -21.443 59 H THR 33 H THR 33 0.702 -12.460 -20.684 60 HA THR 33 HA THR 33 2.105 -14.584 -22.172 61 HB THR 33 HB THR 33 2.606 -14.946 -19.872 62 HG1 THR 33 HG1 THR 33 2.159 -16.947 -20.435 63 HG21 THR 33 HG21 THR 33 0.982 -13.542 -18.801 64 HG22 THR 33 HG22 THR 33 0.782 -15.178 -18.174 65 HG23 THR 33 HG23 THR 33 -0.345 -14.551 -19.377 66 H ALA 34 H ALA 34 -0.959 -13.314 -21.035 67 HA ALA 34 HA ALA 34 -2.328 -14.805 -23.127 68 HB1 ALA 34 HB1 ALA 34 -4.012 -15.720 -21.677 69 HB2 ALA 34 HB2 ALA 34 -2.426 -16.240 -21.105 70 HB3 ALA 34 HB3 ALA 34 -3.284 -14.943 -20.271 71 HA PRO 35 HA PRO 35 -3.736 -10.405 -22.550 72 HB2 PRO 35 HB2 PRO 35 -3.502 -9.734 -25.170 73 HB3 PRO 35 HB3 PRO 35 -2.162 -9.613 -24.024 74 HG2 PRO 35 HG2 PRO 35 -2.760 -11.762 -26.021 75 HG3 PRO 35 HG3 PRO 35 -1.206 -11.007 -25.622 76 HD2 PRO 35 HD2 PRO 35 -1.940 -13.428 -24.657 77 HD3 PRO 35 HD3 PRO 35 -0.916 -12.305 -23.739 78 H CYS 36 H CYS 36 -5.762 -11.591 -22.105 79 HA CYS 36 HA CYS 36 -7.567 -11.434 -24.418 80 HB2 CYS 36 HB2 CYS 36 -7.625 -13.629 -22.337 81 HB3 CYS 36 HB3 CYS 36 -8.731 -13.454 -23.696 82 H SER 37 H SER 37 -9.938 -11.984 -23.266 83 HA SER 37 HA SER 37 -10.214 -9.795 -21.329 84 HB2 SER 37 HB2 SER 37 -12.528 -11.063 -22.762 85 HB3 SER 37 HB3 SER 37 -12.371 -9.420 -22.141 86 HG SER 37 HG SER 37 -11.594 -10.476 -24.560 87 H ARG 38 H ARG 38 -12.621 -10.335 -20.202 88 HA ARG 38 HA ARG 38 -11.946 -12.261 -18.228 89 HB2 ARG 38 HB2 ARG 38 -13.418 -10.156 -18.000 90 HB3 ARG 38 HB3 ARG 38 -14.712 -11.156 -18.645 91 HG2 ARG 38 HG2 ARG 38 -13.165 -12.200 -16.338 92 HG3 ARG 38 HG3 ARG 38 -14.315 -10.892 -16.053 93 HD2 ARG 38 HD2 ARG 38 -16.034 -12.287 -17.243 94 HD3 ARG 38 HD3 ARG 38 -14.868 -13.610 -17.227 95 HE ARG 38 HE ARG 38 -15.074 -12.757 -14.617 96 HH11 ARG 38 HH11 ARG 38 -17.222 -14.035 -17.040 97 HH12 ARG 38 HH12 ARG 38 -18.275 -14.795 -15.893 98 HH21 ARG 38 HH21 ARG 38 -16.453 -13.753 -13.097 99 HH22 ARG 38 HH22 ARG 38 -17.837 -14.633 -13.650 100 H GLY 39 H GLY 39 -12.132 -14.392 -18.374 101 HA2 GLY 39 HA2 GLY 39 -13.219 -16.429 -18.696 102 HA3 GLY 39 HA3 GLY 39 -14.504 -15.581 -19.544 103 H SER 40 H SER 40 -10.993 -15.929 -20.060 104 HA SER 40 HA SER 40 -11.424 -17.372 -22.522 105 HB2 SER 40 HB2 SER 40 -9.909 -14.794 -22.796 106 HB3 SER 40 HB3 SER 40 -10.652 -15.784 -24.051 107 HG SER 40 HG SER 40 -11.931 -13.982 -23.713 108 H SER 41 H SER 41 -9.473 -18.220 -23.424 109 HA SER 41 HA SER 41 -7.082 -17.943 -21.743 110 HB2 SER 41 HB2 SER 41 -8.074 -19.953 -20.915 111 HB3 SER 41 HB3 SER 41 -8.425 -20.529 -22.545 112 HG SER 41 HG SER 41 -6.178 -20.820 -21.079 113 H TRP 42 H TRP 42 -5.247 -17.740 -22.867 114 HA TRP 42 HA TRP 42 -5.396 -17.871 -25.769 115 HB2 TRP 42 HB2 TRP 42 -4.377 -15.884 -24.957 116 HB3 TRP 42 HB3 TRP 42 -3.344 -16.780 -23.847 117 HD1 TRP 42 HD1 TRP 42 -1.198 -18.027 -24.905 118 HE1 TRP 42 HE1 TRP 42 0.113 -17.596 -27.078 119 HE3 TRP 42 HE3 TRP 42 -4.627 -15.138 -27.362 120 HZ2 TRP 42 HZ2 TRP 42 -0.257 -16.213 -29.511 121 HZ3 TRP 42 HZ3 TRP 42 -4.070 -14.301 -29.608 122 HH2 TRP 42 HH2 TRP 42 -1.930 -14.828 -30.658 123 H SER 43 H SER 43 -4.751 -19.585 -26.879 124 HA SER 43 HA SER 43 -3.046 -21.571 -25.554 125 HB2 SER 43 HB2 SER 43 -5.388 -21.944 -26.867 126 HB3 SER 43 HB3 SER 43 -4.244 -22.214 -28.182 127 HG SER 43 HG SER 43 -3.234 -23.791 -26.891 128 H ALA 44 H ALA 44 -1.026 -21.964 -26.211 129 HA ALA 44 HA ALA 44 0.169 -20.278 -28.197 130 HB1 ALA 44 HB1 ALA 44 1.242 -22.494 -26.471 131 HB2 ALA 44 HB2 ALA 44 2.232 -21.637 -27.653 132 HB3 ALA 44 HB3 ALA 44 1.504 -20.757 -26.310 133 H ASP 45 H ASP 45 -1.404 -23.273 -28.276 134 HA ASP 45 HA ASP 45 0.046 -24.571 -30.332 135 HB2 ASP 45 HB2 ASP 45 -2.501 -24.951 -28.931 136 HB3 ASP 45 HB3 ASP 45 -2.535 -25.489 -30.608 137 H LEU 46 H LEU 46 -3.078 -22.848 -30.485 138 HA LEU 46 HA LEU 46 -2.697 -22.517 -33.369 139 HB2 LEU 46 HB2 LEU 46 -5.061 -22.338 -31.542 140 HB3 LEU 46 HB3 LEU 46 -5.108 -21.596 -33.140 141 HG LEU 46 HG LEU 46 -4.486 -24.511 -32.736 142 HD11 LEU 46 HD11 LEU 46 -7.195 -23.443 -33.453 143 HD12 LEU 46 HD12 LEU 46 -6.736 -23.766 -31.781 144 HD13 LEU 46 HD13 LEU 46 -6.742 -25.076 -32.962 145 HD21 LEU 46 HD21 LEU 46 -5.629 -24.348 -35.129 146 HD22 LEU 46 HD22 LEU 46 -3.902 -24.082 -34.891 147 HD23 LEU 46 HD23 LEU 46 -4.995 -22.704 -35.033 148 H ASP 47 H ASP 47 -2.406 -20.806 -30.454 149 HA ASP 47 HA ASP 47 -1.842 -18.654 -29.973 150 HB2 ASP 47 HB2 ASP 47 -1.565 -18.137 -32.929 151 HB3 ASP 47 HB3 ASP 47 -0.709 -17.362 -31.599 152 H LYS 48 H LYS 48 -4.068 -18.400 -29.308 153 HA LYS 48 HA LYS 48 -5.273 -16.092 -30.378 154 HB2 LYS 48 HB2 LYS 48 -7.227 -16.916 -31.427 155 HB3 LYS 48 HB3 LYS 48 -5.895 -17.828 -32.126 156 HG2 LYS 48 HG2 LYS 48 -7.541 -18.863 -29.837 157 HG3 LYS 48 HG3 LYS 48 -7.966 -19.138 -31.528 158 HD2 LYS 48 HD2 LYS 48 -6.603 -20.895 -31.531 159 HD3 LYS 48 HD3 LYS 48 -5.245 -19.793 -31.290 160 HE2 LYS 48 HE2 LYS 48 -4.903 -20.692 -29.289 161 HE3 LYS 48 HE3 LYS 48 -6.492 -20.122 -28.782 162 HZ1 LYS 48 HZ1 LYS 48 -7.231 -22.278 -30.072 163 HZ2 LYS 48 HZ2 LYS 48 -6.754 -22.337 -28.450 164 HZ3 LYS 48 HZ3 LYS 48 -5.667 -22.782 -29.667 165 H CYS 49 H CYS 49 -7.247 -15.491 -29.235 166 HA CYS 49 HA CYS 49 -7.196 -16.494 -26.512 167 HB2 CYS 49 HB2 CYS 49 -8.486 -14.139 -27.865 168 HB3 CYS 49 HB3 CYS 49 -8.960 -14.614 -26.237 169 H MET 50 H MET 50 -8.216 -18.438 -26.411 170 HA MET 50 HA MET 50 -10.762 -18.851 -27.725 171 HB2 MET 50 HB2 MET 50 -9.022 -20.593 -25.985 172 HB3 MET 50 HB3 MET 50 -10.613 -21.102 -26.536 173 HG2 MET 50 HG2 MET 50 -8.457 -20.227 -28.430 174 HG3 MET 50 HG3 MET 50 -8.624 -21.893 -27.881 175 HE1 MET 50 HE1 MET 50 -9.840 -23.448 -28.574 176 HE2 MET 50 HE2 MET 50 -11.393 -23.425 -29.410 177 HE3 MET 50 HE3 MET 50 -9.892 -23.371 -30.335 178 H ASP 51 H ASP 51 -12.564 -19.865 -26.403 179 HA ASP 51 HA ASP 51 -12.961 -18.232 -23.994 180 HB2 ASP 51 HB2 ASP 51 -14.560 -18.269 -26.089 181 HB3 ASP 51 HB3 ASP 51 -15.186 -19.726 -25.322 182 H CYS 52 H CYS 52 -13.364 -19.125 -22.041 183 HA CYS 52 HA CYS 52 -12.525 -21.698 -21.443 184 HB2 CYS 52 HB2 CYS 52 -13.303 -19.507 -19.982 185 HB3 CYS 52 HB3 CYS 52 -14.580 -20.664 -19.619 186 H ALA 53 H ALA 53 -15.625 -20.570 -22.523 187 HA ALA 53 HA ALA 53 -17.227 -22.726 -21.694 188 HB1 ALA 53 HB1 ALA 53 -18.005 -21.592 -24.260 189 HB2 ALA 53 HB2 ALA 53 -18.863 -21.604 -22.718 190 HB3 ALA 53 HB3 ALA 53 -17.649 -20.366 -23.042 191 H SER 54 H SER 54 -14.921 -22.412 -24.256 192 HA SER 54 HA SER 54 -15.802 -24.373 -26.030 193 HB2 SER 54 HB2 SER 54 -12.959 -23.603 -25.327 194 HB3 SER 54 HB3 SER 54 -13.438 -24.531 -26.749 195 HG SER 54 HG SER 54 -13.246 -22.376 -27.324 196 H CYS 55 H CYS 55 -14.337 -24.653 -22.905 197 HA CYS 55 HA CYS 55 -13.218 -27.178 -22.976 198 HB2 CYS 55 HB2 CYS 55 -14.623 -25.654 -20.797 199 HB3 CYS 55 HB3 CYS 55 -13.996 -27.274 -20.508 200 H ARG 56 H ARG 56 -16.574 -26.252 -22.955 201 HA ARG 56 HA ARG 56 -17.819 -28.552 -22.076 202 HB2 ARG 56 HB2 ARG 56 -19.760 -27.826 -23.232 203 HB3 ARG 56 HB3 ARG 56 -18.902 -26.368 -22.754 204 HG2 ARG 56 HG2 ARG 56 -17.888 -26.396 -25.090 205 HG3 ARG 56 HG3 ARG 56 -19.126 -27.592 -25.481 206 HD2 ARG 56 HD2 ARG 56 -20.641 -25.708 -24.291 207 HD3 ARG 56 HD3 ARG 56 -19.370 -24.696 -24.977 208 HE ARG 56 HE ARG 56 -20.405 -26.560 -26.874 209 HH11 ARG 56 HH11 ARG 56 -21.003 -23.496 -25.332 210 HH12 ARG 56 HH12 ARG 56 -21.961 -22.879 -26.636 211 HH21 ARG 56 HH21 ARG 56 -21.665 -25.758 -28.598 212 HH22 ARG 56 HH22 ARG 56 -22.338 -24.166 -28.494 213 H ALA 57 H ALA 57 -16.219 -27.935 -25.117 214 HA ALA 57 HA ALA 57 -16.969 -30.628 -26.047 215 HB1 ALA 57 HB1 ALA 57 -17.006 -29.893 -28.190 216 HB2 ALA 57 HB2 ALA 57 -17.353 -28.356 -27.397 217 HB3 ALA 57 HB3 ALA 57 -15.712 -28.723 -27.930 218 H ARG 58 H ARG 58 -14.312 -28.476 -25.327 219 HA ARG 58 HA ARG 58 -12.443 -30.702 -25.816 220 HB2 ARG 58 HB2 ARG 58 -12.280 -27.832 -26.549 221 HB3 ARG 58 HB3 ARG 58 -10.801 -28.578 -25.961 222 HG2 ARG 58 HG2 ARG 58 -10.642 -30.004 -27.757 223 HG3 ARG 58 HG3 ARG 58 -12.372 -29.935 -28.099 224 HD2 ARG 58 HD2 ARG 58 -10.724 -27.462 -28.367 225 HD3 ARG 58 HD3 ARG 58 -10.654 -28.687 -29.633 226 HE ARG 58 HE ARG 58 -12.829 -26.898 -29.070 227 HH11 ARG 58 HH11 ARG 58 -11.939 -29.965 -30.457 228 HH12 ARG 58 HH12 ARG 58 -13.315 -30.037 -31.507 229 HH21 ARG 58 HH21 ARG 58 -14.644 -26.981 -30.449 230 HH22 ARG 58 HH22 ARG 58 -14.853 -28.338 -31.502 231 HA PRO 59 HA PRO 59 -12.379 -29.488 -21.319 232 HB2 PRO 59 HB2 PRO 59 -12.556 -32.028 -20.379 233 HB3 PRO 59 HB3 PRO 59 -13.974 -31.050 -20.775 234 HG2 PRO 59 HG2 PRO 59 -12.630 -33.178 -22.395 235 HG3 PRO 59 HG3 PRO 59 -14.361 -32.894 -22.138 236 HD2 PRO 59 HD2 PRO 59 -13.074 -32.113 -24.389 237 HD3 PRO 59 HD3 PRO 59 -14.446 -31.212 -23.712 238 H HIS 60 H HIS 60 -10.587 -31.562 -23.408 239 HA HIS 60 HA HIS 60 -8.354 -31.623 -21.488 240 HB2 HIS 60 HB2 HIS 60 -7.484 -33.483 -23.005 241 HB3 HIS 60 HB3 HIS 60 -8.897 -33.861 -22.024 242 HD1 HIS 60 HD1 HIS 60 -8.677 -32.167 -25.426 243 HD2 HIS 60 HD2 HIS 60 -10.396 -35.475 -23.592 244 HE1 HIS 60 HE1 HIS 60 -10.103 -33.250 -27.192 245 H SER 61 H SER 61 -8.597 -29.258 -22.672 246 HA SER 61 HA SER 61 -6.627 -29.289 -24.864 247 HB2 SER 61 HB2 SER 61 -9.115 -27.756 -24.460 248 HB3 SER 61 HB3 SER 61 -7.742 -26.806 -25.026 249 HG SER 61 HG SER 61 -7.537 -28.661 -26.608 250 H ASP 62 H ASP 62 -5.076 -27.560 -24.911 251 HA ASP 62 HA ASP 62 -3.797 -27.112 -22.470 252 HB2 ASP 62 HB2 ASP 62 -3.548 -25.706 -25.131 253 HB3 ASP 62 HB3 ASP 62 -2.497 -25.358 -23.761 254 H PHE 63 H PHE 63 -5.637 -24.795 -24.462 255 HA PHE 63 HA PHE 63 -5.519 -22.673 -22.626 256 HB2 PHE 63 HB2 PHE 63 -7.453 -21.750 -23.913 257 HB3 PHE 63 HB3 PHE 63 -6.102 -22.249 -24.927 258 HD1 PHE 63 HD1 PHE 63 -9.441 -23.279 -23.709 259 HD2 PHE 63 HD2 PHE 63 -6.387 -23.839 -26.620 260 HE1 PHE 63 HE1 PHE 63 -10.960 -24.699 -25.025 261 HE2 PHE 63 HE2 PHE 63 -7.901 -25.259 -27.941 262 HZ PHE 63 HZ PHE 63 -10.190 -25.692 -27.143 263 H CYS 64 H CYS 64 -7.540 -25.482 -22.792 264 HA CYS 64 HA CYS 64 -9.697 -24.581 -21.215 265 HB2 CYS 64 HB2 CYS 64 -9.653 -26.666 -22.628 266 HB3 CYS 64 HB3 CYS 64 -8.656 -27.413 -21.384 267 H LEU 65 H LEU 65 -6.822 -26.489 -20.326 268 HA LEU 65 HA LEU 65 -7.399 -26.406 -17.534 269 HB2 LEU 65 HB2 LEU 65 -4.827 -27.042 -18.973 270 HB3 LEU 65 HB3 LEU 65 -5.141 -27.336 -17.264 271 HG LEU 65 HG LEU 65 -6.752 -28.623 -19.457 272 HD11 LEU 65 HD11 LEU 65 -4.195 -29.083 -19.444 273 HD12 LEU 65 HD12 LEU 65 -5.325 -30.433 -19.540 274 HD13 LEU 65 HD13 LEU 65 -4.557 -30.034 -18.003 275 HD21 LEU 65 HD21 LEU 65 -6.500 -28.934 -16.497 276 HD22 LEU 65 HD22 LEU 65 -6.959 -30.318 -17.489 277 HD23 LEU 65 HD23 LEU 65 -7.949 -28.858 -17.501 278 H GLY 66 H GLY 66 -5.541 -24.422 -19.736 279 HA2 GLY 66 HA2 GLY 66 -4.125 -22.980 -17.709 280 HA3 GLY 66 HA3 GLY 66 -4.272 -22.526 -19.400 281 H CYS 67 H CYS 67 -7.229 -22.617 -19.264 282 HA CYS 67 HA CYS 67 -7.768 -19.943 -18.829 283 HB2 CYS 67 HB2 CYS 67 -9.303 -21.299 -20.087 284 HB3 CYS 67 HB3 CYS 67 -9.613 -22.331 -18.695 285 H ALA 68 H ALA 68 -9.172 -22.448 -16.734 286 HA ALA 68 HA ALA 68 -9.689 -20.734 -14.589 287 HB1 ALA 68 HB1 ALA 68 -9.679 -22.978 -13.269 288 HB2 ALA 68 HB2 ALA 68 -10.900 -22.695 -14.510 289 HB3 ALA 68 HB3 ALA 68 -9.497 -23.701 -14.867 290 H ALA 69 H ALA 69 -8.172 -19.574 -13.584 291 HA ALA 69 HA ALA 69 -5.550 -20.762 -13.057 292 HB1 ALA 69 HB1 ALA 69 -5.192 -18.675 -13.956 293 HB2 ALA 69 HB2 ALA 69 -6.591 -17.967 -13.147 294 HB3 ALA 69 HB3 ALA 69 -5.128 -18.323 -12.229 295 H ALA 70 H ALA 70 -8.282 -19.273 -11.373 296 HA ALA 70 HA ALA 70 -7.294 -20.481 -8.877 297 HB1 ALA 70 HB1 ALA 70 -7.572 -18.579 -7.647 298 HB2 ALA 70 HB2 ALA 70 -7.116 -17.865 -9.194 299 HB3 ALA 70 HB3 ALA 70 -8.813 -17.932 -8.720 Start of MODEL 19 1 H1 GLY 21 H1 GLY 21 1.960 9.912 -28.157 2 HA2 GLY 21 HA2 GLY 21 4.221 10.229 -28.464 3 HA3 GLY 21 HA3 GLY 21 4.434 9.975 -26.738 4 H SER 22 H SER 22 4.768 7.860 -25.950 5 HA SER 22 HA SER 22 5.539 5.916 -28.028 6 HB2 SER 22 HB2 SER 22 6.840 6.108 -25.312 7 HB3 SER 22 HB3 SER 22 7.415 5.244 -26.738 8 HG SER 22 HG SER 22 7.517 7.421 -27.725 9 H SER 23 H SER 23 4.813 3.868 -27.832 10 HA SER 23 HA SER 23 2.941 3.336 -25.648 11 HB2 SER 23 HB2 SER 23 3.287 2.282 -28.423 12 HB3 SER 23 HB3 SER 23 2.513 1.248 -27.222 13 HG SER 23 HG SER 23 1.714 3.896 -27.868 14 H GLY 24 H GLY 24 4.345 2.796 -23.975 15 HA2 GLY 24 HA2 GLY 24 5.191 1.018 -22.689 16 HA3 GLY 24 HA3 GLY 24 5.432 0.094 -24.164 17 H SER 25 H SER 25 6.907 1.975 -21.784 18 HA SER 25 HA SER 25 9.503 1.545 -22.894 19 HB2 SER 25 HB2 SER 25 9.974 4.141 -22.721 20 HB3 SER 25 HB3 SER 25 9.335 3.439 -24.207 21 HG SER 25 HG SER 25 7.197 3.943 -23.084 22 H SER 26 H SER 26 10.932 1.350 -21.285 23 HA SER 26 HA SER 26 11.757 1.228 -19.165 24 HB2 SER 26 HB2 SER 26 10.680 4.020 -19.345 25 HB3 SER 26 HB3 SER 26 11.318 3.435 -17.808 26 HG SER 26 HG SER 26 13.259 3.622 -18.579 27 H GLY 27 H GLY 27 10.083 -0.477 -18.851 28 HA2 GLY 27 HA2 GLY 27 9.075 -0.880 -16.507 29 HA3 GLY 27 HA3 GLY 27 7.935 0.355 -17.021 30 H GLU 28 H GLU 28 6.452 -1.508 -16.497 31 HA GLU 28 HA GLU 28 6.019 -3.076 -18.947 32 HB2 GLU 28 HB2 GLU 28 5.908 -4.037 -16.093 33 HB3 GLU 28 HB3 GLU 28 5.109 -4.895 -17.403 34 HG2 GLU 28 HG2 GLU 28 7.661 -4.521 -18.361 35 HG3 GLU 28 HG3 GLU 28 7.909 -4.838 -16.645 36 H GLN 29 H GLN 29 3.982 -3.073 -19.711 37 HA GLN 29 HA GLN 29 1.769 -2.312 -17.979 38 HB2 GLN 29 HB2 GLN 29 2.801 -0.223 -19.034 39 HB3 GLN 29 HB3 GLN 29 2.192 -0.831 -20.568 40 HG2 GLN 29 HG2 GLN 29 -0.077 -0.960 -19.292 41 HG3 GLN 29 HG3 GLN 29 0.693 0.196 -18.207 42 HE21 GLN 29 HE21 GLN 29 -0.846 1.757 -18.822 43 HE22 GLN 29 HE22 GLN 29 -0.728 2.587 -20.332 44 H ALA 30 H ALA 30 2.097 -4.794 -18.889 45 HA ALA 30 HA ALA 30 -0.257 -5.297 -20.347 46 HB1 ALA 30 HB1 ALA 30 1.757 -6.363 -22.112 47 HB2 ALA 30 HB2 ALA 30 0.355 -5.359 -22.482 48 HB3 ALA 30 HB3 ALA 30 1.876 -4.607 -22.003 49 HA PRO 31 HA PRO 31 0.313 -9.300 -18.645 50 HB2 PRO 31 HB2 PRO 31 -0.919 -10.892 -20.467 51 HB3 PRO 31 HB3 PRO 31 -1.802 -9.811 -19.382 52 HG2 PRO 31 HG2 PRO 31 -1.041 -9.409 -22.249 53 HG3 PRO 31 HG3 PRO 31 -2.574 -9.043 -21.437 54 HD2 PRO 31 HD2 PRO 31 -0.720 -7.144 -21.973 55 HD3 PRO 31 HD3 PRO 31 -1.778 -7.071 -20.549 56 H GLY 32 H GLY 32 0.972 -9.251 -22.151 57 HA2 GLY 32 HA2 GLY 32 2.600 -10.276 -23.403 58 HA3 GLY 32 HA3 GLY 32 3.619 -10.080 -21.985 59 H THR 33 H THR 33 0.697 -11.983 -21.903 60 HA THR 33 HA THR 33 2.119 -14.481 -22.286 61 HB THR 33 HB THR 33 1.198 -15.340 -20.045 62 HG1 THR 33 HG1 THR 33 1.196 -13.517 -18.471 63 HG21 THR 33 HG21 THR 33 3.614 -14.889 -20.621 64 HG22 THR 33 HG22 THR 33 3.216 -14.794 -18.907 65 HG23 THR 33 HG23 THR 33 3.424 -13.316 -19.847 66 H ALA 34 H ALA 34 -0.888 -12.911 -21.252 67 HA ALA 34 HA ALA 34 -2.383 -14.630 -23.060 68 HB1 ALA 34 HB1 ALA 34 -4.080 -14.908 -21.062 69 HB2 ALA 34 HB2 ALA 34 -2.743 -16.036 -21.296 70 HB3 ALA 34 HB3 ALA 34 -2.612 -14.748 -20.098 71 HA PRO 35 HA PRO 35 -3.779 -10.180 -22.793 72 HB2 PRO 35 HB2 PRO 35 -3.598 -9.698 -25.458 73 HB3 PRO 35 HB3 PRO 35 -2.239 -9.482 -24.349 74 HG2 PRO 35 HG2 PRO 35 -2.849 -11.775 -26.174 75 HG3 PRO 35 HG3 PRO 35 -1.296 -10.978 -25.859 76 HD2 PRO 35 HD2 PRO 35 -1.987 -13.330 -24.708 77 HD3 PRO 35 HD3 PRO 35 -0.960 -12.134 -23.893 78 H CYS 36 H CYS 36 -5.760 -11.454 -22.234 79 HA CYS 36 HA CYS 36 -7.628 -11.404 -24.501 80 HB2 CYS 36 HB2 CYS 36 -7.573 -13.542 -22.361 81 HB3 CYS 36 HB3 CYS 36 -8.719 -13.433 -23.693 82 H SER 37 H SER 37 -9.954 -11.983 -23.273 83 HA SER 37 HA SER 37 -10.224 -9.773 -21.353 84 HB2 SER 37 HB2 SER 37 -12.717 -10.840 -22.433 85 HB3 SER 37 HB3 SER 37 -12.119 -9.181 -22.415 86 HG SER 37 HG SER 37 -12.185 -9.748 -24.529 87 H ARG 38 H ARG 38 -12.617 -10.313 -20.206 88 HA ARG 38 HA ARG 38 -11.930 -12.245 -18.245 89 HB2 ARG 38 HB2 ARG 38 -14.305 -10.512 -18.781 90 HB3 ARG 38 HB3 ARG 38 -14.465 -11.835 -17.634 91 HG2 ARG 38 HG2 ARG 38 -13.881 -10.107 -16.249 92 HG3 ARG 38 HG3 ARG 38 -12.301 -10.814 -16.593 93 HD2 ARG 38 HD2 ARG 38 -13.364 -8.634 -18.337 94 HD3 ARG 38 HD3 ARG 38 -12.658 -8.233 -16.773 95 HE ARG 38 HE ARG 38 -10.810 -9.852 -17.960 96 HH11 ARG 38 HH11 ARG 38 -12.410 -6.886 -18.834 97 HH12 ARG 38 HH12 ARG 38 -11.084 -6.299 -19.783 98 HH21 ARG 38 HH21 ARG 38 -9.058 -9.090 -19.206 99 HH22 ARG 38 HH22 ARG 38 -9.179 -7.553 -19.994 100 H GLY 39 H GLY 39 -12.121 -14.376 -18.385 101 HA2 GLY 39 HA2 GLY 39 -13.212 -16.413 -18.704 102 HA3 GLY 39 HA3 GLY 39 -14.494 -15.564 -19.556 103 H SER 40 H SER 40 -10.982 -15.915 -20.065 104 HA SER 40 HA SER 40 -11.408 -17.366 -22.522 105 HB2 SER 40 HB2 SER 40 -9.891 -14.792 -22.816 106 HB3 SER 40 HB3 SER 40 -10.656 -15.781 -24.060 107 HG SER 40 HG SER 40 -12.116 -14.241 -23.851 108 H SER 41 H SER 41 -9.457 -18.217 -23.416 109 HA SER 41 HA SER 41 -7.065 -17.921 -21.741 110 HB2 SER 41 HB2 SER 41 -8.083 -19.928 -20.906 111 HB3 SER 41 HB3 SER 41 -8.377 -20.526 -22.539 112 HG SER 41 HG SER 41 -6.391 -21.205 -21.167 113 H TRP 42 H TRP 42 -5.246 -17.687 -22.877 114 HA TRP 42 HA TRP 42 -5.394 -17.858 -25.775 115 HB2 TRP 42 HB2 TRP 42 -4.384 -15.859 -24.975 116 HB3 TRP 42 HB3 TRP 42 -3.338 -16.745 -23.868 117 HD1 TRP 42 HD1 TRP 42 -1.192 -17.983 -24.935 118 HE1 TRP 42 HE1 TRP 42 0.100 -17.555 -27.119 119 HE3 TRP 42 HE3 TRP 42 -4.656 -15.130 -27.383 120 HZ2 TRP 42 HZ2 TRP 42 -0.296 -16.189 -29.557 121 HZ3 TRP 42 HZ3 TRP 42 -4.122 -14.301 -29.637 122 HH2 TRP 42 HH2 TRP 42 -1.986 -14.821 -30.700 123 H SER 43 H SER 43 -4.720 -19.561 -26.885 124 HA SER 43 HA SER 43 -3.006 -21.530 -25.544 125 HB2 SER 43 HB2 SER 43 -5.355 -21.931 -26.841 126 HB3 SER 43 HB3 SER 43 -4.215 -22.212 -28.156 127 HG SER 43 HG SER 43 -3.173 -23.746 -26.808 128 H ALA 44 H ALA 44 -0.988 -21.915 -26.210 129 HA ALA 44 HA ALA 44 0.182 -20.242 -28.222 130 HB1 ALA 44 HB1 ALA 44 2.217 -21.786 -27.680 131 HB2 ALA 44 HB2 ALA 44 1.651 -20.612 -26.490 132 HB3 ALA 44 HB3 ALA 44 1.206 -22.312 -26.333 133 H ASP 45 H ASP 45 -1.373 -23.246 -28.262 134 HA ASP 45 HA ASP 45 0.071 -24.553 -30.317 135 HB2 ASP 45 HB2 ASP 45 -2.459 -24.941 -28.889 136 HB3 ASP 45 HB3 ASP 45 -2.507 -25.492 -30.561 137 H LEU 46 H LEU 46 -3.067 -22.857 -30.459 138 HA LEU 46 HA LEU 46 -2.712 -22.548 -33.350 139 HB2 LEU 46 HB2 LEU 46 -5.064 -22.373 -31.507 140 HB3 LEU 46 HB3 LEU 46 -5.129 -21.649 -33.113 141 HG LEU 46 HG LEU 46 -4.476 -24.554 -32.683 142 HD11 LEU 46 HD11 LEU 46 -7.201 -23.540 -33.408 143 HD12 LEU 46 HD12 LEU 46 -6.734 -23.795 -31.727 144 HD13 LEU 46 HD13 LEU 46 -6.721 -25.146 -32.859 145 HD21 LEU 46 HD21 LEU 46 -3.914 -24.140 -34.848 146 HD22 LEU 46 HD22 LEU 46 -5.022 -22.776 -34.994 147 HD23 LEU 46 HD23 LEU 46 -5.640 -24.426 -35.068 148 H ASP 47 H ASP 47 -2.382 -20.814 -30.461 149 HA ASP 47 HA ASP 47 -1.847 -18.652 -30.000 150 HB2 ASP 47 HB2 ASP 47 -1.072 -19.013 -32.803 151 HB3 ASP 47 HB3 ASP 47 -1.423 -17.338 -32.383 152 H LYS 48 H LYS 48 -4.068 -18.404 -29.321 153 HA LYS 48 HA LYS 48 -5.298 -16.117 -30.407 154 HB2 LYS 48 HB2 LYS 48 -7.250 -16.963 -31.438 155 HB3 LYS 48 HB3 LYS 48 -5.917 -17.877 -32.133 156 HG2 LYS 48 HG2 LYS 48 -7.549 -18.891 -29.825 157 HG3 LYS 48 HG3 LYS 48 -7.978 -19.190 -31.510 158 HD2 LYS 48 HD2 LYS 48 -6.605 -20.940 -31.496 159 HD3 LYS 48 HD3 LYS 48 -5.252 -19.828 -31.272 160 HE2 LYS 48 HE2 LYS 48 -4.902 -20.700 -29.261 161 HE3 LYS 48 HE3 LYS 48 -6.494 -20.134 -28.757 162 HZ1 LYS 48 HZ1 LYS 48 -7.260 -22.294 -29.975 163 HZ2 LYS 48 HZ2 LYS 48 -6.684 -22.364 -28.385 164 HZ3 LYS 48 HZ3 LYS 48 -5.674 -22.797 -29.671 165 H CYS 49 H CYS 49 -7.275 -15.523 -29.261 166 HA CYS 49 HA CYS 49 -7.196 -16.491 -26.526 167 HB2 CYS 49 HB2 CYS 49 -8.519 -14.170 -27.904 168 HB3 CYS 49 HB3 CYS 49 -8.990 -14.632 -26.271 169 H MET 50 H MET 50 -8.187 -18.449 -26.396 170 HA MET 50 HA MET 50 -10.727 -18.925 -27.694 171 HB2 MET 50 HB2 MET 50 -8.972 -20.599 -25.904 172 HB3 MET 50 HB3 MET 50 -10.551 -21.144 -26.453 173 HG2 MET 50 HG2 MET 50 -8.457 -20.251 -28.396 174 HG3 MET 50 HG3 MET 50 -8.475 -21.891 -27.752 175 HE1 MET 50 HE1 MET 50 -10.492 -23.684 -30.129 176 HE2 MET 50 HE2 MET 50 -9.126 -23.549 -29.022 177 HE3 MET 50 HE3 MET 50 -10.765 -23.681 -28.386 178 H ASP 51 H ASP 51 -12.519 -19.930 -26.353 179 HA ASP 51 HA ASP 51 -12.926 -18.267 -23.963 180 HB2 ASP 51 HB2 ASP 51 -14.539 -18.000 -25.849 181 HB3 ASP 51 HB3 ASP 51 -15.010 -19.684 -25.634 182 H CYS 52 H CYS 52 -13.373 -19.155 -22.014 183 HA CYS 52 HA CYS 52 -12.566 -21.735 -21.404 184 HB2 CYS 52 HB2 CYS 52 -13.382 -19.527 -19.962 185 HB3 CYS 52 HB3 CYS 52 -14.626 -20.717 -19.592 186 H ALA 53 H ALA 53 -15.639 -20.578 -22.528 187 HA ALA 53 HA ALA 53 -17.271 -22.721 -21.721 188 HB1 ALA 53 HB1 ALA 53 -18.299 -21.817 -24.151 189 HB2 ALA 53 HB2 ALA 53 -18.751 -21.276 -22.534 190 HB3 ALA 53 HB3 ALA 53 -17.502 -20.415 -23.435 191 H SER 54 H SER 54 -14.935 -22.418 -24.258 192 HA SER 54 HA SER 54 -15.820 -24.380 -26.036 193 HB2 SER 54 HB2 SER 54 -12.930 -23.782 -25.375 194 HB3 SER 54 HB3 SER 54 -13.567 -24.434 -26.885 195 HG SER 54 HG SER 54 -13.939 -22.473 -27.512 196 H CYS 55 H CYS 55 -14.349 -24.647 -22.913 197 HA CYS 55 HA CYS 55 -13.221 -27.169 -22.980 198 HB2 CYS 55 HB2 CYS 55 -14.626 -25.643 -20.802 199 HB3 CYS 55 HB3 CYS 55 -13.994 -27.261 -20.510 200 H ARG 56 H ARG 56 -16.580 -26.253 -22.954 201 HA ARG 56 HA ARG 56 -17.816 -28.555 -22.066 202 HB2 ARG 56 HB2 ARG 56 -19.762 -27.838 -23.221 203 HB3 ARG 56 HB3 ARG 56 -18.907 -26.376 -22.748 204 HG2 ARG 56 HG2 ARG 56 -17.900 -26.402 -25.085 205 HG3 ARG 56 HG3 ARG 56 -19.129 -27.609 -25.472 206 HD2 ARG 56 HD2 ARG 56 -20.794 -26.093 -25.476 207 HD3 ARG 56 HD3 ARG 56 -20.132 -25.216 -24.097 208 HE ARG 56 HE ARG 56 -18.436 -24.631 -26.152 209 HH11 ARG 56 HH11 ARG 56 -21.869 -24.357 -25.644 210 HH12 ARG 56 HH12 ARG 56 -22.043 -22.973 -26.672 211 HH21 ARG 56 HH21 ARG 56 -18.652 -22.810 -27.508 212 HH22 ARG 56 HH22 ARG 56 -20.212 -22.095 -27.732 213 H ALA 57 H ALA 57 -16.242 -27.933 -25.124 214 HA ALA 57 HA ALA 57 -16.972 -30.637 -26.036 215 HB1 ALA 57 HB1 ALA 57 -17.701 -28.886 -27.553 216 HB2 ALA 57 HB2 ALA 57 -16.052 -28.266 -27.656 217 HB3 ALA 57 HB3 ALA 57 -16.436 -29.862 -28.300 218 H ARG 58 H ARG 58 -14.339 -28.474 -25.305 219 HA ARG 58 HA ARG 58 -12.448 -30.671 -25.829 220 HB2 ARG 58 HB2 ARG 58 -12.314 -27.791 -26.534 221 HB3 ARG 58 HB3 ARG 58 -10.824 -28.538 -25.972 222 HG2 ARG 58 HG2 ARG 58 -10.494 -29.502 -27.937 223 HG3 ARG 58 HG3 ARG 58 -12.107 -30.218 -27.915 224 HD2 ARG 58 HD2 ARG 58 -12.172 -28.886 -29.809 225 HD3 ARG 58 HD3 ARG 58 -12.904 -27.850 -28.585 226 HE ARG 58 HE ARG 58 -11.127 -26.418 -28.782 227 HH11 ARG 58 HH11 ARG 58 -10.323 -29.457 -30.278 228 HH12 ARG 58 HH12 ARG 58 -8.846 -28.875 -30.970 229 HH21 ARG 58 HH21 ARG 58 -9.185 -25.639 -29.689 230 HH22 ARG 58 HH22 ARG 58 -8.199 -26.703 -30.634 231 HA PRO 59 HA PRO 59 -12.376 -29.473 -21.325 232 HB2 PRO 59 HB2 PRO 59 -12.555 -32.016 -20.391 233 HB3 PRO 59 HB3 PRO 59 -13.972 -31.033 -20.779 234 HG2 PRO 59 HG2 PRO 59 -12.639 -33.160 -22.409 235 HG3 PRO 59 HG3 PRO 59 -14.369 -32.872 -22.145 236 HD2 PRO 59 HD2 PRO 59 -13.089 -32.088 -24.399 237 HD3 PRO 59 HD3 PRO 59 -14.456 -31.186 -23.714 238 H HIS 60 H HIS 60 -10.597 -31.545 -23.426 239 HA HIS 60 HA HIS 60 -8.356 -31.615 -21.515 240 HB2 HIS 60 HB2 HIS 60 -7.497 -33.475 -23.040 241 HB3 HIS 60 HB3 HIS 60 -8.906 -33.851 -22.052 242 HD1 HIS 60 HD1 HIS 60 -8.842 -32.060 -25.398 243 HD2 HIS 60 HD2 HIS 60 -10.275 -35.555 -23.669 244 HE1 HIS 60 HE1 HIS 60 -10.244 -33.161 -27.171 245 H SER 61 H SER 61 -8.529 -29.248 -22.633 246 HA SER 61 HA SER 61 -6.581 -29.281 -24.845 247 HB2 SER 61 HB2 SER 61 -9.010 -27.609 -24.381 248 HB3 SER 61 HB3 SER 61 -7.627 -26.860 -25.179 249 HG SER 61 HG SER 61 -7.815 -28.245 -26.844 250 H ASP 62 H ASP 62 -5.033 -27.550 -24.885 251 HA ASP 62 HA ASP 62 -3.776 -27.087 -22.436 252 HB2 ASP 62 HB2 ASP 62 -3.506 -25.651 -25.082 253 HB3 ASP 62 HB3 ASP 62 -2.441 -25.372 -23.707 254 H PHE 63 H PHE 63 -5.598 -24.781 -24.456 255 HA PHE 63 HA PHE 63 -5.503 -22.652 -22.627 256 HB2 PHE 63 HB2 PHE 63 -7.412 -21.728 -23.940 257 HB3 PHE 63 HB3 PHE 63 -6.062 -22.250 -24.943 258 HD1 PHE 63 HD1 PHE 63 -9.447 -23.154 -23.782 259 HD2 PHE 63 HD2 PHE 63 -6.326 -23.935 -26.569 260 HE1 PHE 63 HE1 PHE 63 -10.975 -24.571 -25.090 261 HE2 PHE 63 HE2 PHE 63 -7.850 -25.353 -27.882 262 HZ PHE 63 HZ PHE 63 -10.177 -25.674 -27.142 263 H CYS 64 H CYS 64 -7.535 -25.457 -22.818 264 HA CYS 64 HA CYS 64 -9.701 -24.550 -21.259 265 HB2 CYS 64 HB2 CYS 64 -9.675 -26.626 -22.669 266 HB3 CYS 64 HB3 CYS 64 -8.661 -27.383 -21.444 267 H LEU 65 H LEU 65 -6.864 -26.504 -20.338 268 HA LEU 65 HA LEU 65 -7.461 -26.410 -17.555 269 HB2 LEU 65 HB2 LEU 65 -4.924 -27.101 -19.026 270 HB3 LEU 65 HB3 LEU 65 -5.153 -27.302 -17.290 271 HG LEU 65 HG LEU 65 -6.815 -28.707 -19.376 272 HD11 LEU 65 HD11 LEU 65 -5.319 -30.652 -18.275 273 HD12 LEU 65 HD12 LEU 65 -4.161 -29.323 -18.256 274 HD13 LEU 65 HD13 LEU 65 -4.901 -29.826 -19.776 275 HD21 LEU 65 HD21 LEU 65 -7.487 -30.123 -17.525 276 HD22 LEU 65 HD22 LEU 65 -7.856 -28.436 -17.166 277 HD23 LEU 65 HD23 LEU 65 -6.455 -29.209 -16.423 278 H GLY 66 H GLY 66 -5.587 -24.424 -19.735 279 HA2 GLY 66 HA2 GLY 66 -4.173 -22.999 -17.692 280 HA3 GLY 66 HA3 GLY 66 -4.305 -22.538 -19.383 281 H CYS 67 H CYS 67 -7.264 -22.615 -19.269 282 HA CYS 67 HA CYS 67 -7.791 -19.939 -18.826 283 HB2 CYS 67 HB2 CYS 67 -9.323 -21.281 -20.105 284 HB3 CYS 67 HB3 CYS 67 -9.651 -22.318 -18.721 285 H ALA 68 H ALA 68 -9.228 -22.447 -16.757 286 HA ALA 68 HA ALA 68 -9.756 -20.741 -14.608 287 HB1 ALA 68 HB1 ALA 68 -9.771 -22.991 -13.299 288 HB2 ALA 68 HB2 ALA 68 -10.978 -22.696 -14.552 289 HB3 ALA 68 HB3 ALA 68 -9.577 -23.708 -14.899 290 H ALA 69 H ALA 69 -8.727 -20.392 -12.635 291 HA ALA 69 HA ALA 69 -6.012 -21.422 -12.298 292 HB1 ALA 69 HB1 ALA 69 -5.610 -18.847 -11.551 293 HB2 ALA 69 HB2 ALA 69 -5.186 -19.506 -13.131 294 HB3 ALA 69 HB3 ALA 69 -6.706 -18.637 -12.918 295 H ALA 70 H ALA 70 -8.521 -19.312 -10.910 296 HA ALA 70 HA ALA 70 -8.196 -20.696 -8.355 297 HB1 ALA 70 HB1 ALA 70 -8.315 -17.695 -8.420 298 HB2 ALA 70 HB2 ALA 70 -7.905 -18.754 -7.070 299 HB3 ALA 70 HB3 ALA 70 -6.786 -18.576 -8.422 Start of MODEL 20 1 H1 GLY 21 H1 GLY 21 -12.483 11.937 -18.296 2 HA2 GLY 21 HA2 GLY 21 -10.036 10.708 -19.370 3 HA3 GLY 21 HA3 GLY 21 -10.583 10.606 -17.703 4 H SER 22 H SER 22 -9.869 8.563 -19.828 5 HA SER 22 HA SER 22 -12.382 7.026 -19.749 6 HB2 SER 22 HB2 SER 22 -10.138 7.103 -21.747 7 HB3 SER 22 HB3 SER 22 -11.172 5.680 -21.622 8 HG SER 22 HG SER 22 -12.826 6.790 -22.395 9 H SER 23 H SER 23 -8.894 6.317 -20.004 10 HA SER 23 HA SER 23 -7.593 4.729 -19.021 11 HB2 SER 23 HB2 SER 23 -8.309 6.187 -17.033 12 HB3 SER 23 HB3 SER 23 -9.440 4.892 -16.642 13 HG SER 23 HG SER 23 -6.966 5.013 -15.917 14 H GLY 24 H GLY 24 -8.630 3.282 -20.668 15 HA2 GLY 24 HA2 GLY 24 -10.735 1.532 -20.016 16 HA3 GLY 24 HA3 GLY 24 -9.516 1.246 -21.250 17 H SER 25 H SER 25 -10.483 -0.876 -19.873 18 HA SER 25 HA SER 25 -8.948 -1.505 -17.553 19 HB2 SER 25 HB2 SER 25 -10.825 -2.987 -19.340 20 HB3 SER 25 HB3 SER 25 -9.762 -3.924 -18.291 21 HG SER 25 HG SER 25 -11.638 -3.506 -17.169 22 H SER 26 H SER 26 -6.776 -1.336 -17.938 23 HA SER 26 HA SER 26 -5.505 -3.549 -19.209 24 HB2 SER 26 HB2 SER 26 -4.419 -2.481 -21.026 25 HB3 SER 26 HB3 SER 26 -6.107 -1.987 -21.144 26 HG SER 26 HG SER 26 -4.192 -0.366 -21.205 27 H GLY 27 H GLY 27 -3.650 -3.944 -18.176 28 HA2 GLY 27 HA2 GLY 27 -2.706 -2.010 -16.230 29 HA3 GLY 27 HA3 GLY 27 -2.145 -3.665 -16.417 30 H GLU 28 H GLU 28 0.021 -2.951 -16.232 31 HA GLU 28 HA GLU 28 1.017 -1.542 -18.621 32 HB2 GLU 28 HB2 GLU 28 2.964 -0.877 -17.182 33 HB3 GLU 28 HB3 GLU 28 1.428 -0.161 -16.717 34 HG2 GLU 28 HG2 GLU 28 1.193 -1.747 -14.910 35 HG3 GLU 28 HG3 GLU 28 2.673 -2.566 -15.406 36 H GLN 29 H GLN 29 3.266 -2.128 -19.236 37 HA GLN 29 HA GLN 29 4.706 -3.702 -20.031 38 HB2 GLN 29 HB2 GLN 29 4.310 -4.658 -17.199 39 HB3 GLN 29 HB3 GLN 29 5.467 -5.399 -18.297 40 HG2 GLN 29 HG2 GLN 29 5.898 -2.606 -18.365 41 HG3 GLN 29 HG3 GLN 29 5.770 -3.089 -16.674 42 HE21 GLN 29 HE21 GLN 29 6.970 -5.295 -16.307 43 HE22 GLN 29 HE22 GLN 29 8.591 -5.327 -16.903 44 H ALA 30 H ALA 30 1.923 -4.125 -20.583 45 HA ALA 30 HA ALA 30 0.576 -5.682 -21.554 46 HB1 ALA 30 HB1 ALA 30 1.767 -6.910 -22.962 47 HB2 ALA 30 HB2 ALA 30 3.222 -6.574 -22.023 48 HB3 ALA 30 HB3 ALA 30 2.237 -7.988 -21.647 49 HA PRO 31 HA PRO 31 -1.180 -8.148 -18.378 50 HB2 PRO 31 HB2 PRO 31 -2.382 -10.138 -19.780 51 HB3 PRO 31 HB3 PRO 31 -2.985 -8.477 -19.761 52 HG2 PRO 31 HG2 PRO 31 -1.317 -9.864 -21.824 53 HG3 PRO 31 HG3 PRO 31 -2.702 -8.780 -22.050 54 HD2 PRO 31 HD2 PRO 31 -0.141 -7.950 -22.337 55 HD3 PRO 31 HD3 PRO 31 -1.429 -6.884 -21.741 56 H GLY 32 H GLY 32 0.909 -9.755 -20.693 57 HA2 GLY 32 HA2 GLY 32 2.712 -11.019 -19.369 58 HA3 GLY 32 HA3 GLY 32 1.344 -11.950 -18.778 59 H THR 33 H THR 33 0.894 -13.763 -19.829 60 HA THR 33 HA THR 33 1.802 -14.015 -22.623 61 HB THR 33 HB THR 33 2.242 -16.376 -22.244 62 HG1 THR 33 HG1 THR 33 1.596 -15.885 -19.511 63 HG21 THR 33 HG21 THR 33 3.663 -14.238 -20.962 64 HG22 THR 33 HG22 THR 33 4.298 -15.702 -21.710 65 HG23 THR 33 HG23 THR 33 3.822 -15.714 -20.012 66 H ALA 34 H ALA 34 -0.798 -13.136 -21.696 67 HA ALA 34 HA ALA 34 -2.423 -14.833 -23.312 68 HB1 ALA 34 HB1 ALA 34 -2.225 -15.944 -20.949 69 HB2 ALA 34 HB2 ALA 34 -3.420 -14.725 -20.504 70 HB3 ALA 34 HB3 ALA 34 -3.778 -15.884 -21.784 71 HA PRO 35 HA PRO 35 -3.676 -10.363 -22.797 72 HB2 PRO 35 HB2 PRO 35 -3.553 -9.760 -25.441 73 HB3 PRO 35 HB3 PRO 35 -2.159 -9.636 -24.362 74 HG2 PRO 35 HG2 PRO 35 -2.887 -11.821 -26.274 75 HG3 PRO 35 HG3 PRO 35 -1.303 -11.086 -25.966 76 HD2 PRO 35 HD2 PRO 35 -2.033 -13.469 -24.907 77 HD3 PRO 35 HD3 PRO 35 -0.948 -12.342 -24.067 78 H CYS 36 H CYS 36 -5.679 -11.604 -22.241 79 HA CYS 36 HA CYS 36 -7.600 -11.413 -24.459 80 HB2 CYS 36 HB2 CYS 36 -7.599 -13.599 -22.368 81 HB3 CYS 36 HB3 CYS 36 -8.733 -13.427 -23.704 82 H SER 37 H SER 37 -9.911 -11.969 -23.165 83 HA SER 37 HA SER 37 -10.056 -9.804 -21.178 84 HB2 SER 37 HB2 SER 37 -11.425 -9.930 -23.478 85 HB3 SER 37 HB3 SER 37 -12.531 -10.848 -22.457 86 HG SER 37 HG SER 37 -13.071 -8.680 -22.336 87 H ARG 38 H ARG 38 -12.459 -10.288 -20.019 88 HA ARG 38 HA ARG 38 -11.830 -12.314 -18.137 89 HB2 ARG 38 HB2 ARG 38 -14.108 -11.817 -17.224 90 HB3 ARG 38 HB3 ARG 38 -13.076 -10.404 -17.402 91 HG2 ARG 38 HG2 ARG 38 -14.495 -10.645 -19.812 92 HG3 ARG 38 HG3 ARG 38 -15.660 -10.913 -18.514 93 HD2 ARG 38 HD2 ARG 38 -14.261 -8.789 -17.553 94 HD3 ARG 38 HD3 ARG 38 -14.213 -8.478 -19.288 95 HE ARG 38 HE ARG 38 -16.418 -7.915 -19.185 96 HH11 ARG 38 HH11 ARG 38 -15.647 -9.879 -16.415 97 HH12 ARG 38 HH12 ARG 38 -17.210 -9.699 -15.689 98 HH21 ARG 38 HH21 ARG 38 -18.479 -7.671 -18.239 99 HH22 ARG 38 HH22 ARG 38 -18.820 -8.443 -16.728 100 H GLY 39 H GLY 39 -12.069 -14.430 -18.387 101 HA2 GLY 39 HA2 GLY 39 -13.272 -16.407 -18.741 102 HA3 GLY 39 HA3 GLY 39 -14.499 -15.481 -19.592 103 H SER 40 H SER 40 -10.996 -15.940 -20.062 104 HA SER 40 HA SER 40 -11.413 -17.362 -22.530 105 HB2 SER 40 HB2 SER 40 -9.904 -14.784 -22.823 106 HB3 SER 40 HB3 SER 40 -10.667 -15.775 -24.067 107 HG SER 40 HG SER 40 -11.890 -13.908 -23.664 108 H SER 41 H SER 41 -9.465 -18.221 -23.411 109 HA SER 41 HA SER 41 -7.072 -17.908 -21.740 110 HB2 SER 41 HB2 SER 41 -8.078 -19.913 -20.892 111 HB3 SER 41 HB3 SER 41 -8.385 -20.518 -22.520 112 HG SER 41 HG SER 41 -6.291 -21.000 -21.051 113 H TRP 42 H TRP 42 -5.250 -17.684 -22.876 114 HA TRP 42 HA TRP 42 -5.400 -17.862 -25.774 115 HB2 TRP 42 HB2 TRP 42 -4.385 -15.863 -24.979 116 HB3 TRP 42 HB3 TRP 42 -3.341 -16.749 -23.871 117 HD1 TRP 42 HD1 TRP 42 -1.200 -17.998 -24.939 118 HE1 TRP 42 HE1 TRP 42 0.092 -17.577 -27.125 119 HE3 TRP 42 HE3 TRP 42 -4.656 -15.132 -27.385 120 HZ2 TRP 42 HZ2 TRP 42 -0.301 -16.210 -29.563 121 HZ3 TRP 42 HZ3 TRP 42 -4.120 -14.307 -29.640 122 HH2 TRP 42 HH2 TRP 42 -1.987 -14.835 -30.705 123 H SER 43 H SER 43 -4.724 -19.565 -26.885 124 HA SER 43 HA SER 43 -3.017 -21.537 -25.538 125 HB2 SER 43 HB2 SER 43 -5.366 -21.935 -26.835 126 HB3 SER 43 HB3 SER 43 -4.226 -22.219 -28.150 127 HG SER 43 HG SER 43 -3.875 -24.090 -27.288 128 H ALA 44 H ALA 44 -0.999 -21.926 -26.201 129 HA ALA 44 HA ALA 44 0.176 -20.258 -28.215 130 HB1 ALA 44 HB1 ALA 44 2.210 -21.796 -27.670 131 HB2 ALA 44 HB2 ALA 44 1.637 -20.632 -26.474 132 HB3 ALA 44 HB3 ALA 44 1.198 -22.334 -26.329 133 H ASP 45 H ASP 45 -1.388 -23.257 -28.254 134 HA ASP 45 HA ASP 45 0.056 -24.572 -30.304 135 HB2 ASP 45 HB2 ASP 45 -2.475 -24.952 -28.877 136 HB3 ASP 45 HB3 ASP 45 -2.523 -25.505 -30.549 137 H LEU 46 H LEU 46 -3.078 -22.869 -30.451 138 HA LEU 46 HA LEU 46 -2.720 -22.566 -33.342 139 HB2 LEU 46 HB2 LEU 46 -5.074 -22.384 -31.502 140 HB3 LEU 46 HB3 LEU 46 -5.137 -21.662 -33.108 141 HG LEU 46 HG LEU 46 -4.488 -24.567 -32.675 142 HD11 LEU 46 HD11 LEU 46 -6.745 -23.806 -31.720 143 HD12 LEU 46 HD12 LEU 46 -6.734 -25.156 -32.853 144 HD13 LEU 46 HD13 LEU 46 -7.212 -23.550 -33.402 145 HD21 LEU 46 HD21 LEU 46 -5.035 -22.793 -34.989 146 HD22 LEU 46 HD22 LEU 46 -5.647 -24.445 -35.059 147 HD23 LEU 46 HD23 LEU 46 -3.922 -24.153 -34.839 148 H ASP 47 H ASP 47 -2.390 -20.828 -30.455 149 HA ASP 47 HA ASP 47 -1.851 -18.666 -29.996 150 HB2 ASP 47 HB2 ASP 47 -1.076 -19.031 -32.799 151 HB3 ASP 47 HB3 ASP 47 -1.424 -17.356 -32.380 152 H LYS 48 H LYS 48 -4.073 -18.415 -29.319 153 HA LYS 48 HA LYS 48 -5.299 -16.127 -30.407 154 HB2 LYS 48 HB2 LYS 48 -7.251 -16.971 -31.440 155 HB3 LYS 48 HB3 LYS 48 -5.919 -17.888 -32.133 156 HG2 LYS 48 HG2 LYS 48 -7.555 -18.898 -29.825 157 HG3 LYS 48 HG3 LYS 48 -7.983 -19.198 -31.511 158 HD2 LYS 48 HD2 LYS 48 -6.612 -20.949 -31.493 159 HD3 LYS 48 HD3 LYS 48 -5.258 -19.839 -31.269 160 HE2 LYS 48 HE2 LYS 48 -4.911 -20.708 -29.256 161 HE3 LYS 48 HE3 LYS 48 -6.503 -20.141 -28.755 162 HZ1 LYS 48 HZ1 LYS 48 -6.678 -22.377 -28.379 163 HZ2 LYS 48 HZ2 LYS 48 -5.689 -22.804 -29.683 164 HZ3 LYS 48 HZ3 LYS 48 -7.278 -22.297 -29.958 165 H CYS 49 H CYS 49 -7.276 -15.530 -29.263 166 HA CYS 49 HA CYS 49 -7.200 -16.495 -26.528 167 HB2 CYS 49 HB2 CYS 49 -8.520 -14.175 -27.908 168 HB3 CYS 49 HB3 CYS 49 -8.993 -14.635 -26.276 169 H MET 50 H MET 50 -8.194 -18.451 -26.391 170 HA MET 50 HA MET 50 -10.733 -18.927 -27.691 171 HB2 MET 50 HB2 MET 50 -8.979 -20.600 -25.898 172 HB3 MET 50 HB3 MET 50 -10.559 -21.144 -26.446 173 HG2 MET 50 HG2 MET 50 -8.466 -20.255 -28.392 174 HG3 MET 50 HG3 MET 50 -8.482 -21.894 -27.743 175 HE1 MET 50 HE1 MET 50 -10.764 -23.689 -28.366 176 HE2 MET 50 HE2 MET 50 -10.506 -23.696 -30.111 177 HE3 MET 50 HE3 MET 50 -9.130 -23.555 -29.017 178 H ASP 51 H ASP 51 -12.526 -19.929 -26.349 179 HA ASP 51 HA ASP 51 -12.935 -18.259 -23.965 180 HB2 ASP 51 HB2 ASP 51 -14.517 -18.310 -26.085 181 HB3 ASP 51 HB3 ASP 51 -15.176 -19.733 -25.282 182 H CYS 52 H CYS 52 -13.390 -19.138 -22.012 183 HA CYS 52 HA CYS 52 -12.572 -21.712 -21.388 184 HB2 CYS 52 HB2 CYS 52 -13.400 -19.501 -19.958 185 HB3 CYS 52 HB3 CYS 52 -14.642 -20.693 -19.587 186 H ALA 53 H ALA 53 -15.646 -20.575 -22.529 187 HA ALA 53 HA ALA 53 -17.269 -22.724 -21.715 188 HB1 ALA 53 HB1 ALA 53 -17.932 -20.442 -22.715 189 HB2 ALA 53 HB2 ALA 53 -17.728 -21.239 -24.275 190 HB3 ALA 53 HB3 ALA 53 -18.906 -21.856 -23.117 191 H SER 54 H SER 54 -14.930 -22.414 -24.248 192 HA SER 54 HA SER 54 -15.802 -24.378 -26.029 193 HB2 SER 54 HB2 SER 54 -12.995 -23.505 -25.311 194 HB3 SER 54 HB3 SER 54 -13.380 -24.562 -26.669 195 HG SER 54 HG SER 54 -13.997 -21.842 -26.298 196 H CYS 55 H CYS 55 -14.346 -24.645 -22.898 197 HA CYS 55 HA CYS 55 -13.217 -27.167 -22.961 198 HB2 CYS 55 HB2 CYS 55 -14.635 -25.645 -20.789 199 HB3 CYS 55 HB3 CYS 55 -14.000 -27.261 -20.496 200 H ARG 56 H ARG 56 -16.577 -26.253 -22.952 201 HA ARG 56 HA ARG 56 -17.816 -28.555 -22.071 202 HB2 ARG 56 HB2 ARG 56 -19.756 -27.838 -23.235 203 HB3 ARG 56 HB3 ARG 56 -18.904 -26.376 -22.757 204 HG2 ARG 56 HG2 ARG 56 -17.910 -26.330 -25.066 205 HG3 ARG 56 HG3 ARG 56 -19.035 -27.623 -25.487 206 HD2 ARG 56 HD2 ARG 56 -20.515 -25.598 -24.177 207 HD3 ARG 56 HD3 ARG 56 -19.494 -24.811 -25.380 208 HE ARG 56 HE ARG 56 -21.752 -26.511 -25.871 209 HH11 ARG 56 HH11 ARG 56 -18.746 -25.323 -27.164 210 HH12 ARG 56 HH12 ARG 56 -19.206 -25.576 -28.815 211 HH21 ARG 56 HH21 ARG 56 -22.369 -26.849 -28.041 212 HH22 ARG 56 HH22 ARG 56 -21.267 -26.443 -29.313 213 H ALA 57 H ALA 57 -16.230 -27.930 -25.123 214 HA ALA 57 HA ALA 57 -16.952 -30.635 -26.038 215 HB1 ALA 57 HB1 ALA 57 -16.878 -28.105 -27.385 216 HB2 ALA 57 HB2 ALA 57 -15.770 -29.237 -28.163 217 HB3 ALA 57 HB3 ALA 57 -17.470 -29.663 -27.963 218 H ARG 58 H ARG 58 -14.316 -28.443 -25.355 219 HA ARG 58 HA ARG 58 -12.421 -30.643 -25.861 220 HB2 ARG 58 HB2 ARG 58 -12.295 -27.757 -26.546 221 HB3 ARG 58 HB3 ARG 58 -10.804 -28.505 -25.989 222 HG2 ARG 58 HG2 ARG 58 -10.582 -29.778 -27.850 223 HG3 ARG 58 HG3 ARG 58 -12.324 -29.941 -28.080 224 HD2 ARG 58 HD2 ARG 58 -12.124 -27.342 -28.559 225 HD3 ARG 58 HD3 ARG 58 -10.473 -27.798 -28.979 226 HE ARG 58 HE ARG 58 -12.342 -29.517 -30.238 227 HH11 ARG 58 HH11 ARG 58 -11.010 -26.305 -30.403 228 HH12 ARG 58 HH12 ARG 58 -11.283 -26.138 -32.105 229 HH21 ARG 58 HH21 ARG 58 -12.707 -29.309 -32.480 230 HH22 ARG 58 HH22 ARG 58 -12.249 -27.847 -33.286 231 HA PRO 59 HA PRO 59 -12.362 -29.465 -21.349 232 HB2 PRO 59 HB2 PRO 59 -12.546 -32.012 -20.427 233 HB3 PRO 59 HB3 PRO 59 -13.961 -31.026 -20.813 234 HG2 PRO 59 HG2 PRO 59 -12.627 -33.147 -22.450 235 HG3 PRO 59 HG3 PRO 59 -14.357 -32.858 -22.188 236 HD2 PRO 59 HD2 PRO 59 -13.072 -32.066 -24.436 237 HD3 PRO 59 HD3 PRO 59 -14.439 -31.166 -23.751 238 H HIS 60 H HIS 60 -10.581 -31.530 -23.456 239 HA HIS 60 HA HIS 60 -8.346 -31.617 -21.539 240 HB2 HIS 60 HB2 HIS 60 -7.483 -33.462 -23.079 241 HB3 HIS 60 HB3 HIS 60 -8.896 -33.847 -22.101 242 HD1 HIS 60 HD1 HIS 60 -8.795 -32.033 -25.436 243 HD2 HIS 60 HD2 HIS 60 -10.279 -35.520 -23.734 244 HE1 HIS 60 HE1 HIS 60 -10.194 -33.111 -27.225 245 H SER 61 H SER 61 -8.528 -29.238 -22.646 246 HA SER 61 HA SER 61 -6.561 -29.250 -24.841 247 HB2 SER 61 HB2 SER 61 -9.023 -27.637 -24.410 248 HB3 SER 61 HB3 SER 61 -7.635 -26.810 -25.117 249 HG SER 61 HG SER 61 -7.706 -28.131 -26.844 250 H ASP 62 H ASP 62 -5.014 -27.521 -24.857 251 HA ASP 62 HA ASP 62 -3.786 -27.064 -22.390 252 HB2 ASP 62 HB2 ASP 62 -3.481 -25.714 -25.070 253 HB3 ASP 62 HB3 ASP 62 -2.488 -25.282 -23.681 254 H PHE 63 H PHE 63 -5.601 -24.769 -24.428 255 HA PHE 63 HA PHE 63 -5.518 -22.630 -22.609 256 HB2 PHE 63 HB2 PHE 63 -7.422 -21.716 -23.932 257 HB3 PHE 63 HB3 PHE 63 -6.071 -22.244 -24.930 258 HD1 PHE 63 HD1 PHE 63 -9.448 -23.167 -23.750 259 HD2 PHE 63 HD2 PHE 63 -6.342 -23.916 -26.563 260 HE1 PHE 63 HE1 PHE 63 -10.974 -24.593 -25.051 261 HE2 PHE 63 HE2 PHE 63 -7.863 -25.342 -27.868 262 HZ PHE 63 HZ PHE 63 -10.183 -25.682 -27.113 263 H CYS 64 H CYS 64 -7.540 -25.442 -22.793 264 HA CYS 64 HA CYS 64 -9.713 -24.535 -21.244 265 HB2 CYS 64 HB2 CYS 64 -9.678 -26.617 -22.644 266 HB3 CYS 64 HB3 CYS 64 -8.664 -27.365 -21.415 267 H LEU 65 H LEU 65 -6.893 -26.504 -20.300 268 HA LEU 65 HA LEU 65 -7.494 -26.382 -17.521 269 HB2 LEU 65 HB2 LEU 65 -4.917 -27.059 -18.932 270 HB3 LEU 65 HB3 LEU 65 -5.241 -27.327 -17.220 271 HG LEU 65 HG LEU 65 -7.079 -28.590 -19.181 272 HD11 LEU 65 HD11 LEU 65 -5.454 -30.554 -19.228 273 HD12 LEU 65 HD12 LEU 65 -4.216 -29.388 -18.764 274 HD13 LEU 65 HD13 LEU 65 -5.098 -29.183 -20.277 275 HD21 LEU 65 HD21 LEU 65 -7.162 -28.678 -16.606 276 HD22 LEU 65 HD22 LEU 65 -5.816 -29.808 -16.753 277 HD23 LEU 65 HD23 LEU 65 -7.366 -30.180 -17.509 278 H GLY 66 H GLY 66 -5.618 -24.410 -19.709 279 HA2 GLY 66 HA2 GLY 66 -4.199 -22.981 -17.671 280 HA3 GLY 66 HA3 GLY 66 -4.326 -22.530 -19.365 281 H CYS 67 H CYS 67 -7.285 -22.596 -19.256 282 HA CYS 67 HA CYS 67 -7.803 -19.915 -18.829 283 HB2 CYS 67 HB2 CYS 67 -9.335 -21.255 -20.109 284 HB3 CYS 67 HB3 CYS 67 -9.673 -22.286 -18.722 285 H ALA 68 H ALA 68 -9.258 -22.409 -16.755 286 HA ALA 68 HA ALA 68 -9.787 -20.691 -14.616 287 HB1 ALA 68 HB1 ALA 68 -11.017 -22.643 -14.564 288 HB2 ALA 68 HB2 ALA 68 -9.614 -23.662 -14.888 289 HB3 ALA 68 HB3 ALA 68 -9.824 -22.932 -13.297 290 H ALA 69 H ALA 69 -8.785 -20.416 -12.594 291 HA ALA 69 HA ALA 69 -5.964 -21.244 -12.450 292 HB1 ALA 69 HB1 ALA 69 -6.659 -18.628 -11.267 293 HB2 ALA 69 HB2 ALA 69 -5.192 -19.147 -12.098 294 HB3 ALA 69 HB3 ALA 69 -6.626 -18.713 -13.028 295 H ALA 70 H ALA 70 -5.371 -22.135 -10.571 296 HA ALA 70 HA ALA 70 -6.724 -21.490 -8.098 297 HB1 ALA 70 HB1 ALA 70 -7.923 -23.440 -9.467 298 HB2 ALA 70 HB2 ALA 70 -6.695 -24.399 -8.639 299 HB3 ALA 70 HB3 ALA 70 -7.833 -23.427 -7.706
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