NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595699 | 2n5s | 25729 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 39 H GLY 39 1.811 -0.001 0.854 2 HA2 GLY 39 HA2 GLY 39 2.162 1.018 -1.599 3 HA3 GLY 39 HA3 GLY 39 3.060 -0.395 -1.065 4 H SER 40 H SER 40 -0.196 0.371 -2.307 5 HA SER 40 HA SER 40 -0.244 -2.183 -3.710 6 HB2 SER 40 HB2 SER 40 -2.422 -0.097 -3.746 7 HB3 SER 40 HB3 SER 40 -2.566 -1.834 -4.015 8 HG SER 40 HG SER 40 -3.128 -1.767 -1.971 9 H CYS 41 H CYS 41 -0.862 -2.291 -5.977 10 HA CYS 41 HA CYS 41 -0.029 0.075 -7.518 11 HB2 CYS 41 HB2 CYS 41 0.748 -2.810 -7.955 12 HB3 CYS 41 HB3 CYS 41 0.947 -1.568 -9.185 13 HG CYS 41 HG CYS 41 3.451 -1.805 -8.212 14 H LYS 42 H LYS 42 -0.975 0.311 -9.592 15 HA LYS 42 HA LYS 42 -3.020 -1.512 -10.473 16 HB2 LYS 42 HB2 LYS 42 -4.908 -0.083 -10.246 17 HB3 LYS 42 HB3 LYS 42 -4.127 -0.135 -8.671 18 HG2 LYS 42 HG2 LYS 42 -4.421 2.093 -8.782 19 HG3 LYS 42 HG3 LYS 42 -2.910 2.021 -9.691 20 HD2 LYS 42 HD2 LYS 42 -3.921 2.492 -11.668 21 HD3 LYS 42 HD3 LYS 42 -5.405 1.639 -11.235 22 HE2 LYS 42 HE2 LYS 42 -5.862 3.999 -11.401 23 HE3 LYS 42 HE3 LYS 42 -5.984 3.501 -9.715 24 HZ1 LYS 42 HZ1 LYS 42 -4.210 4.732 -9.129 25 HZ2 LYS 42 HZ2 LYS 42 -4.608 5.622 -10.511 26 HZ3 LYS 42 HZ3 LYS 42 -3.380 4.460 -10.579 27 H ILE 43 H ILE 43 -3.321 -1.370 -12.628 28 HA ILE 43 HA ILE 43 -1.715 0.563 -14.077 29 HB ILE 43 HB ILE 43 -3.426 -1.682 -15.152 30 HG12 ILE 43 HG12 ILE 43 -0.927 -2.552 -15.530 31 HG13 ILE 43 HG13 ILE 43 -0.643 -1.565 -14.100 32 HG21 ILE 43 HG21 ILE 43 -2.925 0.147 -16.749 33 HG22 ILE 43 HG22 ILE 43 -1.206 -0.146 -16.491 34 HG23 ILE 43 HG23 ILE 43 -2.216 -1.399 -17.212 35 HD11 ILE 43 HD11 ILE 43 -1.877 -2.927 -12.749 36 HD12 ILE 43 HD12 ILE 43 -2.898 -3.498 -14.069 37 HD13 ILE 43 HD13 ILE 43 -1.250 -4.103 -13.904 38 HA PRO 44 HA PRO 44 -5.078 3.329 -14.840 39 HB2 PRO 44 HB2 PRO 44 -3.917 4.757 -16.836 40 HB3 PRO 44 HB3 PRO 44 -3.470 4.943 -15.136 41 HG2 PRO 44 HG2 PRO 44 -2.108 3.376 -17.292 42 HG3 PRO 44 HG3 PRO 44 -1.396 4.417 -16.045 43 HD2 PRO 44 HD2 PRO 44 -1.444 1.717 -15.837 44 HD3 PRO 44 HD3 PRO 44 -1.543 2.786 -14.423 45 H SER 45 H SER 45 -6.059 4.321 -17.012 46 HA SER 45 HA SER 45 -6.715 2.003 -18.695 47 HB2 SER 45 HB2 SER 45 -8.320 4.541 -18.642 48 HB3 SER 45 HB3 SER 45 -8.847 2.902 -19.024 49 HG SER 45 HG SER 45 -9.408 2.763 -17.016 50 H ILE 46 H ILE 46 -5.524 5.280 -18.748 51 HA ILE 46 HA ILE 46 -5.773 5.844 -21.476 52 HB ILE 46 HB ILE 46 -3.605 6.757 -19.581 53 HG12 ILE 46 HG12 ILE 46 -5.287 8.871 -19.914 54 HG13 ILE 46 HG13 ILE 46 -6.424 7.531 -19.995 55 HG21 ILE 46 HG21 ILE 46 -4.463 7.771 -22.283 56 HG22 ILE 46 HG22 ILE 46 -3.452 8.690 -21.169 57 HG23 ILE 46 HG23 ILE 46 -2.879 7.153 -21.815 58 HD11 ILE 46 HD11 ILE 46 -5.660 8.729 -17.715 59 HD12 ILE 46 HD12 ILE 46 -6.216 7.058 -17.813 60 HD13 ILE 46 HD13 ILE 46 -4.489 7.413 -17.789 61 H ALA 47 H ALA 47 -3.767 3.606 -19.861 62 HA ALA 47 HA ALA 47 -1.905 3.436 -22.119 63 HB1 ALA 47 HB1 ALA 47 -1.634 3.057 -19.309 64 HB2 ALA 47 HB2 ALA 47 -1.240 1.544 -20.127 65 HB3 ALA 47 HB3 ALA 47 -0.387 3.027 -20.556 66 H THR 48 H THR 48 -4.576 1.824 -20.648 67 HA THR 48 HA THR 48 -4.160 -0.791 -21.602 68 HB THR 48 HB THR 48 -6.555 -1.145 -21.249 69 HG1 THR 48 HG1 THR 48 -7.859 0.495 -21.475 70 HG21 THR 48 HG21 THR 48 -5.587 -1.377 -19.198 71 HG22 THR 48 HG22 THR 48 -6.594 0.029 -18.851 72 HG23 THR 48 HG23 THR 48 -4.884 0.239 -19.226 73 H GLY 49 H GLY 49 -6.236 1.800 -22.923 74 HA2 GLY 49 HA2 GLY 49 -7.130 0.556 -25.203 75 HA3 GLY 49 HA3 GLY 49 -6.817 2.282 -25.096 76 H MET 50 H MET 50 -4.038 2.232 -24.761 77 HA MET 50 HA MET 50 -3.179 2.067 -27.432 78 HB2 MET 50 HB2 MET 50 -1.712 2.333 -24.819 79 HB3 MET 50 HB3 MET 50 -0.851 2.244 -26.350 80 HG2 MET 50 HG2 MET 50 -3.014 4.261 -25.881 81 HG3 MET 50 HG3 MET 50 -1.350 4.550 -25.380 82 HE1 MET 50 HE1 MET 50 -3.097 3.930 -29.467 83 HE2 MET 50 HE2 MET 50 -3.872 3.961 -27.883 84 HE3 MET 50 HE3 MET 50 -3.538 5.472 -28.732 85 H VAL 51 H VAL 51 -2.579 -0.073 -24.659 86 HA VAL 51 HA VAL 51 -0.892 -1.904 -25.893 87 HB VAL 51 HB VAL 51 -2.983 -2.574 -23.819 88 HG11 VAL 51 HG11 VAL 51 -1.620 -4.416 -23.236 89 HG12 VAL 51 HG12 VAL 51 -1.761 -4.450 -24.995 90 HG13 VAL 51 HG13 VAL 51 -0.287 -3.842 -24.239 91 HG21 VAL 51 HG21 VAL 51 -1.901 -1.275 -22.381 92 HG22 VAL 51 HG22 VAL 51 -0.419 -2.186 -22.672 93 HG23 VAL 51 HG23 VAL 51 -0.790 -0.770 -23.654 94 H GLY 52 H GLY 52 -4.424 -2.217 -25.442 95 HA2 GLY 52 HA2 GLY 52 -4.839 -4.538 -26.865 96 HA3 GLY 52 HA3 GLY 52 -6.015 -3.237 -26.752 97 H ALA 53 H ALA 53 -4.701 -1.232 -28.151 98 HA ALA 53 HA ALA 53 -5.263 -2.003 -30.833 99 HB1 ALA 53 HB1 ALA 53 -5.763 0.221 -30.339 100 HB2 ALA 53 HB2 ALA 53 -4.199 0.500 -29.571 101 HB3 ALA 53 HB3 ALA 53 -4.303 0.325 -31.322 102 H LEU 54 H LEU 54 -2.321 -1.573 -28.962 103 HA LEU 54 HA LEU 54 -0.454 -1.550 -31.038 104 HB2 LEU 54 HB2 LEU 54 -0.407 -2.249 -28.157 105 HB3 LEU 54 HB3 LEU 54 0.952 -2.786 -29.142 106 HG LEU 54 HG LEU 54 0.101 0.087 -29.156 107 HD11 LEU 54 HD11 LEU 54 0.370 -0.239 -26.850 108 HD12 LEU 54 HD12 LEU 54 1.922 0.386 -27.404 109 HD13 LEU 54 HD13 LEU 54 1.732 -1.336 -27.076 110 HD21 LEU 54 HD21 LEU 54 2.556 0.355 -29.591 111 HD22 LEU 54 HD22 LEU 54 1.665 -0.499 -30.851 112 HD23 LEU 54 HD23 LEU 54 2.660 -1.402 -29.708 113 H LEU 55 H LEU 55 -1.733 -4.302 -29.179 114 HA LEU 55 HA LEU 55 -0.286 -6.274 -30.604 115 HB2 LEU 55 HB2 LEU 55 -2.918 -6.799 -29.277 116 HB3 LEU 55 HB3 LEU 55 -1.512 -7.854 -29.408 117 HG LEU 55 HG LEU 55 -1.939 -5.534 -27.546 118 HD11 LEU 55 HD11 LEU 55 -1.773 -8.471 -27.341 119 HD12 LEU 55 HD12 LEU 55 -2.682 -7.311 -26.373 120 HD13 LEU 55 HD13 LEU 55 -0.961 -7.551 -26.074 121 HD21 LEU 55 HD21 LEU 55 0.225 -5.034 -27.808 122 HD22 LEU 55 HD22 LEU 55 0.557 -6.522 -28.695 123 HD23 LEU 55 HD23 LEU 55 0.534 -6.533 -26.931 124 H LEU 56 H LEU 56 -3.646 -5.137 -30.856 125 HA LEU 56 HA LEU 56 -4.567 -6.811 -32.839 126 HB2 LEU 56 HB2 LEU 56 -5.663 -4.806 -31.510 127 HB3 LEU 56 HB3 LEU 56 -5.286 -3.929 -32.992 128 HG LEU 56 HG LEU 56 -6.620 -5.621 -34.249 129 HD11 LEU 56 HD11 LEU 56 -6.656 -6.868 -31.641 130 HD12 LEU 56 HD12 LEU 56 -7.090 -7.531 -33.216 131 HD13 LEU 56 HD13 LEU 56 -8.285 -6.637 -32.277 132 HD21 LEU 56 HD21 LEU 56 -7.546 -3.445 -33.569 133 HD22 LEU 56 HD22 LEU 56 -8.115 -4.172 -32.066 134 HD23 LEU 56 HD23 LEU 56 -8.773 -4.711 -33.612 135 H LEU 57 H LEU 57 -3.183 -3.563 -33.368 136 HA LEU 57 HA LEU 57 -3.089 -3.658 -36.140 137 HB2 LEU 57 HB2 LEU 57 -1.251 -2.258 -34.206 138 HB3 LEU 57 HB3 LEU 57 -1.275 -1.962 -35.944 139 HG LEU 57 HG LEU 57 -3.483 -1.376 -33.974 140 HD11 LEU 57 HD11 LEU 57 -1.243 0.094 -34.618 141 HD12 LEU 57 HD12 LEU 57 -2.733 0.719 -33.914 142 HD13 LEU 57 HD13 LEU 57 -2.493 0.771 -35.661 143 HD21 LEU 57 HD21 LEU 57 -4.891 -1.566 -35.684 144 HD22 LEU 57 HD22 LEU 57 -3.572 -1.841 -36.822 145 HD23 LEU 57 HD23 LEU 57 -4.066 -0.195 -36.426 146 H LEU 58 H LEU 58 -0.707 -4.759 -33.768 147 HA LEU 58 HA LEU 58 1.382 -5.380 -35.500 148 HB2 LEU 58 HB2 LEU 58 0.525 -6.298 -32.814 149 HB3 LEU 58 HB3 LEU 58 1.718 -7.280 -33.663 150 HG LEU 58 HG LEU 58 2.120 -4.333 -33.240 151 HD11 LEU 58 HD11 LEU 58 3.684 -5.719 -31.387 152 HD12 LEU 58 HD12 LEU 58 2.060 -6.385 -31.226 153 HD13 LEU 58 HD13 LEU 58 2.321 -4.650 -31.054 154 HD21 LEU 58 HD21 LEU 58 3.770 -6.665 -34.086 155 HD22 LEU 58 HD22 LEU 58 4.547 -5.335 -33.226 156 HD23 LEU 58 HD23 LEU 58 3.702 -5.030 -34.745 157 H VAL 59 H VAL 59 -1.253 -7.478 -34.346 158 HA VAL 59 HA VAL 59 -0.489 -9.734 -35.872 159 HB VAL 59 HB VAL 59 -3.278 -9.100 -34.910 160 HG11 VAL 59 HG11 VAL 59 -2.640 -11.084 -36.513 161 HG12 VAL 59 HG12 VAL 59 -2.093 -11.831 -35.011 162 HG13 VAL 59 HG13 VAL 59 -3.773 -11.321 -35.183 163 HG21 VAL 59 HG21 VAL 59 -0.859 -9.597 -33.401 164 HG22 VAL 59 HG22 VAL 59 -2.457 -9.110 -32.838 165 HG23 VAL 59 HG23 VAL 59 -2.091 -10.818 -33.080 166 H VAL 60 H VAL 60 -2.910 -7.192 -36.422 167 HA VAL 60 HA VAL 60 -4.012 -8.141 -38.785 168 HB VAL 60 HB VAL 60 -3.533 -5.261 -38.006 169 HG11 VAL 60 HG11 VAL 60 -5.200 -6.527 -40.156 170 HG12 VAL 60 HG12 VAL 60 -5.590 -4.937 -39.498 171 HG13 VAL 60 HG13 VAL 60 -4.037 -5.208 -40.290 172 HG21 VAL 60 HG21 VAL 60 -5.313 -5.373 -36.647 173 HG22 VAL 60 HG22 VAL 60 -6.223 -6.391 -37.763 174 HG23 VAL 60 HG23 VAL 60 -5.036 -7.114 -36.677 175 H ALA 61 H ALA 61 -1.388 -5.742 -38.467 176 HA ALA 61 HA ALA 61 -0.779 -5.617 -41.207 177 HB1 ALA 61 HB1 ALA 61 1.496 -4.782 -40.296 178 HB2 ALA 61 HB2 ALA 61 0.042 -3.837 -39.972 179 HB3 ALA 61 HB3 ALA 61 0.712 -4.882 -38.719 180 H LEU 62 H LEU 62 0.309 -7.767 -38.659 181 HA LEU 62 HA LEU 62 2.504 -8.904 -40.016 182 HB2 LEU 62 HB2 LEU 62 0.818 -9.639 -37.690 183 HB3 LEU 62 HB3 LEU 62 1.780 -10.917 -38.429 184 HG LEU 62 HG LEU 62 3.006 -8.329 -37.514 185 HD11 LEU 62 HD11 LEU 62 1.694 -9.817 -35.751 186 HD12 LEU 62 HD12 LEU 62 3.235 -9.050 -35.372 187 HD13 LEU 62 HD13 LEU 62 3.186 -10.755 -35.819 188 HD21 LEU 62 HD21 LEU 62 4.717 -10.539 -37.237 189 HD22 LEU 62 HD22 LEU 62 4.821 -9.232 -38.417 190 HD23 LEU 62 HD23 LEU 62 3.939 -10.709 -38.811 191 H GLY 63 H GLY 63 -0.756 -10.272 -39.490 192 HA2 GLY 63 HA2 GLY 63 -0.523 -12.484 -41.134 193 HA3 GLY 63 HA3 GLY 63 -2.036 -11.651 -40.808 194 H ILE 64 H ILE 64 -1.684 -9.244 -42.037 195 HA ILE 64 HA ILE 64 -2.170 -9.891 -44.747 196 HB ILE 64 HB ILE 64 -1.595 -7.190 -43.523 197 HG12 ILE 64 HG12 ILE 64 -4.251 -8.485 -44.166 198 HG13 ILE 64 HG13 ILE 64 -3.543 -8.426 -42.556 199 HG21 ILE 64 HG21 ILE 64 -2.082 -8.045 -46.251 200 HG22 ILE 64 HG22 ILE 64 -3.259 -6.852 -45.704 201 HG23 ILE 64 HG23 ILE 64 -1.535 -6.485 -45.637 202 HD11 ILE 64 HD11 ILE 64 -3.960 -5.897 -44.075 203 HD12 ILE 64 HD12 ILE 64 -5.319 -6.676 -43.264 204 HD13 ILE 64 HD13 ILE 64 -3.909 -6.170 -42.334 205 H GLY 65 H GLY 65 0.617 -8.481 -43.076 206 HA2 GLY 65 HA2 GLY 65 2.148 -7.886 -45.362 207 HA3 GLY 65 HA3 GLY 65 2.787 -8.155 -43.748 208 H LEU 66 H LEU 66 2.209 -10.755 -43.254 209 HA LEU 66 HA LEU 66 4.212 -12.114 -44.696 210 HB2 LEU 66 HB2 LEU 66 2.030 -13.135 -42.889 211 HB3 LEU 66 HB3 LEU 66 3.326 -14.142 -43.530 212 HG LEU 66 HG LEU 66 4.039 -11.703 -41.970 213 HD11 LEU 66 HD11 LEU 66 2.212 -13.153 -40.804 214 HD12 LEU 66 HD12 LEU 66 3.635 -12.629 -39.904 215 HD13 LEU 66 HD13 LEU 66 3.549 -14.273 -40.536 216 HD21 LEU 66 HD21 LEU 66 5.448 -13.749 -43.174 217 HD22 LEU 66 HD22 LEU 66 5.436 -14.199 -41.468 218 HD23 LEU 66 HD23 LEU 66 6.067 -12.627 -41.963 219 H PHE 67 H PHE 67 0.756 -11.868 -45.108 220 HA PHE 67 HA PHE 67 0.524 -14.059 -46.933 221 HB2 PHE 67 HB2 PHE 67 -1.315 -12.907 -45.483 222 HB3 PHE 67 HB3 PHE 67 -1.426 -11.781 -46.832 223 HD1 PHE 67 HD1 PHE 67 -1.591 -15.395 -45.998 224 HD2 PHE 67 HD2 PHE 67 -2.720 -12.298 -48.690 225 HE1 PHE 67 HE1 PHE 67 -3.073 -16.966 -47.178 226 HE2 PHE 67 HE2 PHE 67 -4.204 -13.862 -49.874 227 HZ PHE 67 HZ PHE 67 -4.383 -16.200 -49.118 228 H MET 68 H MET 68 0.673 -10.529 -47.287 229 HA MET 68 HA MET 68 0.539 -10.582 -50.133 230 HB2 MET 68 HB2 MET 68 1.580 -8.391 -48.328 231 HB3 MET 68 HB3 MET 68 1.102 -8.213 -50.011 232 HG2 MET 68 HG2 MET 68 -0.889 -9.269 -48.075 233 HG3 MET 68 HG3 MET 68 -0.506 -7.549 -48.045 234 HE1 MET 68 HE1 MET 68 -3.320 -9.839 -49.945 235 HE2 MET 68 HE2 MET 68 -3.035 -9.096 -48.372 236 HE3 MET 68 HE3 MET 68 -3.963 -8.233 -49.600 237 H ARG 69 H ARG 69 2.997 -11.298 -47.929 238 HA ARG 69 HA ARG 69 5.231 -10.436 -49.504 239 HB2 ARG 69 HB2 ARG 69 4.838 -12.006 -47.009 240 HB3 ARG 69 HB3 ARG 69 6.345 -12.247 -47.883 241 HG2 ARG 69 HG2 ARG 69 6.912 -9.937 -47.686 242 HG3 ARG 69 HG3 ARG 69 5.322 -9.552 -47.024 243 HD2 ARG 69 HD2 ARG 69 7.120 -9.681 -45.312 244 HD3 ARG 69 HD3 ARG 69 5.785 -10.797 -45.029 245 HE ARG 69 HE ARG 69 7.785 -12.114 -46.494 246 HH11 ARG 69 HH11 ARG 69 7.205 -10.814 -43.317 247 HH12 ARG 69 HH12 ARG 69 8.268 -11.929 -42.524 248 HH21 ARG 69 HH21 ARG 69 9.187 -13.588 -45.462 249 HH22 ARG 69 HH22 ARG 69 9.395 -13.506 -43.745 250 H ARG 70 H ARG 70 3.022 -12.899 -49.872 251 HA ARG 70 HA ARG 70 4.844 -14.872 -50.951 252 HB2 ARG 70 HB2 ARG 70 1.831 -14.847 -51.135 253 HB3 ARG 70 HB3 ARG 70 2.902 -16.229 -51.318 254 HG2 ARG 70 HG2 ARG 70 3.563 -15.957 -48.938 255 HG3 ARG 70 HG3 ARG 70 2.339 -14.694 -48.793 256 HD2 ARG 70 HD2 ARG 70 0.623 -16.169 -48.821 257 HD3 ARG 70 HD3 ARG 70 1.435 -17.253 -49.950 258 HE ARG 70 HE ARG 70 1.510 -17.364 -47.075 259 HH11 ARG 70 HH11 ARG 70 3.125 -18.252 -50.029 260 HH12 ARG 70 HH12 ARG 70 3.972 -19.586 -49.317 261 HH21 ARG 70 HH21 ARG 70 2.620 -19.117 -46.127 262 HH22 ARG 70 HH22 ARG 70 3.683 -20.077 -47.099 263 H ARG 71 H ARG 71 2.481 -12.540 -52.162 264 HA ARG 71 HA ARG 71 3.023 -13.289 -54.918 265 HB2 ARG 71 HB2 ARG 71 1.045 -11.559 -53.525 266 HB3 ARG 71 HB3 ARG 71 1.446 -11.147 -55.187 267 HG2 ARG 71 HG2 ARG 71 1.018 -13.880 -55.261 268 HG3 ARG 71 HG3 ARG 71 -0.217 -13.275 -54.154 269 HD2 ARG 71 HD2 ARG 71 -0.977 -11.689 -55.817 270 HD3 ARG 71 HD3 ARG 71 0.318 -12.176 -56.911 271 HE ARG 71 HE ARG 71 -1.389 -14.347 -56.134 272 HH11 ARG 71 HH11 ARG 71 -0.979 -11.696 -58.353 273 HH12 ARG 71 HH12 ARG 71 -1.976 -12.400 -59.583 274 HH21 ARG 71 HH21 ARG 71 -2.704 -15.284 -57.745 275 HH22 ARG 71 HH22 ARG 71 -2.958 -14.441 -59.235 276 H HIS 72 H HIS 72 3.820 -10.764 -52.640 277 HA HIS 72 HA HIS 72 4.794 -8.845 -54.456 278 HB2 HIS 72 HB2 HIS 72 5.093 -9.367 -51.543 279 HB3 HIS 72 HB3 HIS 72 6.282 -8.308 -52.296 280 HD1 HIS 72 HD1 HIS 72 4.401 -6.808 -54.248 281 HD2 HIS 72 HD2 HIS 72 3.564 -7.519 -50.241 282 HE1 HIS 72 HE1 HIS 72 2.736 -5.044 -53.586 283 H ILE 73 H ILE 73 6.002 -11.886 -53.575 284 HA ILE 73 HA ILE 73 8.742 -11.622 -53.600 285 HB ILE 73 HB ILE 73 7.117 -13.837 -54.854 286 HG12 ILE 73 HG12 ILE 73 6.599 -13.527 -52.495 287 HG13 ILE 73 HG13 ILE 73 7.539 -14.999 -52.709 288 HG21 ILE 73 HG21 ILE 73 9.270 -14.101 -55.726 289 HG22 ILE 73 HG22 ILE 73 10.038 -13.595 -54.222 290 HG23 ILE 73 HG23 ILE 73 9.240 -15.164 -54.320 291 HD11 ILE 73 HD11 ILE 73 8.584 -12.349 -51.742 292 HD12 ILE 73 HD12 ILE 73 8.283 -13.783 -50.759 293 HD13 ILE 73 HD13 ILE 73 9.549 -13.804 -51.987 294 H VAL 74 H VAL 74 6.504 -11.340 -56.248 295 HA VAL 74 HA VAL 74 8.349 -11.663 -58.373 296 HB VAL 74 HB VAL 74 5.863 -9.963 -58.483 297 HG11 VAL 74 HG11 VAL 74 5.903 -11.155 -60.825 298 HG12 VAL 74 HG12 VAL 74 6.887 -9.722 -60.522 299 HG13 VAL 74 HG13 VAL 74 7.621 -11.325 -60.465 300 HG21 VAL 74 HG21 VAL 74 6.109 -12.802 -57.946 301 HG22 VAL 74 HG22 VAL 74 4.687 -11.760 -57.879 302 HG23 VAL 74 HG23 VAL 74 5.181 -12.482 -59.411 303 H ARG 75 H ARG 75 9.155 -10.005 -59.805 304 HA ARG 75 HA ARG 75 10.645 -8.039 -58.589 305 HB2 ARG 75 HB2 ARG 75 9.572 -7.938 -61.414 306 HB3 ARG 75 HB3 ARG 75 10.982 -7.083 -60.803 307 HG2 ARG 75 HG2 ARG 75 12.140 -8.805 -61.617 308 HG3 ARG 75 HG3 ARG 75 11.582 -9.671 -60.185 309 HD2 ARG 75 HD2 ARG 75 10.119 -10.936 -61.357 310 HD3 ARG 75 HD3 ARG 75 9.727 -9.632 -62.476 311 HE ARG 75 HE ARG 75 12.258 -10.305 -63.162 312 HH11 ARG 75 HH11 ARG 75 9.317 -12.121 -62.750 313 HH12 ARG 75 HH12 ARG 75 9.735 -13.316 -63.933 314 HH21 ARG 75 HH21 ARG 75 12.821 -11.873 -64.721 315 HH22 ARG 75 HH22 ARG 75 11.729 -13.174 -65.052 316 H LYS 76 H LYS 76 9.802 -6.541 -57.272 317 HA LYS 76 HA LYS 76 7.258 -5.379 -57.514 318 HB2 LYS 76 HB2 LYS 76 9.736 -4.450 -56.061 319 HB3 LYS 76 HB3 LYS 76 8.173 -3.656 -55.915 320 HG2 LYS 76 HG2 LYS 76 8.107 -5.021 -54.094 321 HG3 LYS 76 HG3 LYS 76 7.365 -6.078 -55.297 322 HD2 LYS 76 HD2 LYS 76 9.307 -7.359 -55.539 323 HD3 LYS 76 HD3 LYS 76 10.324 -6.119 -54.801 324 HE2 LYS 76 HE2 LYS 76 8.230 -7.018 -53.009 325 HE3 LYS 76 HE3 LYS 76 9.249 -8.351 -53.550 326 HZ1 LYS 76 HZ1 LYS 76 10.793 -6.063 -52.841 327 HZ2 LYS 76 HZ2 LYS 76 10.906 -7.651 -52.272 328 HZ3 LYS 76 HZ3 LYS 76 9.823 -6.570 -51.551 329 H ARG 77 H ARG 77 10.257 -4.664 -59.059 330 HA ARG 77 HA ARG 77 9.918 -1.964 -59.689 331 HB2 ARG 77 HB2 ARG 77 11.463 -4.228 -60.838 332 HB3 ARG 77 HB3 ARG 77 11.251 -2.807 -61.852 333 HG2 ARG 77 HG2 ARG 77 12.212 -2.488 -59.046 334 HG3 ARG 77 HG3 ARG 77 13.329 -3.013 -60.307 335 HD2 ARG 77 HD2 ARG 77 11.604 -0.560 -60.559 336 HD3 ARG 77 HD3 ARG 77 13.226 -0.524 -59.868 337 HE ARG 77 HE ARG 77 13.312 -1.782 -62.382 338 HH11 ARG 77 HH11 ARG 77 12.834 1.357 -60.955 339 HH12 ARG 77 HH12 ARG 77 13.445 2.219 -62.328 340 HH21 ARG 77 HH21 ARG 77 14.119 -0.659 -64.196 341 HH22 ARG 77 HH22 ARG 77 14.175 1.071 -64.171 342 H THR 78 H THR 78 8.595 -4.858 -61.166 343 HA THR 78 HA THR 78 7.698 -3.896 -63.589 344 HB THR 78 HB THR 78 5.899 -5.678 -61.991 345 HG1 THR 78 HG1 THR 78 8.190 -6.731 -63.256 346 HG21 THR 78 HG21 THR 78 6.812 -5.544 -64.860 347 HG22 THR 78 HG22 THR 78 5.190 -5.269 -64.225 348 HG23 THR 78 HG23 THR 78 5.882 -6.891 -64.205 349 H LEU 79 H LEU 79 5.831 -3.970 -60.547 350 HA LEU 79 HA LEU 79 3.622 -2.543 -61.507 351 HB2 LEU 79 HB2 LEU 79 4.728 -3.191 -58.830 352 HB3 LEU 79 HB3 LEU 79 3.515 -1.915 -58.925 353 HG LEU 79 HG LEU 79 2.555 -4.105 -58.345 354 HD11 LEU 79 HD11 LEU 79 1.506 -3.604 -61.066 355 HD12 LEU 79 HD12 LEU 79 1.505 -2.247 -59.941 356 HD13 LEU 79 HD13 LEU 79 0.657 -3.736 -59.526 357 HD21 LEU 79 HD21 LEU 79 4.324 -5.182 -60.057 358 HD22 LEU 79 HD22 LEU 79 2.894 -5.136 -61.089 359 HD23 LEU 79 HD23 LEU 79 2.843 -5.993 -59.548 360 H ARG 80 H ARG 80 6.568 -1.433 -59.884 361 HA ARG 80 HA ARG 80 5.947 1.228 -59.501 362 HB2 ARG 80 HB2 ARG 80 8.513 -0.213 -60.060 363 HB3 ARG 80 HB3 ARG 80 8.503 1.544 -59.985 364 HG2 ARG 80 HG2 ARG 80 7.376 1.271 -57.714 365 HG3 ARG 80 HG3 ARG 80 7.864 -0.422 -57.815 366 HD2 ARG 80 HD2 ARG 80 10.170 0.171 -57.922 367 HD3 ARG 80 HD3 ARG 80 9.781 1.879 -58.122 368 HE ARG 80 HE ARG 80 8.712 0.913 -55.691 369 HH11 ARG 80 HH11 ARG 80 11.730 1.785 -57.193 370 HH12 ARG 80 HH12 ARG 80 12.497 2.219 -55.701 371 HH21 ARG 80 HH21 ARG 80 9.711 1.481 -53.721 372 HH22 ARG 80 HH22 ARG 80 11.347 2.045 -53.727 373 H ARG 81 H ARG 81 6.988 -0.404 -62.441 374 HA ARG 81 HA ARG 81 7.381 1.954 -63.978 375 HB2 ARG 81 HB2 ARG 81 7.122 -0.961 -64.580 376 HB3 ARG 81 HB3 ARG 81 6.985 0.190 -65.903 377 HG2 ARG 81 HG2 ARG 81 9.307 0.297 -64.019 378 HG3 ARG 81 HG3 ARG 81 9.284 -0.836 -65.373 379 HD2 ARG 81 HD2 ARG 81 8.673 1.263 -66.776 380 HD3 ARG 81 HD3 ARG 81 9.326 2.155 -65.403 381 HE ARG 81 HE ARG 81 11.263 0.340 -65.978 382 HH11 ARG 81 HH11 ARG 81 9.554 2.736 -67.837 383 HH12 ARG 81 HH12 ARG 81 10.875 3.026 -68.921 384 HH21 ARG 81 HH21 ARG 81 13.009 0.712 -67.398 385 HH22 ARG 81 HH22 ARG 81 12.839 1.873 -68.670 386 H LEU 82 H LEU 82 4.628 -0.141 -63.369 387 HA LEU 82 HA LEU 82 2.939 0.928 -65.380 388 HB2 LEU 82 HB2 LEU 82 2.323 -0.519 -62.811 389 HB3 LEU 82 HB3 LEU 82 1.109 -0.096 -64.016 390 HG LEU 82 HG LEU 82 3.470 -1.781 -64.764 391 HD11 LEU 82 HD11 LEU 82 1.328 -3.505 -64.325 392 HD12 LEU 82 HD12 LEU 82 1.401 -2.490 -62.885 393 HD13 LEU 82 HD13 LEU 82 2.822 -3.403 -63.394 394 HD21 LEU 82 HD21 LEU 82 0.653 -1.489 -65.798 395 HD22 LEU 82 HD22 LEU 82 1.823 -2.666 -66.395 396 HD23 LEU 82 HD23 LEU 82 2.136 -0.939 -66.578 397 H LEU 83 H LEU 83 3.003 1.465 -61.853 398 HA LEU 83 HA LEU 83 1.058 3.431 -61.718 399 HB2 LEU 83 HB2 LEU 83 3.532 2.991 -60.066 400 HB3 LEU 83 HB3 LEU 83 2.328 4.218 -59.674 401 HG LEU 83 HG LEU 83 1.851 1.239 -59.773 402 HD11 LEU 83 HD11 LEU 83 3.134 1.691 -57.850 403 HD12 LEU 83 HD12 LEU 83 1.461 1.613 -57.300 404 HD13 LEU 83 HD13 LEU 83 2.248 3.177 -57.510 405 HD21 LEU 83 HD21 LEU 83 -0.224 2.058 -60.277 406 HD22 LEU 83 HD22 LEU 83 0.058 3.594 -59.457 407 HD23 LEU 83 HD23 LEU 83 -0.281 2.141 -58.516 408 H GLN 84 H GLN 84 4.554 3.810 -62.217 409 HA GLN 84 HA GLN 84 4.718 6.569 -62.236 410 HB2 GLN 84 HB2 GLN 84 6.267 4.408 -63.607 411 HB3 GLN 84 HB3 GLN 84 6.595 6.087 -64.013 412 HG2 GLN 84 HG2 GLN 84 7.309 6.591 -61.842 413 HG3 GLN 84 HG3 GLN 84 6.602 5.120 -61.177 414 HE21 GLN 84 HE21 GLN 84 8.714 5.723 -63.959 415 HE22 GLN 84 HE22 GLN 84 9.967 4.644 -63.461 416 H GLU 85 H GLU 85 3.740 4.381 -64.825 417 HA GLU 85 HA GLU 85 3.503 6.486 -66.771 418 HB2 GLU 85 HB2 GLU 85 3.020 3.555 -66.709 419 HB3 GLU 85 HB3 GLU 85 2.135 4.486 -67.909 420 HG2 GLU 85 HG2 GLU 85 5.080 4.858 -67.644 421 HG3 GLU 85 HG3 GLU 85 4.448 3.445 -68.488 422 H ARG 86 H ARG 86 1.434 4.936 -64.449 423 HA ARG 86 HA ARG 86 -1.050 5.740 -65.571 424 HB2 ARG 86 HB2 ARG 86 -0.234 4.871 -62.802 425 HB3 ARG 86 HB3 ARG 86 -1.890 5.307 -63.203 426 HG2 ARG 86 HG2 ARG 86 -0.491 3.268 -64.862 427 HG3 ARG 86 HG3 ARG 86 -1.104 2.817 -63.270 428 HD2 ARG 86 HD2 ARG 86 -3.333 3.601 -63.912 429 HD3 ARG 86 HD3 ARG 86 -2.717 4.047 -65.502 430 HE ARG 86 HE ARG 86 -2.101 1.395 -65.229 431 HH11 ARG 86 HH11 ARG 86 -5.014 3.295 -65.086 432 HH12 ARG 86 HH12 ARG 86 -6.032 2.017 -65.662 433 HH21 ARG 86 HH21 ARG 86 -3.430 -0.296 -65.988 434 HH22 ARG 86 HH22 ARG 86 -5.130 -0.026 -66.175 435 H GLU 87 H GLU 87 1.273 7.258 -63.451 436 HA GLU 87 HA GLU 87 1.346 9.300 -62.434 437 HB2 GLU 87 HB2 GLU 87 -0.404 10.454 -64.550 438 HB3 GLU 87 HB3 GLU 87 1.105 11.065 -63.885 439 HG2 GLU 87 HG2 GLU 87 2.122 8.972 -65.087 440 HG3 GLU 87 HG3 GLU 87 0.653 9.083 -66.055 441 H LEU 88 H LEU 88 -0.402 7.902 -61.080 442 HA LEU 88 HA LEU 88 -2.805 9.584 -60.820 443 HB2 LEU 88 HB2 LEU 88 -2.304 6.679 -60.333 444 HB3 LEU 88 HB3 LEU 88 -3.586 7.506 -59.451 445 HG LEU 88 HG LEU 88 -3.470 7.577 -62.448 446 HD11 LEU 88 HD11 LEU 88 -3.899 5.407 -62.579 447 HD12 LEU 88 HD12 LEU 88 -5.373 5.674 -61.649 448 HD13 LEU 88 HD13 LEU 88 -3.873 5.254 -60.822 449 HD21 LEU 88 HD21 LEU 88 -5.839 7.993 -62.241 450 HD22 LEU 88 HD22 LEU 88 -4.949 9.143 -61.241 451 HD23 LEU 88 HD23 LEU 88 -5.759 7.765 -60.494 452 H VAL 89 H VAL 89 -0.041 8.243 -59.184 453 HA VAL 89 HA VAL 89 -0.732 9.840 -56.810 454 HB VAL 89 HB VAL 89 0.569 7.113 -56.775 455 HG11 VAL 89 HG11 VAL 89 1.541 8.185 -54.980 456 HG12 VAL 89 HG12 VAL 89 0.125 9.195 -54.680 457 HG13 VAL 89 HG13 VAL 89 0.102 7.488 -54.237 458 HG21 VAL 89 HG21 VAL 89 -1.501 6.527 -55.450 459 HG22 VAL 89 HG22 VAL 89 -2.185 8.055 -56.006 460 HG23 VAL 89 HG23 VAL 89 -1.746 6.809 -57.174 461 H GLU 90 H GLU 90 0.640 11.517 -57.046 462 HA GLU 90 HA GLU 90 2.585 12.698 -57.079 463 HB2 GLU 90 HB2 GLU 90 3.052 10.806 -55.293 464 HB3 GLU 90 HB3 GLU 90 4.191 10.246 -56.508 465 HG2 GLU 90 HG2 GLU 90 5.368 11.628 -54.975 466 HG3 GLU 90 HG3 GLU 90 5.223 12.507 -56.496 467 H GLY 91 H GLY 91 1.767 12.128 -59.526 468 HA2 GLY 91 HA2 GLY 91 4.268 11.798 -60.978 469 HA3 GLY 91 HA3 GLY 91 3.016 10.618 -61.338 470 H GLY 92 H GLY 92 4.374 13.183 -62.623 471 HA2 GLY 92 HA2 GLY 92 3.009 13.839 -64.692 472 HA3 GLY 92 HA3 GLY 92 1.859 14.441 -63.506 Start of MODEL 2 1 H1 GLY 39 H GLY 39 -1.330 -12.825 -14.571 2 HA2 GLY 39 HA2 GLY 39 -2.622 -12.716 -11.928 3 HA3 GLY 39 HA3 GLY 39 -1.604 -11.459 -12.614 4 H SER 40 H SER 40 -2.467 -10.274 -14.484 5 HA SER 40 HA SER 40 -4.065 -8.892 -15.337 6 HB2 SER 40 HB2 SER 40 -5.808 -9.956 -16.458 7 HB3 SER 40 HB3 SER 40 -4.650 -11.270 -16.257 8 HG SER 40 HG SER 40 -6.977 -11.610 -15.641 9 H CYS 41 H CYS 41 -3.816 -8.979 -12.458 10 HA CYS 41 HA CYS 41 -6.502 -8.013 -11.764 11 HB2 CYS 41 HB2 CYS 41 -4.742 -9.851 -10.145 12 HB3 CYS 41 HB3 CYS 41 -6.040 -8.912 -9.418 13 HG CYS 41 HG CYS 41 -6.296 -11.484 -11.639 14 H LYS 42 H LYS 42 -6.455 -6.616 -9.772 15 HA LYS 42 HA LYS 42 -5.783 -4.643 -8.849 16 HB2 LYS 42 HB2 LYS 42 -3.007 -5.814 -8.855 17 HB3 LYS 42 HB3 LYS 42 -3.707 -4.686 -7.701 18 HG2 LYS 42 HG2 LYS 42 -4.503 -7.570 -8.055 19 HG3 LYS 42 HG3 LYS 42 -3.505 -6.916 -6.753 20 HD2 LYS 42 HD2 LYS 42 -5.407 -5.472 -6.086 21 HD3 LYS 42 HD3 LYS 42 -6.394 -6.255 -7.323 22 HE2 LYS 42 HE2 LYS 42 -6.372 -8.307 -6.204 23 HE3 LYS 42 HE3 LYS 42 -4.987 -7.855 -5.212 24 HZ1 LYS 42 HZ1 LYS 42 -6.411 -6.222 -4.092 25 HZ2 LYS 42 HZ2 LYS 42 -6.983 -7.802 -3.901 26 HZ3 LYS 42 HZ3 LYS 42 -7.737 -6.757 -4.996 27 H ILE 43 H ILE 43 -5.726 -4.825 -11.753 28 HA ILE 43 HA ILE 43 -3.408 -3.343 -12.628 29 HB ILE 43 HB ILE 43 -5.957 -3.983 -14.117 30 HG12 ILE 43 HG12 ILE 43 -4.793 -6.017 -13.483 31 HG13 ILE 43 HG13 ILE 43 -4.577 -5.737 -15.208 32 HG21 ILE 43 HG21 ILE 43 -3.287 -3.084 -15.190 33 HG22 ILE 43 HG22 ILE 43 -4.750 -3.403 -16.120 34 HG23 ILE 43 HG23 ILE 43 -4.697 -2.043 -14.999 35 HD11 ILE 43 HD11 ILE 43 -2.609 -6.044 -13.158 36 HD12 ILE 43 HD12 ILE 43 -2.400 -5.954 -14.907 37 HD13 ILE 43 HD13 ILE 43 -2.420 -4.477 -13.943 38 HA PRO 44 HA PRO 44 -5.046 0.661 -11.713 39 HB2 PRO 44 HB2 PRO 44 -3.302 2.106 -13.211 40 HB3 PRO 44 HB3 PRO 44 -2.859 1.365 -11.669 41 HG2 PRO 44 HG2 PRO 44 -2.351 0.391 -14.453 42 HG3 PRO 44 HG3 PRO 44 -1.260 0.402 -13.056 43 HD2 PRO 44 HD2 PRO 44 -2.584 -1.821 -13.853 44 HD3 PRO 44 HD3 PRO 44 -2.197 -1.499 -12.150 45 H SER 45 H SER 45 -5.203 2.800 -13.289 46 HA SER 45 HA SER 45 -6.898 1.912 -15.528 47 HB2 SER 45 HB2 SER 45 -7.796 4.386 -15.175 48 HB3 SER 45 HB3 SER 45 -8.389 3.049 -14.189 49 HG SER 45 HG SER 45 -7.018 3.680 -12.546 50 H ILE 46 H ILE 46 -4.390 4.153 -14.523 51 HA ILE 46 HA ILE 46 -4.256 5.616 -16.951 52 HB ILE 46 HB ILE 46 -2.119 5.215 -14.855 53 HG12 ILE 46 HG12 ILE 46 -3.941 7.594 -15.198 54 HG13 ILE 46 HG13 ILE 46 -4.350 6.242 -14.147 55 HG21 ILE 46 HG21 ILE 46 -2.348 7.101 -17.182 56 HG22 ILE 46 HG22 ILE 46 -1.301 7.428 -15.801 57 HG23 ILE 46 HG23 ILE 46 -1.033 5.993 -16.791 58 HD11 ILE 46 HD11 ILE 46 -2.865 8.497 -13.496 59 HD12 ILE 46 HD12 ILE 46 -3.073 7.038 -12.526 60 HD13 ILE 46 HD13 ILE 46 -1.688 7.189 -13.607 61 H ALA 47 H ALA 47 -3.352 2.464 -16.167 62 HA ALA 47 HA ALA 47 -1.302 2.349 -18.263 63 HB1 ALA 47 HB1 ALA 47 -2.055 0.107 -16.409 64 HB2 ALA 47 HB2 ALA 47 -0.564 0.322 -17.327 65 HB3 ALA 47 HB3 ALA 47 -0.911 1.369 -15.951 66 H THR 48 H THR 48 -4.585 1.774 -17.775 67 HA THR 48 HA THR 48 -5.033 -0.519 -19.338 68 HB THR 48 HB THR 48 -7.348 0.255 -19.549 69 HG1 THR 48 HG1 THR 48 -7.860 2.329 -18.590 70 HG21 THR 48 HG21 THR 48 -7.672 0.800 -17.000 71 HG22 THR 48 HG22 THR 48 -5.955 0.407 -16.912 72 HG23 THR 48 HG23 THR 48 -7.105 -0.790 -17.509 73 H GLY 49 H GLY 49 -5.368 2.923 -20.238 74 HA2 GLY 49 HA2 GLY 49 -5.989 2.643 -22.899 75 HA3 GLY 49 HA3 GLY 49 -5.039 3.975 -22.257 76 H MET 50 H MET 50 -2.753 2.586 -21.449 77 HA MET 50 HA MET 50 -1.305 2.475 -23.852 78 HB2 MET 50 HB2 MET 50 -0.729 1.732 -21.013 79 HB3 MET 50 HB3 MET 50 0.401 1.241 -22.268 80 HG2 MET 50 HG2 MET 50 -0.498 4.084 -22.031 81 HG3 MET 50 HG3 MET 50 0.806 3.451 -21.029 82 HE1 MET 50 HE1 MET 50 0.120 4.057 -25.244 83 HE2 MET 50 HE2 MET 50 -0.375 5.035 -23.862 84 HE3 MET 50 HE3 MET 50 1.082 5.456 -24.764 85 H VAL 51 H VAL 51 -2.504 -0.115 -21.737 86 HA VAL 51 HA VAL 51 -1.432 -2.293 -23.097 87 HB VAL 51 HB VAL 51 -4.118 -2.237 -21.718 88 HG11 VAL 51 HG11 VAL 51 -2.981 -4.258 -23.152 89 HG12 VAL 51 HG12 VAL 51 -2.415 -4.611 -21.519 90 HG13 VAL 51 HG13 VAL 51 -4.144 -4.475 -21.845 91 HG21 VAL 51 HG21 VAL 51 -1.527 -1.732 -20.653 92 HG22 VAL 51 HG22 VAL 51 -3.068 -1.840 -19.802 93 HG23 VAL 51 HG23 VAL 51 -2.091 -3.288 -20.045 94 H GLY 52 H GLY 52 -4.740 -0.978 -23.411 95 HA2 GLY 52 HA2 GLY 52 -5.645 -2.560 -25.474 96 HA3 GLY 52 HA3 GLY 52 -6.152 -0.896 -25.224 97 H ALA 53 H ALA 53 -3.761 0.434 -25.737 98 HA ALA 53 HA ALA 53 -3.789 0.464 -28.588 99 HB1 ALA 53 HB1 ALA 53 -1.856 2.116 -28.223 100 HB2 ALA 53 HB2 ALA 53 -3.452 2.554 -27.613 101 HB3 ALA 53 HB3 ALA 53 -2.222 1.945 -26.506 102 H LEU 54 H LEU 54 -1.634 -0.852 -26.150 103 HA LEU 54 HA LEU 54 0.602 -1.367 -27.744 104 HB2 LEU 54 HB2 LEU 54 -0.492 -2.458 -25.214 105 HB3 LEU 54 HB3 LEU 54 0.750 -3.404 -26.033 106 HG LEU 54 HG LEU 54 1.173 -0.506 -25.369 107 HD11 LEU 54 HD11 LEU 54 1.065 -1.017 -23.203 108 HD12 LEU 54 HD12 LEU 54 2.546 -1.938 -23.462 109 HD13 LEU 54 HD13 LEU 54 0.981 -2.749 -23.529 110 HD21 LEU 54 HD21 LEU 54 2.630 -1.922 -26.972 111 HD22 LEU 54 HD22 LEU 54 3.226 -2.680 -25.495 112 HD23 LEU 54 HD23 LEU 54 3.419 -0.943 -25.735 113 H LEU 55 H LEU 55 -2.190 -3.444 -27.009 114 HA LEU 55 HA LEU 55 -1.330 -5.610 -28.622 115 HB2 LEU 55 HB2 LEU 55 -4.207 -5.049 -28.014 116 HB3 LEU 55 HB3 LEU 55 -3.386 -6.602 -28.160 117 HG LEU 55 HG LEU 55 -3.347 -4.680 -25.849 118 HD11 LEU 55 HD11 LEU 55 -4.487 -7.336 -26.432 119 HD12 LEU 55 HD12 LEU 55 -5.069 -6.055 -25.369 120 HD13 LEU 55 HD13 LEU 55 -3.775 -7.127 -24.831 121 HD21 LEU 55 HD21 LEU 55 -1.203 -5.229 -25.537 122 HD22 LEU 55 HD22 LEU 55 -1.267 -6.528 -26.728 123 HD23 LEU 55 HD23 LEU 55 -1.816 -6.817 -25.077 124 H LEU 56 H LEU 56 -3.684 -3.002 -29.173 125 HA LEU 56 HA LEU 56 -4.598 -3.707 -31.673 126 HB2 LEU 56 HB2 LEU 56 -5.097 -1.661 -30.073 127 HB3 LEU 56 HB3 LEU 56 -3.980 -0.842 -31.163 128 HG LEU 56 HG LEU 56 -5.519 -1.652 -33.046 129 HD11 LEU 56 HD11 LEU 56 -6.964 -2.574 -30.671 130 HD12 LEU 56 HD12 LEU 56 -7.075 -3.105 -32.348 131 HD13 LEU 56 HD13 LEU 56 -7.944 -1.665 -31.821 132 HD21 LEU 56 HD21 LEU 56 -5.415 0.659 -32.501 133 HD22 LEU 56 HD22 LEU 56 -6.350 0.420 -31.024 134 HD23 LEU 56 HD23 LEU 56 -7.122 0.229 -32.599 135 H LEU 57 H LEU 57 -1.905 -1.454 -31.028 136 HA LEU 57 HA LEU 57 -1.060 -1.137 -33.652 137 HB2 LEU 57 HB2 LEU 57 0.546 -1.101 -31.103 138 HB3 LEU 57 HB3 LEU 57 1.154 -0.558 -32.666 139 HG LEU 57 HG LEU 57 -1.080 0.682 -31.063 140 HD11 LEU 57 HD11 LEU 57 0.417 2.138 -30.288 141 HD12 LEU 57 HD12 LEU 57 1.170 2.335 -31.870 142 HD13 LEU 57 HD13 LEU 57 1.646 0.993 -30.829 143 HD21 LEU 57 HD21 LEU 57 -0.516 0.772 -33.890 144 HD22 LEU 57 HD22 LEU 57 -0.357 2.370 -33.160 145 HD23 LEU 57 HD23 LEU 57 -1.863 1.468 -32.989 146 H LEU 58 H LEU 58 -0.089 -3.567 -31.263 147 HA LEU 58 HA LEU 58 1.936 -4.816 -32.689 148 HB2 LEU 58 HB2 LEU 58 0.045 -5.645 -30.561 149 HB3 LEU 58 HB3 LEU 58 0.916 -6.920 -31.411 150 HG LEU 58 HG LEU 58 2.206 -4.624 -29.937 151 HD11 LEU 58 HD11 LEU 58 1.942 -7.520 -29.142 152 HD12 LEU 58 HD12 LEU 58 1.041 -6.180 -28.435 153 HD13 LEU 58 HD13 LEU 58 2.793 -6.259 -28.249 154 HD21 LEU 58 HD21 LEU 58 4.219 -6.165 -30.176 155 HD22 LEU 58 HD22 LEU 58 3.692 -5.305 -31.623 156 HD23 LEU 58 HD23 LEU 58 3.285 -7.009 -31.411 157 H VAL 59 H VAL 59 -1.537 -5.601 -32.654 158 HA VAL 59 HA VAL 59 -1.370 -7.670 -34.573 159 HB VAL 59 HB VAL 59 -3.790 -5.959 -34.007 160 HG11 VAL 59 HG11 VAL 59 -4.028 -8.842 -34.555 161 HG12 VAL 59 HG12 VAL 59 -5.021 -7.493 -35.110 162 HG13 VAL 59 HG13 VAL 59 -3.489 -7.850 -35.909 163 HG21 VAL 59 HG21 VAL 59 -3.686 -6.694 -31.906 164 HG22 VAL 59 HG22 VAL 59 -4.018 -8.305 -32.542 165 HG23 VAL 59 HG23 VAL 59 -2.353 -7.787 -32.280 166 H VAL 60 H VAL 60 -2.277 -4.243 -34.851 167 HA VAL 60 HA VAL 60 -2.912 -4.178 -37.550 168 HB VAL 60 HB VAL 60 -1.563 -2.012 -35.932 169 HG11 VAL 60 HG11 VAL 60 -1.318 -1.389 -38.182 170 HG12 VAL 60 HG12 VAL 60 -2.922 -1.986 -38.611 171 HG13 VAL 60 HG13 VAL 60 -2.756 -0.531 -37.629 172 HG21 VAL 60 HG21 VAL 60 -4.409 -1.754 -36.504 173 HG22 VAL 60 HG22 VAL 60 -4.026 -3.161 -35.513 174 HG23 VAL 60 HG23 VAL 60 -3.537 -1.551 -34.985 175 H ALA 61 H ALA 61 0.236 -3.364 -36.077 176 HA ALA 61 HA ALA 61 1.624 -3.079 -38.503 177 HB1 ALA 61 HB1 ALA 61 3.659 -3.568 -36.976 178 HB2 ALA 61 HB2 ALA 61 2.693 -2.120 -36.688 179 HB3 ALA 61 HB3 ALA 61 2.471 -3.545 -35.673 180 H LEU 62 H LEU 62 0.936 -5.881 -36.509 181 HA LEU 62 HA LEU 62 2.773 -7.662 -37.697 182 HB2 LEU 62 HB2 LEU 62 0.336 -7.906 -36.026 183 HB3 LEU 62 HB3 LEU 62 0.863 -9.341 -36.903 184 HG LEU 62 HG LEU 62 2.586 -7.795 -34.969 185 HD11 LEU 62 HD11 LEU 62 0.557 -9.867 -34.558 186 HD12 LEU 62 HD12 LEU 62 1.270 -8.729 -33.415 187 HD13 LEU 62 HD13 LEU 62 2.123 -10.217 -33.825 188 HD21 LEU 62 HD21 LEU 62 2.938 -10.383 -36.463 189 HD22 LEU 62 HD22 LEU 62 3.907 -9.946 -35.056 190 HD23 LEU 62 HD23 LEU 62 3.962 -8.948 -36.510 191 H GLY 63 H GLY 63 -0.760 -7.435 -38.188 192 HA2 GLY 63 HA2 GLY 63 -0.977 -9.184 -40.317 193 HA3 GLY 63 HA3 GLY 63 -2.042 -7.811 -40.057 194 H ILE 64 H ILE 64 -0.382 -5.680 -40.464 195 HA ILE 64 HA ILE 64 -0.279 -5.557 -43.290 196 HB ILE 64 HB ILE 64 0.964 -3.687 -41.269 197 HG12 ILE 64 HG12 ILE 64 -1.680 -3.478 -42.726 198 HG13 ILE 64 HG13 ILE 64 -1.503 -4.003 -41.055 199 HG21 ILE 64 HG21 ILE 64 1.103 -3.771 -44.131 200 HG22 ILE 64 HG22 ILE 64 0.239 -2.324 -43.613 201 HG23 ILE 64 HG23 ILE 64 1.865 -2.644 -43.009 202 HD11 ILE 64 HD11 ILE 64 -0.244 -1.432 -41.665 203 HD12 ILE 64 HD12 ILE 64 -2.000 -1.463 -41.831 204 HD13 ILE 64 HD13 ILE 64 -1.250 -1.915 -40.300 205 H GLY 65 H GLY 65 2.222 -5.900 -40.802 206 HA2 GLY 65 HA2 GLY 65 4.455 -5.715 -42.503 207 HA3 GLY 65 HA3 GLY 65 4.428 -6.518 -40.940 208 H LEU 66 H LEU 66 2.710 -8.587 -41.330 209 HA LEU 66 HA LEU 66 4.316 -10.461 -42.694 210 HB2 LEU 66 HB2 LEU 66 1.592 -10.525 -41.470 211 HB3 LEU 66 HB3 LEU 66 2.152 -11.890 -42.434 212 HG LEU 66 HG LEU 66 3.854 -10.907 -40.189 213 HD11 LEU 66 HD11 LEU 66 2.393 -12.921 -39.050 214 HD12 LEU 66 HD12 LEU 66 1.164 -12.003 -39.919 215 HD13 LEU 66 HD13 LEU 66 2.188 -11.198 -38.731 216 HD21 LEU 66 HD21 LEU 66 4.846 -12.591 -41.503 217 HD22 LEU 66 HD22 LEU 66 3.353 -13.528 -41.575 218 HD23 LEU 66 HD23 LEU 66 4.250 -13.411 -40.060 219 H PHE 67 H PHE 67 1.532 -8.578 -43.650 220 HA PHE 67 HA PHE 67 0.994 -10.058 -46.038 221 HB2 PHE 67 HB2 PHE 67 -0.568 -8.464 -44.680 222 HB3 PHE 67 HB3 PHE 67 0.173 -7.198 -45.655 223 HD1 PHE 67 HD2 PHE 67 -1.486 -10.514 -46.033 224 HD2 PHE 67 HD1 PHE 67 -0.787 -6.647 -47.669 225 HE1 PHE 67 HE2 PHE 67 -3.060 -11.006 -47.859 226 HE2 PHE 67 HE1 PHE 67 -2.362 -7.132 -49.497 227 HZ PHE 67 HZ PHE 67 -3.499 -9.315 -49.594 228 H MET 68 H MET 68 2.633 -6.990 -45.326 229 HA MET 68 HA MET 68 3.324 -6.467 -48.041 230 HB2 MET 68 HB2 MET 68 4.573 -5.358 -45.522 231 HB3 MET 68 HB3 MET 68 4.724 -4.686 -47.140 232 HG2 MET 68 HG2 MET 68 2.006 -5.033 -45.989 233 HG3 MET 68 HG3 MET 68 3.016 -3.713 -45.403 234 HE1 MET 68 HE1 MET 68 0.185 -2.467 -47.688 235 HE2 MET 68 HE2 MET 68 0.212 -4.091 -48.377 236 HE3 MET 68 HE3 MET 68 0.293 -3.872 -46.628 237 H ARG 69 H ARG 69 4.480 -8.683 -45.812 238 HA ARG 69 HA ARG 69 7.236 -8.663 -46.697 239 HB2 ARG 69 HB2 ARG 69 5.641 -10.209 -44.706 240 HB3 ARG 69 HB3 ARG 69 7.127 -10.924 -45.315 241 HG2 ARG 69 HG2 ARG 69 8.454 -9.237 -44.409 242 HG3 ARG 69 HG3 ARG 69 7.085 -8.141 -44.213 243 HD2 ARG 69 HD2 ARG 69 7.789 -9.041 -42.064 244 HD3 ARG 69 HD3 ARG 69 6.168 -9.599 -42.477 245 HE ARG 69 HE ARG 69 7.947 -11.530 -43.374 246 HH11 ARG 69 HH11 ARG 69 6.967 -10.118 -40.347 247 HH12 ARG 69 HH12 ARG 69 7.291 -11.548 -39.425 248 HH21 ARG 69 HH21 ARG 69 8.378 -13.420 -42.171 249 HH22 ARG 69 HH22 ARG 69 8.095 -13.426 -40.464 250 H ARG 70 H ARG 70 4.368 -9.819 -47.929 251 HA ARG 70 HA ARG 70 5.752 -11.945 -49.430 252 HB2 ARG 70 HB2 ARG 70 2.779 -11.774 -48.934 253 HB3 ARG 70 HB3 ARG 70 3.671 -13.120 -49.630 254 HG2 ARG 70 HG2 ARG 70 4.891 -13.235 -47.387 255 HG3 ARG 70 HG3 ARG 70 3.600 -12.194 -46.783 256 HD2 ARG 70 HD2 ARG 70 1.970 -13.813 -47.108 257 HD3 ARG 70 HD3 ARG 70 2.943 -14.696 -48.284 258 HE ARG 70 HE ARG 70 4.329 -14.857 -45.918 259 HH11 ARG 70 HH11 ARG 70 1.155 -15.750 -47.036 260 HH12 ARG 70 HH12 ARG 70 1.008 -17.092 -45.950 261 HH21 ARG 70 HH21 ARG 70 4.147 -16.621 -44.484 262 HH22 ARG 70 HH22 ARG 70 2.710 -17.586 -44.498 263 H ARG 71 H ARG 71 3.359 -9.347 -49.601 264 HA ARG 71 HA ARG 71 2.843 -9.505 -52.360 265 HB2 ARG 71 HB2 ARG 71 2.471 -7.452 -50.240 266 HB3 ARG 71 HB3 ARG 71 2.393 -6.909 -51.911 267 HG2 ARG 71 HG2 ARG 71 0.742 -9.170 -50.813 268 HG3 ARG 71 HG3 ARG 71 0.195 -7.494 -50.888 269 HD2 ARG 71 HD2 ARG 71 0.951 -7.756 -53.415 270 HD3 ARG 71 HD3 ARG 71 0.635 -9.457 -53.075 271 HE ARG 71 HE ARG 71 -1.599 -8.995 -53.106 272 HH11 ARG 71 HH11 ARG 71 0.151 -6.021 -52.642 273 HH12 ARG 71 HH12 ARG 71 -1.258 -5.021 -52.763 274 HH21 ARG 71 HH21 ARG 71 -3.462 -7.688 -53.268 275 HH22 ARG 71 HH22 ARG 71 -3.312 -5.970 -53.118 276 H HIS 72 H HIS 72 5.388 -7.938 -50.529 277 HA HIS 72 HA HIS 72 6.405 -6.456 -52.773 278 HB2 HIS 72 HB2 HIS 72 7.182 -6.851 -49.930 279 HB3 HIS 72 HB3 HIS 72 8.453 -6.369 -51.050 280 HD1 HIS 72 HD1 HIS 72 8.339 -3.990 -52.020 281 HD2 HIS 72 HD2 HIS 72 5.216 -4.904 -49.437 282 HE1 HIS 72 HE1 HIS 72 7.216 -1.796 -51.521 283 H ILE 73 H ILE 73 6.646 -9.660 -51.698 284 HA ILE 73 HA ILE 73 9.280 -10.270 -52.562 285 HB ILE 73 HB ILE 73 6.904 -12.110 -52.264 286 HG12 ILE 73 HG12 ILE 73 7.527 -10.899 -50.191 287 HG13 ILE 73 HG13 ILE 73 7.812 -12.631 -50.069 288 HG21 ILE 73 HG21 ILE 73 9.668 -12.544 -53.110 289 HG22 ILE 73 HG22 ILE 73 9.142 -13.604 -51.803 290 HG23 ILE 73 HG23 ILE 73 8.243 -13.562 -53.319 291 HD11 ILE 73 HD11 ILE 73 10.132 -11.159 -51.019 292 HD12 ILE 73 HD12 ILE 73 9.591 -10.661 -49.415 293 HD13 ILE 73 HD13 ILE 73 9.990 -12.351 -49.727 294 H VAL 74 H VAL 74 6.276 -9.855 -54.203 295 HA VAL 74 HA VAL 74 6.806 -11.406 -56.510 296 HB VAL 74 HB VAL 74 5.106 -8.920 -56.461 297 HG11 VAL 74 HG11 VAL 74 5.163 -9.659 -58.643 298 HG12 VAL 74 HG12 VAL 74 5.298 -11.356 -58.177 299 HG13 VAL 74 HG13 VAL 74 3.754 -10.517 -58.020 300 HG21 VAL 74 HG21 VAL 74 3.863 -9.852 -54.865 301 HG22 VAL 74 HG22 VAL 74 3.437 -11.103 -56.033 302 HG23 VAL 74 HG23 VAL 74 4.789 -11.352 -54.929 303 H ARG 75 H ARG 75 7.254 -10.593 -58.670 304 HA ARG 75 HA ARG 75 9.625 -9.263 -58.936 305 HB2 ARG 75 HB2 ARG 75 7.314 -9.626 -60.812 306 HB3 ARG 75 HB3 ARG 75 8.706 -8.672 -61.306 307 HG2 ARG 75 HG2 ARG 75 9.117 -10.820 -62.127 308 HG3 ARG 75 HG3 ARG 75 10.116 -10.691 -60.678 309 HD2 ARG 75 HD2 ARG 75 8.942 -12.852 -60.831 310 HD3 ARG 75 HD3 ARG 75 8.486 -11.932 -59.398 311 HE ARG 75 HE ARG 75 6.346 -11.870 -60.184 312 HH11 ARG 75 HH11 ARG 75 8.487 -12.597 -62.831 313 HH12 ARG 75 HH12 ARG 75 7.205 -12.878 -63.962 314 HH21 ARG 75 HH21 ARG 75 4.649 -12.237 -61.664 315 HH22 ARG 75 HH22 ARG 75 5.022 -12.672 -63.297 316 H LYS 76 H LYS 76 10.094 -7.334 -58.093 317 HA LYS 76 HA LYS 76 8.270 -5.244 -57.661 318 HB2 LYS 76 HB2 LYS 76 11.256 -5.451 -57.680 319 HB3 LYS 76 HB3 LYS 76 10.505 -3.864 -57.583 320 HG2 LYS 76 HG2 LYS 76 10.954 -4.537 -55.368 321 HG3 LYS 76 HG3 LYS 76 9.213 -4.715 -55.600 322 HD2 LYS 76 HD2 LYS 76 9.288 -6.939 -55.307 323 HD3 LYS 76 HD3 LYS 76 10.752 -7.110 -56.278 324 HE2 LYS 76 HE2 LYS 76 10.818 -5.961 -53.506 325 HE3 LYS 76 HE3 LYS 76 10.886 -7.700 -53.788 326 HZ1 LYS 76 HZ1 LYS 76 12.848 -5.630 -54.532 327 HZ2 LYS 76 HZ2 LYS 76 12.797 -7.096 -55.373 328 HZ3 LYS 76 HZ3 LYS 76 13.098 -7.087 -53.709 329 H ARG 77 H ARG 77 9.929 -6.244 -60.485 330 HA ARG 77 HA ARG 77 10.235 -3.881 -61.906 331 HB2 ARG 77 HB2 ARG 77 9.837 -6.735 -62.636 332 HB3 ARG 77 HB3 ARG 77 9.592 -5.542 -63.905 333 HG2 ARG 77 HG2 ARG 77 11.911 -4.644 -63.077 334 HG3 ARG 77 HG3 ARG 77 12.079 -6.286 -62.453 335 HD2 ARG 77 HD2 ARG 77 11.281 -6.938 -64.870 336 HD3 ARG 77 HD3 ARG 77 11.880 -5.329 -65.270 337 HE ARG 77 HE ARG 77 13.996 -6.152 -65.116 338 HH11 ARG 77 HH11 ARG 77 11.871 -8.229 -63.302 339 HH12 ARG 77 HH12 ARG 77 13.106 -9.386 -62.930 340 HH21 ARG 77 HH21 ARG 77 15.631 -7.668 -64.632 341 HH22 ARG 77 HH22 ARG 77 15.245 -9.065 -63.686 342 H THR 78 H THR 78 7.357 -5.791 -61.307 343 HA THR 78 HA THR 78 5.614 -4.797 -63.201 344 HB THR 78 HB THR 78 5.018 -6.597 -61.632 345 HG1 THR 78 HG1 THR 78 3.250 -5.700 -62.589 346 HG21 THR 78 HG21 THR 78 5.897 -4.898 -59.668 347 HG22 THR 78 HG22 THR 78 4.958 -6.366 -59.398 348 HG23 THR 78 HG23 THR 78 4.146 -4.804 -59.491 349 H LEU 79 H LEU 79 6.792 -3.276 -60.277 350 HA LEU 79 HA LEU 79 4.903 -1.156 -60.210 351 HB2 LEU 79 HB2 LEU 79 7.587 -1.620 -58.969 352 HB3 LEU 79 HB3 LEU 79 6.798 -0.050 -58.831 353 HG LEU 79 HG LEU 79 4.859 -1.200 -57.758 354 HD11 LEU 79 HD11 LEU 79 4.799 -3.408 -58.200 355 HD12 LEU 79 HD12 LEU 79 5.796 -3.508 -56.749 356 HD13 LEU 79 HD13 LEU 79 6.552 -3.540 -58.342 357 HD21 LEU 79 HD21 LEU 79 7.481 -0.693 -56.683 358 HD22 LEU 79 HD22 LEU 79 6.685 -1.994 -55.797 359 HD23 LEU 79 HD23 LEU 79 5.897 -0.423 -55.954 360 H ARG 80 H ARG 80 8.028 -1.598 -61.753 361 HA ARG 80 HA ARG 80 8.347 1.116 -62.557 362 HB2 ARG 80 HB2 ARG 80 9.644 -1.477 -63.330 363 HB3 ARG 80 HB3 ARG 80 9.976 -0.014 -64.247 364 HG2 ARG 80 HG2 ARG 80 10.319 -0.152 -61.268 365 HG3 ARG 80 HG3 ARG 80 11.599 -0.605 -62.395 366 HD2 ARG 80 HD2 ARG 80 11.838 1.558 -63.193 367 HD3 ARG 80 HD3 ARG 80 10.224 2.036 -62.668 368 HE ARG 80 HE ARG 80 11.594 1.469 -60.361 369 HH11 ARG 80 HH11 ARG 80 12.015 3.638 -63.051 370 HH12 ARG 80 HH12 ARG 80 12.833 4.846 -62.117 371 HH21 ARG 80 HH21 ARG 80 12.670 3.052 -59.120 372 HH22 ARG 80 HH22 ARG 80 13.206 4.511 -59.881 373 H ARG 81 H ARG 81 7.015 -1.774 -64.089 374 HA ARG 81 HA ARG 81 6.567 -0.514 -66.617 375 HB2 ARG 81 HB2 ARG 81 5.817 -3.123 -65.370 376 HB3 ARG 81 HB3 ARG 81 4.961 -2.599 -66.814 377 HG2 ARG 81 HG2 ARG 81 7.953 -2.862 -66.606 378 HG3 ARG 81 HG3 ARG 81 6.877 -4.091 -67.275 379 HD2 ARG 81 HD2 ARG 81 6.059 -2.030 -68.734 380 HD3 ARG 81 HD3 ARG 81 7.689 -1.459 -68.384 381 HE ARG 81 HE ARG 81 8.102 -3.987 -69.240 382 HH11 ARG 81 HH11 ARG 81 6.333 -1.288 -70.547 383 HH12 ARG 81 HH12 ARG 81 6.586 -1.753 -72.196 384 HH21 ARG 81 HH21 ARG 81 8.442 -4.610 -71.408 385 HH22 ARG 81 HH22 ARG 81 7.785 -3.643 -72.685 386 H LEU 82 H LEU 82 4.538 -1.285 -63.816 387 HA LEU 82 HA LEU 82 2.069 -0.523 -64.829 388 HB2 LEU 82 HB2 LEU 82 3.241 -0.520 -62.076 389 HB3 LEU 82 HB3 LEU 82 1.618 0.108 -62.356 390 HG LEU 82 HG LEU 82 2.347 -2.653 -63.257 391 HD11 LEU 82 HD11 LEU 82 2.069 -1.692 -60.491 392 HD12 LEU 82 HD12 LEU 82 2.863 -3.134 -61.122 393 HD13 LEU 82 HD13 LEU 82 1.113 -3.116 -60.904 394 HD21 LEU 82 HD21 LEU 82 0.175 -1.313 -63.797 395 HD22 LEU 82 HD22 LEU 82 -0.275 -1.751 -62.149 396 HD23 LEU 82 HD23 LEU 82 0.073 -3.012 -63.334 397 H LEU 83 H LEU 83 4.621 1.444 -63.389 398 HA LEU 83 HA LEU 83 3.175 3.862 -63.266 399 HB2 LEU 83 HB2 LEU 83 6.074 3.143 -63.285 400 HB3 LEU 83 HB3 LEU 83 5.593 4.832 -63.427 401 HG LEU 83 HG LEU 83 4.668 3.103 -61.149 402 HD11 LEU 83 HD11 LEU 83 6.600 3.296 -60.044 403 HD12 LEU 83 HD12 LEU 83 6.857 4.953 -60.591 404 HD13 LEU 83 HD13 LEU 83 7.315 3.601 -61.628 405 HD21 LEU 83 HD21 LEU 83 4.746 5.510 -60.125 406 HD22 LEU 83 HD22 LEU 83 3.386 5.010 -61.131 407 HD23 LEU 83 HD23 LEU 83 4.669 6.011 -61.814 408 H GLN 84 H GLN 84 5.217 2.434 -65.774 409 HA GLN 84 HA GLN 84 5.366 4.579 -67.528 410 HB2 GLN 84 HB2 GLN 84 5.208 1.623 -68.132 411 HB3 GLN 84 HB3 GLN 84 5.643 2.852 -69.313 412 HG2 GLN 84 HG2 GLN 84 7.175 2.698 -66.767 413 HG3 GLN 84 HG3 GLN 84 7.476 1.501 -68.025 414 HE21 GLN 84 HE21 GLN 84 8.661 2.050 -69.761 415 HE22 GLN 84 HE22 GLN 84 9.324 3.621 -70.037 416 H GLU 85 H GLU 85 2.774 2.262 -67.015 417 HA GLU 85 HA GLU 85 1.234 3.157 -69.270 418 HB2 GLU 85 HB2 GLU 85 0.875 1.195 -67.067 419 HB3 GLU 85 HB3 GLU 85 -0.581 1.828 -67.822 420 HG2 GLU 85 HG2 GLU 85 0.427 1.160 -70.036 421 HG3 GLU 85 HG3 GLU 85 1.652 0.293 -69.112 422 H ARG 86 H ARG 86 1.199 3.701 -65.779 423 HA ARG 86 HA ARG 86 -1.182 5.195 -65.666 424 HB2 ARG 86 HB2 ARG 86 1.259 5.299 -63.885 425 HB3 ARG 86 HB3 ARG 86 -0.287 6.049 -63.510 426 HG2 ARG 86 HG2 ARG 86 -0.306 3.159 -64.150 427 HG3 ARG 86 HG3 ARG 86 0.401 3.649 -62.609 428 HD2 ARG 86 HD2 ARG 86 -1.819 3.314 -62.051 429 HD3 ARG 86 HD3 ARG 86 -1.763 5.051 -62.348 430 HE ARG 86 HE ARG 86 -3.129 4.755 -64.166 431 HH11 ARG 86 HH11 ARG 86 -1.886 1.669 -63.139 432 HH12 ARG 86 HH12 ARG 86 -2.919 0.757 -64.189 433 HH21 ARG 86 HH21 ARG 86 -4.494 3.565 -65.553 434 HH22 ARG 86 HH22 ARG 86 -4.401 1.836 -65.563 435 H GLU 87 H GLU 87 2.050 6.024 -66.628 436 HA GLU 87 HA GLU 87 1.482 8.882 -66.570 437 HB2 GLU 87 HB2 GLU 87 3.790 9.209 -67.111 438 HB3 GLU 87 HB3 GLU 87 3.707 7.972 -65.865 439 HG2 GLU 87 HG2 GLU 87 4.077 6.238 -67.485 440 HG3 GLU 87 HG3 GLU 87 3.998 7.404 -68.805 441 H LEU 88 H LEU 88 1.570 6.231 -68.788 442 HA LEU 88 HA LEU 88 1.917 7.654 -71.196 443 HB2 LEU 88 HB2 LEU 88 2.114 5.185 -70.906 444 HB3 LEU 88 HB3 LEU 88 0.358 5.108 -70.784 445 HG LEU 88 HG LEU 88 0.614 6.371 -73.154 446 HD11 LEU 88 HD11 LEU 88 2.882 6.371 -73.515 447 HD12 LEU 88 HD12 LEU 88 2.412 4.865 -74.304 448 HD13 LEU 88 HD13 LEU 88 3.125 4.830 -72.691 449 HD21 LEU 88 HD21 LEU 88 -0.174 4.419 -74.092 450 HD22 LEU 88 HD22 LEU 88 -0.552 4.170 -72.387 451 HD23 LEU 88 HD23 LEU 88 0.864 3.396 -73.100 452 H VAL 89 H VAL 89 -0.864 7.072 -69.168 453 HA VAL 89 HA VAL 89 -2.769 7.993 -71.129 454 HB VAL 89 HB VAL 89 -3.119 7.492 -68.170 455 HG11 VAL 89 HG11 VAL 89 -4.992 8.691 -68.508 456 HG12 VAL 89 HG12 VAL 89 -4.918 8.509 -70.262 457 HG13 VAL 89 HG13 VAL 89 -5.578 7.211 -69.266 458 HG21 VAL 89 HG21 VAL 89 -2.695 5.672 -70.236 459 HG22 VAL 89 HG22 VAL 89 -3.323 5.322 -68.625 460 HG23 VAL 89 HG23 VAL 89 -4.436 5.644 -69.955 461 H GLU 90 H GLU 90 -1.103 9.310 -68.321 462 HA GLU 90 HA GLU 90 -0.983 11.410 -67.443 463 HB2 GLU 90 HB2 GLU 90 -0.166 11.612 -69.936 464 HB3 GLU 90 HB3 GLU 90 -1.639 12.551 -70.129 465 HG2 GLU 90 HG2 GLU 90 0.136 14.064 -69.697 466 HG3 GLU 90 HG3 GLU 90 -0.877 14.003 -68.256 467 H GLY 91 H GLY 91 -3.551 10.164 -67.313 468 HA2 GLY 91 HA2 GLY 91 -5.645 10.755 -66.560 469 HA3 GLY 91 HA3 GLY 91 -5.127 12.434 -66.613 470 H GLY 92 H GLY 92 -7.237 10.223 -67.898 471 HA2 GLY 92 HA2 GLY 92 -8.335 12.053 -69.745 472 HA3 GLY 92 HA3 GLY 92 -7.367 10.872 -70.614 Start of MODEL 3 1 H1 GLY 39 H GLY 39 5.674 1.249 -18.369 2 HA2 GLY 39 HA2 GLY 39 7.583 0.001 -16.523 3 HA3 GLY 39 HA3 GLY 39 8.019 1.536 -17.260 4 H SER 40 H SER 40 5.378 0.019 -15.417 5 HA SER 40 HA SER 40 5.307 2.352 -13.674 6 HB2 SER 40 HB2 SER 40 2.796 1.346 -15.031 7 HB3 SER 40 HB3 SER 40 2.925 2.708 -13.919 8 HG SER 40 HG SER 40 2.974 2.982 -16.401 9 H CYS 41 H CYS 41 4.654 1.900 -11.610 10 HA CYS 41 HA CYS 41 4.890 -0.690 -10.642 11 HB2 CYS 41 HB2 CYS 41 3.600 1.765 -9.456 12 HB3 CYS 41 HB3 CYS 41 3.747 0.255 -8.566 13 HG CYS 41 HG CYS 41 5.814 1.567 -7.525 14 H LYS 42 H LYS 42 2.117 0.980 -11.903 15 HA LYS 42 HA LYS 42 0.596 -1.482 -11.870 16 HB2 LYS 42 HB2 LYS 42 -1.371 -0.467 -10.781 17 HB3 LYS 42 HB3 LYS 42 0.010 -0.565 -9.697 18 HG2 LYS 42 HG2 LYS 42 0.468 1.867 -10.438 19 HG3 LYS 42 HG3 LYS 42 -1.211 1.840 -10.984 20 HD2 LYS 42 HD2 LYS 42 -1.840 1.069 -8.675 21 HD3 LYS 42 HD3 LYS 42 -0.174 1.392 -8.189 22 HE2 LYS 42 HE2 LYS 42 -1.834 3.495 -9.535 23 HE3 LYS 42 HE3 LYS 42 -1.957 3.215 -7.799 24 HZ1 LYS 42 HZ1 LYS 42 0.679 3.376 -8.083 25 HZ2 LYS 42 HZ2 LYS 42 -0.300 4.714 -7.748 26 HZ3 LYS 42 HZ3 LYS 42 0.199 4.408 -9.335 27 H ILE 43 H ILE 43 -0.610 -1.653 -13.659 28 HA ILE 43 HA ILE 43 -0.571 0.477 -15.585 29 HB ILE 43 HB ILE 43 -1.973 -2.197 -15.695 30 HG12 ILE 43 HG12 ILE 43 0.046 -2.469 -17.412 31 HG13 ILE 43 HG13 ILE 43 0.787 -1.278 -16.348 32 HG21 ILE 43 HG21 ILE 43 -1.330 -0.285 -17.935 33 HG22 ILE 43 HG22 ILE 43 -2.171 -1.828 -18.070 34 HG23 ILE 43 HG23 ILE 43 -2.923 -0.487 -17.207 35 HD11 ILE 43 HD11 ILE 43 -0.455 -3.466 -14.898 36 HD12 ILE 43 HD12 ILE 43 0.815 -3.995 -16.002 37 HD13 ILE 43 HD13 ILE 43 1.168 -2.789 -14.765 38 HA PRO 44 HA PRO 44 -4.389 2.368 -14.408 39 HB2 PRO 44 HB2 PRO 44 -4.763 3.842 -16.657 40 HB3 PRO 44 HB3 PRO 44 -3.573 4.263 -15.419 41 HG2 PRO 44 HG2 PRO 44 -3.172 2.856 -18.030 42 HG3 PRO 44 HG3 PRO 44 -2.189 4.127 -17.282 43 HD2 PRO 44 HD2 PRO 44 -1.502 1.510 -17.188 44 HD3 PRO 44 HD3 PRO 44 -1.114 2.646 -15.880 45 H SER 45 H SER 45 -6.447 3.047 -15.993 46 HA SER 45 HA SER 45 -7.344 0.471 -17.105 47 HB2 SER 45 HB2 SER 45 -8.668 0.966 -15.187 48 HB3 SER 45 HB3 SER 45 -8.871 2.649 -15.675 49 HG SER 45 HG SER 45 -9.888 0.397 -17.075 50 H ILE 46 H ILE 46 -7.242 3.946 -17.573 51 HA ILE 46 HA ILE 46 -8.814 3.989 -19.946 52 HB ILE 46 HB ILE 46 -6.753 5.997 -19.028 53 HG12 ILE 46 HG12 ILE 46 -9.154 7.118 -18.466 54 HG13 ILE 46 HG13 ILE 46 -9.530 5.422 -18.185 55 HG21 ILE 46 HG21 ILE 46 -8.919 6.077 -21.104 56 HG22 ILE 46 HG22 ILE 46 -8.257 7.545 -20.388 57 HG23 ILE 46 HG23 ILE 46 -7.205 6.450 -21.284 58 HD11 ILE 46 HD11 ILE 46 -8.649 6.941 -16.255 59 HD12 ILE 46 HD12 ILE 46 -8.113 5.266 -16.397 60 HD13 ILE 46 HD13 ILE 46 -7.076 6.575 -16.964 61 H ALA 47 H ALA 47 -5.731 2.831 -19.324 62 HA ALA 47 HA ALA 47 -4.828 3.275 -22.085 63 HB1 ALA 47 HB1 ALA 47 -3.358 3.857 -20.076 64 HB2 ALA 47 HB2 ALA 47 -3.148 2.116 -19.885 65 HB3 ALA 47 HB3 ALA 47 -2.629 2.908 -21.372 66 H THR 48 H THR 48 -6.368 0.997 -20.202 67 HA THR 48 HA THR 48 -5.183 -1.416 -21.037 68 HB THR 48 HB THR 48 -7.293 -2.496 -20.385 69 HG1 THR 48 HG1 THR 48 -8.210 0.189 -20.343 70 HG21 THR 48 HG21 THR 48 -7.449 -1.261 -18.046 71 HG22 THR 48 HG22 THR 48 -5.988 -0.469 -18.637 72 HG23 THR 48 HG23 THR 48 -6.040 -2.225 -18.486 73 H GLY 49 H GLY 49 -8.122 0.212 -22.252 74 HA2 GLY 49 HA2 GLY 49 -8.774 -1.474 -24.317 75 HA3 GLY 49 HA3 GLY 49 -9.030 0.264 -24.366 76 H MET 50 H MET 50 -6.396 1.159 -24.398 77 HA MET 50 HA MET 50 -5.779 0.973 -27.131 78 HB2 MET 50 HB2 MET 50 -3.900 1.812 -24.920 79 HB3 MET 50 HB3 MET 50 -3.801 2.258 -26.618 80 HG2 MET 50 HG2 MET 50 -5.878 3.112 -24.621 81 HG3 MET 50 HG3 MET 50 -4.656 4.115 -25.400 82 HE1 MET 50 HE1 MET 50 -5.557 2.294 -28.605 83 HE2 MET 50 HE2 MET 50 -5.742 3.976 -29.105 84 HE3 MET 50 HE3 MET 50 -4.409 3.511 -28.046 85 H VAL 51 H VAL 51 -4.208 -0.503 -24.301 86 HA VAL 51 HA VAL 51 -2.136 -1.819 -25.581 87 HB VAL 51 HB VAL 51 -3.707 -2.904 -23.240 88 HG11 VAL 51 HG11 VAL 51 -0.813 -3.301 -23.345 89 HG12 VAL 51 HG12 VAL 51 -2.104 -4.446 -22.973 90 HG13 VAL 51 HG13 VAL 51 -1.690 -4.097 -24.652 91 HG21 VAL 51 HG21 VAL 51 -2.982 -1.194 -22.025 92 HG22 VAL 51 HG22 VAL 51 -1.316 -1.598 -22.438 93 HG23 VAL 51 HG23 VAL 51 -2.232 -0.488 -23.456 94 H GLY 52 H GLY 52 -5.303 -3.229 -24.710 95 HA2 GLY 52 HA2 GLY 52 -5.024 -5.689 -25.918 96 HA3 GLY 52 HA3 GLY 52 -6.558 -4.848 -25.752 97 H ALA 53 H ALA 53 -6.114 -2.668 -27.424 98 HA ALA 53 HA ALA 53 -6.643 -3.838 -29.961 99 HB1 ALA 53 HB1 ALA 53 -6.185 -0.970 -29.153 100 HB2 ALA 53 HB2 ALA 53 -6.703 -1.484 -30.760 101 HB3 ALA 53 HB3 ALA 53 -7.734 -1.788 -29.361 102 H LEU 54 H LEU 54 -3.836 -2.286 -28.513 103 HA LEU 54 HA LEU 54 -2.284 -1.923 -30.802 104 HB2 LEU 54 HB2 LEU 54 -1.683 -2.308 -27.908 105 HB3 LEU 54 HB3 LEU 54 -0.357 -2.346 -29.068 106 HG LEU 54 HG LEU 54 -2.272 -0.034 -28.794 107 HD11 LEU 54 HD11 LEU 54 -1.165 -0.112 -26.721 108 HD12 LEU 54 HD12 LEU 54 -0.269 1.062 -27.685 109 HD13 LEU 54 HD13 LEU 54 0.369 -0.567 -27.463 110 HD21 LEU 54 HD21 LEU 54 0.279 -0.505 -30.305 111 HD22 LEU 54 HD22 LEU 54 -0.290 1.119 -29.920 112 HD23 LEU 54 HD23 LEU 54 -1.281 0.050 -30.914 113 H LEU 55 H LEU 55 -2.397 -4.696 -28.575 114 HA LEU 55 HA LEU 55 -0.534 -6.265 -30.019 115 HB2 LEU 55 HB2 LEU 55 -2.697 -7.435 -28.312 116 HB3 LEU 55 HB3 LEU 55 -1.042 -7.995 -28.545 117 HG LEU 55 HG LEU 55 -2.027 -5.730 -26.833 118 HD11 LEU 55 HD11 LEU 55 -2.020 -7.537 -25.466 119 HD12 LEU 55 HD12 LEU 55 -0.316 -7.106 -25.325 120 HD13 LEU 55 HD13 LEU 55 -0.811 -8.397 -26.420 121 HD21 LEU 55 HD21 LEU 55 -0.196 -4.593 -27.431 122 HD22 LEU 55 HD22 LEU 55 0.529 -5.991 -28.226 123 HD23 LEU 55 HD23 LEU 55 0.685 -5.789 -26.480 124 H LEU 56 H LEU 56 -4.088 -6.280 -29.910 125 HA LEU 56 HA LEU 56 -4.604 -8.390 -31.604 126 HB2 LEU 56 HB2 LEU 56 -6.157 -6.689 -30.306 127 HB3 LEU 56 HB3 LEU 56 -6.245 -5.926 -31.892 128 HG LEU 56 HG LEU 56 -6.936 -8.285 -32.718 129 HD11 LEU 56 HD11 LEU 56 -8.133 -8.684 -30.055 130 HD12 LEU 56 HD12 LEU 56 -6.411 -9.037 -30.192 131 HD13 LEU 56 HD13 LEU 56 -7.566 -9.863 -31.238 132 HD21 LEU 56 HD21 LEU 56 -9.330 -7.762 -31.772 133 HD22 LEU 56 HD22 LEU 56 -8.571 -6.697 -32.956 134 HD23 LEU 56 HD23 LEU 56 -8.558 -6.267 -31.245 135 H LEU 57 H LEU 57 -4.427 -4.960 -32.578 136 HA LEU 57 HA LEU 57 -4.598 -5.344 -35.318 137 HB2 LEU 57 HB2 LEU 57 -3.113 -3.232 -33.765 138 HB3 LEU 57 HB3 LEU 57 -3.400 -3.163 -35.503 139 HG LEU 57 HG LEU 57 -5.487 -3.073 -33.326 140 HD11 LEU 57 HD11 LEU 57 -5.327 -0.864 -33.435 141 HD12 LEU 57 HD12 LEU 57 -5.473 -0.889 -35.192 142 HD13 LEU 57 HD13 LEU 57 -3.889 -1.063 -34.436 143 HD21 LEU 57 HD21 LEU 57 -5.812 -2.995 -36.324 144 HD22 LEU 57 HD22 LEU 57 -7.093 -2.735 -35.139 145 HD23 LEU 57 HD23 LEU 57 -6.308 -4.311 -35.259 146 H LEU 58 H LEU 58 -1.731 -5.325 -33.238 147 HA LEU 58 HA LEU 58 0.243 -5.482 -35.178 148 HB2 LEU 58 HB2 LEU 58 0.010 -6.329 -32.346 149 HB3 LEU 58 HB3 LEU 58 1.358 -6.980 -33.277 150 HG LEU 58 HG LEU 58 0.818 -4.028 -33.031 151 HD11 LEU 58 HD11 LEU 58 1.239 -5.302 -30.827 152 HD12 LEU 58 HD12 LEU 58 2.212 -3.875 -31.184 153 HD13 LEU 58 HD13 LEU 58 2.886 -5.486 -31.432 154 HD21 LEU 58 HD21 LEU 58 2.220 -4.468 -34.870 155 HD22 LEU 58 HD22 LEU 58 3.123 -5.702 -33.990 156 HD23 LEU 58 HD23 LEU 58 3.301 -4.001 -33.557 157 H VAL 59 H VAL 59 -1.453 -8.154 -33.547 158 HA VAL 59 HA VAL 59 -0.173 -10.208 -35.021 159 HB VAL 59 HB VAL 59 -2.883 -10.390 -33.706 160 HG11 VAL 59 HG11 VAL 59 -1.735 -12.764 -33.285 161 HG12 VAL 59 HG12 VAL 59 -2.680 -12.405 -34.731 162 HG13 VAL 59 HG13 VAL 59 -0.919 -12.324 -34.785 163 HG21 VAL 59 HG21 VAL 59 -1.864 -9.887 -31.787 164 HG22 VAL 59 HG22 VAL 59 -1.020 -11.428 -31.943 165 HG23 VAL 59 HG23 VAL 59 -0.266 -9.947 -32.532 166 H VAL 60 H VAL 60 -3.338 -8.628 -35.360 167 HA VAL 60 HA VAL 60 -4.353 -10.111 -37.470 168 HB VAL 60 HB VAL 60 -4.724 -7.156 -36.961 169 HG11 VAL 60 HG11 VAL 60 -5.481 -7.528 -39.150 170 HG12 VAL 60 HG12 VAL 60 -6.171 -9.099 -38.736 171 HG13 VAL 60 HG13 VAL 60 -6.932 -7.619 -38.151 172 HG21 VAL 60 HG21 VAL 60 -5.406 -9.263 -35.332 173 HG22 VAL 60 HG22 VAL 60 -6.152 -7.665 -35.316 174 HG23 VAL 60 HG23 VAL 60 -6.888 -8.971 -36.244 175 H ALA 61 H ALA 61 -2.610 -7.004 -37.703 176 HA ALA 61 HA ALA 61 -2.408 -6.995 -40.504 177 HB1 ALA 61 HB1 ALA 61 -0.945 -5.579 -38.314 178 HB2 ALA 61 HB2 ALA 61 -0.414 -5.419 -39.989 179 HB3 ALA 61 HB3 ALA 61 -2.045 -4.928 -39.530 180 H LEU 62 H LEU 62 -0.394 -8.427 -38.015 181 HA LEU 62 HA LEU 62 1.864 -8.981 -39.611 182 HB2 LEU 62 HB2 LEU 62 0.794 -9.943 -37.017 183 HB3 LEU 62 HB3 LEU 62 2.017 -10.935 -37.809 184 HG LEU 62 HG LEU 62 2.459 -8.014 -37.258 185 HD11 LEU 62 HD11 LEU 62 2.203 -10.114 -35.330 186 HD12 LEU 62 HD12 LEU 62 2.564 -8.407 -35.080 187 HD13 LEU 62 HD13 LEU 62 3.873 -9.549 -35.381 188 HD21 LEU 62 HD21 LEU 62 4.275 -10.363 -37.780 189 HD22 LEU 62 HD22 LEU 62 4.830 -8.755 -37.313 190 HD23 LEU 62 HD23 LEU 62 3.979 -8.985 -38.841 191 H GLY 63 H GLY 63 -0.722 -11.198 -38.528 192 HA2 GLY 63 HA2 GLY 63 0.000 -13.406 -40.032 193 HA3 GLY 63 HA3 GLY 63 -1.648 -13.036 -39.547 194 H ILE 64 H ILE 64 -2.236 -10.801 -40.972 195 HA ILE 64 HA ILE 64 -2.793 -11.851 -43.536 196 HB ILE 64 HB ILE 64 -2.960 -8.974 -42.633 197 HG12 ILE 64 HG12 ILE 64 -5.152 -11.053 -42.685 198 HG13 ILE 64 HG13 ILE 64 -4.236 -10.646 -41.239 199 HG21 ILE 64 HG21 ILE 64 -4.388 -10.382 -44.883 200 HG22 ILE 64 HG22 ILE 64 -4.537 -8.682 -44.441 201 HG23 ILE 64 HG23 ILE 64 -3.012 -9.297 -45.078 202 HD11 ILE 64 HD11 ILE 64 -5.732 -8.572 -42.799 203 HD12 ILE 64 HD12 ILE 64 -6.500 -9.543 -41.543 204 HD13 ILE 64 HD13 ILE 64 -5.141 -8.493 -41.140 205 H GLY 65 H GLY 65 -0.416 -9.501 -42.369 206 HA2 GLY 65 HA2 GLY 65 0.565 -8.697 -44.884 207 HA3 GLY 65 HA3 GLY 65 1.443 -8.595 -43.365 208 H LEU 66 H LEU 66 1.796 -11.171 -42.637 209 HA LEU 66 HA LEU 66 3.931 -11.996 -44.279 210 HB2 LEU 66 HB2 LEU 66 2.471 -13.194 -41.967 211 HB3 LEU 66 HB3 LEU 66 3.623 -14.176 -42.870 212 HG LEU 66 HG LEU 66 4.358 -11.539 -41.618 213 HD11 LEU 66 HD11 LEU 66 5.043 -12.601 -39.668 214 HD12 LEU 66 HD12 LEU 66 4.968 -14.205 -40.397 215 HD13 LEU 66 HD13 LEU 66 3.480 -13.344 -40.007 216 HD21 LEU 66 HD21 LEU 66 5.715 -13.561 -43.213 217 HD22 LEU 66 HD22 LEU 66 6.555 -13.194 -41.706 218 HD23 LEU 66 HD23 LEU 66 6.185 -11.901 -42.848 219 H PHE 67 H PHE 67 0.552 -12.856 -44.191 220 HA PHE 67 HA PHE 67 0.813 -15.194 -45.825 221 HB2 PHE 67 HB2 PHE 67 -1.100 -14.520 -44.175 222 HB3 PHE 67 HB3 PHE 67 -1.744 -13.649 -45.562 223 HD1 PHE 67 HD1 PHE 67 -0.451 -17.020 -44.637 224 HD2 PHE 67 HD2 PHE 67 -3.173 -14.747 -46.991 225 HE1 PHE 67 HE1 PHE 67 -1.470 -19.102 -45.463 226 HE2 PHE 67 HE2 PHE 67 -4.197 -16.825 -47.819 227 HZ PHE 67 HZ PHE 67 -3.347 -19.006 -47.055 228 H MET 68 H MET 68 -0.251 -11.853 -46.394 229 HA MET 68 HA MET 68 -0.706 -12.245 -49.183 230 HB2 MET 68 HB2 MET 68 -0.273 -9.658 -47.680 231 HB3 MET 68 HB3 MET 68 -0.980 -9.825 -49.281 232 HG2 MET 68 HG2 MET 68 -2.241 -11.271 -47.012 233 HG3 MET 68 HG3 MET 68 -2.472 -9.529 -47.144 234 HE1 MET 68 HE1 MET 68 -5.657 -11.372 -48.060 235 HE2 MET 68 HE2 MET 68 -4.638 -12.758 -48.448 236 HE3 MET 68 HE3 MET 68 -4.339 -11.826 -46.980 237 H ARG 69 H ARG 69 2.081 -11.725 -47.287 238 HA ARG 69 HA ARG 69 3.755 -10.254 -48.913 239 HB2 ARG 69 HB2 ARG 69 4.166 -12.398 -46.894 240 HB3 ARG 69 HB3 ARG 69 5.529 -11.995 -47.930 241 HG2 ARG 69 HG2 ARG 69 4.360 -9.582 -46.955 242 HG3 ARG 69 HG3 ARG 69 4.658 -10.675 -45.602 243 HD2 ARG 69 HD2 ARG 69 6.564 -9.154 -46.154 244 HD3 ARG 69 HD3 ARG 69 6.964 -10.871 -46.170 245 HE ARG 69 HE ARG 69 6.233 -9.822 -48.746 246 HH11 ARG 69 HH11 ARG 69 8.830 -10.318 -46.481 247 HH12 ARG 69 HH12 ARG 69 10.068 -10.274 -47.692 248 HH21 ARG 69 HH21 ARG 69 7.854 -9.763 -50.349 249 HH22 ARG 69 HH22 ARG 69 9.512 -9.957 -49.891 250 H ARG 70 H ARG 70 2.816 -13.630 -49.177 251 HA ARG 70 HA ARG 70 4.664 -14.590 -50.977 252 HB2 ARG 70 HB2 ARG 70 1.706 -15.189 -51.091 253 HB3 ARG 70 HB3 ARG 70 3.021 -16.220 -51.641 254 HG2 ARG 70 HG2 ARG 70 3.806 -16.362 -49.282 255 HG3 ARG 70 HG3 ARG 70 2.353 -15.484 -48.802 256 HD2 ARG 70 HD2 ARG 70 0.947 -17.236 -49.393 257 HD3 ARG 70 HD3 ARG 70 2.146 -17.965 -50.461 258 HE ARG 70 HE ARG 70 2.919 -17.939 -47.692 259 HH11 ARG 70 HH11 ARG 70 1.193 -19.667 -50.172 260 HH12 ARG 70 HH12 ARG 70 1.329 -21.202 -49.380 261 HH21 ARG 70 HH21 ARG 70 3.105 -19.954 -46.639 262 HH22 ARG 70 HH22 ARG 70 2.415 -21.364 -47.370 263 H ARG 71 H ARG 71 1.773 -12.659 -51.627 264 HA ARG 71 HA ARG 71 2.056 -12.745 -54.465 265 HB2 ARG 71 HB2 ARG 71 0.342 -11.286 -52.521 266 HB3 ARG 71 HB3 ARG 71 0.511 -10.590 -54.127 267 HG2 ARG 71 HG2 ARG 71 -0.557 -12.352 -55.152 268 HG3 ARG 71 HG3 ARG 71 -0.187 -13.475 -53.842 269 HD2 ARG 71 HD2 ARG 71 -1.846 -12.554 -52.447 270 HD3 ARG 71 HD3 ARG 71 -2.019 -11.124 -53.465 271 HE ARG 71 HE ARG 71 -3.348 -13.625 -53.787 272 HH11 ARG 71 HH11 ARG 71 -2.050 -10.901 -55.523 273 HH12 ARG 71 HH12 ARG 71 -3.115 -11.089 -56.876 274 HH21 ARG 71 HH21 ARG 71 -4.756 -13.883 -55.563 275 HH22 ARG 71 HH22 ARG 71 -4.655 -12.786 -56.898 276 H HIS 72 H HIS 72 3.184 -10.617 -51.923 277 HA HIS 72 HA HIS 72 4.042 -8.518 -53.662 278 HB2 HIS 72 HB2 HIS 72 4.310 -9.156 -50.771 279 HB3 HIS 72 HB3 HIS 72 5.503 -8.061 -51.463 280 HD1 HIS 72 HD1 HIS 72 1.850 -8.130 -52.421 281 HD2 HIS 72 HD2 HIS 72 4.552 -5.726 -50.376 282 HE1 HIS 72 HE1 HIS 72 0.622 -5.985 -51.954 283 H ILE 73 H ILE 73 5.265 -11.584 -52.919 284 HA ILE 73 HA ILE 73 8.005 -11.294 -52.896 285 HB ILE 73 HB ILE 73 6.403 -13.462 -54.257 286 HG12 ILE 73 HG12 ILE 73 5.882 -13.290 -51.894 287 HG13 ILE 73 HG13 ILE 73 6.871 -14.720 -52.165 288 HG21 ILE 73 HG21 ILE 73 9.311 -13.386 -53.468 289 HG22 ILE 73 HG22 ILE 73 8.447 -14.829 -53.997 290 HG23 ILE 73 HG23 ILE 73 8.660 -13.473 -55.104 291 HD11 ILE 73 HD11 ILE 73 7.814 -12.081 -51.073 292 HD12 ILE 73 HD12 ILE 73 7.580 -13.576 -50.167 293 HD13 ILE 73 HD13 ILE 73 8.841 -13.477 -51.395 294 H VAL 74 H VAL 74 5.793 -10.894 -55.548 295 HA VAL 74 HA VAL 74 7.629 -11.126 -57.680 296 HB VAL 74 HB VAL 74 5.192 -9.353 -57.690 297 HG11 VAL 74 HG11 VAL 74 6.151 -9.014 -59.727 298 HG12 VAL 74 HG12 VAL 74 6.953 -10.586 -59.736 299 HG13 VAL 74 HG13 VAL 74 5.230 -10.470 -60.099 300 HG21 VAL 74 HG21 VAL 74 4.459 -11.805 -58.764 301 HG22 VAL 74 HG22 VAL 74 5.354 -12.218 -57.301 302 HG23 VAL 74 HG23 VAL 74 3.958 -11.145 -57.207 303 H ARG 75 H ARG 75 8.473 -9.410 -59.026 304 HA ARG 75 HA ARG 75 10.045 -7.577 -57.727 305 HB2 ARG 75 HB2 ARG 75 8.896 -7.292 -60.509 306 HB3 ARG 75 HB3 ARG 75 10.306 -6.444 -59.889 307 HG2 ARG 75 HG2 ARG 75 10.366 -9.392 -59.735 308 HG3 ARG 75 HG3 ARG 75 10.461 -8.675 -61.344 309 HD2 ARG 75 HD2 ARG 75 12.686 -8.791 -60.739 310 HD3 ARG 75 HD3 ARG 75 12.264 -7.145 -60.269 311 HE ARG 75 HE ARG 75 12.617 -7.718 -58.082 312 HH11 ARG 75 HH11 ARG 75 12.326 -10.617 -59.987 313 HH12 ARG 75 HH12 ARG 75 12.784 -11.671 -58.691 314 HH21 ARG 75 HH21 ARG 75 13.222 -9.095 -56.368 315 HH22 ARG 75 HH22 ARG 75 13.293 -10.804 -56.632 316 H LYS 76 H LYS 76 9.293 -6.153 -56.280 317 HA LYS 76 HA LYS 76 6.785 -4.888 -56.373 318 HB2 LYS 76 HB2 LYS 76 9.305 -4.053 -54.925 319 HB3 LYS 76 HB3 LYS 76 7.703 -3.397 -54.618 320 HG2 LYS 76 HG2 LYS 76 7.455 -4.978 -53.087 321 HG3 LYS 76 HG3 LYS 76 7.377 -6.146 -54.408 322 HD2 LYS 76 HD2 LYS 76 9.782 -6.475 -54.290 323 HD3 LYS 76 HD3 LYS 76 9.906 -5.251 -53.024 324 HE2 LYS 76 HE2 LYS 76 8.532 -7.928 -52.869 325 HE3 LYS 76 HE3 LYS 76 9.961 -7.401 -51.981 326 HZ1 LYS 76 HZ1 LYS 76 8.227 -7.197 -50.467 327 HZ2 LYS 76 HZ2 LYS 76 7.153 -6.563 -51.609 328 HZ3 LYS 76 HZ3 LYS 76 8.432 -5.616 -51.033 329 H ARG 77 H ARG 77 9.737 -4.206 -57.982 330 HA ARG 77 HA ARG 77 9.590 -1.453 -58.362 331 HB2 ARG 77 HB2 ARG 77 10.829 -3.721 -59.828 332 HB3 ARG 77 HB3 ARG 77 10.670 -2.200 -60.696 333 HG2 ARG 77 HG2 ARG 77 11.768 -1.177 -58.576 334 HG3 ARG 77 HG3 ARG 77 12.290 -2.835 -58.273 335 HD2 ARG 77 HD2 ARG 77 14.064 -2.062 -59.497 336 HD3 ARG 77 HD3 ARG 77 13.050 -2.712 -60.784 337 HE ARG 77 HE ARG 77 12.546 0.058 -60.242 338 HH11 ARG 77 HH11 ARG 77 14.585 -2.178 -61.964 339 HH12 ARG 77 HH12 ARG 77 15.030 -1.033 -63.186 340 HH21 ARG 77 HH21 ARG 77 13.125 1.574 -61.845 341 HH22 ARG 77 HH22 ARG 77 14.199 1.101 -63.117 342 H THR 78 H THR 78 7.865 -4.061 -59.938 343 HA THR 78 HA THR 78 6.891 -2.818 -62.200 344 HB THR 78 HB THR 78 6.508 -5.206 -61.628 345 HG1 THR 78 HG1 THR 78 4.857 -5.170 -62.968 346 HG21 THR 78 HG21 THR 78 5.219 -5.905 -59.911 347 HG22 THR 78 HG22 THR 78 4.045 -4.608 -60.133 348 HG23 THR 78 HG23 THR 78 5.544 -4.300 -59.258 349 H LEU 79 H LEU 79 5.912 -2.410 -58.867 350 HA LEU 79 HA LEU 79 3.468 -1.068 -59.358 351 HB2 LEU 79 HB2 LEU 79 5.330 -1.243 -57.021 352 HB3 LEU 79 HB3 LEU 79 3.957 -0.138 -56.990 353 HG LEU 79 HG LEU 79 2.471 -2.118 -57.396 354 HD11 LEU 79 HD11 LEU 79 3.574 -3.909 -58.189 355 HD12 LEU 79 HD12 LEU 79 3.849 -4.252 -56.482 356 HD13 LEU 79 HD13 LEU 79 5.097 -3.443 -57.430 357 HD21 LEU 79 HD21 LEU 79 2.792 -1.137 -55.171 358 HD22 LEU 79 HD22 LEU 79 4.168 -2.208 -54.903 359 HD23 LEU 79 HD23 LEU 79 2.549 -2.883 -55.090 360 H ARG 80 H ARG 80 6.784 0.063 -58.864 361 HA ARG 80 HA ARG 80 6.111 2.834 -58.945 362 HB2 ARG 80 HB2 ARG 80 8.681 1.289 -59.114 363 HB3 ARG 80 HB3 ARG 80 8.656 3.023 -59.409 364 HG2 ARG 80 HG2 ARG 80 7.329 2.975 -57.094 365 HG3 ARG 80 HG3 ARG 80 8.304 1.518 -56.893 366 HD2 ARG 80 HD2 ARG 80 9.745 3.073 -56.041 367 HD3 ARG 80 HD3 ARG 80 10.231 3.107 -57.735 368 HE ARG 80 HE ARG 80 8.231 5.009 -57.413 369 HH11 ARG 80 HH11 ARG 80 11.468 4.419 -56.275 370 HH12 ARG 80 HH12 ARG 80 11.845 6.099 -56.080 371 HH21 ARG 80 HH21 ARG 80 8.716 7.223 -57.160 372 HH22 ARG 80 HH22 ARG 80 10.279 7.693 -56.583 373 H ARG 81 H ARG 81 7.097 0.448 -61.325 374 HA ARG 81 HA ARG 81 7.530 2.332 -63.432 375 HB2 ARG 81 HB2 ARG 81 7.186 -0.662 -63.376 376 HB3 ARG 81 HB3 ARG 81 7.402 0.231 -64.875 377 HG2 ARG 81 HG2 ARG 81 9.348 0.380 -62.591 378 HG3 ARG 81 HG3 ARG 81 9.472 -0.805 -63.893 379 HD2 ARG 81 HD2 ARG 81 9.351 1.225 -65.467 380 HD3 ARG 81 HD3 ARG 81 9.720 2.181 -64.033 381 HE ARG 81 HE ARG 81 11.881 1.447 -64.149 382 HH11 ARG 81 HH11 ARG 81 9.875 -0.629 -66.095 383 HH12 ARG 81 HH12 ARG 81 11.209 -1.506 -66.767 384 HH21 ARG 81 HH21 ARG 81 13.646 0.299 -65.028 385 HH22 ARG 81 HH22 ARG 81 13.353 -0.978 -66.159 386 H LEU 82 H LEU 82 4.880 0.131 -62.573 387 HA LEU 82 HA LEU 82 3.197 0.565 -64.721 388 HB2 LEU 82 HB2 LEU 82 2.687 -0.047 -61.835 389 HB3 LEU 82 HB3 LEU 82 1.344 0.198 -62.950 390 HG LEU 82 HG LEU 82 3.446 -1.799 -63.647 391 HD11 LEU 82 HD11 LEU 82 1.470 -3.248 -62.358 392 HD12 LEU 82 HD12 LEU 82 1.803 -1.904 -61.266 393 HD13 LEU 82 HD13 LEU 82 3.114 -2.964 -61.783 394 HD21 LEU 82 HD21 LEU 82 1.472 -2.935 -64.620 395 HD22 LEU 82 HD22 LEU 82 1.743 -1.323 -65.281 396 HD23 LEU 82 HD23 LEU 82 0.471 -1.584 -64.088 397 H LEU 83 H LEU 83 3.520 2.467 -61.748 398 HA LEU 83 HA LEU 83 1.426 4.259 -62.174 399 HB2 LEU 83 HB2 LEU 83 3.997 4.373 -60.666 400 HB3 LEU 83 HB3 LEU 83 3.041 5.843 -60.846 401 HG LEU 83 HG LEU 83 2.037 3.284 -59.602 402 HD11 LEU 83 HD11 LEU 83 3.038 5.824 -58.325 403 HD12 LEU 83 HD12 LEU 83 3.775 4.226 -58.219 404 HD13 LEU 83 HD13 LEU 83 2.204 4.522 -57.476 405 HD21 LEU 83 HD21 LEU 83 0.334 5.031 -58.708 406 HD22 LEU 83 HD22 LEU 83 0.143 4.382 -60.337 407 HD23 LEU 83 HD23 LEU 83 0.850 5.981 -60.101 408 H GLN 84 H GLN 84 4.619 4.114 -63.565 409 HA GLN 84 HA GLN 84 4.510 6.772 -64.672 410 HB2 GLN 84 HB2 GLN 84 6.408 4.458 -64.973 411 HB3 GLN 84 HB3 GLN 84 6.552 5.898 -65.971 412 HG2 GLN 84 HG2 GLN 84 6.821 7.267 -63.974 413 HG3 GLN 84 HG3 GLN 84 6.655 5.832 -62.964 414 HE21 GLN 84 HE21 GLN 84 8.288 4.197 -63.121 415 HE22 GLN 84 HE22 GLN 84 9.896 4.623 -63.585 416 H GLU 85 H GLU 85 3.585 3.579 -65.641 417 HA GLU 85 HA GLU 85 3.440 4.158 -68.450 418 HB2 GLU 85 HB2 GLU 85 2.756 1.861 -66.693 419 HB3 GLU 85 HB3 GLU 85 1.913 1.970 -68.232 420 HG2 GLU 85 HG2 GLU 85 3.818 1.635 -69.461 421 HG3 GLU 85 HG3 GLU 85 4.876 2.242 -68.188 422 H ARG 86 H ARG 86 1.101 3.872 -65.799 423 HA ARG 86 HA ARG 86 -1.128 4.550 -67.489 424 HB2 ARG 86 HB2 ARG 86 -0.777 4.062 -64.547 425 HB3 ARG 86 HB3 ARG 86 -2.274 4.750 -65.164 426 HG2 ARG 86 HG2 ARG 86 -2.403 2.759 -66.712 427 HG3 ARG 86 HG3 ARG 86 -1.086 2.059 -65.768 428 HD2 ARG 86 HD2 ARG 86 -3.532 3.083 -64.389 429 HD3 ARG 86 HD3 ARG 86 -3.563 1.503 -65.172 430 HE ARG 86 HE ARG 86 -1.296 1.698 -63.508 431 HH11 ARG 86 HH11 ARG 86 -4.760 1.388 -63.349 432 HH12 ARG 86 HH12 ARG 86 -4.746 0.562 -61.826 433 HH21 ARG 86 HH21 ARG 86 -1.265 0.612 -61.503 434 HH22 ARG 86 HH22 ARG 86 -2.758 0.122 -60.776 435 H GLU 87 H GLU 87 0.538 6.160 -64.778 436 HA GLU 87 HA GLU 87 -0.706 8.692 -65.575 437 HB2 GLU 87 HB2 GLU 87 -1.026 8.493 -63.298 438 HB3 GLU 87 HB3 GLU 87 0.501 7.659 -63.048 439 HG2 GLU 87 HG2 GLU 87 1.693 9.587 -62.882 440 HG3 GLU 87 HG3 GLU 87 0.608 10.481 -63.945 441 H LEU 88 H LEU 88 0.439 10.389 -66.339 442 HA LEU 88 HA LEU 88 2.984 9.953 -67.468 443 HB2 LEU 88 HB2 LEU 88 1.193 12.304 -67.116 444 HB3 LEU 88 HB3 LEU 88 2.868 12.586 -67.586 445 HG LEU 88 HG LEU 88 1.412 12.568 -69.530 446 HD11 LEU 88 HD11 LEU 88 3.017 10.027 -69.550 447 HD12 LEU 88 HD12 LEU 88 3.756 11.628 -69.594 448 HD13 LEU 88 HD13 LEU 88 2.678 11.118 -70.893 449 HD21 LEU 88 HD21 LEU 88 -0.125 10.978 -70.009 450 HD22 LEU 88 HD22 LEU 88 -0.097 10.761 -68.259 451 HD23 LEU 88 HD23 LEU 88 0.832 9.679 -69.297 452 H VAL 89 H VAL 89 2.119 12.344 -64.963 453 HA VAL 89 HA VAL 89 4.517 11.657 -63.464 454 HB VAL 89 HB VAL 89 4.042 14.465 -64.473 455 HG11 VAL 89 HG11 VAL 89 6.226 14.930 -63.364 456 HG12 VAL 89 HG12 VAL 89 4.916 14.552 -62.244 457 HG13 VAL 89 HG13 VAL 89 6.134 13.333 -62.622 458 HG21 VAL 89 HG21 VAL 89 6.205 12.465 -65.121 459 HG22 VAL 89 HG22 VAL 89 4.948 13.046 -66.213 460 HG23 VAL 89 HG23 VAL 89 6.195 14.152 -65.637 461 H GLU 90 H GLU 90 3.678 11.279 -61.518 462 HA GLU 90 HA GLU 90 1.275 12.229 -60.514 463 HB2 GLU 90 HB2 GLU 90 2.431 10.320 -59.540 464 HB3 GLU 90 HB3 GLU 90 3.742 11.358 -59.000 465 HG2 GLU 90 HG2 GLU 90 2.362 10.879 -57.126 466 HG3 GLU 90 HG3 GLU 90 2.112 12.568 -57.566 467 H GLY 91 H GLY 91 4.556 13.493 -59.989 468 HA2 GLY 91 HA2 GLY 91 3.974 16.164 -60.010 469 HA3 GLY 91 HA3 GLY 91 3.639 15.671 -58.357 470 H GLY 92 H GLY 92 5.763 13.631 -58.382 471 HA2 GLY 92 HA2 GLY 92 8.160 13.583 -58.537 472 HA3 GLY 92 HA3 GLY 92 8.155 15.340 -58.541 Start of MODEL 4 1 H1 GLY 39 H GLY 39 1.537 0.678 -1.099 2 HA2 GLY 39 HA2 GLY 39 -1.175 0.210 -0.143 3 HA3 GLY 39 HA3 GLY 39 -0.719 1.052 -1.617 4 H SER 40 H SER 40 -1.502 0.037 -3.329 5 HA SER 40 HA SER 40 -1.052 -2.839 -3.593 6 HB2 SER 40 HB2 SER 40 -3.352 -3.240 -4.343 7 HB3 SER 40 HB3 SER 40 -3.338 -2.611 -2.696 8 HG SER 40 HG SER 40 -4.526 -1.039 -3.391 9 H CYS 41 H CYS 41 -0.402 -3.398 -5.580 10 HA CYS 41 HA CYS 41 -0.309 -1.308 -7.617 11 HB2 CYS 41 HB2 CYS 41 1.696 -2.784 -6.857 12 HB3 CYS 41 HB3 CYS 41 0.971 -4.010 -7.889 13 HG CYS 41 HG CYS 41 1.721 -0.907 -9.093 14 H LYS 42 H LYS 42 -1.114 -1.557 -9.694 15 HA LYS 42 HA LYS 42 -2.264 -3.900 -10.727 16 HB2 LYS 42 HB2 LYS 42 -4.662 -3.279 -10.592 17 HB3 LYS 42 HB3 LYS 42 -3.958 -3.642 -9.022 18 HG2 LYS 42 HG2 LYS 42 -4.019 -0.812 -9.934 19 HG3 LYS 42 HG3 LYS 42 -5.515 -1.560 -9.371 20 HD2 LYS 42 HD2 LYS 42 -4.034 -2.317 -7.354 21 HD3 LYS 42 HD3 LYS 42 -2.994 -0.988 -7.872 22 HE2 LYS 42 HE2 LYS 42 -5.939 -0.712 -7.289 23 HE3 LYS 42 HE3 LYS 42 -4.664 -0.374 -6.119 24 HZ1 LYS 42 HZ1 LYS 42 -3.801 1.153 -8.033 25 HZ2 LYS 42 HZ2 LYS 42 -5.017 1.692 -6.988 26 HZ3 LYS 42 HZ3 LYS 42 -5.418 1.119 -8.528 27 H ILE 43 H ILE 43 -2.868 -3.655 -12.859 28 HA ILE 43 HA ILE 43 -1.825 -1.520 -14.299 29 HB ILE 43 HB ILE 43 -4.042 -3.381 -15.163 30 HG12 ILE 43 HG12 ILE 43 -2.003 -4.555 -14.401 31 HG13 ILE 43 HG13 ILE 43 -2.271 -4.749 -16.130 32 HG21 ILE 43 HG21 ILE 43 -2.106 -1.798 -16.846 33 HG22 ILE 43 HG22 ILE 43 -3.405 -2.840 -17.423 34 HG23 ILE 43 HG23 ILE 43 -3.788 -1.353 -16.557 35 HD11 ILE 43 HD11 ILE 43 0.043 -3.853 -14.829 36 HD12 ILE 43 HD12 ILE 43 -0.265 -3.938 -16.564 37 HD13 ILE 43 HD13 ILE 43 -0.628 -2.459 -15.674 38 HA PRO 44 HA PRO 44 -4.835 1.667 -13.722 39 HB2 PRO 44 HB2 PRO 44 -4.009 3.301 -15.727 40 HB3 PRO 44 HB3 PRO 44 -3.134 3.135 -14.200 41 HG2 PRO 44 HG2 PRO 44 -2.588 1.846 -16.846 42 HG3 PRO 44 HG3 PRO 44 -1.447 2.569 -15.698 43 HD2 PRO 44 HD2 PRO 44 -1.833 -0.105 -15.878 44 HD3 PRO 44 HD3 PRO 44 -1.423 0.700 -14.350 45 H SER 45 H SER 45 -6.021 3.193 -15.553 46 HA SER 45 HA SER 45 -7.451 1.268 -17.265 47 HB2 SER 45 HB2 SER 45 -9.378 2.839 -17.103 48 HB3 SER 45 HB3 SER 45 -8.891 2.187 -15.539 49 HG SER 45 HG SER 45 -9.229 4.435 -15.426 50 H ILE 46 H ILE 46 -5.973 4.448 -17.112 51 HA ILE 46 HA ILE 46 -6.723 5.289 -19.718 52 HB ILE 46 HB ILE 46 -4.385 6.187 -18.029 53 HG12 ILE 46 HG12 ILE 46 -7.111 7.452 -18.369 54 HG13 ILE 46 HG13 ILE 46 -6.645 6.462 -16.990 55 HG21 ILE 46 HG21 ILE 46 -5.617 7.294 -20.535 56 HG22 ILE 46 HG22 ILE 46 -4.645 8.282 -19.445 57 HG23 ILE 46 HG23 ILE 46 -3.932 6.875 -20.232 58 HD11 ILE 46 HD11 ILE 46 -5.668 9.178 -17.769 59 HD12 ILE 46 HD12 ILE 46 -6.370 8.640 -16.243 60 HD13 ILE 46 HD13 ILE 46 -4.737 8.144 -16.685 61 H ALA 47 H ALA 47 -4.531 2.962 -18.644 62 HA ALA 47 HA ALA 47 -2.866 3.174 -21.050 63 HB1 ALA 47 HB1 ALA 47 -1.847 2.941 -18.735 64 HB2 ALA 47 HB2 ALA 47 -2.428 1.275 -18.762 65 HB3 ALA 47 HB3 ALA 47 -1.268 1.824 -19.972 66 H THR 48 H THR 48 -5.552 1.526 -19.861 67 HA THR 48 HA THR 48 -5.206 -1.047 -20.938 68 HB THR 48 HB THR 48 -7.642 -1.267 -20.819 69 HG1 THR 48 HG1 THR 48 -8.874 0.448 -20.921 70 HG21 THR 48 HG21 THR 48 -6.765 -1.670 -18.726 71 HG22 THR 48 HG22 THR 48 -7.869 -0.341 -18.372 72 HG23 THR 48 HG23 THR 48 -6.143 -0.030 -18.553 73 H GLY 49 H GLY 49 -7.009 1.733 -22.277 74 HA2 GLY 49 HA2 GLY 49 -7.760 0.671 -24.697 75 HA3 GLY 49 HA3 GLY 49 -7.366 2.367 -24.459 76 H MET 50 H MET 50 -4.638 2.146 -23.893 77 HA MET 50 HA MET 50 -3.551 2.073 -26.482 78 HB2 MET 50 HB2 MET 50 -2.359 2.169 -23.730 79 HB3 MET 50 HB3 MET 50 -1.322 2.001 -25.139 80 HG2 MET 50 HG2 MET 50 -3.342 4.203 -24.924 81 HG3 MET 50 HG3 MET 50 -1.729 4.344 -24.228 82 HE1 MET 50 HE1 MET 50 -3.022 5.155 -28.399 83 HE2 MET 50 HE2 MET 50 -3.472 3.521 -27.911 84 HE3 MET 50 HE3 MET 50 -3.964 4.902 -26.930 85 H VAL 51 H VAL 51 -3.356 -0.256 -23.808 86 HA VAL 51 HA VAL 51 -1.650 -2.109 -24.994 87 HB VAL 51 HB VAL 51 -3.954 -2.770 -23.157 88 HG11 VAL 51 HG11 VAL 51 -3.079 -4.823 -22.923 89 HG12 VAL 51 HG12 VAL 51 -2.266 -4.475 -24.451 90 HG13 VAL 51 HG13 VAL 51 -1.421 -4.222 -22.924 91 HG21 VAL 51 HG21 VAL 51 -1.687 -1.111 -22.692 92 HG22 VAL 51 HG22 VAL 51 -2.948 -1.600 -21.560 93 HG23 VAL 51 HG23 VAL 51 -1.503 -2.592 -21.753 94 H GLY 52 H GLY 52 -5.220 -2.234 -24.876 95 HA2 GLY 52 HA2 GLY 52 -5.632 -4.447 -26.459 96 HA3 GLY 52 HA3 GLY 52 -6.737 -3.084 -26.379 97 H ALA 53 H ALA 53 -5.167 -1.099 -27.536 98 HA ALA 53 HA ALA 53 -5.522 -1.704 -30.300 99 HB1 ALA 53 HB1 ALA 53 -4.473 0.674 -28.806 100 HB2 ALA 53 HB2 ALA 53 -4.402 0.593 -30.567 101 HB3 ALA 53 HB3 ALA 53 -5.959 0.516 -29.743 102 H LEU 54 H LEU 54 -2.763 -1.547 -28.137 103 HA LEU 54 HA LEU 54 -0.702 -1.511 -30.024 104 HB2 LEU 54 HB2 LEU 54 -0.970 -2.359 -27.195 105 HB3 LEU 54 HB3 LEU 54 0.451 -2.916 -28.077 106 HG LEU 54 HG LEU 54 -0.337 -0.025 -27.725 107 HD11 LEU 54 HD11 LEU 54 1.107 -1.876 -26.005 108 HD12 LEU 54 HD12 LEU 54 0.458 -0.274 -25.657 109 HD13 LEU 54 HD13 LEU 54 2.042 -0.438 -26.413 110 HD21 LEU 54 HD21 LEU 54 2.064 0.295 -28.465 111 HD22 LEU 54 HD22 LEU 54 0.924 -0.220 -29.709 112 HD23 LEU 54 HD23 LEU 54 2.028 -1.391 -28.984 113 H LEU 55 H LEU 55 -2.308 -4.275 -28.465 114 HA LEU 55 HA LEU 55 -0.826 -6.250 -29.856 115 HB2 LEU 55 HB2 LEU 55 -3.594 -6.699 -28.811 116 HB3 LEU 55 HB3 LEU 55 -2.235 -7.819 -28.868 117 HG LEU 55 HG LEU 55 -2.724 -5.574 -26.930 118 HD11 LEU 55 HD11 LEU 55 -2.002 -7.719 -25.486 119 HD12 LEU 55 HD12 LEU 55 -2.740 -8.522 -26.872 120 HD13 LEU 55 HD13 LEU 55 -3.671 -7.359 -25.928 121 HD21 LEU 55 HD21 LEU 55 -0.522 -5.190 -26.949 122 HD22 LEU 55 HD22 LEU 55 -0.183 -6.643 -27.890 123 HD23 LEU 55 HD23 LEU 55 -0.379 -6.751 -26.140 124 H LEU 56 H LEU 56 -4.082 -4.909 -30.350 125 HA LEU 56 HA LEU 56 -4.901 -6.428 -32.497 126 HB2 LEU 56 HB2 LEU 56 -6.009 -4.432 -31.166 127 HB3 LEU 56 HB3 LEU 56 -5.449 -3.505 -32.556 128 HG LEU 56 HG LEU 56 -6.714 -5.391 -33.897 129 HD11 LEU 56 HD11 LEU 56 -8.895 -5.612 -32.293 130 HD12 LEU 56 HD12 LEU 56 -7.585 -5.766 -31.123 131 HD13 LEU 56 HD13 LEU 56 -7.669 -6.863 -32.502 132 HD21 LEU 56 HD21 LEU 56 -7.187 -2.963 -33.903 133 HD22 LEU 56 HD22 LEU 56 -8.192 -3.182 -32.470 134 HD23 LEU 56 HD23 LEU 56 -8.645 -3.951 -33.993 135 H LEU 57 H LEU 57 -3.303 -3.243 -32.721 136 HA LEU 57 HA LEU 57 -2.958 -3.198 -35.472 137 HB2 LEU 57 HB2 LEU 57 -1.229 -2.022 -33.304 138 HB3 LEU 57 HB3 LEU 57 -1.069 -1.637 -35.016 139 HG LEU 57 HG LEU 57 -3.421 -1.013 -33.232 140 HD11 LEU 57 HD11 LEU 57 -1.045 0.338 -33.556 141 HD12 LEU 57 HD12 LEU 57 -2.563 1.027 -32.980 142 HD13 LEU 57 HD13 LEU 57 -2.131 1.149 -34.685 143 HD21 LEU 57 HD21 LEU 57 -3.675 0.335 -35.659 144 HD22 LEU 57 HD22 LEU 57 -4.663 -1.005 -35.075 145 HD23 LEU 57 HD23 LEU 57 -3.259 -1.323 -36.095 146 H LEU 58 H LEU 58 -0.813 -4.506 -32.971 147 HA LEU 58 HA LEU 58 1.362 -5.185 -34.551 148 HB2 LEU 58 HB2 LEU 58 0.225 -6.186 -32.002 149 HB3 LEU 58 HB3 LEU 58 1.432 -7.191 -32.800 150 HG LEU 58 HG LEU 58 1.830 -4.331 -31.923 151 HD11 LEU 58 HD11 LEU 58 3.032 -5.123 -30.098 152 HD12 LEU 58 HD12 LEU 58 3.181 -6.745 -30.774 153 HD13 LEU 58 HD13 LEU 58 1.626 -6.188 -30.156 154 HD21 LEU 58 HD21 LEU 58 4.295 -5.291 -32.332 155 HD22 LEU 58 HD22 LEU 58 3.371 -4.451 -33.576 156 HD23 LEU 58 HD23 LEU 58 3.421 -6.214 -33.554 157 H VAL 59 H VAL 59 -1.468 -7.187 -33.736 158 HA VAL 59 HA VAL 59 -0.703 -9.401 -35.318 159 HB VAL 59 HB VAL 59 -3.525 -8.641 -34.562 160 HG11 VAL 59 HG11 VAL 59 -3.870 -11.091 -34.603 161 HG12 VAL 59 HG12 VAL 59 -3.417 -10.431 -36.176 162 HG13 VAL 59 HG13 VAL 59 -2.222 -11.285 -35.199 163 HG21 VAL 59 HG21 VAL 59 -2.894 -8.829 -32.434 164 HG22 VAL 59 HG22 VAL 59 -2.606 -10.539 -32.753 165 HG23 VAL 59 HG23 VAL 59 -1.283 -9.382 -32.890 166 H VAL 60 H VAL 60 -2.941 -6.707 -35.930 167 HA VAL 60 HA VAL 60 -3.862 -7.457 -38.434 168 HB VAL 60 HB VAL 60 -3.303 -4.655 -37.450 169 HG11 VAL 60 HG11 VAL 60 -4.814 -5.708 -39.817 170 HG12 VAL 60 HG12 VAL 60 -5.203 -4.144 -39.099 171 HG13 VAL 60 HG13 VAL 60 -3.593 -4.437 -39.756 172 HG21 VAL 60 HG21 VAL 60 -5.048 -6.515 -36.416 173 HG22 VAL 60 HG22 VAL 60 -5.169 -4.766 -36.224 174 HG23 VAL 60 HG23 VAL 60 -6.065 -5.576 -37.509 175 H ALA 61 H ALA 61 -1.152 -5.237 -37.746 176 HA ALA 61 HA ALA 61 -0.289 -5.003 -40.409 177 HB1 ALA 61 HB1 ALA 61 1.001 -4.490 -37.760 178 HB2 ALA 61 HB2 ALA 61 1.935 -4.356 -39.251 179 HB3 ALA 61 HB3 ALA 61 0.511 -3.343 -39.007 180 H LEU 62 H LEU 62 0.445 -7.345 -37.904 181 HA LEU 62 HA LEU 62 2.691 -8.535 -39.123 182 HB2 LEU 62 HB2 LEU 62 0.756 -9.295 -37.008 183 HB3 LEU 62 HB3 LEU 62 1.714 -10.586 -37.732 184 HG LEU 62 HG LEU 62 2.936 -8.126 -36.497 185 HD11 LEU 62 HD11 LEU 62 3.414 -10.278 -34.819 186 HD12 LEU 62 HD12 LEU 62 1.701 -10.407 -35.217 187 HD13 LEU 62 HD13 LEU 62 2.332 -8.919 -34.511 188 HD21 LEU 62 HD21 LEU 62 4.919 -9.022 -37.009 189 HD22 LEU 62 HD22 LEU 62 4.019 -10.021 -38.151 190 HD23 LEU 62 HD23 LEU 62 4.409 -10.646 -36.548 191 H GLY 63 H GLY 63 -0.672 -9.740 -38.975 192 HA2 GLY 63 HA2 GLY 63 -0.402 -11.869 -40.720 193 HA3 GLY 63 HA3 GLY 63 -1.893 -10.970 -40.482 194 H ILE 64 H ILE 64 -1.325 -8.529 -41.533 195 HA ILE 64 HA ILE 64 -1.588 -8.995 -44.307 196 HB ILE 64 HB ILE 64 -0.981 -6.405 -42.876 197 HG12 ILE 64 HG12 ILE 64 -3.633 -7.491 -43.842 198 HG13 ILE 64 HG13 ILE 64 -3.079 -7.582 -42.174 199 HG21 ILE 64 HG21 ILE 64 -0.808 -5.475 -44.882 200 HG22 ILE 64 HG22 ILE 64 -1.084 -7.036 -45.653 201 HG23 ILE 64 HG23 ILE 64 -2.451 -5.997 -45.252 202 HD11 ILE 64 HD11 ILE 64 -3.277 -4.959 -43.598 203 HD12 ILE 64 HD12 ILE 64 -4.678 -5.698 -42.823 204 HD13 ILE 64 HD13 ILE 64 -3.256 -5.286 -41.865 205 H GLY 65 H GLY 65 1.111 -7.853 -42.318 206 HA2 GLY 65 HA2 GLY 65 2.871 -7.218 -44.421 207 HA3 GLY 65 HA3 GLY 65 3.348 -7.621 -42.778 208 H LEU 66 H LEU 66 2.621 -10.199 -42.486 209 HA LEU 66 HA LEU 66 4.651 -11.590 -43.853 210 HB2 LEU 66 HB2 LEU 66 2.296 -12.524 -42.234 211 HB3 LEU 66 HB3 LEU 66 3.486 -13.633 -42.911 212 HG LEU 66 HG LEU 66 4.062 -11.455 -40.903 213 HD11 LEU 66 HD11 LEU 66 4.259 -13.167 -39.274 214 HD12 LEU 66 HD12 LEU 66 4.087 -14.435 -40.487 215 HD13 LEU 66 HD13 LEU 66 2.710 -13.409 -40.083 216 HD21 LEU 66 HD21 LEU 66 6.008 -11.779 -42.207 217 HD22 LEU 66 HD22 LEU 66 5.793 -13.530 -42.227 218 HD23 LEU 66 HD23 LEU 66 6.246 -12.713 -40.730 219 H PHE 67 H PHE 67 1.265 -11.104 -44.528 220 HA PHE 67 HA PHE 67 1.042 -13.178 -46.481 221 HB2 PHE 67 HB2 PHE 67 -0.833 -11.960 -45.145 222 HB3 PHE 67 HB3 PHE 67 -0.730 -10.755 -46.425 223 HD1 PHE 67 HD1 PHE 67 -1.106 -14.429 -45.946 224 HD2 PHE 67 HD2 PHE 67 -2.021 -11.013 -48.314 225 HE1 PHE 67 HE1 PHE 67 -2.586 -15.804 -47.351 226 HE2 PHE 67 HE2 PHE 67 -3.503 -12.381 -49.722 227 HZ PHE 67 HZ PHE 67 -3.788 -14.780 -49.241 228 H MET 68 H MET 68 1.514 -9.664 -46.636 229 HA MET 68 HA MET 68 1.618 -9.570 -49.482 230 HB2 MET 68 HB2 MET 68 2.692 -7.569 -47.487 231 HB3 MET 68 HB3 MET 68 2.366 -7.271 -49.190 232 HG2 MET 68 HG2 MET 68 0.144 -8.235 -47.471 233 HG3 MET 68 HG3 MET 68 0.671 -6.561 -47.313 234 HE1 MET 68 HE1 MET 68 -2.692 -6.834 -49.127 235 HE2 MET 68 HE2 MET 68 -2.185 -8.463 -49.574 236 HE3 MET 68 HE3 MET 68 -1.938 -7.883 -47.926 237 H ARG 69 H ARG 69 3.776 -10.707 -47.185 238 HA ARG 69 HA ARG 69 6.234 -9.918 -48.406 239 HB2 ARG 69 HB2 ARG 69 5.414 -11.776 -46.234 240 HB3 ARG 69 HB3 ARG 69 6.977 -12.060 -46.989 241 HG2 ARG 69 HG2 ARG 69 7.074 -9.380 -46.532 242 HG3 ARG 69 HG3 ARG 69 6.126 -9.948 -45.156 243 HD2 ARG 69 HD2 ARG 69 8.900 -10.760 -45.979 244 HD3 ARG 69 HD3 ARG 69 8.381 -10.022 -44.464 245 HE ARG 69 HE ARG 69 7.042 -12.419 -44.616 246 HH11 ARG 69 HH11 ARG 69 10.366 -11.386 -44.594 247 HH12 ARG 69 HH12 ARG 69 10.947 -12.832 -43.837 248 HH21 ARG 69 HH21 ARG 69 7.794 -14.327 -43.619 249 HH22 ARG 69 HH22 ARG 69 9.483 -14.505 -43.284 250 H ARG 70 H ARG 70 3.850 -12.036 -49.361 251 HA ARG 70 HA ARG 70 5.733 -13.773 -50.804 252 HB2 ARG 70 HB2 ARG 70 2.763 -14.193 -50.464 253 HB3 ARG 70 HB3 ARG 70 3.950 -15.357 -51.038 254 HG2 ARG 70 HG2 ARG 70 3.963 -14.200 -48.262 255 HG3 ARG 70 HG3 ARG 70 3.161 -15.711 -48.695 256 HD2 ARG 70 HD2 ARG 70 6.069 -15.212 -49.266 257 HD3 ARG 70 HD3 ARG 70 5.512 -15.878 -47.731 258 HE ARG 70 HE ARG 70 4.552 -17.286 -50.054 259 HH11 ARG 70 HH11 ARG 70 7.105 -17.002 -47.705 260 HH12 ARG 70 HH12 ARG 70 7.651 -18.634 -47.908 261 HH21 ARG 70 HH21 ARG 70 5.261 -19.437 -50.330 262 HH22 ARG 70 HH22 ARG 70 6.602 -20.018 -49.402 263 H ARG 71 H ARG 71 2.885 -11.718 -51.220 264 HA ARG 71 HA ARG 71 2.674 -12.089 -54.027 265 HB2 ARG 71 HB2 ARG 71 1.497 -10.242 -52.015 266 HB3 ARG 71 HB3 ARG 71 1.442 -9.740 -53.700 267 HG2 ARG 71 HG2 ARG 71 0.405 -12.380 -52.696 268 HG3 ARG 71 HG3 ARG 71 -0.588 -10.938 -52.910 269 HD2 ARG 71 HD2 ARG 71 -0.888 -11.521 -55.032 270 HD3 ARG 71 HD3 ARG 71 0.835 -11.261 -55.305 271 HE ARG 71 HE ARG 71 0.558 -13.802 -54.227 272 HH11 ARG 71 HH11 ARG 71 -0.422 -12.084 -57.092 273 HH12 ARG 71 HH12 ARG 71 -0.432 -13.498 -58.094 274 HH21 ARG 71 HH21 ARG 71 0.550 -15.670 -55.536 275 HH22 ARG 71 HH22 ARG 71 0.120 -15.537 -57.208 276 H HIS 72 H HIS 72 4.443 -9.854 -51.989 277 HA HIS 72 HA HIS 72 5.191 -8.079 -54.102 278 HB2 HIS 72 HB2 HIS 72 5.893 -8.416 -51.231 279 HB3 HIS 72 HB3 HIS 72 7.040 -7.545 -52.244 280 HD1 HIS 72 HD1 HIS 72 5.841 -5.885 -50.133 281 HD2 HIS 72 HD2 HIS 72 3.943 -6.445 -53.786 282 HE1 HIS 72 HE1 HIS 72 4.264 -3.942 -50.376 283 H ILE 73 H ILE 73 6.228 -11.159 -53.137 284 HA ILE 73 HA ILE 73 8.963 -11.104 -53.686 285 HB ILE 73 HB ILE 73 7.019 -13.372 -54.134 286 HG12 ILE 73 HG12 ILE 73 6.994 -12.616 -51.829 287 HG13 ILE 73 HG13 ILE 73 7.850 -14.151 -51.925 288 HG21 ILE 73 HG21 ILE 73 9.418 -14.515 -53.546 289 HG22 ILE 73 HG22 ILE 73 8.771 -14.309 -55.172 290 HG23 ILE 73 HG23 ILE 73 9.912 -13.132 -54.522 291 HD11 ILE 73 HD11 ILE 73 9.022 -12.693 -50.438 292 HD12 ILE 73 HD12 ILE 73 9.985 -12.896 -51.902 293 HD13 ILE 73 HD13 ILE 73 9.063 -11.414 -51.651 294 H VAL 74 H VAL 74 6.242 -10.982 -55.811 295 HA VAL 74 HA VAL 74 7.496 -11.913 -58.175 296 HB VAL 74 HB VAL 74 5.245 -9.911 -58.072 297 HG11 VAL 74 HG11 VAL 74 4.585 -11.309 -60.131 298 HG12 VAL 74 HG12 VAL 74 5.921 -10.167 -60.288 299 HG13 VAL 74 HG13 VAL 74 6.249 -11.889 -60.088 300 HG21 VAL 74 HG21 VAL 74 4.164 -12.470 -58.372 301 HG22 VAL 74 HG22 VAL 74 5.309 -12.599 -57.037 302 HG23 VAL 74 HG23 VAL 74 4.013 -11.404 -56.975 303 H ARG 75 H ARG 75 8.065 -10.616 -60.052 304 HA ARG 75 HA ARG 75 10.068 -8.825 -59.679 305 HB2 ARG 75 HB2 ARG 75 8.091 -8.950 -61.958 306 HB3 ARG 75 HB3 ARG 75 9.552 -7.971 -61.994 307 HG2 ARG 75 HG2 ARG 75 9.668 -10.917 -61.464 308 HG3 ARG 75 HG3 ARG 75 9.604 -10.274 -63.107 309 HD2 ARG 75 HD2 ARG 75 11.856 -10.304 -62.876 310 HD3 ARG 75 HD3 ARG 75 11.559 -8.739 -62.121 311 HE ARG 75 HE ARG 75 11.404 -10.732 -60.156 312 HH11 ARG 75 HH11 ARG 75 13.746 -9.205 -62.230 313 HH12 ARG 75 HH12 ARG 75 15.070 -9.460 -61.142 314 HH21 ARG 75 HH21 ARG 75 13.139 -11.074 -58.715 315 HH22 ARG 75 HH22 ARG 75 14.724 -10.524 -59.143 316 H LYS 76 H LYS 76 10.014 -7.077 -58.417 317 HA LYS 76 HA LYS 76 7.770 -5.519 -57.832 318 HB2 LYS 76 HB2 LYS 76 10.653 -4.613 -57.766 319 HB3 LYS 76 HB3 LYS 76 9.313 -3.925 -56.858 320 HG2 LYS 76 HG2 LYS 76 10.098 -6.794 -56.516 321 HG3 LYS 76 HG3 LYS 76 10.932 -5.502 -55.648 322 HD2 LYS 76 HD2 LYS 76 8.657 -4.744 -54.847 323 HD3 LYS 76 HD3 LYS 76 8.019 -6.254 -55.503 324 HE2 LYS 76 HE2 LYS 76 8.471 -6.479 -53.126 325 HE3 LYS 76 HE3 LYS 76 9.548 -7.516 -54.061 326 HZ1 LYS 76 HZ1 LYS 76 11.357 -6.305 -53.496 327 HZ2 LYS 76 HZ2 LYS 76 10.418 -5.953 -52.134 328 HZ3 LYS 76 HZ3 LYS 76 10.513 -4.841 -53.406 329 H ARG 77 H ARG 77 9.841 -5.516 -60.576 330 HA ARG 77 HA ARG 77 9.625 -2.890 -61.473 331 HB2 ARG 77 HB2 ARG 77 10.112 -5.525 -62.758 332 HB3 ARG 77 HB3 ARG 77 9.658 -4.193 -63.813 333 HG2 ARG 77 HG2 ARG 77 11.546 -2.928 -62.504 334 HG3 ARG 77 HG3 ARG 77 12.112 -4.567 -62.177 335 HD2 ARG 77 HD2 ARG 77 11.637 -4.759 -64.816 336 HD3 ARG 77 HD3 ARG 77 12.041 -3.047 -64.707 337 HE ARG 77 HE ARG 77 14.034 -4.253 -63.324 338 HH11 ARG 77 HH11 ARG 77 12.700 -4.702 -66.509 339 HH12 ARG 77 HH12 ARG 77 14.194 -5.242 -67.200 340 HH21 ARG 77 HH21 ARG 77 16.006 -4.963 -64.223 341 HH22 ARG 77 HH22 ARG 77 16.074 -5.391 -65.899 342 H THR 78 H THR 78 7.350 -5.549 -61.649 343 HA THR 78 HA THR 78 5.582 -4.656 -63.569 344 HB THR 78 HB THR 78 5.412 -6.840 -62.383 345 HG1 THR 78 HG1 THR 78 3.575 -6.543 -63.444 346 HG21 THR 78 HG21 THR 78 3.744 -5.688 -60.244 347 HG22 THR 78 HG22 THR 78 5.478 -5.405 -60.087 348 HG23 THR 78 HG23 THR 78 4.859 -7.053 -60.202 349 H LEU 79 H LEU 79 6.034 -3.523 -60.293 350 HA LEU 79 HA LEU 79 3.624 -1.999 -60.160 351 HB2 LEU 79 HB2 LEU 79 6.101 -2.239 -58.536 352 HB3 LEU 79 HB3 LEU 79 5.100 -0.806 -58.312 353 HG LEU 79 HG LEU 79 4.670 -2.627 -56.672 354 HD11 LEU 79 HD11 LEU 79 2.910 -0.938 -57.897 355 HD12 LEU 79 HD12 LEU 79 2.554 -1.930 -56.483 356 HD13 LEU 79 HD13 LEU 79 2.119 -2.503 -58.093 357 HD21 LEU 79 HD21 LEU 79 5.026 -4.487 -58.297 358 HD22 LEU 79 HD22 LEU 79 3.466 -4.089 -59.017 359 HD23 LEU 79 HD23 LEU 79 3.552 -4.632 -57.340 360 H ARG 80 H ARG 80 6.920 -1.356 -61.181 361 HA ARG 80 HA ARG 80 6.665 1.466 -61.356 362 HB2 ARG 80 HB2 ARG 80 8.611 -0.569 -62.332 363 HB3 ARG 80 HB3 ARG 80 8.640 1.021 -63.082 364 HG2 ARG 80 HG2 ARG 80 8.720 0.726 -60.105 365 HG3 ARG 80 HG3 ARG 80 10.183 0.569 -61.080 366 HD2 ARG 80 HD2 ARG 80 9.552 2.814 -62.099 367 HD3 ARG 80 HD3 ARG 80 8.377 2.955 -60.791 368 HE ARG 80 HE ARG 80 11.217 3.288 -60.605 369 HH11 ARG 80 HH11 ARG 80 8.341 2.396 -58.856 370 HH12 ARG 80 HH12 ARG 80 8.996 2.815 -57.308 371 HH21 ARG 80 HH21 ARG 80 12.090 3.842 -58.572 372 HH22 ARG 80 HH22 ARG 80 11.128 3.638 -57.147 373 H ARG 81 H ARG 81 6.226 -1.171 -63.671 374 HA ARG 81 HA ARG 81 5.705 0.558 -65.888 375 HB2 ARG 81 HB2 ARG 81 5.291 -2.394 -65.436 376 HB3 ARG 81 HB3 ARG 81 4.843 -1.596 -66.938 377 HG2 ARG 81 HG2 ARG 81 7.619 -1.575 -65.778 378 HG3 ARG 81 HG3 ARG 81 7.054 -2.720 -66.997 379 HD2 ARG 81 HD2 ARG 81 6.337 -0.463 -68.208 380 HD3 ARG 81 HD3 ARG 81 7.662 0.174 -67.234 381 HE ARG 81 HE ARG 81 8.646 -2.091 -68.451 382 HH11 ARG 81 HH11 ARG 81 7.290 0.947 -69.477 383 HH12 ARG 81 HH12 ARG 81 8.194 1.001 -70.954 384 HH21 ARG 81 HH21 ARG 81 9.843 -2.032 -70.392 385 HH22 ARG 81 HH22 ARG 81 9.645 -0.694 -71.473 386 H LEU 82 H LEU 82 3.673 -1.402 -63.733 387 HA LEU 82 HA LEU 82 1.209 -0.801 -64.931 388 HB2 LEU 82 HB2 LEU 82 1.957 -1.592 -62.129 389 HB3 LEU 82 HB3 LEU 82 0.283 -1.356 -62.630 390 HG LEU 82 HG LEU 82 2.095 -3.314 -64.015 391 HD11 LEU 82 HD11 LEU 82 0.646 -4.939 -62.515 392 HD12 LEU 82 HD12 LEU 82 0.682 -3.560 -61.416 393 HD13 LEU 82 HD13 LEU 82 2.191 -4.292 -61.961 394 HD21 LEU 82 HD21 LEU 82 -0.244 -2.393 -64.840 395 HD22 LEU 82 HD22 LEU 82 -0.847 -3.613 -63.717 396 HD23 LEU 82 HD23 LEU 82 0.213 -4.084 -65.047 397 H LEU 83 H LEU 83 3.090 0.881 -62.477 398 HA LEU 83 HA LEU 83 1.093 2.753 -61.750 399 HB2 LEU 83 HB2 LEU 83 4.050 2.571 -61.428 400 HB3 LEU 83 HB3 LEU 83 3.249 4.104 -61.095 401 HG LEU 83 HG LEU 83 2.400 1.550 -59.759 402 HD11 LEU 83 HD11 LEU 83 4.762 3.251 -59.225 403 HD12 LEU 83 HD12 LEU 83 4.504 1.534 -58.918 404 HD13 LEU 83 HD13 LEU 83 3.807 2.737 -57.834 405 HD21 LEU 83 HD21 LEU 83 1.486 4.242 -59.759 406 HD22 LEU 83 HD22 LEU 83 2.146 3.879 -58.164 407 HD23 LEU 83 HD23 LEU 83 0.870 2.867 -58.842 408 H GLN 84 H GLN 84 3.622 2.742 -64.203 409 HA GLN 84 HA GLN 84 3.561 5.396 -64.993 410 HB2 GLN 84 HB2 GLN 84 4.224 2.829 -66.347 411 HB3 GLN 84 HB3 GLN 84 4.021 4.255 -67.356 412 HG2 GLN 84 HG2 GLN 84 5.707 5.417 -65.953 413 HG3 GLN 84 HG3 GLN 84 5.971 3.901 -65.093 414 HE21 GLN 84 HE21 GLN 84 7.442 2.552 -65.864 415 HE22 GLN 84 HE22 GLN 84 8.170 2.641 -67.428 416 H GLU 85 H GLU 85 1.424 2.737 -65.901 417 HA GLU 85 HA GLU 85 -0.058 4.317 -67.790 418 HB2 GLU 85 HB2 GLU 85 -0.208 1.548 -66.721 419 HB3 GLU 85 HB3 GLU 85 -1.689 2.236 -67.371 420 HG2 GLU 85 HG2 GLU 85 -0.836 1.227 -69.230 421 HG3 GLU 85 HG3 GLU 85 -0.163 2.847 -69.402 422 H ARG 86 H ARG 86 -0.582 3.152 -64.485 423 HA ARG 86 HA ARG 86 -3.192 4.041 -64.122 424 HB2 ARG 86 HB2 ARG 86 -0.900 3.450 -62.320 425 HB3 ARG 86 HB3 ARG 86 -2.249 4.352 -61.641 426 HG2 ARG 86 HG2 ARG 86 -2.779 1.839 -63.155 427 HG3 ARG 86 HG3 ARG 86 -2.195 1.756 -61.492 428 HD2 ARG 86 HD2 ARG 86 -4.639 3.266 -62.411 429 HD3 ARG 86 HD3 ARG 86 -4.654 1.680 -61.640 430 HE ARG 86 HE ARG 86 -3.273 3.560 -60.033 431 HH11 ARG 86 HH11 ARG 86 -6.474 2.621 -61.030 432 HH12 ARG 86 HH12 ARG 86 -7.237 3.214 -59.592 433 HH21 ARG 86 HH21 ARG 86 -4.266 4.344 -58.135 434 HH22 ARG 86 HH22 ARG 86 -5.981 4.194 -57.947 435 H GLU 87 H GLU 87 -0.157 5.736 -63.330 436 HA GLU 87 HA GLU 87 -1.515 8.165 -62.649 437 HB2 GLU 87 HB2 GLU 87 1.402 7.538 -63.118 438 HB3 GLU 87 HB3 GLU 87 0.815 9.117 -62.613 439 HG2 GLU 87 HG2 GLU 87 0.401 6.563 -61.077 440 HG3 GLU 87 HG3 GLU 87 1.670 7.743 -60.753 441 H LEU 88 H LEU 88 -0.489 10.251 -63.751 442 HA LEU 88 HA LEU 88 -0.889 9.914 -66.650 443 HB2 LEU 88 HB2 LEU 88 -1.547 12.209 -64.820 444 HB3 LEU 88 HB3 LEU 88 -1.557 12.348 -66.577 445 HG LEU 88 HG LEU 88 -3.264 10.346 -65.121 446 HD11 LEU 88 HD11 LEU 88 -3.783 12.587 -64.267 447 HD12 LEU 88 HD12 LEU 88 -5.098 11.926 -65.238 448 HD13 LEU 88 HD13 LEU 88 -4.028 13.151 -65.920 449 HD21 LEU 88 HD21 LEU 88 -2.664 10.593 -67.762 450 HD22 LEU 88 HD22 LEU 88 -4.129 11.567 -67.643 451 HD23 LEU 88 HD23 LEU 88 -4.148 9.879 -67.130 452 H VAL 89 H VAL 89 0.602 12.285 -64.435 453 HA VAL 89 HA VAL 89 3.056 12.154 -66.034 454 HB VAL 89 HB VAL 89 1.702 14.743 -65.262 455 HG11 VAL 89 HG11 VAL 89 4.379 14.101 -66.436 456 HG12 VAL 89 HG12 VAL 89 3.584 15.633 -66.802 457 HG13 VAL 89 HG13 VAL 89 3.968 15.215 -65.132 458 HG21 VAL 89 HG21 VAL 89 1.585 15.077 -67.736 459 HG22 VAL 89 HG22 VAL 89 2.077 13.395 -67.932 460 HG23 VAL 89 HG23 VAL 89 0.556 13.780 -67.128 461 H GLU 90 H GLU 90 4.473 11.425 -64.576 462 HA GLU 90 HA GLU 90 4.315 12.251 -61.800 463 HB2 GLU 90 HB2 GLU 90 4.887 9.888 -62.664 464 HB3 GLU 90 HB3 GLU 90 6.485 10.545 -62.993 465 HG2 GLU 90 HG2 GLU 90 6.633 9.518 -60.891 466 HG3 GLU 90 HG3 GLU 90 6.558 11.250 -60.572 467 H GLY 91 H GLY 91 5.987 13.305 -60.663 468 HA2 GLY 91 HA2 GLY 91 8.406 14.150 -61.155 469 HA3 GLY 91 HA3 GLY 91 7.561 15.102 -62.366 470 H GLY 92 H GLY 92 8.046 14.588 -58.934 471 HA2 GLY 92 HA2 GLY 92 6.680 17.154 -58.413 472 HA3 GLY 92 HA3 GLY 92 6.841 15.860 -57.235 Start of MODEL 5 1 H1 GLY 39 H GLY 39 6.869 2.095 -12.948 2 HA2 GLY 39 HA2 GLY 39 6.026 -0.483 -13.756 3 HA3 GLY 39 HA3 GLY 39 7.038 -0.616 -12.326 4 H SER 40 H SER 40 3.957 -0.613 -13.224 5 HA SER 40 HA SER 40 3.045 0.821 -10.816 6 HB2 SER 40 HB2 SER 40 2.070 1.938 -12.655 7 HB3 SER 40 HB3 SER 40 1.725 0.428 -13.498 8 HG SER 40 HG SER 40 -0.108 0.347 -12.492 9 H CYS 41 H CYS 41 1.523 -0.161 -9.484 10 HA CYS 41 HA CYS 41 1.584 -3.042 -9.503 11 HB2 CYS 41 HB2 CYS 41 0.210 -1.106 -7.628 12 HB3 CYS 41 HB3 CYS 41 0.335 -2.843 -7.375 13 HG CYS 41 HG CYS 41 3.119 -2.836 -7.128 14 H LYS 42 H LYS 42 -0.667 -0.525 -10.338 15 HA LYS 42 HA LYS 42 -2.581 -2.584 -11.194 16 HB2 LYS 42 HB2 LYS 42 -3.098 -0.144 -9.534 17 HB3 LYS 42 HB3 LYS 42 -4.352 -0.745 -10.611 18 HG2 LYS 42 HG2 LYS 42 -4.937 -1.886 -8.752 19 HG3 LYS 42 HG3 LYS 42 -3.750 -3.029 -9.386 20 HD2 LYS 42 HD2 LYS 42 -3.016 -2.847 -7.225 21 HD3 LYS 42 HD3 LYS 42 -2.082 -1.551 -7.975 22 HE2 LYS 42 HE2 LYS 42 -3.827 0.056 -7.277 23 HE3 LYS 42 HE3 LYS 42 -4.672 -1.256 -6.457 24 HZ1 LYS 42 HZ1 LYS 42 -3.415 -0.881 -4.693 25 HZ2 LYS 42 HZ2 LYS 42 -2.546 0.319 -5.509 26 HZ3 LYS 42 HZ3 LYS 42 -2.032 -1.291 -5.578 27 H ILE 43 H ILE 43 -2.579 -2.488 -13.342 28 HA ILE 43 HA ILE 43 -1.700 -0.411 -14.938 29 HB ILE 43 HB ILE 43 -3.825 -2.436 -15.651 30 HG12 ILE 43 HG12 ILE 43 -1.819 -3.545 -14.853 31 HG13 ILE 43 HG13 ILE 43 -1.923 -3.722 -16.602 32 HG21 ILE 43 HG21 ILE 43 -1.960 -0.901 -17.454 33 HG22 ILE 43 HG22 ILE 43 -3.215 -2.037 -17.946 34 HG23 ILE 43 HG23 ILE 43 -3.658 -0.505 -17.193 35 HD11 ILE 43 HD11 ILE 43 -0.442 -1.390 -16.145 36 HD12 ILE 43 HD12 ILE 43 0.169 -2.599 -15.015 37 HD13 ILE 43 HD13 ILE 43 0.137 -2.944 -16.744 38 HA PRO 44 HA PRO 44 -4.867 2.651 -14.573 39 HB2 PRO 44 HB2 PRO 44 -4.139 4.171 -16.701 40 HB3 PRO 44 HB3 PRO 44 -3.246 4.163 -15.176 41 HG2 PRO 44 HG2 PRO 44 -2.652 2.710 -17.724 42 HG3 PRO 44 HG3 PRO 44 -1.543 3.574 -16.645 43 HD2 PRO 44 HD2 PRO 44 -1.792 0.878 -16.622 44 HD3 PRO 44 HD3 PRO 44 -1.414 1.814 -15.162 45 H SER 45 H SER 45 -6.158 3.968 -16.480 46 HA SER 45 HA SER 45 -7.487 1.854 -18.042 47 HB2 SER 45 HB2 SER 45 -9.540 2.965 -17.764 48 HB3 SER 45 HB3 SER 45 -8.761 3.132 -16.191 49 HG SER 45 HG SER 45 -9.686 5.058 -17.655 50 H ILE 46 H ILE 46 -6.192 5.116 -18.128 51 HA ILE 46 HA ILE 46 -7.002 5.736 -20.773 52 HB ILE 46 HB ILE 46 -4.689 6.853 -19.184 53 HG12 ILE 46 HG12 ILE 46 -7.433 8.046 -19.594 54 HG13 ILE 46 HG13 ILE 46 -7.014 7.067 -18.192 55 HG21 ILE 46 HG21 ILE 46 -5.036 8.826 -20.734 56 HG22 ILE 46 HG22 ILE 46 -4.301 7.391 -21.447 57 HG23 ILE 46 HG23 ILE 46 -6.005 7.745 -21.735 58 HD11 ILE 46 HD11 ILE 46 -6.589 9.094 -17.308 59 HD12 ILE 46 HD12 ILE 46 -5.025 8.845 -18.085 60 HD13 ILE 46 HD13 ILE 46 -6.256 9.832 -18.875 61 H ALA 47 H ALA 47 -4.662 3.616 -19.565 62 HA ALA 47 HA ALA 47 -3.038 3.736 -22.002 63 HB1 ALA 47 HB1 ALA 47 -1.382 2.515 -20.859 64 HB2 ALA 47 HB2 ALA 47 -1.996 3.684 -19.688 65 HB3 ALA 47 HB3 ALA 47 -2.512 1.999 -19.606 66 H THR 48 H THR 48 -5.624 2.022 -20.657 67 HA THR 48 HA THR 48 -5.166 -0.576 -21.635 68 HB THR 48 HB THR 48 -7.564 -0.942 -21.388 69 HG1 THR 48 HG1 THR 48 -8.973 0.710 -21.188 70 HG21 THR 48 HG21 THR 48 -6.314 -1.027 -19.347 71 HG22 THR 48 HG22 THR 48 -7.822 -0.173 -19.015 72 HG23 THR 48 HG23 THR 48 -6.320 0.731 -19.208 73 H GLY 49 H GLY 49 -7.167 2.044 -23.013 74 HA2 GLY 49 HA2 GLY 49 -7.967 0.850 -25.348 75 HA3 GLY 49 HA3 GLY 49 -7.627 2.568 -25.206 76 H MET 50 H MET 50 -4.884 2.513 -24.773 77 HA MET 50 HA MET 50 -3.905 2.323 -27.397 78 HB2 MET 50 HB2 MET 50 -2.260 2.307 -24.863 79 HB3 MET 50 HB3 MET 50 -1.734 2.814 -26.462 80 HG2 MET 50 HG2 MET 50 -3.728 4.180 -24.676 81 HG3 MET 50 HG3 MET 50 -2.132 4.758 -25.147 82 HE1 MET 50 HE1 MET 50 -1.646 4.299 -27.791 83 HE2 MET 50 HE2 MET 50 -3.015 3.592 -28.648 84 HE3 MET 50 HE3 MET 50 -2.552 5.267 -28.954 85 H VAL 51 H VAL 51 -3.426 0.193 -24.590 86 HA VAL 51 HA VAL 51 -1.698 -1.651 -25.723 87 HB VAL 51 HB VAL 51 -3.921 -2.297 -23.782 88 HG11 VAL 51 HG11 VAL 51 -2.598 -4.157 -23.110 89 HG12 VAL 51 HG12 VAL 51 -2.713 -4.211 -24.871 90 HG13 VAL 51 HG13 VAL 51 -1.238 -3.627 -24.099 91 HG21 VAL 51 HG21 VAL 51 -1.396 -1.964 -22.513 92 HG22 VAL 51 HG22 VAL 51 -1.726 -0.528 -23.482 93 HG23 VAL 51 HG23 VAL 51 -2.885 -1.053 -22.260 94 H GLY 52 H GLY 52 -5.253 -1.954 -25.495 95 HA2 GLY 52 HA2 GLY 52 -5.581 -4.267 -26.956 96 HA3 GLY 52 HA3 GLY 52 -6.762 -2.967 -26.903 97 H ALA 53 H ALA 53 -5.351 -0.953 -28.203 98 HA ALA 53 HA ALA 53 -5.774 -1.687 -30.918 99 HB1 ALA 53 HB1 ALA 53 -4.930 0.599 -31.412 100 HB2 ALA 53 HB2 ALA 53 -6.233 0.563 -30.223 101 HB3 ALA 53 HB3 ALA 53 -4.565 0.789 -29.697 102 H LEU 54 H LEU 54 -2.925 -1.319 -28.893 103 HA LEU 54 HA LEU 54 -0.957 -1.328 -30.877 104 HB2 LEU 54 HB2 LEU 54 -1.061 -2.012 -27.993 105 HB3 LEU 54 HB3 LEU 54 0.338 -2.571 -28.909 106 HG LEU 54 HG LEU 54 -0.518 0.315 -28.829 107 HD11 LEU 54 HD11 LEU 54 0.458 0.633 -26.855 108 HD12 LEU 54 HD12 LEU 54 1.844 -0.366 -27.289 109 HD13 LEU 54 HD13 LEU 54 0.383 -1.116 -26.647 110 HD21 LEU 54 HD21 LEU 54 2.015 0.489 -29.348 111 HD22 LEU 54 HD22 LEU 54 0.898 0.050 -30.641 112 HD23 LEU 54 HD23 LEU 54 1.857 -1.197 -29.841 113 H LEU 55 H LEU 55 -2.371 -4.048 -29.072 114 HA LEU 55 HA LEU 55 -0.888 -6.047 -30.429 115 HB2 LEU 55 HB2 LEU 55 -3.569 -6.544 -29.198 116 HB3 LEU 55 HB3 LEU 55 -2.163 -7.604 -29.261 117 HG LEU 55 HG LEU 55 -2.657 -5.263 -27.442 118 HD11 LEU 55 HD11 LEU 55 -2.520 -8.198 -27.200 119 HD12 LEU 55 HD12 LEU 55 -3.458 -7.022 -26.280 120 HD13 LEU 55 HD13 LEU 55 -1.752 -7.272 -25.910 121 HD21 LEU 55 HD21 LEU 55 -0.481 -4.778 -27.610 122 HD22 LEU 55 HD22 LEU 55 -0.121 -6.272 -28.477 123 HD23 LEU 55 HD23 LEU 55 -0.217 -6.275 -26.715 124 H LEU 56 H LEU 56 -4.218 -4.862 -30.805 125 HA LEU 56 HA LEU 56 -5.099 -6.543 -32.801 126 HB2 LEU 56 HB2 LEU 56 -6.207 -4.508 -31.529 127 HB3 LEU 56 HB3 LEU 56 -5.769 -3.652 -33.006 128 HG LEU 56 HG LEU 56 -7.032 -5.670 -34.145 129 HD11 LEU 56 HD11 LEU 56 -8.292 -5.532 -31.410 130 HD12 LEU 56 HD12 LEU 56 -7.431 -6.910 -32.096 131 HD13 LEU 56 HD13 LEU 56 -8.957 -6.380 -32.806 132 HD21 LEU 56 HD21 LEU 56 -7.843 -3.052 -33.147 133 HD22 LEU 56 HD22 LEU 56 -9.196 -4.154 -33.402 134 HD23 LEU 56 HD23 LEU 56 -8.092 -3.791 -34.729 135 H LEU 57 H LEU 57 -3.651 -3.320 -33.317 136 HA LEU 57 HA LEU 57 -3.463 -3.447 -36.083 137 HB2 LEU 57 HB2 LEU 57 -1.677 -2.049 -34.100 138 HB3 LEU 57 HB3 LEU 57 -1.630 -1.776 -35.840 139 HG LEU 57 HG LEU 57 -3.915 -1.143 -33.975 140 HD11 LEU 57 HD11 LEU 57 -3.146 0.947 -33.890 141 HD12 LEU 57 HD12 LEU 57 -2.791 0.979 -35.616 142 HD13 LEU 57 HD13 LEU 57 -1.623 0.289 -34.489 143 HD21 LEU 57 HD21 LEU 57 -5.246 -1.282 -35.747 144 HD22 LEU 57 HD22 LEU 57 -3.884 -1.635 -36.810 145 HD23 LEU 57 HD23 LEU 57 -4.330 0.038 -36.473 146 H LEU 58 H LEU 58 -1.128 -4.487 -33.627 147 HA LEU 58 HA LEU 58 0.989 -5.176 -35.278 148 HB2 LEU 58 HB2 LEU 58 0.037 -6.050 -32.610 149 HB3 LEU 58 HB3 LEU 58 1.247 -7.054 -33.406 150 HG LEU 58 HG LEU 58 1.590 -4.112 -32.840 151 HD11 LEU 58 HD11 LEU 58 2.374 -6.546 -31.270 152 HD12 LEU 58 HD12 LEU 58 1.520 -5.105 -30.720 153 HD13 LEU 58 HD13 LEU 58 3.236 -5.015 -31.117 154 HD21 LEU 58 HD21 LEU 58 3.383 -4.259 -34.133 155 HD22 LEU 58 HD22 LEU 58 2.995 -5.940 -34.496 156 HD23 LEU 58 HD23 LEU 58 4.020 -5.550 -33.114 157 H VAL 59 H VAL 59 -1.700 -7.235 -34.181 158 HA VAL 59 HA VAL 59 -0.913 -9.519 -35.651 159 HB VAL 59 HB VAL 59 -3.726 -8.836 -34.799 160 HG11 VAL 59 HG11 VAL 59 -3.564 -10.738 -36.301 161 HG12 VAL 59 HG12 VAL 59 -2.335 -11.471 -35.268 162 HG13 VAL 59 HG13 VAL 59 -3.984 -11.275 -34.675 163 HG21 VAL 59 HG21 VAL 59 -2.576 -10.564 -32.926 164 HG22 VAL 59 HG22 VAL 59 -1.382 -9.293 -33.191 165 HG23 VAL 59 HG23 VAL 59 -3.020 -8.873 -32.690 166 H VAL 60 H VAL 60 -3.310 -6.979 -36.317 167 HA VAL 60 HA VAL 60 -4.315 -7.943 -38.714 168 HB VAL 60 HB VAL 60 -3.861 -5.058 -37.941 169 HG11 VAL 60 HG11 VAL 60 -4.262 -5.056 -40.257 170 HG12 VAL 60 HG12 VAL 60 -5.477 -6.330 -40.133 171 HG13 VAL 60 HG13 VAL 60 -5.827 -4.712 -39.521 172 HG21 VAL 60 HG21 VAL 60 -6.579 -5.964 -37.783 173 HG22 VAL 60 HG22 VAL 60 -5.539 -7.004 -36.810 174 HG23 VAL 60 HG23 VAL 60 -5.561 -5.264 -36.524 175 H ALA 61 H ALA 61 -1.695 -5.553 -38.313 176 HA ALA 61 HA ALA 61 -0.984 -5.443 -41.027 177 HB1 ALA 61 HB1 ALA 61 -0.167 -3.664 -39.819 178 HB2 ALA 61 HB2 ALA 61 0.372 -4.679 -38.481 179 HB3 ALA 61 HB3 ALA 61 1.281 -4.656 -39.991 180 H LEU 62 H LEU 62 -0.003 -7.592 -38.434 181 HA LEU 62 HA LEU 62 2.229 -8.750 -39.712 182 HB2 LEU 62 HB2 LEU 62 0.460 -9.462 -37.441 183 HB3 LEU 62 HB3 LEU 62 1.435 -10.752 -38.143 184 HG LEU 62 HG LEU 62 2.549 -8.168 -37.054 185 HD11 LEU 62 HD11 LEU 62 3.415 -9.806 -35.264 186 HD12 LEU 62 HD12 LEU 62 2.092 -10.845 -35.794 187 HD13 LEU 62 HD13 LEU 62 1.749 -9.237 -35.156 188 HD21 LEU 62 HD21 LEU 62 3.725 -10.615 -38.289 189 HD22 LEU 62 HD22 LEU 62 4.626 -9.760 -37.036 190 HD23 LEU 62 HD23 LEU 62 4.156 -8.920 -38.515 191 H GLY 63 H GLY 63 -1.053 -10.102 -39.285 192 HA2 GLY 63 HA2 GLY 63 -0.784 -12.317 -40.916 193 HA3 GLY 63 HA3 GLY 63 -2.300 -11.471 -40.643 194 H ILE 64 H ILE 64 -1.886 -9.070 -41.867 195 HA ILE 64 HA ILE 64 -2.287 -9.721 -44.590 196 HB ILE 64 HB ILE 64 -1.723 -7.018 -43.363 197 HG12 ILE 64 HG12 ILE 64 -4.380 -8.277 -44.070 198 HG13 ILE 64 HG13 ILE 64 -3.708 -8.250 -42.444 199 HG21 ILE 64 HG21 ILE 64 -3.320 -6.649 -45.573 200 HG22 ILE 64 HG22 ILE 64 -1.584 -6.355 -45.489 201 HG23 ILE 64 HG23 ILE 64 -2.188 -7.896 -46.098 202 HD11 ILE 64 HD11 ILE 64 -3.726 -5.794 -42.508 203 HD12 ILE 64 HD12 ILE 64 -4.473 -5.862 -44.104 204 HD13 ILE 64 HD13 ILE 64 -5.332 -6.494 -42.700 205 H GLY 65 H GLY 65 0.455 -8.327 -42.831 206 HA2 GLY 65 HA2 GLY 65 2.065 -7.747 -45.064 207 HA3 GLY 65 HA3 GLY 65 2.649 -8.022 -43.430 208 H LEU 66 H LEU 66 2.037 -10.617 -42.957 209 HA LEU 66 HA LEU 66 4.074 -11.991 -44.336 210 HB2 LEU 66 HB2 LEU 66 1.817 -13.056 -42.646 211 HB3 LEU 66 HB3 LEU 66 3.209 -13.997 -43.177 212 HG LEU 66 HG LEU 66 3.602 -11.518 -41.546 213 HD11 LEU 66 HD11 LEU 66 2.926 -14.257 -40.483 214 HD12 LEU 66 HD12 LEU 66 1.967 -12.788 -40.299 215 HD13 LEU 66 HD13 LEU 66 3.544 -12.915 -39.520 216 HD21 LEU 66 HD21 LEU 66 5.545 -12.937 -40.750 217 HD22 LEU 66 HD22 LEU 66 5.603 -12.400 -42.429 218 HD23 LEU 66 HD23 LEU 66 5.133 -14.057 -42.048 219 H PHE 67 H PHE 67 0.631 -11.726 -44.850 220 HA PHE 67 HA PHE 67 0.444 -13.914 -46.684 221 HB2 PHE 67 HB2 PHE 67 -1.432 -12.758 -45.286 222 HB3 PHE 67 HB3 PHE 67 -1.500 -11.629 -46.635 223 HD1 PHE 67 HD2 PHE 67 -1.725 -15.237 -45.797 224 HD2 PHE 67 HD1 PHE 67 -2.719 -12.144 -48.547 225 HE1 PHE 67 HE2 PHE 67 -3.179 -16.798 -47.023 226 HE2 PHE 67 HE1 PHE 67 -4.175 -13.700 -49.777 227 HZ PHE 67 HZ PHE 67 -4.405 -16.031 -49.016 228 H MET 68 H MET 68 0.619 -10.384 -47.028 229 HA MET 68 HA MET 68 0.561 -10.433 -49.877 230 HB2 MET 68 HB2 MET 68 1.556 -8.248 -48.039 231 HB3 MET 68 HB3 MET 68 1.131 -8.065 -49.736 232 HG2 MET 68 HG2 MET 68 -0.922 -9.118 -47.863 233 HG3 MET 68 HG3 MET 68 -0.534 -7.400 -47.819 234 HE1 MET 68 HE1 MET 68 -3.942 -8.057 -49.461 235 HE2 MET 68 HE2 MET 68 -3.309 -9.663 -49.820 236 HE3 MET 68 HE3 MET 68 -3.052 -8.950 -48.227 237 H ARG 69 H ARG 69 2.949 -11.184 -47.620 238 HA ARG 69 HA ARG 69 5.229 -10.316 -49.130 239 HB2 ARG 69 HB2 ARG 69 4.767 -11.883 -46.645 240 HB3 ARG 69 HB3 ARG 69 6.297 -12.126 -47.478 241 HG2 ARG 69 HG2 ARG 69 6.870 -9.824 -47.260 242 HG3 ARG 69 HG3 ARG 69 5.259 -9.425 -46.661 243 HD2 ARG 69 HD2 ARG 69 6.467 -9.515 -44.702 244 HD3 ARG 69 HD3 ARG 69 5.829 -11.156 -44.797 245 HE ARG 69 HE ARG 69 8.213 -11.377 -46.032 246 HH11 ARG 69 HH11 ARG 69 7.253 -10.013 -42.976 247 HH12 ARG 69 HH12 ARG 69 8.760 -10.365 -42.198 248 HH21 ARG 69 HH21 ARG 69 10.201 -11.846 -45.019 249 HH22 ARG 69 HH22 ARG 69 10.437 -11.407 -43.361 250 H ARG 70 H ARG 70 3.026 -12.772 -49.557 251 HA ARG 70 HA ARG 70 4.872 -14.749 -50.589 252 HB2 ARG 70 HB2 ARG 70 1.866 -14.723 -50.861 253 HB3 ARG 70 HB3 ARG 70 2.943 -16.106 -51.000 254 HG2 ARG 70 HG2 ARG 70 3.512 -15.862 -48.611 255 HG3 ARG 70 HG3 ARG 70 2.344 -14.544 -48.498 256 HD2 ARG 70 HD2 ARG 70 0.554 -16.065 -49.159 257 HD3 ARG 70 HD3 ARG 70 1.718 -17.382 -49.306 258 HE ARG 70 HE ARG 70 0.525 -16.403 -46.903 259 HH11 ARG 70 HH11 ARG 70 3.383 -17.890 -48.223 260 HH12 ARG 70 HH12 ARG 70 3.843 -18.636 -46.729 261 HH21 ARG 70 HH21 ARG 70 1.121 -17.381 -44.930 262 HH22 ARG 70 HH22 ARG 70 2.555 -18.347 -44.857 263 H ARG 71 H ARG 71 2.545 -12.413 -51.859 264 HA ARG 71 HA ARG 71 3.161 -13.155 -54.600 265 HB2 ARG 71 HB2 ARG 71 1.150 -11.423 -53.258 266 HB3 ARG 71 HB3 ARG 71 1.598 -11.009 -54.908 267 HG2 ARG 71 HG2 ARG 71 1.169 -13.661 -55.170 268 HG3 ARG 71 HG3 ARG 71 0.027 -13.269 -53.883 269 HD2 ARG 71 HD2 ARG 71 -1.185 -12.984 -55.871 270 HD3 ARG 71 HD3 ARG 71 -0.741 -11.351 -55.373 271 HE ARG 71 HE ARG 71 1.262 -12.015 -57.043 272 HH11 ARG 71 HH11 ARG 71 -2.203 -12.192 -57.337 273 HH12 ARG 71 HH12 ARG 71 -2.200 -11.959 -59.054 274 HH21 ARG 71 HH21 ARG 71 1.279 -11.707 -59.303 275 HH22 ARG 71 HH22 ARG 71 -0.218 -11.683 -60.171 276 H HIS 72 H HIS 72 3.897 -10.635 -52.296 277 HA HIS 72 HA HIS 72 4.919 -8.710 -54.075 278 HB2 HIS 72 HB2 HIS 72 5.150 -9.250 -51.160 279 HB3 HIS 72 HB3 HIS 72 6.356 -8.186 -51.878 280 HD1 HIS 72 HD1 HIS 72 4.065 -7.340 -49.827 281 HD2 HIS 72 HD2 HIS 72 4.051 -6.741 -53.938 282 HE1 HIS 72 HE1 HIS 72 2.502 -5.409 -50.219 283 H ILE 73 H ILE 73 6.110 -11.755 -53.168 284 HA ILE 73 HA ILE 73 8.849 -11.490 -53.137 285 HB ILE 73 HB ILE 73 7.251 -13.704 -54.427 286 HG12 ILE 73 HG12 ILE 73 6.681 -13.403 -52.081 287 HG13 ILE 73 HG13 ILE 73 7.637 -14.868 -52.273 288 HG21 ILE 73 HG21 ILE 73 9.285 -15.071 -54.029 289 HG22 ILE 73 HG22 ILE 73 9.515 -13.794 -55.221 290 HG23 ILE 73 HG23 ILE 73 10.143 -13.596 -53.585 291 HD11 ILE 73 HD11 ILE 73 9.624 -13.642 -51.515 292 HD12 ILE 73 HD12 ILE 73 8.623 -12.211 -51.268 293 HD13 ILE 73 HD13 ILE 73 8.337 -13.663 -50.309 294 H VAL 74 H VAL 74 6.667 -11.232 -55.839 295 HA VAL 74 HA VAL 74 8.549 -11.551 -57.924 296 HB VAL 74 HB VAL 74 6.079 -9.829 -58.073 297 HG11 VAL 74 HG11 VAL 74 7.860 -11.196 -60.033 298 HG12 VAL 74 HG12 VAL 74 6.151 -10.993 -60.423 299 HG13 VAL 74 HG13 VAL 74 7.154 -9.581 -60.087 300 HG21 VAL 74 HG21 VAL 74 5.412 -12.345 -59.033 301 HG22 VAL 74 HG22 VAL 74 6.291 -12.668 -57.538 302 HG23 VAL 74 HG23 VAL 74 4.873 -11.620 -57.518 303 H ARG 75 H ARG 75 9.407 -9.904 -59.334 304 HA ARG 75 HA ARG 75 10.887 -7.951 -58.086 305 HB2 ARG 75 HB2 ARG 75 9.882 -7.938 -60.938 306 HB3 ARG 75 HB3 ARG 75 11.205 -6.956 -60.323 307 HG2 ARG 75 HG2 ARG 75 12.579 -8.843 -59.984 308 HG3 ARG 75 HG3 ARG 75 11.227 -9.956 -60.204 309 HD2 ARG 75 HD2 ARG 75 12.414 -8.164 -62.321 310 HD3 ARG 75 HD3 ARG 75 12.671 -9.902 -62.175 311 HE ARG 75 HE ARG 75 9.908 -9.338 -62.342 312 HH11 ARG 75 HH11 ARG 75 12.799 -9.412 -64.281 313 HH12 ARG 75 HH12 ARG 75 11.956 -9.740 -65.758 314 HH21 ARG 75 HH21 ARG 75 8.787 -9.769 -64.281 315 HH22 ARG 75 HH22 ARG 75 9.674 -9.942 -65.758 316 H LYS 76 H LYS 76 10.046 -6.430 -56.799 317 HA LYS 76 HA LYS 76 7.515 -5.249 -57.085 318 HB2 LYS 76 HB2 LYS 76 9.984 -4.340 -55.603 319 HB3 LYS 76 HB3 LYS 76 8.435 -3.514 -55.492 320 HG2 LYS 76 HG2 LYS 76 8.323 -4.859 -53.654 321 HG3 LYS 76 HG3 LYS 76 7.562 -5.904 -54.856 322 HD2 LYS 76 HD2 LYS 76 9.491 -7.224 -55.090 323 HD3 LYS 76 HD3 LYS 76 10.512 -6.020 -54.300 324 HE2 LYS 76 HE2 LYS 76 8.256 -7.182 -52.751 325 HE3 LYS 76 HE3 LYS 76 9.671 -8.193 -53.038 326 HZ1 LYS 76 HZ1 LYS 76 10.036 -5.460 -52.022 327 HZ2 LYS 76 HZ2 LYS 76 11.014 -6.822 -51.806 328 HZ3 LYS 76 HZ3 LYS 76 9.560 -6.681 -50.952 329 H ARG 77 H ARG 77 10.457 -4.666 -58.718 330 HA ARG 77 HA ARG 77 10.337 -1.961 -59.318 331 HB2 ARG 77 HB2 ARG 77 11.491 -4.357 -60.643 332 HB3 ARG 77 HB3 ARG 77 11.340 -2.900 -61.616 333 HG2 ARG 77 HG2 ARG 77 12.661 -2.870 -58.925 334 HG3 ARG 77 HG3 ARG 77 13.541 -3.288 -60.396 335 HD2 ARG 77 HD2 ARG 77 12.723 -1.103 -61.359 336 HD3 ARG 77 HD3 ARG 77 12.157 -0.697 -59.739 337 HE ARG 77 HE ARG 77 14.810 -1.410 -59.471 338 HH11 ARG 77 HH11 ARG 77 12.981 1.015 -61.173 339 HH12 ARG 77 HH12 ARG 77 14.253 2.190 -61.131 340 HH21 ARG 77 HH21 ARG 77 16.493 0.129 -59.410 341 HH22 ARG 77 HH22 ARG 77 16.251 1.685 -60.130 342 H THR 78 H THR 78 8.531 -4.645 -60.664 343 HA THR 78 HA THR 78 7.518 -3.543 -62.981 344 HB THR 78 HB THR 78 7.089 -5.864 -62.356 345 HG1 THR 78 HG1 THR 78 5.623 -5.165 -63.834 346 HG21 THR 78 HG21 THR 78 4.846 -5.216 -60.560 347 HG22 THR 78 HG22 THR 78 6.453 -4.932 -59.892 348 HG23 THR 78 HG23 THR 78 6.015 -6.533 -60.485 349 H LEU 79 H LEU 79 6.512 -3.001 -59.654 350 HA LEU 79 HA LEU 79 4.122 -1.613 -60.202 351 HB2 LEU 79 HB2 LEU 79 5.984 -1.757 -57.872 352 HB3 LEU 79 HB3 LEU 79 4.692 -0.558 -57.881 353 HG LEU 79 HG LEU 79 3.065 -2.439 -58.176 354 HD11 LEU 79 HD11 LEU 79 4.332 -4.621 -57.178 355 HD12 LEU 79 HD12 LEU 79 5.579 -3.947 -58.228 356 HD13 LEU 79 HD13 LEU 79 3.994 -4.351 -58.888 357 HD21 LEU 79 HD21 LEU 79 4.804 -2.190 -55.747 358 HD22 LEU 79 HD22 LEU 79 3.433 -3.299 -55.782 359 HD23 LEU 79 HD23 LEU 79 3.175 -1.570 -56.016 360 H ARG 80 H ARG 80 7.472 -0.560 -59.920 361 HA ARG 80 HA ARG 80 6.917 2.227 -60.001 362 HB2 ARG 80 HB2 ARG 80 9.378 0.559 -60.410 363 HB3 ARG 80 HB3 ARG 80 9.406 2.282 -60.760 364 HG2 ARG 80 HG2 ARG 80 10.099 2.354 -58.608 365 HG3 ARG 80 HG3 ARG 80 8.358 2.403 -58.325 366 HD2 ARG 80 HD2 ARG 80 8.347 -0.019 -57.987 367 HD3 ARG 80 HD3 ARG 80 10.085 -0.070 -58.278 368 HE ARG 80 HE ARG 80 9.295 1.689 -56.139 369 HH11 ARG 80 HH11 ARG 80 10.185 -1.560 -57.017 370 HH12 ARG 80 HH12 ARG 80 10.707 -1.987 -55.422 371 HH21 ARG 80 HH21 ARG 80 9.980 1.138 -54.034 372 HH22 ARG 80 HH22 ARG 80 10.590 -0.452 -53.725 373 H ARG 81 H ARG 81 7.600 -0.211 -62.447 374 HA ARG 81 HA ARG 81 7.821 1.653 -64.605 375 HB2 ARG 81 HB2 ARG 81 7.729 -1.309 -64.327 376 HB3 ARG 81 HB3 ARG 81 7.318 -0.629 -65.895 377 HG2 ARG 81 HG2 ARG 81 9.863 0.005 -64.423 378 HG3 ARG 81 HG3 ARG 81 9.711 -1.288 -65.615 379 HD2 ARG 81 HD2 ARG 81 9.096 1.614 -66.154 380 HD3 ARG 81 HD3 ARG 81 10.632 0.835 -66.532 381 HE ARG 81 HE ARG 81 8.496 -0.605 -67.693 382 HH11 ARG 81 HH11 ARG 81 10.308 2.347 -68.041 383 HH12 ARG 81 HH12 ARG 81 10.041 2.463 -69.749 384 HH21 ARG 81 HH21 ARG 81 8.138 -0.464 -69.941 385 HH22 ARG 81 HH22 ARG 81 8.806 0.864 -70.829 386 H LEU 82 H LEU 82 5.235 -0.284 -63.219 387 HA LEU 82 HA LEU 82 3.348 0.201 -65.293 388 HB2 LEU 82 HB2 LEU 82 2.998 -0.645 -62.424 389 HB3 LEU 82 HB3 LEU 82 1.685 -0.569 -63.596 390 HG LEU 82 HG LEU 82 4.080 -2.253 -64.188 391 HD11 LEU 82 HD11 LEU 82 2.283 -4.007 -63.084 392 HD12 LEU 82 HD12 LEU 82 2.233 -2.643 -61.968 393 HD13 LEU 82 HD13 LEU 82 3.767 -3.436 -62.322 394 HD21 LEU 82 HD21 LEU 82 1.922 -3.616 -65.013 395 HD22 LEU 82 HD22 LEU 82 2.736 -2.401 -65.999 396 HD23 LEU 82 HD23 LEU 82 1.283 -1.974 -65.094 397 H LEU 83 H LEU 83 4.090 1.775 -62.224 398 HA LEU 83 HA LEU 83 1.903 3.523 -62.124 399 HB2 LEU 83 HB2 LEU 83 4.621 3.455 -60.935 400 HB3 LEU 83 HB3 LEU 83 3.748 4.985 -60.887 401 HG LEU 83 HG LEU 83 2.660 2.402 -59.779 402 HD11 LEU 83 HD11 LEU 83 3.988 2.638 -58.023 403 HD12 LEU 83 HD12 LEU 83 3.297 4.233 -57.728 404 HD13 LEU 83 HD13 LEU 83 4.729 4.068 -58.744 405 HD21 LEU 83 HD21 LEU 83 0.889 3.890 -60.234 406 HD22 LEU 83 HD22 LEU 83 1.801 5.281 -59.648 407 HD23 LEU 83 HD23 LEU 83 1.223 4.062 -58.511 408 H GLN 84 H GLN 84 5.060 3.831 -63.681 409 HA GLN 84 HA GLN 84 4.975 6.495 -64.428 410 HB2 GLN 84 HB2 GLN 84 6.254 4.061 -65.601 411 HB3 GLN 84 HB3 GLN 84 6.293 5.565 -66.511 412 HG2 GLN 84 HG2 GLN 84 7.616 6.633 -64.946 413 HG3 GLN 84 HG3 GLN 84 7.169 5.516 -63.657 414 HE21 GLN 84 HE21 GLN 84 8.497 5.152 -66.930 415 HE22 GLN 84 HE22 GLN 84 9.838 4.170 -66.460 416 H GLU 85 H GLU 85 3.461 3.696 -65.939 417 HA GLU 85 HA GLU 85 2.508 5.192 -68.205 418 HB2 GLU 85 HB2 GLU 85 2.289 2.392 -67.234 419 HB3 GLU 85 HB3 GLU 85 1.023 2.967 -68.310 420 HG2 GLU 85 HG2 GLU 85 2.977 3.742 -69.811 421 HG3 GLU 85 HG3 GLU 85 3.941 2.627 -68.845 422 H ARG 86 H ARG 86 1.131 3.950 -65.194 423 HA ARG 86 HA ARG 86 -1.546 4.550 -65.641 424 HB2 ARG 86 HB2 ARG 86 0.135 4.366 -63.164 425 HB3 ARG 86 HB3 ARG 86 -1.542 4.883 -63.053 426 HG2 ARG 86 HG2 ARG 86 -0.855 2.365 -64.501 427 HG3 ARG 86 HG3 ARG 86 -0.934 2.383 -62.738 428 HD2 ARG 86 HD2 ARG 86 -3.151 3.316 -64.556 429 HD3 ARG 86 HD3 ARG 86 -3.060 1.706 -63.844 430 HE ARG 86 HE ARG 86 -2.873 3.684 -61.832 431 HH11 ARG 86 HH11 ARG 86 -5.153 2.183 -63.992 432 HH12 ARG 86 HH12 ARG 86 -6.515 2.464 -62.960 433 HH21 ARG 86 HH21 ARG 86 -4.658 4.060 -60.463 434 HH22 ARG 86 HH22 ARG 86 -6.233 3.533 -60.953 435 H GLU 87 H GLU 87 1.065 6.607 -64.436 436 HA GLU 87 HA GLU 87 1.175 8.845 -63.998 437 HB2 GLU 87 HB2 GLU 87 0.485 8.483 -66.605 438 HB3 GLU 87 HB3 GLU 87 -0.820 9.527 -66.059 439 HG2 GLU 87 HG2 GLU 87 0.782 11.181 -65.305 440 HG3 GLU 87 HG3 GLU 87 2.116 10.127 -65.772 441 H LEU 88 H LEU 88 -0.659 7.525 -62.358 442 HA LEU 88 HA LEU 88 -2.797 9.532 -62.071 443 HB2 LEU 88 HB2 LEU 88 -3.311 7.010 -62.508 444 HB3 LEU 88 HB3 LEU 88 -2.925 6.832 -60.798 445 HG LEU 88 HG LEU 88 -4.950 8.864 -61.610 446 HD11 LEU 88 HD11 LEU 88 -6.028 6.207 -61.009 447 HD12 LEU 88 HD12 LEU 88 -5.225 6.339 -62.574 448 HD13 LEU 88 HD13 LEU 88 -6.563 7.416 -62.176 449 HD21 LEU 88 HD21 LEU 88 -4.192 7.306 -59.205 450 HD22 LEU 88 HD22 LEU 88 -5.898 7.702 -59.413 451 HD23 LEU 88 HD23 LEU 88 -4.694 8.990 -59.356 452 H VAL 89 H VAL 89 -0.208 7.801 -60.512 453 HA VAL 89 HA VAL 89 -0.390 9.646 -58.247 454 HB VAL 89 HB VAL 89 -0.078 6.658 -57.928 455 HG11 VAL 89 HG11 VAL 89 1.310 7.796 -56.333 456 HG12 VAL 89 HG12 VAL 89 -0.006 8.892 -55.905 457 HG13 VAL 89 HG13 VAL 89 -0.116 7.178 -55.499 458 HG21 VAL 89 HG21 VAL 89 -2.328 8.546 -57.276 459 HG22 VAL 89 HG22 VAL 89 -2.369 7.121 -58.314 460 HG23 VAL 89 HG23 VAL 89 -2.190 6.936 -56.570 461 H GLU 90 H GLU 90 1.456 10.741 -58.627 462 HA GLU 90 HA GLU 90 3.930 9.170 -58.934 463 HB2 GLU 90 HB2 GLU 90 3.237 11.932 -59.939 464 HB3 GLU 90 HB3 GLU 90 4.871 11.282 -59.949 465 HG2 GLU 90 HG2 GLU 90 3.858 9.330 -61.281 466 HG3 GLU 90 HG3 GLU 90 2.493 10.415 -61.541 467 H GLY 91 H GLY 91 5.619 9.541 -57.573 468 HA2 GLY 91 HA2 GLY 91 6.869 10.842 -56.017 469 HA3 GLY 91 HA3 GLY 91 5.417 11.771 -55.674 470 H GLY 92 H GLY 92 4.308 11.293 -53.884 471 HA2 GLY 92 HA2 GLY 92 5.201 9.003 -52.307 472 HA3 GLY 92 HA3 GLY 92 4.219 10.342 -51.732 Start of MODEL 6 1 H1 GLY 39 H GLY 39 2.315 -11.216 -8.067 2 HA2 GLY 39 HA2 GLY 39 3.456 -9.086 -8.974 3 HA3 GLY 39 HA3 GLY 39 4.230 -10.222 -10.068 4 H SER 40 H SER 40 2.488 -7.977 -10.702 5 HA SER 40 HA SER 40 0.705 -7.439 -12.015 6 HB2 SER 40 HB2 SER 40 0.508 -8.679 -13.978 7 HB3 SER 40 HB3 SER 40 2.123 -9.125 -13.426 8 HG SER 40 HG SER 40 0.190 -10.757 -13.972 9 H CYS 41 H CYS 41 0.103 -8.550 -9.425 10 HA CYS 41 HA CYS 41 -2.143 -10.322 -9.724 11 HB2 CYS 41 HB2 CYS 41 -0.705 -10.382 -7.718 12 HB3 CYS 41 HB3 CYS 41 -1.219 -8.750 -7.310 13 HG CYS 41 HG CYS 41 -3.376 -11.397 -7.509 14 H LYS 42 H LYS 42 -1.643 -6.877 -9.220 15 HA LYS 42 HA LYS 42 -4.518 -6.463 -9.701 16 HB2 LYS 42 HB2 LYS 42 -2.750 -5.217 -7.621 17 HB3 LYS 42 HB3 LYS 42 -4.148 -4.343 -8.234 18 HG2 LYS 42 HG2 LYS 42 -5.105 -5.358 -6.446 19 HG3 LYS 42 HG3 LYS 42 -5.367 -6.619 -7.654 20 HD2 LYS 42 HD2 LYS 42 -4.466 -7.870 -5.962 21 HD3 LYS 42 HD3 LYS 42 -2.993 -7.423 -6.826 22 HE2 LYS 42 HE2 LYS 42 -4.024 -5.678 -4.629 23 HE3 LYS 42 HE3 LYS 42 -3.128 -7.145 -4.236 24 HZ1 LYS 42 HZ1 LYS 42 -1.395 -5.733 -4.401 25 HZ2 LYS 42 HZ2 LYS 42 -2.194 -4.666 -5.442 26 HZ3 LYS 42 HZ3 LYS 42 -1.516 -6.092 -6.049 27 H ILE 43 H ILE 43 -4.567 -5.709 -11.730 28 HA ILE 43 HA ILE 43 -2.485 -3.997 -12.763 29 HB ILE 43 HB ILE 43 -5.092 -4.839 -14.036 30 HG12 ILE 43 HG12 ILE 43 -3.275 -6.227 -15.391 31 HG13 ILE 43 HG13 ILE 43 -2.381 -6.076 -13.882 32 HG21 ILE 43 HG21 ILE 43 -4.136 -4.102 -16.120 33 HG22 ILE 43 HG22 ILE 43 -4.103 -2.770 -14.966 34 HG23 ILE 43 HG23 ILE 43 -2.628 -3.669 -15.317 35 HD11 ILE 43 HD11 ILE 43 -3.620 -7.628 -12.894 36 HD12 ILE 43 HD12 ILE 43 -5.125 -6.899 -13.454 37 HD13 ILE 43 HD13 ILE 43 -4.239 -8.008 -14.501 38 HA PRO 44 HA PRO 44 -4.389 -0.187 -11.576 39 HB2 PRO 44 HB2 PRO 44 -2.932 1.450 -13.178 40 HB3 PRO 44 HB3 PRO 44 -2.282 0.718 -11.707 41 HG2 PRO 44 HG2 PRO 44 -1.949 -0.138 -14.557 42 HG3 PRO 44 HG3 PRO 44 -0.738 -0.058 -13.264 43 HD2 PRO 44 HD2 PRO 44 -1.922 -2.376 -14.009 44 HD3 PRO 44 HD3 PRO 44 -1.409 -2.060 -12.339 45 H SER 45 H SER 45 -4.886 1.964 -13.062 46 HA SER 45 HA SER 45 -6.694 0.975 -15.167 47 HB2 SER 45 HB2 SER 45 -7.829 1.993 -13.215 48 HB3 SER 45 HB3 SER 45 -6.949 3.494 -13.504 49 HG SER 45 HG SER 45 -9.166 3.258 -14.418 50 H ILE 46 H ILE 46 -4.322 3.419 -14.318 51 HA ILE 46 HA ILE 46 -4.547 4.945 -16.701 52 HB ILE 46 HB ILE 46 -2.199 4.697 -14.817 53 HG12 ILE 46 HG12 ILE 46 -4.187 5.483 -13.660 54 HG13 ILE 46 HG13 ILE 46 -3.064 6.822 -13.873 55 HG21 ILE 46 HG21 ILE 46 -1.668 6.993 -15.764 56 HG22 ILE 46 HG22 ILE 46 -1.368 5.613 -16.818 57 HG23 ILE 46 HG23 ILE 46 -2.805 6.607 -17.055 58 HD11 ILE 46 HD11 ILE 46 -4.744 6.845 -16.116 59 HD12 ILE 46 HD12 ILE 46 -5.781 6.588 -14.713 60 HD13 ILE 46 HD13 ILE 46 -4.708 7.987 -14.773 61 H ALA 47 H ALA 47 -3.285 1.875 -16.101 62 HA ALA 47 HA ALA 47 -1.438 2.001 -18.377 63 HB1 ALA 47 HB1 ALA 47 -0.436 0.031 -17.579 64 HB2 ALA 47 HB2 ALA 47 -0.750 1.005 -16.142 65 HB3 ALA 47 HB3 ALA 47 -1.810 -0.347 -16.540 66 H THR 48 H THR 48 -4.596 1.106 -17.611 67 HA THR 48 HA THR 48 -4.977 -1.177 -19.205 68 HB THR 48 HB THR 48 -7.362 -0.620 -19.178 69 HG1 THR 48 HG1 THR 48 -8.068 1.352 -18.634 70 HG21 THR 48 HG21 THR 48 -6.832 -1.687 -17.203 71 HG22 THR 48 HG22 THR 48 -7.496 -0.171 -16.594 72 HG23 THR 48 HG23 THR 48 -5.749 -0.400 -16.674 73 H GLY 49 H GLY 49 -5.707 2.241 -19.952 74 HA2 GLY 49 HA2 GLY 49 -6.543 1.973 -22.556 75 HA3 GLY 49 HA3 GLY 49 -5.664 3.371 -21.955 76 H MET 50 H MET 50 -3.197 2.179 -21.400 77 HA MET 50 HA MET 50 -1.969 2.268 -23.924 78 HB2 MET 50 HB2 MET 50 -1.002 1.323 -21.231 79 HB3 MET 50 HB3 MET 50 0.034 1.321 -22.652 80 HG2 MET 50 HG2 MET 50 -1.380 3.795 -21.720 81 HG3 MET 50 HG3 MET 50 0.189 3.311 -21.081 82 HE1 MET 50 HE1 MET 50 -1.304 4.088 -25.065 83 HE2 MET 50 HE2 MET 50 -1.918 4.747 -23.549 84 HE3 MET 50 HE3 MET 50 -0.832 5.709 -24.554 85 H VAL 51 H VAL 51 -2.733 -0.476 -21.803 86 HA VAL 51 HA VAL 51 -1.598 -2.510 -23.326 87 HB VAL 51 HB VAL 51 -4.143 -2.740 -21.718 88 HG11 VAL 51 HG11 VAL 51 -3.436 -4.639 -23.246 89 HG12 VAL 51 HG12 VAL 51 -2.043 -4.840 -22.181 90 HG13 VAL 51 HG13 VAL 51 -3.677 -5.043 -21.547 91 HG21 VAL 51 HG21 VAL 51 -2.968 -2.294 -19.889 92 HG22 VAL 51 HG22 VAL 51 -1.889 -3.639 -20.260 93 HG23 VAL 51 HG23 VAL 51 -1.522 -2.023 -20.863 94 H GLY 52 H GLY 52 -5.026 -1.499 -23.304 95 HA2 GLY 52 HA2 GLY 52 -5.965 -3.102 -25.335 96 HA3 GLY 52 HA3 GLY 52 -6.596 -1.500 -24.983 97 H ALA 53 H ALA 53 -4.391 0.061 -25.654 98 HA ALA 53 HA ALA 53 -4.676 0.167 -28.489 99 HB1 ALA 53 HB1 ALA 53 -2.882 1.983 -28.240 100 HB2 ALA 53 HB2 ALA 53 -4.442 2.250 -27.461 101 HB3 ALA 53 HB3 ALA 53 -3.057 1.726 -26.504 102 H LEU 54 H LEU 54 -2.202 -1.012 -26.295 103 HA LEU 54 HA LEU 54 -0.080 -1.273 -28.094 104 HB2 LEU 54 HB2 LEU 54 -0.843 -2.533 -25.520 105 HB3 LEU 54 HB3 LEU 54 0.402 -3.334 -26.477 106 HG LEU 54 HG LEU 54 0.539 -0.468 -25.541 107 HD11 LEU 54 HD11 LEU 54 0.919 -1.418 -23.543 108 HD12 LEU 54 HD12 LEU 54 2.506 -1.780 -24.222 109 HD13 LEU 54 HD13 LEU 54 1.239 -3.006 -24.240 110 HD21 LEU 54 HD21 LEU 54 1.845 -0.755 -27.509 111 HD22 LEU 54 HD22 LEU 54 2.499 -2.287 -26.928 112 HD23 LEU 54 HD23 LEU 54 2.956 -0.777 -26.139 113 H LEU 55 H LEU 55 -2.598 -3.619 -27.196 114 HA LEU 55 HA LEU 55 -1.695 -5.651 -28.953 115 HB2 LEU 55 HB2 LEU 55 -4.544 -5.378 -28.080 116 HB3 LEU 55 HB3 LEU 55 -3.601 -6.842 -28.349 117 HG LEU 55 HG LEU 55 -3.532 -4.986 -25.985 118 HD11 LEU 55 HD11 LEU 55 -5.073 -6.527 -25.406 119 HD12 LEU 55 HD12 LEU 55 -3.646 -7.488 -25.019 120 HD13 LEU 55 HD13 LEU 55 -4.474 -7.721 -26.559 121 HD21 LEU 55 HD21 LEU 55 -1.327 -5.341 -25.881 122 HD22 LEU 55 HD22 LEU 55 -1.380 -6.612 -27.102 123 HD23 LEU 55 HD23 LEU 55 -1.751 -6.990 -25.419 124 H LEU 56 H LEU 56 -4.317 -3.262 -29.204 125 HA LEU 56 HA LEU 56 -5.381 -3.975 -31.641 126 HB2 LEU 56 HB2 LEU 56 -5.917 -2.031 -29.931 127 HB3 LEU 56 HB3 LEU 56 -4.979 -1.081 -31.082 128 HG LEU 56 HG LEU 56 -6.643 -2.126 -32.824 129 HD11 LEU 56 HD11 LEU 56 -7.638 -3.528 -30.893 130 HD12 LEU 56 HD12 LEU 56 -8.729 -2.766 -32.050 131 HD13 LEU 56 HD13 LEU 56 -8.479 -2.038 -30.463 132 HD21 LEU 56 HD21 LEU 56 -6.460 0.233 -32.461 133 HD22 LEU 56 HD22 LEU 56 -7.300 0.112 -30.914 134 HD23 LEU 56 HD23 LEU 56 -8.170 -0.198 -32.417 135 H LEU 57 H LEU 57 -2.856 -1.499 -31.150 136 HA LEU 57 HA LEU 57 -2.277 -1.035 -33.823 137 HB2 LEU 57 HB2 LEU 57 -0.465 -0.918 -31.418 138 HB3 LEU 57 HB3 LEU 57 -0.045 -0.282 -33.007 139 HG LEU 57 HG LEU 57 -2.233 0.706 -31.182 140 HD11 LEU 57 HD11 LEU 57 -0.218 2.579 -32.118 141 HD12 LEU 57 HD12 LEU 57 0.464 1.260 -31.167 142 HD13 LEU 57 HD13 LEU 57 -0.810 2.271 -30.485 143 HD21 LEU 57 HD21 LEU 57 -3.247 1.465 -33.009 144 HD22 LEU 57 HD22 LEU 57 -1.926 0.920 -34.043 145 HD23 LEU 57 HD23 LEU 57 -1.848 2.507 -33.274 146 H LEU 58 H LEU 58 -0.873 -3.422 -31.609 147 HA LEU 58 HA LEU 58 1.115 -4.444 -33.249 148 HB2 LEU 58 HB2 LEU 58 -0.496 -5.498 -30.994 149 HB3 LEU 58 HB3 LEU 58 0.405 -6.665 -31.960 150 HG LEU 58 HG LEU 58 1.702 -4.275 -30.670 151 HD11 LEU 58 HD11 LEU 58 1.149 -7.005 -29.555 152 HD12 LEU 58 HD12 LEU 58 0.849 -5.430 -28.822 153 HD13 LEU 58 HD13 LEU 58 2.501 -6.022 -28.992 154 HD21 LEU 58 HD21 LEU 58 3.525 -4.986 -31.712 155 HD22 LEU 58 HD22 LEU 58 2.571 -6.238 -32.509 156 HD23 LEU 58 HD23 LEU 58 3.358 -6.575 -30.966 157 H VAL 59 H VAL 59 -2.258 -5.543 -32.939 158 HA VAL 59 HA VAL 59 -2.077 -7.540 -34.933 159 HB VAL 59 HB VAL 59 -4.582 -6.078 -34.098 160 HG11 VAL 59 HG11 VAL 59 -5.151 -7.398 -35.916 161 HG12 VAL 59 HG12 VAL 59 -4.010 -8.672 -35.477 162 HG13 VAL 59 HG13 VAL 59 -5.496 -8.458 -34.550 163 HG21 VAL 59 HG21 VAL 59 -4.443 -8.484 -32.708 164 HG22 VAL 59 HG22 VAL 59 -2.830 -7.786 -32.560 165 HG23 VAL 59 HG23 VAL 59 -4.241 -6.863 -32.042 166 H VAL 60 H VAL 60 -3.310 -4.206 -35.014 167 HA VAL 60 HA VAL 60 -4.195 -4.126 -37.640 168 HB VAL 60 HB VAL 60 -2.889 -1.897 -36.074 169 HG11 VAL 60 HG11 VAL 60 -2.886 -1.141 -38.277 170 HG12 VAL 60 HG12 VAL 60 -4.416 -1.936 -38.653 171 HG13 VAL 60 HG13 VAL 60 -4.395 -0.502 -37.626 172 HG21 VAL 60 HG21 VAL 60 -5.775 -1.826 -36.386 173 HG22 VAL 60 HG22 VAL 60 -5.227 -3.263 -35.523 174 HG23 VAL 60 HG23 VAL 60 -4.792 -1.660 -34.931 175 H ALA 61 H ALA 61 -1.002 -3.075 -36.438 176 HA ALA 61 HA ALA 61 0.121 -2.616 -38.972 177 HB1 ALA 61 HB1 ALA 61 1.267 -1.605 -37.232 178 HB2 ALA 61 HB2 ALA 61 1.271 -3.070 -36.249 179 HB3 ALA 61 HB3 ALA 61 2.325 -2.951 -37.658 180 H LEU 62 H LEU 62 -0.132 -5.509 -37.008 181 HA LEU 62 HA LEU 62 1.730 -7.097 -38.410 182 HB2 LEU 62 HB2 LEU 62 -0.513 -7.590 -36.535 183 HB3 LEU 62 HB3 LEU 62 0.050 -8.953 -37.499 184 HG LEU 62 HG LEU 62 1.917 -7.315 -35.804 185 HD11 LEU 62 HD11 LEU 62 1.382 -9.781 -34.557 186 HD12 LEU 62 HD12 LEU 62 -0.178 -9.032 -34.899 187 HD13 LEU 62 HD13 LEU 62 1.031 -8.159 -33.958 188 HD21 LEU 62 HD21 LEU 62 2.244 -10.200 -36.448 189 HD22 LEU 62 HD22 LEU 62 3.464 -8.951 -36.197 190 HD23 LEU 62 HD23 LEU 62 2.564 -9.014 -37.713 191 H GLY 63 H GLY 63 -1.840 -7.167 -38.575 192 HA2 GLY 63 HA2 GLY 63 -2.100 -8.881 -40.729 193 HA3 GLY 63 HA3 GLY 63 -3.253 -7.617 -40.329 194 H ILE 64 H ILE 64 -1.838 -5.334 -40.818 195 HA ILE 64 HA ILE 64 -2.014 -5.133 -43.634 196 HB ILE 64 HB ILE 64 -0.754 -3.210 -41.675 197 HG12 ILE 64 HG12 ILE 64 -3.522 -3.163 -42.891 198 HG13 ILE 64 HG13 ILE 64 -3.168 -3.775 -41.279 199 HG21 ILE 64 HG21 ILE 64 -1.814 -1.871 -43.911 200 HG22 ILE 64 HG22 ILE 64 -0.122 -2.032 -43.445 201 HG23 ILE 64 HG23 ILE 64 -0.852 -3.211 -44.533 202 HD11 ILE 64 HD11 ILE 64 -2.800 -0.958 -42.263 203 HD12 ILE 64 HD12 ILE 64 -4.000 -1.540 -41.109 204 HD13 ILE 64 HD13 ILE 64 -2.290 -1.543 -40.680 205 H GLY 65 H GLY 65 0.730 -5.335 -41.405 206 HA2 GLY 65 HA2 GLY 65 2.766 -4.900 -43.301 207 HA3 GLY 65 HA3 GLY 65 2.960 -5.740 -41.769 208 H LEU 66 H LEU 66 1.392 -7.942 -42.066 209 HA LEU 66 HA LEU 66 3.019 -9.634 -43.629 210 HB2 LEU 66 HB2 LEU 66 0.411 -9.984 -42.201 211 HB3 LEU 66 HB3 LEU 66 1.061 -11.274 -43.211 212 HG LEU 66 HG LEU 66 2.743 -10.096 -41.037 213 HD11 LEU 66 HD11 LEU 66 1.195 -12.493 -40.342 214 HD12 LEU 66 HD12 LEU 66 0.269 -10.994 -40.415 215 HD13 LEU 66 HD13 LEU 66 1.669 -11.114 -39.349 216 HD21 LEU 66 HD21 LEU 66 2.797 -12.386 -42.837 217 HD22 LEU 66 HD22 LEU 66 3.096 -12.819 -41.153 218 HD23 LEU 66 HD23 LEU 66 4.108 -11.611 -41.946 219 H PHE 67 H PHE 67 0.009 -7.980 -44.268 220 HA PHE 67 HA PHE 67 -0.622 -9.444 -46.643 221 HB2 PHE 67 HB2 PHE 67 -2.169 -8.006 -45.090 222 HB3 PHE 67 HB3 PHE 67 -1.646 -6.677 -46.120 223 HD1 PHE 67 HD2 PHE 67 -3.015 -10.135 -46.388 224 HD2 PHE 67 HD1 PHE 67 -2.879 -6.197 -47.997 225 HE1 PHE 67 HE2 PHE 67 -4.721 -10.758 -48.048 226 HE2 PHE 67 HE1 PHE 67 -4.585 -6.813 -49.660 227 HZ PHE 67 HZ PHE 67 -5.508 -9.096 -49.687 228 H MET 68 H MET 68 0.811 -6.263 -45.987 229 HA MET 68 HA MET 68 1.209 -5.638 -48.744 230 HB2 MET 68 HB2 MET 68 2.552 -4.430 -46.321 231 HB3 MET 68 HB3 MET 68 2.478 -3.728 -47.932 232 HG2 MET 68 HG2 MET 68 -0.068 -4.376 -46.542 233 HG3 MET 68 HG3 MET 68 0.848 -2.962 -46.026 234 HE1 MET 68 HE1 MET 68 -2.190 -3.567 -48.714 235 HE2 MET 68 HE2 MET 68 -1.943 -3.376 -46.979 236 HE3 MET 68 HE3 MET 68 -2.287 -1.966 -47.981 237 H ARG 69 H ARG 69 2.948 -7.457 -46.398 238 HA ARG 69 HA ARG 69 5.528 -7.242 -47.609 239 HB2 ARG 69 HB2 ARG 69 4.302 -8.897 -45.456 240 HB3 ARG 69 HB3 ARG 69 5.789 -9.479 -46.192 241 HG2 ARG 69 HG2 ARG 69 6.986 -7.552 -45.516 242 HG3 ARG 69 HG3 ARG 69 5.504 -6.714 -45.051 243 HD2 ARG 69 HD2 ARG 69 5.183 -8.666 -43.398 244 HD3 ARG 69 HD3 ARG 69 6.891 -8.994 -43.686 245 HE ARG 69 HE ARG 69 6.587 -6.280 -43.052 246 HH11 ARG 69 HH11 ARG 69 6.317 -9.417 -41.566 247 HH12 ARG 69 HH12 ARG 69 6.713 -8.844 -39.980 248 HH21 ARG 69 HH21 ARG 69 7.109 -5.513 -40.969 249 HH22 ARG 69 HH22 ARG 69 7.163 -6.623 -39.641 250 H ARG 70 H ARG 70 2.724 -8.761 -48.567 251 HA ARG 70 HA ARG 70 3.825 -11.163 -49.665 252 HB2 ARG 70 HB2 ARG 70 1.246 -9.771 -50.405 253 HB3 ARG 70 HB3 ARG 70 1.665 -11.448 -50.727 254 HG2 ARG 70 HG2 ARG 70 1.726 -11.872 -48.302 255 HG3 ARG 70 HG3 ARG 70 1.225 -10.203 -48.021 256 HD2 ARG 70 HD2 ARG 70 -0.320 -12.429 -49.318 257 HD3 ARG 70 HD3 ARG 70 -0.745 -11.487 -47.891 258 HE ARG 70 HE ARG 70 -0.657 -9.614 -49.822 259 HH11 ARG 70 HH11 ARG 70 -2.232 -12.712 -49.614 260 HH12 ARG 70 HH12 ARG 70 -3.554 -12.255 -50.636 261 HH21 ARG 70 HH21 ARG 70 -2.393 -9.000 -51.169 262 HH22 ARG 70 HH22 ARG 70 -3.644 -10.143 -51.520 263 H ARG 71 H ARG 71 3.143 -7.928 -50.878 264 HA ARG 71 HA ARG 71 4.211 -8.691 -53.505 265 HB2 ARG 71 HB2 ARG 71 2.346 -6.579 -52.552 266 HB3 ARG 71 HB3 ARG 71 3.373 -6.188 -53.925 267 HG2 ARG 71 HG2 ARG 71 1.640 -8.640 -53.827 268 HG3 ARG 71 HG3 ARG 71 1.091 -7.092 -54.472 269 HD2 ARG 71 HD2 ARG 71 2.794 -7.125 -56.161 270 HD3 ARG 71 HD3 ARG 71 3.538 -8.555 -55.447 271 HE ARG 71 HE ARG 71 1.342 -8.500 -57.252 272 HH11 ARG 71 HH11 ARG 71 2.660 -10.219 -54.526 273 HH12 ARG 71 HH12 ARG 71 1.892 -11.718 -54.935 274 HH21 ARG 71 HH21 ARG 71 0.325 -10.467 -57.800 275 HH22 ARG 71 HH22 ARG 71 0.565 -11.858 -56.797 276 H HIS 72 H HIS 72 4.744 -6.599 -50.753 277 HA HIS 72 HA HIS 72 6.653 -4.864 -51.809 278 HB2 HIS 72 HB2 HIS 72 6.012 -5.866 -49.074 279 HB3 HIS 72 HB3 HIS 72 7.532 -5.006 -49.305 280 HD1 HIS 72 HD1 HIS 72 6.442 -2.900 -51.367 281 HD2 HIS 72 HD2 HIS 72 4.662 -3.879 -47.742 282 HE1 HIS 72 HE1 HIS 72 5.039 -0.907 -50.746 283 H ILE 73 H ILE 73 6.873 -8.212 -51.020 284 HA ILE 73 HA ILE 73 9.781 -8.208 -50.977 285 HB ILE 73 HB ILE 73 7.825 -10.503 -50.797 286 HG12 ILE 73 HG12 ILE 73 7.838 -8.871 -48.886 287 HG13 ILE 73 HG13 ILE 73 8.287 -10.513 -48.441 288 HG21 ILE 73 HG21 ILE 73 9.620 -11.706 -51.406 289 HG22 ILE 73 HG22 ILE 73 10.745 -10.395 -51.056 290 HG23 ILE 73 HG23 ILE 73 10.153 -11.420 -49.750 291 HD11 ILE 73 HD11 ILE 73 10.488 -9.951 -48.075 292 HD12 ILE 73 HD12 ILE 73 10.405 -8.524 -49.108 293 HD13 ILE 73 HD13 ILE 73 9.639 -8.509 -47.520 294 H VAL 74 H VAL 74 7.204 -8.707 -53.205 295 HA VAL 74 HA VAL 74 8.623 -10.330 -55.076 296 HB VAL 74 HB VAL 74 6.283 -8.531 -55.694 297 HG11 VAL 74 HG11 VAL 74 5.816 -10.476 -57.291 298 HG12 VAL 74 HG12 VAL 74 7.145 -9.388 -57.695 299 HG13 VAL 74 HG13 VAL 74 7.481 -10.965 -56.979 300 HG21 VAL 74 HG21 VAL 74 6.203 -11.356 -54.638 301 HG22 VAL 74 HG22 VAL 74 5.802 -9.912 -53.708 302 HG23 VAL 74 HG23 VAL 74 4.817 -10.367 -55.098 303 H ARG 75 H ARG 75 9.275 -9.659 -57.227 304 HA ARG 75 HA ARG 75 11.155 -7.692 -57.325 305 HB2 ARG 75 HB2 ARG 75 9.410 -8.615 -59.615 306 HB3 ARG 75 HB3 ARG 75 10.929 -7.746 -59.787 307 HG2 ARG 75 HG2 ARG 75 12.167 -9.573 -58.899 308 HG3 ARG 75 HG3 ARG 75 10.691 -10.414 -58.421 309 HD2 ARG 75 HD2 ARG 75 10.061 -10.498 -60.842 310 HD3 ARG 75 HD3 ARG 75 11.661 -9.860 -61.219 311 HE ARG 75 HE ARG 75 11.844 -12.174 -59.586 312 HH11 ARG 75 HH11 ARG 75 11.227 -11.135 -62.851 313 HH12 ARG 75 HH12 ARG 75 11.781 -12.613 -63.564 314 HH21 ARG 75 HH21 ARG 75 12.577 -14.124 -60.513 315 HH22 ARG 75 HH22 ARG 75 12.548 -14.313 -62.234 316 H LYS 76 H LYS 76 10.849 -5.649 -56.684 317 HA LYS 76 HA LYS 76 8.459 -4.193 -56.921 318 HB2 LYS 76 HB2 LYS 76 11.314 -3.303 -56.514 319 HB3 LYS 76 HB3 LYS 76 9.950 -2.194 -56.475 320 HG2 LYS 76 HG2 LYS 76 10.227 -2.646 -54.247 321 HG3 LYS 76 HG3 LYS 76 9.017 -3.853 -54.691 322 HD2 LYS 76 HD2 LYS 76 10.560 -5.594 -54.651 323 HD3 LYS 76 HD3 LYS 76 11.939 -4.505 -54.819 324 HE2 LYS 76 HE2 LYS 76 10.239 -4.208 -52.405 325 HE3 LYS 76 HE3 LYS 76 11.274 -5.632 -52.499 326 HZ1 LYS 76 HZ1 LYS 76 13.165 -4.131 -52.903 327 HZ2 LYS 76 HZ2 LYS 76 12.440 -3.870 -51.398 328 HZ3 LYS 76 HZ3 LYS 76 12.147 -2.799 -52.675 329 H ARG 77 H ARG 77 11.007 -4.795 -59.165 330 HA ARG 77 HA ARG 77 10.776 -2.569 -60.844 331 HB2 ARG 77 HB2 ARG 77 11.782 -5.350 -61.135 332 HB3 ARG 77 HB3 ARG 77 11.449 -4.461 -62.615 333 HG2 ARG 77 HG2 ARG 77 12.925 -2.640 -61.772 334 HG3 ARG 77 HG3 ARG 77 13.350 -3.687 -60.416 335 HD2 ARG 77 HD2 ARG 77 15.043 -3.867 -62.120 336 HD3 ARG 77 HD3 ARG 77 14.148 -5.383 -62.029 337 HE ARG 77 HE ARG 77 12.976 -3.756 -63.989 338 HH11 ARG 77 HH11 ARG 77 15.902 -5.549 -63.404 339 HH12 ARG 77 HH12 ARG 77 16.206 -5.852 -65.083 340 HH21 ARG 77 HH21 ARG 77 13.365 -4.149 -66.202 341 HH22 ARG 77 HH22 ARG 77 14.763 -5.054 -66.673 342 H THR 78 H THR 78 8.864 -5.496 -60.599 343 HA THR 78 HA THR 78 7.486 -5.477 -62.988 344 HB THR 78 HB THR 78 5.985 -6.044 -60.459 345 HG1 THR 78 HG1 THR 78 8.070 -7.662 -61.547 346 HG21 THR 78 HG21 THR 78 5.278 -8.027 -61.837 347 HG22 THR 78 HG22 THR 78 6.162 -7.316 -63.187 348 HG23 THR 78 HG23 THR 78 4.791 -6.461 -62.483 349 H LEU 79 H LEU 79 6.439 -3.913 -59.954 350 HA LEU 79 HA LEU 79 4.171 -2.658 -60.917 351 HB2 LEU 79 HB2 LEU 79 6.058 -2.147 -58.687 352 HB3 LEU 79 HB3 LEU 79 4.941 -0.853 -59.116 353 HG LEU 79 HG LEU 79 3.064 -2.474 -58.781 354 HD11 LEU 79 HD11 LEU 79 4.079 -4.356 -57.096 355 HD12 LEU 79 HD12 LEU 79 5.337 -4.260 -58.327 356 HD13 LEU 79 HD13 LEU 79 3.676 -4.627 -58.792 357 HD21 LEU 79 HD21 LEU 79 3.310 -1.005 -57.016 358 HD22 LEU 79 HD22 LEU 79 4.908 -1.618 -56.589 359 HD23 LEU 79 HD23 LEU 79 3.469 -2.568 -56.214 360 H ARG 80 H ARG 80 7.516 -1.476 -60.897 361 HA ARG 80 HA ARG 80 7.010 1.074 -61.943 362 HB2 ARG 80 HB2 ARG 80 9.386 -0.703 -61.740 363 HB3 ARG 80 HB3 ARG 80 9.479 0.644 -62.868 364 HG2 ARG 80 HG2 ARG 80 10.164 1.842 -61.123 365 HG3 ARG 80 HG3 ARG 80 8.476 1.826 -60.608 366 HD2 ARG 80 HD2 ARG 80 8.837 0.229 -59.007 367 HD3 ARG 80 HD3 ARG 80 10.196 -0.486 -59.874 368 HE ARG 80 HE ARG 80 11.578 0.863 -58.671 369 HH11 ARG 80 HH11 ARG 80 8.404 2.291 -58.703 370 HH12 ARG 80 HH12 ARG 80 8.835 3.591 -57.641 371 HH21 ARG 80 HH21 ARG 80 12.159 2.569 -57.273 372 HH22 ARG 80 HH22 ARG 80 10.972 3.748 -56.829 373 H ARG 81 H ARG 81 7.922 -1.943 -63.594 374 HA ARG 81 HA ARG 81 8.041 -0.990 -66.192 375 HB2 ARG 81 HB2 ARG 81 7.369 -3.661 -65.012 376 HB3 ARG 81 HB3 ARG 81 7.214 -3.412 -66.746 377 HG2 ARG 81 HG2 ARG 81 9.746 -2.786 -65.262 378 HG3 ARG 81 HG3 ARG 81 9.396 -4.392 -65.906 379 HD2 ARG 81 HD2 ARG 81 9.419 -1.857 -67.539 380 HD3 ARG 81 HD3 ARG 81 10.773 -2.981 -67.419 381 HE ARG 81 HE ARG 81 8.441 -3.276 -69.030 382 HH11 ARG 81 HH11 ARG 81 10.826 -5.043 -67.211 383 HH12 ARG 81 HH12 ARG 81 10.661 -6.490 -68.151 384 HH21 ARG 81 HH21 ARG 81 8.214 -5.175 -70.274 385 HH22 ARG 81 HH22 ARG 81 9.175 -6.563 -69.893 386 H LEU 82 H LEU 82 5.246 -1.914 -64.270 387 HA LEU 82 HA LEU 82 3.382 -1.756 -66.434 388 HB2 LEU 82 HB2 LEU 82 2.876 -1.637 -63.465 389 HB3 LEU 82 HB3 LEU 82 1.673 -1.940 -64.716 390 HG LEU 82 HG LEU 82 3.988 -3.801 -64.484 391 HD11 LEU 82 HD11 LEU 82 3.481 -4.559 -62.465 392 HD12 LEU 82 HD12 LEU 82 1.785 -4.740 -62.912 393 HD13 LEU 82 HD13 LEU 82 2.369 -3.204 -62.271 394 HD21 LEU 82 HD21 LEU 82 2.196 -5.417 -65.119 395 HD22 LEU 82 HD22 LEU 82 2.482 -4.146 -66.308 396 HD23 LEU 82 HD23 LEU 82 1.082 -4.055 -65.238 397 H LEU 83 H LEU 83 4.454 0.429 -63.880 398 HA LEU 83 HA LEU 83 2.549 2.461 -64.341 399 HB2 LEU 83 HB2 LEU 83 5.191 2.297 -62.977 400 HB3 LEU 83 HB3 LEU 83 4.511 3.888 -63.311 401 HG LEU 83 HG LEU 83 2.999 1.778 -61.790 402 HD11 LEU 83 HD11 LEU 83 3.909 3.717 -59.999 403 HD12 LEU 83 HD12 LEU 83 5.320 3.254 -60.948 404 HD13 LEU 83 HD13 LEU 83 4.397 2.024 -60.086 405 HD21 LEU 83 HD21 LEU 83 2.743 4.769 -62.063 406 HD22 LEU 83 HD22 LEU 83 1.825 3.792 -60.917 407 HD23 LEU 83 HD23 LEU 83 1.622 3.541 -62.651 408 H GLN 84 H GLN 84 5.651 1.720 -65.794 409 HA GLN 84 HA GLN 84 6.225 4.101 -67.080 410 HB2 GLN 84 HB2 GLN 84 6.709 1.245 -67.913 411 HB3 GLN 84 HB3 GLN 84 7.323 2.613 -68.831 412 HG2 GLN 84 HG2 GLN 84 7.935 2.679 -65.964 413 HG3 GLN 84 HG3 GLN 84 8.669 1.347 -66.855 414 HE21 GLN 84 HE21 GLN 84 10.500 1.737 -67.884 415 HE22 GLN 84 HE22 GLN 84 11.138 3.299 -68.256 416 H GLU 85 H GLU 85 4.151 1.438 -68.175 417 HA GLU 85 HA GLU 85 3.452 2.773 -70.622 418 HB2 GLU 85 HB2 GLU 85 2.736 0.215 -69.291 419 HB3 GLU 85 HB3 GLU 85 1.585 0.862 -70.451 420 HG2 GLU 85 HG2 GLU 85 4.493 0.415 -71.065 421 HG3 GLU 85 HG3 GLU 85 3.230 -0.773 -71.376 422 H ARG 86 H ARG 86 1.913 2.228 -67.487 423 HA ARG 86 HA ARG 86 -0.614 3.251 -68.054 424 HB2 ARG 86 HB2 ARG 86 0.999 3.202 -65.508 425 HB3 ARG 86 HB3 ARG 86 -0.649 3.814 -65.566 426 HG2 ARG 86 HG2 ARG 86 -1.471 1.664 -66.279 427 HG3 ARG 86 HG3 ARG 86 0.175 1.035 -66.378 428 HD2 ARG 86 HD2 ARG 86 0.442 1.403 -63.963 429 HD3 ARG 86 HD3 ARG 86 -1.219 1.990 -63.879 430 HE ARG 86 HE ARG 86 -1.075 -0.617 -65.017 431 HH11 ARG 86 HH11 ARG 86 -0.998 1.124 -62.003 432 HH12 ARG 86 HH12 ARG 86 -1.586 -0.211 -61.067 433 HH21 ARG 86 HH21 ARG 86 -1.849 -2.381 -63.796 434 HH22 ARG 86 HH22 ARG 86 -2.069 -2.204 -62.088 435 H GLU 87 H GLU 87 2.403 4.882 -67.385 436 HA GLU 87 HA GLU 87 1.283 7.456 -66.907 437 HB2 GLU 87 HB2 GLU 87 4.003 6.352 -67.367 438 HB3 GLU 87 HB3 GLU 87 3.774 8.067 -67.681 439 HG2 GLU 87 HG2 GLU 87 2.757 6.974 -65.118 440 HG3 GLU 87 HG3 GLU 87 4.499 7.158 -65.313 441 H LEU 88 H LEU 88 2.063 5.646 -69.748 442 HA LEU 88 HA LEU 88 2.342 7.766 -71.585 443 HB2 LEU 88 HB2 LEU 88 2.727 5.146 -71.761 444 HB3 LEU 88 HB3 LEU 88 1.105 5.207 -72.449 445 HG LEU 88 HG LEU 88 2.696 5.222 -74.236 446 HD11 LEU 88 HD11 LEU 88 1.777 6.909 -75.451 447 HD12 LEU 88 HD12 LEU 88 1.985 8.101 -74.168 448 HD13 LEU 88 HD13 LEU 88 0.673 6.927 -74.075 449 HD21 LEU 88 HD21 LEU 88 4.693 5.943 -73.206 450 HD22 LEU 88 HD22 LEU 88 3.975 7.476 -72.708 451 HD23 LEU 88 HD23 LEU 88 4.307 7.169 -74.414 452 H VAL 89 H VAL 89 -0.466 6.000 -70.393 453 HA VAL 89 HA VAL 89 -2.183 8.085 -71.536 454 HB VAL 89 HB VAL 89 -2.798 5.133 -71.731 455 HG11 VAL 89 HG11 VAL 89 -4.797 6.456 -71.382 456 HG12 VAL 89 HG12 VAL 89 -4.328 7.552 -72.684 457 HG13 VAL 89 HG13 VAL 89 -4.743 5.876 -73.046 458 HG21 VAL 89 HG21 VAL 89 -1.192 5.527 -73.382 459 HG22 VAL 89 HG22 VAL 89 -2.727 5.699 -74.232 460 HG23 VAL 89 HG23 VAL 89 -1.824 7.133 -73.744 461 H GLU 90 H GLU 90 -2.652 9.001 -69.582 462 HA GLU 90 HA GLU 90 -3.576 7.317 -67.391 463 HB2 GLU 90 HB2 GLU 90 -2.745 10.172 -67.662 464 HB3 GLU 90 HB3 GLU 90 -3.804 9.727 -66.331 465 HG2 GLU 90 HG2 GLU 90 -2.038 7.875 -65.892 466 HG3 GLU 90 HG3 GLU 90 -0.987 8.905 -66.862 467 H GLY 91 H GLY 91 -5.551 8.026 -66.184 468 HA2 GLY 91 HA2 GLY 91 -7.626 9.444 -66.499 469 HA3 GLY 91 HA3 GLY 91 -7.655 8.765 -68.119 470 H GLY 92 H GLY 92 -7.259 7.471 -64.813 471 HA2 GLY 92 HA2 GLY 92 -9.535 5.682 -65.351 472 HA3 GLY 92 HA3 GLY 92 -8.015 5.007 -64.781 Start of MODEL 7 1 H1 GLY 39 H GLY 39 11.872 -2.751 -9.514 2 HA2 GLY 39 HA2 GLY 39 10.026 -3.271 -8.205 3 HA3 GLY 39 HA3 GLY 39 9.525 -1.682 -8.764 4 H SER 40 H SER 40 7.497 -1.696 -9.436 5 HA SER 40 HA SER 40 6.622 -3.753 -11.305 6 HB2 SER 40 HB2 SER 40 4.505 -4.111 -10.022 7 HB3 SER 40 HB3 SER 40 5.940 -4.707 -9.188 8 HG SER 40 HG SER 40 4.364 -2.446 -8.627 9 H CYS 41 H CYS 41 5.211 -3.010 -12.804 10 HA CYS 41 HA CYS 41 4.417 -0.189 -12.571 11 HB2 CYS 41 HB2 CYS 41 4.211 -0.249 -15.043 12 HB3 CYS 41 HB3 CYS 41 5.836 -0.633 -14.487 13 HG CYS 41 HG CYS 41 3.649 -3.143 -15.199 14 H LYS 42 H LYS 42 2.381 0.260 -14.014 15 HA LYS 42 HA LYS 42 0.389 -1.811 -14.023 16 HB2 LYS 42 HB2 LYS 42 0.353 -1.163 -11.651 17 HB3 LYS 42 HB3 LYS 42 0.079 0.513 -12.111 18 HG2 LYS 42 HG2 LYS 42 -2.059 -0.090 -11.670 19 HG3 LYS 42 HG3 LYS 42 -1.991 -0.562 -13.369 20 HD2 LYS 42 HD2 LYS 42 -2.853 -2.480 -12.476 21 HD3 LYS 42 HD3 LYS 42 -1.130 -2.838 -12.327 22 HE2 LYS 42 HE2 LYS 42 -1.122 -2.258 -10.026 23 HE3 LYS 42 HE3 LYS 42 -2.730 -1.544 -10.131 24 HZ1 LYS 42 HZ1 LYS 42 -2.179 -4.072 -9.328 25 HZ2 LYS 42 HZ2 LYS 42 -2.658 -4.300 -10.934 26 HZ3 LYS 42 HZ3 LYS 42 -3.692 -3.519 -9.846 27 H ILE 43 H ILE 43 -0.343 -1.443 -16.019 28 HA ILE 43 HA ILE 43 -0.367 1.030 -17.336 29 HB ILE 43 HB ILE 43 -1.882 -1.519 -17.850 30 HG12 ILE 43 HG12 ILE 43 -0.331 -1.350 -19.937 31 HG13 ILE 43 HG13 ILE 43 0.569 -0.189 -18.967 32 HG21 ILE 43 HG21 ILE 43 -2.278 1.138 -19.022 33 HG22 ILE 43 HG22 ILE 43 -2.046 -0.156 -20.196 34 HG23 ILE 43 HG23 ILE 43 -3.343 -0.268 -19.006 35 HD11 ILE 43 HD11 ILE 43 1.140 -2.774 -18.998 36 HD12 ILE 43 HD12 ILE 43 1.361 -1.775 -17.561 37 HD13 ILE 43 HD13 ILE 43 -0.072 -2.791 -17.717 38 HA PRO 44 HA PRO 44 -3.857 2.987 -15.432 39 HB2 PRO 44 HB2 PRO 44 -4.067 5.053 -17.181 40 HB3 PRO 44 HB3 PRO 44 -2.813 4.970 -15.938 41 HG2 PRO 44 HG2 PRO 44 -2.643 4.290 -18.848 42 HG3 PRO 44 HG3 PRO 44 -1.488 5.178 -17.838 43 HD2 PRO 44 HD2 PRO 44 -1.154 2.570 -18.485 44 HD3 PRO 44 HD3 PRO 44 -0.598 3.250 -16.942 45 H SER 45 H SER 45 -5.863 4.273 -16.598 46 HA SER 45 HA SER 45 -7.256 2.156 -18.031 47 HB2 SER 45 HB2 SER 45 -8.361 4.787 -17.026 48 HB3 SER 45 HB3 SER 45 -9.282 3.369 -17.526 49 HG SER 45 HG SER 45 -8.039 3.906 -15.142 50 H ILE 46 H ILE 46 -6.136 5.446 -18.513 51 HA ILE 46 HA ILE 46 -7.476 5.876 -20.986 52 HB ILE 46 HB ILE 46 -5.014 7.231 -19.879 53 HG12 ILE 46 HG12 ILE 46 -7.840 8.282 -19.896 54 HG13 ILE 46 HG13 ILE 46 -7.207 7.334 -18.555 55 HG21 ILE 46 HG21 ILE 46 -6.818 7.932 -22.185 56 HG22 ILE 46 HG22 ILE 46 -5.696 9.071 -21.444 57 HG23 ILE 46 HG23 ILE 46 -5.084 7.614 -22.226 58 HD11 ILE 46 HD11 ILE 46 -7.010 10.090 -18.943 59 HD12 ILE 46 HD12 ILE 46 -6.228 9.118 -17.696 60 HD13 ILE 46 HD13 ILE 46 -5.389 9.450 -19.211 61 H ALA 47 H ALA 47 -4.714 4.082 -20.101 62 HA ALA 47 HA ALA 47 -3.531 4.171 -22.762 63 HB1 ALA 47 HB1 ALA 47 -1.749 2.830 -21.830 64 HB2 ALA 47 HB2 ALA 47 -2.081 4.199 -20.768 65 HB3 ALA 47 HB3 ALA 47 -2.667 2.591 -20.343 66 H THR 48 H THR 48 -5.973 2.495 -21.253 67 HA THR 48 HA THR 48 -5.579 -0.152 -22.103 68 HB THR 48 HB THR 48 -7.987 -0.457 -21.812 69 HG1 THR 48 HG1 THR 48 -7.998 2.387 -21.695 70 HG21 THR 48 HG21 THR 48 -7.345 -0.598 -19.671 71 HG22 THR 48 HG22 THR 48 -7.959 1.046 -19.491 72 HG23 THR 48 HG23 THR 48 -6.249 0.775 -19.829 73 H GLY 49 H GLY 49 -7.569 2.413 -23.595 74 HA2 GLY 49 HA2 GLY 49 -8.400 1.087 -25.855 75 HA3 GLY 49 HA3 GLY 49 -8.077 2.813 -25.803 76 H MET 50 H MET 50 -5.316 2.772 -25.381 77 HA MET 50 HA MET 50 -4.365 2.498 -28.006 78 HB2 MET 50 HB2 MET 50 -3.078 2.952 -25.344 79 HB3 MET 50 HB3 MET 50 -2.063 2.594 -26.735 80 HG2 MET 50 HG2 MET 50 -4.104 4.790 -26.776 81 HG3 MET 50 HG3 MET 50 -2.467 5.036 -26.172 82 HE1 MET 50 HE1 MET 50 -4.384 3.917 -29.745 83 HE2 MET 50 HE2 MET 50 -4.794 5.305 -28.737 84 HE3 MET 50 HE3 MET 50 -3.920 5.542 -30.251 85 H VAL 51 H VAL 51 -3.918 0.436 -25.149 86 HA VAL 51 HA VAL 51 -2.200 -1.450 -26.264 87 HB VAL 51 HB VAL 51 -4.364 -2.030 -24.239 88 HG11 VAL 51 HG11 VAL 51 -1.664 -3.327 -24.519 89 HG12 VAL 51 HG12 VAL 51 -3.039 -3.862 -23.550 90 HG13 VAL 51 HG13 VAL 51 -3.112 -3.951 -25.310 91 HG21 VAL 51 HG21 VAL 51 -2.148 -0.247 -24.064 92 HG22 VAL 51 HG22 VAL 51 -3.327 -0.670 -22.822 93 HG23 VAL 51 HG23 VAL 51 -1.854 -1.624 -23.001 94 H GLY 52 H GLY 52 -5.748 -1.704 -25.919 95 HA2 GLY 52 HA2 GLY 52 -6.151 -4.070 -27.265 96 HA3 GLY 52 HA3 GLY 52 -7.308 -2.747 -27.248 97 H ALA 53 H ALA 53 -5.873 -0.827 -28.672 98 HA ALA 53 HA ALA 53 -6.360 -1.704 -31.343 99 HB1 ALA 53 HB1 ALA 53 -5.341 0.841 -30.135 100 HB2 ALA 53 HB2 ALA 53 -5.343 0.598 -31.882 101 HB3 ALA 53 HB3 ALA 53 -6.859 0.540 -30.982 102 H LEU 54 H LEU 54 -3.495 -1.239 -29.370 103 HA LEU 54 HA LEU 54 -1.544 -1.307 -31.369 104 HB2 LEU 54 HB2 LEU 54 -1.621 -1.892 -28.463 105 HB3 LEU 54 HB3 LEU 54 -0.228 -2.477 -29.371 106 HG LEU 54 HG LEU 54 -1.095 0.406 -29.383 107 HD11 LEU 54 HD11 LEU 54 0.329 -1.127 -27.334 108 HD12 LEU 54 HD12 LEU 54 -0.480 0.436 -27.230 109 HD13 LEU 54 HD13 LEU 54 1.161 0.333 -27.868 110 HD21 LEU 54 HD21 LEU 54 0.304 0.053 -31.204 111 HD22 LEU 54 HD22 LEU 54 1.298 -1.121 -30.341 112 HD23 LEU 54 HD23 LEU 54 1.416 0.594 -29.946 113 H LEU 55 H LEU 55 -2.950 -3.967 -29.473 114 HA LEU 55 HA LEU 55 -1.457 -6.009 -30.755 115 HB2 LEU 55 HB2 LEU 55 -4.142 -6.464 -29.516 116 HB3 LEU 55 HB3 LEU 55 -2.737 -7.528 -29.542 117 HG LEU 55 HG LEU 55 -3.224 -5.124 -27.803 118 HD11 LEU 55 HD11 LEU 55 -2.341 -7.086 -26.200 119 HD12 LEU 55 HD12 LEU 55 -3.109 -8.052 -27.460 120 HD13 LEU 55 HD13 LEU 55 -4.044 -6.838 -26.587 121 HD21 LEU 55 HD21 LEU 55 -0.695 -6.184 -28.797 122 HD22 LEU 55 HD22 LEU 55 -0.793 -6.137 -27.037 123 HD23 LEU 55 HD23 LEU 55 -1.044 -4.663 -27.974 124 H LEU 56 H LEU 56 -4.792 -4.852 -31.181 125 HA LEU 56 HA LEU 56 -5.658 -6.599 -33.126 126 HB2 LEU 56 HB2 LEU 56 -6.778 -4.527 -31.926 127 HB3 LEU 56 HB3 LEU 56 -6.336 -3.718 -33.427 128 HG LEU 56 HG LEU 56 -7.628 -5.502 -34.646 129 HD11 LEU 56 HD11 LEU 56 -9.445 -6.306 -32.740 130 HD12 LEU 56 HD12 LEU 56 -7.893 -6.474 -31.920 131 HD13 LEU 56 HD13 LEU 56 -8.175 -7.301 -33.452 132 HD21 LEU 56 HD21 LEU 56 -9.866 -4.539 -33.931 133 HD22 LEU 56 HD22 LEU 56 -8.641 -3.385 -34.458 134 HD23 LEU 56 HD23 LEU 56 -8.966 -3.603 -32.737 135 H LEU 57 H LEU 57 -4.216 -3.391 -33.739 136 HA LEU 57 HA LEU 57 -4.017 -3.604 -36.499 137 HB2 LEU 57 HB2 LEU 57 -2.238 -2.145 -34.554 138 HB3 LEU 57 HB3 LEU 57 -2.187 -1.925 -36.302 139 HG LEU 57 HG LEU 57 -4.466 -1.227 -34.454 140 HD11 LEU 57 HD11 LEU 57 -3.372 0.833 -36.185 141 HD12 LEU 57 HD12 LEU 57 -2.179 0.185 -35.059 142 HD13 LEU 57 HD13 LEU 57 -3.691 0.860 -34.451 143 HD21 LEU 57 HD21 LEU 57 -5.804 -1.470 -36.213 144 HD22 LEU 57 HD22 LEU 57 -4.442 -1.812 -37.281 145 HD23 LEU 57 HD23 LEU 57 -4.927 -0.144 -36.977 146 H LEU 58 H LEU 58 -1.689 -4.563 -34.004 147 HA LEU 58 HA LEU 58 0.435 -5.301 -35.627 148 HB2 LEU 58 HB2 LEU 58 -0.525 -6.094 -32.936 149 HB3 LEU 58 HB3 LEU 58 0.689 -7.120 -33.697 150 HG LEU 58 HG LEU 58 1.061 -4.157 -33.309 151 HD11 LEU 58 HD11 LEU 58 1.618 -6.442 -31.454 152 HD12 LEU 58 HD12 LEU 58 0.863 -4.886 -31.110 153 HD13 LEU 58 HD13 LEU 58 2.597 -4.975 -31.418 154 HD21 LEU 58 HD21 LEU 58 2.556 -4.940 -34.934 155 HD22 LEU 58 HD22 LEU 58 2.839 -6.453 -34.074 156 HD23 LEU 58 HD23 LEU 58 3.488 -4.942 -33.437 157 H VAL 59 H VAL 59 -2.251 -7.333 -34.471 158 HA VAL 59 HA VAL 59 -1.461 -9.657 -35.873 159 HB VAL 59 HB VAL 59 -4.274 -8.948 -35.042 160 HG11 VAL 59 HG11 VAL 59 -4.834 -11.089 -35.442 161 HG12 VAL 59 HG12 VAL 59 -3.420 -11.070 -36.498 162 HG13 VAL 59 HG13 VAL 59 -3.290 -11.709 -34.858 163 HG21 VAL 59 HG21 VAL 59 -3.558 -8.924 -32.936 164 HG22 VAL 59 HG22 VAL 59 -3.142 -10.628 -33.121 165 HG23 VAL 59 HG23 VAL 59 -1.927 -9.386 -33.426 166 H VAL 60 H VAL 60 -3.853 -7.135 -36.618 167 HA VAL 60 HA VAL 60 -4.860 -8.169 -38.985 168 HB VAL 60 HB VAL 60 -4.396 -5.262 -38.304 169 HG11 VAL 60 HG11 VAL 60 -6.391 -4.993 -39.889 170 HG12 VAL 60 HG12 VAL 60 -4.807 -5.295 -40.606 171 HG13 VAL 60 HG13 VAL 60 -5.979 -6.606 -40.469 172 HG21 VAL 60 HG21 VAL 60 -6.099 -5.413 -36.885 173 HG22 VAL 60 HG22 VAL 60 -7.118 -6.160 -38.116 174 HG23 VAL 60 HG23 VAL 60 -6.076 -7.163 -37.106 175 H ALA 61 H ALA 61 -2.236 -5.770 -38.661 176 HA ALA 61 HA ALA 61 -1.520 -5.754 -41.376 177 HB1 ALA 61 HB1 ALA 61 -0.731 -3.935 -40.181 178 HB2 ALA 61 HB2 ALA 61 -0.124 -4.934 -38.860 179 HB3 ALA 61 HB3 ALA 61 0.726 -4.903 -40.405 180 H LEU 62 H LEU 62 -0.547 -7.815 -38.709 181 HA LEU 62 HA LEU 62 1.688 -9.016 -39.940 182 HB2 LEU 62 HB2 LEU 62 -0.091 -9.653 -37.653 183 HB3 LEU 62 HB3 LEU 62 0.891 -10.963 -38.306 184 HG LEU 62 HG LEU 62 2.076 -8.345 -37.414 185 HD11 LEU 62 HD11 LEU 62 1.158 -10.659 -35.820 186 HD12 LEU 62 HD12 LEU 62 1.323 -8.961 -35.372 187 HD13 LEU 62 HD13 LEU 62 2.747 -9.999 -35.429 188 HD21 LEU 62 HD21 LEU 62 3.851 -9.265 -38.406 189 HD22 LEU 62 HD22 LEU 62 3.071 -10.842 -38.536 190 HD23 LEU 62 HD23 LEU 62 3.887 -10.380 -37.041 191 H GLY 63 H GLY 63 -1.599 -10.345 -39.483 192 HA2 GLY 63 HA2 GLY 63 -1.324 -12.616 -41.036 193 HA3 GLY 63 HA3 GLY 63 -2.841 -11.762 -40.796 194 H ILE 64 H ILE 64 -2.424 -9.403 -42.097 195 HA ILE 64 HA ILE 64 -2.819 -10.144 -44.798 196 HB ILE 64 HB ILE 64 -2.264 -7.405 -43.650 197 HG12 ILE 64 HG12 ILE 64 -4.910 -8.688 -44.355 198 HG13 ILE 64 HG13 ILE 64 -4.261 -8.605 -42.721 199 HG21 ILE 64 HG21 ILE 64 -3.882 -7.298 -45.965 200 HG22 ILE 64 HG22 ILE 64 -2.254 -6.660 -45.738 201 HG23 ILE 64 HG23 ILE 64 -2.481 -8.300 -46.345 202 HD11 ILE 64 HD11 ILE 64 -4.135 -6.029 -43.303 203 HD12 ILE 64 HD12 ILE 64 -5.432 -6.478 -44.411 204 HD13 ILE 64 HD13 ILE 64 -5.603 -6.783 -42.683 205 H GLY 65 H GLY 65 -0.080 -8.694 -43.080 206 HA2 GLY 65 HA2 GLY 65 1.534 -8.187 -45.328 207 HA3 GLY 65 HA3 GLY 65 2.115 -8.409 -43.684 208 H LEU 66 H LEU 66 1.506 -10.985 -43.125 209 HA LEU 66 HA LEU 66 3.545 -12.405 -44.454 210 HB2 LEU 66 HB2 LEU 66 1.290 -13.367 -42.702 211 HB3 LEU 66 HB3 LEU 66 2.622 -14.384 -43.249 212 HG LEU 66 HG LEU 66 3.236 -11.886 -41.737 213 HD11 LEU 66 HD11 LEU 66 2.527 -12.617 -39.741 214 HD12 LEU 66 HD12 LEU 66 2.927 -14.296 -40.099 215 HD13 LEU 66 HD13 LEU 66 1.414 -13.606 -40.686 216 HD21 LEU 66 HD21 LEU 66 5.268 -12.751 -41.970 217 HD22 LEU 66 HD22 LEU 66 4.614 -14.235 -42.662 218 HD23 LEU 66 HD23 LEU 66 4.773 -14.073 -40.913 219 H PHE 67 H PHE 67 0.103 -12.158 -44.986 220 HA PHE 67 HA PHE 67 -0.077 -14.403 -46.750 221 HB2 PHE 67 HB2 PHE 67 -1.957 -13.201 -45.393 222 HB3 PHE 67 HB3 PHE 67 -2.025 -12.122 -46.783 223 HD1 PHE 67 HD2 PHE 67 -2.001 -15.772 -46.015 224 HD2 PHE 67 HD1 PHE 67 -3.483 -12.633 -48.478 225 HE1 PHE 67 HE2 PHE 67 -3.449 -17.379 -47.186 226 HE2 PHE 67 HE1 PHE 67 -4.934 -14.235 -49.653 227 HZ PHE 67 HZ PHE 67 -4.917 -16.612 -49.009 228 H MET 68 H MET 68 0.097 -10.886 -47.204 229 HA MET 68 HA MET 68 0.052 -11.026 -50.051 230 HB2 MET 68 HB2 MET 68 1.034 -8.781 -48.282 231 HB3 MET 68 HB3 MET 68 0.612 -8.655 -49.984 232 HG2 MET 68 HG2 MET 68 -1.442 -9.651 -48.083 233 HG3 MET 68 HG3 MET 68 -1.059 -7.931 -48.094 234 HE1 MET 68 HE1 MET 68 -3.572 -9.495 -48.453 235 HE2 MET 68 HE2 MET 68 -4.460 -8.635 -49.712 236 HE3 MET 68 HE3 MET 68 -3.836 -10.255 -50.023 237 H ARG 69 H ARG 69 2.452 -11.607 -47.723 238 HA ARG 69 HA ARG 69 4.728 -10.814 -49.259 239 HB2 ARG 69 HB2 ARG 69 4.256 -12.304 -46.729 240 HB3 ARG 69 HB3 ARG 69 5.791 -12.569 -47.544 241 HG2 ARG 69 HG2 ARG 69 6.357 -10.260 -47.395 242 HG3 ARG 69 HG3 ARG 69 4.740 -9.847 -46.821 243 HD2 ARG 69 HD2 ARG 69 6.043 -9.855 -44.884 244 HD3 ARG 69 HD3 ARG 69 5.241 -11.425 -44.866 245 HE ARG 69 HE ARG 69 7.640 -11.839 -46.140 246 HH11 ARG 69 HH11 ARG 69 6.614 -10.667 -43.026 247 HH12 ARG 69 HH12 ARG 69 8.028 -11.234 -42.201 248 HH21 ARG 69 HH21 ARG 69 9.507 -12.589 -45.065 249 HH22 ARG 69 HH22 ARG 69 9.674 -12.326 -43.362 250 H ARG 70 H ARG 70 2.541 -13.300 -49.616 251 HA ARG 70 HA ARG 70 4.332 -15.369 -50.477 252 HB2 ARG 70 HB2 ARG 70 1.381 -15.118 -51.067 253 HB3 ARG 70 HB3 ARG 70 2.353 -16.582 -51.110 254 HG2 ARG 70 HG2 ARG 70 1.941 -14.986 -48.600 255 HG3 ARG 70 HG3 ARG 70 0.853 -16.281 -49.104 256 HD2 ARG 70 HD2 ARG 70 2.800 -17.820 -49.159 257 HD3 ARG 70 HD3 ARG 70 3.801 -16.518 -48.517 258 HE ARG 70 HE ARG 70 1.792 -16.694 -46.716 259 HH11 ARG 70 HH11 ARG 70 3.970 -19.029 -48.104 260 HH12 ARG 70 HH12 ARG 70 3.979 -20.048 -46.703 261 HH21 ARG 70 HH21 ARG 70 1.795 -18.027 -44.865 262 HH22 ARG 70 HH22 ARG 70 2.741 -19.477 -44.861 263 H ARG 71 H ARG 71 2.376 -12.890 -52.056 264 HA ARG 71 HA ARG 71 3.409 -13.727 -54.668 265 HB2 ARG 71 HB2 ARG 71 1.049 -12.169 -53.747 266 HB3 ARG 71 HB3 ARG 71 1.738 -11.741 -55.308 267 HG2 ARG 71 HG2 ARG 71 0.994 -14.563 -54.606 268 HG3 ARG 71 HG3 ARG 71 -0.159 -13.422 -55.303 269 HD2 ARG 71 HD2 ARG 71 0.618 -14.367 -57.223 270 HD3 ARG 71 HD3 ARG 71 1.807 -13.078 -57.046 271 HE ARG 71 HE ARG 71 3.413 -14.666 -56.708 272 HH11 ARG 71 HH11 ARG 71 0.283 -16.107 -56.214 273 HH12 ARG 71 HH12 ARG 71 0.904 -17.716 -56.051 274 HH21 ARG 71 HH21 ARG 71 4.244 -16.780 -56.495 275 HH22 ARG 71 HH22 ARG 71 3.157 -18.097 -56.210 276 H HIS 72 H HIS 72 3.660 -11.228 -52.287 277 HA HIS 72 HA HIS 72 4.691 -9.152 -53.881 278 HB2 HIS 72 HB2 HIS 72 4.691 -9.809 -50.981 279 HB3 HIS 72 HB3 HIS 72 5.872 -8.627 -51.536 280 HD1 HIS 72 HD1 HIS 72 4.131 -7.151 -53.621 281 HD2 HIS 72 HD2 HIS 72 2.868 -8.164 -49.795 282 HE1 HIS 72 HE1 HIS 72 2.264 -5.554 -53.085 283 H ILE 73 H ILE 73 6.029 -12.138 -52.980 284 HA ILE 73 HA ILE 73 8.716 -11.693 -52.658 285 HB ILE 73 HB ILE 73 7.455 -13.914 -54.270 286 HG12 ILE 73 HG12 ILE 73 6.549 -13.851 -52.027 287 HG13 ILE 73 HG13 ILE 73 7.677 -15.197 -52.145 288 HG21 ILE 73 HG21 ILE 73 9.826 -13.746 -54.731 289 HG22 ILE 73 HG22 ILE 73 10.184 -13.711 -53.006 290 HG23 ILE 73 HG23 ILE 73 9.507 -15.166 -53.737 291 HD11 ILE 73 HD11 ILE 73 8.250 -12.517 -50.904 292 HD12 ILE 73 HD12 ILE 73 7.929 -14.022 -50.041 293 HD13 ILE 73 HD13 ILE 73 9.384 -13.862 -51.025 294 H VAL 74 H VAL 74 6.820 -11.450 -55.580 295 HA VAL 74 HA VAL 74 8.860 -11.513 -57.493 296 HB VAL 74 HB VAL 74 6.402 -9.776 -57.675 297 HG11 VAL 74 HG11 VAL 74 8.321 -10.966 -59.634 298 HG12 VAL 74 HG12 VAL 74 6.658 -10.626 -60.119 299 HG13 VAL 74 HG13 VAL 74 7.694 -9.321 -59.538 300 HG21 VAL 74 HG21 VAL 74 6.576 -12.630 -57.368 301 HG22 VAL 74 HG22 VAL 74 5.147 -11.602 -57.477 302 HG23 VAL 74 HG23 VAL 74 5.903 -12.220 -58.946 303 H ARG 75 H ARG 75 9.791 -9.734 -58.706 304 HA ARG 75 HA ARG 75 11.276 -7.972 -57.269 305 HB2 ARG 75 HB2 ARG 75 10.197 -7.725 -60.072 306 HB3 ARG 75 HB3 ARG 75 11.318 -6.552 -59.394 307 HG2 ARG 75 HG2 ARG 75 13.059 -8.090 -59.287 308 HG3 ARG 75 HG3 ARG 75 11.968 -9.472 -59.400 309 HD2 ARG 75 HD2 ARG 75 11.456 -8.883 -61.715 310 HD3 ARG 75 HD3 ARG 75 12.525 -7.486 -61.601 311 HE ARG 75 HE ARG 75 14.306 -8.878 -61.931 312 HH11 ARG 75 HH11 ARG 75 11.551 -10.780 -60.977 313 HH12 ARG 75 HH12 ARG 75 12.340 -12.298 -61.249 314 HH21 ARG 75 HH21 ARG 75 15.356 -10.870 -62.293 315 HH22 ARG 75 HH22 ARG 75 14.505 -12.348 -61.997 316 H LYS 76 H LYS 76 10.674 -6.495 -55.837 317 HA LYS 76 HA LYS 76 8.142 -5.381 -55.571 318 HB2 LYS 76 HB2 LYS 76 10.709 -4.056 -54.695 319 HB3 LYS 76 HB3 LYS 76 9.111 -3.861 -53.986 320 HG2 LYS 76 HG2 LYS 76 10.826 -6.335 -53.920 321 HG3 LYS 76 HG3 LYS 76 10.452 -5.261 -52.569 322 HD2 LYS 76 HD2 LYS 76 8.101 -5.865 -52.713 323 HD3 LYS 76 HD3 LYS 76 8.431 -6.888 -54.114 324 HE2 LYS 76 HE2 LYS 76 9.623 -7.285 -51.372 325 HE3 LYS 76 HE3 LYS 76 8.216 -8.150 -51.988 326 HZ1 LYS 76 HZ1 LYS 76 9.937 -8.622 -53.939 327 HZ2 LYS 76 HZ2 LYS 76 9.797 -9.624 -52.584 328 HZ3 LYS 76 HZ3 LYS 76 11.031 -8.470 -52.657 329 H ARG 77 H ARG 77 10.767 -4.479 -57.638 330 HA ARG 77 HA ARG 77 10.213 -1.807 -58.144 331 HB2 ARG 77 HB2 ARG 77 11.510 -4.008 -59.663 332 HB3 ARG 77 HB3 ARG 77 11.049 -2.573 -60.568 333 HG2 ARG 77 HG2 ARG 77 12.428 -1.182 -59.213 334 HG3 ARG 77 HG3 ARG 77 12.737 -2.500 -58.080 335 HD2 ARG 77 HD2 ARG 77 14.049 -3.674 -59.659 336 HD3 ARG 77 HD3 ARG 77 13.508 -2.642 -60.983 337 HE ARG 77 HE ARG 77 14.746 -0.920 -59.290 338 HH11 ARG 77 HH11 ARG 77 15.682 -3.908 -60.810 339 HH12 ARG 77 HH12 ARG 77 17.362 -3.494 -60.888 340 HH21 ARG 77 HH21 ARG 77 16.955 -0.363 -59.386 341 HH22 ARG 77 HH22 ARG 77 18.086 -1.477 -60.077 342 H THR 78 H THR 78 8.676 -4.708 -59.395 343 HA THR 78 HA THR 78 7.230 -3.695 -61.516 344 HB THR 78 HB THR 78 5.912 -5.620 -59.635 345 HG1 THR 78 HG1 THR 78 7.971 -6.386 -61.437 346 HG21 THR 78 HG21 THR 78 6.103 -5.315 -62.627 347 HG22 THR 78 HG22 THR 78 4.673 -5.151 -61.609 348 HG23 THR 78 HG23 THR 78 5.409 -6.735 -61.846 349 H LEU 79 H LEU 79 6.098 -3.964 -58.141 350 HA LEU 79 HA LEU 79 3.677 -2.614 -58.509 351 HB2 LEU 79 HB2 LEU 79 5.314 -2.598 -55.985 352 HB3 LEU 79 HB3 LEU 79 3.566 -2.430 -56.135 353 HG LEU 79 HG LEU 79 4.391 -4.934 -57.262 354 HD11 LEU 79 HD11 LEU 79 5.526 -5.994 -55.566 355 HD12 LEU 79 HD12 LEU 79 5.038 -4.813 -54.352 356 HD13 LEU 79 HD13 LEU 79 6.274 -4.398 -55.539 357 HD21 LEU 79 HD21 LEU 79 2.875 -5.756 -55.405 358 HD22 LEU 79 HD22 LEU 79 2.164 -4.621 -56.553 359 HD23 LEU 79 HD23 LEU 79 2.668 -4.063 -54.957 360 H ARG 80 H ARG 80 6.875 -1.406 -57.584 361 HA ARG 80 HA ARG 80 6.182 1.235 -57.026 362 HB2 ARG 80 HB2 ARG 80 8.742 0.168 -58.233 363 HB3 ARG 80 HB3 ARG 80 8.545 1.769 -57.532 364 HG2 ARG 80 HG2 ARG 80 7.738 0.334 -55.449 365 HG3 ARG 80 HG3 ARG 80 8.782 -0.868 -56.211 366 HD2 ARG 80 HD2 ARG 80 10.682 0.429 -55.949 367 HD3 ARG 80 HD3 ARG 80 9.763 1.927 -55.815 368 HE ARG 80 HE ARG 80 10.466 0.137 -53.691 369 HH11 ARG 80 HH11 ARG 80 8.154 2.512 -54.757 370 HH12 ARG 80 HH12 ARG 80 7.665 2.947 -53.153 371 HH21 ARG 80 HH21 ARG 80 9.831 0.701 -51.574 372 HH22 ARG 80 HH22 ARG 80 8.620 1.917 -51.343 373 H ARG 81 H ARG 81 7.255 -0.203 -60.100 374 HA ARG 81 HA ARG 81 7.014 2.192 -61.597 375 HB2 ARG 81 HB2 ARG 81 7.176 -0.715 -62.364 376 HB3 ARG 81 HB3 ARG 81 6.988 0.550 -63.570 377 HG2 ARG 81 HG2 ARG 81 9.187 0.792 -61.583 378 HG3 ARG 81 HG3 ARG 81 9.355 -0.361 -62.908 379 HD2 ARG 81 HD2 ARG 81 8.616 2.525 -63.331 380 HD3 ARG 81 HD3 ARG 81 10.286 1.959 -63.311 381 HE ARG 81 HE ARG 81 8.674 0.468 -65.130 382 HH11 ARG 81 HH11 ARG 81 10.414 3.456 -64.729 383 HH12 ARG 81 HH12 ARG 81 10.683 3.679 -66.426 384 HH21 ARG 81 HH21 ARG 81 9.022 0.749 -67.367 385 HH22 ARG 81 HH22 ARG 81 9.889 2.139 -67.926 386 H LEU 82 H LEU 82 4.790 -0.380 -60.777 387 HA LEU 82 HA LEU 82 2.794 0.116 -62.678 388 HB2 LEU 82 HB2 LEU 82 2.892 -1.162 -59.997 389 HB3 LEU 82 HB3 LEU 82 1.311 -0.766 -60.666 390 HG LEU 82 HG LEU 82 3.280 -2.383 -62.246 391 HD11 LEU 82 HD11 LEU 82 3.221 -3.685 -60.319 392 HD12 LEU 82 HD12 LEU 82 1.943 -4.372 -61.320 393 HD13 LEU 82 HD13 LEU 82 1.534 -3.293 -59.987 394 HD21 LEU 82 HD21 LEU 82 0.282 -2.549 -62.200 395 HD22 LEU 82 HD22 LEU 82 1.401 -3.088 -63.454 396 HD23 LEU 82 HD23 LEU 82 1.135 -1.364 -63.190 397 H LEU 83 H LEU 83 2.998 1.258 -59.304 398 HA LEU 83 HA LEU 83 0.759 2.960 -59.460 399 HB2 LEU 83 HB2 LEU 83 3.154 2.978 -57.637 400 HB3 LEU 83 HB3 LEU 83 1.765 4.043 -57.432 401 HG LEU 83 HG LEU 83 1.505 1.047 -57.428 402 HD11 LEU 83 HD11 LEU 83 2.265 2.904 -55.206 403 HD12 LEU 83 HD12 LEU 83 2.956 1.340 -55.639 404 HD13 LEU 83 HD13 LEU 83 1.363 1.423 -54.886 405 HD21 LEU 83 HD21 LEU 83 -0.277 3.326 -57.124 406 HD22 LEU 83 HD22 LEU 83 -0.396 2.180 -55.789 407 HD23 LEU 83 HD23 LEU 83 -0.648 1.632 -57.447 408 H GLN 84 H GLN 84 4.201 3.509 -60.019 409 HA GLN 84 HA GLN 84 4.100 6.305 -60.278 410 HB2 GLN 84 HB2 GLN 84 5.993 4.165 -61.118 411 HB3 GLN 84 HB3 GLN 84 6.170 5.752 -61.855 412 HG2 GLN 84 HG2 GLN 84 6.205 6.681 -59.497 413 HG3 GLN 84 HG3 GLN 84 6.392 5.014 -58.957 414 HE21 GLN 84 HE21 GLN 84 8.249 3.831 -59.738 415 HE22 GLN 84 HE22 GLN 84 9.708 4.681 -60.100 416 H GLU 85 H GLU 85 3.640 3.706 -62.623 417 HA GLU 85 HA GLU 85 3.375 5.503 -64.850 418 HB2 GLU 85 HB2 GLU 85 3.189 2.567 -64.425 419 HB3 GLU 85 HB3 GLU 85 2.341 3.231 -65.815 420 HG2 GLU 85 HG2 GLU 85 5.205 3.921 -65.325 421 HG3 GLU 85 HG3 GLU 85 4.767 2.393 -66.085 422 H ARG 86 H ARG 86 1.221 3.887 -62.612 423 HA ARG 86 HA ARG 86 -1.195 4.220 -63.987 424 HB2 ARG 86 HB2 ARG 86 -0.468 3.916 -61.096 425 HB3 ARG 86 HB3 ARG 86 -2.129 4.283 -61.542 426 HG2 ARG 86 HG2 ARG 86 -0.614 1.955 -62.687 427 HG3 ARG 86 HG3 ARG 86 -1.569 1.849 -61.207 428 HD2 ARG 86 HD2 ARG 86 -3.173 1.222 -62.686 429 HD3 ARG 86 HD3 ARG 86 -3.398 2.968 -62.782 430 HE ARG 86 HE ARG 86 -2.723 2.872 -64.955 431 HH11 ARG 86 HH11 ARG 86 -1.547 0.041 -63.306 432 HH12 ARG 86 HH12 ARG 86 -0.900 -0.686 -64.739 433 HH21 ARG 86 HH21 ARG 86 -1.875 1.926 -66.849 434 HH22 ARG 86 HH22 ARG 86 -1.086 0.389 -66.754 435 H GLU 87 H GLU 87 0.434 6.338 -61.648 436 HA GLU 87 HA GLU 87 -1.559 8.344 -61.641 437 HB2 GLU 87 HB2 GLU 87 1.337 8.288 -60.842 438 HB3 GLU 87 HB3 GLU 87 0.419 9.787 -60.801 439 HG2 GLU 87 HG2 GLU 87 -1.019 8.998 -59.137 440 HG3 GLU 87 HG3 GLU 87 -0.544 7.321 -59.400 441 H LEU 88 H LEU 88 -2.170 9.154 -63.573 442 HA LEU 88 HA LEU 88 -0.308 9.742 -65.669 443 HB2 LEU 88 HB2 LEU 88 -2.695 9.063 -66.001 444 HB3 LEU 88 HB3 LEU 88 -3.168 10.655 -65.413 445 HG LEU 88 HG LEU 88 -1.796 11.601 -67.338 446 HD11 LEU 88 HD11 LEU 88 -2.103 8.828 -68.458 447 HD12 LEU 88 HD12 LEU 88 -0.605 9.417 -67.739 448 HD13 LEU 88 HD13 LEU 88 -1.265 10.206 -69.172 449 HD21 LEU 88 HD21 LEU 88 -4.151 9.926 -68.176 450 HD22 LEU 88 HD22 LEU 88 -3.627 11.479 -68.829 451 HD23 LEU 88 HD23 LEU 88 -4.312 11.390 -67.205 452 H VAL 89 H VAL 89 -2.599 11.905 -63.994 453 HA VAL 89 HA VAL 89 -1.325 14.282 -64.749 454 HB VAL 89 HB VAL 89 -3.047 13.790 -62.315 455 HG11 VAL 89 HG11 VAL 89 -3.301 16.416 -63.374 456 HG12 VAL 89 HG12 VAL 89 -2.730 15.920 -61.780 457 HG13 VAL 89 HG13 VAL 89 -1.589 16.084 -63.115 458 HG21 VAL 89 HG21 VAL 89 -4.468 13.238 -64.024 459 HG22 VAL 89 HG22 VAL 89 -4.716 14.984 -63.971 460 HG23 VAL 89 HG23 VAL 89 -3.651 14.281 -65.188 461 H GLU 90 H GLU 90 -1.050 12.361 -61.776 462 HA GLU 90 HA GLU 90 0.935 14.132 -60.661 463 HB2 GLU 90 HB2 GLU 90 -0.828 12.590 -59.450 464 HB3 GLU 90 HB3 GLU 90 0.443 11.384 -59.594 465 HG2 GLU 90 HG2 GLU 90 0.866 12.267 -57.522 466 HG3 GLU 90 HG3 GLU 90 1.946 13.217 -58.541 467 H GLY 91 H GLY 91 3.072 14.009 -60.914 468 HA2 GLY 91 HA2 GLY 91 4.766 11.925 -60.940 469 HA3 GLY 91 HA3 GLY 91 4.165 11.910 -62.592 470 H GLY 92 H GLY 92 4.835 14.717 -60.535 471 HA2 GLY 92 HA2 GLY 92 7.237 15.328 -62.068 472 HA3 GLY 92 HA3 GLY 92 5.892 16.443 -62.262 Start of MODEL 8 1 H1 GLY 39 H GLY 39 6.566 5.464 -16.053 2 HA2 GLY 39 HA2 GLY 39 8.496 3.585 -14.849 3 HA3 GLY 39 HA3 GLY 39 6.957 4.037 -14.130 4 H SER 40 H SER 40 5.641 3.818 -16.814 5 HA SER 40 HA SER 40 4.343 2.265 -17.862 6 HB2 SER 40 HB2 SER 40 5.508 0.657 -19.074 7 HB3 SER 40 HB3 SER 40 6.786 1.813 -18.696 8 HG SER 40 HG SER 40 6.434 -0.777 -17.832 9 H CYS 41 H CYS 41 4.300 2.270 -14.965 10 HA CYS 41 HA CYS 41 3.877 -0.561 -14.330 11 HB2 CYS 41 HB2 CYS 41 3.840 0.131 -11.993 12 HB3 CYS 41 HB3 CYS 41 5.288 0.744 -12.783 13 HG CYS 41 HG CYS 41 4.540 3.348 -12.872 14 H LYS 42 H LYS 42 2.218 2.448 -14.798 15 HA LYS 42 HA LYS 42 -0.333 1.087 -14.237 16 HB2 LYS 42 HB2 LYS 42 -1.223 3.359 -13.606 17 HB3 LYS 42 HB3 LYS 42 -0.058 2.673 -12.481 18 HG2 LYS 42 HG2 LYS 42 1.703 4.054 -13.613 19 HG3 LYS 42 HG3 LYS 42 0.402 4.854 -14.498 20 HD2 LYS 42 HD2 LYS 42 0.572 4.717 -11.490 21 HD3 LYS 42 HD3 LYS 42 1.154 6.075 -12.455 22 HE2 LYS 42 HE2 LYS 42 -1.676 5.060 -12.588 23 HE3 LYS 42 HE3 LYS 42 -1.161 6.318 -11.466 24 HZ1 LYS 42 HZ1 LYS 42 -2.124 6.926 -13.795 25 HZ2 LYS 42 HZ2 LYS 42 -0.542 6.631 -14.316 26 HZ3 LYS 42 HZ3 LYS 42 -0.840 7.814 -13.144 27 H ILE 43 H ILE 43 -1.319 0.739 -16.112 28 HA ILE 43 HA ILE 43 -0.875 2.532 -18.363 29 HB ILE 43 HB ILE 43 -2.444 -0.045 -18.217 30 HG12 ILE 43 HG12 ILE 43 -0.016 -0.327 -17.847 31 HG13 ILE 43 HG13 ILE 43 -0.540 -1.047 -19.365 32 HG21 ILE 43 HG21 ILE 43 -3.202 1.512 -19.983 33 HG22 ILE 43 HG22 ILE 43 -1.565 1.519 -20.639 34 HG23 ILE 43 HG23 ILE 43 -2.504 0.025 -20.626 35 HD11 ILE 43 HD11 ILE 43 0.936 0.160 -20.477 36 HD12 ILE 43 HD12 ILE 43 0.256 1.653 -19.829 37 HD13 ILE 43 HD13 ILE 43 1.524 0.805 -18.944 38 HA PRO 44 HA PRO 44 -4.615 4.781 -17.653 39 HB2 PRO 44 HB2 PRO 44 -4.777 5.974 -20.087 40 HB3 PRO 44 HB3 PRO 44 -3.626 6.479 -18.844 41 HG2 PRO 44 HG2 PRO 44 -3.188 4.727 -21.232 42 HG3 PRO 44 HG3 PRO 44 -2.162 6.024 -20.592 43 HD2 PRO 44 HD2 PRO 44 -1.655 3.404 -20.132 44 HD3 PRO 44 HD3 PRO 44 -1.259 4.675 -18.957 45 H SER 45 H SER 45 -6.532 5.375 -19.449 46 HA SER 45 HA SER 45 -7.544 2.732 -20.271 47 HB2 SER 45 HB2 SER 45 -9.689 3.332 -19.604 48 HB3 SER 45 HB3 SER 45 -8.703 4.142 -18.387 49 HG SER 45 HG SER 45 -9.842 5.807 -19.033 50 H ILE 46 H ILE 46 -7.191 6.106 -21.166 51 HA ILE 46 HA ILE 46 -8.629 5.932 -23.616 52 HB ILE 46 HB ILE 46 -6.504 7.919 -22.801 53 HG12 ILE 46 HG12 ILE 46 -9.504 8.251 -22.699 54 HG13 ILE 46 HG13 ILE 46 -8.554 7.722 -21.315 55 HG21 ILE 46 HG21 ILE 46 -8.464 7.846 -25.073 56 HG22 ILE 46 HG22 ILE 46 -7.770 9.357 -24.487 57 HG23 ILE 46 HG23 ILE 46 -6.719 8.095 -25.128 58 HD11 ILE 46 HD11 ILE 46 -8.174 9.832 -20.797 59 HD12 ILE 46 HD12 ILE 46 -7.338 10.058 -22.334 60 HD13 ILE 46 HD13 ILE 46 -9.072 10.359 -22.220 61 H ALA 47 H ALA 47 -5.653 4.704 -22.664 62 HA ALA 47 HA ALA 47 -4.583 4.727 -25.399 63 HB1 ALA 47 HB1 ALA 47 -3.101 3.756 -22.978 64 HB2 ALA 47 HB2 ALA 47 -2.455 4.333 -24.515 65 HB3 ALA 47 HB3 ALA 47 -3.190 5.470 -23.384 66 H THR 48 H THR 48 -6.370 2.805 -23.347 67 HA THR 48 HA THR 48 -5.311 0.238 -23.795 68 HB THR 48 HB THR 48 -7.527 -0.617 -23.162 69 HG1 THR 48 HG1 THR 48 -8.252 2.104 -23.512 70 HG21 THR 48 HG21 THR 48 -6.182 1.523 -21.592 71 HG22 THR 48 HG22 THR 48 -6.377 -0.191 -21.228 72 HG23 THR 48 HG23 THR 48 -7.731 0.917 -21.009 73 H GLY 49 H GLY 49 -8.055 1.870 -25.400 74 HA2 GLY 49 HA2 GLY 49 -8.683 -0.035 -27.280 75 HA3 GLY 49 HA3 GLY 49 -8.843 1.693 -27.553 76 H MET 50 H MET 50 -6.148 2.434 -27.503 77 HA MET 50 HA MET 50 -5.390 1.905 -30.155 78 HB2 MET 50 HB2 MET 50 -4.045 3.183 -27.806 79 HB3 MET 50 HB3 MET 50 -3.110 2.847 -29.256 80 HG2 MET 50 HG2 MET 50 -5.697 4.301 -29.497 81 HG3 MET 50 HG3 MET 50 -4.271 5.157 -28.916 82 HE1 MET 50 HE1 MET 50 -5.458 2.919 -32.249 83 HE2 MET 50 HE2 MET 50 -6.392 4.243 -31.552 84 HE3 MET 50 HE3 MET 50 -5.528 4.477 -33.073 85 H VAL 51 H VAL 51 -4.124 0.649 -27.081 86 HA VAL 51 HA VAL 51 -2.059 -0.919 -28.085 87 HB VAL 51 HB VAL 51 -3.801 -1.620 -25.719 88 HG11 VAL 51 HG11 VAL 51 -2.295 -3.187 -25.171 89 HG12 VAL 51 HG12 VAL 51 -1.804 -3.088 -26.863 90 HG13 VAL 51 HG13 VAL 51 -0.929 -2.174 -25.634 91 HG21 VAL 51 HG21 VAL 51 -1.389 -0.356 -24.935 92 HG22 VAL 51 HG22 VAL 51 -2.165 0.669 -26.143 93 HG23 VAL 51 HG23 VAL 51 -3.045 0.197 -24.690 94 H GLY 52 H GLY 52 -5.354 -2.008 -27.227 95 HA2 GLY 52 HA2 GLY 52 -5.193 -4.614 -28.099 96 HA3 GLY 52 HA3 GLY 52 -6.668 -3.659 -28.140 97 H ALA 53 H ALA 53 -5.983 -1.751 -30.042 98 HA ALA 53 HA ALA 53 -6.428 -3.222 -32.441 99 HB1 ALA 53 HB1 ALA 53 -7.494 -1.152 -32.377 100 HB2 ALA 53 HB2 ALA 53 -6.043 -0.315 -31.823 101 HB3 ALA 53 HB3 ALA 53 -6.147 -0.891 -33.486 102 H LEU 54 H LEU 54 -3.642 -1.658 -30.986 103 HA LEU 54 HA LEU 54 -1.933 -1.615 -33.196 104 HB2 LEU 54 HB2 LEU 54 -1.587 -1.618 -30.251 105 HB3 LEU 54 HB3 LEU 54 -0.172 -1.994 -31.232 106 HG LEU 54 HG LEU 54 -1.777 0.490 -31.732 107 HD11 LEU 54 HD11 LEU 54 -1.288 1.118 -29.631 108 HD12 LEU 54 HD12 LEU 54 0.324 1.392 -30.290 109 HD13 LEU 54 HD13 LEU 54 -0.037 -0.110 -29.440 110 HD21 LEU 54 HD21 LEU 54 0.335 -0.681 -33.040 111 HD22 LEU 54 HD22 LEU 54 1.123 0.520 -32.017 112 HD23 LEU 54 HD23 LEU 54 -0.135 1.015 -33.151 113 H LEU 55 H LEU 55 -2.366 -4.121 -30.710 114 HA LEU 55 HA LEU 55 -0.487 -5.922 -31.832 115 HB2 LEU 55 HB2 LEU 55 -2.820 -6.799 -30.176 116 HB3 LEU 55 HB3 LEU 55 -1.183 -7.451 -30.221 117 HG LEU 55 HG LEU 55 -2.163 -4.962 -28.849 118 HD11 LEU 55 HD11 LEU 55 -2.355 -6.557 -27.265 119 HD12 LEU 55 HD12 LEU 55 -0.623 -6.278 -27.088 120 HD13 LEU 55 HD13 LEU 55 -1.202 -7.635 -28.053 121 HD21 LEU 55 HD21 LEU 55 0.465 -5.508 -29.996 122 HD22 LEU 55 HD22 LEU 55 0.510 -5.133 -28.273 123 HD23 LEU 55 HD23 LEU 55 -0.225 -3.996 -29.405 124 H LEU 56 H LEU 56 -4.037 -5.769 -31.976 125 HA LEU 56 HA LEU 56 -4.550 -8.024 -33.470 126 HB2 LEU 56 HB2 LEU 56 -6.093 -6.120 -32.481 127 HB3 LEU 56 HB3 LEU 56 -6.030 -5.532 -34.141 128 HG LEU 56 HG LEU 56 -6.811 -7.898 -34.788 129 HD11 LEU 56 HD11 LEU 56 -6.990 -7.971 -31.843 130 HD12 LEU 56 HD12 LEU 56 -6.755 -9.278 -33.003 131 HD13 LEU 56 HD13 LEU 56 -8.368 -8.620 -32.732 132 HD21 LEU 56 HD21 LEU 56 -8.204 -5.931 -35.022 133 HD22 LEU 56 HD22 LEU 56 -8.627 -5.995 -33.311 134 HD23 LEU 56 HD23 LEU 56 -9.161 -7.276 -34.401 135 H LEU 57 H LEU 57 -4.120 -4.737 -34.793 136 HA LEU 57 HA LEU 57 -4.119 -5.426 -37.481 137 HB2 LEU 57 HB2 LEU 57 -2.649 -3.207 -36.069 138 HB3 LEU 57 HB3 LEU 57 -2.820 -3.326 -37.819 139 HG LEU 57 HG LEU 57 -5.026 -2.894 -35.809 140 HD11 LEU 57 HD11 LEU 57 -3.290 -1.083 -36.936 141 HD12 LEU 57 HD12 LEU 57 -4.878 -0.717 -36.261 142 HD13 LEU 57 HD13 LEU 57 -4.700 -1.001 -37.992 143 HD21 LEU 57 HD21 LEU 57 -5.993 -2.477 -38.388 144 HD22 LEU 57 HD22 LEU 57 -6.400 -3.805 -37.301 145 HD23 LEU 57 HD23 LEU 57 -5.097 -3.993 -38.476 146 H LEU 58 H LEU 58 -1.402 -5.251 -35.212 147 HA LEU 58 HA LEU 58 0.689 -5.722 -36.971 148 HB2 LEU 58 HB2 LEU 58 0.231 -6.192 -34.079 149 HB3 LEU 58 HB3 LEU 58 1.608 -7.003 -34.823 150 HG LEU 58 HG LEU 58 1.149 -4.022 -34.863 151 HD11 LEU 58 HD11 LEU 58 1.554 -4.881 -32.590 152 HD12 LEU 58 HD12 LEU 58 2.877 -3.878 -33.182 153 HD13 LEU 58 HD13 LEU 58 3.044 -5.633 -33.160 154 HD21 LEU 58 HD21 LEU 58 3.742 -4.307 -35.345 155 HD22 LEU 58 HD22 LEU 58 2.542 -4.329 -36.637 156 HD23 LEU 58 HD23 LEU 58 3.191 -5.845 -36.009 157 H VAL 59 H VAL 59 -1.223 -8.105 -35.142 158 HA VAL 59 HA VAL 59 0.057 -10.377 -36.235 159 HB VAL 59 HB VAL 59 -2.760 -10.269 -35.156 160 HG11 VAL 59 HG11 VAL 59 -1.070 -12.592 -34.607 161 HG12 VAL 59 HG12 VAL 59 -2.742 -12.509 -35.168 162 HG13 VAL 59 HG13 VAL 59 -1.415 -12.344 -36.319 163 HG21 VAL 59 HG21 VAL 59 -1.097 -11.174 -33.133 164 HG22 VAL 59 HG22 VAL 59 -0.228 -9.803 -33.822 165 HG23 VAL 59 HG23 VAL 59 -1.874 -9.593 -33.224 166 H VAL 60 H VAL 60 -3.006 -8.762 -37.043 167 HA VAL 60 HA VAL 60 -3.875 -10.462 -39.055 168 HB VAL 60 HB VAL 60 -4.212 -7.462 -38.921 169 HG11 VAL 60 HG11 VAL 60 -4.781 -8.108 -41.114 170 HG12 VAL 60 HG12 VAL 60 -5.584 -9.578 -40.558 171 HG13 VAL 60 HG13 VAL 60 -6.310 -8.001 -40.244 172 HG21 VAL 60 HG21 VAL 60 -6.529 -8.992 -38.200 173 HG22 VAL 60 HG22 VAL 60 -5.155 -9.474 -37.204 174 HG23 VAL 60 HG23 VAL 60 -5.653 -7.783 -37.260 175 H ALA 61 H ALA 61 -2.034 -7.433 -39.474 176 HA ALA 61 HA ALA 61 -1.594 -7.731 -42.228 177 HB1 ALA 61 HB1 ALA 61 -0.262 -6.131 -40.081 178 HB2 ALA 61 HB2 ALA 61 0.402 -6.161 -41.715 179 HB3 ALA 61 HB3 ALA 61 -1.242 -5.583 -41.441 180 H LEU 62 H LEU 62 0.155 -8.943 -39.440 181 HA LEU 62 HA LEU 62 2.512 -9.729 -40.779 182 HB2 LEU 62 HB2 LEU 62 1.218 -10.356 -38.186 183 HB3 LEU 62 HB3 LEU 62 2.461 -11.464 -38.761 184 HG LEU 62 HG LEU 62 2.902 -8.503 -38.413 185 HD11 LEU 62 HD11 LEU 62 4.198 -9.259 -36.371 186 HD12 LEU 62 HD12 LEU 62 3.320 -10.783 -36.500 187 HD13 LEU 62 HD13 LEU 62 2.439 -9.278 -36.238 188 HD21 LEU 62 HD21 LEU 62 4.400 -10.585 -39.634 189 HD22 LEU 62 HD22 LEU 62 5.242 -10.088 -38.166 190 HD23 LEU 62 HD23 LEU 62 4.847 -8.895 -39.404 191 H GLY 63 H GLY 63 -0.195 -11.761 -39.630 192 HA2 GLY 63 HA2 GLY 63 0.545 -14.137 -40.820 193 HA3 GLY 63 HA3 GLY 63 -1.121 -13.666 -40.520 194 H ILE 64 H ILE 64 -1.451 -11.561 -42.243 195 HA ILE 64 HA ILE 64 -1.870 -12.899 -44.704 196 HB ILE 64 HB ILE 64 -1.983 -9.936 -44.131 197 HG12 ILE 64 HG12 ILE 64 -4.235 -11.953 -44.188 198 HG13 ILE 64 HG13 ILE 64 -3.468 -11.377 -42.712 199 HG21 ILE 64 HG21 ILE 64 -2.243 -11.417 -46.560 200 HG22 ILE 64 HG22 ILE 64 -3.798 -10.696 -46.147 201 HG23 ILE 64 HG23 ILE 64 -2.367 -9.677 -46.301 202 HD11 ILE 64 HD11 ILE 64 -4.110 -9.029 -43.622 203 HD12 ILE 64 HD12 ILE 64 -5.265 -9.937 -44.598 204 HD13 ILE 64 HD13 ILE 64 -5.324 -10.039 -42.839 205 H GLY 65 H GLY 65 0.429 -10.378 -43.704 206 HA2 GLY 65 HA2 GLY 65 1.667 -9.983 -46.181 207 HA3 GLY 65 HA3 GLY 65 2.421 -9.699 -44.619 208 H LEU 66 H LEU 66 2.488 -12.262 -43.584 209 HA LEU 66 HA LEU 66 4.770 -13.317 -44.906 210 HB2 LEU 66 HB2 LEU 66 3.063 -14.550 -42.748 211 HB3 LEU 66 HB3 LEU 66 4.669 -15.093 -43.229 212 HG LEU 66 HG LEU 66 4.149 -12.351 -42.103 213 HD11 LEU 66 HD11 LEU 66 3.506 -13.595 -40.288 214 HD12 LEU 66 HD12 LEU 66 5.248 -13.511 -40.029 215 HD13 LEU 66 HD13 LEU 66 4.530 -14.964 -40.723 216 HD21 LEU 66 HD21 LEU 66 6.497 -13.896 -42.977 217 HD22 LEU 66 HD22 LEU 66 6.677 -13.040 -41.446 218 HD23 LEU 66 HD23 LEU 66 6.243 -12.152 -42.907 219 H PHE 67 H PHE 67 1.363 -14.044 -44.990 220 HA PHE 67 HA PHE 67 1.640 -16.598 -46.254 221 HB2 PHE 67 HB2 PHE 67 -0.365 -15.693 -44.896 222 HB3 PHE 67 HB3 PHE 67 -0.829 -14.884 -46.389 223 HD1 PHE 67 HD2 PHE 67 0.000 -18.234 -45.011 224 HD2 PHE 67 HD1 PHE 67 -2.085 -16.006 -47.978 225 HE1 PHE 67 HE2 PHE 67 -1.101 -20.295 -45.780 226 HE2 PHE 67 HE1 PHE 67 -3.191 -18.064 -48.751 227 HZ PHE 67 HZ PHE 67 -2.698 -20.212 -47.653 228 H MET 68 H MET 68 1.001 -13.301 -47.361 229 HA MET 68 HA MET 68 0.588 -13.995 -50.085 230 HB2 MET 68 HB2 MET 68 1.438 -11.349 -48.895 231 HB3 MET 68 HB3 MET 68 0.813 -11.593 -50.521 232 HG2 MET 68 HG2 MET 68 -0.836 -12.472 -48.209 233 HG3 MET 68 HG3 MET 68 -0.728 -10.752 -48.576 234 HE1 MET 68 HE1 MET 68 -2.922 -14.038 -49.808 235 HE2 MET 68 HE2 MET 68 -2.895 -12.989 -48.391 236 HE3 MET 68 HE3 MET 68 -4.064 -12.700 -49.680 237 H ARG 69 H ARG 69 3.343 -14.003 -48.184 238 HA ARG 69 HA ARG 69 5.368 -12.983 -49.747 239 HB2 ARG 69 HB2 ARG 69 5.285 -15.358 -47.900 240 HB3 ARG 69 HB3 ARG 69 6.767 -14.883 -48.719 241 HG2 ARG 69 HG2 ARG 69 6.646 -12.682 -47.665 242 HG3 ARG 69 HG3 ARG 69 5.160 -13.161 -46.843 243 HD2 ARG 69 HD2 ARG 69 6.252 -14.604 -45.421 244 HD3 ARG 69 HD3 ARG 69 7.598 -14.848 -46.534 245 HE ARG 69 HE ARG 69 7.408 -12.176 -45.476 246 HH11 ARG 69 HH11 ARG 69 8.685 -15.379 -45.001 247 HH12 ARG 69 HH12 ARG 69 9.977 -14.853 -43.974 248 HH21 ARG 69 HH21 ARG 69 9.105 -11.470 -44.125 249 HH22 ARG 69 HH22 ARG 69 10.215 -12.629 -43.476 250 H ARG 70 H ARG 70 3.502 -15.883 -50.211 251 HA ARG 70 HA ARG 70 5.219 -17.213 -52.011 252 HB2 ARG 70 HB2 ARG 70 2.203 -17.359 -51.994 253 HB3 ARG 70 HB3 ARG 70 3.330 -18.581 -52.567 254 HG2 ARG 70 HG2 ARG 70 4.185 -18.651 -50.154 255 HG3 ARG 70 HG3 ARG 70 2.703 -17.783 -49.750 256 HD2 ARG 70 HD2 ARG 70 2.827 -20.420 -51.209 257 HD3 ARG 70 HD3 ARG 70 2.492 -20.231 -49.489 258 HE ARG 70 HE ARG 70 0.686 -18.668 -50.981 259 HH11 ARG 70 HH11 ARG 70 1.413 -21.989 -50.232 260 HH12 ARG 70 HH12 ARG 70 -0.221 -22.528 -50.434 261 HH21 ARG 70 HH21 ARG 70 -1.469 -19.366 -51.250 262 HH22 ARG 70 HH22 ARG 70 -1.859 -21.035 -51.014 263 H ARG 71 H ARG 71 2.686 -14.801 -52.471 264 HA ARG 71 HA ARG 71 3.028 -14.860 -55.358 265 HB2 ARG 71 HB2 ARG 71 1.100 -13.619 -53.464 266 HB3 ARG 71 HB3 ARG 71 1.350 -12.810 -55.005 267 HG2 ARG 71 HG2 ARG 71 0.602 -14.690 -56.223 268 HG3 ARG 71 HG3 ARG 71 0.663 -15.726 -54.796 269 HD2 ARG 71 HD2 ARG 71 -1.597 -15.268 -54.980 270 HD3 ARG 71 HD3 ARG 71 -1.059 -14.057 -53.817 271 HE ARG 71 HE ARG 71 -0.845 -12.767 -56.180 272 HH11 ARG 71 HH11 ARG 71 -3.418 -14.561 -54.670 273 HH12 ARG 71 HH12 ARG 71 -4.678 -13.637 -55.419 274 HH21 ARG 71 HH21 ARG 71 -2.495 -11.544 -57.172 275 HH22 ARG 71 HH22 ARG 71 -4.152 -11.922 -56.843 276 H HIS 72 H HIS 72 3.953 -12.935 -52.607 277 HA HIS 72 HA HIS 72 4.682 -10.575 -53.974 278 HB2 HIS 72 HB2 HIS 72 5.231 -11.751 -51.300 279 HB3 HIS 72 HB3 HIS 72 6.324 -10.487 -51.857 280 HD1 HIS 72 HD1 HIS 72 3.632 -10.708 -49.739 281 HD2 HIS 72 HD2 HIS 72 4.374 -8.285 -53.030 282 HE1 HIS 72 HE1 HIS 72 2.127 -8.713 -49.457 283 H ILE 73 H ILE 73 6.056 -13.663 -53.971 284 HA ILE 73 HA ILE 73 8.774 -13.286 -54.096 285 HB ILE 73 HB ILE 73 7.151 -15.139 -55.845 286 HG12 ILE 73 HG12 ILE 73 6.658 -15.546 -53.519 287 HG13 ILE 73 HG13 ILE 73 7.729 -16.823 -54.087 288 HG21 ILE 73 HG21 ILE 73 10.074 -15.151 -55.111 289 HG22 ILE 73 HG22 ILE 73 9.236 -16.482 -55.909 290 HG23 ILE 73 HG23 ILE 73 9.380 -14.921 -56.716 291 HD11 ILE 73 HD11 ILE 73 8.355 -16.070 -51.870 292 HD12 ILE 73 HD12 ILE 73 9.622 -15.697 -53.039 293 HD13 ILE 73 HD13 ILE 73 8.545 -14.422 -52.468 294 H VAL 74 H VAL 74 6.357 -12.429 -56.457 295 HA VAL 74 HA VAL 74 8.027 -12.091 -58.699 296 HB VAL 74 HB VAL 74 5.566 -10.447 -58.127 297 HG11 VAL 74 HG11 VAL 74 6.594 -9.657 -60.074 298 HG12 VAL 74 HG12 VAL 74 7.039 -11.280 -60.606 299 HG13 VAL 74 HG13 VAL 74 5.353 -10.764 -60.660 300 HG21 VAL 74 HG21 VAL 74 5.812 -13.315 -58.426 301 HG22 VAL 74 HG22 VAL 74 4.405 -12.344 -57.989 302 HG23 VAL 74 HG23 VAL 74 4.798 -12.612 -59.687 303 H ARG 75 H ARG 75 8.742 -10.094 -59.677 304 HA ARG 75 HA ARG 75 10.377 -8.545 -58.113 305 HB2 ARG 75 HB2 ARG 75 9.015 -7.730 -60.687 306 HB3 ARG 75 HB3 ARG 75 10.410 -6.925 -59.981 307 HG2 ARG 75 HG2 ARG 75 11.833 -8.699 -60.456 308 HG3 ARG 75 HG3 ARG 75 10.500 -9.839 -60.649 309 HD2 ARG 75 HD2 ARG 75 11.375 -9.344 -62.819 310 HD3 ARG 75 HD3 ARG 75 9.798 -8.569 -62.673 311 HE ARG 75 HE ARG 75 11.807 -6.749 -61.921 312 HH11 ARG 75 HH11 ARG 75 10.539 -8.354 -64.738 313 HH12 ARG 75 HH12 ARG 75 11.007 -7.092 -65.829 314 HH21 ARG 75 HH21 ARG 75 12.429 -5.081 -63.347 315 HH22 ARG 75 HH22 ARG 75 12.083 -5.231 -65.037 316 H LYS 76 H LYS 76 9.705 -7.517 -56.328 317 HA LYS 76 HA LYS 76 7.178 -6.344 -55.959 318 HB2 LYS 76 HB2 LYS 76 9.802 -5.853 -54.542 319 HB3 LYS 76 HB3 LYS 76 8.259 -5.204 -54.003 320 HG2 LYS 76 HG2 LYS 76 7.815 -7.079 -52.920 321 HG3 LYS 76 HG3 LYS 76 7.983 -8.012 -54.409 322 HD2 LYS 76 HD2 LYS 76 10.572 -7.608 -53.854 323 HD3 LYS 76 HD3 LYS 76 9.919 -7.560 -52.215 324 HE2 LYS 76 HE2 LYS 76 10.414 -9.807 -52.511 325 HE3 LYS 76 HE3 LYS 76 8.694 -9.731 -52.887 326 HZ1 LYS 76 HZ1 LYS 76 9.365 -10.862 -54.698 327 HZ2 LYS 76 HZ2 LYS 76 10.951 -10.278 -54.635 328 HZ3 LYS 76 HZ3 LYS 76 9.723 -9.319 -55.294 329 H ARG 77 H ARG 77 9.962 -5.234 -57.610 330 HA ARG 77 HA ARG 77 9.782 -2.473 -57.336 331 HB2 ARG 77 HB2 ARG 77 10.858 -4.320 -59.401 332 HB3 ARG 77 HB3 ARG 77 10.619 -2.643 -59.874 333 HG2 ARG 77 HG2 ARG 77 12.092 -1.876 -58.157 334 HG3 ARG 77 HG3 ARG 77 12.203 -3.495 -57.463 335 HD2 ARG 77 HD2 ARG 77 14.127 -3.505 -58.674 336 HD3 ARG 77 HD3 ARG 77 13.020 -4.071 -59.924 337 HE ARG 77 HE ARG 77 13.331 -2.098 -61.051 338 HH11 ARG 77 HH11 ARG 77 14.568 -1.786 -57.812 339 HH12 ARG 77 HH12 ARG 77 15.319 -0.253 -58.107 340 HH21 ARG 77 HH21 ARG 77 14.316 -0.080 -61.452 341 HH22 ARG 77 HH22 ARG 77 15.175 0.717 -60.177 342 H THR 78 H THR 78 7.904 -4.684 -59.300 343 HA THR 78 HA THR 78 6.712 -2.968 -61.103 344 HB THR 78 HB THR 78 6.377 -5.412 -61.122 345 HG1 THR 78 HG1 THR 78 3.987 -5.235 -61.479 346 HG21 THR 78 HG21 THR 78 5.706 -5.132 -58.479 347 HG22 THR 78 HG22 THR 78 5.411 -6.570 -59.456 348 HG23 THR 78 HG23 THR 78 4.135 -5.372 -59.242 349 H LEU 79 H LEU 79 6.060 -3.383 -57.691 350 HA LEU 79 HA LEU 79 3.599 -1.938 -57.674 351 HB2 LEU 79 HB2 LEU 79 5.492 -2.961 -55.618 352 HB3 LEU 79 HB3 LEU 79 4.310 -1.744 -55.142 353 HG LEU 79 HG LEU 79 3.578 -4.038 -54.634 354 HD11 LEU 79 HD11 LEU 79 1.805 -3.036 -56.821 355 HD12 LEU 79 HD12 LEU 79 2.045 -2.076 -55.361 356 HD13 LEU 79 HD13 LEU 79 1.377 -3.704 -55.246 357 HD21 LEU 79 HD21 LEU 79 4.746 -5.045 -56.632 358 HD22 LEU 79 HD22 LEU 79 3.398 -4.460 -57.608 359 HD23 LEU 79 HD23 LEU 79 3.112 -5.632 -56.320 360 H ARG 80 H ARG 80 6.959 -1.110 -56.890 361 HA ARG 80 HA ARG 80 6.458 1.546 -56.091 362 HB2 ARG 80 HB2 ARG 80 8.940 0.224 -57.190 363 HB3 ARG 80 HB3 ARG 80 8.908 1.877 -56.589 364 HG2 ARG 80 HG2 ARG 80 7.942 -0.343 -54.847 365 HG3 ARG 80 HG3 ARG 80 9.674 -0.066 -55.042 366 HD2 ARG 80 HD2 ARG 80 7.840 2.198 -54.357 367 HD3 ARG 80 HD3 ARG 80 8.407 1.098 -53.101 368 HE ARG 80 HE ARG 80 10.658 1.897 -54.470 369 HH11 ARG 80 HH11 ARG 80 8.116 3.440 -52.659 370 HH12 ARG 80 HH12 ARG 80 9.114 4.751 -52.126 371 HH21 ARG 80 HH21 ARG 80 11.982 3.619 -53.775 372 HH22 ARG 80 HH22 ARG 80 11.313 4.853 -52.761 373 H ARG 81 H ARG 81 7.133 0.093 -59.227 374 HA ARG 81 HA ARG 81 7.387 2.586 -60.606 375 HB2 ARG 81 HB2 ARG 81 7.129 -0.281 -61.451 376 HB3 ARG 81 HB3 ARG 81 6.987 1.006 -62.641 377 HG2 ARG 81 HG2 ARG 81 9.350 0.635 -60.813 378 HG3 ARG 81 HG3 ARG 81 9.259 0.036 -62.471 379 HD2 ARG 81 HD2 ARG 81 8.747 2.455 -63.123 380 HD3 ARG 81 HD3 ARG 81 9.300 2.879 -61.503 381 HE ARG 81 HE ARG 81 11.442 2.578 -62.220 382 HH11 ARG 81 HH11 ARG 81 9.302 0.879 -64.377 383 HH12 ARG 81 HH12 ARG 81 10.560 0.431 -65.481 384 HH21 ARG 81 HH21 ARG 81 13.106 1.995 -63.666 385 HH22 ARG 81 HH22 ARG 81 12.723 1.066 -65.076 386 H LEU 82 H LEU 82 4.839 0.096 -60.506 387 HA LEU 82 HA LEU 82 2.982 1.454 -62.100 388 HB2 LEU 82 HB2 LEU 82 2.722 -0.647 -59.979 389 HB3 LEU 82 HB3 LEU 82 1.299 0.029 -60.769 390 HG LEU 82 HG LEU 82 3.506 -1.158 -62.406 391 HD11 LEU 82 HD11 LEU 82 1.202 -2.807 -61.443 392 HD12 LEU 82 HD12 LEU 82 2.701 -2.721 -60.520 393 HD13 LEU 82 HD13 LEU 82 2.719 -3.328 -62.176 394 HD21 LEU 82 HD21 LEU 82 0.825 -1.688 -63.259 395 HD22 LEU 82 HD22 LEU 82 2.093 -0.770 -64.072 396 HD23 LEU 82 HD23 LEU 82 1.015 0.035 -62.930 397 H LEU 83 H LEU 83 3.871 1.860 -58.776 398 HA LEU 83 HA LEU 83 1.541 3.222 -57.902 399 HB2 LEU 83 HB2 LEU 83 4.305 2.840 -56.898 400 HB3 LEU 83 HB3 LEU 83 3.381 4.188 -56.236 401 HG LEU 83 HG LEU 83 2.445 1.322 -56.191 402 HD11 LEU 83 HD11 LEU 83 3.452 2.775 -53.788 403 HD12 LEU 83 HD12 LEU 83 4.593 1.974 -54.868 404 HD13 LEU 83 HD13 LEU 83 3.319 1.041 -54.083 405 HD21 LEU 83 HD21 LEU 83 0.634 2.902 -56.053 406 HD22 LEU 83 HD22 LEU 83 1.484 3.828 -54.817 407 HD23 LEU 83 HD23 LEU 83 0.907 2.200 -54.458 408 H GLN 84 H GLN 84 4.731 4.396 -58.964 409 HA GLN 84 HA GLN 84 4.246 7.122 -58.733 410 HB2 GLN 84 HB2 GLN 84 6.102 5.449 -60.347 411 HB3 GLN 84 HB3 GLN 84 5.916 7.134 -60.816 412 HG2 GLN 84 HG2 GLN 84 7.743 7.126 -59.377 413 HG3 GLN 84 HG3 GLN 84 6.403 7.692 -58.381 414 HE21 GLN 84 HE21 GLN 84 8.900 5.469 -58.672 415 HE22 GLN 84 HE22 GLN 84 8.472 4.429 -57.360 416 H GLU 85 H GLU 85 3.156 4.850 -61.119 417 HA GLU 85 HA GLU 85 2.412 6.829 -63.065 418 HB2 GLU 85 HB2 GLU 85 2.151 3.881 -62.791 419 HB3 GLU 85 HB3 GLU 85 1.000 4.692 -63.844 420 HG2 GLU 85 HG2 GLU 85 2.843 5.650 -65.127 421 HG3 GLU 85 HG3 GLU 85 3.998 4.835 -64.073 422 H ARG 86 H ARG 86 0.710 4.880 -60.643 423 HA ARG 86 HA ARG 86 -1.891 5.750 -61.263 424 HB2 ARG 86 HB2 ARG 86 -0.594 4.484 -58.890 425 HB3 ARG 86 HB3 ARG 86 -2.208 5.158 -58.704 426 HG2 ARG 86 HG2 ARG 86 -2.680 3.742 -60.874 427 HG3 ARG 86 HG3 ARG 86 -1.297 2.817 -60.286 428 HD2 ARG 86 HD2 ARG 86 -2.438 2.586 -58.101 429 HD3 ARG 86 HD3 ARG 86 -3.839 3.414 -58.779 430 HE ARG 86 HE ARG 86 -3.092 1.157 -60.344 431 HH11 ARG 86 HH11 ARG 86 -4.739 2.109 -57.428 432 HH12 ARG 86 HH12 ARG 86 -5.767 0.715 -57.398 433 HH21 ARG 86 HH21 ARG 86 -4.439 -0.684 -60.315 434 HH22 ARG 86 HH22 ARG 86 -5.595 -0.874 -59.040 435 H GLU 87 H GLU 87 0.420 6.903 -58.814 436 HA GLU 87 HA GLU 87 -1.235 8.975 -57.834 437 HB2 GLU 87 HB2 GLU 87 1.732 8.478 -57.699 438 HB3 GLU 87 HB3 GLU 87 0.997 9.904 -56.981 439 HG2 GLU 87 HG2 GLU 87 -0.252 8.610 -55.452 440 HG3 GLU 87 HG3 GLU 87 0.120 7.114 -56.307 441 H LEU 88 H LEU 88 -1.437 11.091 -58.389 442 HA LEU 88 HA LEU 88 -0.299 11.865 -60.972 443 HB2 LEU 88 HB2 LEU 88 -2.758 11.991 -60.578 444 HB3 LEU 88 HB3 LEU 88 -2.451 13.235 -59.367 445 HG LEU 88 HG LEU 88 -1.333 14.536 -61.283 446 HD11 LEU 88 HD11 LEU 88 -1.312 12.543 -62.807 447 HD12 LEU 88 HD12 LEU 88 -1.994 14.012 -63.503 448 HD13 LEU 88 HD13 LEU 88 -3.061 12.721 -62.950 449 HD21 LEU 88 HD21 LEU 88 -3.334 15.368 -60.369 450 HD22 LEU 88 HD22 LEU 88 -4.289 14.047 -61.042 451 HD23 LEU 88 HD23 LEU 88 -3.617 15.282 -62.108 452 H VAL 89 H VAL 89 -0.689 13.109 -57.669 453 HA VAL 89 HA VAL 89 1.739 14.705 -58.055 454 HB VAL 89 HB VAL 89 -0.805 15.797 -56.844 455 HG11 VAL 89 HG11 VAL 89 0.557 17.943 -56.849 456 HG12 VAL 89 HG12 VAL 89 0.988 16.735 -55.637 457 HG13 VAL 89 HG13 VAL 89 1.973 16.920 -57.089 458 HG21 VAL 89 HG21 VAL 89 -1.043 15.779 -59.209 459 HG22 VAL 89 HG22 VAL 89 -0.627 17.430 -58.749 460 HG23 VAL 89 HG23 VAL 89 0.601 16.373 -59.444 461 H GLU 90 H GLU 90 3.079 13.782 -56.634 462 HA GLU 90 HA GLU 90 2.359 12.416 -54.311 463 HB2 GLU 90 HB2 GLU 90 4.901 13.619 -55.322 464 HB3 GLU 90 HB3 GLU 90 4.836 13.046 -53.661 465 HG2 GLU 90 HG2 GLU 90 4.562 10.844 -54.287 466 HG3 GLU 90 HG3 GLU 90 3.940 11.267 -55.881 467 H GLY 91 H GLY 91 2.545 12.968 -52.092 468 HA2 GLY 91 HA2 GLY 91 3.247 15.195 -50.803 469 HA3 GLY 91 HA3 GLY 91 1.752 15.718 -51.564 470 H GLY 92 H GLY 92 1.365 16.021 -49.128 471 HA2 GLY 92 HA2 GLY 92 -0.315 13.812 -48.282 472 HA3 GLY 92 HA3 GLY 92 1.042 14.160 -47.220 Start of MODEL 9 1 H1 GLY 39 H GLY 39 -0.446 -5.472 -3.480 2 HA2 GLY 39 HA2 GLY 39 0.992 -4.162 -5.697 3 HA3 GLY 39 HA3 GLY 39 0.556 -5.862 -5.795 4 H SER 40 H SER 40 -0.846 -2.631 -5.348 5 HA SER 40 HA SER 40 -3.434 -3.592 -6.272 6 HB2 SER 40 HB2 SER 40 -3.458 -2.059 -4.395 7 HB3 SER 40 HB3 SER 40 -2.525 -0.871 -5.306 8 HG SER 40 HG SER 40 -5.103 -1.007 -5.176 9 H CYS 41 H CYS 41 -4.275 -3.236 -8.244 10 HA CYS 41 HA CYS 41 -2.570 -2.404 -10.359 11 HB2 CYS 41 HB2 CYS 41 -5.556 -2.892 -10.355 12 HB3 CYS 41 HB3 CYS 41 -4.556 -2.720 -11.792 13 HG CYS 41 HG CYS 41 -5.410 -5.452 -10.609 14 H LYS 42 H LYS 42 -2.115 -0.403 -10.959 15 HA LYS 42 HA LYS 42 -4.181 1.667 -10.714 16 HB2 LYS 42 HB2 LYS 42 -1.306 1.917 -9.817 17 HB3 LYS 42 HB3 LYS 42 -2.408 3.277 -9.986 18 HG2 LYS 42 HG2 LYS 42 -3.835 2.407 -8.261 19 HG3 LYS 42 HG3 LYS 42 -2.874 0.930 -8.160 20 HD2 LYS 42 HD2 LYS 42 -1.081 2.018 -7.152 21 HD3 LYS 42 HD3 LYS 42 -1.603 3.607 -7.717 22 HE2 LYS 42 HE2 LYS 42 -3.403 2.111 -5.885 23 HE3 LYS 42 HE3 LYS 42 -1.941 2.824 -5.206 24 HZ1 LYS 42 HZ1 LYS 42 -3.396 4.608 -6.927 25 HZ2 LYS 42 HZ2 LYS 42 -2.782 4.867 -5.373 26 HZ3 LYS 42 HZ3 LYS 42 -4.285 4.118 -5.573 27 H ILE 43 H ILE 43 -4.074 0.713 -13.063 28 HA ILE 43 HA ILE 43 -2.123 2.275 -14.621 29 HB ILE 43 HB ILE 43 -3.704 -0.136 -15.520 30 HG12 ILE 43 HG12 ILE 43 -2.060 -0.793 -13.859 31 HG13 ILE 43 HG13 ILE 43 -1.512 -1.303 -15.452 32 HG21 ILE 43 HG21 ILE 43 -3.101 1.492 -17.293 33 HG22 ILE 43 HG22 ILE 43 -1.405 1.270 -16.869 34 HG23 ILE 43 HG23 ILE 43 -2.340 -0.086 -17.500 35 HD11 ILE 43 HD11 ILE 43 -0.448 1.258 -15.035 36 HD12 ILE 43 HD12 ILE 43 -0.204 0.358 -13.537 37 HD13 ILE 43 HD13 ILE 43 0.406 -0.284 -15.062 38 HA PRO 44 HA PRO 44 -5.481 4.814 -15.972 39 HB2 PRO 44 HB2 PRO 44 -4.209 6.008 -18.052 40 HB3 PRO 44 HB3 PRO 44 -3.891 6.425 -16.364 41 HG2 PRO 44 HG2 PRO 44 -2.341 4.636 -18.197 42 HG3 PRO 44 HG3 PRO 44 -1.745 5.851 -17.050 43 HD2 PRO 44 HD2 PRO 44 -1.750 3.201 -16.494 44 HD3 PRO 44 HD3 PRO 44 -1.974 4.439 -15.243 45 H SER 45 H SER 45 -6.342 5.479 -18.303 46 HA SER 45 HA SER 45 -6.814 2.947 -19.717 47 HB2 SER 45 HB2 SER 45 -8.916 3.704 -19.125 48 HB3 SER 45 HB3 SER 45 -8.459 5.402 -19.259 49 HG SER 45 HG SER 45 -9.636 5.093 -21.040 50 H ILE 46 H ILE 46 -5.769 6.260 -20.139 51 HA ILE 46 HA ILE 46 -5.812 6.459 -22.913 52 HB ILE 46 HB ILE 46 -3.792 7.652 -21.011 53 HG12 ILE 46 HG12 ILE 46 -5.868 9.385 -22.123 54 HG13 ILE 46 HG13 ILE 46 -6.522 8.084 -21.134 55 HG21 ILE 46 HG21 ILE 46 -4.479 8.334 -23.864 56 HG22 ILE 46 HG22 ILE 46 -3.513 9.358 -22.803 57 HG23 ILE 46 HG23 ILE 46 -2.933 7.752 -23.245 58 HD11 ILE 46 HD11 ILE 46 -6.176 9.513 -19.452 59 HD12 ILE 46 HD12 ILE 46 -4.501 8.971 -19.564 60 HD13 ILE 46 HD13 ILE 46 -5.001 10.461 -20.364 61 H ALA 47 H ALA 47 -3.820 4.543 -20.884 62 HA ALA 47 HA ALA 47 -1.814 4.141 -22.974 63 HB1 ALA 47 HB1 ALA 47 -1.886 3.817 -20.072 64 HB2 ALA 47 HB2 ALA 47 -1.092 2.489 -20.919 65 HB3 ALA 47 HB3 ALA 47 -0.525 4.143 -21.145 66 H THR 48 H THR 48 -4.503 2.557 -21.435 67 HA THR 48 HA THR 48 -3.956 -0.094 -22.225 68 HB THR 48 HB THR 48 -6.346 -0.529 -21.841 69 HG1 THR 48 HG1 THR 48 -7.758 1.054 -21.886 70 HG21 THR 48 HG21 THR 48 -5.767 -0.635 -19.694 71 HG22 THR 48 HG22 THR 48 -6.126 1.084 -19.525 72 HG23 THR 48 HG23 THR 48 -4.498 0.561 -19.958 73 H GLY 49 H GLY 49 -6.180 2.305 -23.664 74 HA2 GLY 49 HA2 GLY 49 -7.025 0.879 -25.858 75 HA3 GLY 49 HA3 GLY 49 -6.820 2.624 -25.849 76 H MET 50 H MET 50 -4.032 2.747 -25.540 77 HA MET 50 HA MET 50 -3.190 2.499 -28.210 78 HB2 MET 50 HB2 MET 50 -1.814 3.081 -25.618 79 HB3 MET 50 HB3 MET 50 -0.844 2.768 -27.051 80 HG2 MET 50 HG2 MET 50 -3.039 4.744 -27.282 81 HG3 MET 50 HG3 MET 50 -1.611 5.203 -26.357 82 HE1 MET 50 HE1 MET 50 -2.265 3.379 -30.061 83 HE2 MET 50 HE2 MET 50 -3.326 4.676 -29.512 84 HE3 MET 50 HE3 MET 50 -2.164 4.975 -30.805 85 H VAL 51 H VAL 51 -2.361 0.568 -25.336 86 HA VAL 51 HA VAL 51 -0.618 -1.233 -26.515 87 HB VAL 51 HB VAL 51 -2.617 -1.901 -24.352 88 HG11 VAL 51 HG11 VAL 51 -1.359 -3.788 -25.439 89 HG12 VAL 51 HG12 VAL 51 0.123 -3.060 -24.815 90 HG13 VAL 51 HG13 VAL 51 -1.121 -3.626 -23.699 91 HG21 VAL 51 HG21 VAL 51 -0.028 -1.317 -23.328 92 HG22 VAL 51 HG22 VAL 51 -0.543 0.030 -24.343 93 HG23 VAL 51 HG23 VAL 51 -1.554 -0.497 -22.998 94 H GLY 52 H GLY 52 -4.116 -1.721 -25.968 95 HA2 GLY 52 HA2 GLY 52 -4.426 -4.141 -27.243 96 HA3 GLY 52 HA3 GLY 52 -5.670 -2.900 -27.186 97 H ALA 53 H ALA 53 -4.510 -0.918 -28.729 98 HA ALA 53 HA ALA 53 -5.061 -1.882 -31.348 99 HB1 ALA 53 HB1 ALA 53 -5.681 0.328 -31.033 100 HB2 ALA 53 HB2 ALA 53 -4.166 0.745 -30.231 101 HB3 ALA 53 HB3 ALA 53 -4.195 0.474 -31.973 102 H LEU 54 H LEU 54 -2.118 -1.161 -29.566 103 HA LEU 54 HA LEU 54 -0.288 -1.164 -31.672 104 HB2 LEU 54 HB2 LEU 54 -0.157 -1.684 -28.756 105 HB3 LEU 54 HB3 LEU 54 1.216 -2.200 -29.732 106 HG LEU 54 HG LEU 54 0.214 0.609 -29.948 107 HD11 LEU 54 HD11 LEU 54 1.859 -0.553 -27.722 108 HD12 LEU 54 HD12 LEU 54 0.433 0.479 -27.616 109 HD13 LEU 54 HD13 LEU 54 1.965 1.147 -28.182 110 HD21 LEU 54 HD21 LEU 54 1.860 0.397 -31.487 111 HD22 LEU 54 HD22 LEU 54 2.638 -0.937 -30.637 112 HD23 LEU 54 HD23 LEU 54 2.883 0.721 -30.088 113 H LEU 55 H LEU 55 -1.385 -3.865 -29.633 114 HA LEU 55 HA LEU 55 0.152 -5.837 -30.966 115 HB2 LEU 55 HB2 LEU 55 -2.424 -6.425 -29.558 116 HB3 LEU 55 HB3 LEU 55 -0.965 -7.408 -29.656 117 HG LEU 55 HG LEU 55 -1.489 -5.009 -27.924 118 HD11 LEU 55 HD11 LEU 55 -0.382 -6.868 -26.349 119 HD12 LEU 55 HD12 LEU 55 -1.135 -7.917 -27.550 120 HD13 LEU 55 HD13 LEU 55 -2.117 -6.764 -26.647 121 HD21 LEU 55 HD21 LEU 55 1.039 -5.926 -29.063 122 HD22 LEU 55 HD22 LEU 55 1.047 -5.830 -27.302 123 HD23 LEU 55 HD23 LEU 55 0.639 -4.407 -28.261 124 H LEU 56 H LEU 56 -3.271 -4.905 -31.218 125 HA LEU 56 HA LEU 56 -4.129 -6.746 -33.077 126 HB2 LEU 56 HB2 LEU 56 -5.314 -4.727 -31.849 127 HB3 LEU 56 HB3 LEU 56 -5.015 -3.924 -33.389 128 HG LEU 56 HG LEU 56 -6.219 -5.935 -34.443 129 HD11 LEU 56 HD11 LEU 56 -8.018 -6.685 -32.656 130 HD12 LEU 56 HD12 LEU 56 -6.681 -6.386 -31.545 131 HD13 LEU 56 HD13 LEU 56 -6.492 -7.547 -32.859 132 HD21 LEU 56 HD21 LEU 56 -8.074 -4.325 -32.757 133 HD22 LEU 56 HD22 LEU 56 -8.173 -4.736 -34.469 134 HD23 LEU 56 HD23 LEU 56 -7.041 -3.497 -33.923 135 H LEU 57 H LEU 57 -2.944 -3.464 -33.830 136 HA LEU 57 HA LEU 57 -2.896 -3.711 -36.590 137 HB2 LEU 57 HB2 LEU 57 -1.090 -2.122 -34.777 138 HB3 LEU 57 HB3 LEU 57 -1.153 -1.929 -36.528 139 HG LEU 57 HG LEU 57 -3.358 -1.330 -34.559 140 HD11 LEU 57 HD11 LEU 57 -1.196 0.199 -35.312 141 HD12 LEU 57 HD12 LEU 57 -2.709 0.799 -34.633 142 HD13 LEU 57 HD13 LEU 57 -2.483 0.757 -36.382 143 HD21 LEU 57 HD21 LEU 57 -3.459 -1.952 -37.379 144 HD22 LEU 57 HD22 LEU 57 -4.034 -0.315 -37.058 145 HD23 LEU 57 HD23 LEU 57 -4.775 -1.688 -36.235 146 H LEU 58 H LEU 58 -0.370 -4.504 -34.235 147 HA LEU 58 HA LEU 58 1.687 -5.147 -35.983 148 HB2 LEU 58 HB2 LEU 58 0.952 -5.938 -33.222 149 HB3 LEU 58 HB3 LEU 58 2.169 -6.910 -34.045 150 HG LEU 58 HG LEU 58 2.454 -3.932 -33.863 151 HD11 LEU 58 HD11 LEU 58 2.440 -4.153 -31.627 152 HD12 LEU 58 HD12 LEU 58 4.054 -4.818 -31.875 153 HD13 LEU 58 HD13 LEU 58 2.674 -5.900 -31.691 154 HD21 LEU 58 HD21 LEU 58 4.776 -5.700 -33.658 155 HD22 LEU 58 HD22 LEU 58 4.512 -4.282 -34.674 156 HD23 LEU 58 HD23 LEU 58 3.885 -5.853 -35.173 157 H VAL 59 H VAL 59 -0.797 -7.304 -34.619 158 HA VAL 59 HA VAL 59 0.033 -9.606 -36.034 159 HB VAL 59 HB VAL 59 -2.755 -9.040 -35.024 160 HG11 VAL 59 HG11 VAL 59 -2.126 -11.068 -36.546 161 HG12 VAL 59 HG12 VAL 59 -1.436 -11.718 -35.058 162 HG13 VAL 59 HG13 VAL 59 -3.150 -11.306 -35.131 163 HG21 VAL 59 HG21 VAL 59 -0.272 -9.360 -33.572 164 HG22 VAL 59 HG22 VAL 59 -1.872 -8.910 -32.981 165 HG23 VAL 59 HG23 VAL 59 -1.441 -10.612 -33.149 166 H VAL 60 H VAL 60 -2.524 -7.221 -36.664 167 HA VAL 60 HA VAL 60 -3.641 -8.355 -38.933 168 HB VAL 60 HB VAL 60 -3.262 -5.416 -38.343 169 HG11 VAL 60 HG11 VAL 60 -4.877 -6.878 -40.398 170 HG12 VAL 60 HG12 VAL 60 -5.391 -5.301 -39.797 171 HG13 VAL 60 HG13 VAL 60 -3.829 -5.475 -40.597 172 HG21 VAL 60 HG21 VAL 60 -5.925 -6.390 -37.960 173 HG22 VAL 60 HG22 VAL 60 -4.799 -7.377 -37.027 174 HG23 VAL 60 HG23 VAL 60 -4.842 -5.629 -36.795 175 H ALA 61 H ALA 61 -1.107 -5.843 -38.838 176 HA ALA 61 HA ALA 61 -0.578 -5.874 -41.600 177 HB1 ALA 61 HB1 ALA 61 0.187 -3.977 -40.518 178 HB2 ALA 61 HB2 ALA 61 0.931 -4.898 -39.210 179 HB3 ALA 61 HB3 ALA 61 1.677 -4.876 -40.808 180 H LEU 62 H LEU 62 0.669 -7.793 -38.944 181 HA LEU 62 HA LEU 62 2.885 -8.917 -40.272 182 HB2 LEU 62 HB2 LEU 62 1.275 -9.579 -37.871 183 HB3 LEU 62 HB3 LEU 62 2.285 -10.855 -38.547 184 HG LEU 62 HG LEU 62 3.397 -8.159 -37.815 185 HD11 LEU 62 HD11 LEU 62 3.040 -8.619 -35.672 186 HD12 LEU 62 HD12 LEU 62 4.162 -9.967 -35.850 187 HD13 LEU 62 HD13 LEU 62 2.429 -10.230 -36.048 188 HD21 LEU 62 HD21 LEU 62 5.416 -9.799 -37.482 189 HD22 LEU 62 HD22 LEU 62 4.985 -9.215 -39.090 190 HD23 LEU 62 HD23 LEU 62 4.487 -10.827 -38.574 191 H GLY 63 H GLY 63 -0.284 -10.418 -39.577 192 HA2 GLY 63 HA2 GLY 63 0.029 -12.707 -41.097 193 HA3 GLY 63 HA3 GLY 63 -1.519 -11.940 -40.773 194 H ILE 64 H ILE 64 -1.339 -9.595 -42.149 195 HA ILE 64 HA ILE 64 -1.869 -10.420 -44.799 196 HB ILE 64 HB ILE 64 -1.384 -7.629 -43.749 197 HG12 ILE 64 HG12 ILE 64 -3.995 -9.071 -44.250 198 HG13 ILE 64 HG13 ILE 64 -3.251 -8.898 -42.664 199 HG21 ILE 64 HG21 ILE 64 -1.805 -8.629 -46.409 200 HG22 ILE 64 HG22 ILE 64 -3.138 -7.580 -45.929 201 HG23 ILE 64 HG23 ILE 64 -1.480 -6.982 -45.871 202 HD11 ILE 64 HD11 ILE 64 -5.109 -7.272 -43.319 203 HD12 ILE 64 HD12 ILE 64 -3.641 -6.607 -42.602 204 HD13 ILE 64 HD13 ILE 64 -3.895 -6.508 -44.344 205 H GLY 65 H GLY 65 0.904 -8.802 -43.304 206 HA2 GLY 65 HA2 GLY 65 2.331 -8.269 -45.672 207 HA3 GLY 65 HA3 GLY 65 3.034 -8.417 -44.068 208 H LEU 66 H LEU 66 2.620 -10.997 -43.399 209 HA LEU 66 HA LEU 66 4.626 -12.349 -44.840 210 HB2 LEU 66 HB2 LEU 66 2.577 -13.302 -42.856 211 HB3 LEU 66 HB3 LEU 66 3.813 -14.358 -43.536 212 HG LEU 66 HG LEU 66 4.322 -11.902 -41.857 213 HD11 LEU 66 HD11 LEU 66 3.346 -13.800 -40.617 214 HD12 LEU 66 HD12 LEU 66 5.002 -13.439 -40.130 215 HD13 LEU 66 HD13 LEU 66 4.672 -14.817 -41.178 216 HD21 LEU 66 HD21 LEU 66 6.653 -12.744 -41.838 217 HD22 LEU 66 HD22 LEU 66 6.111 -12.223 -43.434 218 HD23 LEU 66 HD23 LEU 66 6.195 -13.943 -43.049 219 H PHE 67 H PHE 67 1.155 -12.267 -45.149 220 HA PHE 67 HA PHE 67 0.951 -14.583 -46.816 221 HB2 PHE 67 HB2 PHE 67 -0.887 -13.411 -45.388 222 HB3 PHE 67 HB3 PHE 67 -1.076 -12.369 -46.795 223 HD1 PHE 67 HD2 PHE 67 -0.782 -16.017 -46.051 224 HD2 PHE 67 HD1 PHE 67 -2.714 -12.949 -48.281 225 HE1 PHE 67 HE2 PHE 67 -2.241 -17.700 -47.095 226 HE2 PHE 67 HE1 PHE 67 -4.177 -14.628 -49.328 227 HZ PHE 67 HZ PHE 67 -3.941 -17.007 -48.736 228 H MET 68 H MET 68 0.972 -11.082 -47.407 229 HA MET 68 HA MET 68 0.742 -11.329 -50.237 230 HB2 MET 68 HB2 MET 68 1.771 -8.990 -48.621 231 HB3 MET 68 HB3 MET 68 1.225 -8.942 -50.292 232 HG2 MET 68 HG2 MET 68 -0.656 -9.929 -48.216 233 HG3 MET 68 HG3 MET 68 -0.329 -8.200 -48.308 234 HE1 MET 68 HE1 MET 68 -2.810 -9.846 -48.436 235 HE2 MET 68 HE2 MET 68 -3.809 -9.036 -49.643 236 HE3 MET 68 HE3 MET 68 -3.176 -10.652 -49.962 237 H ARG 69 H ARG 69 3.270 -11.925 -48.120 238 HA ARG 69 HA ARG 69 5.467 -11.007 -49.677 239 HB2 ARG 69 HB2 ARG 69 5.103 -12.768 -47.308 240 HB3 ARG 69 HB3 ARG 69 6.601 -12.937 -48.214 241 HG2 ARG 69 HG2 ARG 69 6.344 -10.210 -47.921 242 HG3 ARG 69 HG3 ARG 69 5.756 -10.851 -46.385 243 HD2 ARG 69 HD2 ARG 69 8.441 -11.242 -47.674 244 HD3 ARG 69 HD3 ARG 69 8.073 -10.543 -46.097 245 HE ARG 69 HE ARG 69 7.151 -13.084 -45.895 246 HH11 ARG 69 HH11 ARG 69 10.202 -11.694 -46.831 247 HH12 ARG 69 HH12 ARG 69 11.137 -13.038 -46.263 248 HH21 ARG 69 HH21 ARG 69 8.370 -14.859 -45.143 249 HH22 ARG 69 HH22 ARG 69 10.094 -14.838 -45.304 250 H ARG 70 H ARG 70 3.272 -13.486 -50.160 251 HA ARG 70 HA ARG 70 5.107 -15.309 -51.469 252 HB2 ARG 70 HB2 ARG 70 2.090 -15.405 -51.486 253 HB3 ARG 70 HB3 ARG 70 3.206 -16.722 -51.821 254 HG2 ARG 70 HG2 ARG 70 3.995 -16.535 -49.452 255 HG3 ARG 70 HG3 ARG 70 2.672 -15.400 -49.174 256 HD2 ARG 70 HD2 ARG 70 1.953 -17.573 -48.475 257 HD3 ARG 70 HD3 ARG 70 1.091 -17.157 -49.956 258 HE ARG 70 HE ARG 70 2.157 -18.884 -51.032 259 HH11 ARG 70 HH11 ARG 70 3.698 -18.289 -47.967 260 HH12 ARG 70 HH12 ARG 70 4.680 -19.715 -48.037 261 HH21 ARG 70 HH21 ARG 70 3.445 -20.763 -51.135 262 HH22 ARG 70 HH22 ARG 70 4.536 -21.121 -49.840 263 H ARG 71 H ARG 71 2.576 -13.011 -52.369 264 HA ARG 71 HA ARG 71 2.954 -13.538 -55.195 265 HB2 ARG 71 HB2 ARG 71 1.065 -11.928 -53.553 266 HB3 ARG 71 HB3 ARG 71 1.340 -11.412 -55.212 267 HG2 ARG 71 HG2 ARG 71 0.807 -13.809 -55.877 268 HG3 ARG 71 HG3 ARG 71 0.203 -14.007 -54.231 269 HD2 ARG 71 HD2 ARG 71 -0.731 -11.733 -55.940 270 HD3 ARG 71 HD3 ARG 71 -1.445 -13.336 -56.112 271 HE ARG 71 HE ARG 71 -1.901 -11.473 -53.999 272 HH11 ARG 71 HH11 ARG 71 -1.745 -14.866 -54.766 273 HH12 ARG 71 HH12 ARG 71 -2.808 -15.338 -53.482 274 HH21 ARG 71 HH21 ARG 71 -3.303 -12.083 -52.306 275 HH22 ARG 71 HH22 ARG 71 -3.695 -13.754 -52.084 276 H HIS 72 H HIS 72 3.852 -11.137 -52.814 277 HA HIS 72 HA HIS 72 4.692 -9.102 -54.566 278 HB2 HIS 72 HB2 HIS 72 5.168 -9.785 -51.712 279 HB3 HIS 72 HB3 HIS 72 6.295 -8.662 -52.468 280 HD1 HIS 72 HD1 HIS 72 2.787 -8.499 -53.630 281 HD2 HIS 72 HD2 HIS 72 5.192 -6.626 -50.807 282 HE1 HIS 72 HE1 HIS 72 1.517 -6.448 -52.920 283 H ILE 73 H ILE 73 5.998 -12.165 -53.927 284 HA ILE 73 HA ILE 73 8.729 -11.841 -54.100 285 HB ILE 73 HB ILE 73 7.066 -14.027 -55.356 286 HG12 ILE 73 HG12 ILE 73 6.702 -13.848 -52.957 287 HG13 ILE 73 HG13 ILE 73 7.660 -15.283 -53.304 288 HG21 ILE 73 HG21 ILE 73 9.202 -14.119 -56.372 289 HG22 ILE 73 HG22 ILE 73 10.021 -13.818 -54.840 290 HG23 ILE 73 HG23 ILE 73 9.198 -15.354 -55.113 291 HD11 ILE 73 HD11 ILE 73 8.701 -12.654 -52.275 292 HD12 ILE 73 HD12 ILE 73 8.505 -14.144 -51.350 293 HD13 ILE 73 HD13 ILE 73 9.685 -14.067 -52.659 294 H VAL 74 H VAL 74 6.328 -11.475 -56.590 295 HA VAL 74 HA VAL 74 8.050 -11.653 -58.834 296 HB VAL 74 HB VAL 74 5.523 -10.015 -58.714 297 HG11 VAL 74 HG11 VAL 74 6.586 -9.675 -60.770 298 HG12 VAL 74 HG12 VAL 74 7.084 -11.363 -60.894 299 HG13 VAL 74 HG13 VAL 74 5.388 -10.926 -61.101 300 HG21 VAL 74 HG21 VAL 74 4.847 -12.502 -59.727 301 HG22 VAL 74 HG22 VAL 74 5.867 -12.871 -58.336 302 HG23 VAL 74 HG23 VAL 74 4.428 -11.871 -58.134 303 H ARG 75 H ARG 75 8.734 -9.910 -60.225 304 HA ARG 75 HA ARG 75 10.252 -7.970 -59.008 305 HB2 ARG 75 HB2 ARG 75 8.998 -7.845 -61.757 306 HB3 ARG 75 HB3 ARG 75 10.338 -6.848 -61.207 307 HG2 ARG 75 HG2 ARG 75 10.540 -9.830 -61.139 308 HG3 ARG 75 HG3 ARG 75 10.825 -8.938 -62.635 309 HD2 ARG 75 HD2 ARG 75 12.520 -7.577 -61.440 310 HD3 ARG 75 HD3 ARG 75 12.284 -8.594 -60.019 311 HE ARG 75 HE ARG 75 13.581 -10.196 -61.004 312 HH11 ARG 75 HH11 ARG 75 12.516 -7.951 -63.443 313 HH12 ARG 75 HH12 ARG 75 13.501 -8.639 -64.692 314 HH21 ARG 75 HH21 ARG 75 14.881 -11.111 -62.640 315 HH22 ARG 75 HH22 ARG 75 14.845 -10.437 -64.234 316 H LYS 76 H LYS 76 9.481 -6.549 -57.571 317 HA LYS 76 HA LYS 76 6.902 -5.443 -57.567 318 HB2 LYS 76 HB2 LYS 76 9.472 -4.549 -56.263 319 HB3 LYS 76 HB3 LYS 76 7.935 -3.739 -55.991 320 HG2 LYS 76 HG2 LYS 76 7.964 -5.157 -54.210 321 HG3 LYS 76 HG3 LYS 76 7.134 -6.171 -55.393 322 HD2 LYS 76 HD2 LYS 76 9.062 -7.446 -55.813 323 HD3 LYS 76 HD3 LYS 76 10.118 -6.253 -55.055 324 HE2 LYS 76 HE2 LYS 76 8.013 -7.437 -53.349 325 HE3 LYS 76 HE3 LYS 76 9.326 -8.508 -53.837 326 HZ1 LYS 76 HZ1 LYS 76 9.435 -6.076 -52.186 327 HZ2 LYS 76 HZ2 LYS 76 10.803 -6.550 -53.059 328 HZ3 LYS 76 HZ3 LYS 76 10.132 -7.591 -51.906 329 H ARG 77 H ARG 77 9.763 -4.573 -59.293 330 HA ARG 77 HA ARG 77 9.272 -1.862 -59.788 331 HB2 ARG 77 HB2 ARG 77 10.861 -4.005 -61.100 332 HB3 ARG 77 HB3 ARG 77 10.527 -2.562 -62.047 333 HG2 ARG 77 HG2 ARG 77 11.547 -1.177 -60.324 334 HG3 ARG 77 HG3 ARG 77 11.857 -2.613 -59.347 335 HD2 ARG 77 HD2 ARG 77 13.849 -1.878 -60.589 336 HD3 ARG 77 HD3 ARG 77 13.327 -3.497 -61.055 337 HE ARG 77 HE ARG 77 12.853 -2.711 -63.161 338 HH11 ARG 77 HH11 ARG 77 13.384 -0.029 -61.005 339 HH12 ARG 77 HH12 ARG 77 13.412 1.152 -62.272 340 HH21 ARG 77 HH21 ARG 77 12.887 -1.165 -64.837 341 HH22 ARG 77 HH22 ARG 77 13.128 0.506 -64.451 342 H THR 78 H THR 78 8.011 -4.765 -61.302 343 HA THR 78 HA THR 78 6.938 -3.761 -63.636 344 HB THR 78 HB THR 78 5.315 -5.689 -62.020 345 HG1 THR 78 HG1 THR 78 6.958 -6.999 -61.844 346 HG21 THR 78 HG21 THR 78 5.216 -6.820 -64.261 347 HG22 THR 78 HG22 THR 78 6.092 -5.440 -64.924 348 HG23 THR 78 HG23 THR 78 4.495 -5.212 -64.214 349 H LEU 79 H LEU 79 5.244 -4.046 -60.506 350 HA LEU 79 HA LEU 79 2.958 -2.610 -61.345 351 HB2 LEU 79 HB2 LEU 79 4.062 -3.537 -58.747 352 HB3 LEU 79 HB3 LEU 79 2.805 -2.302 -58.716 353 HG LEU 79 HG LEU 79 1.975 -4.631 -58.412 354 HD11 LEU 79 HD11 LEU 79 1.006 -2.607 -60.222 355 HD12 LEU 79 HD12 LEU 79 0.116 -3.630 -59.096 356 HD13 LEU 79 HD13 LEU 79 0.477 -4.214 -60.720 357 HD21 LEU 79 HD21 LEU 79 1.876 -6.109 -60.337 358 HD22 LEU 79 HD22 LEU 79 3.552 -5.735 -59.935 359 HD23 LEU 79 HD23 LEU 79 2.775 -4.940 -61.305 360 H ARG 80 H ARG 80 5.975 -1.651 -59.823 361 HA ARG 80 HA ARG 80 5.280 0.943 -59.047 362 HB2 ARG 80 HB2 ARG 80 7.876 -0.362 -59.801 363 HB3 ARG 80 HB3 ARG 80 7.815 1.362 -59.457 364 HG2 ARG 80 HG2 ARG 80 6.650 -0.566 -57.503 365 HG3 ARG 80 HG3 ARG 80 8.399 -0.338 -57.576 366 HD2 ARG 80 HD2 ARG 80 6.391 1.884 -57.228 367 HD3 ARG 80 HD3 ARG 80 7.267 1.113 -55.907 368 HE ARG 80 HE ARG 80 8.249 3.129 -57.647 369 HH11 ARG 80 HH11 ARG 80 9.206 0.274 -55.899 370 HH12 ARG 80 HH12 ARG 80 10.862 0.761 -55.752 371 HH21 ARG 80 HH21 ARG 80 10.427 3.780 -57.461 372 HH22 ARG 80 HH22 ARG 80 11.556 2.755 -56.640 373 H ARG 81 H ARG 81 6.761 -0.194 -62.078 374 HA ARG 81 HA ARG 81 6.915 2.307 -63.334 375 HB2 ARG 81 HB2 ARG 81 6.965 -0.527 -64.238 376 HB3 ARG 81 HB3 ARG 81 6.678 0.706 -65.458 377 HG2 ARG 81 HG2 ARG 81 8.793 1.798 -64.250 378 HG3 ARG 81 HG3 ARG 81 9.117 0.097 -63.909 379 HD2 ARG 81 HD2 ARG 81 8.773 1.421 -66.590 380 HD3 ARG 81 HD3 ARG 81 10.206 0.614 -65.955 381 HE ARG 81 HE ARG 81 8.263 -1.314 -65.981 382 HH11 ARG 81 HH11 ARG 81 9.699 0.803 -68.343 383 HH12 ARG 81 HH12 ARG 81 9.471 -0.299 -69.660 384 HH21 ARG 81 HH21 ARG 81 7.957 -2.773 -67.708 385 HH22 ARG 81 HH22 ARG 81 8.479 -2.332 -69.298 386 H LEU 82 H LEU 82 4.279 0.044 -62.982 387 HA LEU 82 HA LEU 82 2.595 1.132 -64.988 388 HB2 LEU 82 HB2 LEU 82 2.090 -0.560 -62.560 389 HB3 LEU 82 HB3 LEU 82 0.778 -0.013 -63.602 390 HG LEU 82 HG LEU 82 3.064 -1.484 -64.827 391 HD11 LEU 82 HD11 LEU 82 1.274 -3.474 -64.319 392 HD12 LEU 82 HD12 LEU 82 1.243 -2.565 -62.809 393 HD13 LEU 82 HD13 LEU 82 2.769 -3.201 -63.423 394 HD21 LEU 82 HD21 LEU 82 0.365 -2.182 -65.602 395 HD22 LEU 82 HD22 LEU 82 1.699 -1.573 -66.582 396 HD23 LEU 82 HD23 LEU 82 0.650 -0.446 -65.721 397 H LEU 83 H LEU 83 3.050 1.810 -61.563 398 HA LEU 83 HA LEU 83 0.826 3.472 -61.173 399 HB2 LEU 83 HB2 LEU 83 3.499 3.241 -59.846 400 HB3 LEU 83 HB3 LEU 83 2.374 4.513 -59.376 401 HG LEU 83 HG LEU 83 1.598 1.610 -59.328 402 HD11 LEU 83 HD11 LEU 83 3.496 1.672 -57.917 403 HD12 LEU 83 HD12 LEU 83 2.086 1.758 -56.862 404 HD13 LEU 83 HD13 LEU 83 3.013 3.217 -57.215 405 HD21 LEU 83 HD21 LEU 83 0.577 3.948 -57.728 406 HD22 LEU 83 HD22 LEU 83 -0.128 2.337 -57.859 407 HD23 LEU 83 HD23 LEU 83 -0.137 3.420 -59.252 408 H GLN 84 H GLN 84 4.034 4.126 -62.455 409 HA GLN 84 HA GLN 84 3.985 6.914 -62.416 410 HB2 GLN 84 HB2 GLN 84 5.321 4.964 -64.287 411 HB3 GLN 84 HB3 GLN 84 5.558 6.703 -64.409 412 HG2 GLN 84 HG2 GLN 84 6.277 6.616 -61.973 413 HG3 GLN 84 HG3 GLN 84 6.351 4.867 -62.176 414 HE21 GLN 84 HE21 GLN 84 7.585 4.220 -64.242 415 HE22 GLN 84 HE22 GLN 84 9.096 5.021 -64.481 416 H GLU 85 H GLU 85 2.600 4.627 -64.701 417 HA GLU 85 HA GLU 85 1.770 6.720 -66.519 418 HB2 GLU 85 HB2 GLU 85 1.677 3.750 -66.487 419 HB3 GLU 85 HB3 GLU 85 0.455 4.579 -67.442 420 HG2 GLU 85 HG2 GLU 85 3.347 5.266 -67.749 421 HG3 GLU 85 HG3 GLU 85 2.661 3.861 -68.563 422 H ARG 86 H ARG 86 0.441 4.894 -63.883 423 HA ARG 86 HA ARG 86 -2.304 5.460 -64.463 424 HB2 ARG 86 HB2 ARG 86 -0.940 4.517 -61.936 425 HB3 ARG 86 HB3 ARG 86 -2.683 4.652 -62.126 426 HG2 ARG 86 HG2 ARG 86 -2.789 2.884 -63.618 427 HG3 ARG 86 HG3 ARG 86 -1.078 3.005 -64.034 428 HD2 ARG 86 HD2 ARG 86 -1.667 1.043 -62.602 429 HD3 ARG 86 HD3 ARG 86 -0.425 2.098 -61.929 430 HE ARG 86 HE ARG 86 -3.011 2.825 -61.003 431 HH11 ARG 86 HH11 ARG 86 -0.465 0.490 -60.574 432 HH12 ARG 86 HH12 ARG 86 -0.879 0.147 -58.927 433 HH21 ARG 86 HH21 ARG 86 -3.566 2.383 -58.835 434 HH22 ARG 86 HH22 ARG 86 -2.643 1.224 -57.939 435 H GLU 87 H GLU 87 0.268 7.207 -63.047 436 HA GLU 87 HA GLU 87 0.409 9.184 -61.917 437 HB2 GLU 87 HB2 GLU 87 -2.200 10.066 -63.050 438 HB3 GLU 87 HB3 GLU 87 -0.671 10.927 -62.953 439 HG2 GLU 87 HG2 GLU 87 -1.329 8.700 -64.867 440 HG3 GLU 87 HG3 GLU 87 -1.250 10.418 -65.254 441 H LEU 88 H LEU 88 -0.407 7.414 -60.169 442 HA LEU 88 HA LEU 88 -2.840 8.431 -58.885 443 HB2 LEU 88 HB2 LEU 88 -2.147 5.894 -59.348 444 HB3 LEU 88 HB3 LEU 88 -1.374 6.106 -57.778 445 HG LEU 88 HG LEU 88 -3.512 5.118 -57.420 446 HD11 LEU 88 HD11 LEU 88 -4.415 6.590 -55.847 447 HD12 LEU 88 HD12 LEU 88 -3.951 8.015 -56.777 448 HD13 LEU 88 HD13 LEU 88 -2.718 7.058 -55.956 449 HD21 LEU 88 HD21 LEU 88 -5.262 5.479 -58.736 450 HD22 LEU 88 HD22 LEU 88 -4.278 6.607 -59.670 451 HD23 LEU 88 HD23 LEU 88 -5.267 7.196 -58.334 452 H VAL 89 H VAL 89 0.605 7.953 -58.368 453 HA VAL 89 HA VAL 89 0.483 9.846 -56.140 454 HB VAL 89 HB VAL 89 1.968 7.220 -55.962 455 HG11 VAL 89 HG11 VAL 89 2.290 7.973 -53.576 456 HG12 VAL 89 HG12 VAL 89 3.198 8.874 -54.791 457 HG13 VAL 89 HG13 VAL 89 1.734 9.565 -54.090 458 HG21 VAL 89 HG21 VAL 89 0.318 6.997 -53.953 459 HG22 VAL 89 HG22 VAL 89 -0.658 8.141 -54.874 460 HG23 VAL 89 HG23 VAL 89 -0.219 6.587 -55.582 461 H GLU 90 H GLU 90 1.598 11.452 -57.114 462 HA GLU 90 HA GLU 90 3.679 11.202 -58.936 463 HB2 GLU 90 HB2 GLU 90 3.091 13.416 -56.968 464 HB3 GLU 90 HB3 GLU 90 4.279 13.543 -58.257 465 HG2 GLU 90 HG2 GLU 90 2.687 13.614 -59.909 466 HG3 GLU 90 HG3 GLU 90 1.479 12.786 -58.929 467 H GLY 91 H GLY 91 3.806 11.512 -55.403 468 HA2 GLY 91 HA2 GLY 91 5.826 9.892 -54.765 469 HA3 GLY 91 HA3 GLY 91 6.706 11.264 -55.422 470 H GLY 92 H GLY 92 7.497 12.505 -53.866 471 HA2 GLY 92 HA2 GLY 92 7.029 14.166 -52.171 472 HA3 GLY 92 HA3 GLY 92 5.759 13.113 -51.563 Start of MODEL 10 1 H1 GLY 39 H GLY 39 1.046 -11.507 -9.296 2 HA2 GLY 39 HA2 GLY 39 3.154 -10.544 -7.461 3 HA3 GLY 39 HA3 GLY 39 3.123 -10.181 -9.180 4 H SER 40 H SER 40 3.129 -7.956 -8.874 5 HA SER 40 HA SER 40 0.530 -6.845 -8.151 6 HB2 SER 40 HB2 SER 40 1.832 -6.701 -6.078 7 HB3 SER 40 HB3 SER 40 3.129 -5.871 -6.937 8 HG SER 40 HG SER 40 1.582 -4.510 -5.761 9 H CYS 41 H CYS 41 -0.021 -5.895 -10.004 10 HA CYS 41 HA CYS 41 1.964 -4.152 -11.309 11 HB2 CYS 41 HB2 CYS 41 0.831 -4.656 -13.458 12 HB3 CYS 41 HB3 CYS 41 1.554 -6.080 -12.720 13 HG CYS 41 HG CYS 41 -1.355 -5.911 -13.913 14 H LYS 42 H LYS 42 1.125 -2.270 -12.375 15 HA LYS 42 HA LYS 42 -1.594 -1.483 -11.622 16 HB2 LYS 42 HB2 LYS 42 -0.635 0.809 -11.022 17 HB3 LYS 42 HB3 LYS 42 -0.393 -0.488 -9.859 18 HG2 LYS 42 HG2 LYS 42 1.882 -0.780 -10.577 19 HG3 LYS 42 HG3 LYS 42 1.658 0.390 -11.880 20 HD2 LYS 42 HD2 LYS 42 1.060 2.058 -10.036 21 HD3 LYS 42 HD3 LYS 42 1.742 0.877 -8.916 22 HE2 LYS 42 HE2 LYS 42 3.853 0.938 -10.209 23 HE3 LYS 42 HE3 LYS 42 3.160 2.199 -11.228 24 HZ1 LYS 42 HZ1 LYS 42 3.270 3.738 -9.560 25 HZ2 LYS 42 HZ2 LYS 42 4.634 2.809 -9.189 26 HZ3 LYS 42 HZ3 LYS 42 3.200 2.589 -8.319 27 H ILE 43 H ILE 43 -2.578 -0.978 -13.457 28 HA ILE 43 HA ILE 43 -1.070 0.537 -15.486 29 HB ILE 43 HB ILE 43 -3.206 -1.538 -15.994 30 HG12 ILE 43 HG12 ILE 43 -0.211 -1.538 -16.321 31 HG13 ILE 43 HG13 ILE 43 -1.215 -2.698 -15.459 32 HG21 ILE 43 HG21 ILE 43 -1.565 0.002 -17.997 33 HG22 ILE 43 HG22 ILE 43 -2.866 -1.139 -18.331 34 HG23 ILE 43 HG23 ILE 43 -3.224 0.403 -17.554 35 HD11 ILE 43 HD11 ILE 43 -2.172 -3.381 -17.655 36 HD12 ILE 43 HD12 ILE 43 -0.976 -2.343 -18.433 37 HD13 ILE 43 HD13 ILE 43 -0.452 -3.719 -17.463 38 HA PRO 44 HA PRO 44 -4.227 3.585 -14.958 39 HB2 PRO 44 HB2 PRO 44 -3.673 5.061 -17.168 40 HB3 PRO 44 HB3 PRO 44 -2.668 5.095 -15.714 41 HG2 PRO 44 HG2 PRO 44 -2.255 3.587 -18.267 42 HG3 PRO 44 HG3 PRO 44 -1.075 4.484 -17.293 43 HD2 PRO 44 HD2 PRO 44 -1.299 1.787 -17.192 44 HD3 PRO 44 HD3 PRO 44 -0.821 2.759 -15.785 45 H SER 45 H SER 45 -5.651 4.857 -16.816 46 HA SER 45 HA SER 45 -7.085 2.696 -18.213 47 HB2 SER 45 HB2 SER 45 -9.047 4.351 -18.084 48 HB3 SER 45 HB3 SER 45 -8.553 3.570 -16.582 49 HG SER 45 HG SER 45 -7.383 6.018 -17.266 50 H ILE 46 H ILE 46 -5.817 5.958 -18.476 51 HA ILE 46 HA ILE 46 -6.828 6.499 -21.073 52 HB ILE 46 HB ILE 46 -4.429 7.695 -19.680 53 HG12 ILE 46 HG12 ILE 46 -7.216 8.834 -19.920 54 HG13 ILE 46 HG13 ILE 46 -6.682 7.896 -18.529 55 HG21 ILE 46 HG21 ILE 46 -4.942 9.624 -21.251 56 HG22 ILE 46 HG22 ILE 46 -4.204 8.193 -21.968 57 HG23 ILE 46 HG23 ILE 46 -5.933 8.482 -22.159 58 HD11 ILE 46 HD11 ILE 46 -5.921 10.635 -19.379 59 HD12 ILE 46 HD12 ILE 46 -6.307 10.011 -17.775 60 HD13 ILE 46 HD13 ILE 46 -4.739 9.663 -18.504 61 H ALA 47 H ALA 47 -4.402 4.425 -19.984 62 HA ALA 47 HA ALA 47 -2.951 4.505 -22.532 63 HB1 ALA 47 HB1 ALA 47 -1.744 4.551 -20.295 64 HB2 ALA 47 HB2 ALA 47 -2.207 2.856 -20.133 65 HB3 ALA 47 HB3 ALA 47 -1.186 3.366 -21.477 66 H THR 48 H THR 48 -5.426 2.826 -20.988 67 HA THR 48 HA THR 48 -4.993 0.185 -21.848 68 HB THR 48 HB THR 48 -7.394 -0.163 -21.514 69 HG1 THR 48 HG1 THR 48 -8.602 1.774 -20.810 70 HG21 THR 48 HG21 THR 48 -7.496 0.986 -19.151 71 HG22 THR 48 HG22 THR 48 -5.809 1.367 -19.500 72 HG23 THR 48 HG23 THR 48 -6.346 -0.312 -19.468 73 H GLY 49 H GLY 49 -7.065 2.716 -23.288 74 HA2 GLY 49 HA2 GLY 49 -7.926 1.382 -25.531 75 HA3 GLY 49 HA3 GLY 49 -7.625 3.113 -25.483 76 H MET 50 H MET 50 -4.853 3.105 -25.121 77 HA MET 50 HA MET 50 -3.960 2.841 -27.770 78 HB2 MET 50 HB2 MET 50 -2.593 3.294 -25.141 79 HB3 MET 50 HB3 MET 50 -1.634 3.009 -26.588 80 HG2 MET 50 HG2 MET 50 -3.764 5.098 -26.604 81 HG3 MET 50 HG3 MET 50 -2.203 5.431 -25.857 82 HE1 MET 50 HE1 MET 50 -3.390 5.753 -30.084 83 HE2 MET 50 HE2 MET 50 -3.567 4.061 -29.621 84 HE3 MET 50 HE3 MET 50 -4.352 5.322 -28.670 85 H VAL 51 H VAL 51 -3.416 0.800 -24.915 86 HA VAL 51 HA VAL 51 -1.688 -1.060 -26.055 87 HB VAL 51 HB VAL 51 -3.803 -1.670 -23.988 88 HG11 VAL 51 HG11 VAL 51 -1.088 -2.923 -24.307 89 HG12 VAL 51 HG12 VAL 51 -2.441 -3.480 -23.321 90 HG13 VAL 51 HG13 VAL 51 -2.534 -3.571 -25.080 91 HG21 VAL 51 HG21 VAL 51 -2.760 -0.297 -22.590 92 HG22 VAL 51 HG22 VAL 51 -1.270 -1.215 -22.807 93 HG23 VAL 51 HG23 VAL 51 -1.621 0.156 -23.859 94 H GLY 52 H GLY 52 -5.224 -1.378 -25.642 95 HA2 GLY 52 HA2 GLY 52 -5.608 -3.752 -26.981 96 HA3 GLY 52 HA3 GLY 52 -6.790 -2.453 -26.937 97 H ALA 53 H ALA 53 -5.437 -0.501 -28.389 98 HA ALA 53 HA ALA 53 -5.957 -1.384 -31.050 99 HB1 ALA 53 HB1 ALA 53 -5.021 0.931 -31.621 100 HB2 ALA 53 HB2 ALA 53 -6.489 0.854 -30.646 101 HB3 ALA 53 HB3 ALA 53 -4.935 1.180 -29.877 102 H LEU 54 H LEU 54 -3.060 -0.867 -29.138 103 HA LEU 54 HA LEU 54 -1.152 -0.898 -31.179 104 HB2 LEU 54 HB2 LEU 54 -1.154 -1.485 -28.272 105 HB3 LEU 54 HB3 LEU 54 0.229 -2.043 -29.210 106 HG LEU 54 HG LEU 54 -0.712 0.819 -29.045 107 HD11 LEU 54 HD11 LEU 54 1.177 -0.780 -27.428 108 HD12 LEU 54 HD12 LEU 54 0.199 0.618 -26.983 109 HD13 LEU 54 HD13 LEU 54 1.694 0.842 -27.890 110 HD21 LEU 54 HD21 LEU 54 0.378 0.517 -31.115 111 HD22 LEU 54 HD22 LEU 54 1.617 -0.515 -30.401 112 HD23 LEU 54 HD23 LEU 54 1.587 1.210 -30.033 113 H LEU 55 H LEU 55 -2.462 -3.585 -29.252 114 HA LEU 55 HA LEU 55 -0.965 -5.600 -30.568 115 HB2 LEU 55 HB2 LEU 55 -3.618 -6.096 -29.275 116 HB3 LEU 55 HB3 LEU 55 -2.201 -7.142 -29.336 117 HG LEU 55 HG LEU 55 -2.684 -4.753 -27.576 118 HD11 LEU 55 HD11 LEU 55 -3.446 -6.489 -26.352 119 HD12 LEU 55 HD12 LEU 55 -1.732 -6.704 -26.002 120 HD13 LEU 55 HD13 LEU 55 -2.506 -7.681 -27.250 121 HD21 LEU 55 HD21 LEU 55 -0.222 -5.714 -26.865 122 HD22 LEU 55 HD22 LEU 55 -0.517 -4.253 -27.809 123 HD23 LEU 55 HD23 LEU 55 -0.158 -5.775 -28.627 124 H LEU 56 H LEU 56 -4.326 -4.497 -30.928 125 HA LEU 56 HA LEU 56 -5.199 -6.257 -32.858 126 HB2 LEU 56 HB2 LEU 56 -6.332 -4.207 -31.633 127 HB3 LEU 56 HB3 LEU 56 -5.934 -3.388 -33.142 128 HG LEU 56 HG LEU 56 -7.178 -5.400 -34.240 129 HD11 LEU 56 HD11 LEU 56 -7.801 -6.897 -32.679 130 HD12 LEU 56 HD12 LEU 56 -9.166 -5.801 -32.469 131 HD13 LEU 56 HD13 LEU 56 -7.785 -5.709 -31.376 132 HD21 LEU 56 HD21 LEU 56 -8.811 -3.919 -34.630 133 HD22 LEU 56 HD22 LEU 56 -7.847 -2.818 -33.645 134 HD23 LEU 56 HD23 LEU 56 -9.174 -3.723 -32.916 135 H LEU 57 H LEU 57 -3.827 -3.023 -33.495 136 HA LEU 57 HA LEU 57 -3.680 -3.227 -36.258 137 HB2 LEU 57 HB2 LEU 57 -1.886 -1.743 -34.347 138 HB3 LEU 57 HB3 LEU 57 -1.874 -1.518 -36.095 139 HG LEU 57 HG LEU 57 -4.132 -0.868 -34.203 140 HD11 LEU 57 HD11 LEU 57 -3.399 1.236 -34.201 141 HD12 LEU 57 HD12 LEU 57 -3.087 1.219 -35.936 142 HD13 LEU 57 HD13 LEU 57 -1.879 0.586 -34.818 143 HD21 LEU 57 HD21 LEU 57 -4.148 -1.441 -37.027 144 HD22 LEU 57 HD22 LEU 57 -4.635 0.226 -36.720 145 HD23 LEU 57 HD23 LEU 57 -5.496 -1.103 -35.941 146 H LEU 58 H LEU 58 -1.296 -4.168 -33.810 147 HA LEU 58 HA LEU 58 0.812 -4.858 -35.476 148 HB2 LEU 58 HB2 LEU 58 -0.085 -5.679 -32.772 149 HB3 LEU 58 HB3 LEU 58 1.131 -6.682 -33.560 150 HG LEU 58 HG LEU 58 1.423 -3.722 -33.060 151 HD11 LEU 58 HD11 LEU 58 3.259 -4.920 -31.478 152 HD12 LEU 58 HD12 LEU 58 1.923 -6.066 -31.361 153 HD13 LEU 58 HD13 LEU 58 1.675 -4.375 -30.925 154 HD21 LEU 58 HD21 LEU 58 3.146 -5.833 -34.279 155 HD22 LEU 58 HD22 LEU 58 3.892 -4.493 -33.407 156 HD23 LEU 58 HD23 LEU 58 2.859 -4.173 -34.801 157 H VAL 59 H VAL 59 -1.819 -6.940 -34.281 158 HA VAL 59 HA VAL 59 -1.013 -9.244 -35.707 159 HB VAL 59 HB VAL 59 -3.824 -8.594 -34.824 160 HG11 VAL 59 HG11 VAL 59 -4.348 -10.699 -35.341 161 HG12 VAL 59 HG12 VAL 59 -2.832 -10.745 -36.243 162 HG13 VAL 59 HG13 VAL 59 -2.889 -11.333 -34.581 163 HG21 VAL 59 HG21 VAL 59 -1.429 -9.028 -33.254 164 HG22 VAL 59 HG22 VAL 59 -3.037 -8.517 -32.739 165 HG23 VAL 59 HG23 VAL 59 -2.669 -10.233 -32.908 166 H VAL 60 H VAL 60 -3.466 -6.765 -36.396 167 HA VAL 60 HA VAL 60 -4.497 -7.808 -38.748 168 HB VAL 60 HB VAL 60 -4.076 -4.895 -38.064 169 HG11 VAL 60 HG11 VAL 60 -4.536 -4.920 -40.353 170 HG12 VAL 60 HG12 VAL 60 -5.671 -6.263 -40.204 171 HG13 VAL 60 HG13 VAL 60 -6.112 -4.663 -39.606 172 HG21 VAL 60 HG21 VAL 60 -5.793 -5.043 -36.653 173 HG22 VAL 60 HG22 VAL 60 -6.771 -5.920 -37.830 174 HG23 VAL 60 HG23 VAL 60 -5.650 -6.796 -36.787 175 H ALA 61 H ALA 61 -1.913 -5.361 -38.460 176 HA ALA 61 HA ALA 61 -1.245 -5.325 -41.188 177 HB1 ALA 61 HB1 ALA 61 1.000 -4.431 -40.253 178 HB2 ALA 61 HB2 ALA 61 -0.472 -3.491 -40.005 179 HB3 ALA 61 HB3 ALA 61 0.174 -4.479 -38.695 180 H LEU 62 H LEU 62 -0.187 -7.369 -38.543 181 HA LEU 62 HA LEU 62 2.048 -8.527 -39.814 182 HB2 LEU 62 HB2 LEU 62 0.325 -9.196 -37.497 183 HB3 LEU 62 HB3 LEU 62 1.313 -10.490 -38.170 184 HG LEU 62 HG LEU 62 2.462 -7.854 -37.279 185 HD11 LEU 62 HD11 LEU 62 1.208 -9.446 -35.542 186 HD12 LEU 62 HD12 LEU 62 2.682 -8.564 -35.142 187 HD13 LEU 62 HD13 LEU 62 2.769 -10.266 -35.596 188 HD21 LEU 62 HD21 LEU 62 3.562 -10.508 -38.116 189 HD22 LEU 62 HD22 LEU 62 4.481 -9.459 -37.037 190 HD23 LEU 62 HD23 LEU 62 4.023 -8.889 -38.643 191 H GLY 63 H GLY 63 -1.202 -9.921 -39.299 192 HA2 GLY 63 HA2 GLY 63 -0.913 -12.185 -40.858 193 HA3 GLY 63 HA3 GLY 63 -2.441 -11.359 -40.593 194 H ILE 64 H ILE 64 -2.086 -8.993 -41.901 195 HA ILE 64 HA ILE 64 -2.512 -9.743 -44.595 196 HB ILE 64 HB ILE 64 -1.993 -6.993 -43.457 197 HG12 ILE 64 HG12 ILE 64 -4.623 -8.334 -44.114 198 HG13 ILE 64 HG13 ILE 64 -3.949 -8.226 -42.492 199 HG21 ILE 64 HG21 ILE 64 -3.651 -6.919 -45.744 200 HG22 ILE 64 HG22 ILE 64 -2.032 -6.250 -45.546 201 HG23 ILE 64 HG23 ILE 64 -2.239 -7.895 -46.148 202 HD11 ILE 64 HD11 ILE 64 -5.701 -6.528 -43.074 203 HD12 ILE 64 HD12 ILE 64 -4.183 -5.876 -42.457 204 HD13 ILE 64 HD13 ILE 64 -4.531 -5.816 -44.185 205 H GLY 65 H GLY 65 0.224 -8.236 -42.923 206 HA2 GLY 65 HA2 GLY 65 1.791 -7.700 -45.198 207 HA3 GLY 65 HA3 GLY 65 2.403 -7.907 -43.563 208 H LEU 66 H LEU 66 1.845 -10.497 -42.995 209 HA LEU 66 HA LEU 66 3.894 -11.878 -44.351 210 HB2 LEU 66 HB2 LEU 66 1.739 -12.718 -42.445 211 HB3 LEU 66 HB3 LEU 66 2.822 -13.902 -43.173 212 HG LEU 66 HG LEU 66 3.768 -11.558 -41.530 213 HD11 LEU 66 HD11 LEU 66 3.349 -14.417 -40.668 214 HD12 LEU 66 HD12 LEU 66 2.363 -13.040 -40.176 215 HD13 LEU 66 HD13 LEU 66 4.058 -13.125 -39.699 216 HD21 LEU 66 HD21 LEU 66 5.655 -12.178 -42.608 217 HD22 LEU 66 HD22 LEU 66 5.054 -13.798 -42.964 218 HD23 LEU 66 HD23 LEU 66 5.686 -13.423 -41.360 219 H PHE 67 H PHE 67 0.438 -11.704 -44.827 220 HA PHE 67 HA PHE 67 0.279 -13.953 -46.590 221 HB2 PHE 67 HB2 PHE 67 -1.603 -12.789 -45.199 222 HB3 PHE 67 HB3 PHE 67 -1.722 -11.719 -46.592 223 HD1 PHE 67 HD2 PHE 67 -1.640 -15.353 -45.768 224 HD2 PHE 67 HD1 PHE 67 -3.154 -12.283 -48.298 225 HE1 PHE 67 HE2 PHE 67 -3.070 -17.000 -46.906 226 HE2 PHE 67 HE1 PHE 67 -4.587 -13.926 -49.440 227 HZ PHE 67 HZ PHE 67 -4.545 -16.288 -48.745 228 H MET 68 H MET 68 0.354 -10.432 -47.047 229 HA MET 68 HA MET 68 0.265 -10.575 -49.892 230 HB2 MET 68 HB2 MET 68 1.216 -8.302 -48.141 231 HB3 MET 68 HB3 MET 68 0.761 -8.189 -49.836 232 HG2 MET 68 HG2 MET 68 -1.231 -9.238 -47.896 233 HG3 MET 68 HG3 MET 68 -0.897 -7.508 -47.920 234 HE1 MET 68 HE1 MET 68 -3.643 -9.915 -49.798 235 HE2 MET 68 HE2 MET 68 -3.367 -9.153 -48.232 236 HE3 MET 68 HE3 MET 68 -4.303 -8.313 -49.468 237 H ARG 69 H ARG 69 2.684 -11.247 -47.668 238 HA ARG 69 HA ARG 69 4.919 -10.359 -49.260 239 HB2 ARG 69 HB2 ARG 69 4.563 -11.774 -46.665 240 HB3 ARG 69 HB3 ARG 69 6.090 -11.990 -47.509 241 HG2 ARG 69 HG2 ARG 69 6.574 -9.675 -47.417 242 HG3 ARG 69 HG3 ARG 69 4.936 -9.287 -46.886 243 HD2 ARG 69 HD2 ARG 69 6.344 -9.160 -44.974 244 HD3 ARG 69 HD3 ARG 69 5.388 -10.634 -44.820 245 HE ARG 69 HE ARG 69 7.682 -11.463 -46.020 246 HH11 ARG 69 HH11 ARG 69 6.961 -9.683 -43.117 247 HH12 ARG 69 HH12 ARG 69 8.354 -10.257 -42.263 248 HH21 ARG 69 HH21 ARG 69 9.520 -12.226 -44.906 249 HH22 ARG 69 HH22 ARG 69 9.810 -11.703 -43.282 250 H ARG 70 H ARG 70 2.792 -12.910 -49.461 251 HA ARG 70 HA ARG 70 4.612 -14.971 -50.272 252 HB2 ARG 70 HB2 ARG 70 1.647 -14.817 -50.821 253 HB3 ARG 70 HB3 ARG 70 2.655 -16.258 -50.803 254 HG2 ARG 70 HG2 ARG 70 2.204 -14.540 -48.379 255 HG3 ARG 70 HG3 ARG 70 1.187 -15.921 -48.795 256 HD2 ARG 70 HD2 ARG 70 3.520 -17.146 -48.949 257 HD3 ARG 70 HD3 ARG 70 4.014 -15.846 -47.865 258 HE ARG 70 HE ARG 70 1.621 -17.082 -46.964 259 HH11 ARG 70 HH11 ARG 70 5.071 -17.516 -47.134 260 HH12 ARG 70 HH12 ARG 70 5.142 -18.536 -45.735 261 HH21 ARG 70 HH21 ARG 70 1.702 -18.423 -45.121 262 HH22 ARG 70 HH22 ARG 70 3.225 -19.052 -44.591 263 H ARG 71 H ARG 71 2.564 -12.612 -51.916 264 HA ARG 71 HA ARG 71 3.522 -13.550 -54.516 265 HB2 ARG 71 HB2 ARG 71 1.224 -11.910 -53.583 266 HB3 ARG 71 HB3 ARG 71 1.868 -11.559 -55.181 267 HG2 ARG 71 HG2 ARG 71 0.998 -13.415 -56.069 268 HG3 ARG 71 HG3 ARG 71 1.444 -14.405 -54.678 269 HD2 ARG 71 HD2 ARG 71 -0.582 -14.204 -53.745 270 HD3 ARG 71 HD3 ARG 71 -0.676 -12.481 -54.110 271 HE ARG 71 HE ARG 71 -1.882 -14.590 -55.572 272 HH11 ARG 71 HH11 ARG 71 -0.327 -11.500 -55.963 273 HH12 ARG 71 HH12 ARG 71 -1.153 -11.124 -57.439 274 HH21 ARG 71 HH21 ARG 71 -2.976 -14.107 -57.514 275 HH22 ARG 71 HH22 ARG 71 -2.660 -12.608 -58.320 276 H HIS 72 H HIS 72 3.881 -10.945 -52.259 277 HA HIS 72 HA HIS 72 4.914 -8.975 -53.984 278 HB2 HIS 72 HB2 HIS 72 4.949 -9.470 -51.052 279 HB3 HIS 72 HB3 HIS 72 6.141 -8.342 -51.690 280 HD1 HIS 72 HD1 HIS 72 4.664 -6.653 -50.138 281 HD2 HIS 72 HD2 HIS 72 2.904 -8.028 -53.641 282 HE1 HIS 72 HE1 HIS 72 2.766 -5.070 -50.603 283 H ILE 73 H ILE 73 6.212 -11.933 -52.954 284 HA ILE 73 HA ILE 73 8.914 -11.518 -52.694 285 HB ILE 73 HB ILE 73 7.585 -13.801 -54.160 286 HG12 ILE 73 HG12 ILE 73 6.727 -13.594 -51.904 287 HG13 ILE 73 HG13 ILE 73 7.823 -14.970 -51.973 288 HG21 ILE 73 HG21 ILE 73 9.696 -14.322 -54.702 289 HG22 ILE 73 HG22 ILE 73 10.377 -13.208 -53.518 290 HG23 ILE 73 HG23 ILE 73 9.842 -14.811 -53.014 291 HD11 ILE 73 HD11 ILE 73 8.475 -12.242 -50.885 292 HD12 ILE 73 HD12 ILE 73 8.151 -13.697 -49.941 293 HD13 ILE 73 HD13 ILE 73 9.583 -13.611 -50.966 294 H VAL 74 H VAL 74 6.970 -11.372 -55.586 295 HA VAL 74 HA VAL 74 8.996 -11.579 -57.518 296 HB VAL 74 HB VAL 74 6.535 -9.860 -57.794 297 HG11 VAL 74 HG11 VAL 74 8.421 -11.206 -59.687 298 HG12 VAL 74 HG12 VAL 74 6.759 -10.865 -60.174 299 HG13 VAL 74 HG13 VAL 74 7.827 -9.546 -59.691 300 HG21 VAL 74 HG21 VAL 74 5.291 -11.668 -57.427 301 HG22 VAL 74 HG22 VAL 74 5.993 -12.368 -58.886 302 HG23 VAL 74 HG23 VAL 74 6.718 -12.699 -57.313 303 H ARG 75 H ARG 75 9.917 -9.879 -58.844 304 HA ARG 75 HA ARG 75 11.376 -8.005 -57.505 305 HB2 ARG 75 HB2 ARG 75 10.331 -7.730 -60.330 306 HB3 ARG 75 HB3 ARG 75 11.708 -6.870 -59.654 307 HG2 ARG 75 HG2 ARG 75 11.743 -9.835 -59.561 308 HG3 ARG 75 HG3 ARG 75 11.996 -9.046 -61.119 309 HD2 ARG 75 HD2 ARG 75 13.558 -8.465 -58.604 310 HD3 ARG 75 HD3 ARG 75 14.104 -9.511 -59.914 311 HE ARG 75 HE ARG 75 14.113 -6.644 -59.873 312 HH11 ARG 75 HH11 ARG 75 13.993 -9.461 -61.914 313 HH12 ARG 75 HH12 ARG 75 14.648 -8.648 -63.296 314 HH21 ARG 75 HH21 ARG 75 14.977 -5.562 -61.686 315 HH22 ARG 75 HH22 ARG 75 15.208 -6.431 -63.166 316 H LYS 76 H LYS 76 10.690 -6.456 -56.187 317 HA LYS 76 HA LYS 76 8.156 -5.329 -56.108 318 HB2 LYS 76 HB2 LYS 76 10.697 -3.949 -55.234 319 HB3 LYS 76 HB3 LYS 76 9.073 -3.672 -54.619 320 HG2 LYS 76 HG2 LYS 76 10.730 -6.161 -54.269 321 HG3 LYS 76 HG3 LYS 76 10.331 -4.967 -53.032 322 HD2 LYS 76 HD2 LYS 76 7.915 -5.516 -53.411 323 HD3 LYS 76 HD3 LYS 76 8.442 -6.838 -54.455 324 HE2 LYS 76 HE2 LYS 76 7.938 -7.586 -52.162 325 HE3 LYS 76 HE3 LYS 76 9.618 -7.872 -52.613 326 HZ1 LYS 76 HZ1 LYS 76 8.791 -6.630 -50.357 327 HZ2 LYS 76 HZ2 LYS 76 9.190 -5.324 -51.355 328 HZ3 LYS 76 HZ3 LYS 76 10.344 -6.515 -51.019 329 H ARG 77 H ARG 77 10.873 -4.549 -58.116 330 HA ARG 77 HA ARG 77 10.216 -1.927 -58.849 331 HB2 ARG 77 HB2 ARG 77 11.846 -4.115 -60.028 332 HB3 ARG 77 HB3 ARG 77 11.387 -2.794 -61.094 333 HG2 ARG 77 HG2 ARG 77 13.537 -2.316 -60.180 334 HG3 ARG 77 HG3 ARG 77 12.371 -1.208 -59.453 335 HD2 ARG 77 HD2 ARG 77 12.421 -2.307 -57.403 336 HD3 ARG 77 HD3 ARG 77 13.073 -3.787 -58.104 337 HE ARG 77 HE ARG 77 15.164 -2.955 -57.756 338 HH11 ARG 77 HH11 ARG 77 12.911 -0.302 -57.793 339 HH12 ARG 77 HH12 ARG 77 14.101 0.885 -57.370 340 HH21 ARG 77 HH21 ARG 77 16.739 -1.403 -57.198 341 HH22 ARG 77 HH22 ARG 77 16.278 0.257 -57.032 342 H THR 78 H THR 78 9.058 -5.031 -60.016 343 HA THR 78 HA THR 78 7.801 -4.307 -62.363 344 HB THR 78 HB THR 78 6.410 -6.183 -60.486 345 HG1 THR 78 HG1 THR 78 8.867 -6.690 -61.846 346 HG21 THR 78 HG21 THR 78 6.249 -7.503 -62.626 347 HG22 THR 78 HG22 THR 78 6.954 -6.113 -63.451 348 HG23 THR 78 HG23 THR 78 5.400 -5.958 -62.633 349 H LEU 79 H LEU 79 6.300 -4.409 -59.126 350 HA LEU 79 HA LEU 79 3.825 -3.377 -59.799 351 HB2 LEU 79 HB2 LEU 79 5.366 -2.894 -57.254 352 HB3 LEU 79 HB3 LEU 79 3.628 -2.692 -57.463 353 HG LEU 79 HG LEU 79 4.867 -5.363 -57.967 354 HD11 LEU 79 HD11 LEU 79 5.328 -4.077 -55.589 355 HD12 LEU 79 HD12 LEU 79 5.308 -5.823 -55.829 356 HD13 LEU 79 HD13 LEU 79 3.859 -4.995 -55.258 357 HD21 LEU 79 HD21 LEU 79 2.246 -4.737 -56.656 358 HD22 LEU 79 HD22 LEU 79 2.730 -6.180 -57.548 359 HD23 LEU 79 HD23 LEU 79 2.423 -4.671 -58.409 360 H ARG 80 H ARG 80 6.860 -1.710 -59.258 361 HA ARG 80 HA ARG 80 5.728 0.914 -59.183 362 HB2 ARG 80 HB2 ARG 80 8.504 -0.192 -59.415 363 HB3 ARG 80 HB3 ARG 80 8.217 1.515 -59.720 364 HG2 ARG 80 HG2 ARG 80 7.102 0.375 -57.225 365 HG3 ARG 80 HG3 ARG 80 8.852 0.580 -57.322 366 HD2 ARG 80 HD2 ARG 80 8.153 2.965 -58.231 367 HD3 ARG 80 HD3 ARG 80 6.689 2.621 -57.312 368 HE ARG 80 HE ARG 80 9.286 3.244 -56.262 369 HH11 ARG 80 HH11 ARG 80 6.262 1.640 -55.626 370 HH12 ARG 80 HH12 ARG 80 6.416 1.752 -53.903 371 HH21 ARG 80 HH21 ARG 80 9.499 3.398 -53.996 372 HH22 ARG 80 HH22 ARG 80 8.257 2.753 -52.978 373 H ARG 81 H ARG 81 7.097 -1.150 -61.682 374 HA ARG 81 HA ARG 81 7.275 0.785 -63.720 375 HB2 ARG 81 HB2 ARG 81 7.000 -2.215 -63.777 376 HB3 ARG 81 HB3 ARG 81 7.133 -1.259 -65.247 377 HG2 ARG 81 HG2 ARG 81 9.174 -0.950 -63.093 378 HG3 ARG 81 HG3 ARG 81 9.249 -2.331 -64.189 379 HD2 ARG 81 HD2 ARG 81 10.513 -0.868 -65.385 380 HD3 ARG 81 HD3 ARG 81 8.924 -0.416 -66.000 381 HE ARG 81 HE ARG 81 9.230 1.636 -65.066 382 HH11 ARG 81 HH11 ARG 81 11.266 -0.643 -63.399 383 HH12 ARG 81 HH12 ARG 81 12.013 0.557 -62.398 384 HH21 ARG 81 HH21 ARG 81 10.206 3.226 -63.754 385 HH22 ARG 81 HH22 ARG 81 11.409 2.758 -62.600 386 H LEU 82 H LEU 82 4.676 -1.419 -62.768 387 HA LEU 82 HA LEU 82 2.927 -0.764 -64.897 388 HB2 LEU 82 HB2 LEU 82 2.522 -1.994 -62.190 389 HB3 LEU 82 HB3 LEU 82 1.168 -1.675 -63.272 390 HG LEU 82 HG LEU 82 3.458 -3.281 -64.299 391 HD11 LEU 82 HD11 LEU 82 3.183 -4.420 -62.270 392 HD12 LEU 82 HD12 LEU 82 2.203 -5.319 -63.427 393 HD13 LEU 82 HD13 LEU 82 1.432 -4.214 -62.290 394 HD21 LEU 82 HD21 LEU 82 0.550 -2.938 -64.831 395 HD22 LEU 82 HD22 LEU 82 1.302 -4.487 -65.216 396 HD23 LEU 82 HD23 LEU 82 1.906 -3.004 -65.957 397 H LEU 83 H LEU 83 3.463 0.597 -61.704 398 HA LEU 83 HA LEU 83 1.180 2.208 -61.527 399 HB2 LEU 83 HB2 LEU 83 3.928 2.372 -60.353 400 HB3 LEU 83 HB3 LEU 83 2.764 3.669 -60.087 401 HG LEU 83 HG LEU 83 2.199 0.801 -59.370 402 HD11 LEU 83 HD11 LEU 83 3.553 2.957 -57.780 403 HD12 LEU 83 HD12 LEU 83 4.070 1.292 -58.048 404 HD13 LEU 83 HD13 LEU 83 2.684 1.628 -57.011 405 HD21 LEU 83 HD21 LEU 83 0.162 1.779 -59.266 406 HD22 LEU 83 HD22 LEU 83 0.826 3.401 -59.069 407 HD23 LEU 83 HD23 LEU 83 0.754 2.303 -57.690 408 H GLN 84 H GLN 84 4.277 2.729 -63.110 409 HA GLN 84 HA GLN 84 4.090 5.453 -63.640 410 HB2 GLN 84 HB2 GLN 84 5.503 3.159 -64.901 411 HB3 GLN 84 HB3 GLN 84 5.402 4.654 -65.822 412 HG2 GLN 84 HG2 GLN 84 6.342 5.817 -63.786 413 HG3 GLN 84 HG3 GLN 84 6.681 4.211 -63.143 414 HE21 GLN 84 HE21 GLN 84 7.472 2.890 -65.414 415 HE22 GLN 84 HE22 GLN 84 8.950 3.571 -65.994 416 H GLU 85 H GLU 85 2.751 2.700 -65.401 417 HA GLU 85 HA GLU 85 1.692 4.327 -67.519 418 HB2 GLU 85 HB2 GLU 85 1.644 1.445 -66.796 419 HB3 GLU 85 HB3 GLU 85 0.344 2.034 -67.822 420 HG2 GLU 85 HG2 GLU 85 1.831 2.676 -69.522 421 HG3 GLU 85 HG3 GLU 85 3.231 2.536 -68.460 422 H ARG 86 H ARG 86 0.566 3.111 -64.458 423 HA ARG 86 HA ARG 86 -2.213 3.515 -64.926 424 HB2 ARG 86 HB2 ARG 86 -0.581 3.197 -62.410 425 HB3 ARG 86 HB3 ARG 86 -2.325 3.423 -62.384 426 HG2 ARG 86 HG2 ARG 86 -1.235 1.260 -64.097 427 HG3 ARG 86 HG3 ARG 86 -1.221 1.026 -62.348 428 HD2 ARG 86 HD2 ARG 86 -3.707 1.843 -62.539 429 HD3 ARG 86 HD3 ARG 86 -3.530 1.317 -64.212 430 HE ARG 86 HE ARG 86 -2.617 -0.780 -62.700 431 HH11 ARG 86 HH11 ARG 86 -5.585 1.024 -62.935 432 HH12 ARG 86 HH12 ARG 86 -6.586 -0.311 -62.466 433 HH21 ARG 86 HH21 ARG 86 -3.923 -2.544 -62.081 434 HH22 ARG 86 HH22 ARG 86 -5.639 -2.340 -61.980 435 H GLU 87 H GLU 87 0.127 5.340 -62.941 436 HA GLU 87 HA GLU 87 -1.691 7.608 -62.863 437 HB2 GLU 87 HB2 GLU 87 0.895 6.936 -61.494 438 HB3 GLU 87 HB3 GLU 87 0.285 8.585 -61.487 439 HG2 GLU 87 HG2 GLU 87 -1.485 6.342 -60.630 440 HG3 GLU 87 HG3 GLU 87 -0.271 6.985 -59.525 441 H LEU 88 H LEU 88 -1.653 9.137 -64.359 442 HA LEU 88 HA LEU 88 0.492 9.312 -66.265 443 HB2 LEU 88 HB2 LEU 88 -2.132 10.683 -65.878 444 HB3 LEU 88 HB3 LEU 88 -0.941 11.378 -66.977 445 HG LEU 88 HG LEU 88 -0.949 9.020 -68.068 446 HD11 LEU 88 HD11 LEU 88 -3.219 7.976 -67.906 447 HD12 LEU 88 HD12 LEU 88 -3.523 9.004 -66.507 448 HD13 LEU 88 HD13 LEU 88 -2.222 7.814 -66.460 449 HD21 LEU 88 HD21 LEU 88 -2.832 11.282 -68.332 450 HD22 LEU 88 HD22 LEU 88 -3.265 9.792 -69.172 451 HD23 LEU 88 HD23 LEU 88 -1.724 10.580 -69.511 452 H VAL 89 H VAL 89 -0.720 11.274 -63.590 453 HA VAL 89 HA VAL 89 1.811 12.767 -63.638 454 HB VAL 89 HB VAL 89 -0.906 14.012 -63.198 455 HG11 VAL 89 HG11 VAL 89 0.467 15.260 -61.834 456 HG12 VAL 89 HG12 VAL 89 1.886 15.011 -62.854 457 HG13 VAL 89 HG13 VAL 89 0.617 16.127 -63.362 458 HG21 VAL 89 HG21 VAL 89 -0.651 13.634 -65.522 459 HG22 VAL 89 HG22 VAL 89 -0.254 15.331 -65.252 460 HG23 VAL 89 HG23 VAL 89 1.035 14.152 -65.494 461 H GLU 90 H GLU 90 2.715 11.846 -61.865 462 HA GLU 90 HA GLU 90 1.137 11.688 -59.401 463 HB2 GLU 90 HB2 GLU 90 2.525 9.728 -60.319 464 HB3 GLU 90 HB3 GLU 90 3.931 10.633 -59.774 465 HG2 GLU 90 HG2 GLU 90 3.420 10.360 -57.552 466 HG3 GLU 90 HG3 GLU 90 1.703 10.112 -57.867 467 H GLY 91 H GLY 91 1.495 12.978 -57.693 468 HA2 GLY 91 HA2 GLY 91 3.400 14.080 -56.407 469 HA3 GLY 91 HA3 GLY 91 3.710 14.914 -57.922 470 H GLY 92 H GLY 92 3.094 16.963 -57.752 471 HA2 GLY 92 HA2 GLY 92 1.118 17.843 -55.895 472 HA3 GLY 92 HA3 GLY 92 1.900 18.827 -57.123
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